A0A096LWS2_POEFO Loading...

Anthrax toxin receptor

AlphaFold DB , UniProt , Accession A0A096LWS2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 500 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
1M36.7Very low38.5Very low244 Ų244152.5 Ų152.5100%1.20280%0.796SS**  0103.20-165171.7-174.900107.9
2F37Very low39.2Very low196 Ų196152.9 Ų152.986%0.8679%0.79SS**  trans-54.6143.4169.9-84.1-101.9000110.9
3K30.9Very low39.6Very low178 Ų178148.8 Ų148.877%0.77477%0.77SS**  174.2127.3107.4-97.2170.6-179.6170.10113.8
4K40.3Very low40.2Very low176 Ų176143.9 Ų143.977%0.76575%0.746SS**  trans64109.2135.1-73.1177.9167-175.20118.4
5L33.5Very low40.7Very low162 Ų162140.7 Ų140.785%0.84873%0.73SS**  -16068.4124.1-112.2132000111.1
6S36.9Very low41.2Very low123 Ų123140.8 Ų140.886%0.8673%0.726SS**  trans-89.993.4154.242.20000107.6
7R33.9Very low41.8Very low222 Ų222138.6 Ų138.684%0.83871%0.712SS**  trans-103.5109.4169.9-151.1175.3-165.1178.22.2107.1
8C38Very low42.6Very low107 Ų107141.3 Ų141.372%0.72371%0.711SS**PPolyproline II helixtrans-66.1139.2168.3-73.30000109T10C8-T10 PolarHBondContact O-N 3.19Å
9P38.5Very low43.2Very low95 Ų95143.4 Ų143.462%0.61771%0.71SS**PPolyproline II helixtrans-63.3132.4174.825.2-30.3000109.5
10T49.8Very low43.8Very low85 Ų85142.6 Ų142.652%0.52171%0.707SS.*PPolyproline II helixtrans-77.5159.1176.646.40000110.3C8 E12 D13C8-T10 PolarHBondContact O-N 3.19Å; T10-E12 PolarHBondContact O-N 3.12Å; T10-E12 VanDerWaalsContact O-N 3.07Å; T10-D13 PolarHBondContact O-N 3.05Å
11A47.5Very low44.3Very low90 Ų90143.9 Ų143.974%0.74471%0.705SS**Hα-helixtrans-61.3-17.3-176.100000114.3
12E47Very low45.6Very low157 Ų157134.9 Ų134.973%0.73467%0.669SS**Hα-helixtrans-75-38.2176.4-76.9179.5142.600113.1T10 N14 L15 Q16T10-E12 PolarHBondContact O-N 3.12Å; T10-E12 VanDerWaalsContact O-N 3.07Å; E12-N14 VanDerWaalsContact C-N 3.29Å; E12-N14 PolarHBondContact O-N 2.93Å; E12-L15 WeakPolarHBondContact O-CB 3.15Å; E12-L15 PolarHBondContact O-N 3.28Å; E12-L15 VanDerWaalsContact O-N 3.09Å; E12-Q16 PolarHBondContact O-N 3.39Å
13D44.4Very low47Very low99 Ų99128.5 Ų128.553%0.52965%0.653SS.*Hα-helixtrans-64.1-37.1177.7-78.3-26.6000111.4T10 L15 Q16 E17T10-D13 PolarHBondContact O-N 3.05Å; D13-L15 VanDerWaalsContact C-N 3.29Å; D13-L15 PolarHBondContact O-N 2.84Å; D13-Q16 PolarHBondContact O-N 2.91Å; D13-E17 PolarHBondContact O-N 2.77Å
14N48Very low48.6Very low81 Ų81122.2 Ų122.243%0.43363%0.633SS.*Hα-helixtrans-66.8-26.7175.2-97.8-61000113.5E12 R18E12-N14 VanDerWaalsContact C-N 3.29Å; E12-N14 PolarHBondContact O-N 2.93Å; N14-R18 WeakPolarHBondContact O-CB 3.46Å; N14-R18 VanDerWaalsContact O-CG 3.29Å; N14-R18 WeakPolarHBondContact O-CG 3.42Å; N14-R18 PolarHBondContact O-N 2.85Å; N14-R18 VanDerWaalsContact O-N 3.15Å
15L48.4Very low49.7Very low95 Ų95116.4 Ų116.450%0.49762%0.619SS.*Hα-helixtrans-79-36.5177.9-162.475.9000110.9E12 D13 R19E12-L15 WeakPolarHBondContact O-CB 3.15Å; E12-L15 PolarHBondContact O-N 3.28Å; E12-L15 VanDerWaalsContact O-N 3.09Å; D13-L15 VanDerWaalsContact C-N 3.29Å; D13-L15 PolarHBondContact O-N 2.84Å; L15-R19 WeakPolarHBondContact O-CG 3.24Å; L15-R19 PolarHBondContact O-N 3.45Å
16Q48.5Very low51.4Low142 Ų142112.6 Ų112.666%0.66460%0.602SS**Hα-helixtrans-69.3-42.5175.8-166134.9-29.900111.4E12 D13 R19 L20E12-Q16 PolarHBondContact O-N 3.39Å; D13-Q16 PolarHBondContact O-N 2.91Å; Q16-R19 PolarHBondContact O-N 2.77Å; Q16-L20 PolarHBondContact O-N 2.93Å
17E51.3Low52.7Low105 Ų105109 Ų10949%0.49158%0.58SS.*Hα-helixtrans-61.3-46.5173.2-128.9-169.4137.800111.2D13 R19 L20 W21D13-E17 PolarHBondContact O-N 2.77Å; E17-R19 VanDerWaalsContact C-N 3.3Å; E17-R19 PolarHBondContact O-N 3.17Å; E17-L20 WeakPolarHBondContact O-CB 3.45Å; E17-L20 PolarHBondContact O-N 2.87Å; E17-L20 VanDerWaalsContact O-N 3.11Å; E17-W21 PolarHBondContact O-N 3.3Å; E17-W21 PolarHBondContact OE1-NE1 3.38Å
18R55.6Low54.1Low187 Ų187103.3 Ų103.371%0.70657%0.569SS**Hα-helixtrans-60.7-35.4176.7-84.4178.8170.6-169.4-1.1113.4N14 A22N14-R18 WeakPolarHBondContact O-CB 3.46Å; N14-R18 VanDerWaalsContact O-CG 3.29Å; N14-R18 WeakPolarHBondContact O-CG 3.42Å; N14-R18 PolarHBondContact O-N 2.85Å; N14-R18 VanDerWaalsContact O-N 3.15Å; R18-A22 WeakPolarHBondContact O-CB 2.99Å; R18-A22 PolarHBondContact O-N 2.83Å
19R55.3Low55.1Low180 Ų180102.2 Ų102.268%0.67956%0.559SS**Hα-helixtrans-70-37.9174.5-76178.5180-170.51.3111.7L15 Q16 E17 A22 A23L15-R19 WeakPolarHBondContact O-CG 3.24Å; L15-R19 PolarHBondContact O-N 3.45Å; Q16-R19 PolarHBondContact O-N 2.77Å; E17-R19 VanDerWaalsContact C-N 3.3Å; E17-R19 PolarHBondContact O-N 3.17Å; R19-A22 PolarHBondContact O-N 2.92Å; R19-A23 VanDerWaalsContact O-CB 3.3Å; R19-A23 WeakPolarHBondContact O-CB 3.31Å; R19-A23 PolarHBondContact O-N 2.79Å
20L54.6Low55.9Low127 Ų127103.7 Ų103.767%0.66556%0.556SS**Hα-helixtrans-66.3-44.4175.6-137.683.2000111.6Q16 E17 A23 A24Q16-L20 PolarHBondContact O-N 2.93Å; E17-L20 WeakPolarHBondContact O-CB 3.45Å; E17-L20 PolarHBondContact O-N 2.87Å; E17-L20 VanDerWaalsContact O-N 3.11Å; L20-A23 PolarHBondContact O-N 2.97Å; L20-A24 WeakPolarHBondContact O-CB 3.39Å; L20-A24 PolarHBondContact O-N 3.34Å
21W53.8Low56.2Low171 Ų171105.6 Ų105.665%0.64856%0.562SS**Hα-helixtrans-68.5-35.4176.4-70.2115.5000112.5E17 A25E17-W21 PolarHBondContact O-N 3.3Å; E17-W21 PolarHBondContact OE1-NE1 3.38Å; W21-A25 VanDerWaalsContact O-CB 3.25Å; W21-A25 WeakPolarHBondContact O-CB 3.46Å; W21-A25 PolarHBondContact O-N 3.37Å
22A64.7Low56.4Low54 Ų54103.3 Ų103.345%0.44655%0.548SS..Hα-helixtrans-68.4-42.1173.100000111.9R18 R19 A25 V26R18-A22 WeakPolarHBondContact O-CB 2.99Å; R18-A22 PolarHBondContact O-N 2.83Å; R19-A22 PolarHBondContact O-N 2.92Å; A22-A25 PolarHBondContact O-N 3.47Å; A22-V26 WeakPolarHBondContact O-CB 3.48Å; A22-V26 VanDerWaalsContact O-CG2 3.25Å; A22-V26 WeakPolarHBondContact O-CG2 3.33Å; A22-V26 PolarHBondContact O-N 2.69Å
23A65.4Low56.5Low63 Ų63102.2 Ų102.252%0.52155%0.546SS..Hα-helixtrans-64.7-41.1175.200000111.8R19 L20 V26 A27R19-A23 VanDerWaalsContact O-CB 3.3Å; R19-A23 WeakPolarHBondContact O-CB 3.31Å; R19-A23 PolarHBondContact O-N 2.79Å; L20-A23 PolarHBondContact O-N 2.97Å; A23-V26 PolarHBondContact O-N 3.13Å; A23-A27 WeakPolarHBondContact O-CB 3.47Å; A23-A27 PolarHBondContact O-N 2.83Å
24A64.4Low56.7Low45 Ų45104.3 Ų104.337%0.37255%0.551SS.*Hα-helixtrans-66-41.217500000112.2L20 A27 V28L20-A24 WeakPolarHBondContact O-CB 3.39Å; L20-A24 PolarHBondContact O-N 3.34Å; A24-A27 PolarHBondContact O-N 3.3Å; A24-V28 WeakPolarHBondContact O-CB 3.49Å; A24-V28 VanDerWaalsContact O-CG2 3.26Å; A24-V28 WeakPolarHBondContact O-CG2 3.46Å; A24-V28 PolarHBondContact O-N 2.97Å
25A64.5Low56.6Low55 Ų55104.2 Ų104.246%0.45556%0.561SS.*Hα-helixtrans-65.1-39.9176.300000112.1W21 A22 V28 T29W21-A25 VanDerWaalsContact O-CB 3.25Å; W21-A25 WeakPolarHBondContact O-CB 3.46Å; W21-A25 PolarHBondContact O-N 3.37Å; A22-A25 PolarHBondContact O-N 3.47Å; A25-V28 PolarHBondContact O-N 2.83Å; A25-T29 WeakPolarHBondContact O-CG2 3.48Å; A25-T29 PolarHBondContact O-N 2.01Å; A25-T29 PolarHBondContact O-OG1 3.19Å
26V67.9Low56.4Low82 Ų82103.5 Ų103.550%0.49757%0.569SS.*Hα-helixtrans-67.8-38.1174.7173.20000111.4A22 A23 T29 F30A22-V26 WeakPolarHBondContact O-CB 3.48Å; A22-V26 VanDerWaalsContact O-CG2 3.25Å; A22-V26 WeakPolarHBondContact O-CG2 3.33Å; A22-V26 PolarHBondContact O-N 2.69Å; A23-V26 PolarHBondContact O-N 3.13Å; V26-T29 WeakPolarHBondContact CA-OG1 3.02Å; V26-T29 PolarHBondContact O-N 2.7Å; V26-T29 PolarHBondContact O-OG1 3.26Å; V26-T29 VanDerWaalsContact O-OG1 3.04Å; V26-F30 HydrophobicContact CG1-CD2 4.04Å; V26-F30 HydrophobicContact CG1-CE2 4.47Å; V26-F30 WeakPolarHBondContact O-CB 3.31Å; V26-F30 PolarHBondContact O-N 3.32Å
27A64.4Low56.1Low48 Ų48101 Ų10140%0.39756%0.564SS.*Hα-helixtrans-65.8-41.217500000111.8A23 A24 F30 L31A23-A27 WeakPolarHBondContact O-CB 3.47Å; A23-A27 PolarHBondContact O-N 2.83Å; A24-A27 PolarHBondContact O-N 3.3Å; A27-F30 PolarHBondContact O-N 2.91Å; A27-L31 WeakPolarHBondContact O-CB 3.15Å; A27-L31 WeakPolarHBondContact O-CD1 3.27Å; A27-L31 PolarHBondContact O-N 3.37Å
28V64.7Low55.5Low102 Ų10299 Ų9962%0.61857%0.572SS**Hα-helixtrans-69.6-36.3177.41720000111.6A24 A25 G32A24-V28 WeakPolarHBondContact O-CB 3.49Å; A24-V28 VanDerWaalsContact O-CG2 3.26Å; A24-V28 WeakPolarHBondContact O-CG2 3.46Å; A24-V28 PolarHBondContact O-N 2.97Å; A25-V28 PolarHBondContact O-N 2.83Å; V28-G32 PolarHBondContact O-N 2.8Å
29T58.4Low54.6Low83 Ų83101.8 Ų101.851%0.50958%0.582SS.*Hα-helixtrans-71.6-34.6172.851.40000112.3A25 V26 G32 L33A25-T29 WeakPolarHBondContact O-CG2 3.48Å; A25-T29 PolarHBondContact O-N 2.01Å; A25-T29 PolarHBondContact O-OG1 3.19Å; V26-T29 WeakPolarHBondContact CA-OG1 3.02Å; V26-T29 PolarHBondContact O-N 2.7Å; V26-T29 PolarHBondContact O-OG1 3.26Å; V26-T29 VanDerWaalsContact O-OG1 3.04Å; T29-G32 PolarHBondContact O-N 3.04Å; T29-L33 WeakPolarHBondContact O-CD1 3.3Å; T29-L33 PolarHBondContact O-N 3.44Å
30F55.6Low53.8Low126 Ų12697.5 Ų97.555%0.55359%0.586SS**Hα-helixtrans-67.3-41.8171.3-104.7-88.7000112.3V26 A27 G32 L33 F34V26-F30 HydrophobicContact CG1-CD2 4.04Å; V26-F30 HydrophobicContact CG1-CE2 4.47Å; V26-F30 WeakPolarHBondContact O-CB 3.31Å; V26-F30 PolarHBondContact O-N 3.32Å; A27-F30 PolarHBondContact O-N 2.91Å; F30-G32 VanDerWaalsContact C-N 3.32Å; F30-G32 PolarHBondContact O-N 3.4Å; F30-L33 PolarHBondContact O-N 3.46Å; F30-F34 HydrophobicContact CD1-CD2 4.23Å; F30-F34 AromaticContact CD1-CE2 3.87Å; F30-F34 HydrophobicContact CD1-CE2 3.87Å; F30-F34 HydrophobicContact CE1-CE2 4.35Å; F30-F34 VanDerWaalsContact O-CD2 3.31Å; F30-F34 WeakPolarHBondContact O-CD2 3.01Å; F30-F34 PolarHBondContact O-N 3.23Å
31L55.5Low53.4Low125 Ų125100 Ų10065%0.65459%0.594SS**Hα-helixtrans-63.9-36.2173-96.4139.1000112.1A27 F34 A35A27-L31 WeakPolarHBondContact O-CB 3.15Å; A27-L31 WeakPolarHBondContact O-CD1 3.27Å; A27-L31 PolarHBondContact O-N 3.37Å; L31-F34 PolarHBondContact O-N 3.09Å; L31-A35 WeakPolarHBondContact O-CB 3.19Å; L31-A35 PolarHBondContact O-N 3.3Å
32G51.6Low53.3Low43 Ų4397.9 Ų97.944%0.44359%0.591SS.*Hα-helixtrans-68.6-34.3173.200000113.6V28 T29 F30 A36V28-G32 PolarHBondContact O-N 2.8Å; T29-G32 PolarHBondContact O-N 3.04Å; F30-G32 VanDerWaalsContact C-N 3.32Å; F30-G32 PolarHBondContact O-N 3.4Å; G32-A36 PolarHBondContact O-N 2.97Å
33L49.5Very low52.8Low133 Ų13397.4 Ų97.470%0.69659%0.587SS**Hα-helixtrans-73.3-34.6173.2-97.595.5000112.7T29 F30 A36 T37T29-L33 WeakPolarHBondContact O-CD1 3.3Å; T29-L33 PolarHBondContact O-N 3.44Å; F30-L33 PolarHBondContact O-N 3.46Å; L33-A36 PolarHBondContact O-N 3.38Å; L33-T37 PolarHBondContact O-N 3.31Å
34F47.7Very low52.5Low144 Ų14496.9 Ų96.963%0.63258%0.58SS**Hα-helixtrans-76.7-21.3174-85.2-72.4000113.6F30 L31 A36 T37F30-F34 HydrophobicContact CD1-CD2 4.23Å; F30-F34 AromaticContact CD1-CE2 3.87Å; F30-F34 HydrophobicContact CD1-CE2 3.87Å; F30-F34 HydrophobicContact CE1-CE2 4.35Å; F30-F34 VanDerWaalsContact O-CD2 3.31Å; F30-F34 WeakPolarHBondContact O-CD2 3.01Å; F30-F34 PolarHBondContact O-N 3.23Å; L31-F34 PolarHBondContact O-N 3.09Å; F34-A36 VanDerWaalsContact C-N 3.29Å; F34-T37 PolarHBondContact O-OG1 2.97Å
35A47.4Very low52.4Low78 Ų7895.2 Ų95.265%0.64557%0.565SS**SBendtrans-77.1-16.1170.700000113.1L31L31-A35 WeakPolarHBondContact O-CB 3.19Å; L31-A35 PolarHBondContact O-N 3.3Å
36A43.4Very low52.1Low81 Ų8198.8 Ų98.867%0.66957%0.572SS**SBendtrans-96.1-9.6178.500000113.7G32 L33 F34 G38G32-A36 PolarHBondContact O-N 2.97Å; L33-A36 PolarHBondContact O-N 3.38Å; F34-A36 VanDerWaalsContact C-N 3.29Å; A36-G38 PolarHBondContact O-N 3.37Å
37T43.3Very low51.8Low88 Ų8895.7 Ų95.754%0.5456%0.557SS.*SBendtrans-6995.2157.1390000106.5L33 F34 W39L33-T37 PolarHBondContact O-N 3.31Å; F34-T37 PolarHBondContact O-OG1 2.97Å; T37-W39 PolarHBondContact O-N 3.49Å
38G38.2Very low52Low64 Ų6496 Ų9666%0.6656%0.559SS**  trans-40.8128.317500000108.8A36 A40A36-G38 PolarHBondContact O-N 3.37Å; G38-A40 PolarHBondContact O-N 2.9Å
39W36.2Very low52.6Low245 Ų24591.5 Ų91.593%0.92853%0.531SS*.  trans-54.9102.8155.8-6834.6000103.1T37 E41T37-W39 PolarHBondContact O-N 3.49Å; W39-E41 PolarHBondContact O-N 3.47Å
40A38.8Very low54Low91 Ų9187.7 Ų87.775%0.75251%0.508SS*.  trans-63.589.6159.100000102.7G38 E42G38-A40 PolarHBondContact O-N 2.9Å; A40-E42 VanDerWaalsContact C-N 3.35Å; A40-E42 PolarHBondContact O-N 2.96Å
41E46.8Very low55.6Low179 Ų17982 Ų8284%0.83648%0.483SS*.  trans-55.8106.8174.4-155.2178.3-162.500104.5W39 A43W39-E41 PolarHBondContact O-N 3.47Å; E41-A43 PolarHBondContact O-N 3.46Å
42E51.6Low57.5Low126 Ų12676.1 Ų76.159%0.58945%0.452SS*.  trans-64.2106.1177.2-78.1-176.2130.900105.8A40 S44 R78A40-E42 VanDerWaalsContact C-N 3.35Å; A40-E42 PolarHBondContact O-N 2.96Å; E42-S44 PolarHBondContact O-N 2.78Å; E42-R78 IonicContact OE1-CZ 2.66Å; E42-R78 VanDerWaalsContact OE1-CZ 3.31Å; E42-R78 IonicContact OE1-NH1 2.68Å; E42-R78 PolarHBondContact OE1-NH1 2.95Å; E42-R78 IonicContact OE1-NH2 3.42Å; E42-R78 PolarHBondContact OE1-NH2 3.38Å; E42-R78 IonicContact OE2-NH1 3.87Å; E42-R78 PolarHBondContact OE2-NH1 3.25Å
43A54.3Low59.6Low44 Ų4474 Ų7436%0.36443%0.431SS..  trans-54.9112.5-178.500000108.4E41E41-A43 PolarHBondContact O-N 3.46Å
44S57.3Low61.9Low53 Ų5367.7 Ų67.737%0.37140%0.398SS..  trans-125.3138.9177.7770000108.3E42 H46E42-S44 PolarHBondContact O-N 2.78Å; S44-H46 PolarHBondContact OG-NE2 3.15Å
45C62.6Low64.2Low9 Ų960.9 Ų60.96%0.06137%0.368CS..  trans-97.5125.7-177.2-54.20000110F79 L219 C223 E225C45-F79 HydrophobicContact CB-CD1 4.2Å; C45-F79 HydrophobicContact CB-CE1 3.98Å; C45-L219 VanDerWaalsContact SG-CD2 3.52Å; C45-C223 HydrophobicContact CB-CB 3.74Å; C45-C223 WeakPolarHBondContact CB-SG 3.43Å; C45-C223 WeakPolarHBondContact SG-CB 3.34Å; C45-C223 CovalentContact SG-SG 2Å; C45-C223 PolarHBondContact SG-SG 3.34Å; C45-E225 WeakPolarHBondContact CA-OE1 3.47Å
46H58.8Low66.5Low130 Ų13057.1 Ų57.160%0.60234%0.337SS*.  trans-100-10179.2-64.9-62.8000113S44 E225S44-H46 PolarHBondContact OG-NE2 3.15Å; H46-E225 PolarHBondContact N-OE1 3.41Å
47G62.8Low69Low17 Ų1754.6 Ų54.618%0.17531%0.31CS..SBendtrans-64.3161.1173.500000114.5Y49 E225G47-Y49 VanDerWaalsContact CA-CE2 3.41Å; G47-Y49 WeakPolarHBondContact O-CD2 3.39Å; G47-E225 PolarHBondContact N-OE1 2.95Å; G47-E225 VanDerWaalsContact N-OE1 3.15Å
48A67.2Low71.4Confident54 Ų5450.5 Ų50.545%0.44629%0.285SS..  trans-91.1112.6174.100000109.5R83A48-R83 WeakPolarHBondContact CA-O 3.06Å; A48-R83 HydrophobicContact CB-CB 3.76Å
49Y77.4Confident73.9Confident9 Ų949.3 Ų49.34%0.03527%0.273CS..EExtended strand (participates in β ladder)trans-134.7147.9-175.8-59.6-75.9000111.3G47 M84 R85 I147 C223 T224G47-Y49 VanDerWaalsContact CA-CE2 3.41Å; G47-Y49 WeakPolarHBondContact O-CD2 3.39Å; Y49-M84 WeakPolarHBondContact O-CA 3.39Å; Y49-R85 PolarHBondContact O-N 3.33Å; Y49-I147 HydrophobicContact CD1-CD1 3.89Å; Y49-I147 HydrophobicContact CG-CD1 4.29Å; Y49-C223 HydrophobicContact CE2-CB 4.36Å; Y49-T224 WeakPolarHBondContact CE1-OG1 3.26Å; Y49-T224 WeakPolarHBondContact OH-CA 3.48Å; Y49-T224 PolarHBondContact OH-N 3.43Å; Y49-T224 PolarHBondContact OH-O 3.24Å; Y49-T224 PolarHBondContact OH-OG1 3.11Å
50D87.3Confident76.5Confident2 Ų240.8 Ų40.81%0.01125%0.25CS..EExtended strand (participates in β ladder)trans-103.6114.5166.9-58.7-30.8000109.2Y52 R85 L101 Q140 S144 S145 I147D50-Y52 HydrophobicContact CB-CD2 4.46Å; D50-Y52 HydrophobicContact CB-CE2 3.71Å; D50-R85 WeakPolarHBondContact CA-O 3.4Å; D50-R85 IonicContact OD1-CZ 3.19Å; D50-R85 IonicContact OD1-NE 2.71Å; D50-R85 PolarHBondContact OD1-NE 3.18Å; D50-R85 IonicContact OD1-NH2 2.85Å; D50-R85 PolarHBondContact OD1-NH2 3.29Å; D50-R85 IonicContact OD2-CZ 3.73Å; D50-R85 IonicContact OD2-NE 3.98Å; D50-R85 IonicContact OD2-NH2 2.73Å; D50-R85 PolarHBondContact OD2-NH2 2.9Å; D50-L101 HydrophobicContact CB-CD1 3.93Å; D50-L101 HydrophobicContact CB-CD2 4.24Å; D50-Q140 PolarHBondContact OD2-NE2 2.82Å; D50-Q140 PolarHBondContact OD2-OE1 3.39Å; D50-S144 VanDerWaalsContact OD2-CB 3.31Å; D50-S144 WeakPolarHBondContact OD2-CB 3.33Å; D50-S144 PolarHBondContact OD2-OG 2.77Å; D50-S145 PolarHBondContact N-O 2.82Å; D50-I147 PolarHBondContact O-N 2.91Å
51L89.7Confident78.9Confident8 Ų836.4 Ų36.44%0.04222%0.215CC..EExtended strand (participates in β ladder)trans-103.9116.9-178.8-175.663.7000110.3F53 L75 F79 R85 V86 S87 I147 L149L51-F53 HydrophobicContact CD2-CD2 4.29Å; L51-F53 HydrophobicContact CD2-CE1 4.38Å; L51-F53 HydrophobicContact CD2-CE2 3.5Å; L51-F53 VanDerWaalsContact CD2-CE2 3.5Å; L51-F53 HydrophobicContact CD2-CZ 3.6Å; L51-F53 HydrophobicContact CG-CD2 4.24Å; L51-F53 HydrophobicContact CG-CE2 3.93Å; L51-F53 HydrophobicContact CG-CZ 4.35Å; L51-L75 HydrophobicContact CD2-CD2 3.45Å; L51-L75 VanDerWaalsContact CD2-CD2 3.45Å; L51-F79 HydrophobicContact CD2-CD2 4.3Å; L51-F79 HydrophobicContact CD2-CE2 4.04Å; L51-R85 PolarHBondContact N-O 2.75Å; L51-V86 CarbonylContact O-C 3.59Å; L51-V86 WeakPolarHBondContact O-CA 3.14Å; L51-S87 PolarHBondContact O-N 3.16Å; L51-I147 HydrophobicContact CD1-CB 4.07Å; L51-I147 HydrophobicContact CD1-CG2 3.83Å; L51-L149 HydrophobicContact CD1-CB 4.22Å
52Y95Very high80.9Confident0 Ų030.9 Ų30.90%020%0.195CC..EExtended strand (participates in β ladder)trans-104.8108.5176.3-61.9-92.8000109.1D50 S87 L101 A133 Q136 I137 Q140 I147 I148 L149D50-Y52 HydrophobicContact CB-CD2 4.46Å; D50-Y52 HydrophobicContact CB-CE2 3.71Å; Y52-S87 VanDerWaalsContact CD1-CB 3.49Å; Y52-L101 HydrophobicContact CE1-CB 4.34Å; Y52-L101 HydrophobicContact CE1-CD1 4.13Å; Y52-L101 HydrophobicContact CE2-CD1 4.44Å; Y52-L101 WeakPolarHBondContact OH-CD2 3.23Å; Y52-A133 HydrophobicContact CD1-CB 4.17Å; Y52-A133 HydrophobicContact CG-CB 4.29Å; Y52-Q136 HydrophobicContact CE1-CB 3.69Å; Y52-I137 HydrophobicContact CD2-CD1 4.12Å; Y52-I137 HydrophobicContact CD2-CG1 4.15Å; Y52-I137 HydrophobicContact CE1-CG1 4.16Å; Y52-I137 HydrophobicContact CE2-CD1 3.84Å; Y52-I137 HydrophobicContact CE2-CG1 3.41Å; Y52-I137 VanDerWaalsContact CE2-CG1 3.41Å; Y52-I137 WeakPolarHBondContact OH-CG1 3.25Å; Y52-Q140 PolarHBondContact OH-NE2 2.73Å; Y52-I147 PolarHBondContact N-O 3.3Å; Y52-I148 WeakPolarHBondContact O-CA 2.92Å; Y52-L149 PolarHBondContact O-N 3.11Å
53F96.7Very high82.6Confident0 Ų036 Ų360%021%0.209CC..EExtended strand (participates in β ladder)trans-80.7124.9169.1-68-90.3000109.5L51 L55 V72 L75 V86 S87 F88 V89 L149L51-F53 HydrophobicContact CD2-CD2 4.29Å; L51-F53 HydrophobicContact CD2-CE1 4.38Å; L51-F53 HydrophobicContact CD2-CE2 3.5Å; L51-F53 VanDerWaalsContact CD2-CE2 3.5Å; L51-F53 HydrophobicContact CD2-CZ 3.6Å; L51-F53 HydrophobicContact CG-CD2 4.24Å; L51-F53 HydrophobicContact CG-CE2 3.93Å; L51-F53 HydrophobicContact CG-CZ 4.35Å; F53-L55 HydrophobicContact CB-CD1 4.22Å; F53-L55 HydrophobicContact CB-CD2 4.07Å; F53-L55 HydrophobicContact CB-CG 4Å; F53-L55 HydrophobicContact CD1-CD2 4.33Å; F53-V72 HydrophobicContact CD1-CG1 4.16Å; F53-V72 HydrophobicContact CD1-CG2 3.88Å; F53-V72 HydrophobicContact CD2-CG1 4.3Å; F53-V72 HydrophobicContact CE1-CB 4.28Å; F53-V72 HydrophobicContact CE1-CG1 4.02Å; F53-V72 HydrophobicContact CE1-CG2 4.01Å; F53-V72 HydrophobicContact CE2-CG1 4.17Å; F53-V72 HydrophobicContact CG-CG1 4.24Å; F53-V72 HydrophobicContact CZ-CG1 3.98Å; F53-L75 HydrophobicContact CE1-CB 4.45Å; F53-L75 HydrophobicContact CE1-CD2 3.63Å; F53-L75 HydrophobicContact CE2-CD2 4.34Å; F53-L75 HydrophobicContact CZ-CB 4.24Å; F53-L75 HydrophobicContact CZ-CD2 3.27Å; F53-L75 HydrophobicContact CZ-CG 4.34Å; F53-V86 HydrophobicContact CD2-CG1 3.66Å; F53-V86 HydrophobicContact CE2-CG1 3.55Å; F53-S87 PolarHBondContact N-O 2.89Å; F53-F88 HydrophobicContact CB-CD1 4.08Å; F53-F88 AromaticContact CD2-CD1 3.58Å; F53-F88 HydrophobicContact CD2-CD1 3.58Å; F53-F88 AromaticContact CD2-CE1 3.53Å; F53-F88 HydrophobicContact CD2-CE1 3.53Å; F53-F88 HydrophobicContact CE2-CD1 4.26Å; F53-F88 AromaticContact CE2-CE1 3.73Å; F53-F88 HydrophobicContact CE2-CE1 3.73Å; F53-F88 HydrophobicContact CG-CD1 4.11Å; F53-F88 HydrophobicContact CG-CE1 4.33Å; F53-V89 WeakPolarHBondContact O-CA 3.42Å; F53-V89 WeakPolarHBondContact O-CB 3.48Å; F53-V89 PolarHBondContact O-N 3.46Å; F53-V89 VanDerWaalsContact O-O 3.08Å; F53-L149 HydrophobicContact CD1-CD2 4.03Å; F53-L149 HydrophobicContact CE1-CD2 3.84Å
54V97.5Very high84.3Confident0 Ų036.1 Ų36.10%020%0.204CC..EExtended strand (participates in β ladder)trans-115.1101.6174.3178.30000107.3V89 F91 I130 A133 I148 L149 A150 L151V54-V89 CarbonylContact C-O 3.5Å; V54-V89 WeakPolarHBondContact CA-O 3.49Å; V54-V89 HydrophobicContact CG2-CB 4.42Å; V54-F91 HydrophobicContact CG1-CD1 3.56Å; V54-F91 HydrophobicContact CG1-CE1 3.73Å; V54-I130 HydrophobicContact CG1-CG1 4.44Å; V54-A133 HydrophobicContact CG2-CB 3.98Å; V54-I148 HydrophobicContact CB-CG2 4.46Å; V54-I148 HydrophobicContact CG2-CG2 3.73Å; V54-L149 PolarHBondContact N-O 3.24Å; V54-A150 HydrophobicContact CB-CB 4.31Å; V54-A150 CarbonylContact O-C 3.56Å; V54-A150 VanDerWaalsContact O-CA 3.28Å; V54-A150 WeakPolarHBondContact O-CA 2.96Å; V54-L151 PolarHBondContact O-N 2.97Å
55L96.6Very high86Confident0 Ų034.3 Ų34.30%019%0.189CC..EExtended strand (participates in β ladder)trans-110.9124.3-163.6-55.5171.6000111F53 R57 W65 I68 V72 V89 T90 F91 L115 L151F53-L55 HydrophobicContact CB-CD1 4.22Å; F53-L55 HydrophobicContact CB-CD2 4.07Å; F53-L55 HydrophobicContact CB-CG 4Å; F53-L55 HydrophobicContact CD1-CD2 4.33Å; L55-R57 PolarHBondContact O-N 3.29Å; L55-W65 HydrophobicContact CB-CH2 4.42Å; L55-I68 HydrophobicContact CD2-CG2 4.09Å; L55-V72 HydrophobicContact CD1-CG2 3.76Å; L55-V72 HydrophobicContact CD2-CG2 3.65Å; L55-V72 HydrophobicContact CG-CG2 4.36Å; L55-V89 PolarHBondContact N-O 3.22Å; L55-T90 HydrophobicContact CB-CG2 4.29Å; L55-T90 CarbonylContact O-C 3.55Å; L55-T90 VanDerWaalsContact O-CA 3.26Å; L55-T90 WeakPolarHBondContact O-CA 2.85Å; L55-F91 VanDerWaalsContact C-CE1 3.44Å; L55-F91 WeakPolarHBondContact O-CD1 3Å; L55-F91 PolarHBondContact O-N 2.84Å; L55-L115 HydrophobicContact CD1-CD1 3.6Å; L55-L115 HydrophobicContact CD1-CD2 3.86Å; L55-L115 HydrophobicContact CD1-CG 4.38Å; L55-L151 HydrophobicContact CD2-CB 4.18Å
56D95.1Very high87.3Confident0 Ų040.1 Ų40.10%021%0.214CC..EExtended strand (participates in β ladder)trans-67.5116.8173.6-166.7-19.1000110.5S58 V61 W65 F91 T124 L151 T152D56-S58 WeakPolarHBondContact OD1-CB 3.46Å; D56-S58 PolarHBondContact OD1-N 2.91Å; D56-S58 PolarHBondContact OD1-OG 3.3Å; D56-V61 HydrophobicContact CB-CG1 4.42Å; D56-V61 WeakPolarHBondContact O-CG2 3.32Å; D56-W65 VanDerWaalsContact O-CZ3 3.29Å; D56-W65 WeakPolarHBondContact O-CZ3 3.39Å; D56-F91 HydrophobicContact CB-CE1 3.99Å; D56-F91 HydrophobicContact CB-CE2 3.96Å; D56-F91 HydrophobicContact CB-CZ 3.49Å; D56-F91 VanDerWaalsContact CB-CZ 3.49Å; D56-F91 VanDerWaalsContact N-CE1 3.29Å; D56-T124 VanDerWaalsContact OD2-CG2 3.26Å; D56-T124 WeakPolarHBondContact OD2-CG2 3.38Å; D56-L151 WeakPolarHBondContact CB-O 3.2Å; D56-L151 PolarHBondContact N-O 3.37Å; D56-T152 PolarHBondContact OD2-OG1 2.56Å
57R95.2Very high88.8Confident28 Ų2835.2 Ų35.211%0.10619%0.191CC..  trans-115.727.5172.269.9163.5-175.385.80.8112L55 W65 T90 F91 S92 V118 P120 A121L55-R57 PolarHBondContact O-N 3.29Å; R57-W65 HydrophobicContact CB-CE3 4.45Å; R57-W65 HydrophobicContact CB-CH2 4.04Å; R57-W65 HydrophobicContact CB-CZ3 3.81Å; R57-T90 WeakPolarHBondContact CD-OG1 3.2Å; R57-T90 PolarHBondContact NE-OG1 3.06Å; R57-F91 WeakPolarHBondContact CG-O 3.2Å; R57-F91 PolarHBondContact N-O 2.76Å; R57-S92 PolarHBondContact NH1-OG 3.26Å; R57-S92 VanDerWaalsContact NH1-OG 3.1Å; R57-S92 PolarHBondContact NH2-OG 2.86Å; R57-V118 HydrophobicContact CB-CG1 4.06Å; R57-V118 HydrophobicContact CG-CG1 4.48Å; R57-P120 HydrophobicContact CB-CB 4.48Å; R57-P120 CarbonylContact O-C 3.54Å; R57-P120 WeakPolarHBondContact O-CA 3.32Å; R57-P120 WeakPolarHBondContact O-CB 3.43Å; R57-A121 PolarHBondContact O-N 3.09Å
58S93.7Very high90.2Very high1 Ų134.4 Ų34.41%0.00718%0.183CC..SBendtrans-66.9174.9175.165.20000112.2D56 S60 V61 P120 G122 E123 T124D56-S58 WeakPolarHBondContact OD1-CB 3.46Å; D56-S58 PolarHBondContact OD1-N 2.91Å; D56-S58 PolarHBondContact OD1-OG 3.3Å; S58-S60 VanDerWaalsContact C-N 3.26Å; S58-S60 PolarHBondContact O-N 2Å; S58-S60 PolarHBondContact OG-OG 3.27Å; S58-V61 WeakPolarHBondContact O-CG2 3.38Å; S58-P120 VanDerWaalsContact O-CB 3.27Å; S58-P120 WeakPolarHBondContact O-CB 3.26Å; S58-G122 WeakPolarHBondContact CA-O 3.34Å; S58-G122 WeakPolarHBondContact CB-O 3.17Å; S58-E123 VanDerWaalsContact CB-O 3.25Å; S58-E123 WeakPolarHBondContact CB-O 3.43Å; S58-T124 WeakPolarHBondContact CB-OG1 3.41Å; S58-T124 PolarHBondContact OG-OG1 2.9Å
59G91.5Very high91.5Very high39 Ų3933.5 Ų33.540%0.40217%0.168SC..SBendtrans-64.6-24.6179.100000114.7S62 G122G59-S62 WeakPolarHBondContact O-CB 3.43Å; G59-S62 PolarHBondContact O-N 2.85Å; G59-G122 PolarHBondContact N-O 2.84Å
60S89.8Confident92.1Very high66 Ų6634.2 Ų34.246%0.46217%0.174SC..G310 helixtrans-66-40-178.350.60000112.3S58 S62 D153S58-S60 VanDerWaalsContact C-N 3.26Å; S58-S60 PolarHBondContact O-N 2Å; S58-S60 PolarHBondContact OG-OG 3.27Å; S60-S62 VanDerWaalsContact C-N 3.26Å; S60-S62 PolarHBondContact O-N 2.93Å; S60-D153 WeakPolarHBondContact CB-OD1 3.47Å; S60-D153 WeakPolarHBondContact CB-OD2 3.38Å; S60-D153 PolarHBondContact OG-OD1 2.88Å; S60-D153 PolarHBondContact OG-OD2 3.37Å
61V89.4Confident92.3Very high0 Ų034.2 Ų34.20%017%0.174CC..G310 helixtrans-80.61.2-178.1-62.70000114.2D56 S58 R63 N64 W65 I68 P120 D153 F208D56-V61 HydrophobicContact CB-CG1 4.42Å; D56-V61 WeakPolarHBondContact O-CG2 3.32Å; S58-V61 WeakPolarHBondContact O-CG2 3.38Å; V61-R63 PolarHBondContact O-N 2.73Å; V61-R63 VanDerWaalsContact O-N 3.09Å; V61-N64 CarbonylContact O-C 3.27Å; V61-N64 PolarHBondContact O-N 2.71Å; V61-W65 HydrophobicContact CG2-CE3 4.39Å; V61-W65 PolarHBondContact O-N 3.17Å; V61-I68 HydrophobicContact CB-CD1 3.89Å; V61-I68 HydrophobicContact CG1-CD1 3.88Å; V61-I68 HydrophobicContact CG2-CD1 4.35Å; V61-P120 HydrophobicContact CG2-CB 3.89Å; V61-P120 HydrophobicContact CG2-CG 4.37Å; V61-D153 HydrophobicContact CG1-CB 3.72Å; V61-D153 WeakPolarHBondContact CG1-OD1 3.38Å; V61-D153 WeakPolarHBondContact CG1-OD2 3.34Å; V61-D153 PolarHBondContact N-OD2 3.2Å; V61-F208 HydrophobicContact CG1-CZ 4.3Å
62S88.9Confident92.4Very high62 Ų6233.9 Ų33.943%0.43417%0.172SC..G310 helixtrans-59.2-32.7-164.7840000114.3G59 S60G59-S62 WeakPolarHBondContact O-CB 3.43Å; G59-S62 PolarHBondContact O-N 2.85Å; S60-S62 VanDerWaalsContact C-N 3.26Å; S60-S62 PolarHBondContact O-N 2.93Å
63R88.9Confident92.2Very high233 Ų23337.3 Ų37.388%0.87919%0.187SC*.G310 helixtrans-81.7-15.9179.3-64.1-178.3-177.6160.32.3113.4V61V61-R63 PolarHBondContact O-N 2.73Å; V61-R63 VanDerWaalsContact O-N 3.09Å
64N89.1Confident91.8Very high47 Ų4739.7 Ų39.725%0.25120%0.2SC..THydrogen-bonded Turntrans-1194.6-169.9-64.684.6000112.7V61 F66 E67 I68 F208V61-N64 CarbonylContact O-C 3.27Å; V61-N64 PolarHBondContact O-N 2.71Å; N64-F66 VanDerWaalsContact C-N 3.27Å; N64-F66 PolarHBondContact O-N 2.98Å; N64-E67 VanDerWaalsContact CB-OE2 3.31Å; N64-E67 WeakPolarHBondContact CB-OE2 3.42Å; N64-E67 PolarHBondContact ND2-OE2 3.36Å; N64-E67 WeakPolarHBondContact O-CB 3.47Å; N64-E67 PolarHBondContact O-N 3.48Å; N64-I68 PolarHBondContact O-N 3.27Å; N64-F208 HydrophobicContact CB-CD1 4.29Å; N64-F208 HydrophobicContact CB-CD2 3.52Å; N64-F208 HydrophobicContact CB-CE1 4.34Å; N64-F208 HydrophobicContact CB-CE2 3.55Å; N64-F208 HydrophobicContact CB-CG 3.92Å; N64-F208 HydrophobicContact CB-CZ 3.97Å
65W92.1Very high91.3Very high15 Ų1539.7 Ų39.76%0.05720%0.2CC..Hα-helixtrans-54.9-38.3-177.8-178-110.3000114.4L55 D56 R57 V61 E67 I68 Y69 T90 L115 V118 P120L55-W65 HydrophobicContact CB-CH2 4.42Å; D56-W65 VanDerWaalsContact O-CZ3 3.29Å; D56-W65 WeakPolarHBondContact O-CZ3 3.39Å; R57-W65 HydrophobicContact CB-CE3 4.45Å; R57-W65 HydrophobicContact CB-CH2 4.04Å; R57-W65 HydrophobicContact CB-CZ3 3.81Å; V61-W65 HydrophobicContact CG2-CE3 4.39Å; V61-W65 PolarHBondContact O-N 3.17Å; W65-E67 PolarHBondContact O-N 3.46Å; W65-E67 VanDerWaalsContact O-N 3.15Å; W65-I68 HydrophobicContact CE3-CB 4.29Å; W65-I68 HydrophobicContact CE3-CD1 3.9Å; W65-I68 HydrophobicContact CE3-CG2 4.4Å; W65-I68 HydrophobicContact CZ3-CB 4.5Å; W65-I68 HydrophobicContact CZ3-CD1 4.21Å; W65-I68 HydrophobicContact CZ3-CG2 4.11Å; W65-I68 WeakPolarHBondContact O-CB 3.32Å; W65-I68 PolarHBondContact O-N 3.22Å; W65-I68 VanDerWaalsContact O-N 3.14Å; W65-Y69 PolarHBondContact O-N 2.75Å; W65-T90 HydrophobicContact CH2-CG2 4.11Å; W65-L115 HydrophobicContact CH2-CD1 3.84Å; W65-L115 HydrophobicContact CZ2-CD1 3.56Å; W65-L115 HydrophobicContact CZ2-CG 4.07Å; W65-L115 WeakPolarHBondContact CZ2-O 3.45Å; W65-L115 PolarHBondContact NE1-O 3.26Å; W65-V118 HydrophobicContact CH2-CB 4.43Å; W65-V118 HydrophobicContact CH2-CG1 4.13Å; W65-V118 HydrophobicContact CZ2-CB 3.51Å; W65-V118 HydrophobicContact CZ2-CG1 3.64Å; W65-V118 HydrophobicContact CZ2-CG2 3.98Å; W65-V118 PolarHBondContact NE1-O 2.9Å; W65-P120 HydrophobicContact CB-CG 3.59Å; W65-P120 HydrophobicContact CD2-CG 3.75Å; W65-P120 HydrophobicContact CE3-CG 3.9Å; W65-P120 HydrophobicContact CG-CG 3.61Å
66F91.4Very high90.8Very high132 Ų13239.8 Ų39.858%0.57920%0.201SC*.Hα-helixtrans-59-29.5178-176.5-100.3000112.3N64 Y69 S70N64-F66 VanDerWaalsContact C-N 3.27Å; N64-F66 PolarHBondContact O-N 2.98Å; F66-Y69 HydrophobicContact CD2-CD1 4.12Å; F66-Y69 HydrophobicContact CE2-CD1 4.08Å; F66-Y69 HydrophobicContact CE2-CE1 4.23Å; F66-S70 VanDerWaalsContact O-CB 3.32Å; F66-S70 WeakPolarHBondContact O-CB 3.34Å; F66-S70 PolarHBondContact O-N 3.16Å
67E90.1Very high90.3Very high27 Ų2743.5 Ų43.513%0.12622%0.221CC..Hα-helixtrans-79.3-36.5179.4-54.5174.1101.300111.8N64 W65 S70 F71 F208 H209N64-E67 VanDerWaalsContact CB-OE2 3.31Å; N64-E67 WeakPolarHBondContact CB-OE2 3.42Å; N64-E67 PolarHBondContact ND2-OE2 3.36Å; N64-E67 WeakPolarHBondContact O-CB 3.47Å; N64-E67 PolarHBondContact O-N 3.48Å; W65-E67 PolarHBondContact O-N 3.46Å; W65-E67 VanDerWaalsContact O-N 3.15Å; E67-S70 PolarHBondContact O-N 2.94Å; E67-F71 WeakPolarHBondContact O-CB 2.96Å; E67-F71 PolarHBondContact O-N 3.37Å; E67-F208 HydrophobicContact CB-CB 3.54Å; E67-F208 HydrophobicContact CB-CD1 4.28Å; E67-F208 HydrophobicContact CB-CG 4.23Å; E67-F208 HydrophobicContact CG-CB 4Å; E67-F208 WeakPolarHBondContact OE1-CB 3.24Å; E67-F208 WeakPolarHBondContact OE2-CB 3.35Å; E67-H209 IonicContact OE1-CD2 3.98Å; E67-H209 IonicContact OE1-CE1 2.95Å; E67-H209 PolarHBondContact OE1-CE1 3.14Å; E67-H209 IonicContact OE1-CG 3.39Å; E67-H209 PolarHBondContact OE1-N 3.14Å; E67-H209 IonicContact OE1-ND1 3.01Å; E67-H209 PolarHBondContact OE1-ND1 3.45Å; E67-H209 IonicContact OE1-NE2 3.77Å
68I91.7Very high89.4Confident0 Ų047.1 Ų47.10%023%0.234CC..Hα-helixtrans-59.5-50.4169.2-61.1174.9000109.3L55 V61 N64 W65 S70 F71 V72 L151 F208L55-I68 HydrophobicContact CD2-CG2 4.09Å; V61-I68 HydrophobicContact CB-CD1 3.89Å; V61-I68 HydrophobicContact CG1-CD1 3.88Å; V61-I68 HydrophobicContact CG2-CD1 4.35Å; N64-I68 PolarHBondContact O-N 3.27Å; W65-I68 HydrophobicContact CE3-CB 4.29Å; W65-I68 HydrophobicContact CE3-CD1 3.9Å; W65-I68 HydrophobicContact CE3-CG2 4.4Å; W65-I68 HydrophobicContact CZ3-CB 4.5Å; W65-I68 HydrophobicContact CZ3-CD1 4.21Å; W65-I68 HydrophobicContact CZ3-CG2 4.11Å; W65-I68 WeakPolarHBondContact O-CB 3.32Å; W65-I68 PolarHBondContact O-N 3.22Å; W65-I68 VanDerWaalsContact O-N 3.14Å; I68-S70 PolarHBondContact O-N 2.89Å; I68-F71 WeakPolarHBondContact O-CB 3.4Å; I68-F71 PolarHBondContact O-N 3.3Å; I68-V72 WeakPolarHBondContact O-CG2 3.46Å; I68-V72 PolarHBondContact O-N 2.75Å; I68-L151 HydrophobicContact CD1-CD2 3.79Å; I68-L151 HydrophobicContact CG1-CD2 3.81Å; I68-L151 HydrophobicContact CG2-CD1 4.34Å; I68-L151 HydrophobicContact CG2-CD2 4.24Å; I68-F208 HydrophobicContact CD1-CE1 3.69Å; I68-F208 HydrophobicContact CD1-CZ 4.38Å; I68-F208 HydrophobicContact CG1-CD1 3.77Å; I68-F208 HydrophobicContact CG1-CE1 3.42Å; I68-F208 VanDerWaalsContact CG1-CE1 3.42Å; I68-F208 HydrophobicContact CG1-CZ 4.49Å
69Y93.8Very high88.4Confident35 Ų3547.5 Ų47.514%0.13724%0.236CC..Hα-helixtrans-55.9-49174.1162.4-101.6000111.6W65 F66 F71 V72 K73 L112 L115 H116W65-Y69 PolarHBondContact O-N 2.75Å; F66-Y69 HydrophobicContact CD2-CD1 4.12Å; F66-Y69 HydrophobicContact CE2-CD1 4.08Å; F66-Y69 HydrophobicContact CE2-CE1 4.23Å; Y69-F71 VanDerWaalsContact C-N 3.28Å; Y69-F71 PolarHBondContact O-N 3.33Å; Y69-V72 PolarHBondContact O-N 2.52Å; Y69-K73 HydrophobicContact CE1-CD 4.45Å; Y69-K73 WeakPolarHBondContact O-CB 3.21Å; Y69-K73 PolarHBondContact O-N 3.16Å; Y69-L112 HydrophobicContact CE2-CB 4.38Å; Y69-L112 HydrophobicContact CE2-CD2 4.41Å; Y69-L112 WeakPolarHBondContact CE2-O 3.36Å; Y69-L115 HydrophobicContact CD2-CB 4.49Å; Y69-L115 HydrophobicContact CD2-CD2 4.3Å; Y69-L115 HydrophobicContact CD2-CG 4.38Å; Y69-H116 AromaticContact CD1-CD2 4Å; Y69-H116 HydrophobicContact CD2-CB 3.97Å; Y69-H116 AromaticContact CE1-CD2 3.67Å; Y69-H116 HydrophobicContact CE2-CB 3.71Å; Y69-H116 HydrophobicContact CG-CB 4.47Å; Y69-H116 AromaticContact CZ-CD2 3.89Å
70S91.4Very high86.9Confident24 Ų2450.5 Ų50.517%0.16825%0.246CC..Hα-helixtrans-62-36.6179.4179.90000112.1F66 E67 I68 N74F66-S70 VanDerWaalsContact O-CB 3.32Å; F66-S70 WeakPolarHBondContact O-CB 3.34Å; F66-S70 PolarHBondContact O-N 3.16Å; E67-S70 PolarHBondContact O-N 2.94Å; I68-S70 PolarHBondContact O-N 2.89Å; S70-N74 VanDerWaalsContact O-CB 3.29Å; S70-N74 WeakPolarHBondContact O-CB 3.03Å; S70-N74 PolarHBondContact O-N 3.36Å; S70-N74 PolarHBondContact O-ND2 2.94Å; S70-N74 VanDerWaalsContact O-ND2 3.13Å
71F90.3Very high85.8Confident2 Ų247.9 Ų47.91%0.00923%0.228CC..Hα-helixtrans-64.7-50.2175.6166.9-104.7000111.3E67 I68 Y69 K73 N74 L75 L149 L151 V181 L211 V215 I218E67-F71 WeakPolarHBondContact O-CB 2.96Å; E67-F71 PolarHBondContact O-N 3.37Å; I68-F71 WeakPolarHBondContact O-CB 3.4Å; I68-F71 PolarHBondContact O-N 3.3Å; Y69-F71 VanDerWaalsContact C-N 3.28Å; Y69-F71 PolarHBondContact O-N 3.33Å; F71-K73 VanDerWaalsContact C-N 3.32Å; F71-K73 PolarHBondContact O-N 2.99Å; F71-N74 PolarHBondContact O-N 3.12Å; F71-L75 HydrophobicContact CE1-CD1 4.44Å; F71-L75 HydrophobicContact CE2-CD1 3.92Å; F71-L75 HydrophobicContact CZ-CD1 3.71Å; F71-L75 WeakPolarHBondContact O-CB 3.48Å; F71-L75 PolarHBondContact O-N 2.98Å; F71-L149 HydrophobicContact CE1-CD2 4.1Å; F71-L149 HydrophobicContact CZ-CD2 4.11Å; F71-L151 HydrophobicContact CD1-CD1 3.73Å; F71-L151 HydrophobicContact CE1-CD1 3.91Å; F71-V181 HydrophobicContact CZ-CG2 4.46Å; F71-L211 HydrophobicContact CB-CB 3.92Å; F71-L211 HydrophobicContact CB-CD1 3.94Å; F71-L211 HydrophobicContact CB-CG 4.44Å; F71-L211 HydrophobicContact CD2-CB 3.66Å; F71-L211 HydrophobicContact CD2-CD2 4.13Å; F71-L211 HydrophobicContact CD2-CG 4.38Å; F71-L211 WeakPolarHBondContact CD2-O 3.4Å; F71-L211 HydrophobicContact CE2-CB 4.44Å; F71-L211 HydrophobicContact CE2-CD2 4.31Å; F71-L211 HydrophobicContact CG-CB 3.98Å; F71-L211 HydrophobicContact CG-CD1 4.23Å; F71-L211 HydrophobicContact CG-CD2 4.25Å; F71-L211 HydrophobicContact CG-CG 4.41Å; F71-V215 HydrophobicContact CD2-CG2 4.05Å; F71-V215 HydrophobicContact CE2-CG2 3.96Å; F71-I218 HydrophobicContact CE2-CD1 3.92Å; F71-I218 HydrophobicContact CZ-CD1 3.56Å
72V92.6Very high84.7Confident0 Ų053.6 Ų53.60%027%0.265CS..Hα-helixtrans-60.1-44.4178175.10000110.7F53 L55 I68 Y69 L75 T76 F88 L112 L115F53-V72 HydrophobicContact CD1-CG1 4.16Å; F53-V72 HydrophobicContact CD1-CG2 3.88Å; F53-V72 HydrophobicContact CD2-CG1 4.3Å; F53-V72 HydrophobicContact CE1-CB 4.28Å; F53-V72 HydrophobicContact CE1-CG1 4.02Å; F53-V72 HydrophobicContact CE1-CG2 4.01Å; F53-V72 HydrophobicContact CE2-CG1 4.17Å; F53-V72 HydrophobicContact CG-CG1 4.24Å; F53-V72 HydrophobicContact CZ-CG1 3.98Å; L55-V72 HydrophobicContact CD1-CG2 3.76Å; L55-V72 HydrophobicContact CD2-CG2 3.65Å; L55-V72 HydrophobicContact CG-CG2 4.36Å; I68-V72 WeakPolarHBondContact O-CG2 3.46Å; I68-V72 PolarHBondContact O-N 2.75Å; Y69-V72 PolarHBondContact O-N 2.52Å; V72-L75 PolarHBondContact O-N 3.24Å; V72-T76 VanDerWaalsContact O-CB 3.28Å; V72-T76 WeakPolarHBondContact O-CB 3.41Å; V72-T76 PolarHBondContact O-N 2.93Å; V72-T76 PolarHBondContact O-OG1 3.31Å; V72-F88 HydrophobicContact CG1-CD1 4Å; V72-F88 HydrophobicContact CG1-CE1 3.45Å; V72-F88 VanDerWaalsContact CG1-CE1 3.45Å; V72-F88 HydrophobicContact CG1-CZ 3.96Å; V72-L112 HydrophobicContact CG1-CD2 4.18Å; V72-L115 HydrophobicContact CB-CD2 4.01Å; V72-L115 HydrophobicContact CG1-CD2 3.76Å; V72-L115 HydrophobicContact CG2-CD2 4.29Å
73K91.5Very high83.8Confident72 Ų7259.3 Ų59.331%0.31328%0.277SS..Hα-helixtrans-59.3-52.8175.2-176.5-177.6-176.4-600111.4Y69 F71 L75 T76 D77 L112Y69-K73 HydrophobicContact CE1-CD 4.45Å; Y69-K73 WeakPolarHBondContact O-CB 3.21Å; Y69-K73 PolarHBondContact O-N 3.16Å; F71-K73 VanDerWaalsContact C-N 3.32Å; F71-K73 PolarHBondContact O-N 2.99Å; K73-L75 VanDerWaalsContact C-N 3.29Å; K73-L75 PolarHBondContact O-N 3.46Å; K73-T76 PolarHBondContact O-N 3.22Å; K73-D77 IonicContact NZ-OD2 3.22Å; K73-D77 PolarHBondContact NZ-OD2 3.41Å; K73-D77 WeakPolarHBondContact O-CB 3.41Å; K73-D77 PolarHBondContact O-N 2.87Å; K73-L112 HydrophobicContact CB-CD2 4.21Å; K73-L112 HydrophobicContact CG-CD1 4.37Å
74N88.1Confident83.4Confident50 Ų5048.5 Ų48.527%0.26724%0.236SC..Hα-helixtrans-60.2-40.7-179.2-72.9-20.8000111.9S70 F71 R78S70-N74 VanDerWaalsContact O-CB 3.29Å; S70-N74 WeakPolarHBondContact O-CB 3.03Å; S70-N74 PolarHBondContact O-N 3.36Å; S70-N74 PolarHBondContact O-ND2 2.94Å; S70-N74 VanDerWaalsContact O-ND2 3.13Å; F71-N74 PolarHBondContact O-N 3.12Å; N74-R78 WeakPolarHBondContact O-CG 3.31Å; N74-R78 PolarHBondContact O-N 3.3Å; N74-R78 VanDerWaalsContact O-N 3.15Å
75L86.1Confident83.4Confident1 Ų149.5 Ų49.51%0.00524%0.237CC..Hα-helixtrans-65.9-48.8178.4-161.4132.1000109.9L51 F53 F71 V72 K73 D77 R78 F79 L149 V215 I218L51-L75 HydrophobicContact CD2-CD2 3.45Å; L51-L75 VanDerWaalsContact CD2-CD2 3.45Å; F53-L75 HydrophobicContact CE1-CB 4.45Å; F53-L75 HydrophobicContact CE1-CD2 3.63Å; F53-L75 HydrophobicContact CE2-CD2 4.34Å; F53-L75 HydrophobicContact CZ-CB 4.24Å; F53-L75 HydrophobicContact CZ-CD2 3.27Å; F53-L75 HydrophobicContact CZ-CG 4.34Å; F71-L75 HydrophobicContact CE1-CD1 4.44Å; F71-L75 HydrophobicContact CE2-CD1 3.92Å; F71-L75 HydrophobicContact CZ-CD1 3.71Å; F71-L75 WeakPolarHBondContact O-CB 3.48Å; F71-L75 PolarHBondContact O-N 2.98Å; V72-L75 PolarHBondContact O-N 3.24Å; K73-L75 VanDerWaalsContact C-N 3.29Å; K73-L75 PolarHBondContact O-N 3.46Å; L75-D77 VanDerWaalsContact C-N 3.31Å; L75-D77 PolarHBondContact O-N 3.44Å; L75-R78 WeakPolarHBondContact O-CB 3.43Å; L75-R78 PolarHBondContact O-N 2.89Å; L75-F79 HydrophobicContact CD2-CD2 3.83Å; L75-F79 HydrophobicContact CD2-CE2 3.31Å; L75-F79 HydrophobicContact CD2-CZ 4.38Å; L75-F79 HydrophobicContact CG-CD2 4.21Å; L75-F79 HydrophobicContact CG-CE2 3.7Å; L75-F79 WeakPolarHBondContact O-CD2 3.41Å; L75-F79 PolarHBondContact O-N 3.31Å; L75-L149 HydrophobicContact CD1-CD2 4.17Å; L75-L149 HydrophobicContact CD2-CD2 4.33Å; L75-V215 HydrophobicContact CB-CG1 4.5Å; L75-V215 HydrophobicContact CD1-CG1 4.25Å; L75-V215 HydrophobicContact CD1-CG2 4.43Å; L75-V215 HydrophobicContact CG-CG1 4.33Å; L75-I218 HydrophobicContact CD1-CB 4.45Å; L75-I218 HydrophobicContact CD1-CD1 4.12Å; L75-I218 HydrophobicContact CD1-CG2 4.15Å
76T86.7Confident83.4Confident2 Ų248.8 Ų48.81%0.01223%0.234CC..Hα-helixtrans-59.2-38.6177.4-54.80000112.7V72 K73 R78 F79 V86 I108V72-T76 VanDerWaalsContact O-CB 3.28Å; V72-T76 WeakPolarHBondContact O-CB 3.41Å; V72-T76 PolarHBondContact O-N 2.93Å; V72-T76 PolarHBondContact O-OG1 3.31Å; K73-T76 PolarHBondContact O-N 3.22Å; T76-R78 VanDerWaalsContact C-N 3.33Å; T76-R78 PolarHBondContact O-N 3.01Å; T76-F79 PolarHBondContact O-N 3.48Å; T76-V86 HydrophobicContact CG2-CG2 4.49Å; T76-I108 HydrophobicContact CG2-CG2 3.52Å
77D83.9Confident83.6Confident78 Ų7842.5 Ų42.542%0.41721%0.206SC..Hα-helixtrans-67.7-31176.4-70.2-15.1000112.1K73 L75K73-D77 IonicContact NZ-OD2 3.22Å; K73-D77 PolarHBondContact NZ-OD2 3.41Å; K73-D77 WeakPolarHBondContact O-CB 3.41Å; K73-D77 PolarHBondContact O-N 2.87Å; L75-D77 VanDerWaalsContact C-N 3.31Å; L75-D77 PolarHBondContact O-N 3.44Å
78R77.4Confident84Confident103 Ų10341.2 Ų41.239%0.38920%0.2SC..Hα-helixtrans-76.7-24.6177.1-69.5-68.1-173.2-174.29.1113.2E42 N74 L75 T76 V80 V215 L219E42-R78 IonicContact OE1-CZ 2.66Å; E42-R78 VanDerWaalsContact OE1-CZ 3.31Å; E42-R78 IonicContact OE1-NH1 2.68Å; E42-R78 PolarHBondContact OE1-NH1 2.95Å; E42-R78 IonicContact OE1-NH2 3.42Å; E42-R78 PolarHBondContact OE1-NH2 3.38Å; E42-R78 IonicContact OE2-NH1 3.87Å; E42-R78 PolarHBondContact OE2-NH1 3.25Å; N74-R78 WeakPolarHBondContact O-CG 3.31Å; N74-R78 PolarHBondContact O-N 3.3Å; N74-R78 VanDerWaalsContact O-N 3.15Å; L75-R78 WeakPolarHBondContact O-CB 3.43Å; L75-R78 PolarHBondContact O-N 2.89Å; T76-R78 VanDerWaalsContact C-N 3.33Å; T76-R78 PolarHBondContact O-N 3.01Å; R78-V80 PolarHBondContact O-N 2.85Å; R78-V215 HydrophobicContact CG-CG1 4.17Å; R78-L219 HydrophobicContact CB-CD1 4.21Å
79F70.8Confident84.3Confident9 Ų941.2 Ų41.24%0.03920%0.2CC..  trans-84.487.5174.1-73.2-78.7000110.6C45 L51 L75 T76 M84 R105 L219C45-F79 HydrophobicContact CB-CD1 4.2Å; C45-F79 HydrophobicContact CB-CE1 3.98Å; L51-F79 HydrophobicContact CD2-CD2 4.3Å; L51-F79 HydrophobicContact CD2-CE2 4.04Å; L75-F79 HydrophobicContact CD2-CD2 3.83Å; L75-F79 HydrophobicContact CD2-CE2 3.31Å; L75-F79 HydrophobicContact CD2-CZ 4.38Å; L75-F79 HydrophobicContact CG-CD2 4.21Å; L75-F79 HydrophobicContact CG-CE2 3.7Å; L75-F79 WeakPolarHBondContact O-CD2 3.41Å; L75-F79 PolarHBondContact O-N 3.31Å; T76-F79 PolarHBondContact O-N 3.48Å; F79-M84 HydrophobicContact CB-CE 3.31Å; F79-M84 HydrophobicContact CB-CG 4.29Å; F79-M84 HydrophobicContact CB-SD 4.05Å; F79-M84 HydrophobicContact CD1-CG 4.39Å; F79-M84 HydrophobicContact CG-CE 4.3Å; F79-M84 HydrophobicContact CG-SD 4.46Å; F79-M84 WeakPolarHBondContact O-CE 3.43Å; F79-R105 PolarHBondContact O-NH1 3.05Å; F79-R105 PolarHBondContact O-NH2 3.06Å; F79-L219 HydrophobicContact CD1-CD2 3.94Å; F79-L219 HydrophobicContact CD2-CD2 4.21Å; F79-L219 HydrophobicContact CE1-CD2 3.31Å; F79-L219 HydrophobicContact CE2-CD2 3.53Å; F79-L219 HydrophobicContact CE2-CG 4.41Å; F79-L219 HydrophobicContact CG-CD2 4.37Å; F79-L219 HydrophobicContact CZ-CD2 3.09Å; F79-L219 HydrophobicContact CZ-CG 4.15Å
80V60.8Low84.5Confident103 Ų10339.6 Ų39.662%0.62419%0.194SC*.  trans-85.9-12.1-175.4-1720000113.1R78 R105R78-V80 PolarHBondContact O-N 2.85Å; V80-R105 VanDerWaalsContact C-NH2 3.34Å; V80-R105 PolarHBondContact O-NH2 3.06Å
81S66.1Low84.7Confident11 Ų1138.4 Ų38.48%0.07719%0.186CC..  trans-63.2128.6-175.8-177.60000112.6R83 M84S81-R83 PolarHBondContact O-N 3.43Å; S81-R83 PolarHBondContact OG-N 2.94Å; S81-M84 WeakPolarHBondContact O-CB 3.42Å; S81-M84 PolarHBondContact O-N 3.34Å
82P66.2Low84.9Confident120 Ų12038.5 Ų38.578%0.77919%0.187SC*.THydrogen-bonded Turntrans-69.8-8.3175.428.1-34.1000113.4
83R71.8Confident85Confident182 Ų18241.3 Ų41.369%0.68721%0.206SC*.THydrogen-bonded Turntrans-93.94.6177.1-55.6-177.6-167.8164.33.8112.9A48 S81A48-R83 WeakPolarHBondContact CA-O 3.06Å; A48-R83 HydrophobicContact CB-CB 3.76Å; S81-R83 PolarHBondContact O-N 3.43Å; S81-R83 PolarHBondContact OG-N 2.94Å
84M79.7Confident85.1Confident5 Ų546 Ų463%0.02522%0.222CC..  trans-99.9135.9-177.6-171.8-85.2-50.600109.7Y49 F79 S81 V86Y49-M84 WeakPolarHBondContact O-CA 3.39Å; F79-M84 HydrophobicContact CB-CE 3.31Å; F79-M84 HydrophobicContact CB-CG 4.29Å; F79-M84 HydrophobicContact CB-SD 4.05Å; F79-M84 HydrophobicContact CD1-CG 4.39Å; F79-M84 HydrophobicContact CG-CE 4.3Å; F79-M84 HydrophobicContact CG-SD 4.46Å; F79-M84 WeakPolarHBondContact O-CE 3.43Å; S81-M84 WeakPolarHBondContact O-CB 3.42Å; S81-M84 PolarHBondContact O-N 3.34Å; M84-V86 HydrophobicContact CE-CG2 3.65Å; M84-V86 HydrophobicContact SD-CG2 3.23Å; M84-V86 WeakPolarHBondContact SD-CG2 3.43Å
85R89.3Confident85.5Confident69 Ų6944.5 Ų44.526%0.2622%0.217SC..EExtended strand (participates in β ladder)trans-120.7143.5177.8-58.7-176.6-66.4-171.9-1.8109.8Y49 D50 L51 L101 T102 S144Y49-R85 PolarHBondContact O-N 3.33Å; D50-R85 WeakPolarHBondContact CA-O 3.4Å; D50-R85 IonicContact OD1-CZ 3.19Å; D50-R85 IonicContact OD1-NE 2.71Å; D50-R85 PolarHBondContact OD1-NE 3.18Å; D50-R85 IonicContact OD1-NH2 2.85Å; D50-R85 PolarHBondContact OD1-NH2 3.29Å; D50-R85 IonicContact OD2-CZ 3.73Å; D50-R85 IonicContact OD2-NE 3.98Å; D50-R85 IonicContact OD2-NH2 2.73Å; D50-R85 PolarHBondContact OD2-NH2 2.9Å; L51-R85 PolarHBondContact N-O 2.75Å; R85-L101 HydrophobicContact CB-CD1 3.66Å; R85-L101 HydrophobicContact CB-CD2 4.4Å; R85-L101 HydrophobicContact CB-CG 3.81Å; R85-T102 CarbonylContact C-O 3.56Å; R85-T102 VanDerWaalsContact CA-O 3.23Å; R85-T102 WeakPolarHBondContact CA-O 3.39Å; R85-S144 PolarHBondContact NH2-OG 2.83Å
86V92.4Very high86Confident0 Ų048.5 Ų48.50%024%0.235CC..EExtended strand (participates in β ladder)trans-123.9141.6-176.7-175.20000110.5L51 F53 T76 M84 F88 L101 T102 I108L51-V86 CarbonylContact O-C 3.59Å; L51-V86 WeakPolarHBondContact O-CA 3.14Å; F53-V86 HydrophobicContact CD2-CG1 3.66Å; F53-V86 HydrophobicContact CE2-CG1 3.55Å; T76-V86 HydrophobicContact CG2-CG2 4.49Å; M84-V86 HydrophobicContact CE-CG2 3.65Å; M84-V86 HydrophobicContact SD-CG2 3.23Å; M84-V86 WeakPolarHBondContact SD-CG2 3.43Å; V86-F88 HydrophobicContact CG1-CD1 3.84Å; V86-F88 HydrophobicContact CG1-CE1 3.3Å; V86-F88 HydrophobicContact CG1-CZ 3.91Å; V86-L101 WeakPolarHBondContact O-CA 3.12Å; V86-T102 PolarHBondContact N-O 3.16Å; V86-T102 PolarHBondContact O-N 2.64Å; V86-I108 HydrophobicContact CB-CD1 4.48Å; V86-I108 HydrophobicContact CG2-CD1 4.43Å
87S95.8Very high86.6Confident0 Ų050.5 Ų50.50%025%0.248CC..EExtended strand (participates in β ladder)trans-125.3140.5168.2171.30000109.5L51 Y52 F53 L99 Q136L51-S87 PolarHBondContact O-N 3.16Å; Y52-S87 VanDerWaalsContact CD1-CB 3.49Å; F53-S87 PolarHBondContact N-O 2.89Å; S87-L99 CarbonylContact C-O 3.49Å; S87-L99 VanDerWaalsContact CA-O 3.25Å; S87-L99 WeakPolarHBondContact CA-O 3.35Å; S87-L99 PolarHBondContact OG-O 3.35Å; S87-L99 VanDerWaalsContact OG-O 3.07Å; S87-Q136 PolarHBondContact OG-NE2 3.12Å; S87-Q136 PolarHBondContact OG-OE1 2.89Å
88F97.7Very high87.2Confident0 Ų047.4 Ų47.40%023%0.231CC..EExtended strand (participates in β ladder)trans-112.5114.3172-56.3-36000109.6F53 V72 V86 L98 L99 I108 L112F53-F88 HydrophobicContact CB-CD1 4.08Å; F53-F88 AromaticContact CD2-CD1 3.58Å; F53-F88 HydrophobicContact CD2-CD1 3.58Å; F53-F88 AromaticContact CD2-CE1 3.53Å; F53-F88 HydrophobicContact CD2-CE1 3.53Å; F53-F88 HydrophobicContact CE2-CD1 4.26Å; F53-F88 AromaticContact CE2-CE1 3.73Å; F53-F88 HydrophobicContact CE2-CE1 3.73Å; F53-F88 HydrophobicContact CG-CD1 4.11Å; F53-F88 HydrophobicContact CG-CE1 4.33Å; V72-F88 HydrophobicContact CG1-CD1 4Å; V72-F88 HydrophobicContact CG1-CE1 3.45Å; V72-F88 VanDerWaalsContact CG1-CE1 3.45Å; V72-F88 HydrophobicContact CG1-CZ 3.96Å; V86-F88 HydrophobicContact CG1-CD1 3.84Å; V86-F88 HydrophobicContact CG1-CE1 3.3Å; V86-F88 HydrophobicContact CG1-CZ 3.91Å; F88-L98 HydrophobicContact CB-CB 4.28Å; F88-L98 PolarHBondContact O-N 3.42Å; F88-L99 HydrophobicContact CB-CB 3.84Å; F88-L99 HydrophobicContact CD2-CB 3.56Å; F88-L99 HydrophobicContact CD2-CD2 3.58Å; F88-L99 HydrophobicContact CD2-CG 4.23Å; F88-L99 HydrophobicContact CE2-CB 4.36Å; F88-L99 HydrophobicContact CE2-CD2 3.53Å; F88-L99 HydrophobicContact CG-CB 3.9Å; F88-L99 HydrophobicContact CG-CD2 4.14Å; F88-L99 HydrophobicContact CZ-CD2 4.09Å; F88-L99 PolarHBondContact N-O 3.3Å; F88-L99 PolarHBondContact O-N 2.98Å; F88-L99 VanDerWaalsContact O-N 3.12Å; F88-I108 HydrophobicContact CZ-CG2 4.48Å; F88-L112 HydrophobicContact CE2-CD2 3.84Å; F88-L112 HydrophobicContact CE2-CG 3.84Å; F88-L112 HydrophobicContact CZ-CD2 3.67Å; F88-L112 HydrophobicContact CZ-CG 3.95Å
89V98.1Very high88.1Confident0 Ų042.5 Ų42.50%021%0.213CC..EExtended strand (participates in β ladder)trans-115.8129.6173.9-174.50000107.5F53 V54 L55 A95 E96 V97 E132F53-V89 WeakPolarHBondContact O-CA 3.42Å; F53-V89 WeakPolarHBondContact O-CB 3.48Å; F53-V89 PolarHBondContact O-N 3.46Å; F53-V89 VanDerWaalsContact O-O 3.08Å; V54-V89 CarbonylContact C-O 3.5Å; V54-V89 WeakPolarHBondContact CA-O 3.49Å; V54-V89 HydrophobicContact CG2-CB 4.42Å; L55-V89 PolarHBondContact N-O 3.22Å; V89-A95 HydrophobicContact CG1-CB 4.47Å; V89-E96 WeakPolarHBondContact CA-O 3.22Å; V89-V97 HydrophobicContact CG2-CG2 4.3Å; V89-E132 HydrophobicContact CG1-CB 3.89Å
90T97.1Very high89.3Confident0 Ų045.7 Ų45.70%023%0.234CC..EExtended strand (participates in β ladder)trans-112.3146.8173.162.70000109.8L55 R57 W65 A95 E96 L98 L115L55-T90 HydrophobicContact CB-CG2 4.29Å; L55-T90 CarbonylContact O-C 3.55Å; L55-T90 VanDerWaalsContact O-CA 3.26Å; L55-T90 WeakPolarHBondContact O-CA 2.85Å; R57-T90 WeakPolarHBondContact CD-OG1 3.2Å; R57-T90 PolarHBondContact NE-OG1 3.06Å; W65-T90 HydrophobicContact CH2-CG2 4.11Å; T90-A95 CarbonylContact O-C 3.46Å; T90-A95 VanDerWaalsContact O-CA 3.25Å; T90-A95 WeakPolarHBondContact O-CA 3.4Å; T90-E96 PolarHBondContact N-O 3.21Å; T90-E96 PolarHBondContact O-N 3.35Å; T90-L98 HydrophobicContact CG2-CD1 3.42Å; T90-L98 VanDerWaalsContact CG2-CD1 3.42Å; T90-L98 HydrophobicContact CG2-CG 4.08Å; T90-L115 HydrophobicContact CG2-CD1 3.82Å
91F96.3Very high90.9Very high0 Ų042.4 Ų42.40%021%0.213CC..EExtended strand (participates in β ladder)trans-133.3148.1177.469.6-90.9000111.9V54 L55 D56 R57 A95 T124 M126V54-F91 HydrophobicContact CG1-CD1 3.56Å; V54-F91 HydrophobicContact CG1-CE1 3.73Å; L55-F91 VanDerWaalsContact C-CE1 3.44Å; L55-F91 WeakPolarHBondContact O-CD1 3Å; L55-F91 PolarHBondContact O-N 2.84Å; D56-F91 HydrophobicContact CB-CE1 3.99Å; D56-F91 HydrophobicContact CB-CE2 3.96Å; D56-F91 HydrophobicContact CB-CZ 3.49Å; D56-F91 VanDerWaalsContact CB-CZ 3.49Å; D56-F91 VanDerWaalsContact N-CE1 3.29Å; R57-F91 WeakPolarHBondContact CG-O 3.2Å; R57-F91 PolarHBondContact N-O 2.76Å; F91-A95 HydrophobicContact CB-CB 4.4Å; F91-T124 HydrophobicContact CE2-CG2 3.87Å; F91-M126 VanDerWaalsContact CD2-CA 3.47Å; F91-M126 HydrophobicContact CD2-CB 4.18Å; F91-M126 HydrophobicContact CE1-CB 4.35Å; F91-M126 HydrophobicContact CE1-CG 3.87Å; F91-M126 HydrophobicContact CE1-SD 4.37Å; F91-M126 VanDerWaalsContact CE2-CA 3.43Å; F91-M126 HydrophobicContact CE2-CB 3.59Å; F91-M126 HydrophobicContact CE2-CG 4.02Å; F91-M126 HydrophobicContact CZ-CB 3.68Å; F91-M126 HydrophobicContact CZ-CG 3.55Å; F91-M126 HydrophobicContact CZ-SD 3.88Å
92S94.9Very high92.1Very high4 Ų442.8 Ų42.83%0.02822%0.215CC..SBendtrans-148.3-116.316951.30000107.8R57 R94 A121 E123 Y125R57-S92 PolarHBondContact NH1-OG 3.26Å; R57-S92 VanDerWaalsContact NH1-OG 3.1Å; R57-S92 PolarHBondContact NH2-OG 2.86Å; S92-R94 PolarHBondContact N-O 3.29Å; S92-R94 PolarHBondContact O-N 3Å; S92-A121 WeakPolarHBondContact CB-O 3.27Å; S92-A121 PolarHBondContact OG-O 3.35Å; S92-E123 CarbonylContact C-O 3.57Å; S92-E123 WeakPolarHBondContact CA-O 3.38Å; S92-E123 WeakPolarHBondContact CB-O 3.47Å; S92-Y125 WeakPolarHBondContact O-CA 3.23Å; S92-Y125 WeakPolarHBondContact O-CB 3.09Å; S92-Y125 PolarHBondContact O-N 2.86Å
93S94.1Very high93.2Very high58 Ų5838.7 Ų38.741%0.40620%0.195SC..SBendtrans-67.9-15.7164.8-52.30000113.1E123 Y125S93-E123 PolarHBondContact N-O 2.85Å; S93-E123 PolarHBondContact OG-N 2.92Å; S93-E123 VanDerWaalsContact OG-N 3.09Å; S93-Y125 VanDerWaalsContact O-CD2 3.28Å; S93-Y125 WeakPolarHBondContact O-CD2 3.43Å
94R94.4Very high94.1Very high170 Ų17033.9 Ų33.964%0.64218%0.182SC*.SBendtrans-151156174.859.5-179-155.5179.66.3109.9S92S92-R94 PolarHBondContact N-O 3.29Å; S92-R94 PolarHBondContact O-N 3Å
95A96.7Very high94.6Very high20 Ų2038 Ų3817%0.16520%0.198CC..EExtended strand (participates in β ladder)trans-90150.3174.500000112.2V89 T90 F91 E128 E132V89-A95 HydrophobicContact CG1-CB 4.47Å; T90-A95 CarbonylContact O-C 3.46Å; T90-A95 VanDerWaalsContact O-CA 3.25Å; T90-A95 WeakPolarHBondContact O-CA 3.4Å; F91-A95 HydrophobicContact CB-CB 4.4Å; A95-E128 VanDerWaalsContact CB-C 3.46Å; A95-E128 HydrophobicContact CB-CB 3.8Å; A95-E128 WeakPolarHBondContact CB-O 3.46Å; A95-E132 HydrophobicContact CB-CB 4.41Å; A95-E132 HydrophobicContact CB-CG 3.61Å
96E96.8Very high94.7Very high84 Ų8442 Ų4239%0.39321%0.214SC..EExtended strand (participates in β ladder)trans-142.3127.1177-176176.1171.400110V89 T90 L98V89-E96 WeakPolarHBondContact CA-O 3.22Å; T90-E96 PolarHBondContact N-O 3.21Å; T90-E96 PolarHBondContact O-N 3.35Å; E96-L98 HydrophobicContact CG-CD2 4.07Å; E96-L98 PolarHBondContact O-N 2.85Å
97V97.5Very high94.8Very high45 Ų4546.4 Ų46.427%0.27323%0.234SC..EExtended strand (participates in β ladder)trans-84.699.5174.8-176.60000108.6V89 P100 E132V89-V97 HydrophobicContact CG2-CG2 4.3Å; V97-P100 HydrophobicContact CG1-CG 4.32Å; V97-E132 HydrophobicContact CG2-CB 4.12Å; V97-E132 HydrophobicContact CG2-CG 4.44Å
98L96.9Very high94.7Very high12 Ų1246.6 Ų46.66%0.06324%0.236CC..EExtended strand (participates in β ladder)trans-77.3-31.4177.7-65.3-177.8000112.2F88 T90 E96 R114 L115 V118F88-L98 HydrophobicContact CB-CB 4.28Å; F88-L98 PolarHBondContact O-N 3.42Å; T90-L98 HydrophobicContact CG2-CD1 3.42Å; T90-L98 VanDerWaalsContact CG2-CD1 3.42Å; T90-L98 HydrophobicContact CG2-CG 4.08Å; E96-L98 HydrophobicContact CG-CD2 4.07Å; E96-L98 PolarHBondContact O-N 2.85Å; L98-R114 PolarHBondContact O-NE 2.92Å; L98-R114 PolarHBondContact O-NH1 3.26Å; L98-R114 PolarHBondContact O-NH2 3.07Å; L98-L115 HydrophobicContact CD1-CB 4.44Å; L98-L115 HydrophobicContact CD1-CD1 3.75Å; L98-V118 HydrophobicContact CD1-CG2 3.53Å
99L96.9Very high94.6Very high1 Ų151.9 Ų51.91%0.00526%0.26CS..EExtended strand (participates in β ladder)trans-137.6110.4174.8179.167.9000107.6S87 F88 T102 E107 I108S87-L99 CarbonylContact C-O 3.49Å; S87-L99 VanDerWaalsContact CA-O 3.25Å; S87-L99 WeakPolarHBondContact CA-O 3.35Å; S87-L99 PolarHBondContact OG-O 3.35Å; S87-L99 VanDerWaalsContact OG-O 3.07Å; F88-L99 HydrophobicContact CB-CB 3.84Å; F88-L99 HydrophobicContact CD2-CB 3.56Å; F88-L99 HydrophobicContact CD2-CD2 3.58Å; F88-L99 HydrophobicContact CD2-CG 4.23Å; F88-L99 HydrophobicContact CE2-CB 4.36Å; F88-L99 HydrophobicContact CE2-CD2 3.53Å; F88-L99 HydrophobicContact CG-CB 3.9Å; F88-L99 HydrophobicContact CG-CD2 4.14Å; F88-L99 HydrophobicContact CZ-CD2 4.09Å; F88-L99 PolarHBondContact N-O 3.3Å; F88-L99 PolarHBondContact O-N 2.98Å; F88-L99 VanDerWaalsContact O-N 3.12Å; L99-T102 HydrophobicContact CD1-CG2 3.8Å; L99-T102 HydrophobicContact CD2-CG2 4.27Å; L99-T102 HydrophobicContact CG-CG2 4.12Å; L99-E107 HydrophobicContact CD1-CB 4.24Å; L99-E107 VanDerWaalsContact CD1-O 3.29Å; L99-E107 WeakPolarHBondContact CD1-O 3.42Å; L99-I108 HydrophobicContact CD2-CB 4.39Å; L99-I108 HydrophobicContact CD2-CG1 4.03Å
100P95.9Very high94.5Very high76 Ų7654.8 Ų54.849%0.49427%0.274SS..EExtended strand (participates in β ladder)trans-59.6154.1168.2-20.432.8000110.3V97 T102V97-P100 HydrophobicContact CG1-CG 4.32Å; P100-T102 PolarHBondContact O-N 3.26Å
101L93.8Very high94.4Very high34 Ų3454.8 Ų54.818%0.17827%0.274CS..EExtended strand (participates in β ladder)trans-54.8116.3-178.9-174.778000112.6D50 Y52 R85 V86 Q140D50-L101 HydrophobicContact CB-CD1 3.93Å; D50-L101 HydrophobicContact CB-CD2 4.24Å; Y52-L101 HydrophobicContact CE1-CB 4.34Å; Y52-L101 HydrophobicContact CE1-CD1 4.13Å; Y52-L101 HydrophobicContact CE2-CD1 4.44Å; Y52-L101 WeakPolarHBondContact OH-CD2 3.23Å; R85-L101 HydrophobicContact CB-CD1 3.66Å; R85-L101 HydrophobicContact CB-CD2 4.4Å; R85-L101 HydrophobicContact CB-CG 3.81Å; V86-L101 WeakPolarHBondContact O-CA 3.12Å; L101-Q140 HydrophobicContact CD2-CG 4.43Å
102T92.1Very high94.4Very high18 Ų1855.3 Ų55.311%0.1128%0.277CS..EExtended strand (participates in β ladder)trans-147.2151.5-179.4-172.80000111.6R85 V86 L99 P100 D104 E107 I108R85-T102 CarbonylContact C-O 3.56Å; R85-T102 VanDerWaalsContact CA-O 3.23Å; R85-T102 WeakPolarHBondContact CA-O 3.39Å; V86-T102 PolarHBondContact N-O 3.16Å; V86-T102 PolarHBondContact O-N 2.64Å; L99-T102 HydrophobicContact CD1-CG2 3.8Å; L99-T102 HydrophobicContact CD2-CG2 4.27Å; L99-T102 HydrophobicContact CG-CG2 4.12Å; P100-T102 PolarHBondContact O-N 3.26Å; T102-D104 PolarHBondContact OG1-N 2.83Å; T102-D104 VanDerWaalsContact OG1-N 3.16Å; T102-E107 WeakPolarHBondContact CB-OE2 3.49Å; T102-E107 HydrophobicContact CG2-CB 3.81Å; T102-E107 WeakPolarHBondContact CG2-OE2 3.4Å; T102-E107 PolarHBondContact OG1-OE2 3.49Å; T102-I108 HydrophobicContact CG2-CG1 4.06Å
103G89.4Confident94.5Very high35 Ų3560.1 Ų60.136%0.36130%0.297SS..  trans-101.8-0.9169.900000112.9R105G103-R105 PolarHBondContact O-N 2.83Å
104D91.1Very high94.6Very high80 Ų8062.9 Ų62.943%0.42830%0.299SS..  trans-74.6120.5-179.7-169.6-25.6000110.4T102 Y106 E107 I108T102-D104 PolarHBondContact OG1-N 2.83Å; T102-D104 VanDerWaalsContact OG1-N 3.16Å; D104-Y106 VanDerWaalsContact C-N 3.27Å; D104-Y106 PolarHBondContact O-N 3.25Å; D104-Y106 WeakPolarHBondContact OD1-CB 3.45Å; D104-Y106 PolarHBondContact OD1-N 2.83Å; D104-E107 HydrophobicContact CB-CB 4.18Å; D104-E107 HydrophobicContact CB-CG 4.01Å; D104-E107 PolarHBondContact O-N 2.73Å; D104-I108 WeakPolarHBondContact O-CD1 3.48Å; D104-I108 WeakPolarHBondContact O-CG1 3.41Å; D104-I108 PolarHBondContact O-N 3.43Å
105R89.1Confident94.7Very high92 Ų9254.8 Ų54.835%0.34727%0.268SS..Hα-helixtrans-61.7-35.2-179.7-68-66.8-176.8-177.5-5.8112.3F79 V80 G103 I108 E109F79-R105 PolarHBondContact O-NH1 3.05Å; F79-R105 PolarHBondContact O-NH2 3.06Å; V80-R105 VanDerWaalsContact C-NH2 3.34Å; V80-R105 PolarHBondContact O-NH2 3.06Å; G103-R105 PolarHBondContact O-N 2.83Å; R105-I108 PolarHBondContact O-N 3.43Å; R105-E109 WeakPolarHBondContact O-CG 3.42Å; R105-E109 PolarHBondContact O-N 2.81Å
106Y92.6Very high94.7Very high153 Ų15358 Ų5860%0.628%0.279SS*.Hα-helixtrans-66.6-46178.3179-102000111.2D104 I108 E109 E110D104-Y106 VanDerWaalsContact C-N 3.27Å; D104-Y106 PolarHBondContact O-N 3.25Å; D104-Y106 WeakPolarHBondContact OD1-CB 3.45Å; D104-Y106 PolarHBondContact OD1-N 2.83Å; Y106-I108 VanDerWaalsContact C-N 3.33Å; Y106-I108 PolarHBondContact O-N 2.83Å; Y106-E109 PolarHBondContact O-N 2.97Å; Y106-E110 HydrophobicContact CE1-CG 4.18Å; Y106-E110 PolarHBondContact O-N 3.15Å
107E94.7Very high94.7Very high92 Ų9259.5 Ų59.543%0.4329%0.29SS..Hα-helixtrans-64.5-38176.7-65.2-172.1157.400112L99 T102 D104 E110 G111L99-E107 HydrophobicContact CD1-CB 4.24Å; L99-E107 VanDerWaalsContact CD1-O 3.29Å; L99-E107 WeakPolarHBondContact CD1-O 3.42Å; T102-E107 WeakPolarHBondContact CB-OE2 3.49Å; T102-E107 HydrophobicContact CG2-CB 3.81Å; T102-E107 WeakPolarHBondContact CG2-OE2 3.4Å; T102-E107 PolarHBondContact OG1-OE2 3.49Å; D104-E107 HydrophobicContact CB-CB 4.18Å; D104-E107 HydrophobicContact CB-CG 4.01Å; D104-E107 PolarHBondContact O-N 2.73Å; E107-E110 PolarHBondContact O-N 3.01Å; E107-G111 PolarHBondContact O-N 3.09Å
108I93.7Very high94.6Very high5 Ų558.4 Ų58.43%0.02628%0.284CS..Hα-helixtrans-62.5-45.1175.4-68.8164.7000110.9T76 V86 F88 L99 T102 D104 R105 Y106 G111 L112T76-I108 HydrophobicContact CG2-CG2 3.52Å; V86-I108 HydrophobicContact CB-CD1 4.48Å; V86-I108 HydrophobicContact CG2-CD1 4.43Å; F88-I108 HydrophobicContact CZ-CG2 4.48Å; L99-I108 HydrophobicContact CD2-CB 4.39Å; L99-I108 HydrophobicContact CD2-CG1 4.03Å; T102-I108 HydrophobicContact CG2-CG1 4.06Å; D104-I108 WeakPolarHBondContact O-CD1 3.48Å; D104-I108 WeakPolarHBondContact O-CG1 3.41Å; D104-I108 PolarHBondContact O-N 3.43Å; R105-I108 PolarHBondContact O-N 3.43Å; Y106-I108 VanDerWaalsContact C-N 3.33Å; Y106-I108 PolarHBondContact O-N 2.83Å; I108-G111 PolarHBondContact O-N 2.71Å; I108-L112 HydrophobicContact CG2-CD1 4.34Å; I108-L112 WeakPolarHBondContact O-CG 3.4Å; I108-L112 PolarHBondContact O-N 3.36Å
109E93.7Very high94.5Very high110 Ų11063.5 Ų63.551%0.51432%0.315SS..Hα-helixtrans-61.7-42.4176.1-76.7178.8-168.100112R105 Y106 L112 K113R105-E109 WeakPolarHBondContact O-CG 3.42Å; R105-E109 PolarHBondContact O-N 2.81Å; Y106-E109 PolarHBondContact O-N 2.97Å; E109-L112 PolarHBondContact O-N 2.98Å; E109-K113 WeakPolarHBondContact O-CG 3.28Å; E109-K113 PolarHBondContact O-N 3.42Å
110E96.1Very high94.4Very high61 Ų6164.3 Ų64.329%0.28532%0.32SS..Hα-helixtrans-66.1-36.4173.5-71.3-58126.900112.4Y106 E107 K113 R114Y106-E110 HydrophobicContact CE1-CG 4.18Å; Y106-E110 PolarHBondContact O-N 3.15Å; E107-E110 PolarHBondContact O-N 3.01Å; E110-K113 PolarHBondContact O-N 3.04Å; E110-K113 WeakPolarHBondContact OE1-CD 3.39Å; E110-K113 IonicContact OE1-NZ 2.96Å; E110-K113 PolarHBondContact OE1-NZ 3.42Å; E110-R114 WeakPolarHBondContact O-CG 3.06Å; E110-R114 PolarHBondContact O-N 3.34Å
111G96.4Very high94.3Very high0 Ų063.1 Ų63.10%032%0.317CS..Hα-helixtrans-60.3-43.8171.100000112.3E107 I108 R114 L115E107-G111 PolarHBondContact O-N 3.09Å; I108-G111 PolarHBondContact O-N 2.71Å; G111-R114 PolarHBondContact O-N 2.97Å; G111-L115 WeakPolarHBondContact O-CB 3.34Å; G111-L115 PolarHBondContact O-N 2.9Å
112L96.1Very high94.2Very high12 Ų1263.1 Ų63.16%0.06333%0.325CS..Hα-helixtrans-65.1-39.1176-74.3170.4000111.7Y69 V72 K73 F88 I108 E109 L115 H116Y69-L112 HydrophobicContact CE2-CB 4.38Å; Y69-L112 HydrophobicContact CE2-CD2 4.41Å; Y69-L112 WeakPolarHBondContact CE2-O 3.36Å; V72-L112 HydrophobicContact CG1-CD2 4.18Å; K73-L112 HydrophobicContact CB-CD2 4.21Å; K73-L112 HydrophobicContact CG-CD1 4.37Å; F88-L112 HydrophobicContact CE2-CD2 3.84Å; F88-L112 HydrophobicContact CE2-CG 3.84Å; F88-L112 HydrophobicContact CZ-CD2 3.67Å; F88-L112 HydrophobicContact CZ-CG 3.95Å; I108-L112 HydrophobicContact CG2-CD1 4.34Å; I108-L112 WeakPolarHBondContact O-CG 3.4Å; I108-L112 PolarHBondContact O-N 3.36Å; E109-L112 PolarHBondContact O-N 2.98Å; L112-L115 PolarHBondContact O-N 3.19Å; L112-H116 WeakPolarHBondContact O-CB 3.46Å; L112-H116 PolarHBondContact O-N 3.42Å
113K96.6Very high94.2Very high105 Ų10567.2 Ų67.246%0.45734%0.343SS..Hα-helixtrans-62.6-42.5173.5-70.7173.5-168.4168.70111.9E109 E110 H116 N117E109-K113 WeakPolarHBondContact O-CG 3.28Å; E109-K113 PolarHBondContact O-N 3.42Å; E110-K113 PolarHBondContact O-N 3.04Å; E110-K113 WeakPolarHBondContact OE1-CD 3.39Å; E110-K113 IonicContact OE1-NZ 2.96Å; E110-K113 PolarHBondContact OE1-NZ 3.42Å; K113-H116 PolarHBondContact O-N 2.85Å; K113-N117 PolarHBondContact O-N 3.43Å; K113-N117 PolarHBondContact O-ND2 3.04Å
114R97Very high94.4Very high116 Ų11667.2 Ų67.244%0.43834%0.336SS..Hα-helixtrans-62.1-45.6173.9-75.4-177.1-77.1170.6-2.3111.2L98 E110 G111 H116 N117 V118L98-R114 PolarHBondContact O-NE 2.92Å; L98-R114 PolarHBondContact O-NH1 3.26Å; L98-R114 PolarHBondContact O-NH2 3.07Å; E110-R114 WeakPolarHBondContact O-CG 3.06Å; E110-R114 PolarHBondContact O-N 3.34Å; G111-R114 PolarHBondContact O-N 2.97Å; R114-H116 VanDerWaalsContact C-N 3.35Å; R114-H116 PolarHBondContact O-N 3.08Å; R114-N117 PolarHBondContact O-N 2.86Å; R114-N117 VanDerWaalsContact O-N 3.14Å; R114-V118 PolarHBondContact O-N 2.85Å
115L96.4Very high94.6Very high0 Ų067.5 Ų67.50%033%0.332CS..Hα-helixtrans-60.7-41.5177.9-171.869.3000112.4L55 W65 Y69 V72 T90 L98 G111 L112 N117 V118L55-L115 HydrophobicContact CD1-CD1 3.6Å; L55-L115 HydrophobicContact CD1-CD2 3.86Å; L55-L115 HydrophobicContact CD1-CG 4.38Å; W65-L115 HydrophobicContact CH2-CD1 3.84Å; W65-L115 HydrophobicContact CZ2-CD1 3.56Å; W65-L115 HydrophobicContact CZ2-CG 4.07Å; W65-L115 WeakPolarHBondContact CZ2-O 3.45Å; W65-L115 PolarHBondContact NE1-O 3.26Å; Y69-L115 HydrophobicContact CD2-CB 4.49Å; Y69-L115 HydrophobicContact CD2-CD2 4.3Å; Y69-L115 HydrophobicContact CD2-CG 4.38Å; V72-L115 HydrophobicContact CB-CD2 4.01Å; V72-L115 HydrophobicContact CG1-CD2 3.76Å; V72-L115 HydrophobicContact CG2-CD2 4.29Å; T90-L115 HydrophobicContact CG2-CD1 3.82Å; L98-L115 HydrophobicContact CD1-CB 4.44Å; L98-L115 HydrophobicContact CD1-CD1 3.75Å; G111-L115 WeakPolarHBondContact O-CB 3.34Å; G111-L115 PolarHBondContact O-N 2.9Å; L112-L115 PolarHBondContact O-N 3.19Å; L115-N117 PolarHBondContact O-N 3.34Å; L115-V118 WeakPolarHBondContact O-CB 3.12Å; L115-V118 WeakPolarHBondContact O-CG2 3.36Å; L115-V118 PolarHBondContact O-N 3.24Å
116H96.4Very high94.9Very high86 Ų8663.1 Ų63.140%0.39832%0.315SS..Hα-helixtrans-57-36.9175.6176.1-87.3000112.5Y69 L112 K113 R114Y69-H116 AromaticContact CD1-CD2 4Å; Y69-H116 HydrophobicContact CD2-CB 3.97Å; Y69-H116 AromaticContact CE1-CD2 3.67Å; Y69-H116 HydrophobicContact CE2-CB 3.71Å; Y69-H116 HydrophobicContact CG-CB 4.47Å; Y69-H116 AromaticContact CZ-CD2 3.89Å; L112-H116 WeakPolarHBondContact O-CB 3.46Å; L112-H116 PolarHBondContact O-N 3.42Å; K113-H116 PolarHBondContact O-N 2.85Å; R114-H116 VanDerWaalsContact C-N 3.35Å; R114-H116 PolarHBondContact O-N 3.08Å
117N95.7Very high95.1Very high116 Ų11656.9 Ų56.962%0.6229%0.291SS*.THydrogen-bonded Turntrans-902.3-174.8-63.2-23.9000113.9K113 R114 L115K113-N117 PolarHBondContact O-N 3.43Å; K113-N117 PolarHBondContact O-ND2 3.04Å; R114-N117 PolarHBondContact O-N 2.86Å; R114-N117 VanDerWaalsContact O-N 3.14Å; L115-N117 PolarHBondContact O-N 3.34Å
118V95.3Very high95.2Very high23 Ų2354.8 Ų54.814%0.13928%0.282CS..  trans-64.8135.4175.8171.60000109.8R57 W65 L98 R114 L115R57-V118 HydrophobicContact CB-CG1 4.06Å; R57-V118 HydrophobicContact CG-CG1 4.48Å; W65-V118 HydrophobicContact CH2-CB 4.43Å; W65-V118 HydrophobicContact CH2-CG1 4.13Å; W65-V118 HydrophobicContact CZ2-CB 3.51Å; W65-V118 HydrophobicContact CZ2-CG1 3.64Å; W65-V118 HydrophobicContact CZ2-CG2 3.98Å; W65-V118 PolarHBondContact NE1-O 2.9Å; L98-V118 HydrophobicContact CD1-CG2 3.53Å; R114-V118 PolarHBondContact O-N 2.85Å; L115-V118 WeakPolarHBondContact O-CB 3.12Å; L115-V118 WeakPolarHBondContact O-CG2 3.36Å; L115-V118 PolarHBondContact O-N 3.24Å
119V94.8Very high95.4Very high118 Ų11854.5 Ų54.572%0.71528%0.28SS*.  trans-103.3111.4172.1-177.70000108A121V119-A121 PolarHBondContact O-N 3.36Å
120P95.1Very high95.5Very high18 Ų1849.3 Ų49.312%0.11726%0.256CS..  trans-68131.8-179.8-18.530.7000112R57 S58 V61 W65R57-P120 HydrophobicContact CB-CB 4.48Å; R57-P120 CarbonylContact O-C 3.54Å; R57-P120 WeakPolarHBondContact O-CA 3.32Å; R57-P120 WeakPolarHBondContact O-CB 3.43Å; S58-P120 VanDerWaalsContact O-CB 3.27Å; S58-P120 WeakPolarHBondContact O-CB 3.26Å; V61-P120 HydrophobicContact CG2-CB 3.89Å; V61-P120 HydrophobicContact CG2-CG 4.37Å; W65-P120 HydrophobicContact CB-CG 3.59Å; W65-P120 HydrophobicContact CD2-CG 3.75Å; W65-P120 HydrophobicContact CE3-CG 3.9Å; W65-P120 HydrophobicContact CG-CG 3.61Å
121A93.4Very high95.6Very high51 Ų5150.4 Ų50.442%0.42126%0.26SS..  trans-168.4153.8-179.800000110.4R57 S92 V119R57-A121 PolarHBondContact O-N 3.09Å; S92-A121 WeakPolarHBondContact CB-O 3.27Å; S92-A121 PolarHBondContact OG-O 3.35Å; V119-A121 PolarHBondContact O-N 3.36Å
122G92.9Very high95.6Very high35 Ų3553.5 Ų53.536%0.36127%0.274SS..SBendtrans97.2-170.8176.500000113.6S58 G59S58-G122 WeakPolarHBondContact CA-O 3.34Å; S58-G122 WeakPolarHBondContact CB-O 3.17Å; G59-G122 PolarHBondContact N-O 2.84Å
123E91.9Very high95.6Very high103 Ų10353 Ų5348%0.48127%0.271SS..  trans-80.7-178.6-176.7-56.2-53.9141.200112.1S58 S92 S93 Y125S58-E123 VanDerWaalsContact CB-O 3.25Å; S58-E123 WeakPolarHBondContact CB-O 3.43Å; S92-E123 CarbonylContact C-O 3.57Å; S92-E123 WeakPolarHBondContact CA-O 3.38Å; S92-E123 WeakPolarHBondContact CB-O 3.47Å; S93-E123 PolarHBondContact N-O 2.85Å; S93-E123 PolarHBondContact OG-N 2.92Å; S93-E123 VanDerWaalsContact OG-N 3.09Å; E123-Y125 HydrophobicContact CB-CD1 4.3Å; E123-Y125 HydrophobicContact CB-CE1 4.03Å
124T93.4Very high95.5Very high36 Ų3648.2 Ų48.222%0.22125%0.251CS..  trans-112.161.4-174.7-48.20000112.2D56 S58 F91 M126 L156D56-T124 VanDerWaalsContact OD2-CG2 3.26Å; D56-T124 WeakPolarHBondContact OD2-CG2 3.38Å; S58-T124 WeakPolarHBondContact CB-OG1 3.41Å; S58-T124 PolarHBondContact OG-OG1 2.9Å; F91-T124 HydrophobicContact CE2-CG2 3.87Å; T124-M126 VanDerWaalsContact C-N 3.32Å; T124-M126 PolarHBondContact O-N 2.96Å; T124-L156 HydrophobicContact CG2-CD2 4.39Å
125Y95.5Very high95.4Very high86 Ų8645 Ų4534%0.33725%0.249SC..  trans-83.671.6179.9-62-16000112.5S92 S93 E123 H127 E128 I160S92-Y125 WeakPolarHBondContact O-CA 3.23Å; S92-Y125 WeakPolarHBondContact O-CB 3.09Å; S92-Y125 PolarHBondContact O-N 2.86Å; S93-Y125 VanDerWaalsContact O-CD2 3.28Å; S93-Y125 WeakPolarHBondContact O-CD2 3.43Å; E123-Y125 HydrophobicContact CB-CD1 4.3Å; E123-Y125 HydrophobicContact CB-CE1 4.03Å; Y125-H127 VanDerWaalsContact CB-CE1 3.49Å; Y125-H127 WeakPolarHBondContact CB-CE1 3.11Å; Y125-H127 AromaticContact CG-CE1 3.75Å; Y125-H127 PolarHBondContact O-N 3.26Å; Y125-E128 PolarHBondContact O-N 3.34Å; Y125-E128 VanDerWaalsContact O-N 3.14Å; Y125-I160 HydrophobicContact CD1-CD1 3.51Å; Y125-I160 HydrophobicContact CD1-CG1 4.11Å; Y125-I160 HydrophobicContact CE1-CD1 3.58Å; Y125-I160 HydrophobicContact CE1-CG1 4.22Å; Y125-I160 HydrophobicContact CG-CD1 4.43Å
126M95.7Very high95.3Very high0 Ų046.2 Ų46.20%026%0.255CS..Hα-helixtrans-59.3-32.4-178-169.7160.277.200113.7F91 T124 E128 G129 I130 A150 T152 L156 T164 L191 I194F91-M126 VanDerWaalsContact CD2-CA 3.47Å; F91-M126 HydrophobicContact CD2-CB 4.18Å; F91-M126 HydrophobicContact CE1-CB 4.35Å; F91-M126 HydrophobicContact CE1-CG 3.87Å; F91-M126 HydrophobicContact CE1-SD 4.37Å; F91-M126 VanDerWaalsContact CE2-CA 3.43Å; F91-M126 HydrophobicContact CE2-CB 3.59Å; F91-M126 HydrophobicContact CE2-CG 4.02Å; F91-M126 HydrophobicContact CZ-CB 3.68Å; F91-M126 HydrophobicContact CZ-CG 3.55Å; F91-M126 HydrophobicContact CZ-SD 3.88Å; T124-M126 VanDerWaalsContact C-N 3.32Å; T124-M126 PolarHBondContact O-N 2.96Å; M126-E128 VanDerWaalsContact C-N 3.28Å; M126-E128 PolarHBondContact O-N 3.2Å; M126-G129 PolarHBondContact O-N 3.43Å; M126-I130 PolarHBondContact O-N 2.97Å; M126-I130 VanDerWaalsContact O-N 3.09Å; M126-A150 HydrophobicContact SD-CB 4.19Å; M126-T152 HydrophobicContact SD-CG2 4.22Å; M126-L156 HydrophobicContact CB-CD2 3.8Å; M126-L156 HydrophobicContact CE-CD1 3.54Å; M126-L156 HydrophobicContact CE-CD2 4.25Å; M126-L156 HydrophobicContact CE-CG 4.48Å; M126-T164 HydrophobicContact CB-CG2 4.19Å; M126-T164 HydrophobicContact CE-CG2 3.53Å; M126-T164 HydrophobicContact CG-CG2 4.07Å; M126-L191 HydrophobicContact CE-CD2 4.47Å; M126-I194 HydrophobicContact CE-CD1 3.53Å; M126-I194 HydrophobicContact CE-CG2 4.18Å
127H96.4Very high95Very high21 Ų2142.7 Ų42.710%0.09724%0.239CC..Hα-helixtrans-55.9-38175.763.6-83.2000113.1Y125 G129 I130 K131 L163 T164 Q167Y125-H127 VanDerWaalsContact CB-CE1 3.49Å; Y125-H127 WeakPolarHBondContact CB-CE1 3.11Å; Y125-H127 AromaticContact CG-CE1 3.75Å; Y125-H127 PolarHBondContact O-N 3.26Å; H127-G129 VanDerWaalsContact C-N 3.33Å; H127-G129 PolarHBondContact O-N 3.35Å; H127-I130 PolarHBondContact O-N 3.22Å; H127-K131 VanDerWaalsContact O-CB 3.23Å; H127-K131 WeakPolarHBondContact O-CB 3.4Å; H127-K131 PolarHBondContact O-N 3.03Å; H127-L163 HydrophobicContact CB-CB 3.93Å; H127-T164 PolarHBondContact N-OG1 3.12Å; H127-Q167 HydrophobicContact CB-CG 4.07Å
128E97.1Very high94.7Very high48 Ų4843.6 Ų43.622%0.22424%0.238CC..Hα-helixtrans-67-35.7176.3-72.4-63.6137.200111.3A95 Y125 M126 K131 E132A95-E128 VanDerWaalsContact CB-C 3.46Å; A95-E128 HydrophobicContact CB-CB 3.8Å; A95-E128 WeakPolarHBondContact CB-O 3.46Å; Y125-E128 PolarHBondContact O-N 3.34Å; Y125-E128 VanDerWaalsContact O-N 3.14Å; M126-E128 VanDerWaalsContact C-N 3.28Å; M126-E128 PolarHBondContact O-N 3.2Å; E128-K131 VanDerWaalsContact CD-NZ 3.34Å; E128-K131 WeakPolarHBondContact O-CB 3.43Å; E128-K131 PolarHBondContact O-N 2.97Å; E128-K131 IonicContact OE1-NZ 2.97Å; E128-K131 PolarHBondContact OE1-NZ 3.3Å; E128-K131 IonicContact OE2-NZ 2.86Å; E128-K131 PolarHBondContact OE2-NZ 3.45Å; E128-E132 WeakPolarHBondContact O-CG 3.4Å; E128-E132 PolarHBondContact O-N 2.96Å
129G96.9Very high94.4Very high0 Ų050.5 Ų50.50%027%0.269CS..Hα-helixtrans-65-44.9175.800000112.7M126 H127 K131 E132 A133M126-G129 PolarHBondContact O-N 3.43Å; H127-G129 VanDerWaalsContact C-N 3.33Å; H127-G129 PolarHBondContact O-N 3.35Å; G129-K131 VanDerWaalsContact C-N 3.32Å; G129-K131 PolarHBondContact O-N 2.9Å; G129-E132 PolarHBondContact O-N 3.44Å; G129-A133 PolarHBondContact O-N 3.32Å; G129-A133 VanDerWaalsContact O-N 3.15Å
130I96.9Very high93.8Very high0 Ų046.7 Ų46.70%024%0.243CC..Hα-helixtrans-66.6-36.2176.7-62.7-176.4000111.2V54 M126 H127 A133 S134 I148 T164 Q167 A168 A171 I194V54-I130 HydrophobicContact CG1-CG1 4.44Å; M126-I130 PolarHBondContact O-N 2.97Å; M126-I130 VanDerWaalsContact O-N 3.09Å; H127-I130 PolarHBondContact O-N 3.22Å; I130-A133 PolarHBondContact O-N 2.78Å; I130-S134 WeakPolarHBondContact O-CB 3.13Å; I130-S134 PolarHBondContact O-N 3Å; I130-S134 PolarHBondContact O-OG 3.11Å; I130-I148 HydrophobicContact CG2-CD1 4.47Å; I130-T164 HydrophobicContact CD1-CG2 3.57Å; I130-Q167 HydrophobicContact CB-CB 4.2Å; I130-Q167 HydrophobicContact CG2-CB 3.95Å; I130-A168 HydrophobicContact CD1-CB 4.33Å; I130-A171 HydrophobicContact CG2-CB 4.43Å; I130-I194 HydrophobicContact CD1-CG2 4.04Å
131K97.2Very high92.6Very high84 Ų8451.6 Ų51.637%0.36528%0.278SS..Hα-helixtrans-62-45.7176177.1-179.1163.8-154.70112.2H127 E128 G129 S134 A135 Q167H127-K131 VanDerWaalsContact O-CB 3.23Å; H127-K131 WeakPolarHBondContact O-CB 3.4Å; H127-K131 PolarHBondContact O-N 3.03Å; E128-K131 VanDerWaalsContact CD-NZ 3.34Å; E128-K131 WeakPolarHBondContact O-CB 3.43Å; E128-K131 PolarHBondContact O-N 2.97Å; E128-K131 IonicContact OE1-NZ 2.97Å; E128-K131 PolarHBondContact OE1-NZ 3.3Å; E128-K131 IonicContact OE2-NZ 2.86Å; E128-K131 PolarHBondContact OE2-NZ 3.45Å; G129-K131 VanDerWaalsContact C-N 3.32Å; G129-K131 PolarHBondContact O-N 2.9Å; K131-S134 WeakPolarHBondContact O-CB 3.48Å; K131-S134 PolarHBondContact O-N 2.81Å; K131-A135 WeakPolarHBondContact O-CB 3.41Å; K131-A135 PolarHBondContact O-N 2.79Å; K131-Q167 HydrophobicContact CB-CG 4.45Å
132E97.2Very high91.4Very high66 Ų6652.9 Ų52.931%0.30828%0.28SS..Hα-helixtrans-64.3-39.8175.6-73-58.6149.100112.5V89 A95 V97 E128 G129 A135 Q136V89-E132 HydrophobicContact CG1-CB 3.89Å; A95-E132 HydrophobicContact CB-CB 4.41Å; A95-E132 HydrophobicContact CB-CG 3.61Å; V97-E132 HydrophobicContact CG2-CB 4.12Å; V97-E132 HydrophobicContact CG2-CG 4.44Å; E128-E132 WeakPolarHBondContact O-CG 3.4Å; E128-E132 PolarHBondContact O-N 2.96Å; G129-E132 PolarHBondContact O-N 3.44Å; E132-A135 PolarHBondContact O-N 3.17Å; E132-Q136 PolarHBondContact O-N 3.25Å
133A95.9Very high90.1Very high0 Ų058.6 Ų58.60%030%0.295CS..Hα-helixtrans-62.2-44.7172.600000111.3Y52 V54 G129 I130 A135 Q136 I137 I148Y52-A133 HydrophobicContact CD1-CB 4.17Å; Y52-A133 HydrophobicContact CG-CB 4.29Å; V54-A133 HydrophobicContact CG2-CB 3.98Å; G129-A133 PolarHBondContact O-N 3.32Å; G129-A133 VanDerWaalsContact O-N 3.15Å; I130-A133 PolarHBondContact O-N 2.78Å; A133-A135 VanDerWaalsContact C-N 3.33Å; A133-A135 PolarHBondContact O-N 2.96Å; A133-Q136 PolarHBondContact O-N 2.87Å; A133-I137 WeakPolarHBondContact O-CG1 3.38Å; A133-I137 PolarHBondContact O-N 2.86Å; A133-I148 HydrophobicContact CB-CD1 4.09Å; A133-I148 HydrophobicContact CB-CG1 4.34Å
134S94.3Very high88.9Confident5 Ų555.1 Ų55.14%0.03528%0.282CS..Hα-helixtrans-63.4-37.4178.3-59.20000112.6I130 K131 I137 K138 A171I130-S134 WeakPolarHBondContact O-CB 3.13Å; I130-S134 PolarHBondContact O-N 3Å; I130-S134 PolarHBondContact O-OG 3.11Å; K131-S134 WeakPolarHBondContact O-CB 3.48Å; K131-S134 PolarHBondContact O-N 2.81Å; S134-I137 PolarHBondContact O-N 2Å; S134-K138 WeakPolarHBondContact O-CB 3.29Å; S134-K138 PolarHBondContact O-N 3.21Å; S134-A171 VanDerWaalsContact OG-CB 3.25Å; S134-A171 WeakPolarHBondContact OG-CB 3.5Å
135A94.9Very high88.1Confident48 Ų4854.8 Ų54.840%0.39728%0.281SS..Hα-helixtrans-61.8-44.5175.600000111.4K131 E132 A133 K138 Q139K131-A135 WeakPolarHBondContact O-CB 3.41Å; K131-A135 PolarHBondContact O-N 2.79Å; E132-A135 PolarHBondContact O-N 3.17Å; A133-A135 VanDerWaalsContact C-N 3.33Å; A133-A135 PolarHBondContact O-N 2.96Å; A135-K138 PolarHBondContact O-N 2.94Å; A135-Q139 PolarHBondContact O-N 2.81Å
136Q94.2Very high87.7Confident27 Ų2750.7 Ų50.713%0.12627%0.265CS..Hα-helixtrans-62.6-45.1174.9-70.7-17477.300111.9Y52 S87 E132 A133 K138 Q139 Q140Y52-Q136 HydrophobicContact CE1-CB 3.69Å; S87-Q136 PolarHBondContact OG-NE2 3.12Å; S87-Q136 PolarHBondContact OG-OE1 2.89Å; E132-Q136 PolarHBondContact O-N 3.25Å; A133-Q136 PolarHBondContact O-N 2.87Å; Q136-K138 VanDerWaalsContact C-N 3.29Å; Q136-K138 PolarHBondContact O-N 3.49Å; Q136-Q139 PolarHBondContact O-N 3.07Å; Q136-Q139 VanDerWaalsContact O-N 3.14Å; Q136-Q140 WeakPolarHBondContact O-CG 3.46Å; Q136-Q140 PolarHBondContact O-N 2.95Å
137I90.6Very high87.3Confident12 Ų1250.9 Ų50.96%0.06227%0.266CS..Hα-helixtrans-57.5-43.9176.8-65.9168.8000110.8Y52 A133 S134 Q139 Q140 I148 A176Y52-I137 HydrophobicContact CD2-CD1 4.12Å; Y52-I137 HydrophobicContact CD2-CG1 4.15Å; Y52-I137 HydrophobicContact CE1-CG1 4.16Å; Y52-I137 HydrophobicContact CE2-CD1 3.84Å; Y52-I137 HydrophobicContact CE2-CG1 3.41Å; Y52-I137 VanDerWaalsContact CE2-CG1 3.41Å; Y52-I137 WeakPolarHBondContact OH-CG1 3.25Å; A133-I137 WeakPolarHBondContact O-CG1 3.38Å; A133-I137 PolarHBondContact O-N 2.86Å; S134-I137 PolarHBondContact O-N 2Å; I137-Q139 VanDerWaalsContact C-N 3.32Å; I137-Q139 PolarHBondContact O-N 2.82Å; I137-Q140 WeakPolarHBondContact O-CB 3.38Å; I137-Q140 PolarHBondContact O-N 2.88Å; I137-I148 HydrophobicContact CD1-CD1 4.02Å; I137-I148 HydrophobicContact CD1-CG1 4.19Å; I137-A176 HydrophobicContact CD1-CB 3.7Å
138K90.1Very high87.2Confident134 Ų13449.9 Ų49.958%0.58326%0.262SS*.Hα-helixtrans-66.2-32.8179.2-175.1178.7-179175.30113S134 A135 Q136 Q140 Y174S134-K138 WeakPolarHBondContact O-CB 3.29Å; S134-K138 PolarHBondContact O-N 3.21Å; A135-K138 PolarHBondContact O-N 2.94Å; Q136-K138 VanDerWaalsContact C-N 3.29Å; Q136-K138 PolarHBondContact O-N 3.49Å; K138-Q140 VanDerWaalsContact C-N 3.29Å; K138-Y174 HydrophobicContact CD-CE1 4.29Å; K138-Y174 HydrophobicContact CG-CE1 4.15Å
139Q89Confident87Confident169 Ų16947.7 Ų47.779%0.7925%0.252SS*.Hα-helixtrans-78.1-14.4-179.2-164.8171.712.900112.9A135 Q136 I137 S141A135-Q139 PolarHBondContact O-N 2.81Å; Q136-Q139 PolarHBondContact O-N 3.07Å; Q136-Q139 VanDerWaalsContact O-N 3.14Å; I137-Q139 VanDerWaalsContact C-N 3.32Å; I137-Q139 PolarHBondContact O-N 2.82Å; Q139-S141 PolarHBondContact O-N 3.06Å
140Q82.1Confident86.9Confident38 Ų3847.8 Ų47.818%0.17825%0.252CS..  trans-62.5131.6177.3-62.8-174.9-12.800112D50 Y52 L101 Q136 I137 K138 T142 S144D50-Q140 PolarHBondContact OD2-NE2 2.82Å; D50-Q140 PolarHBondContact OD2-OE1 3.39Å; Y52-Q140 PolarHBondContact OH-NE2 2.73Å; L101-Q140 HydrophobicContact CD2-CG 4.43Å; Q136-Q140 WeakPolarHBondContact O-CG 3.46Å; Q136-Q140 PolarHBondContact O-N 2.95Å; I137-Q140 WeakPolarHBondContact O-CB 3.38Å; I137-Q140 PolarHBondContact O-N 2.88Å; K138-Q140 VanDerWaalsContact C-N 3.29Å; Q140-T142 PolarHBondContact OE1-O 3.38Å; Q140-S144 PolarHBondContact OE1-OG 3.15Å
141S69.6Low86.8Confident121 Ų12147.8 Ų47.885%0.84625%0.252SS*.SBendtrans-78.1-31.5172.354.90000112.5Q139Q139-S141 PolarHBondContact O-N 3.06Å
142T67.5Low86.6Confident77 Ų7743.9 Ų43.947%0.47224%0.235SC..SBendtrans-97.5126.1179.455.70000110Q140 S144Q140-T142 PolarHBondContact OE1-O 3.38Å; T142-S144 PolarHBondContact O-N 3.45Å; T142-S144 PolarHBondContact O-OG 3.06Å
143K65.1Low86Confident156 Ų15641.3 Ų41.368%0.67822%0.224SC*.  trans-76.4107.1174.1-66.6-179.9-179.6172.80109.8K305K143-K305 HydrophobicContact CD-CB 4.29Å; K143-K305 WeakPolarHBondContact CD-O 3.25Å
144S67.8Low85Confident29 Ų2942.2 Ų42.220%0.20323%0.233CC..  trans-121.3157.9177.228.90000111.2D50 R85 Q140 T142 S146D50-S144 VanDerWaalsContact OD2-CB 3.31Å; D50-S144 WeakPolarHBondContact OD2-CB 3.33Å; D50-S144 PolarHBondContact OD2-OG 2.77Å; R85-S144 PolarHBondContact NH2-OG 2.83Å; Q140-S144 PolarHBondContact OE1-OG 3.15Å; T142-S144 PolarHBondContact O-N 3.45Å; T142-S144 PolarHBondContact O-OG 3.06Å; S144-S146 PolarHBondContact O-N 3.5Å; S144-S146 VanDerWaalsContact O-N 3.16Å
145S77Confident84.6Confident29 Ų2948.5 Ų48.520%0.20326%0.26CS..EExtended strand (participates in β ladder)trans-67112.5175.3-172.30000109.4D50D50-S145 PolarHBondContact N-O 2.82Å
146S85.9Confident84.3Confident1 Ų146.6 Ų46.61%0.00724%0.243CC..EExtended strand (participates in β ladder)trans-103132.7-176.2-67.70000111S144 A176 R177S144-S146 PolarHBondContact O-N 3.5Å; S144-S146 VanDerWaalsContact O-N 3.16Å; S146-A176 CarbonylContact O-C 3.5Å; S146-A176 WeakPolarHBondContact O-CA 3.25Å; S146-R177 PolarHBondContact O-N 2.82Å
147I87.6Confident84.2Confident4 Ų451.5 Ų51.52%0.02127%0.266CS..EExtended strand (participates in β ladder)trans-124.7121.1-178.7-60.1175.4000107.9Y49 D50 L51 Y52 Y179 S222Y49-I147 HydrophobicContact CD1-CD1 3.89Å; Y49-I147 HydrophobicContact CG-CD1 4.29Å; D50-I147 PolarHBondContact O-N 2.91Å; L51-I147 HydrophobicContact CD1-CB 4.07Å; L51-I147 HydrophobicContact CD1-CG2 3.83Å; Y52-I147 PolarHBondContact N-O 3.3Å; I147-Y179 HydrophobicContact CG2-CD2 3.6Å; I147-Y179 HydrophobicContact CG2-CE2 3.78Å; I147-S222 WeakPolarHBondContact CD1-O 3.23Å
148I93.4Very high84.3Confident0 Ų056.9 Ų56.90%030%0.299CS..EExtended strand (participates in β ladder)trans-99.1120.3172.1-60.3177.5000107.7Y52 V54 I130 A133 I137 A171 A176 R177 V178 Y179Y52-I148 WeakPolarHBondContact O-CA 2.92Å; V54-I148 HydrophobicContact CB-CG2 4.46Å; V54-I148 HydrophobicContact CG2-CG2 3.73Å; I130-I148 HydrophobicContact CG2-CD1 4.47Å; A133-I148 HydrophobicContact CB-CD1 4.09Å; A133-I148 HydrophobicContact CB-CG1 4.34Å; I137-I148 HydrophobicContact CD1-CD1 4.02Å; I137-I148 HydrophobicContact CD1-CG1 4.19Å; I148-A171 HydrophobicContact CD1-CB 3.69Å; I148-A176 HydrophobicContact CD1-CB 4.08Å; I148-A176 HydrophobicContact CG1-CB 4.34Å; I148-R177 PolarHBondContact N-O 3.2Å; I148-V178 HydrophobicContact CB-CG2 4.48Å; I148-Y179 PolarHBondContact O-N 2.83Å
149L94.2Very high84.5Confident2 Ų257.8 Ų57.81%0.0130%0.3CS..EExtended strand (participates in β ladder)trans-110.198.2174.5-17565.6000108.7L51 Y52 F53 V54 F71 L75 V181 I218L51-L149 HydrophobicContact CD1-CB 4.22Å; Y52-L149 PolarHBondContact O-N 3.11Å; F53-L149 HydrophobicContact CD1-CD2 4.03Å; F53-L149 HydrophobicContact CE1-CD2 3.84Å; V54-L149 PolarHBondContact N-O 3.24Å; F71-L149 HydrophobicContact CE1-CD2 4.1Å; F71-L149 HydrophobicContact CZ-CD2 4.11Å; L75-L149 HydrophobicContact CD1-CD2 4.17Å; L75-L149 HydrophobicContact CD2-CD2 4.33Å; L149-V181 HydrophobicContact CD1-CG2 3.65Å; L149-V181 HydrophobicContact CG-CG2 4.33Å; L149-I218 HydrophobicContact CD1-CD1 4.3Å; L149-I218 HydrophobicContact CD2-CD1 4.4Å
150A95.5Very high84.7Confident1 Ų150.3 Ų50.31%0.00827%0.265CS..EExtended strand (participates in β ladder)trans-88.1132177.400000110.5V54 M126 Y179 C180 V181V54-A150 HydrophobicContact CB-CB 4.31Å; V54-A150 CarbonylContact O-C 3.56Å; V54-A150 VanDerWaalsContact O-CA 3.28Å; V54-A150 WeakPolarHBondContact O-CA 2.96Å; M126-A150 HydrophobicContact SD-CB 4.19Å; A150-Y179 PolarHBondContact N-O 3.05Å; A150-C180 CarbonylContact O-C 3.55Å; A150-C180 WeakPolarHBondContact O-CA 3.5Å; A150-V181 PolarHBondContact O-N 2.78Å
151L94.3Very high85.4Confident1 Ų149.7 Ų49.71%0.00526%0.262CS..EExtended strand (participates in β ladder)trans-120.9128.1175.3-170.9155.3000109.2V54 L55 D56 I68 F71 V181 V183 F208 L211V54-L151 PolarHBondContact O-N 2.97Å; L55-L151 HydrophobicContact CD2-CB 4.18Å; D56-L151 WeakPolarHBondContact CB-O 3.2Å; D56-L151 PolarHBondContact N-O 3.37Å; I68-L151 HydrophobicContact CD1-CD2 3.79Å; I68-L151 HydrophobicContact CG1-CD2 3.81Å; I68-L151 HydrophobicContact CG2-CD1 4.34Å; I68-L151 HydrophobicContact CG2-CD2 4.24Å; F71-L151 HydrophobicContact CD1-CD1 3.73Å; F71-L151 HydrophobicContact CE1-CD1 3.91Å; L151-V181 WeakPolarHBondContact CA-O 2.97Å; L151-V181 HydrophobicContact CB-CB 4.39Å; L151-V181 HydrophobicContact CD1-CB 4.43Å; L151-V181 HydrophobicContact CD1-CG1 4.29Å; L151-V181 HydrophobicContact CG-CB 4.2Å; L151-V181 HydrophobicContact CG-CG1 4.36Å; L151-V183 HydrophobicContact CD2-CG2 4.44Å; L151-F208 HydrophobicContact CD2-CE1 4.27Å; L151-L211 HydrophobicContact CD1-CD1 4.29Å; L151-L211 HydrophobicContact CD1-CD2 4.23Å
152T91.9Very high86.6Confident2 Ų249.2 Ų49.21%0.01225%0.246CC..EExtended strand (participates in β ladder)trans-147.1154.8176.2-174.50000110.7D56 M126 V181 G182 V183 L191D56-T152 PolarHBondContact OD2-OG1 2.56Å; M126-T152 HydrophobicContact SD-CG2 4.22Å; T152-V181 PolarHBondContact N-O 3.48Å; T152-V181 VanDerWaalsContact N-O 3.1Å; T152-G182 WeakPolarHBondContact O-CA 3.14Å; T152-V183 PolarHBondContact O-N 3.28Å; T152-L191 HydrophobicContact CG2-CD2 3.87Å
153D84.3Confident88Confident11 Ų1147.2 Ų47.26%0.05923%0.233CC..SBendtrans-110.12.5-175.377.4-25.6000114.5S60 V61 V183 F208S60-D153 WeakPolarHBondContact CB-OD1 3.47Å; S60-D153 WeakPolarHBondContact CB-OD2 3.38Å; S60-D153 PolarHBondContact OG-OD1 2.88Å; S60-D153 PolarHBondContact OG-OD2 3.37Å; V61-D153 HydrophobicContact CG1-CB 3.72Å; V61-D153 WeakPolarHBondContact CG1-OD1 3.38Å; V61-D153 WeakPolarHBondContact CG1-OD2 3.34Å; V61-D153 PolarHBondContact N-OD2 3.2Å; D153-V183 CarbonylContact C-O 3.44Å; D153-V183 VanDerWaalsContact C-O 3.27Å; D153-V183 VanDerWaalsContact CA-O 3.23Å; D153-V183 WeakPolarHBondContact CA-O 3.34Å; D153-F208 HydrophobicContact CB-CE2 4.26Å; D153-F208 HydrophobicContact CB-CZ 3.69Å
154G76.6Confident89.5Confident19 Ų1939.8 Ų39.820%0.19620%0.2CC..SBendtrans-145174.5-168.600000114.1
155K84.9Confident90.8Very high137 Ų13742 Ų4260%0.59621%0.206SC*.PPolyproline II helixtrans-80.5136.9173.1-53.7-167.2178.6-173.60109.6D185 D187K155-D185 VanDerWaalsContact CG-O 3.25Å; K155-D185 WeakPolarHBondContact CG-O 3.22Å; K155-D187 HydrophobicContact CD-CB 4.16Å; K155-D187 HydrophobicContact CG-CB 4.05Å
156L89.6Confident91.7Very high8 Ų845.4 Ų45.44%0.04222%0.219CC..PPolyproline II helixtrans-78.9140.9173.4-63.6146.5000108.6T124 M126 I160 H161 Q190 I194T124-L156 HydrophobicContact CG2-CD2 4.39Å; M126-L156 HydrophobicContact CB-CD2 3.8Å; M126-L156 HydrophobicContact CE-CD1 3.54Å; M126-L156 HydrophobicContact CE-CD2 4.25Å; M126-L156 HydrophobicContact CE-CG 4.48Å; L156-I160 HydrophobicContact CD2-CG2 3.82Å; L156-H161 HydrophobicContact CB-CB 4.11Å; L156-Q190 PolarHBondContact O-NE2 3.38Å; L156-Q190 PolarHBondContact O-OE1 3.31Å; L156-I194 HydrophobicContact CD1-CD1 3.4Å
157E91.3Very high92.2Very high131 Ų13147.1 Ų47.161%0.61223%0.227SC*.PPolyproline II helixtrans-59.7151.1167.6-66.5-175.4-175.300110.5Y159 I160 H161E157-Y159 VanDerWaalsContact C-N 3.3Å; E157-Y159 PolarHBondContact O-N 3.36Å; E157-I160 HydrophobicContact CB-CB 4.33Å; E157-I160 HydrophobicContact CB-CG1 4.02Å; E157-I160 CarbonylContact O-C 3.43Å; E157-I160 PolarHBondContact O-N 2.86Å; E157-H161 WeakPolarHBondContact O-CB 3.47Å; E157-H161 PolarHBondContact O-N 3.3Å
158V92Very high92.5Very high125 Ų12547 Ų4776%0.75823%0.226SC*.Hα-helixtrans-53.6-45-173.1179.80000112.5E162V158-E162 PolarHBondContact O-N 3.29Å
159Y94.1Very high92.5Very high153 Ų15350 Ų5060%0.624%0.242SC*.Hα-helixtrans-68.7-40.1179.1-179-110000112.4E157 H161 E162 L163E157-Y159 VanDerWaalsContact C-N 3.3Å; E157-Y159 PolarHBondContact O-N 3.36Å; Y159-H161 VanDerWaalsContact C-N 3.35Å; Y159-E162 PolarHBondContact O-N 3.07Å; Y159-L163 HydrophobicContact CD1-CD1 3.94Å; Y159-L163 HydrophobicContact CE1-CD1 3.39Å; Y159-L163 HydrophobicContact CE1-CG 4.18Å; Y159-L163 HydrophobicContact CE2-CD1 4.47Å; Y159-L163 HydrophobicContact CE2-CG 4.44Å; Y159-L163 WeakPolarHBondContact O-CG 3.34Å; Y159-L163 PolarHBondContact O-N 3.11Å; Y159-L163 VanDerWaalsContact O-N 3.11Å
160I95Very high92.3Very high11 Ų1153 Ų536%0.05626%0.257CS..Hα-helixtrans-67.8-38.3178.6-56.8-57.5000110.7Y125 L156 E157 L163 T164Y125-I160 HydrophobicContact CD1-CD1 3.51Å; Y125-I160 HydrophobicContact CD1-CG1 4.11Å; Y125-I160 HydrophobicContact CE1-CD1 3.58Å; Y125-I160 HydrophobicContact CE1-CG1 4.22Å; Y125-I160 HydrophobicContact CG-CD1 4.43Å; L156-I160 HydrophobicContact CD2-CG2 3.82Å; E157-I160 HydrophobicContact CB-CB 4.33Å; E157-I160 HydrophobicContact CB-CG1 4.02Å; E157-I160 CarbonylContact O-C 3.43Å; E157-I160 PolarHBondContact O-N 2.86Å; I160-L163 PolarHBondContact O-N 2.97Å; I160-T164 VanDerWaalsContact O-CB 3.28Å; I160-T164 WeakPolarHBondContact O-CB 3.18Å; I160-T164 PolarHBondContact O-N 2.88Å; I160-T164 PolarHBondContact O-OG1 2.96Å
161H95.3Very high92.1Very high26 Ų2653 Ų5312%0.1226%0.256CS..Hα-helixtrans-57.8-49.6173.8-179.451.6000111.4L156 E157 Y159 L163 T164 K165 Q190 D193L156-H161 HydrophobicContact CB-CB 4.11Å; E157-H161 WeakPolarHBondContact O-CB 3.47Å; E157-H161 PolarHBondContact O-N 3.3Å; Y159-H161 VanDerWaalsContact C-N 3.35Å; H161-L163 PolarHBondContact O-N 3.46Å; H161-T164 PolarHBondContact O-N 3.46Å; H161-K165 PolarHBondContact O-N 2.96Å; H161-Q190 VanDerWaalsContact CE1-CA 3.44Å; H161-Q190 WeakPolarHBondContact CE1-CA 3.4Å; H161-Q190 PolarHBondContact CE1-O 3.46Å; H161-D193 IonicContact CE1-OD2 3.31Å; H161-D193 IonicContact NE2-OD2 3.17Å; H161-D193 PolarHBondContact NE2-OD2 2.87Å
162E95.9Very high91.8Very high110 Ų11055.4 Ų55.451%0.51427%0.265SS..Hα-helixtrans-61.5-46.1179.4-172.4175.7-176.200112.3V158 Y159 T164 K165 Q166V158-E162 PolarHBondContact O-N 3.29Å; Y159-E162 PolarHBondContact O-N 3.07Å; E162-T164 VanDerWaalsContact C-N 3.31Å; E162-T164 PolarHBondContact O-N 3.32Å; E162-K165 PolarHBondContact O-N 3.36Å; E162-Q166 WeakPolarHBondContact O-CG 3.43Å; E162-Q166 PolarHBondContact O-N 2.66Å; E162-Q166 VanDerWaalsContact O-N 3.09Å
163L96.8Very high91.5Very high35 Ų3562.5 Ų62.518%0.18330%0.296CS..Hα-helixtrans-61.1-41.4175.1-70.9178.6000112.1H127 Y159 I160 H161 K165 Q166 Q167H127-L163 HydrophobicContact CB-CB 3.93Å; Y159-L163 HydrophobicContact CD1-CD1 3.94Å; Y159-L163 HydrophobicContact CE1-CD1 3.39Å; Y159-L163 HydrophobicContact CE1-CG 4.18Å; Y159-L163 HydrophobicContact CE2-CD1 4.47Å; Y159-L163 HydrophobicContact CE2-CG 4.44Å; Y159-L163 WeakPolarHBondContact O-CG 3.34Å; Y159-L163 PolarHBondContact O-N 3.11Å; Y159-L163 VanDerWaalsContact O-N 3.11Å; I160-L163 PolarHBondContact O-N 2.97Å; H161-L163 PolarHBondContact O-N 3.46Å; L163-K165 VanDerWaalsContact C-N 3.33Å; L163-K165 PolarHBondContact O-N 3.22Å; L163-Q166 PolarHBondContact O-N 3.27Å; L163-Q167 WeakPolarHBondContact O-CG 3.48Å; L163-Q167 PolarHBondContact O-N 3.12Å
164T96.3Very high91.4Very high0 Ų066.2 Ų66.20%031%0.31CS..Hα-helixtrans-65.5-40.3-179.2-56.10000110.9M126 H127 I130 I160 H161 E162 Q167 A168 I194M126-T164 HydrophobicContact CB-CG2 4.19Å; M126-T164 HydrophobicContact CE-CG2 3.53Å; M126-T164 HydrophobicContact CG-CG2 4.07Å; H127-T164 PolarHBondContact N-OG1 3.12Å; I130-T164 HydrophobicContact CD1-CG2 3.57Å; I160-T164 VanDerWaalsContact O-CB 3.28Å; I160-T164 WeakPolarHBondContact O-CB 3.18Å; I160-T164 PolarHBondContact O-N 2.88Å; I160-T164 PolarHBondContact O-OG1 2.96Å; H161-T164 PolarHBondContact O-N 3.46Å; E162-T164 VanDerWaalsContact C-N 3.31Å; E162-T164 PolarHBondContact O-N 3.32Å; T164-Q167 PolarHBondContact O-N 2.66Å; T164-A168 WeakPolarHBondContact O-CB 3.49Å; T164-A168 PolarHBondContact O-N 3.36Å; T164-I194 HydrophobicContact CG2-CD1 3.75Å; T164-I194 HydrophobicContact CG2-CG1 4.01Å; T164-I194 HydrophobicContact CG2-CG2 3.92Å
165K95.3Very high91.5Very high76 Ų7666.4 Ų66.433%0.3331%0.312SS..Hα-helixtrans-59.2-46.2173.1-176.4176.7-179.1170.70111.6H161 E162 L163 Q167 A168 D169H161-K165 PolarHBondContact O-N 2.96Å; E162-K165 PolarHBondContact O-N 3.36Å; L163-K165 VanDerWaalsContact C-N 3.33Å; L163-K165 PolarHBondContact O-N 3.22Å; K165-Q167 PolarHBondContact O-N 2.66Å; K165-A168 PolarHBondContact O-N 3.37Å; K165-D169 PolarHBondContact O-N 2.89Å
166Q95.6Very high91.5Very high100 Ų10060.1 Ų60.147%0.46729%0.285SS..Hα-helixtrans-61.3-42.4177.2-68.6176.58.500112.4E162 L163 D169 E170E162-Q166 WeakPolarHBondContact O-CG 3.43Å; E162-Q166 PolarHBondContact O-N 2.66Å; E162-Q166 VanDerWaalsContact O-N 3.09Å; L163-Q166 PolarHBondContact O-N 3.27Å; Q166-D169 PolarHBondContact O-N 2.96Å; Q166-E170 PolarHBondContact O-N 3.42Å
167Q96.2Very high91.4Very high38 Ų3860.1 Ų60.118%0.17829%0.285CS..Hα-helixtrans-67.8-37.5177-68.2-56.3-56.500112.1H127 I130 K131 L163 T164 K165 E170 A171H127-Q167 HydrophobicContact CB-CG 4.07Å; I130-Q167 HydrophobicContact CB-CB 4.2Å; I130-Q167 HydrophobicContact CG2-CB 3.95Å; K131-Q167 HydrophobicContact CB-CG 4.45Å; L163-Q167 WeakPolarHBondContact O-CG 3.48Å; L163-Q167 PolarHBondContact O-N 3.12Å; T164-Q167 PolarHBondContact O-N 2.66Å; K165-Q167 PolarHBondContact O-N 2.66Å; Q167-E170 PolarHBondContact O-N 2.99Å; Q167-A171 PolarHBondContact O-N 3.3Å
168A94.8Very high91.3Very high0 Ų053.9 Ų53.90%026%0.256CS..Hα-helixtrans-64.7-41173.500000111.7I130 T164 K165 E170 A171 R172 V178 I194I130-A168 HydrophobicContact CD1-CB 4.33Å; T164-A168 WeakPolarHBondContact O-CB 3.49Å; T164-A168 PolarHBondContact O-N 3.36Å; K165-A168 PolarHBondContact O-N 3.37Å; A168-E170 VanDerWaalsContact C-N 3.31Å; A168-E170 PolarHBondContact O-N 3.3Å; A168-A171 WeakPolarHBondContact O-CB 3.34Å; A168-A171 PolarHBondContact O-N 2.98Å; A168-R172 WeakPolarHBondContact O-CG 3.47Å; A168-R172 PolarHBondContact O-N 2.88Å; A168-V178 HydrophobicContact CB-CG2 4.32Å; A168-I194 HydrophobicContact CB-CG2 4.13Å; A168-I194 WeakPolarHBondContact CB-O 3.23Å
169D92.2Very high91.3Very high64 Ų6447.9 Ų47.934%0.34222%0.219SC..Hα-helixtrans-62.7-37.3173.5-78-32.7000112.5K165 Q166 R172 K173K165-D169 PolarHBondContact O-N 2.89Å; Q166-D169 PolarHBondContact O-N 2.96Å; D169-R172 PolarHBondContact O-N 3.2Å; D169-R172 IonicContact OD1-CZ 3.54Å; D169-R172 IonicContact OD1-NE 2.66Å; D169-R172 PolarHBondContact OD1-NE 2.85Å; D169-R172 IonicContact OD1-NH2 3.21Å; D169-R172 PolarHBondContact OD1-NH2 3.34Å; D169-K173 WeakPolarHBondContact O-CG 3.3Å; D169-K173 PolarHBondContact O-N 2.71Å
170E91.8Very high91.3Very high66 Ų6640.7 Ų40.731%0.30819%0.191SC..Hα-helixtrans-64.1-46.2173-179.6164.2-167.800111.6Q166 Q167 A168 R172 K173 Y174Q166-E170 PolarHBondContact O-N 3.42Å; Q167-E170 PolarHBondContact O-N 2.99Å; A168-E170 VanDerWaalsContact C-N 3.31Å; A168-E170 PolarHBondContact O-N 3.3Å; E170-R172 VanDerWaalsContact C-N 3.28Å; E170-R172 PolarHBondContact O-N 2.85Å; E170-K173 WeakPolarHBondContact O-CB 3.49Å; E170-K173 PolarHBondContact O-N 3.45Å; E170-K173 VanDerWaalsContact O-N 3.12Å; E170-Y174 HydrophobicContact CG-CD2 4.4Å; E170-Y174 HydrophobicContact CG-CE2 3.71Å; E170-Y174 WeakPolarHBondContact O-CD2 3.21Å
171A91.2Very high91.2Very high0 Ų040.1 Ų40.10%019%0.189CC..Hα-helixtrans-56.4-43.4175.100000111.8I130 S134 I148 Q167 A168 K173 Y174 G175 A176I130-A171 HydrophobicContact CG2-CB 4.43Å; S134-A171 VanDerWaalsContact OG-CB 3.25Å; S134-A171 WeakPolarHBondContact OG-CB 3.5Å; I148-A171 HydrophobicContact CD1-CB 3.69Å; Q167-A171 PolarHBondContact O-N 3.3Å; A168-A171 WeakPolarHBondContact O-CB 3.34Å; A168-A171 PolarHBondContact O-N 2.98Å; A171-K173 VanDerWaalsContact C-N 3.31Å; A171-K173 PolarHBondContact O-N 2.85Å; A171-Y174 PolarHBondContact O-N 3.38Å; A171-G175 PolarHBondContact O-N 2.89Å; A171-A176 HydrophobicContact CB-CB 3.92Å; A171-A176 VanDerWaalsContact O-CB 3.26Å; A171-A176 WeakPolarHBondContact O-CB 3.44Å; A171-A176 PolarHBondContact O-N 3.43Å
172R87.1Confident91Very high51 Ų5138.9 Ų38.919%0.19218%0.183CC..Hα-helixtrans-59.4-36.5177.3-77.1-176-84-90.26113A168 D169 E170 Y174 G175 I194 D196A168-R172 WeakPolarHBondContact O-CG 3.47Å; A168-R172 PolarHBondContact O-N 2.88Å; D169-R172 PolarHBondContact O-N 3.2Å; D169-R172 IonicContact OD1-CZ 3.54Å; D169-R172 IonicContact OD1-NE 2.66Å; D169-R172 PolarHBondContact OD1-NE 2.85Å; D169-R172 IonicContact OD1-NH2 3.21Å; D169-R172 PolarHBondContact OD1-NH2 3.34Å; E170-R172 VanDerWaalsContact C-N 3.28Å; E170-R172 PolarHBondContact O-N 2.85Å; R172-Y174 PolarHBondContact O-N 3.5Å; R172-G175 WeakPolarHBondContact O-CA 3.23Å; R172-G175 PolarHBondContact O-N 3.25Å; R172-I194 PolarHBondContact NH1-O 2.89Å; R172-D196 IonicContact NH1-OD1 2.76Å
173K85.1Confident90.6Very high152 Ų15233.7 Ų33.766%0.66116%0.158SC*.Hα-helixtrans-60.5-30.1176.1-69.5170.5-173.9170.70112.6D169 E170 A171 G175 K305D169-K173 WeakPolarHBondContact O-CG 3.3Å; D169-K173 PolarHBondContact O-N 2.71Å; E170-K173 WeakPolarHBondContact O-CB 3.49Å; E170-K173 PolarHBondContact O-N 3.45Å; E170-K173 VanDerWaalsContact O-N 3.12Å; A171-K173 VanDerWaalsContact C-N 3.31Å; A171-K173 PolarHBondContact O-N 2.85Å; K173-G175 VanDerWaalsContact C-N 3.29Å; K173-K305 PolarHBondContact O-NZ 3.29Å; K173-K305 VanDerWaalsContact O-NZ 3.16Å
174Y83.6Confident90Very high88 Ų8835.8 Ų35.835%0.34517%0.17SC..THydrogen-bonded Turntrans-86.53.2175.5-57.3-68.5000113.4K138 E170 A171 R172K138-Y174 HydrophobicContact CD-CE1 4.29Å; K138-Y174 HydrophobicContact CG-CE1 4.15Å; E170-Y174 HydrophobicContact CG-CD2 4.4Å; E170-Y174 HydrophobicContact CG-CE2 3.71Å; E170-Y174 WeakPolarHBondContact O-CD2 3.21Å; A171-Y174 PolarHBondContact O-N 3.38Å; R172-Y174 PolarHBondContact O-N 3.5Å
175G77.6Confident89.3Confident24 Ų2442.1 Ų42.125%0.24720%0.203CC..THydrogen-bonded Turntrans87.716.4177.200000114.1A171 R172 K173A171-G175 PolarHBondContact O-N 2.89Å; R172-G175 WeakPolarHBondContact O-CA 3.23Å; R172-G175 PolarHBondContact O-N 3.25Å; K173-G175 VanDerWaalsContact C-N 3.29Å
176A86Confident88.9Confident4 Ų439.5 Ų39.53%0.03319%0.192CC..EExtended strand (participates in β ladder)trans-76.2142.4173.400000111.3I137 S146 I148 A171I137-A176 HydrophobicContact CD1-CB 3.7Å; S146-A176 CarbonylContact O-C 3.5Å; S146-A176 WeakPolarHBondContact O-CA 3.25Å; I148-A176 HydrophobicContact CD1-CB 4.08Å; I148-A176 HydrophobicContact CG1-CB 4.34Å; A171-A176 HydrophobicContact CB-CB 3.92Å; A171-A176 VanDerWaalsContact O-CB 3.26Å; A171-A176 WeakPolarHBondContact O-CB 3.44Å; A171-A176 PolarHBondContact O-N 3.43Å
177R85.7Confident88.7Confident8 Ų836.8 Ų36.83%0.0318%0.181CC..EExtended strand (participates in β ladder)trans-102.7128.6169.5-65168.373.4-153.310109.2S146 I148 Y179 D196 R221 S222 G248 I251S146-R177 PolarHBondContact O-N 2.82Å; I148-R177 PolarHBondContact N-O 3.2Å; R177-Y179 HydrophobicContact CB-CE2 4.02Å; R177-Y179 PolarHBondContact NH1-OH 3.15Å; R177-Y179 PolarHBondContact NH2-OH 2.91Å; R177-D196 WeakPolarHBondContact CA-OD2 3.41Å; R177-R221 PolarHBondContact NH2-O 3.29Å; R177-S222 PolarHBondContact NH1-O 3.48Å; R177-G248 PolarHBondContact NH2-O 2.92Å; R177-G248 VanDerWaalsContact NH2-O 3.09Å; R177-I251 HydrophobicContact CG-CG2 4.48Å
178V91.1Very high88.4Confident0 Ų038.3 Ų38.30%019%0.188CC..EExtended strand (participates in β ladder)trans-104.3122.2-176.2-172.60000110.8I148 A168 I194 A195 D196I148-V178 HydrophobicContact CB-CG2 4.48Å; A168-V178 HydrophobicContact CB-CG2 4.32Å; V178-I194 HydrophobicContact CG1-CG2 4.35Å; V178-A195 WeakPolarHBondContact O-CA 3.21Å; V178-D196 PolarHBondContact N-OD1 3.41Å; V178-D196 VanDerWaalsContact N-OD1 3.11Å; V178-D196 PolarHBondContact O-N 2.79Å
179Y91.3Very high88.2Confident0 Ų045.5 Ų45.50%022%0.221CC..EExtended strand (participates in β ladder)trans-114.5141.2173.4-68.1-90.4000110.3I147 I148 A150 R177 N200 F202 R221 S222I147-Y179 HydrophobicContact CG2-CD2 3.6Å; I147-Y179 HydrophobicContact CG2-CE2 3.78Å; I148-Y179 PolarHBondContact O-N 2.83Å; A150-Y179 PolarHBondContact N-O 3.05Å; R177-Y179 HydrophobicContact CB-CE2 4.02Å; R177-Y179 PolarHBondContact NH1-OH 3.15Å; R177-Y179 PolarHBondContact NH2-OH 2.91Å; Y179-N200 WeakPolarHBondContact CA-O 3.35Å; Y179-N200 HydrophobicContact CD1-CB 3.57Å; Y179-N200 HydrophobicContact CE1-CB 3.77Å; Y179-N200 VanDerWaalsContact CE1-CG 3.45Å; Y179-N200 WeakPolarHBondContact CE1-OD1 3.4Å; Y179-N200 HydrophobicContact CG-CB 4.35Å; Y179-F202 AromaticContact CD1-CE2 3.61Å; Y179-F202 HydrophobicContact CD1-CE2 3.61Å; Y179-F202 HydrophobicContact CD1-CZ 4.24Å; Y179-F202 HydrophobicContact CE1-CE2 4.31Å; Y179-F202 HydrophobicContact CG-CE2 4.42Å; Y179-R221 HydrophobicContact CE1-CB 4.31Å; Y179-R221 PolarHBondContact OH-O 3.21Å; Y179-S222 WeakPolarHBondContact OH-CA 3.48Å
180C93.3Very high88.2Confident1 Ų143.9 Ų43.91%0.00721%0.212CC..EExtended strand (participates in β ladder)trans-121.3130179.7-66.20000110.1A150 L191 A195 N200 V201 F202A150-C180 CarbonylContact O-C 3.55Å; A150-C180 WeakPolarHBondContact O-CA 3.5Å; C180-L191 HydrophobicContact CB-CB 3.96Å; C180-L191 HydrophobicContact CB-CD1 4.21Å; C180-L191 HydrophobicContact CB-CD2 4.14Å; C180-L191 HydrophobicContact CB-CG 4.33Å; C180-A195 HydrophobicContact CB-CB 4.29Å; C180-N200 PolarHBondContact N-O 2.87Å; C180-V201 CarbonylContact O-C 3.6Å; C180-V201 WeakPolarHBondContact O-CA 3.39Å; C180-F202 PolarHBondContact O-N 2.82Å
181V92.8Very high88.3Confident0 Ų040.9 Ų40.90%020%0.198CC..EExtended strand (participates in β ladder)trans-110107.7171.8-175.10000107.2F71 L149 A150 L151 T152 V183 F202 V204 L211 I218F71-V181 HydrophobicContact CZ-CG2 4.46Å; L149-V181 HydrophobicContact CD1-CG2 3.65Å; L149-V181 HydrophobicContact CG-CG2 4.33Å; A150-V181 PolarHBondContact O-N 2.78Å; L151-V181 WeakPolarHBondContact CA-O 2.97Å; L151-V181 HydrophobicContact CB-CB 4.39Å; L151-V181 HydrophobicContact CD1-CB 4.43Å; L151-V181 HydrophobicContact CD1-CG1 4.29Å; L151-V181 HydrophobicContact CG-CB 4.2Å; L151-V181 HydrophobicContact CG-CG1 4.36Å; T152-V181 PolarHBondContact N-O 3.48Å; T152-V181 VanDerWaalsContact N-O 3.1Å; V181-V183 HydrophobicContact CG1-CG2 4.42Å; V181-F202 HydrophobicContact CG2-CB 4.38Å; V181-F202 HydrophobicContact CG2-CD2 4.34Å; V181-V204 HydrophobicContact CG1-CG2 3.73Å; V181-L211 HydrophobicContact CG1-CD2 3.54Å; V181-I218 HydrophobicContact CG2-CD1 4.05Å
182G90.9Very high88.4Confident0 Ų041.8 Ų41.80%021%0.205CC..EExtended strand (participates in β ladder)trans-98.2125.3178.600000110.1T152 F186 F202 V204T152-G182 WeakPolarHBondContact O-CA 3.14Å; G182-F186 WeakPolarHBondContact O-CD1 3.41Å; G182-F186 VanDerWaalsContact O-CE1 3.27Å; G182-F186 WeakPolarHBondContact O-CE1 3.18Å; G182-F202 PolarHBondContact N-O 2.92Å; G182-V204 WeakPolarHBondContact O-CG2 3.4Å; G182-V204 PolarHBondContact O-N 2.81Å
183V87.3Confident88.6Confident0 Ų042.3 Ų42.30%021%0.212CC..EExtended strand (participates in β ladder)trans-114.3147.1178.1-1620000109.7L151 T152 D153 V181 D185 V204 F208 L211L151-V183 HydrophobicContact CD2-CG2 4.44Å; T152-V183 PolarHBondContact O-N 3.28Å; D153-V183 CarbonylContact C-O 3.44Å; D153-V183 VanDerWaalsContact C-O 3.27Å; D153-V183 VanDerWaalsContact CA-O 3.23Å; D153-V183 WeakPolarHBondContact CA-O 3.34Å; V181-V183 HydrophobicContact CG1-CG2 4.42Å; V183-D185 PolarHBondContact O-N 3.27Å; V183-V204 HydrophobicContact CB-CB 4.47Å; V183-V204 HydrophobicContact CG1-CB 4.19Å; V183-V204 HydrophobicContact CG1-CG1 4.48Å; V183-V204 HydrophobicContact CG2-CB 4.23Å; V183-V204 HydrophobicContact CG2-CG2 4.2Å; V183-F208 HydrophobicContact CB-CD1 4.35Å; V183-F208 HydrophobicContact CB-CD2 4.38Å; V183-F208 HydrophobicContact CB-CE1 4Å; V183-F208 HydrophobicContact CB-CE2 4.07Å; V183-F208 HydrophobicContact CB-CZ 3.87Å; V183-F208 HydrophobicContact CG1-CB 4.33Å; V183-F208 HydrophobicContact CG1-CD1 3.91Å; V183-F208 HydrophobicContact CG1-CD2 3.48Å; V183-F208 VanDerWaalsContact CG1-CD2 3.48Å; V183-F208 HydrophobicContact CG1-CE1 4Å; V183-F208 HydrophobicContact CG1-CE2 3.62Å; V183-F208 HydrophobicContact CG1-CG 3.63Å; V183-F208 HydrophobicContact CG1-CZ 3.89Å; V183-F208 HydrophobicContact CG2-CD1 4.15Å; V183-F208 HydrophobicContact CG2-CE1 3.91Å; V183-F208 HydrophobicContact CG2-CZ 4.3Å; V183-L211 HydrophobicContact CG2-CD1 4.48Å; V183-L211 HydrophobicContact CG2-CD2 4.15Å
184L84.3Confident89Confident80 Ų8035 Ų3542%0.41918%0.18SC..SBendtrans56.8-116.5179.9-57.6177.7000113.2F186 V204 F208L184-F186 VanDerWaalsContact C-N 3.34Å; L184-F186 WeakPolarHBondContact O-CD1 3.41Å; L184-F186 PolarHBondContact O-N 2.76Å; L184-V204 PolarHBondContact N-O 3.35Å; L184-F208 HydrophobicContact CD1-CD2 4.4Å; L184-F208 HydrophobicContact CD1-CE2 3.85Å; L184-F208 HydrophobicContact CG-CD2 4.46Å; L184-F208 HydrophobicContact CG-CE2 4.12Å
185D81.6Confident89.3Confident133 Ų13330.9 Ų30.971%0.71116%0.164SC*.SBendtrans-96.237.5-165.9-68.9-31000112.9K155 V183K155-D185 VanDerWaalsContact CG-O 3.25Å; K155-D185 WeakPolarHBondContact CG-O 3.22Å; V183-D185 PolarHBondContact O-N 3.27Å
186F87.9Confident89.6Confident21 Ų2129.8 Ų29.89%0.09215%0.152CC..  trans-69.8156.9174.870.2-83.5000112.3G182 L184 E188 L191 P203G182-F186 WeakPolarHBondContact O-CD1 3.41Å; G182-F186 VanDerWaalsContact O-CE1 3.27Å; G182-F186 WeakPolarHBondContact O-CE1 3.18Å; L184-F186 VanDerWaalsContact C-N 3.34Å; L184-F186 WeakPolarHBondContact O-CD1 3.41Å; L184-F186 PolarHBondContact O-N 2.76Å; F186-E188 HydrophobicContact CE2-CB 4.01Å; F186-E188 HydrophobicContact CE2-CG 4.43Å; F186-L191 HydrophobicContact CB-CD1 4.01Å; F186-L191 HydrophobicContact CD2-CD1 3.58Å; F186-L191 HydrophobicContact CD2-CG 4.37Å; F186-L191 HydrophobicContact CE2-CD1 4.44Å; F186-L191 HydrophobicContact CG-CD1 4.02Å; F186-P203 HydrophobicContact CE1-CB 4.17Å; F186-P203 HydrophobicContact CE2-CB 3.99Å; F186-P203 HydrophobicContact CZ-CB 3.3Å
187D90.6Very high89.4Confident42 Ų4230.7 Ų30.723%0.22516%0.158CC..  trans-97.7112.3171.1-166.5-48.5000110.4K155 Q189 Q190 L191K155-D187 HydrophobicContact CD-CB 4.16Å; K155-D187 HydrophobicContact CG-CB 4.05Å; D187-Q189 PolarHBondContact O-N 2.78Å; D187-Q189 WeakPolarHBondContact OD1-CB 3.49Å; D187-Q189 PolarHBondContact OD1-N 3.38Å; D187-Q190 HydrophobicContact CB-CB 3.95Å; D187-Q190 HydrophobicContact CB-CG 3.76Å; D187-Q190 PolarHBondContact O-N 3.46Å; D187-Q190 PolarHBondContact OD1-N 3.24Å; D187-L191 WeakPolarHBondContact O-CG 3.06Å; D187-L191 PolarHBondContact O-N 3.46Å
188E90.3Very high89.4Confident70 Ų7036.8 Ų36.833%0.32719%0.185SC..Hα-helixtrans-61.6-32-178-166.4-179.1147.400112.3F186 A192 K198F186-E188 HydrophobicContact CE2-CB 4.01Å; F186-E188 HydrophobicContact CE2-CG 4.43Å; E188-A192 VanDerWaalsContact O-CB 3.23Å; E188-A192 WeakPolarHBondContact O-CB 3.49Å; E188-A192 PolarHBondContact O-N 3.48Å; E188-K198 WeakPolarHBondContact OE1-CE 3.41Å; E188-K198 IonicContact OE1-NZ 2.64Å; E188-K198 PolarHBondContact OE1-NZ 2.79Å
189Q90.8Very high88.9Confident152 Ų15240.7 Ų40.771%0.7121%0.206SC*.Hα-helixtrans-73.2-42.8178.2-63.4-175.2-9.400110.8D187 L191 A192 D193D187-Q189 PolarHBondContact O-N 2.78Å; D187-Q189 WeakPolarHBondContact OD1-CB 3.49Å; D187-Q189 PolarHBondContact OD1-N 3.38Å; Q189-L191 PolarHBondContact O-N 3.33Å; Q189-A192 PolarHBondContact O-N 3.33Å; Q189-D193 PolarHBondContact O-N 2.85Å
190Q93Very high88.7Confident30 Ų3040.8 Ų40.814%0.1421%0.207CC..Hα-helixtrans-60.3-46.6174.5-67.1-176-15.700111.2L156 H161 D187 A192 D193 I194L156-Q190 PolarHBondContact O-NE2 3.38Å; L156-Q190 PolarHBondContact O-OE1 3.31Å; H161-Q190 VanDerWaalsContact CE1-CA 3.44Å; H161-Q190 WeakPolarHBondContact CE1-CA 3.4Å; H161-Q190 PolarHBondContact CE1-O 3.46Å; D187-Q190 HydrophobicContact CB-CB 3.95Å; D187-Q190 HydrophobicContact CB-CG 3.76Å; D187-Q190 PolarHBondContact O-N 3.46Å; D187-Q190 PolarHBondContact OD1-N 3.24Å; Q190-A192 VanDerWaalsContact C-N 3.3Å; Q190-A192 PolarHBondContact O-N 2.74Å; Q190-D193 WeakPolarHBondContact O-CB 3.4Å; Q190-D193 PolarHBondContact O-N 3.18Å; Q190-I194 WeakPolarHBondContact O-CD1 3.28Å; Q190-I194 WeakPolarHBondContact O-CG1 3.43Å; Q190-I194 PolarHBondContact O-N 2.95Å
191L93.4Very high88.5Confident2 Ų241 Ų411%0.0121%0.208CC..Hα-helixtrans-66.3-32.7178.9-66.1-170.9000112.6M126 T152 C180 F186 D187 Q189 I194 A195 V201M126-L191 HydrophobicContact CE-CD2 4.47Å; T152-L191 HydrophobicContact CG2-CD2 3.87Å; C180-L191 HydrophobicContact CB-CB 3.96Å; C180-L191 HydrophobicContact CB-CD1 4.21Å; C180-L191 HydrophobicContact CB-CD2 4.14Å; C180-L191 HydrophobicContact CB-CG 4.33Å; F186-L191 HydrophobicContact CB-CD1 4.01Å; F186-L191 HydrophobicContact CD2-CD1 3.58Å; F186-L191 HydrophobicContact CD2-CG 4.37Å; F186-L191 HydrophobicContact CE2-CD1 4.44Å; F186-L191 HydrophobicContact CG-CD1 4.02Å; D187-L191 WeakPolarHBondContact O-CG 3.06Å; D187-L191 PolarHBondContact O-N 3.46Å; Q189-L191 PolarHBondContact O-N 3.33Å; L191-I194 PolarHBondContact O-N 3.39Å; L191-A195 WeakPolarHBondContact O-CB 3.49Å; L191-A195 PolarHBondContact O-N 3.27Å; L191-V201 HydrophobicContact CB-CG1 3.88Å; L191-V201 HydrophobicContact CB-CG2 4.08Å; L191-V201 HydrophobicContact CD1-CG1 4.2Å
192A92.1Very high88.3Confident19 Ų1941.5 Ų41.516%0.15721%0.21CC..Hα-helixtrans-70.5-30.8176.300000113.2E188 Q189 Q190 I194 V201E188-A192 VanDerWaalsContact O-CB 3.23Å; E188-A192 WeakPolarHBondContact O-CB 3.49Å; E188-A192 PolarHBondContact O-N 3.48Å; Q189-A192 PolarHBondContact O-N 3.33Å; Q190-A192 VanDerWaalsContact C-N 3.3Å; Q190-A192 PolarHBondContact O-N 2.74Å; A192-I194 VanDerWaalsContact C-N 3.33Å; A192-V201 HydrophobicContact CB-CG2 4.12Å
193D91.9Very high88.1Confident62 Ų6244.2 Ų44.233%0.33223%0.228SC..Hα-helixtrans-69.6-31.6173.2-81.8-17.1000112.6H161 Q189 Q190H161-D193 IonicContact CE1-OD2 3.31Å; H161-D193 IonicContact NE2-OD2 3.17Å; H161-D193 PolarHBondContact NE2-OD2 2.87Å; Q189-D193 PolarHBondContact O-N 2.85Å; Q190-D193 WeakPolarHBondContact O-CB 3.4Å; Q190-D193 PolarHBondContact O-N 3.18Å
194I93.2Very high88Confident0 Ų044.3 Ų44.30%023%0.228CC..Hα-helixtrans-84.4-46-180-65.5161.7000110.3M126 I130 L156 T164 A168 R172 V178 Q190 L191 A192M126-I194 HydrophobicContact CE-CD1 3.53Å; M126-I194 HydrophobicContact CE-CG2 4.18Å; I130-I194 HydrophobicContact CD1-CG2 4.04Å; L156-I194 HydrophobicContact CD1-CD1 3.4Å; T164-I194 HydrophobicContact CG2-CD1 3.75Å; T164-I194 HydrophobicContact CG2-CG1 4.01Å; T164-I194 HydrophobicContact CG2-CG2 3.92Å; A168-I194 HydrophobicContact CB-CG2 4.13Å; A168-I194 WeakPolarHBondContact CB-O 3.23Å; R172-I194 PolarHBondContact NH1-O 2.89Å; V178-I194 HydrophobicContact CG1-CG2 4.35Å; Q190-I194 WeakPolarHBondContact O-CD1 3.28Å; Q190-I194 WeakPolarHBondContact O-CG1 3.43Å; Q190-I194 PolarHBondContact O-N 2.95Å; L191-I194 PolarHBondContact O-N 3.39Å; A192-I194 VanDerWaalsContact C-N 3.33Å
195A91.3Very high87.6Confident0 Ų047.9 Ų47.90%024%0.241CC..SBendtrans-64.1163.9174.400000111V178 C180 L191 S197 N200 V201V178-A195 WeakPolarHBondContact O-CA 3.21Å; C180-A195 HydrophobicContact CB-CB 4.29Å; L191-A195 WeakPolarHBondContact O-CB 3.49Å; L191-A195 PolarHBondContact O-N 3.27Å; A195-S197 VanDerWaalsContact C-N 3.31Å; A195-S197 PolarHBondContact O-N 3.16Å; A195-N200 HydrophobicContact CB-CB 4.22Å; A195-V201 HydrophobicContact CB-CG2 3.85Å
196D83.3Confident87.3Confident1 Ų148.4 Ų48.41%0.00524%0.243CC..SBendtrans-62.7-38.7177.7-92.724000112.4R172 R177 V178 N200 G252 Q253R172-D196 IonicContact NH1-OD1 2.76Å; R177-D196 WeakPolarHBondContact CA-OD2 3.41Å; V178-D196 PolarHBondContact N-OD1 3.41Å; V178-D196 VanDerWaalsContact N-OD1 3.11Å; V178-D196 PolarHBondContact O-N 2.79Å; D196-N200 HydrophobicContact CB-CB 4.42Å; D196-N200 WeakPolarHBondContact CB-ND2 3.11Å; D196-G252 VanDerWaalsContact CB-CA 3.49Å; D196-G252 CarbonylContact O-C 2.81Å; D196-G252 VanDerWaalsContact O-CA 3.22Å; D196-G252 WeakPolarHBondContact O-CA 3.48Å; D196-G252 PolarHBondContact OD2-N 2.93Å; D196-Q253 WeakPolarHBondContact O-CG 3.26Å; D196-Q253 PolarHBondContact O-N 3.01Å; D196-Q253 VanDerWaalsContact O-N 3.12Å
197S82.3Confident86.4Confident23 Ų2347.9 Ų47.916%0.16124%0.244CC..SBendtrans-156.5170.4176.775.90000109.9A195 D199 N200A195-S197 VanDerWaalsContact C-N 3.31Å; A195-S197 PolarHBondContact O-N 3.16Å; S197-D199 PolarHBondContact O-N 2.99Å; S197-D199 PolarHBondContact OG-N 3.36Å; S197-N200 PolarHBondContact O-N 2.69Å
198K85.1Confident85.4Confident137 Ų13746.2 Ų46.260%0.59624%0.235SC*.G310 helixtrans-58-31.1173.9-169.6175.2-177.5174.80112.7E188 N200 V201E188-K198 WeakPolarHBondContact OE1-CE 3.41Å; E188-K198 IonicContact OE1-NZ 2.64Å; E188-K198 PolarHBondContact OE1-NZ 2.79Å; K198-N200 PolarHBondContact O-N 2.99Å; K198-V201 PolarHBondContact O-N 2.82Å
199D81.4Confident84.4Confident82 Ų8250.1 Ų50.144%0.43925%0.253SS..G310 helixtrans-72.6-12.6176.5-67.2-34000113S197 V201 R221S197-D199 PolarHBondContact O-N 2.99Å; S197-D199 PolarHBondContact OG-N 3.36Å; D199-V201 VanDerWaalsContact C-N 3.34Å; D199-R221 WeakPolarHBondContact O-CD 3.48Å; D199-R221 PolarHBondContact O-NH1 3.17Å
200N85.9Confident83.6Confident2 Ų244.2 Ų44.21%0.01123%0.23CC..G310 helixtrans-96.97.9177.1-63.7-21.1000112.4Y179 C180 A195 D196 S197 K198Y179-N200 WeakPolarHBondContact CA-O 3.35Å; Y179-N200 HydrophobicContact CD1-CB 3.57Å; Y179-N200 HydrophobicContact CE1-CB 3.77Å; Y179-N200 VanDerWaalsContact CE1-CG 3.45Å; Y179-N200 WeakPolarHBondContact CE1-OD1 3.4Å; Y179-N200 HydrophobicContact CG-CB 4.35Å; C180-N200 PolarHBondContact N-O 2.87Å; A195-N200 HydrophobicContact CB-CB 4.22Å; D196-N200 HydrophobicContact CB-CB 4.42Å; D196-N200 WeakPolarHBondContact CB-ND2 3.11Å; S197-N200 PolarHBondContact O-N 2.69Å; K198-N200 PolarHBondContact O-N 2.99Å
201V89.8Confident82.6Confident6 Ų642.8 Ų42.84%0.03622%0.223CC..EExtended strand (participates in β ladder)trans-98.6126.9169.5-174.60000109.2C180 L191 A192 A195 K198 D199 P203C180-V201 CarbonylContact O-C 3.6Å; C180-V201 WeakPolarHBondContact O-CA 3.39Å; L191-V201 HydrophobicContact CB-CG1 3.88Å; L191-V201 HydrophobicContact CB-CG2 4.08Å; L191-V201 HydrophobicContact CD1-CG1 4.2Å; A192-V201 HydrophobicContact CB-CG2 4.12Å; A195-V201 HydrophobicContact CB-CG2 3.85Å; K198-V201 PolarHBondContact O-N 2.82Å; D199-V201 VanDerWaalsContact C-N 3.34Å; V201-P203 VanDerWaalsContact O-CD 3.3Å; V201-P203 WeakPolarHBondContact O-CD 3.46Å
202F88.4Confident81.6Confident9 Ų949.2 Ų49.24%0.03925%0.251CS..EExtended strand (participates in β ladder)trans-109.497.7176.1-61.2-80.7000109.9Y179 C180 V181 G182 I214 I218 R221Y179-F202 AromaticContact CD1-CE2 3.61Å; Y179-F202 HydrophobicContact CD1-CE2 3.61Å; Y179-F202 HydrophobicContact CD1-CZ 4.24Å; Y179-F202 HydrophobicContact CE1-CE2 4.31Å; Y179-F202 HydrophobicContact CG-CE2 4.42Å; C180-F202 PolarHBondContact O-N 2.82Å; V181-F202 HydrophobicContact CG2-CB 4.38Å; V181-F202 HydrophobicContact CG2-CD2 4.34Å; G182-F202 PolarHBondContact N-O 2.92Å; F202-I214 HydrophobicContact CB-CG2 3.76Å; F202-I214 HydrophobicContact CD1-CG2 3.83Å; F202-I214 HydrophobicContact CG-CG2 3.89Å; F202-I218 HydrophobicContact CD1-CG1 4.23Å; F202-I218 HydrophobicContact CD2-CD1 4.37Å; F202-I218 HydrophobicContact CD2-CG1 3.73Å; F202-I218 HydrophobicContact CE1-CG1 4.06Å; F202-I218 HydrophobicContact CE2-CB 4.4Å; F202-I218 HydrophobicContact CE2-CG1 3.52Å; F202-I218 HydrophobicContact CG-CG1 4.06Å; F202-I218 HydrophobicContact CZ-CB 4.31Å; F202-I218 HydrophobicContact CZ-CG1 3.71Å; F202-R221 HydrophobicContact CZ-CB 4.12Å; F202-R221 HydrophobicContact CZ-CG 4.39Å
203P86.2Confident80.6Confident58 Ų5851 Ų5138%0.37727%0.272SS..EExtended strand (participates in β ladder)trans-76.4125.4179.630.6-35.3000111F186 V201F186-P203 HydrophobicContact CE1-CB 4.17Å; F186-P203 HydrophobicContact CE2-CB 3.99Å; F186-P203 HydrophobicContact CZ-CB 3.3Å; V201-P203 VanDerWaalsContact O-CD 3.3Å; V201-P203 WeakPolarHBondContact O-CD 3.46Å
204V85.1Confident79.9Confident1 Ų149.2 Ų49.21%0.00626%0.262CS..EExtended strand (participates in β ladder)trans-114.782-179.9-160.10000109.8V181 G182 V183 L184 G207 A210 L211 I214V181-V204 HydrophobicContact CG1-CG2 3.73Å; G182-V204 WeakPolarHBondContact O-CG2 3.4Å; G182-V204 PolarHBondContact O-N 2.81Å; V183-V204 HydrophobicContact CB-CB 4.47Å; V183-V204 HydrophobicContact CG1-CB 4.19Å; V183-V204 HydrophobicContact CG1-CG1 4.48Å; V183-V204 HydrophobicContact CG2-CB 4.23Å; V183-V204 HydrophobicContact CG2-CG2 4.2Å; L184-V204 PolarHBondContact N-O 3.35Å; V204-G207 WeakPolarHBondContact CG1-O 3.45Å; V204-A210 HydrophobicContact CG1-CB 3.78Å; V204-L211 HydrophobicContact CG1-CD2 4.46Å; V204-L211 HydrophobicContact CG1-CG 4.42Å; V204-L211 HydrophobicContact CG2-CD2 3.86Å; V204-I214 HydrophobicContact CB-CD1 3.98Å; V204-I214 HydrophobicContact CG1-CD1 3.85Å; V204-I214 HydrophobicContact CG2-CD1 3.27Å
205K76.7Confident79.1Confident156 Ų15649.5 Ų49.568%0.67826%0.264SS*.THydrogen-bonded Turntrans-78.6-28.6-175.3-63.3-173.2-179.9-177.90113.6G207K205-G207 PolarHBondContact O-N 2.92Å; K205-G207 VanDerWaalsContact O-N 3.09Å
206D75.3Confident78.3Confident143 Ų14353.6 Ų53.677%0.76529%0.285SS*.THydrogen-bonded Turntrans-78.313.5179.2-57.8-40.7000112.8A210D206-A210 HydrophobicContact CB-CB 3.8Å
207G68.9Low78Confident11 Ų1156.2 Ų56.211%0.11330%0.304CS..  trans78.4-179.4-177.200000113.6V204 K205 H209 A210V204-G207 WeakPolarHBondContact CG1-O 3.45Å; K205-G207 PolarHBondContact O-N 2.92Å; K205-G207 VanDerWaalsContact O-N 3.09Å; G207-H209 PolarHBondContact O-N 3.22Å; G207-H209 VanDerWaalsContact O-N 3.14Å; G207-A210 PolarHBondContact O-N 3.09Å
208F69.2Low77.7Confident6 Ų655.3 Ų55.33%0.02630%0.297CS..G310 helixtrans-61.6-23-173.9-73.8-93.3000114.2V61 N64 E67 I68 L151 D153 V183 L184 A210 L211V61-F208 HydrophobicContact CG1-CZ 4.3Å; N64-F208 HydrophobicContact CB-CD1 4.29Å; N64-F208 HydrophobicContact CB-CD2 3.52Å; N64-F208 HydrophobicContact CB-CE1 4.34Å; N64-F208 HydrophobicContact CB-CE2 3.55Å; N64-F208 HydrophobicContact CB-CG 3.92Å; N64-F208 HydrophobicContact CB-CZ 3.97Å; E67-F208 HydrophobicContact CB-CB 3.54Å; E67-F208 HydrophobicContact CB-CD1 4.28Å; E67-F208 HydrophobicContact CB-CG 4.23Å; E67-F208 HydrophobicContact CG-CB 4Å; E67-F208 WeakPolarHBondContact OE1-CB 3.24Å; E67-F208 WeakPolarHBondContact OE2-CB 3.35Å; I68-F208 HydrophobicContact CD1-CE1 3.69Å; I68-F208 HydrophobicContact CD1-CZ 4.38Å; I68-F208 HydrophobicContact CG1-CD1 3.77Å; I68-F208 HydrophobicContact CG1-CE1 3.42Å; I68-F208 VanDerWaalsContact CG1-CE1 3.42Å; I68-F208 HydrophobicContact CG1-CZ 4.49Å; L151-F208 HydrophobicContact CD2-CE1 4.27Å; D153-F208 HydrophobicContact CB-CE2 4.26Å; D153-F208 HydrophobicContact CB-CZ 3.69Å; V183-F208 HydrophobicContact CB-CD1 4.35Å; V183-F208 HydrophobicContact CB-CD2 4.38Å; V183-F208 HydrophobicContact CB-CE1 4Å; V183-F208 HydrophobicContact CB-CE2 4.07Å; V183-F208 HydrophobicContact CB-CZ 3.87Å; V183-F208 HydrophobicContact CG1-CB 4.33Å; V183-F208 HydrophobicContact CG1-CD1 3.91Å; V183-F208 HydrophobicContact CG1-CD2 3.48Å; V183-F208 VanDerWaalsContact CG1-CD2 3.48Å; V183-F208 HydrophobicContact CG1-CE1 4Å; V183-F208 HydrophobicContact CG1-CE2 3.62Å; V183-F208 HydrophobicContact CG1-CG 3.63Å; V183-F208 HydrophobicContact CG1-CZ 3.89Å; V183-F208 HydrophobicContact CG2-CD1 4.15Å; V183-F208 HydrophobicContact CG2-CE1 3.91Å; V183-F208 HydrophobicContact CG2-CZ 4.3Å; L184-F208 HydrophobicContact CD1-CD2 4.4Å; L184-F208 HydrophobicContact CD1-CE2 3.85Å; L184-F208 HydrophobicContact CG-CD2 4.46Å; L184-F208 HydrophobicContact CG-CE2 4.12Å; F208-A210 PolarHBondContact O-N 3.01Å; F208-L211 HydrophobicContact CB-CD1 4.12Å; F208-L211 HydrophobicContact CD1-CD1 3.62Å; F208-L211 HydrophobicContact CG-CD1 4.29Å; F208-L211 VanDerWaalsContact O-CB 3.23Å; F208-L211 WeakPolarHBondContact O-CB 3.49Å; F208-L211 WeakPolarHBondContact O-CD1 3.24Å; F208-L211 WeakPolarHBondContact O-CG 3.35Å; F208-L211 PolarHBondContact O-N 3.03Å; F208-L211 VanDerWaalsContact O-N 3.13Å
209H69.2Low77.2Confident152 Ų15248.9 Ų48.970%0.70427%0.269SS*.G310 helixtrans-58.7-30.6173-65.6-36.2000113.2E67 G207 L211E67-H209 IonicContact OE1-CD2 3.98Å; E67-H209 IonicContact OE1-CE1 2.95Å; E67-H209 PolarHBondContact OE1-CE1 3.14Å; E67-H209 IonicContact OE1-CG 3.39Å; E67-H209 PolarHBondContact OE1-N 3.14Å; E67-H209 IonicContact OE1-ND1 3.01Å; E67-H209 PolarHBondContact OE1-ND1 3.45Å; E67-H209 IonicContact OE1-NE2 3.77Å; G207-H209 PolarHBondContact O-N 3.22Å; G207-H209 VanDerWaalsContact O-N 3.14Å; H209-L211 VanDerWaalsContact C-N 3.31Å; H209-L211 PolarHBondContact O-N 3.41Å
210A74.6Confident76.8Confident28 Ų2851.3 Ų51.323%0.23128%0.276CS..G310 helixtrans-80.9-7.1-179.800000114V204 D206 G207 F208 K212 G213V204-A210 HydrophobicContact CG1-CB 3.78Å; D206-A210 HydrophobicContact CB-CB 3.8Å; G207-A210 PolarHBondContact O-N 3.09Å; F208-A210 PolarHBondContact O-N 3.01Å; A210-K212 PolarHBondContact O-N 3.02Å; A210-K212 VanDerWaalsContact O-N 3.1Å; A210-G213 PolarHBondContact O-N 3.49Å
211L72.3Confident76.2Confident1 Ų155.8 Ų55.81%0.00529%0.293CS..Hα-helixtrans-55.6-30.5175-75.5170.4000112.3F71 L151 V181 V183 V204 F208 H209 G213 I214F71-L211 HydrophobicContact CB-CB 3.92Å; F71-L211 HydrophobicContact CB-CD1 3.94Å; F71-L211 HydrophobicContact CB-CG 4.44Å; F71-L211 HydrophobicContact CD2-CB 3.66Å; F71-L211 HydrophobicContact CD2-CD2 4.13Å; F71-L211 HydrophobicContact CD2-CG 4.38Å; F71-L211 WeakPolarHBondContact CD2-O 3.4Å; F71-L211 HydrophobicContact CE2-CB 4.44Å; F71-L211 HydrophobicContact CE2-CD2 4.31Å; F71-L211 HydrophobicContact CG-CB 3.98Å; F71-L211 HydrophobicContact CG-CD1 4.23Å; F71-L211 HydrophobicContact CG-CD2 4.25Å; F71-L211 HydrophobicContact CG-CG 4.41Å; L151-L211 HydrophobicContact CD1-CD1 4.29Å; L151-L211 HydrophobicContact CD1-CD2 4.23Å; V181-L211 HydrophobicContact CG1-CD2 3.54Å; V183-L211 HydrophobicContact CG2-CD1 4.48Å; V183-L211 HydrophobicContact CG2-CD2 4.15Å; V204-L211 HydrophobicContact CG1-CD2 4.46Å; V204-L211 HydrophobicContact CG1-CG 4.42Å; V204-L211 HydrophobicContact CG2-CD2 3.86Å; F208-L211 HydrophobicContact CB-CD1 4.12Å; F208-L211 HydrophobicContact CD1-CD1 3.62Å; F208-L211 HydrophobicContact CG-CD1 4.29Å; F208-L211 VanDerWaalsContact O-CB 3.23Å; F208-L211 WeakPolarHBondContact O-CB 3.49Å; F208-L211 WeakPolarHBondContact O-CD1 3.24Å; F208-L211 WeakPolarHBondContact O-CG 3.35Å; F208-L211 PolarHBondContact O-N 3.03Å; F208-L211 VanDerWaalsContact O-N 3.13Å; H209-L211 VanDerWaalsContact C-N 3.31Å; H209-L211 PolarHBondContact O-N 3.41Å; L211-G213 VanDerWaalsContact C-N 3.29Å; L211-G213 PolarHBondContact O-N 2.83Å; L211-I214 PolarHBondContact O-N 2.8Å
212K70.8Confident75.2Confident137 Ų13755.6 Ų55.660%0.59629%0.292SS*.Hα-helixtrans-60.4-35.8175.8-64.8-177.3-178.7176.60113A210 I214A210-K212 PolarHBondContact O-N 3.02Å; A210-K212 VanDerWaalsContact O-N 3.1Å; K212-I214 VanDerWaalsContact C-N 3.33Å
213G72.1Confident74.4Confident57 Ų5755.5 Ų55.559%0.58829%0.292SS*.Hα-helixtrans-77.3-19.9-178.600000113.8A210 L211A210-G213 PolarHBondContact O-N 3.49Å; L211-G213 VanDerWaalsContact C-N 3.29Å; L211-G213 PolarHBondContact O-N 2.83Å
214I77.9Confident73.7Confident24 Ų2452.9 Ų52.912%0.12328%0.275CS..Hα-helixtrans-89.3-16.3-174.4-64.6173.3000111.8F202 V204 L211 K212 N216 S217 I218F202-I214 HydrophobicContact CB-CG2 3.76Å; F202-I214 HydrophobicContact CD1-CG2 3.83Å; F202-I214 HydrophobicContact CG-CG2 3.89Å; V204-I214 HydrophobicContact CB-CD1 3.98Å; V204-I214 HydrophobicContact CG1-CD1 3.85Å; V204-I214 HydrophobicContact CG2-CD1 3.27Å; L211-I214 PolarHBondContact O-N 2.8Å; K212-I214 VanDerWaalsContact C-N 3.33Å; I214-N216 VanDerWaalsContact C-N 3.27Å; I214-N216 PolarHBondContact O-N 3.3Å; I214-S217 CarbonylContact O-C 3.52Å; I214-S217 WeakPolarHBondContact O-CA 3.5Å; I214-S217 WeakPolarHBondContact O-CB 3.26Å; I214-S217 PolarHBondContact O-N 3.23Å; I214-I218 HydrophobicContact CG2-CD1 3.77Å; I214-I218 HydrophobicContact CG2-CG1 3.89Å; I214-I218 PolarHBondContact O-N 2.81Å
215V75.2Confident73Confident6 Ų655 Ų554%0.03629%0.285CS..Hα-helixtrans-50.9-47176.8178.70000111.4F71 L75 R78 S217 I218 L219F71-V215 HydrophobicContact CD2-CG2 4.05Å; F71-V215 HydrophobicContact CE2-CG2 3.96Å; L75-V215 HydrophobicContact CB-CG1 4.5Å; L75-V215 HydrophobicContact CD1-CG1 4.25Å; L75-V215 HydrophobicContact CD1-CG2 4.43Å; L75-V215 HydrophobicContact CG-CG1 4.33Å; R78-V215 HydrophobicContact CG-CG1 4.17Å; V215-S217 VanDerWaalsContact C-N 3.34Å; V215-S217 PolarHBondContact O-N 3.29Å; V215-I218 PolarHBondContact O-N 2.63Å; V215-L219 HydrophobicContact CG1-CD1 3.78Å; V215-L219 HydrophobicContact CG1-CG 4.42Å; V215-L219 WeakPolarHBondContact O-CB 3.29Å; V215-L219 WeakPolarHBondContact O-CD1 3.48Å; V215-L219 VanDerWaalsContact O-CG 3.26Å; V215-L219 WeakPolarHBondContact O-CG 3.41Å; V215-L219 PolarHBondContact O-N 2.85Å
216N75.3Confident72.8Confident86 Ų8648.3 Ų48.346%0.4626%0.256SS..Hα-helixtrans-66.2-35.8178.6-70.1-10.5000112.7I214 K220I214-N216 VanDerWaalsContact C-N 3.27Å; I214-N216 PolarHBondContact O-N 3.3Å; N216-K220 VanDerWaalsContact O-CB 3.29Å; N216-K220 WeakPolarHBondContact O-CB 3.33Å; N216-K220 PolarHBondContact O-N 3.14Å
217S77.2Confident73Confident56 Ų5646.5 Ų46.539%0.39225%0.246SC..Hα-helixtrans-68.8-39176.4-61.70000111.7I214 V215 R221I214-S217 CarbonylContact O-C 3.52Å; I214-S217 WeakPolarHBondContact O-CA 3.5Å; I214-S217 WeakPolarHBondContact O-CB 3.26Å; I214-S217 PolarHBondContact O-N 3.23Å; V215-S217 VanDerWaalsContact C-N 3.34Å; V215-S217 PolarHBondContact O-N 3.29Å; S217-R221 WeakPolarHBondContact O-CG 3.43Å; S217-R221 PolarHBondContact O-N 2.92Å; S217-R221 VanDerWaalsContact O-N 3.14Å
218I75.4Confident73.7Confident3 Ų348.8 Ų48.82%0.01526%0.258CS..Hα-helixtrans-63.7-55.2173.3-69.4165000108.7F71 L75 L149 V181 F202 I214 V215 K220 R221 S222F71-I218 HydrophobicContact CE2-CD1 3.92Å; F71-I218 HydrophobicContact CZ-CD1 3.56Å; L75-I218 HydrophobicContact CD1-CB 4.45Å; L75-I218 HydrophobicContact CD1-CD1 4.12Å; L75-I218 HydrophobicContact CD1-CG2 4.15Å; L149-I218 HydrophobicContact CD1-CD1 4.3Å; L149-I218 HydrophobicContact CD2-CD1 4.4Å; V181-I218 HydrophobicContact CG2-CD1 4.05Å; F202-I218 HydrophobicContact CD1-CG1 4.23Å; F202-I218 HydrophobicContact CD2-CD1 4.37Å; F202-I218 HydrophobicContact CD2-CG1 3.73Å; F202-I218 HydrophobicContact CE1-CG1 4.06Å; F202-I218 HydrophobicContact CE2-CB 4.4Å; F202-I218 HydrophobicContact CE2-CG1 3.52Å; F202-I218 HydrophobicContact CG-CG1 4.06Å; F202-I218 HydrophobicContact CZ-CB 4.31Å; F202-I218 HydrophobicContact CZ-CG1 3.71Å; I214-I218 HydrophobicContact CG2-CD1 3.77Å; I214-I218 HydrophobicContact CG2-CG1 3.89Å; I214-I218 PolarHBondContact O-N 2.81Å; V215-I218 PolarHBondContact O-N 2.63Å; I218-K220 VanDerWaalsContact C-N 3.28Å; I218-K220 PolarHBondContact O-N 3.02Å; I218-R221 PolarHBondContact O-N 3.33Å; I218-S222 WeakPolarHBondContact O-CB 3.5Å; I218-S222 PolarHBondContact O-N 3.24Å; I218-S222 PolarHBondContact O-OG 3.09Å
219L74.7Confident74.6Confident2 Ų249.7 Ų49.71%0.0126%0.263CS..Hα-helixtrans-50-48.1177.9-74.7164000112C45 R78 F79 V215 R221 C223C45-L219 VanDerWaalsContact SG-CD2 3.52Å; R78-L219 HydrophobicContact CB-CD1 4.21Å; F79-L219 HydrophobicContact CD1-CD2 3.94Å; F79-L219 HydrophobicContact CD2-CD2 4.21Å; F79-L219 HydrophobicContact CE1-CD2 3.31Å; F79-L219 HydrophobicContact CE2-CD2 3.53Å; F79-L219 HydrophobicContact CE2-CG 4.41Å; F79-L219 HydrophobicContact CG-CD2 4.37Å; F79-L219 HydrophobicContact CZ-CD2 3.09Å; F79-L219 HydrophobicContact CZ-CG 4.15Å; V215-L219 HydrophobicContact CG1-CD1 3.78Å; V215-L219 HydrophobicContact CG1-CG 4.42Å; V215-L219 WeakPolarHBondContact O-CB 3.29Å; V215-L219 WeakPolarHBondContact O-CD1 3.48Å; V215-L219 VanDerWaalsContact O-CG 3.26Å; V215-L219 WeakPolarHBondContact O-CG 3.41Å; V215-L219 PolarHBondContact O-N 2.85Å; L219-R221 VanDerWaalsContact C-N 3.35Å; L219-R221 PolarHBondContact O-N 3.45Å; L219-C223 WeakPolarHBondContact O-CB 3.25Å; L219-C223 PolarHBondContact O-N 2.92Å; L219-C223 PolarHBondContact O-SG 3.21Å
220K73.4Confident75.5Confident133 Ų13346.8 Ų46.858%0.57825%0.25SS*.Hα-helixtrans-64.9-33.5-179.6-172.6174.2-179176.90113.7N216 I218 N247N216-K220 VanDerWaalsContact O-CB 3.29Å; N216-K220 WeakPolarHBondContact O-CB 3.33Å; N216-K220 PolarHBondContact O-N 3.14Å; I218-K220 VanDerWaalsContact C-N 3.28Å; I218-K220 PolarHBondContact O-N 3.02Å; K220-N247 WeakPolarHBondContact O-CB 3.46Å
221R72.4Confident76.2Confident97 Ų9747.8 Ų47.837%0.36625%0.254SS..Hα-helixtrans-91.5-32.7-178.6-69.1-173.6-178-179.5-3.5113R177 Y179 D199 F202 S217 I218 L219R177-R221 PolarHBondContact NH2-O 3.29Å; Y179-R221 HydrophobicContact CE1-CB 4.31Å; Y179-R221 PolarHBondContact OH-O 3.21Å; D199-R221 WeakPolarHBondContact O-CD 3.48Å; D199-R221 PolarHBondContact O-NH1 3.17Å; F202-R221 HydrophobicContact CZ-CB 4.12Å; F202-R221 HydrophobicContact CZ-CG 4.39Å; S217-R221 WeakPolarHBondContact O-CG 3.43Å; S217-R221 PolarHBondContact O-N 2.92Å; S217-R221 VanDerWaalsContact O-N 3.14Å; I218-R221 PolarHBondContact O-N 3.33Å; L219-R221 VanDerWaalsContact C-N 3.35Å; L219-R221 PolarHBondContact O-N 3.45Å
222S69.1Low77Confident2 Ų251.6 Ų51.61%0.01428%0.281CS..Hα-helixtrans-81.1-36.2-175.771.60000111.8I147 R177 Y179 I218 T224I147-S222 WeakPolarHBondContact CD1-O 3.23Å; R177-S222 PolarHBondContact NH1-O 3.48Å; Y179-S222 WeakPolarHBondContact OH-CA 3.48Å; I218-S222 WeakPolarHBondContact O-CB 3.5Å; I218-S222 PolarHBondContact O-N 3.24Å; I218-S222 PolarHBondContact O-OG 3.09Å; S222-T224 PolarHBondContact O-N 2.89Å
223C72.1Confident77.9Confident6 Ų648.4 Ų48.44%0.04127%0.273CS..  trans-82.2114.2-179.2-56.90000110.9C45 Y49 L219 E225C45-C223 HydrophobicContact CB-CB 3.74Å; C45-C223 WeakPolarHBondContact CB-SG 3.43Å; C45-C223 WeakPolarHBondContact SG-CB 3.34Å; C45-C223 CovalentContact SG-SG 2Å; C45-C223 PolarHBondContact SG-SG 3.34Å; Y49-C223 HydrophobicContact CE2-CB 4.36Å; L219-C223 WeakPolarHBondContact O-CB 3.25Å; L219-C223 PolarHBondContact O-N 2.92Å; L219-C223 PolarHBondContact O-SG 3.21Å; C223-E225 PolarHBondContact O-N 3.24Å
224T70Confident78.8Confident3 Ų346.1 Ų46.12%0.01825%0.247CC..  trans-859217347.60000110.4Y49 S222 N247 G248 L301 I308Y49-T224 WeakPolarHBondContact CE1-OG1 3.26Å; Y49-T224 WeakPolarHBondContact OH-CA 3.48Å; Y49-T224 PolarHBondContact OH-N 3.43Å; Y49-T224 PolarHBondContact OH-O 3.24Å; Y49-T224 PolarHBondContact OH-OG1 3.11Å; S222-T224 PolarHBondContact O-N 2.89Å; T224-N247 VanDerWaalsContact CA-O 3.28Å; T224-N247 WeakPolarHBondContact CA-O 3.25Å; T224-G248 WeakPolarHBondContact CG2-O 3.46Å; T224-L301 HydrophobicContact CG2-CD1 3.61Å; T224-I308 WeakPolarHBondContact O-CG2 3.47Å
225E70.6Confident79.4Confident47 Ų4746.3 Ų46.322%0.2225%0.251CS..  trans-116.8130.1176.4-68.4-172.8174.800110C45 H46 G47 C223 L227 G246 N247C45-E225 WeakPolarHBondContact CA-OE1 3.47Å; H46-E225 PolarHBondContact N-OE1 3.41Å; G47-E225 PolarHBondContact N-OE1 2.95Å; G47-E225 VanDerWaalsContact N-OE1 3.15Å; C223-E225 PolarHBondContact O-N 3.24Å; E225-L227 PolarHBondContact O-N 3.32Å; E225-G246 CarbonylContact O-C 3.42Å; E225-G246 WeakPolarHBondContact O-CA 3.41Å; E225-N247 PolarHBondContact O-N 2.88Å
226I74.1Confident80.2Confident15 Ų1547.5 Ų47.58%0.07726%0.258CS..EExtended strand (participates in β ladder)trans-80.9111.4168.5-62.8166.6000106V229 L244 F249 I299 Y312I226-V229 HydrophobicContact CG2-CG2 3.7Å; I226-L244 HydrophobicContact CG2-CD2 4.27Å; I226-F249 HydrophobicContact CG1-CE1 3.74Å; I226-F249 HydrophobicContact CG1-CZ 3.92Å; I226-I299 HydrophobicContact CD1-CB 4.19Å; I226-I299 HydrophobicContact CD1-CD1 3.45Å; I226-I299 VanDerWaalsContact CD1-CD1 3.45Å; I226-I299 HydrophobicContact CD1-CG1 3.85Å; I226-Y312 HydrophobicContact CB-CE2 3.95Å; I226-Y312 HydrophobicContact CD1-CE2 3.89Å; I226-Y312 HydrophobicContact CG2-CD2 4.5Å; I226-Y312 HydrophobicContact CG2-CE2 3.7Å; I226-Y312 PolarHBondContact O-OH 2.77Å
227L78.1Confident80.9Confident105 Ų10548.6 Ų48.655%0.5526%0.264SS..EExtended strand (participates in β ladder)trans-83-46.3-179.4-65.5172.5000110.1E225 R245E225-L227 PolarHBondContact O-N 3.32Å; L227-R245 PolarHBondContact N-O 3.48Å
228T83.6Confident81.4Confident59 Ų5951.4 Ų51.436%0.36227%0.271SS..EExtended strand (participates in β ladder)trans-144.9149.9178.767.40000111.9R245T228-R245 PolarHBondContact N-O 3.43Å; T228-R245 VanDerWaalsContact N-O 3.08Å; T228-R245 PolarHBondContact O-N 2.87Å; T228-R245 WeakPolarHBondContact OG1-CB 3.4Å
229V87.8Confident82.1Confident24 Ų2456.2 Ų56.215%0.14530%0.304CS..EExtended strand (participates in β ladder)trans-120121.5171.8-173.90000107.4I226 I242 L244 Y312 I314I226-V229 HydrophobicContact CG2-CG2 3.7Å; V229-I242 HydrophobicContact CG1-CG2 3.72Å; V229-L244 HydrophobicContact CB-CD2 4.18Å; V229-L244 HydrophobicContact CG1-CD2 3.83Å; V229-L244 HydrophobicContact CG2-CD2 3.59Å; V229-Y312 HydrophobicContact CB-CG 4.47Å; V229-Y312 HydrophobicContact CG2-CD1 3.71Å; V229-Y312 HydrophobicContact CG2-CD2 3.73Å; V229-Y312 HydrophobicContact CG2-CE1 4.06Å; V229-Y312 HydrophobicContact CG2-CE2 4.09Å; V229-Y312 HydrophobicContact CG2-CG 3.52Å; V229-I314 HydrophobicContact CG1-CD1 4.3Å
230E89.2Confident82.8Confident92 Ų9257.6 Ų57.643%0.4331%0.31SS..EExtended strand (participates in β ladder)trans-124135.7179.9-66.5175169.600109.4V243 R245E230-V243 HydrophobicContact CB-CB 4.48Å; E230-V243 PolarHBondContact N-O 3.46Å; E230-V243 PolarHBondContact O-N 2.95Å; E230-R245 IonicContact OE2-NE 3.63Å
231P89.9Confident83.6Confident48 Ų4855.4 Ų55.431%0.31231%0.305SS..  cis-84.6156.1-5.235.2-36.8000113.4V234P231-V234 HydrophobicContact CB-CG1 4.41Å; P231-V234 HydrophobicContact CG-CG1 3.47Å; P231-V234 VanDerWaalsContact CG-CG1 3.47Å
232S88.1Confident84.5Confident81 Ų8150.8 Ų50.857%0.56629%0.288SS*.SBendtrans-81-24.1172.654.10000113.4T315S232-T315 PolarHBondContact O-N 3.01Å; S232-T315 VanDerWaalsContact O-N 3.13Å
233V90Very high85.6Confident71 Ų7152.6 Ų52.643%0.4330%0.298SS..EExtended strand (participates in β ladder)trans-131134.6-179.9-175.20000109.2T315 S317V233-T315 VanDerWaalsContact CA-O 3.31Å; V233-T315 WeakPolarHBondContact CA-O 3.29Å; V233-S317 WeakPolarHBondContact CG1-OG 3.33Å
234V91.6Very high86.4Confident8 Ų852.3 Ų52.35%0.04830%0.297CS..EExtended strand (participates in β ladder)trans-126.8160.8-178-63.60000112.3P231 F240 L288 I314 T315 A316 S317P231-V234 HydrophobicContact CB-CG1 4.41Å; P231-V234 HydrophobicContact CG-CG1 3.47Å; P231-V234 VanDerWaalsContact CG-CG1 3.47Å; V234-F240 HydrophobicContact CB-CD1 4.01Å; V234-F240 HydrophobicContact CB-CE1 3.8Å; V234-F240 HydrophobicContact CB-CE2 4.48Å; V234-F240 HydrophobicContact CB-CG 4.46Å; V234-F240 HydrophobicContact CB-CZ 4.05Å; V234-F240 HydrophobicContact CG1-CD1 3.98Å; V234-F240 HydrophobicContact CG1-CD2 3.8Å; V234-F240 HydrophobicContact CG1-CE1 3.85Å; V234-F240 HydrophobicContact CG1-CE2 3.65Å; V234-F240 HydrophobicContact CG1-CG 3.96Å; V234-F240 HydrophobicContact CG1-CZ 3.68Å; V234-F240 HydrophobicContact CG2-CD1 4.42Å; V234-F240 HydrophobicContact CG2-CE1 3.71Å; V234-F240 HydrophobicContact CG2-CZ 3.83Å; V234-L288 HydrophobicContact CG2-CD1 3.74Å; V234-I314 HydrophobicContact CG1-CG2 3.89Å; V234-I314 HydrophobicContact CG2-CG2 4Å; V234-T315 PolarHBondContact N-O 3.29Å; V234-A316 CarbonylContact O-C 2.9Å; V234-A316 WeakPolarHBondContact O-CA 3.34Å; V234-S317 PolarHBondContact O-N 2.62Å; V234-S317 PolarHBondContact O-OG 2.8Å
235C90.3Very high87.3Confident29 Ų2957.9 Ų57.920%0.19632%0.317CS..EExtended strand (participates in β ladder)trans-85.6137.7179-54.40000110.7E238 S317 C319C235-E238 HydrophobicContact CB-CB 4.23Å; C235-E238 HydrophobicContact CB-CG 4.2Å; C235-E238 VanDerWaalsContact CB-OE2 3.25Å; C235-E238 WeakPolarHBondContact CB-OE2 3.42Å; C235-S317 WeakPolarHBondContact CA-O 3.3Å; C235-C319 WeakPolarHBondContact CA-SG 3.47Å; C235-C319 HydrophobicContact CB-CB 3.61Å; C235-C319 WeakPolarHBondContact CB-SG 3.35Å; C235-C319 WeakPolarHBondContact SG-CB 3.49Å; C235-C319 CovalentContact SG-SG 2.01Å; C235-C319 PolarHBondContact SG-SG 2.85Å
236V91.8Very high87.7Confident30 Ų3055.8 Ų55.818%0.18231%0.308CS..THydrogen-bonded Turntrans-63.2140.9173.8173.20000110.7E238 L288 Y289 P291 A316 S317V236-E238 PolarHBondContact O-N 2.84Å; V236-L288 WeakPolarHBondContact CA-O 3.28Å; V236-Y289 VanDerWaalsContact CG1-C 3.46Å; V236-Y289 WeakPolarHBondContact CG1-O 3.39Å; V236-P291 HydrophobicContact CG2-CB 4.3Å; V236-A316 HydrophobicContact CG2-CB 4.03Å; V236-S317 PolarHBondContact N-O 3.02Å; V236-S317 VanDerWaalsContact N-O 3.17Å
237N89.1Confident87.8Confident110 Ų11057.2 Ų57.259%0.58832%0.316SS*.THydrogen-bonded Turntrans62.319.5178.9-64.4-28.1000116L288 Y289N237-L288 PolarHBondContact N-O 2.98Å; N237-Y289 VanDerWaalsContact OD1-CD1 3.24Å; N237-Y289 WeakPolarHBondContact OD1-CD1 3.45Å
238E87.9Confident87.6Confident115 Ų11552.4 Ų52.454%0.53729%0.291SS..  trans-117140.4174.8-66.8-171.416400110.8C235 V236C235-E238 HydrophobicContact CB-CB 4.23Å; C235-E238 HydrophobicContact CB-CG 4.2Å; C235-E238 VanDerWaalsContact CB-OE2 3.25Å; C235-E238 WeakPolarHBondContact CB-OE2 3.42Å; V236-E238 PolarHBondContact O-N 2.84Å
239S89.4Confident87.2Confident103 Ų10349.6 Ų49.672%0.7227%0.274SS*.  trans-80.9137.3171.757.70000110.1
240F89.6Confident86.3Confident31 Ų3149.2 Ų49.214%0.13627%0.273CS..  trans-141.8154.5178.260.7-85.6000110.7V234 I242 A285 M295V234-F240 HydrophobicContact CB-CD1 4.01Å; V234-F240 HydrophobicContact CB-CE1 3.8Å; V234-F240 HydrophobicContact CB-CE2 4.48Å; V234-F240 HydrophobicContact CB-CG 4.46Å; V234-F240 HydrophobicContact CB-CZ 4.05Å; V234-F240 HydrophobicContact CG1-CD1 3.98Å; V234-F240 HydrophobicContact CG1-CD2 3.8Å; V234-F240 HydrophobicContact CG1-CE1 3.85Å; V234-F240 HydrophobicContact CG1-CE2 3.65Å; V234-F240 HydrophobicContact CG1-CG 3.96Å; V234-F240 HydrophobicContact CG1-CZ 3.68Å; V234-F240 HydrophobicContact CG2-CD1 4.42Å; V234-F240 HydrophobicContact CG2-CE1 3.71Å; V234-F240 HydrophobicContact CG2-CZ 3.83Å; F240-I242 HydrophobicContact CD2-CG1 3.98Å; F240-I242 HydrophobicContact CE2-CD1 4.01Å; F240-I242 HydrophobicContact CE2-CG1 3.64Å; F240-A285 HydrophobicContact CD2-CB 3.9Å; F240-A285 HydrophobicContact CE1-CB 4.41Å; F240-A285 HydrophobicContact CE2-CB 3.39Å; F240-A285 HydrophobicContact CZ-CB 3.68Å; F240-A285 PolarHBondContact O-N 2.88Å; F240-M295 HydrophobicContact CE2-CE 4.06Å; F240-M295 HydrophobicContact CZ-CE 3.76Å
241D91.3Very high85.1Confident87 Ų8746.3 Ų46.347%0.46526%0.26SS..EExtended strand (participates in β ladder)trans-99.5135.3169.9-70.5-24.4000108.9P284D241-P284 WeakPolarHBondContact OD1-CA 3.34Å
242I91.3Very high83.7Confident1 Ų144.8 Ų44.81%0.00525%0.253CS..EExtended strand (participates in β ladder)trans-87.1129.4172.9-64.6162.4000108.3V229 F240 L244 F262 L282 C283 A285 M295 V297 I314V229-I242 HydrophobicContact CG1-CG2 3.72Å; F240-I242 HydrophobicContact CD2-CG1 3.98Å; F240-I242 HydrophobicContact CE2-CD1 4.01Å; F240-I242 HydrophobicContact CE2-CG1 3.64Å; I242-L244 HydrophobicContact CG2-CD2 4.34Å; I242-L244 HydrophobicContact CG2-CG 4.1Å; I242-F262 HydrophobicContact CD1-CD1 4.24Å; I242-F262 HydrophobicContact CD1-CE1 3.46Å; I242-F262 VanDerWaalsContact CD1-CE1 3.46Å; I242-F262 HydrophobicContact CD1-CZ 4.15Å; I242-L282 WeakPolarHBondContact O-CA 3.48Å; I242-C283 PolarHBondContact N-O 3.43Å; I242-C283 PolarHBondContact O-N 3.34Å; I242-A285 HydrophobicContact CD1-CB 3.55Å; I242-A285 HydrophobicContact CG1-CB 3.9Å; I242-M295 HydrophobicContact CD1-CE 3.73Å; I242-V297 HydrophobicContact CD1-CG2 3.95Å; I242-I314 HydrophobicContact CD1-CD1 3.69Å; I242-I314 HydrophobicContact CG1-CD1 3.94Å; I242-I314 HydrophobicContact CG2-CD1 4.5Å
243V92.3Very high82.2Confident39 Ų3947.6 Ų47.624%0.23626%0.257CS..EExtended strand (participates in β ladder)trans-100.3110.5172.6-169.10000108.4E230 R245 L282E230-V243 HydrophobicContact CB-CB 4.48Å; E230-V243 PolarHBondContact N-O 3.46Å; E230-V243 PolarHBondContact O-N 2.95Å; V243-R245 HydrophobicContact CG1-CG 4.29Å; V243-L282 HydrophobicContact CB-CD2 4.13Å; V243-L282 HydrophobicContact CG1-CD2 4Å; V243-L282 HydrophobicContact CG2-CD2 3.63Å
244L88.9Confident80.7Confident1 Ų147.3 Ų47.31%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-95.2115.7172.9-68159.2000107.6I226 V229 I242 Y280 L281 I299I226-L244 HydrophobicContact CG2-CD2 4.27Å; V229-L244 HydrophobicContact CB-CD2 4.18Å; V229-L244 HydrophobicContact CG1-CD2 3.83Å; V229-L244 HydrophobicContact CG2-CD2 3.59Å; I242-L244 HydrophobicContact CG2-CD2 4.34Å; I242-L244 HydrophobicContact CG2-CG 4.1Å; L244-Y280 CarbonylContact O-C 3.53Å; L244-Y280 WeakPolarHBondContact O-CA 3.48Å; L244-Y280 WeakPolarHBondContact O-CB 3.43Å; L244-L281 HydrophobicContact CB-CB 4.29Å; L244-L281 HydrophobicContact CD1-CD2 3.79Å; L244-L281 PolarHBondContact N-O 3.46Å; L244-L281 PolarHBondContact O-N 2.87Å; L244-I299 HydrophobicContact CD1-CD1 3.89Å; L244-I299 HydrophobicContact CD1-CG1 3.46Å; L244-I299 VanDerWaalsContact CD1-CG1 3.46Å; L244-I299 HydrophobicContact CD2-CD1 3.87Å; L244-I299 HydrophobicContact CD2-CG1 4.28Å; L244-I299 HydrophobicContact CG-CG1 4.48Å
245R87.7Confident79.6Confident120 Ų12050.3 Ų50.345%0.45327%0.274SS..EExtended strand (participates in β ladder)trans-103.1138.8173.1-64.6178.6175.9-88-0.2109.8L227 T228 E230 V243L227-R245 PolarHBondContact N-O 3.48Å; T228-R245 PolarHBondContact N-O 3.43Å; T228-R245 VanDerWaalsContact N-O 3.08Å; T228-R245 PolarHBondContact O-N 2.87Å; T228-R245 WeakPolarHBondContact OG1-CB 3.4Å; E230-R245 IonicContact OE2-NE 3.63Å; V243-R245 HydrophobicContact CG1-CG 4.29Å
246G80.5Confident78.4Confident3 Ų355.8 Ų55.83%0.03130%0.297CS..EExtended strand (participates in β ladder)trans175.9-161.3-173.500000111.4E225 F249 D279E225-G246 CarbonylContact O-C 3.42Å; E225-G246 WeakPolarHBondContact O-CA 3.41Å; G246-F249 VanDerWaalsContact CA-CE2 3.46Å; G246-F249 VanDerWaalsContact N-CE2 3.31Å; G246-D279 PolarHBondContact N-O 3.1Å; G246-D279 CarbonylContact O-C 3.49Å; G246-D279 VanDerWaalsContact O-CA 3.23Å; G246-D279 WeakPolarHBondContact O-CA 3.16Å
247N76.4Confident77.5Confident45 Ų4555.1 Ų55.124%0.24130%0.295CS..SBendtrans-126.9152.9176.9-64.3-48.7000110.4K220 T224 E225 F249 N278K220-N247 WeakPolarHBondContact O-CB 3.46Å; T224-N247 VanDerWaalsContact CA-O 3.28Å; T224-N247 WeakPolarHBondContact CA-O 3.25Å; E225-N247 PolarHBondContact O-N 2.88Å; N247-F249 PolarHBondContact O-N 3.23Å; N247-N278 CarbonylContact C-O 3.59Å; N247-N278 WeakPolarHBondContact CA-O 3.15Å
248G73.2Confident77.3Confident3 Ų349.9 Ų49.93%0.03127%0.268CS..  trans76.215.3168.100000115.8R177 T224 S250 N278R177-G248 PolarHBondContact NH2-O 2.92Å; R177-G248 VanDerWaalsContact NH2-O 3.09Å; T224-G248 WeakPolarHBondContact CG2-O 3.46Å; G248-S250 VanDerWaalsContact C-N 3.29Å; G248-S250 PolarHBondContact O-N 3.23Å; G248-N278 PolarHBondContact N-O 3.06Å; G248-N278 VanDerWaalsContact N-O 3.07Å
249F75.8Confident77.3Confident0 Ų046 Ų460%025%0.25CC..  trans-70.6-19.8-177.6-58.5-51.9000114.7I226 G246 N247 R277 L281 I308I226-F249 HydrophobicContact CG1-CE1 3.74Å; I226-F249 HydrophobicContact CG1-CZ 3.92Å; G246-F249 VanDerWaalsContact CA-CE2 3.46Å; G246-F249 VanDerWaalsContact N-CE2 3.31Å; N247-F249 PolarHBondContact O-N 3.23Å; F249-R277 WeakPolarHBondContact CB-O 3.28Å; F249-L281 HydrophobicContact CD2-CB 4.27Å; F249-L281 HydrophobicContact CG-CB 4.48Å; F249-I308 HydrophobicContact CD1-CD1 4.48Å
250S68.6Low77.4Confident17 Ų1741 Ų4112%0.11922%0.216CC..  trans-79.5133.7173.180.40000110.3G248 N278G248-S250 VanDerWaalsContact C-N 3.29Å; G248-S250 PolarHBondContact O-N 3.23Å; S250-N278 VanDerWaalsContact CB-OD1 3.3Å; S250-N278 WeakPolarHBondContact CB-OD1 3.31Å; S250-N278 PolarHBondContact N-OD1 3.31Å; S250-N278 PolarHBondContact OG-ND2 2.68Å; S250-N278 PolarHBondContact OG-OD1 3.35Å
251I64.2Low77.4Confident31 Ų3139.8 Ų39.816%0.15921%0.21CC..  trans-126124.4-175.9-51.5160.8000107.1R177 V258 L301R177-I251 HydrophobicContact CG-CG2 4.48Å; I251-V258 HydrophobicContact CD1-CG2 3.73Å; I251-L301 VanDerWaalsContact CD1-CA 3.49Å; I251-L301 HydrophobicContact CD1-CB 3.26Å; I251-L301 HydrophobicContact CD1-CD1 4.16Å; I251-L301 HydrophobicContact CD1-CD2 3.81Å; I251-L301 HydrophobicContact CD1-CG 3.84Å; I251-L301 WeakPolarHBondContact CD1-O 3.4Å; I251-L301 HydrophobicContact CG1-CB 4.18Å; I251-L301 HydrophobicContact CG1-CD1 4.25Å; I251-L301 HydrophobicContact CG1-CD2 4.39Å; I251-L301 HydrophobicContact CG1-CG 4.44Å
252G60.8Low77.5Confident15 Ų1535.6 Ų35.616%0.15519%0.188CC..THydrogen-bonded Turntrans59.3-153.7171.600000114.9D196D196-G252 VanDerWaalsContact CB-CA 3.49Å; D196-G252 CarbonylContact O-C 2.81Å; D196-G252 VanDerWaalsContact O-CA 3.22Å; D196-G252 WeakPolarHBondContact O-CA 3.48Å; D196-G252 PolarHBondContact OD2-N 2.93Å
253Q55.2Low77.5Confident140 Ų14037.8 Ų37.865%0.65420%0.199SC*.THydrogen-bonded Turntrans-88.3-10.6179.2-60.3-178.1-1.900112.5D196D196-Q253 WeakPolarHBondContact O-CG 3.26Å; D196-Q253 PolarHBondContact O-N 3.01Å; D196-Q253 VanDerWaalsContact O-N 3.12Å
254S59Low77.5Confident65 Ų6536.7 Ų36.746%0.45519%0.193SC..  trans-140.7128.1-177.171.20000112.3E256S254-E256 PolarHBondContact O-N 2.76Å; S254-E256 VanDerWaalsContact O-N 3.11Å
255N68.7Low77.4Confident72 Ų7241.9 Ų41.939%0.38522%0.22SC..G310 helixtrans-76.19.4175.8-62.6-28.1000113.5G257 V258 V276N255-G257 PolarHBondContact O-N 2.9Å; N255-V258 PolarHBondContact O-N 3.22Å; N255-V276 HydrophobicContact CB-CB 3.97Å; N255-V276 HydrophobicContact CB-CG1 4.28Å; N255-V276 HydrophobicContact CB-CG2 4.06Å
256E65.3Low77.3Confident144 Ų14443.6 Ų43.667%0.67324%0.239SC*.G310 helixtrans-66.3-19.6-175.4-65.5-173.817700113.5S254 V258 N303S254-E256 PolarHBondContact O-N 2.76Å; S254-E256 VanDerWaalsContact O-N 3.11Å; E256-V258 VanDerWaalsContact C-N 3.34Å; E256-N303 PolarHBondContact O-OD1 3.22Å
257G71.9Confident77.8Confident15 Ų1550.3 Ų50.316%0.15527%0.269CS..G310 helixtrans-75-16.4179.900000115.4N255 L301 N303N255-G257 PolarHBondContact O-N 2.9Å; G257-L301 CarbonylContact C-O 3.5Å; G257-L301 CarbonylContact O-C 3.49Å; G257-L301 VanDerWaalsContact O-C 3.28Å; G257-L301 VanDerWaalsContact O-O 3.08Å; G257-N303 VanDerWaalsContact CA-OD1 3.23Å; G257-N303 WeakPolarHBondContact CA-OD1 3.37Å; G257-N303 PolarHBondContact O-N 3.41Å; G257-N303 PolarHBondContact O-OD1 2.8Å
258V84.8Confident78.4Confident1 Ų152.1 Ų52.11%0.00628%0.282CS..  trans-89.1126.6-168.4-170.20000111.1I251 N255 E256 P273 V276 L281 S300 L301I251-V258 HydrophobicContact CD1-CG2 3.73Å; N255-V258 PolarHBondContact O-N 3.22Å; E256-V258 VanDerWaalsContact C-N 3.34Å; V258-P273 HydrophobicContact CB-CG 4.01Å; V258-P273 HydrophobicContact CG1-CG 4.08Å; V258-P273 WeakPolarHBondContact O-CD 3.38Å; V258-V276 HydrophobicContact CB-CG2 4.42Å; V258-V276 HydrophobicContact CG2-CG1 4.44Å; V258-V276 HydrophobicContact CG2-CG2 4.49Å; V258-L281 HydrophobicContact CB-CD1 4.49Å; V258-L281 HydrophobicContact CG1-CD1 3.38Å; V258-S300 WeakPolarHBondContact CA-O 3.16Å; V258-L301 HydrophobicContact CG1-CD2 3.99Å; V258-L301 HydrophobicContact CG2-CD2 4.07Å
259I88.5Confident79.3Confident32 Ų3254.9 Ų54.916%0.16430%0.296CS..EExtended strand (participates in β ladder)trans-131.4130.3-178.9-58.3-178.6000109N270 S300 N303I259-N270 HydrophobicContact CG2-CB 3.82Å; I259-S300 PolarHBondContact N-O 2.96Å; I259-S300 PolarHBondContact O-N 3.21Å; I259-N303 HydrophobicContact CD1-CB 4.47Å
260C90.4Very high80Confident0 Ų059.6 Ų59.60%032%0.321CS..EExtended strand (participates in β ladder)trans-94.5119167.4-72.80000109.3F262 N270 N271 C283C260-F262 HydrophobicContact CB-CE1 4.34Å; C260-F262 HydrophobicContact CB-CE2 3.97Å; C260-F262 HydrophobicContact CB-CZ 3.71Å; C260-N270 WeakPolarHBondContact O-CA 3.36Å; C260-N271 PolarHBondContact N-O 2.9Å; C260-N271 PolarHBondContact O-N 3.43Å; C260-C283 HydrophobicContact CB-CB 3.66Å; C260-C283 WeakPolarHBondContact CB-SG 3.47Å; C260-C283 WeakPolarHBondContact SG-CB 3.47Å; C260-C283 CovalentContact SG-SG 2Å; C260-C283 PolarHBondContact SG-SG 3.03Å
261S91.6Very high81Confident4 Ų461.1 Ų61.13%0.02833%0.327CS..EExtended strand (participates in β ladder)trans-106.7122.8-180-165.30000108.7T268 I269 N270 L298S261-T268 WeakPolarHBondContact OG-CG2 3.38Å; S261-I269 WeakPolarHBondContact CA-O 3.45Å; S261-N270 WeakPolarHBondContact CA-OD1 3.37Å; S261-N270 WeakPolarHBondContact CB-OD1 3.34Å; S261-N270 PolarHBondContact OG-OD1 3.26Å; S261-L298 PolarHBondContact N-O 3.32Å; S261-L298 PolarHBondContact O-N 3.38Å
262F92.1Very high82.2Confident0 Ų066.6 Ų66.60%035%0.35CS..EExtended strand (participates in β ladder)trans-112.6125.8-178.6-55.3-68000109I242 C260 T268 I269 N271 C283 P284 A285 P286 M295 D296 V297I242-F262 HydrophobicContact CD1-CD1 4.24Å; I242-F262 HydrophobicContact CD1-CE1 3.46Å; I242-F262 VanDerWaalsContact CD1-CE1 3.46Å; I242-F262 HydrophobicContact CD1-CZ 4.15Å; C260-F262 HydrophobicContact CB-CE1 4.34Å; C260-F262 HydrophobicContact CB-CE2 3.97Å; C260-F262 HydrophobicContact CB-CZ 3.71Å; F262-T268 CarbonylContact O-C 3.57Å; F262-T268 VanDerWaalsContact O-CA 3.31Å; F262-T268 WeakPolarHBondContact O-CA 3.27Å; F262-I269 HydrophobicContact CB-CB 4.45Å; F262-I269 PolarHBondContact N-O 3.14Å; F262-I269 PolarHBondContact O-N 3.44Å; F262-N271 HydrophobicContact CE2-CB 4.03Å; F262-C283 HydrophobicContact CZ-CB 4.11Å; F262-P284 WeakPolarHBondContact CE2-O 3.44Å; F262-A285 HydrophobicContact CE1-CB 4.44Å; F262-A285 HydrophobicContact CZ-CB 4.31Å; F262-P286 HydrophobicContact CB-CG 4.14Å; F262-P286 HydrophobicContact CD2-CG 4.32Å; F262-P286 HydrophobicContact CG-CG 4.28Å; F262-M295 HydrophobicContact CB-CG 4.3Å; F262-M295 HydrophobicContact CB-SD 4Å; F262-M295 HydrophobicContact CD1-CE 4.34Å; F262-M295 HydrophobicContact CD1-SD 3.88Å; F262-M295 HydrophobicContact CG-SD 4.15Å; F262-D296 CarbonylContact C-O 3.56Å; F262-D296 WeakPolarHBondContact CA-O 2.89Å; F262-V297 HydrophobicContact CD1-CG1 4.21Å; F262-V297 HydrophobicContact CD1-CG2 4.12Å; F262-V297 HydrophobicContact CE1-CG1 3.91Å; F262-V297 HydrophobicContact CE1-CG2 4.27Å
263I91.6Very high83.6Confident46 Ų4667 Ų6724%0.23635%0.35CS..EExtended strand (participates in β ladder)trans-104.8114174.1-55.4170.8000107.7Q267 T268 M295 D296 L298I263-Q267 WeakPolarHBondContact CA-O 3.48Å; I263-T268 HydrophobicContact CG1-CG2 4.34Å; I263-M295 WeakPolarHBondContact O-CA 3.08Å; I263-D296 HydrophobicContact CB-CB 4.05Å; I263-D296 PolarHBondContact N-O 2.91Å; I263-D296 PolarHBondContact O-N 2.97Å; I263-L298 HydrophobicContact CD1-CD1 3.57Å; I263-L298 HydrophobicContact CG1-CD1 4.36Å
264V91.3Very high85.2Confident16 Ų1664.8 Ų64.810%0.09735%0.346CS..EExtended strand (participates in β ladder)trans-126.9121.1178.8-177.40000107.7D266 Q267 P286 L288 Q293 M295V264-D266 VanDerWaalsContact C-N 3.29Å; V264-D266 PolarHBondContact O-N 3.29Å; V264-Q267 PolarHBondContact N-O 2.87Å; V264-Q267 WeakPolarHBondContact O-CB 3.49Å; V264-Q267 PolarHBondContact O-N 3.35Å; V264-P286 HydrophobicContact CG2-CG 4.29Å; V264-L288 HydrophobicContact CG1-CD2 3.95Å; V264-L288 HydrophobicContact CG2-CD2 4.16Å; V264-Q293 VanDerWaalsContact CG1-NE2 3.27Å; V264-M295 HydrophobicContact CG2-CB 3.95Å; V264-M295 HydrophobicContact CG2-CG 3.59Å; V264-M295 HydrophobicContact CG2-SD 3.89Å
265N87.5Confident86.6Confident110 Ų11063.9 Ų63.959%0.58834%0.338SS*.THydrogen-bonded Turntrans48.548-178-58-15.7000112.8Q267 Q293N265-Q267 PolarHBondContact O-N 3.45Å; N265-Q267 VanDerWaalsContact O-N 3.12Å; N265-Q293 PolarHBondContact ND2-NE2 2.8Å; N265-Q293 PolarHBondContact OD1-NE2 3.41Å
266D86.1Confident87.4Confident157 Ų15761.2 Ų61.284%0.8433%0.325SS*.THydrogen-bonded Turntrans62.69-176.2-57.7-40.9000116.2V264V264-D266 VanDerWaalsContact C-N 3.29Å; V264-D266 PolarHBondContact O-N 3.29Å
267Q89.9Confident88.3Confident143 Ų14361.3 Ų61.367%0.66832%0.319SS*.EExtended strand (participates in β ladder)trans-100.8129.5172.1-63.8-171.6-0.400111.2I263 V264 N265I263-Q267 WeakPolarHBondContact CA-O 3.48Å; V264-Q267 PolarHBondContact N-O 2.87Å; V264-Q267 WeakPolarHBondContact O-CB 3.49Å; V264-Q267 PolarHBondContact O-N 3.35Å; N265-Q267 PolarHBondContact O-N 3.45Å; N265-Q267 VanDerWaalsContact O-N 3.12Å
268T90.6Very high88.6Confident84 Ų8462.9 Ų62.952%0.51532%0.324SS..EExtended strand (participates in β ladder)trans-94.4121.5177.9-48.90000111.3S261 F262 I263S261-T268 WeakPolarHBondContact OG-CG2 3.38Å; F262-T268 CarbonylContact O-C 3.57Å; F262-T268 VanDerWaalsContact O-CA 3.31Å; F262-T268 WeakPolarHBondContact O-CA 3.27Å; I263-T268 HydrophobicContact CG1-CG2 4.34Å
269I90.6Very high88.5Confident61 Ų6167 Ų6731%0.31335%0.345SS..EExtended strand (participates in β ladder)trans-114.5123178.6-57.4169.3000108.3S261 F262 P286S261-I269 WeakPolarHBondContact CA-O 3.45Å; F262-I269 HydrophobicContact CB-CB 4.45Å; F262-I269 PolarHBondContact N-O 3.14Å; F262-I269 PolarHBondContact O-N 3.44Å; I269-P286 HydrophobicContact CD1-CB 4.08Å; I269-P286 HydrophobicContact CD1-CG 4.11Å
270N91.2Very high88.4Confident98 Ų9868.5 Ų68.552%0.52435%0.35SS..EExtended strand (participates in β ladder)trans-108.1116.4-178.1-66.6-33.1000110.4I259 C260 S261I259-N270 HydrophobicContact CG2-CB 3.82Å; C260-N270 WeakPolarHBondContact O-CA 3.36Å; S261-N270 WeakPolarHBondContact CA-OD1 3.37Å; S261-N270 WeakPolarHBondContact CB-OD1 3.34Å; S261-N270 PolarHBondContact OG-OD1 3.26Å
271N90.4Very high88.3Confident49 Ų4968.6 Ų68.626%0.26235%0.35SS..EExtended strand (participates in β ladder)trans-116.2150.5175.3-65.4-19.7000110.9C260 F262 P284C260-N271 PolarHBondContact N-O 2.9Å; C260-N271 PolarHBondContact O-N 3.43Å; F262-N271 HydrophobicContact CE2-CB 4.03Å; N271-P284 HydrophobicContact CB-CG 4.41Å; N271-P284 PolarHBondContact ND2-O 3.13Å
272K89.7Confident88.3Confident146 Ų14670.3 Ų70.364%0.63536%0.358SS*.  trans-82.2144.4170.9-69.8-170.4176.4-171.40110.4P284K272-P284 WeakPolarHBondContact O-CD 3.29Å
273P90Very high88.4Confident25 Ų2570.3 Ų70.316%0.16236%0.358CS..  trans-66.7143.6175.627.9-34.9000111.8V258 V276 L281 L282 C283V258-P273 HydrophobicContact CB-CG 4.01Å; V258-P273 HydrophobicContact CG1-CG 4.08Å; V258-P273 WeakPolarHBondContact O-CD 3.38Å; P273-V276 HydrophobicContact CB-CG2 3.71Å; P273-V276 HydrophobicContact CG-CG2 3.34Å; P273-L281 HydrophobicContact CB-CD1 4.12Å; P273-L281 HydrophobicContact CB-CD2 3.78Å; P273-L281 HydrophobicContact CB-CG 3.93Å; P273-L281 HydrophobicContact CG-CD1 4.37Å; P273-L282 CarbonylContact C-O 3.58Å; P273-L282 VanDerWaalsContact CA-O 3.27Å; P273-L282 WeakPolarHBondContact CA-O 3.43Å; P273-L282 WeakPolarHBondContact CB-O 3.4Å; P273-C283 VanDerWaalsContact CA-SG 3.6Å
274T88.8Confident88.4Confident93 Ų9370.1 Ų70.157%0.57136%0.36SS*.SBendtrans-74.5-35173.8-50.20000110.9L282T274-L282 PolarHBondContact N-O 3.28Å
275T87.3Confident88.5Confident46 Ų4670 Ų7028%0.28236%0.361SS..EExtended strand (participates in β ladder)trans-147.7132.2179-63.70000109.7R277 Y280 L281 L282T275-R277 HydrophobicContact CG2-CG 4.1Å; T275-Y280 HydrophobicContact CG2-CE2 4.14Å; T275-L281 WeakPolarHBondContact O-CA 3.46Å; T275-L282 PolarHBondContact O-N 2.92Å
276V86.2Confident88.7Confident16 Ų1666.1 Ų66.110%0.09734%0.342CS..EExtended strand (participates in β ladder)trans-119.4114.6175179.80000107.7N255 V258 P273 L281N255-V276 HydrophobicContact CB-CB 3.97Å; N255-V276 HydrophobicContact CB-CG1 4.28Å; N255-V276 HydrophobicContact CB-CG2 4.06Å; V258-V276 HydrophobicContact CB-CG2 4.42Å; V258-V276 HydrophobicContact CG2-CG1 4.44Å; V258-V276 HydrophobicContact CG2-CG2 4.49Å; P273-V276 HydrophobicContact CB-CG2 3.71Å; P273-V276 HydrophobicContact CG-CG2 3.34Å; V276-L281 HydrophobicContact CG1-CD1 4.4Å; V276-L281 HydrophobicContact CG2-CD1 3.91Å; V276-L281 HydrophobicContact CG2-CG 4.25Å
277R83.6Confident88.9Confident146 Ų14660.7 Ų60.755%0.55132%0.315SS*.  trans-115.5171.6167.4-62-63.3-173.7163.5-2.2108.7F249 T275 D279 Y280F249-R277 WeakPolarHBondContact CB-O 3.28Å; T275-R277 HydrophobicContact CG2-CG 4.1Å; R277-D279 VanDerWaalsContact C-N 3.29Å; R277-D279 WeakPolarHBondContact CB-OD1 3.2Å; R277-Y280 CarbonylContact C-O 3.28Å; R277-Y280 WeakPolarHBondContact CA-O 3.38Å; R277-Y280 HydrophobicContact CB-CD1 4.02Å; R277-Y280 HydrophobicContact CB-CE1 3.9Å; R277-Y280 HydrophobicContact CB-CG 4.47Å; R277-Y280 WeakPolarHBondContact CB-O 3.34Å; R277-Y280 HydrophobicContact CG-CD1 4.21Å; R277-Y280 HydrophobicContact CG-CE1 3.59Å; R277-Y280 HydrophobicContact CG-CE2 4.13Å; R277-Y280 PolarHBondContact N-O 3.28Å; R277-Y280 VanDerWaalsContact O-O 3.13Å
278N77.7Confident89Confident48 Ų4853.9 Ų53.926%0.25728%0.283SS..SBendtrans-70.1-29.9178.5-107.3-26.8000113.1N247 G248 S250N247-N278 CarbonylContact C-O 3.59Å; N247-N278 WeakPolarHBondContact CA-O 3.15Å; G248-N278 PolarHBondContact N-O 3.06Å; G248-N278 VanDerWaalsContact N-O 3.07Å; S250-N278 VanDerWaalsContact CB-OD1 3.3Å; S250-N278 WeakPolarHBondContact CB-OD1 3.31Å; S250-N278 PolarHBondContact N-OD1 3.31Å; S250-N278 PolarHBondContact OG-ND2 2.68Å; S250-N278 PolarHBondContact OG-OD1 3.35Å
279D82.8Confident88.9Confident86 Ų8656.9 Ų56.946%0.4629%0.286SS..SBendtrans-102.1-24.8-172.860-38.7000113.7G246 R277G246-D279 PolarHBondContact N-O 3.1Å; G246-D279 CarbonylContact O-C 3.49Å; G246-D279 VanDerWaalsContact O-CA 3.23Å; G246-D279 WeakPolarHBondContact O-CA 3.16Å; R277-D279 VanDerWaalsContact C-N 3.29Å; R277-D279 WeakPolarHBondContact CB-OD1 3.2Å
280Y87.1Confident88.9Confident65 Ų6558.7 Ų58.726%0.25530%0.296SS..EExtended strand (participates in β ladder)trans-147.7158.517473-87.8000113.3L244 T275 R277 L282L244-Y280 CarbonylContact O-C 3.53Å; L244-Y280 WeakPolarHBondContact O-CA 3.48Å; L244-Y280 WeakPolarHBondContact O-CB 3.43Å; T275-Y280 HydrophobicContact CG2-CE2 4.14Å; R277-Y280 CarbonylContact C-O 3.28Å; R277-Y280 WeakPolarHBondContact CA-O 3.38Å; R277-Y280 HydrophobicContact CB-CD1 4.02Å; R277-Y280 HydrophobicContact CB-CE1 3.9Å; R277-Y280 HydrophobicContact CB-CG 4.47Å; R277-Y280 WeakPolarHBondContact CB-O 3.34Å; R277-Y280 HydrophobicContact CG-CD1 4.21Å; R277-Y280 HydrophobicContact CG-CE1 3.59Å; R277-Y280 HydrophobicContact CG-CE2 4.13Å; R277-Y280 PolarHBondContact N-O 3.28Å; R277-Y280 VanDerWaalsContact O-O 3.13Å; Y280-L282 HydrophobicContact CD2-CD2 4.26Å; Y280-L282 HydrophobicContact CD2-CG 3.99Å; Y280-L282 HydrophobicContact CE2-CD1 4.05Å; Y280-L282 HydrophobicContact CE2-CD2 4.48Å; Y280-L282 HydrophobicContact CE2-CG 3.9Å
281L88.9Confident88.7Confident1 Ų158.1 Ų58.11%0.00530%0.297CS..EExtended strand (participates in β ladder)trans-133.5136.2174.9-176.7154.8000109.6L244 F249 V258 P273 T275 V276 C283L244-L281 HydrophobicContact CB-CB 4.29Å; L244-L281 HydrophobicContact CD1-CD2 3.79Å; L244-L281 PolarHBondContact N-O 3.46Å; L244-L281 PolarHBondContact O-N 2.87Å; F249-L281 HydrophobicContact CD2-CB 4.27Å; F249-L281 HydrophobicContact CG-CB 4.48Å; V258-L281 HydrophobicContact CB-CD1 4.49Å; V258-L281 HydrophobicContact CG1-CD1 3.38Å; P273-L281 HydrophobicContact CB-CD1 4.12Å; P273-L281 HydrophobicContact CB-CD2 3.78Å; P273-L281 HydrophobicContact CB-CG 3.93Å; P273-L281 HydrophobicContact CG-CD1 4.37Å; T275-L281 WeakPolarHBondContact O-CA 3.46Å; V276-L281 HydrophobicContact CG1-CD1 4.4Å; V276-L281 HydrophobicContact CG2-CD1 3.91Å; V276-L281 HydrophobicContact CG2-CG 4.25Å; L281-C283 HydrophobicContact CD2-CB 3.98Å; L281-C283 WeakPolarHBondContact CD2-SG 3.22Å
282L91.9Very high88.5Confident40 Ų4058.6 Ų58.621%0.20931%0.314CS..EExtended strand (participates in β ladder)trans-107.9120.5177.5-63.8178.6000109.6I242 V243 P273 T274 T275 Y280I242-L282 WeakPolarHBondContact O-CA 3.48Å; V243-L282 HydrophobicContact CB-CD2 4.13Å; V243-L282 HydrophobicContact CG1-CD2 4Å; V243-L282 HydrophobicContact CG2-CD2 3.63Å; P273-L282 CarbonylContact C-O 3.58Å; P273-L282 VanDerWaalsContact CA-O 3.27Å; P273-L282 WeakPolarHBondContact CA-O 3.43Å; P273-L282 WeakPolarHBondContact CB-O 3.4Å; T274-L282 PolarHBondContact N-O 3.28Å; T275-L282 PolarHBondContact O-N 2.92Å; Y280-L282 HydrophobicContact CD2-CD2 4.26Å; Y280-L282 HydrophobicContact CD2-CG 3.99Å; Y280-L282 HydrophobicContact CE2-CD1 4.05Å; Y280-L282 HydrophobicContact CE2-CD2 4.48Å; Y280-L282 HydrophobicContact CE2-CG 3.9Å
283C92.4Very high88.6Confident0 Ų052.6 Ų52.60%029%0.288CS..EExtended strand (participates in β ladder)trans-123.8126179.1-940000112.4I242 C260 F262 P273 L281 A285I242-C283 PolarHBondContact N-O 3.43Å; I242-C283 PolarHBondContact O-N 3.34Å; C260-C283 HydrophobicContact CB-CB 3.66Å; C260-C283 WeakPolarHBondContact CB-SG 3.47Å; C260-C283 WeakPolarHBondContact SG-CB 3.47Å; C260-C283 CovalentContact SG-SG 2Å; C260-C283 PolarHBondContact SG-SG 3.03Å; F262-C283 HydrophobicContact CZ-CB 4.11Å; P273-C283 VanDerWaalsContact CA-SG 3.6Å; L281-C283 HydrophobicContact CD2-CB 3.98Å; L281-C283 WeakPolarHBondContact CD2-SG 3.22Å; C283-A285 PolarHBondContact O-N 3.45Å
284P93.3Very high88.6Confident43 Ų4354.9 Ų54.928%0.27930%0.302SS..EExtended strand (participates in β ladder)trans-72.2118.8176.429.5-31.6000109.1D241 F262 N271 K272D241-P284 WeakPolarHBondContact OD1-CA 3.34Å; F262-P284 WeakPolarHBondContact CE2-O 3.44Å; N271-P284 HydrophobicContact CB-CG 4.41Å; N271-P284 PolarHBondContact ND2-O 3.13Å; K272-P284 WeakPolarHBondContact O-CD 3.29Å
285A92.2Very high88.8Confident13 Ų1350.5 Ų50.511%0.10728%0.275CS..PPolyproline II helixtrans-93151.1-176.800000111.6F240 I242 F262 C283 M295F240-A285 HydrophobicContact CD2-CB 3.9Å; F240-A285 HydrophobicContact CE1-CB 4.41Å; F240-A285 HydrophobicContact CE2-CB 3.39Å; F240-A285 HydrophobicContact CZ-CB 3.68Å; F240-A285 PolarHBondContact O-N 2.88Å; I242-A285 HydrophobicContact CD1-CB 3.55Å; I242-A285 HydrophobicContact CG1-CB 3.9Å; F262-A285 HydrophobicContact CE1-CB 4.44Å; F262-A285 HydrophobicContact CZ-CB 4.31Å; C283-A285 PolarHBondContact O-N 3.45Å; A285-M295 HydrophobicContact CB-CE 4.19Å
286P92Very high89Confident28 Ų2850.7 Ų50.718%0.18227%0.274CS..PPolyproline II helixtrans-67.9149.6169.130.1-34.5000111.1F262 V264 I269 M295F262-P286 HydrophobicContact CB-CG 4.14Å; F262-P286 HydrophobicContact CD2-CG 4.32Å; F262-P286 HydrophobicContact CG-CG 4.28Å; V264-P286 HydrophobicContact CG2-CG 4.29Å; I269-P286 HydrophobicContact CD1-CB 4.08Å; I269-P286 HydrophobicContact CD1-CG 4.11Å; P286-M295 HydrophobicContact CG-SD 3.85Å
287T91.2Very high89.2Confident44 Ų4449.9 Ų49.927%0.2727%0.269SS..PPolyproline II helixtrans-72.5137.6177.251.50000111.4Y289T287-Y289 PolarHBondContact OG1-OH 3.36Å
288L91.2Very high89.4Confident0 Ų044.2 Ų44.20%025%0.25CC..PPolyproline II helixtrans-96135.6173.5-58.5179.1000110V234 V236 N237 V264 Q293 M295 A316V234-L288 HydrophobicContact CG2-CD1 3.74Å; V236-L288 WeakPolarHBondContact CA-O 3.28Å; N237-L288 PolarHBondContact N-O 2.98Å; V264-L288 HydrophobicContact CG1-CD2 3.95Å; V264-L288 HydrophobicContact CG2-CD2 4.16Å; L288-Q293 HydrophobicContact CD2-CG 4.27Å; L288-M295 HydrophobicContact CD1-CB 4.2Å; L288-M295 HydrophobicContact CD2-CB 4.2Å; L288-A316 HydrophobicContact CB-CB 3.79Å; L288-A316 HydrophobicContact CD1-CB 3.76Å; L288-A316 HydrophobicContact CG-CB 4.42Å
289Y89.4Confident89.8Confident147 Ų14742 Ų4258%0.57624%0.238SC*.  trans-104-26.6-169.2-66.2-77.8000113.5V236 N237 T287V236-Y289 VanDerWaalsContact CG1-C 3.46Å; V236-Y289 WeakPolarHBondContact CG1-O 3.39Å; N237-Y289 VanDerWaalsContact OD1-CD1 3.24Å; N237-Y289 WeakPolarHBondContact OD1-CD1 3.45Å; T287-Y289 PolarHBondContact OG1-OH 3.36Å
290D89.6Confident89.7Confident99 Ų9937.9 Ų37.953%0.52922%0.216SC..SBendtrans-115.1138-174.5-65-52.9000111.5G292 Q293 A316D290-G292 PolarHBondContact O-N 3.46Å; D290-Q293 HydrophobicContact CB-CB 4.35Å; D290-Q293 WeakPolarHBondContact O-CB 3.46Å; D290-Q293 PolarHBondContact O-N 3.04Å; D290-A316 WeakPolarHBondContact O-CB 3.19Å
291P87.4Confident89.2Confident85 Ų8535.7 Ų35.755%0.55221%0.209SC*.THydrogen-bonded Turntrans-66.7132.8174.628.6-33.3000110.4V236 Q293 T318V236-P291 HydrophobicContact CG2-CB 4.3Å; P291-Q293 VanDerWaalsContact C-N 3.32Å; P291-T318 HydrophobicContact CB-CG2 3.92Å
292G86.5Confident88.4Confident59 Ų5937.1 Ų37.161%0.60822%0.216SC*.THydrogen-bonded Turntrans85.3-1-174.600000114.6D290 A316D290-G292 PolarHBondContact O-N 3.46Å; G292-A316 PolarHBondContact N-O 3.47Å
293Q90.1Very high87.7Confident20 Ų2040 Ų409%0.09323%0.232CC..  trans-63.6137.6170.9-168.4174.52100110.6V264 N265 L288 D290 P291 A316V264-Q293 VanDerWaalsContact CG1-NE2 3.27Å; N265-Q293 PolarHBondContact ND2-NE2 2.8Å; N265-Q293 PolarHBondContact OD1-NE2 3.41Å; L288-Q293 HydrophobicContact CD2-CG 4.27Å; D290-Q293 HydrophobicContact CB-CB 4.35Å; D290-Q293 WeakPolarHBondContact O-CB 3.46Å; D290-Q293 PolarHBondContact O-N 3.04Å; P291-Q293 VanDerWaalsContact C-N 3.32Å; Q293-A316 HydrophobicContact CB-CB 4.21Å; Q293-A316 PolarHBondContact O-N 3.38Å
294T91.8Very high86.7Confident74 Ų7441.9 Ų41.945%0.45425%0.251SS..EExtended strand (participates in β ladder)trans-108.5144.4178.3540000111I314 T315T294-I314 CarbonylContact C-O 3.38Å; T294-I314 WeakPolarHBondContact CA-O 3.42Å; T294-T315 HydrophobicContact CG2-CG2 4.12Å
295M91.8Very high85.5Confident0 Ų044.6 Ų44.60%026%0.258CS..EExtended strand (participates in β ladder)trans-128.3128174175.7174.86800110.1F240 I242 F262 I263 V264 A285 P286 L288 V297 T313 I314F240-M295 HydrophobicContact CE2-CE 4.06Å; F240-M295 HydrophobicContact CZ-CE 3.76Å; I242-M295 HydrophobicContact CD1-CE 3.73Å; F262-M295 HydrophobicContact CB-CG 4.3Å; F262-M295 HydrophobicContact CB-SD 4Å; F262-M295 HydrophobicContact CD1-CE 4.34Å; F262-M295 HydrophobicContact CD1-SD 3.88Å; F262-M295 HydrophobicContact CG-SD 4.15Å; I263-M295 WeakPolarHBondContact O-CA 3.08Å; V264-M295 HydrophobicContact CG2-CB 3.95Å; V264-M295 HydrophobicContact CG2-CG 3.59Å; V264-M295 HydrophobicContact CG2-SD 3.89Å; A285-M295 HydrophobicContact CB-CE 4.19Å; P286-M295 HydrophobicContact CG-SD 3.85Å; L288-M295 HydrophobicContact CD1-CB 4.2Å; L288-M295 HydrophobicContact CD2-CB 4.2Å; M295-V297 HydrophobicContact CE-CG2 4.26Å; M295-T313 CarbonylContact O-C 3.57Å; M295-T313 WeakPolarHBondContact O-CA 3.23Å; M295-I314 HydrophobicContact CE-CB 4.3Å; M295-I314 HydrophobicContact CE-CD1 4.02Å; M295-I314 PolarHBondContact N-O 3.49Å; M295-I314 PolarHBondContact O-N 2.84Å
296D91.8Very high84.3Confident50 Ų5045 Ų4527%0.26726%0.26SS..EExtended strand (participates in β ladder)trans-97126.3177.6-81.4-2.2000110.3F262 I263 A311 Y312 T313F262-D296 CarbonylContact C-O 3.56Å; F262-D296 WeakPolarHBondContact CA-O 2.89Å; I263-D296 HydrophobicContact CB-CB 4.05Å; I263-D296 PolarHBondContact N-O 2.91Å; I263-D296 PolarHBondContact O-N 2.97Å; D296-A311 HydrophobicContact CB-CB 3.86Å; D296-Y312 WeakPolarHBondContact CA-O 3.44Å; D296-T313 WeakPolarHBondContact OD1-CG2 3.45Å
297V90.7Very high83.4Confident0 Ų048.2 Ų48.20%027%0.271CS..EExtended strand (participates in β ladder)trans-104.9122.8-177.2-171.90000109.7I242 F262 M295 I299 A311 Y312 I314I242-V297 HydrophobicContact CD1-CG2 3.95Å; F262-V297 HydrophobicContact CD1-CG1 4.21Å; F262-V297 HydrophobicContact CD1-CG2 4.12Å; F262-V297 HydrophobicContact CE1-CG1 3.91Å; F262-V297 HydrophobicContact CE1-CG2 4.27Å; M295-V297 HydrophobicContact CE-CG2 4.26Å; V297-I299 HydrophobicContact CG1-CD1 3.97Å; V297-A311 WeakPolarHBondContact O-CA 3.5Å; V297-Y312 PolarHBondContact N-O 2.9Å; V297-Y312 PolarHBondContact O-N 2.9Å; V297-Y312 VanDerWaalsContact O-N 3.09Å; V297-I314 HydrophobicContact CG2-CD1 3.67Å; V297-I314 HydrophobicContact CG2-CG1 4.13Å
298L88Confident82.2Confident27 Ų2748 Ų4814%0.14127%0.269CS..EExtended strand (participates in β ladder)trans-124.5132.3177.9-71.8168.2000110S261 I263 F307 A311S261-L298 PolarHBondContact N-O 3.32Å; S261-L298 PolarHBondContact O-N 3.38Å; I263-L298 HydrophobicContact CD1-CD1 3.57Å; I263-L298 HydrophobicContact CG1-CD1 4.36Å; L298-F307 HydrophobicContact CB-CD1 3.67Å; L298-F307 HydrophobicContact CB-CE1 3.89Å; L298-F307 HydrophobicContact CB-CG 4.38Å; L298-F307 HydrophobicContact CD2-CB 4.46Å; L298-A311 HydrophobicContact CD2-CB 3.85Å; L298-A311 HydrophobicContact CG-CB 4.11Å
299I85.6Confident81Confident1 Ų149.6 Ų49.61%0.00528%0.28CS..EExtended strand (participates in β ladder)trans-110.2124.3-177.5-59.367.6000108.1I226 L244 V297 L301 F307 I308I226-I299 HydrophobicContact CD1-CB 4.19Å; I226-I299 HydrophobicContact CD1-CD1 3.45Å; I226-I299 VanDerWaalsContact CD1-CD1 3.45Å; I226-I299 HydrophobicContact CD1-CG1 3.85Å; L244-I299 HydrophobicContact CD1-CD1 3.89Å; L244-I299 HydrophobicContact CD1-CG1 3.46Å; L244-I299 VanDerWaalsContact CD1-CG1 3.46Å; L244-I299 HydrophobicContact CD2-CD1 3.87Å; L244-I299 HydrophobicContact CD2-CG1 4.28Å; L244-I299 HydrophobicContact CG-CG1 4.48Å; V297-I299 HydrophobicContact CG1-CD1 3.97Å; I299-L301 HydrophobicContact CG2-CD2 4.19Å; I299-F307 WeakPolarHBondContact O-CA 3.47Å; I299-I308 HydrophobicContact CB-CD1 4.25Å; I299-I308 HydrophobicContact CG2-CD1 3.87Å; I299-I308 PolarHBondContact O-N 3.4Å; I299-I308 VanDerWaalsContact O-N 3.16Å
300S80.9Confident80.2Confident0 Ų047.1 Ų47.10%028%0.284CS..EExtended strand (participates in β ladder)trans-111.3132.3169.7158.80000110V258 I259 N302 G304V258-S300 WeakPolarHBondContact CA-O 3.16Å; I259-S300 PolarHBondContact N-O 2.96Å; I259-S300 PolarHBondContact O-N 3.21Å; S300-N302 PolarHBondContact OG-N 3.44Å; S300-N302 PolarHBondContact OG-OD1 3.24Å; S300-G304 WeakPolarHBondContact OG-CA 3.3Å; S300-G304 PolarHBondContact OG-N 3.1Å
301L77.7Confident79.8Confident19 Ų1944.2 Ų44.210%0.09927%0.273CS..SBendtrans-93.2-15.3174.6-71.8-166.9000112.7T224 I251 G257 V258 I299 I308T224-L301 HydrophobicContact CG2-CD1 3.61Å; I251-L301 VanDerWaalsContact CD1-CA 3.49Å; I251-L301 HydrophobicContact CD1-CB 3.26Å; I251-L301 HydrophobicContact CD1-CD1 4.16Å; I251-L301 HydrophobicContact CD1-CD2 3.81Å; I251-L301 HydrophobicContact CD1-CG 3.84Å; I251-L301 WeakPolarHBondContact CD1-O 3.4Å; I251-L301 HydrophobicContact CG1-CB 4.18Å; I251-L301 HydrophobicContact CG1-CD1 4.25Å; I251-L301 HydrophobicContact CG1-CD2 4.39Å; I251-L301 HydrophobicContact CG1-CG 4.44Å; G257-L301 CarbonylContact C-O 3.5Å; G257-L301 CarbonylContact O-C 3.49Å; G257-L301 VanDerWaalsContact O-C 3.28Å; G257-L301 VanDerWaalsContact O-O 3.08Å; V258-L301 HydrophobicContact CG1-CD2 3.99Å; V258-L301 HydrophobicContact CG2-CD2 4.07Å; I299-L301 HydrophobicContact CG2-CD2 4.19Å; L301-I308 HydrophobicContact CD1-CD1 3.52Å; L301-I308 HydrophobicContact CD1-CG1 4.01Å; L301-I308 HydrophobicContact CD2-CD1 3.89Å; L301-I308 HydrophobicContact CG-CD1 3.45Å; L301-I308 VanDerWaalsContact CG-CD1 3.45Å; L301-I308 HydrophobicContact CG-CG1 3.85Å
302N71.9Confident79.8Confident31 Ų3143.6 Ų43.617%0.16626%0.261CS..SBendtrans-125.749.8-169.661.7-4.8000113.3S300 G304 K305 S306S300-N302 PolarHBondContact OG-N 3.44Å; S300-N302 PolarHBondContact OG-OD1 3.24Å; N302-G304 VanDerWaalsContact C-N 3.33Å; N302-G304 PolarHBondContact O-N 2.97Å; N302-K305 HydrophobicContact CB-CB 4.45Å; N302-K305 WeakPolarHBondContact ND2-CB 3.43Å; N302-K305 WeakPolarHBondContact O-CB 3.28Å; N302-K305 WeakPolarHBondContact O-CG 3.49Å; N302-K305 PolarHBondContact O-N 2.89Å; N302-K305 PolarHBondContact OD1-N 3.3Å; N302-S306 PolarHBondContact ND2-N 3.07Å; N302-S306 PolarHBondContact ND2-OG 3.32Å; N302-S306 PolarHBondContact OD1-N 2.84Å; N302-S306 PolarHBondContact OD1-O 3.03Å; N302-S306 PolarHBondContact OD1-OG 3.36Å
303N75.7Confident80Confident101 Ų10145.4 Ų45.454%0.5426%0.26SS..THydrogen-bonded Turntrans57.539.4178.5-74.7-24.6000114.4E256 G257 I259E256-N303 PolarHBondContact O-OD1 3.22Å; G257-N303 VanDerWaalsContact CA-OD1 3.23Å; G257-N303 WeakPolarHBondContact CA-OD1 3.37Å; G257-N303 PolarHBondContact O-N 3.41Å; G257-N303 PolarHBondContact O-OD1 2.8Å; I259-N303 HydrophobicContact CD1-CB 4.47Å
304G71.8Confident80Confident38 Ų3844.6 Ų44.639%0.39226%0.256SS..THydrogen-bonded Turntrans81.110177.400000114.4S300 N302S300-G304 WeakPolarHBondContact OG-CA 3.3Å; S300-G304 PolarHBondContact OG-N 3.1Å; N302-G304 VanDerWaalsContact C-N 3.33Å; N302-G304 PolarHBondContact O-N 2.97Å
305K68.1Low80Confident101 Ų10143.8 Ų43.844%0.43925%0.251SS..SBendtrans-79.2-31.5-177.8-69.2176.7-177178.90113K143 K173 N302K143-K305 HydrophobicContact CD-CB 4.29Å; K143-K305 WeakPolarHBondContact CD-O 3.25Å; K173-K305 PolarHBondContact O-NZ 3.29Å; K173-K305 VanDerWaalsContact O-NZ 3.16Å; N302-K305 HydrophobicContact CB-CB 4.45Å; N302-K305 WeakPolarHBondContact ND2-CB 3.43Å; N302-K305 WeakPolarHBondContact O-CB 3.28Å; N302-K305 WeakPolarHBondContact O-CG 3.49Å; N302-K305 PolarHBondContact O-N 2.89Å; N302-K305 PolarHBondContact OD1-N 3.3Å
306S67.8Low80Confident22 Ų2244 Ų4415%0.15425%0.253CS..  trans-150.2147.1175.366.10000111.5N302N302-S306 PolarHBondContact ND2-N 3.07Å; N302-S306 PolarHBondContact ND2-OG 3.32Å; N302-S306 PolarHBondContact OD1-N 2.84Å; N302-S306 PolarHBondContact OD1-O 3.03Å; N302-S306 PolarHBondContact OD1-OG 3.36Å
307F72.8Confident79.9Confident94 Ų9443.5 Ų43.541%0.41225%0.253SS..BIsolated β-bridgetrans-104.9140.6177-60.4-80.3000110.8L298 I299L298-F307 HydrophobicContact CB-CD1 3.67Å; L298-F307 HydrophobicContact CB-CE1 3.89Å; L298-F307 HydrophobicContact CB-CG 4.38Å; L298-F307 HydrophobicContact CD2-CB 4.46Å; I299-F307 WeakPolarHBondContact O-CA 3.47Å
308I64.9Low79.9Confident41 Ų4149 Ų4921%0.2129%0.287CS..SBendtrans-71.2-34.4-172.6-50.6170.8000111.9T224 F249 I299 L301T224-I308 WeakPolarHBondContact O-CG2 3.47Å; F249-I308 HydrophobicContact CD1-CD1 4.48Å; I299-I308 HydrophobicContact CB-CD1 4.25Å; I299-I308 HydrophobicContact CG2-CD1 3.87Å; I299-I308 PolarHBondContact O-N 3.4Å; I299-I308 VanDerWaalsContact O-N 3.16Å; L301-I308 HydrophobicContact CD1-CD1 3.52Å; L301-I308 HydrophobicContact CD1-CG1 4.01Å; L301-I308 HydrophobicContact CD2-CD1 3.89Å; L301-I308 HydrophobicContact CG-CD1 3.45Å; L301-I308 VanDerWaalsContact CG-CD1 3.45Å; L301-I308 HydrophobicContact CG-CG1 3.85Å
309S67.9Low79.6Confident33 Ų3350.9 Ų50.923%0.23130%0.302CS..SBendtrans-144.7173.6-169.968.10000112.4Y312S309-Y312 WeakPolarHBondContact OG-CE2 3.42Å
310S71.8Confident79.1Confident95 Ų9555.4 Ų55.466%0.66433%0.333SS*.SBendtrans-57.8154.2161.251.30000110.8
311A81.2Confident78.5Confident38 Ų3859.6 Ų59.631%0.31436%0.363SS..PPolyproline II helixtrans-59.9138.8175.200000111.3D296 V297 L298D296-A311 HydrophobicContact CB-CB 3.86Å; V297-A311 WeakPolarHBondContact O-CA 3.5Å; L298-A311 HydrophobicContact CD2-CB 3.85Å; L298-A311 HydrophobicContact CG-CB 4.11Å
312Y87.3Confident78.1Confident72 Ų7261.3 Ų61.328%0.28239%0.385SS..EExtended strand (participates in β ladder)trans-98.4124.9169.2-69.3-89000109.5I226 V229 D296 V297 S309I226-Y312 HydrophobicContact CB-CE2 3.95Å; I226-Y312 HydrophobicContact CD1-CE2 3.89Å; I226-Y312 HydrophobicContact CG2-CD2 4.5Å; I226-Y312 HydrophobicContact CG2-CE2 3.7Å; I226-Y312 PolarHBondContact O-OH 2.77Å; V229-Y312 HydrophobicContact CB-CG 4.47Å; V229-Y312 HydrophobicContact CG2-CD1 3.71Å; V229-Y312 HydrophobicContact CG2-CD2 3.73Å; V229-Y312 HydrophobicContact CG2-CE1 4.06Å; V229-Y312 HydrophobicContact CG2-CE2 4.09Å; V229-Y312 HydrophobicContact CG2-CG 3.52Å; D296-Y312 WeakPolarHBondContact CA-O 3.44Å; V297-Y312 PolarHBondContact N-O 2.9Å; V297-Y312 PolarHBondContact O-N 2.9Å; V297-Y312 VanDerWaalsContact O-N 3.09Å; S309-Y312 WeakPolarHBondContact OG-CE2 3.42Å
313T89.8Confident78.1Confident97 Ų9763 Ų6360%0.59540%0.399SS*.EExtended strand (participates in β ladder)trans-86.9122.3-178.6550000110.5M295 D296M295-T313 CarbonylContact O-C 3.57Å; M295-T313 WeakPolarHBondContact O-CA 3.23Å; D296-T313 WeakPolarHBondContact OD1-CG2 3.45Å
314I90.6Very high78.2Confident3 Ų362.5 Ų62.52%0.01540%0.4CS..EExtended strand (participates in β ladder)trans-106.7137.5169.6-61.9178.8000108.5V229 V234 I242 T294 M295 V297V229-I314 HydrophobicContact CG1-CD1 4.3Å; V234-I314 HydrophobicContact CG1-CG2 3.89Å; V234-I314 HydrophobicContact CG2-CG2 4Å; I242-I314 HydrophobicContact CD1-CD1 3.69Å; I242-I314 HydrophobicContact CG1-CD1 3.94Å; I242-I314 HydrophobicContact CG2-CD1 4.5Å; T294-I314 CarbonylContact C-O 3.38Å; T294-I314 WeakPolarHBondContact CA-O 3.42Å; M295-I314 HydrophobicContact CE-CB 4.3Å; M295-I314 HydrophobicContact CE-CD1 4.02Å; M295-I314 PolarHBondContact N-O 3.49Å; M295-I314 PolarHBondContact O-N 2.84Å; V297-I314 HydrophobicContact CG2-CD1 3.67Å; V297-I314 HydrophobicContact CG2-CG1 4.13Å
315T91.8Very high78.6Confident56 Ų5666.5 Ų66.534%0.34441%0.412SS..EExtended strand (participates in β ladder)trans-111.2137-178.2550000112.2S232 V233 V234 T294S232-T315 PolarHBondContact O-N 3.01Å; S232-T315 VanDerWaalsContact O-N 3.13Å; V233-T315 VanDerWaalsContact CA-O 3.31Å; V233-T315 WeakPolarHBondContact CA-O 3.29Å; V234-T315 PolarHBondContact N-O 3.29Å; T294-T315 HydrophobicContact CG2-CG2 4.12Å
316A91.6Very high79.3Confident5 Ų566.9 Ų66.94%0.04142%0.418CS..EExtended strand (participates in β ladder)trans-81.5138171.200000111.9V234 V236 L288 D290 G292 Q293V234-A316 CarbonylContact O-C 2.9Å; V234-A316 WeakPolarHBondContact O-CA 3.34Å; V236-A316 HydrophobicContact CG2-CB 4.03Å; L288-A316 HydrophobicContact CB-CB 3.79Å; L288-A316 HydrophobicContact CD1-CB 3.76Å; L288-A316 HydrophobicContact CG-CB 4.42Å; D290-A316 WeakPolarHBondContact O-CB 3.19Å; G292-A316 PolarHBondContact N-O 3.47Å; Q293-A316 HydrophobicContact CB-CB 4.21Å; Q293-A316 PolarHBondContact O-N 3.38Å
317S91Very high80.2Confident39 Ų3970.7 Ų70.727%0.27344%0.435SS..EExtended strand (participates in β ladder)trans-136.8159.7178.272.50000111.6V233 V234 C235 V236 C319V233-S317 WeakPolarHBondContact CG1-OG 3.33Å; V234-S317 PolarHBondContact O-N 2.62Å; V234-S317 PolarHBondContact O-OG 2.8Å; C235-S317 WeakPolarHBondContact CA-O 3.3Å; V236-S317 PolarHBondContact N-O 3.02Å; V236-S317 VanDerWaalsContact N-O 3.17Å; S317-C319 PolarHBondContact O-N 3.49Å
318T89.3Confident80.9Confident116 Ų11670 Ų7071%0.71244%0.439SS*.  trans-78113.2172.756.10000109.6P291P291-T318 HydrophobicContact CB-CG2 3.92Å
319C82.3Confident82Confident67 Ų6772.4 Ų72.445%0.45345%0.451SS..PPolyproline II helixtrans-91.1130.8176.2-65.80000111.2C235 S317C235-C319 WeakPolarHBondContact CA-SG 3.47Å; C235-C319 HydrophobicContact CB-CB 3.61Å; C235-C319 WeakPolarHBondContact CB-SG 3.35Å; C235-C319 WeakPolarHBondContact SG-CB 3.49Å; C235-C319 CovalentContact SG-SG 2.01Å; C235-C319 PolarHBondContact SG-SG 2.85Å; S317-C319 PolarHBondContact O-N 3.49Å
320S76.1Confident83.1Confident95 Ų9575.6 Ų75.666%0.66447%0.465SS*.PPolyproline II helixtrans-85.6122.8168.2-176.90000108.5G322S320-G322 PolarHBondContact O-N 2.99Å
321S67.6Low84.2Confident89 Ų8974.8 Ų74.862%0.62246%0.456SS*.PPolyproline II helixtrans-57.1123.4166.651.60000107.9S323S321-S323 PolarHBondContact O-N 3.48Å
322G68.3Low84.7Confident55 Ų5578.2 Ų78.257%0.56747%0.467SS*.THydrogen-bonded Turntrans-59.29.1-172.700000116.1S320 V324 L325 L326S320-G322 PolarHBondContact O-N 2.99Å; G322-V324 PolarHBondContact O-N 3.39Å; G322-L325 WeakPolarHBondContact O-CB 3.38Å; G322-L325 PolarHBondContact O-N 3.38Å; G322-L326 PolarHBondContact O-N 3.2Å; G322-L326 VanDerWaalsContact O-N 3.11Å
323S73Confident84.9Confident65 Ų6579.8 Ų79.846%0.45548%0.479SS..Hα-helixtrans-47.5-39.3169.8-480000112.8S321 L326 I327S321-S323 PolarHBondContact O-N 3.48Å; S323-L326 PolarHBondContact O-N 3.22Å; S323-I327 WeakPolarHBondContact O-CD1 3.32Å; S323-I327 WeakPolarHBondContact O-CG1 3.2Å; S323-I327 PolarHBondContact O-N 3.27Å
324V77.8Confident85.1Confident91 Ų9177.7 Ų77.755%0.55247%0.472SS*.Hα-helixtrans-64.6-42.4177.7-178.50000111.1G322 L326 I327 V328G322-V324 PolarHBondContact O-N 3.39Å; V324-L326 VanDerWaalsContact C-N 3.33Å; V324-L326 PolarHBondContact O-N 3.04Å; V324-I327 PolarHBondContact O-N 3.26Å; V324-V328 VanDerWaalsContact O-CG2 3.27Å; V324-V328 WeakPolarHBondContact O-CG2 3.48Å; V324-V328 PolarHBondContact O-N 2.98Å
325L80.8Confident85.2Confident123 Ų12382.3 Ų82.364%0.64450%0.496SS*.Hα-helixtrans-64.1-40.8177.1-154.990.4000111.1G322 V328 I329G322-L325 WeakPolarHBondContact O-CB 3.38Å; G322-L325 PolarHBondContact O-N 3.38Å; L325-V328 PolarHBondContact O-N 3.21Å; L325-I329 HydrophobicContact CD2-CD1 4.44Å; L325-I329 VanDerWaalsContact O-CG1 3.32Å; L325-I329 WeakPolarHBondContact O-CG1 3.25Å; L325-I329 PolarHBondContact O-N 3.07Å
326L81.8Confident85.2Confident109 Ų10984.2 Ų84.257%0.57150%0.504SS*.Hα-helixtrans-65.4-41.6178-164.6144.7000111.6G322 S323 V324 I329 L330G322-L326 PolarHBondContact O-N 3.2Å; G322-L326 VanDerWaalsContact O-N 3.11Å; S323-L326 PolarHBondContact O-N 3.22Å; V324-L326 VanDerWaalsContact C-N 3.33Å; V324-L326 PolarHBondContact O-N 3.04Å; L326-I329 PolarHBondContact O-N 3Å; L326-L330 HydrophobicContact CD2-CD1 3.66Å; L326-L330 HydrophobicContact CD2-CG 4.24Å; L326-L330 WeakPolarHBondContact O-CG 3.25Å; L326-L330 PolarHBondContact O-N 3.22Å
327I86.4Confident85.1Confident101 Ų10186.4 Ų86.452%0.51852%0.522SS..Hα-helixtrans-62.2-44.6173.6-67.6162.1000110.6S323 V324 I329 L330 V331S323-I327 WeakPolarHBondContact O-CD1 3.32Å; S323-I327 WeakPolarHBondContact O-CG1 3.2Å; S323-I327 PolarHBondContact O-N 3.27Å; V324-I327 PolarHBondContact O-N 3.26Å; I327-I329 VanDerWaalsContact C-N 3.35Å; I327-I329 PolarHBondContact O-N 3.29Å; I327-L330 PolarHBondContact O-N 3.42Å; I327-V331 HydrophobicContact CG2-CG2 4.39Å; I327-V331 VanDerWaalsContact O-CG2 3.3Å; I327-V331 WeakPolarHBondContact O-CG2 3.46Å; I327-V331 PolarHBondContact O-N 2.99Å
328V87.4Confident85Confident80 Ų8089.8 Ų89.849%0.48554%0.536SS..Hα-helixtrans-61.5-42.6178171.60000111.5V324 L325 V331 M332V324-V328 VanDerWaalsContact O-CG2 3.27Å; V324-V328 WeakPolarHBondContact O-CG2 3.48Å; V324-V328 PolarHBondContact O-N 2.98Å; L325-V328 PolarHBondContact O-N 3.21Å; V328-V331 PolarHBondContact O-N 3.15Å; V328-M332 WeakPolarHBondContact O-CG 3.19Å; V328-M332 PolarHBondContact O-N 3.26Å
329I88.7Confident84.9Confident92 Ų9287 Ų8747%0.47253%0.525SS..Hα-helixtrans-63.7-43.1176.1-68.4166.2000111L325 L326 I327 V331 M332 L333L325-I329 HydrophobicContact CD2-CD1 4.44Å; L325-I329 VanDerWaalsContact O-CG1 3.32Å; L325-I329 WeakPolarHBondContact O-CG1 3.25Å; L325-I329 PolarHBondContact O-N 3.07Å; L326-I329 PolarHBondContact O-N 3Å; I327-I329 VanDerWaalsContact C-N 3.35Å; I327-I329 PolarHBondContact O-N 3.29Å; I329-V331 PolarHBondContact O-N 3.37Å; I329-M332 PolarHBondContact O-N 3.4Å; I329-L333 HydrophobicContact CG2-CD1 4.14Å; I329-L333 WeakPolarHBondContact O-CG 3.31Å; I329-L333 PolarHBondContact O-N 2.9Å
330L91.1Very high85Confident100 Ų10089.8 Ų89.852%0.52453%0.53SS..Hα-helixtrans-62.5-41.1176.7-74.6175.7000112.2L326 I327 L333 A334L326-L330 HydrophobicContact CD2-CD1 3.66Å; L326-L330 HydrophobicContact CD2-CG 4.24Å; L326-L330 WeakPolarHBondContact O-CG 3.25Å; L326-L330 PolarHBondContact O-N 3.22Å; I327-L330 PolarHBondContact O-N 3.42Å; L330-L333 PolarHBondContact O-N 3.49Å; L330-A334 WeakPolarHBondContact O-CB 3.36Å; L330-A334 PolarHBondContact O-N 2.93Å
331V93.9Very high85.4Confident77 Ų7790.6 Ų90.647%0.46753%0.526SS..Hα-helixtrans-63.4-44.1175.4171.50000110.8I327 V328 I329 L333 A334 L335I327-V331 HydrophobicContact CG2-CG2 4.39Å; I327-V331 VanDerWaalsContact O-CG2 3.3Å; I327-V331 WeakPolarHBondContact O-CG2 3.46Å; I327-V331 PolarHBondContact O-N 2.99Å; V328-V331 PolarHBondContact O-N 3.15Å; I329-V331 PolarHBondContact O-N 3.37Å; V331-L333 PolarHBondContact O-N 3.35Å; V331-A334 PolarHBondContact O-N 3.11Å; V331-L335 HydrophobicContact CG1-CD1 4.28Å; V331-L335 WeakPolarHBondContact O-CG 3.32Å; V331-L335 PolarHBondContact O-N 3.11Å
332M92.3Very high86.1Confident111 Ų11196.9 Ų96.955%0.54754%0.536SS..Hα-helixtrans-62.1-41176.6-74.4-61.8-65.500112.5V328 I329 L335 L336V328-M332 WeakPolarHBondContact O-CG 3.19Å; V328-M332 PolarHBondContact O-N 3.26Å; I329-M332 PolarHBondContact O-N 3.4Å; M332-L335 PolarHBondContact O-N 2.86Å; M332-L336 WeakPolarHBondContact O-CG 3.48Å; M332-L336 PolarHBondContact O-N 3.32Å; M332-L336 VanDerWaalsContact O-N 3.12Å
333L92.4Very high86.5Confident104 Ų104101.6 Ų101.655%0.54554%0.537SS..Hα-helixtrans-65.6-39.5175-73.3172.6000112.2I329 L330 V331 L336 A337I329-L333 HydrophobicContact CG2-CD1 4.14Å; I329-L333 WeakPolarHBondContact O-CG 3.31Å; I329-L333 PolarHBondContact O-N 2.9Å; L330-L333 PolarHBondContact O-N 3.49Å; V331-L333 PolarHBondContact O-N 3.35Å; L333-L336 PolarHBondContact O-N 2.88Å; L333-A337 PolarHBondContact O-N 3.4Å
334A93.1Very high86.5Confident53 Ų53103.6 Ų103.644%0.43854%0.538SS..Hα-helixtrans-64.5-42.1176.300000112.1L330 V331 L336 A337 L338L330-A334 WeakPolarHBondContact O-CB 3.36Å; L330-A334 PolarHBondContact O-N 2.93Å; V331-A334 PolarHBondContact O-N 3.11Å; A334-L336 VanDerWaalsContact C-N 3.34Å; A334-L336 PolarHBondContact O-N 3.44Å; A334-A337 PolarHBondContact O-N 2.9Å; A334-L338 WeakPolarHBondContact O-CG 3.23Å; A334-L338 PolarHBondContact O-N 2.88Å
335L93Very high85.9Confident101 Ų101108.2 Ų108.253%0.52955%0.545SS..Hα-helixtrans-62.5-40.1175.6-71.1175.6000112.1V331 M332 L338 A339V331-L335 HydrophobicContact CG1-CD1 4.28Å; V331-L335 WeakPolarHBondContact O-CG 3.32Å; V331-L335 PolarHBondContact O-N 3.11Å; M332-L335 PolarHBondContact O-N 2.86Å; L335-L338 PolarHBondContact O-N 3.1Å; L335-A339 PolarHBondContact O-N 3.37Å
336L90.9Very high85Confident96 Ų96106 Ų10650%0.50354%0.538SS..Hα-helixtrans-63.6-43.7174-73.5172000111.7M332 L333 A334 L338 A339 F340M332-L336 WeakPolarHBondContact O-CG 3.48Å; M332-L336 PolarHBondContact O-N 3.32Å; M332-L336 VanDerWaalsContact O-N 3.12Å; L333-L336 PolarHBondContact O-N 2.88Å; A334-L336 VanDerWaalsContact C-N 3.34Å; A334-L336 PolarHBondContact O-N 3.44Å; L336-L338 VanDerWaalsContact C-N 3.33Å; L336-L338 PolarHBondContact O-N 2.81Å; L336-A339 PolarHBondContact O-N 2.89Å; L336-F340 WeakPolarHBondContact O-CD2 3.47Å; L336-F340 PolarHBondContact O-N 2.95Å
337A89.8Confident84.1Confident51 Ų51104.6 Ų104.642%0.42153%0.531SS..Hα-helixtrans-60.8-41.617700000112.2L333 A334 F340 L341L333-A337 PolarHBondContact O-N 3.4Å; A334-A337 PolarHBondContact O-N 2.9Å; A337-F340 PolarHBondContact O-N 3.28Å; A337-L341 WeakPolarHBondContact O-CG 3.34Å; A337-L341 PolarHBondContact O-N 3.19Å
338L89.8Confident82.7Confident109 Ų109105 Ų10557%0.57154%0.541SS*.Hα-helixtrans-64.3-40.5174.9-70.8173.9000112.3A334 L335 L336 F340 L341 W342A334-L338 WeakPolarHBondContact O-CG 3.23Å; A334-L338 PolarHBondContact O-N 2.88Å; L335-L338 PolarHBondContact O-N 3.1Å; L336-L338 VanDerWaalsContact C-N 3.33Å; L336-L338 PolarHBondContact O-N 2.81Å; L338-F340 VanDerWaalsContact C-N 3.33Å; L338-F340 PolarHBondContact O-N 2.94Å; L338-L341 PolarHBondContact O-N 3.25Å; L338-W342 WeakPolarHBondContact O-CB 3.27Å; L338-W342 PolarHBondContact O-N 3.49Å
339A86.3Confident81.1Confident59 Ų59105.3 Ų105.349%0.48855%0.546SS..Hα-helixtrans-62.9-39.6174.800000111.9L335 L336 W343L335-A339 PolarHBondContact O-N 3.37Å; L336-A339 PolarHBondContact O-N 2.89Å; A339-W343 WeakPolarHBondContact O-CB 3.17Å; A339-W343 PolarHBondContact O-N 3.04Å
340F84.8Confident79.5Confident125 Ų125105.8 Ų105.855%0.54855%0.554SS.*Hα-helixtrans-64.5-47.2172.8-80.7-66.3000111.8L336 A337 L338 W342 W343 F344L336-F340 WeakPolarHBondContact O-CD2 3.47Å; L336-F340 PolarHBondContact O-N 2.95Å; A337-F340 PolarHBondContact O-N 3.28Å; L338-F340 VanDerWaalsContact C-N 3.33Å; L338-F340 PolarHBondContact O-N 2.94Å; F340-W342 VanDerWaalsContact C-N 3.31Å; F340-W342 PolarHBondContact O-N 2.96Å; F340-W343 WeakPolarHBondContact O-CB 3.29Å; F340-W343 PolarHBondContact O-N 2.95Å; F340-W343 VanDerWaalsContact O-N 3.09Å; F340-F344 HydrophobicContact CB-CD2 4.47Å; F340-F344 HydrophobicContact CD1-CE2 4.01Å; F340-F344 WeakPolarHBondContact O-CD2 3.17Å; F340-F344 PolarHBondContact O-N 3.44Å
341L84.3Confident77.3Confident111 Ų111107.2 Ų107.258%0.58157%0.567SS**Hα-helixtrans-59.7-41.3177.3-73.6169.9000111.9A337 L338 W343 F344 W345A337-L341 WeakPolarHBondContact O-CG 3.34Å; A337-L341 PolarHBondContact O-N 3.19Å; L338-L341 PolarHBondContact O-N 3.25Å; L341-W343 VanDerWaalsContact C-N 3.34Å; L341-W343 PolarHBondContact O-N 2.84Å; L341-F344 PolarHBondContact O-N 3.03Å; L341-W345 WeakPolarHBondContact O-CB 3.44Å; L341-W345 PolarHBondContact O-N 3.49Å
342W81.6Confident75.1Confident221 Ų221108.4 Ų108.484%0.83757%0.574SS**Hα-helixtrans-60.6-43.2173-174.6-68.7000111.9L338 F340 F344 W345L338-W342 WeakPolarHBondContact O-CB 3.27Å; L338-W342 PolarHBondContact O-N 3.49Å; F340-W342 VanDerWaalsContact C-N 3.31Å; F340-W342 PolarHBondContact O-N 2.96Å; W342-F344 VanDerWaalsContact C-N 3.32Å; W342-F344 PolarHBondContact O-N 3.39Å; W342-W345 PolarHBondContact O-N 3.5Å
343W77.2Confident72.9Confident154 Ų154110.1 Ų110.158%0.58358%0.584SS**Hα-helixtrans-63.6-37.2177.8-167.7-68.1000112.4A339 F340 L341 P346 Y469A339-W343 WeakPolarHBondContact O-CB 3.17Å; A339-W343 PolarHBondContact O-N 3.04Å; F340-W343 WeakPolarHBondContact O-CB 3.29Å; F340-W343 PolarHBondContact O-N 2.95Å; F340-W343 VanDerWaalsContact O-N 3.09Å; L341-W343 VanDerWaalsContact C-N 3.34Å; L341-W343 PolarHBondContact O-N 2.84Å; W343-P346 WeakPolarHBondContact O-CD 3.17Å; W343-Y469 HydrophobicContact CZ2-CD2 4.04Å; W343-Y469 HydrophobicContact CZ2-CE2 4.22Å
344F72.9Confident70.5Confident108 Ų108113.9 Ų113.947%0.47460%0.595SS.*Hα-helixtrans-89.9-11.7-179.3-72.1-71.9000114.4F340 L341 W342 P346 L347F340-F344 HydrophobicContact CB-CD2 4.47Å; F340-F344 HydrophobicContact CD1-CE2 4.01Å; F340-F344 WeakPolarHBondContact O-CD2 3.17Å; F340-F344 PolarHBondContact O-N 3.44Å; L341-F344 PolarHBondContact O-N 3.03Å; W342-F344 VanDerWaalsContact C-N 3.32Å; W342-F344 PolarHBondContact O-N 3.39Å; F344-P346 VanDerWaalsContact C-CD 3.41Å; F344-L347 HydrophobicContact CD1-CD1 3.73Å; F344-L347 HydrophobicContact CE1-CD1 4.25Å; F344-L347 WeakPolarHBondContact O-CB 3.35Å; F344-L347 PolarHBondContact O-N 3.32Å
345W64.4Low67.9Low187 Ų187118.2 Ų118.271%0.70861%0.611SS**Hα-helixtrans-54.2-41178-166-84.6000114.6L341 W342 L347L341-W345 WeakPolarHBondContact O-CB 3.44Å; L341-W345 PolarHBondContact O-N 3.49Å; W342-W345 PolarHBondContact O-N 3.5Å; W345-L347 PolarHBondContact O-N 3.38Å
346P62.4Low66Low77 Ų77118.8 Ų118.850%0.562%0.621SS.*Hα-helixtrans-71.3-13.8179.2-15.931.4000114.1W343 F344W343-P346 WeakPolarHBondContact O-CD 3.17Å; F344-P346 VanDerWaalsContact C-CD 3.41Å
347L63.2Low63.9Low79 Ų79120 Ų12041%0.41463%0.634SS.*Hα-helixtrans-87.9-24.5-176.5-87.4165.2000113.6F344 W345 V472F344-L347 HydrophobicContact CD1-CD1 3.73Å; F344-L347 HydrophobicContact CE1-CD1 4.25Å; F344-L347 WeakPolarHBondContact O-CB 3.35Å; F344-L347 PolarHBondContact O-N 3.32Å; W345-L347 PolarHBondContact O-N 3.38Å; L347-V472 HydrophobicContact CD1-CG1 4Å; L347-V472 HydrophobicContact CD2-CB 4.18Å; L347-V472 HydrophobicContact CD2-CG1 3.18Å; L347-V472 HydrophobicContact CD2-CG2 3.98Å; L347-V472 HydrophobicContact CG-CG1 3.84Å
348C57.6Low62.1Low109 Ų109123.3 Ų123.374%0.73665%0.652SS**Hα-helixtrans-97.8-8.7-172.5-68.30000114.5
349C53.8Low60.5Low87 Ų87123.8 Ų123.859%0.58866%0.662SS**  trans-122.451.5-171-64.10000114.6
350T53.9Low58.9Low103 Ų103126.7 Ų126.763%0.63268%0.675SS**  trans-9994161.255.70000109.8
351V46.6Very low57.2Low130 Ų130126.7 Ų126.779%0.78869%0.688SS**  trans-76.6123.3175-179.70000109.2
352V47Very low55.5Low102 Ų102127.6 Ų127.662%0.61870%0.7SS**  trans-94.2111.2-179.7178.20000109.5K354V352-K354 HydrophobicContact CG1-CG 4.42Å
353I46.4Very low53.6Low147 Ų147122.9 Ų122.975%0.75470%0.701SS**PPolyproline II helixtrans-94125.1168.4-57.4172000107.4
354K40.7Very low52Low182 Ų182126.8 Ų126.879%0.79172%0.716SS**PPolyproline II helixtrans-101.7119.5175.9-77.3-172175.9-178.70109.8V352V352-K354 HydrophobicContact CG1-CG 4.42Å
355D40.2Very low50.8Low145 Ų145126.9 Ų126.978%0.77573%0.727SS**PPolyproline II helixtrans-92.4147.2167.8-68.8-33.2000111.5
356P51.5Low50.1Low113 Ų113124 Ų12473%0.73473%0.732SS**PPolyproline II helixtrans-75.3155.5-174.630.4-34.1000113.1
357P48.4Very low49.5Very low120 Ų120126.1 Ų126.178%0.77975%0.747SS**PPolyproline II helixtrans-75.7142.6-170.429.6-34.2000113.6
358P51.8Low48.6Very low121 Ų121128.6 Ų128.679%0.78677%0.767SS**PPolyproline II helixtrans-84.2151178.131.5-32.3000113.7
359P56.3Low47.8Very low120 Ų120132.4 Ų132.478%0.77977%0.774SS**PPolyproline II helixtrans-79.7161-179.731.3-34.3000114.3
360P51.3Low47.4Very low120 Ų120134.3 Ų134.378%0.77979%0.785SS**PPolyproline II helixtrans-79.1153.5-170.330.4-34.4000114.9
361P49.8Very low46.6Very low124 Ų124138.6 Ų138.681%0.80580%0.798SS**PPolyproline II helixtrans-88147.6-173.533.3-34.5000114.9
362P48.9Very low46.3Very low130 Ų130137.7 Ų137.784%0.84480%0.795SS**PPolyproline II helixtrans-92.4170.2169.633.2-30.5000115.3
363S41.6Very low46.2Very low123 Ų123140.2 Ų140.286%0.8680%0.804SS**PPolyproline II helixtrans-73.8161.1-155.147.30000119.1
364R43.8Very low45.8Very low236 Ų236139.4 Ų139.489%0.89181%0.809SS**  trans-104.3140.2-176.4-177.2-170.4-81.7-155.2-2.2112.5
365P46.9Very low45.6Very low110 Ų110139.7 Ų139.771%0.71481%0.81SS**  trans-105.4163.6160.226.2-11.3000113.8
366P50.1Low45.4Very low125 Ų125142.3 Ų142.381%0.81282%0.815SS**  trans-98.7154.9-162.737.7-32.4000114.4
367P49.4Very low44.6Very low123 Ų123146.4 Ų146.480%0.79982%0.821SS**  trans-116.8157.1167.628.5-11.9000115.3
368P44.8Very low43.7Very low130 Ų130152 Ų15284%0.84483%0.827SS**  trans-94175.5-169.838.9-35.8000116
369E40.6Very low43Very low190 Ų190151.9 Ų151.989%0.88883%0.826SS**  trans-49.3150.4-170.8-157.1167.6-150.700119.3
370P46.2Very low42.1Very low126 Ų126151.5 Ų151.582%0.81882%0.821SS**  trans-124.8143.2156.130.2-14.1000115.6
371E35.8Very low41.2Very low193 Ų193152.7 Ų152.790%0.90283%0.826SS**  trans-63.4166.5-178.9-83.6-173.8171.100117.2
372P41.3Very low40.3Very low112 Ų112153.4 Ų153.473%0.72782%0.823SS**  trans-100142.3-153.636.9-32.2000117.2
373L43.4Very low39.7Very low154 Ų154151.3 Ų151.381%0.80682%0.816SS**  trans27.3136.5143.4-66.7166.3000122.2
374P39.8Very low39.7Very low131 Ų131150.4 Ų150.485%0.85181%0.81SS**  trans-102.4138.214632.6-21.3000113
375K36.6Very low39.3Very low188 Ų188149.8 Ų149.882%0.81781%0.81SS**  trans-93.8147.4-172-60.1170.4179.1174.90112.6
376K35.3Very low38.7Very low200 Ų200155.1 Ų155.187%0.8782%0.817SS**  trans-147.396.9147.7-96.6178.8179.2176.60107.8
377K34.8Very low37.9Very low199 Ų199152.8 Ų152.887%0.86582%0.816SS**  58.3101.184.9-79.2-169.4176.9-177.20113.3
378W30.2Very low37.2Very low238 Ų238150.2 Ų150.290%0.90281%0.812SS**  trans-106.2156.8156.1-72.595000109.8
379P37.1Very low36.6Very low118 Ų118156.1 Ų156.177%0.76682%0.817SS**  trans-75.7132.1-164.4-11.928.1000113.4
380T35.3Very low36.5Very low112 Ų112150.7 Ų150.769%0.68781%0.813SS**  trans-76.1134.6164.3-44.50000109.8
381V33.2Very low36.2Very low145 Ų145150.1 Ų150.188%0.87982%0.818SS**  trans-138114.6143.4-178.80000108.9
382D30.5Very low36.9Very low139 Ų139144.6 Ų144.674%0.74381%0.813SS**  trans-72.1146.9167.4-80.8-50.7000111.7
383A37.8Very low36.5Very low85 Ų85142.7 Ų142.770%0.70281%0.814SS**  trans-17498.9131.900000107.1
384S40.8Very low36.5Very low105 Ų105143.5 Ų143.573%0.73482%0.818SS**  51.998.984.576.80000113.1
385Y34.5Very low36.5Very low223 Ų223146.9 Ų146.988%0.87582%0.819SS**  -165.4101.7129.9-135-108.4000111.8
386Y34.7Very low36.7Very low221 Ų221149.5 Ų149.587%0.86782%0.823SS**  trans30.7134.3146.4-89.5-94.4000122.9
387G34.2Very low37Very low76 Ų76146.4 Ų146.478%0.78481%0.814SS**  trans175.663.8151.500000112.8
388G33.6Very low37.5Very low70 Ų70145.6 Ų145.672%0.72281%0.813SS**  trans-64.2141.617100000111.8
389R33.8Very low38.3Very low253 Ų253138.2 Ų138.296%0.95579%0.794SS**  trans-162.8144.6144.6-103.5178.7-157.9-111.54.7108.6
390G37.8Very low39Very low77 Ų77141.8 Ų141.879%0.79480%0.798SS**  trans-77-172.5-161.800000117.2
391A40.1Very low39.3Very low113 Ų113145.1 Ų145.193%0.93480%0.798SS**SBendtrans4976.5172.800000117.1
392G50.6Low39.8Very low78 Ų78140.9 Ų140.980%0.80478%0.784SS**  trans139.4101.216000000114.3
393G33.4Very low40.6Very low72 Ų72144.2 Ų144.274%0.74280%0.795SS**  trans-166.382.3173.100000110
394I43.5Very low41Very low171 Ų171149.7 Ų149.788%0.87780%0.803SS**  73.5106.791.5-58.8165.6000113.5
395K37.8Very low41.3Very low202 Ų202147.5 Ų147.588%0.87880%0.797SS**  trans-116.3138.9167.5-175.2177.2-178.5179.10108.7
396R41.4Very low41.9Very low242 Ų242141.4 Ų141.491%0.91379%0.786SS**  trans-85154.1-177.1-91.4-169.9-170.91723.8114
397M42.5Very low42.7Very low135 Ų135135.3 Ų135.367%0.66577%0.772SS**  trans-105.5144.4-168.9-170.7171.97400111.3V399 E409M397-V399 HydrophobicContact CE-CG2 4.45Å; M397-E409 HydrophobicContact CE-CB 3.94Å; M397-E409 HydrophobicContact CE-CG 3.79Å
398E43.8Very low43.5Very low183 Ų183140.1 Ų140.186%0.85578%0.775SS**  trans-114.6136.4173.9-69.7-179.7172.200109.8
399V48.1Very low44.2Very low83 Ų83142 Ų14250%0.50377%0.765SS.*  trans-134.9127.1172.3-138.70000110.3M397M397-V399 HydrophobicContact CE-CG2 4.45Å
400K51.6Low44.9Very low193 Ų193133.2 Ų133.284%0.83975%0.753SS**PPolyproline II helixtrans-88131.8-173.1-63177.3178.9177.30110.8
401W42.6Very low45.6Very low181 Ų181133.8 Ų133.869%0.68675%0.75SS**PPolyproline II helixtrans-89.8118.5174.9-69.381.3000110.5S406W401-S406 VanDerWaalsContact CZ3-CA 3.49Å
402G43.2Very low46.1Very low57 Ų57137.9 Ų137.959%0.58874%0.741SS**PPolyproline II helixtrans-93.2168164.900000111.5K404G402-K404 CarbonylContact O-C 3.48Å; G402-K404 PolarHBondContact O-N 2.9Å
403E46.7Very low45.7Very low209 Ų209141.7 Ų141.798%0.97774%0.742SS**SBendtrans-62.34.2-173.5-69.9-177.615300116.4
404K46.9Very low46.1Very low200 Ų200145.3 Ų145.387%0.8774%0.74SS**SBendtrans-119.2100.3163.3-72.5-179.1179.91770107.3G402G402-K404 CarbonylContact O-C 3.48Å; G402-K404 PolarHBondContact O-N 2.9Å
405G46.5Very low46.1Very low59 Ų59145.4 Ų145.461%0.60873%0.734SS**  trans-55.7146.8-173.700000114
406S46.9Very low45.7Very low94 Ų94139.9 Ų139.966%0.65773%0.726SS**  trans90.596.1157-1590000116W401W401-S406 VanDerWaalsContact CZ3-CA 3.49Å
407T51.5Low45.3Very low93 Ų93137.1 Ų137.157%0.57172%0.721SS**  trans-106.9156.1150.151.40000111.3E409T407-E409 VanDerWaalsContact C-N 3.3Å; T407-E409 PolarHBondContact O-N 3.14Å
408E51.4Low45Very low178 Ų178138.1 Ų138.183%0.83273%0.729SS**THydrogen-bonded Turntrans-61-1-147.4-82.5162.5123.100119.7
409E47.4Very low44.3Very low109 Ų109134.5 Ų134.551%0.50973%0.73SS.*THydrogen-bonded Turntrans-102.5-3.4-172.9-68.8-63.8137.900114.5M397 T407 A411M397-E409 HydrophobicContact CE-CB 3.94Å; M397-E409 HydrophobicContact CE-CG 3.79Å; T407-E409 VanDerWaalsContact C-N 3.3Å; T407-E409 PolarHBondContact O-N 3.14Å; E409-A411 VanDerWaalsContact C-N 3.26Å; E409-A411 PolarHBondContact O-N 3.41Å
410G49.7Very low43.6Very low69 Ų69139.9 Ų139.971%0.71175%0.746SS**THydrogen-bonded Turntrans-80.10.8173.600000115
411A52Low42.6Very low88 Ų88136.3 Ų136.373%0.72774%0.741SS**THydrogen-bonded Turntrans-100.98.4-177.200000114.2E409E409-A411 VanDerWaalsContact C-N 3.26Å; E409-A411 PolarHBondContact O-N 3.41Å
412R49.6Very low42.3Very low199 Ų199132.5 Ų132.575%0.75174%0.741SS**SBendtrans-127.3103.5179.9-80.8-179.6166.6160.9-3.5113.2
413L43.5Very low42Very low158 Ų158136.5 Ų136.583%0.82775%0.754SS**  trans75.290.4144.9-64.7152.9000115.4
414E42Very low41.7Very low149 Ų149132.3 Ų132.370%0.69675%0.745SS**  59.610579.7-68.4-123.6153.900115
415K42.4Very low41.1Very low173 Ų173131.4 Ų131.475%0.75274%0.744SS**  trans57.7114.6137.7-64.8174.4-172.2132.10118.3
416A30.3Very low40.6Very low85 Ų85136.4 Ų136.470%0.70276%0.757SS**  -177.4114.9109.700000109.2
417K33.3Very low40.1Very low185 Ų185138.2 Ų138.280%0.80476%0.763SS**  86.2109.5100.8-75.7179.6175.9178.10113
418N35.8Very low39.4Very low156 Ų156142.8 Ų142.883%0.83478%0.778SS**  trans79.576.6137.1-49.7-14.8000117.5
419A29.5Very low38.6Very low106 Ų106142.8 Ų142.888%0.87678%0.778SS**  trans-122.6107.8143.500000108.3
420K32.8Very low38.2Very low197 Ų197142.4 Ų142.486%0.85779%0.785SS**  trans-83.7134.2168.2-155.8176-175.9-177.30104.4
421V30.1Very low37.3Very low118 Ų118148.3 Ų148.372%0.71580%0.797SS**  -179127.793.6156.50000110
422S36.8Very low36.7Very low100 Ų100151.7 Ų151.770%0.69980%0.801SS**  trans38.5131.4146.672.10000123.4
423V36.5Very low36.1Very low141 Ų141151.2 Ų151.286%0.85580%0.804SS**  trans-135.7144.5137.5179.20000107.7
424P41.4Very low35.8Very low121 Ų121155.4 Ų155.479%0.78681%0.809SS**  trans-78164.4-152.8-13.830.2000116.7
425E34.3Very low35.6Very low181 Ų181154.1 Ų154.185%0.84681%0.814SS**  trans-55.3124.4177.3-70.1166.8133.800113.7
426D35.1Very low35.7Very low165 Ų165156.9 Ų156.988%0.88282%0.819SS**  trans-111.7130.4143.1-82.5-40.2000107.5E428D426-E428 PolarHBondContact O-N 3.15Å
427V35.7Very low36.2Very low131 Ų131159.2 Ų159.279%0.79483%0.827SS**  trans-69.5109-170.7176.20000110.5
428E36.9Very low36.6Very low190 Ų190159.7 Ų159.789%0.88883%0.829SS**PPolyproline II helixtrans-92.8119.8159.9-90.3-177.4156.700109.7D426D426-E428 PolarHBondContact O-N 3.15Å
429E34.6Very low36.9Very low178 Ų178158.3 Ų158.383%0.83283%0.829SS**PPolyproline II helixtrans-102.3154.5159.5-91.2-166.6179.900110.2
430P38.9Very low37.4Very low101 Ų101158 Ų15866%0.65683%0.826SS**PPolyproline II helix-97.4144.3-116.833.1-37.1000116I432P430-I432 PolarHBondContact O-N 2.94Å; P430-I432 VanDerWaalsContact O-N 3.11Å
431M32.3Very low37.5Very low193 Ų193153.8 Ų153.895%0.95182%0.822SS**  trans-67.9102.6163.6-75.1-177.27200111
432I38.1Very low38.2Very low158 Ų158155.3 Ų155.381%0.8183%0.826SS**PPolyproline II helixtrans-70.6129.2172.5-63.4169.5000109.9P430P430-I432 PolarHBondContact O-N 2.94Å; P430-I432 VanDerWaalsContact O-N 3.11Å
433K37Very low38.2Very low190 Ų190157.9 Ų157.983%0.82683%0.832SS**PPolyproline II helixtrans-49.2132.1172.7-72.2174.7175.9174.70112.2P435K433-P435 WeakPolarHBondContact O-CD 3.49Å
434R37Very low38.2Very low245 Ų245162.1 Ų162.193%0.92583%0.832SS**PPolyproline II helixtrans-55.5124.7167.3-99.2-178.8177.3176.2-0.2111.2
435P38.8Very low38.3Very low123 Ų123164.8 Ų164.880%0.79983%0.834SS**PPolyproline II helixtrans-79.8148.8168-7.224.8000111.6K433K433-P435 WeakPolarHBondContact O-CD 3.49Å
436R45.1Very low39Very low231 Ų231160.9 Ų160.987%0.87283%0.833SS**PPolyproline II helixtrans-64.3150.9168.7-72.2179.2178.5-177.8-1.2111.3K438R436-K438 PolarHBondContact O-N 2.83Å
437P40.6Very low39.6Very low133 Ų133158.2 Ų158.286%0.86482%0.815SS**PPolyproline II helixtrans-67.9132-176.727-32.3000111.6
438K41.3Very low40.3Very low195 Ų195158.6 Ų158.685%0.84881%0.813SS**PPolyproline II helixtrans-99.4149.6166.2-79.8-176.1178.6179.50109.5R436R436-K438 PolarHBondContact O-N 2.83Å
439P42.5Very low41Very low128 Ų128158.7 Ų158.783%0.83181%0.81SS**PPolyproline II helixtrans-66151.3-176.227.9-34000112S441P439-S441 PolarHBondContact O-N 3.1Å
440A39.1Very low41.5Very low99 Ų99161.1 Ų161.182%0.81881%0.812SS**PPolyproline II helixtrans-53.8129.6-172.400000113.4N442A440-N442 PolarHBondContact O-N 3.27Å
441S35.2Very low41.8Very low109 Ų109162.6 Ų162.676%0.76281%0.805SS**  trans-77.3114.3168.662.30000110P439 N443P439-S441 PolarHBondContact O-N 3.1Å; S441-N443 PolarHBondContact O-N 3.36Å; S441-N443 VanDerWaalsContact O-N 3.1Å
442N44.3Very low42.8Very low149 Ų149156.5 Ų156.580%0.79778%0.779SS**  trans-71.193.8163.6-88.6-25.8000109.3A440A440-N442 PolarHBondContact O-N 3.27Å
443N37.3Very low43.7Very low155 Ų155153 Ų15383%0.82977%0.767SS**  trans-111.582.7162.1-124.65.6000108.4S441 Q445S441-N443 PolarHBondContact O-N 3.36Å; S441-N443 VanDerWaalsContact O-N 3.1Å; N443-Q445 PolarHBondContact O-N 3.48Å
444R37.3Very low44.7Very low229 Ų229148.4 Ų148.486%0.86475%0.75SS**  trans-73.498.3165.3-74.8-178.7174173.2-2.1107A446R444-A446 PolarHBondContact O-N 3.13Å
445Q43.2Very low45.6Very low178 Ų178139.9 Ų139.983%0.83272%0.72SS**  trans-57.1124.3152.4-83.3177.7-33.600106.7N443 E447N443-Q445 PolarHBondContact O-N 3.48Å; Q445-E447 PolarHBondContact O-N 2.96Å
446A48.5Very low47Very low99 Ų99136.1 Ų136.182%0.81870%0.703SS**  trans-70.283.5176.100000108.6R444R444-A446 PolarHBondContact O-N 3.13Å
447E47Very low48.1Very low109 Ų109134.7 Ų134.751%0.50970%0.698SS.*  trans-69.2127.5163.7-75.5-167.8143.600108.8Q445 K449 K455Q445-E447 PolarHBondContact O-N 2.96Å; E447-K449 PolarHBondContact O-N 3.35Å; E447-K449 VanDerWaalsContact O-N 3.1Å; E447-K455 IonicContact OE1-NZ 2.66Å; E447-K455 PolarHBondContact OE1-NZ 3.33Å
448N51.4Low49.6Very low139 Ų139132.3 Ų132.374%0.74368%0.677SS**  trans-54.2115.1176.5-70.3-21.9000110W450 Y451N448-W450 PolarHBondContact O-N 3.48Å; N448-Y451 PolarHBondContact O-N 2.84Å
449K51Low50.9Low192 Ų192127.1 Ų127.184%0.83566%0.659SS**THydrogen-bonded Turntrans-65-0.8-168.8-70.7-178.6179177.20115.9E447 T452E447-K449 PolarHBondContact O-N 3.35Å; E447-K449 VanDerWaalsContact O-N 3.1Å; K449-T452 PolarHBondContact O-OG1 2.83Å
450W46.3Very low52.4Low228 Ų228123.7 Ų123.786%0.86464%0.641SS**THydrogen-bonded Turntrans-83-25.2175.7-167.152.4000113N448N448-W450 PolarHBondContact O-N 3.48Å
451Y44Very low54Low132 Ų132123.9 Ų123.952%0.51863%0.628SS.*SBendtrans-93.2-5.3-174.4-158.3-109.5000113.5N448 K455N448-Y451 PolarHBondContact O-N 2.84Å; Y451-K455 HydrophobicContact CD1-CB 3.59Å; Y451-K455 HydrophobicContact CD1-CD 3.83Å; Y451-K455 HydrophobicContact CD1-CG 4.07Å; Y451-K455 HydrophobicContact CE1-CB 3.7Å; Y451-K455 HydrophobicContact CE1-CD 4.01Å; Y451-K455 HydrophobicContact CE1-CG 3.95Å; Y451-K455 WeakPolarHBondContact O-CB 3.43Å; Y451-K455 PolarHBondContact O-N 3.09Å
452T54.8Low55.5Low65 Ų65125 Ų12540%0.39962%0.616SS.*Hα-helixtrans-73.6-36.6-168.758.60000116.2K449 G456K449-T452 PolarHBondContact O-OG1 2.83Å; T452-G456 PolarHBondContact O-N 2.95Å
453P56.7Low56.8Low84 Ų84120.4 Ų120.455%0.54560%0.598SS.*Hα-helixtrans-75.1-28.9176.927.2-30.4000112.1R457P453-R457 WeakPolarHBondContact O-CG 3.25Å; P453-R457 PolarHBondContact O-N 2.6Å
454I57.3Low58.4Low94 Ų94118.3 Ų118.348%0.48259%0.586SS.*Hα-helixtrans-80.1-44.4179.1-57171000109.9R457 L458I454-R457 PolarHBondContact O-N 2.95Å; I454-L458 HydrophobicContact CG2-CD1 3.86Å; I454-L458 HydrophobicContact CG2-CG 4.46Å; I454-L458 WeakPolarHBondContact O-CB 3.45Å; I454-L458 WeakPolarHBondContact O-CG 3.23Å; I454-L458 PolarHBondContact O-N 2.79Å
455K56.5Low59.9Low67 Ų67112.5 Ų112.529%0.29157%0.572SS.*Hα-helixtrans-62.8-43.5175.2-169.4176.7176.8-179.80112.3E447 Y451 R457 L458 D459E447-K455 IonicContact OE1-NZ 2.66Å; E447-K455 PolarHBondContact OE1-NZ 3.33Å; Y451-K455 HydrophobicContact CD1-CB 3.59Å; Y451-K455 HydrophobicContact CD1-CD 3.83Å; Y451-K455 HydrophobicContact CD1-CG 4.07Å; Y451-K455 HydrophobicContact CE1-CB 3.7Å; Y451-K455 HydrophobicContact CE1-CD 4.01Å; Y451-K455 HydrophobicContact CE1-CG 3.95Å; Y451-K455 WeakPolarHBondContact O-CB 3.43Å; Y451-K455 PolarHBondContact O-N 3.09Å; K455-R457 VanDerWaalsContact C-N 3.3Å; K455-R457 PolarHBondContact O-N 2.89Å; K455-L458 PolarHBondContact O-N 3.1Å; K455-D459 VanDerWaalsContact O-CB 3.27Å; K455-D459 WeakPolarHBondContact O-CB 3.26Å; K455-D459 PolarHBondContact O-N 2.83Å
456G67.1Low61Low43 Ų43111 Ų11144%0.44356%0.559SS.*Hα-helixtrans-63-35.4178.200000113.3T452 A460T452-G456 PolarHBondContact O-N 2.95Å; G456-A460 VanDerWaalsContact O-CB 3.31Å; G456-A460 WeakPolarHBondContact O-CB 3.27Å; G456-A460 PolarHBondContact O-N 3.19Å
457R69.4Low61.7Low201 Ų201115.5 Ų115.576%0.75855%0.554SS**Hα-helixtrans-76-37.9175.4-71.9-170.1179.8-152.92.3112.7P453 I454 K455 A460 L461P453-R457 WeakPolarHBondContact O-CG 3.25Å; P453-R457 PolarHBondContact O-N 2.6Å; I454-R457 PolarHBondContact O-N 2.95Å; K455-R457 VanDerWaalsContact C-N 3.3Å; K455-R457 PolarHBondContact O-N 2.89Å; R457-A460 PolarHBondContact O-N 3.45Å; R457-L461 WeakPolarHBondContact O-CB 3.41Å; R457-L461 PolarHBondContact O-N 3.26Å
458L72.4Confident62.2Low84 Ų84116.1 Ų116.144%0.4456%0.557SS.*Hα-helixtrans-66.7-41.2173.6-76.4169.8000111.8I454 K455 A460 L461 W462I454-L458 HydrophobicContact CG2-CD1 3.86Å; I454-L458 HydrophobicContact CG2-CG 4.46Å; I454-L458 WeakPolarHBondContact O-CB 3.45Å; I454-L458 WeakPolarHBondContact O-CG 3.23Å; I454-L458 PolarHBondContact O-N 2.79Å; K455-L458 PolarHBondContact O-N 3.1Å; L458-A460 VanDerWaalsContact C-N 3.35Å; L458-L461 WeakPolarHBondContact O-CB 3.07Å; L458-L461 PolarHBondContact O-N 3.02Å; L458-W462 WeakPolarHBondContact O-CB 3.38Å; L458-W462 PolarHBondContact O-N 3.19Å
459D68Low62.8Low86 Ų86114.8 Ų114.846%0.4654%0.543SS..Hα-helixtrans-67.8-34.8176-77.9-19.5000111.5K455 W462 A463K455-D459 VanDerWaalsContact O-CB 3.27Å; K455-D459 WeakPolarHBondContact O-CB 3.26Å; K455-D459 PolarHBondContact O-N 2.83Å; D459-W462 PolarHBondContact O-N 2.91Å; D459-A463 WeakPolarHBondContact O-CB 3.47Å; D459-A463 PolarHBondContact O-N 3.17Å
460A73.6Confident63Low55 Ų55109.9 Ų109.946%0.45553%0.526SS..Hα-helixtrans-66.6-40.7171.700000112.2G456 R457 L458 A463 L464G456-A460 VanDerWaalsContact O-CB 3.31Å; G456-A460 WeakPolarHBondContact O-CB 3.27Å; G456-A460 PolarHBondContact O-N 3.19Å; R457-A460 PolarHBondContact O-N 3.45Å; L458-A460 VanDerWaalsContact C-N 3.35Å; A460-A463 PolarHBondContact O-N 3.38Å; A460-L464 PolarHBondContact O-N 2.97Å
461L71.7Confident63.6Low104 Ų104108.5 Ų108.555%0.54552%0.52SS..Hα-helixtrans-64-44172.4-100.6157.8000111.7R457 L458 A463 L464 L465R457-L461 WeakPolarHBondContact O-CB 3.41Å; R457-L461 PolarHBondContact O-N 3.26Å; L458-L461 WeakPolarHBondContact O-CB 3.07Å; L458-L461 PolarHBondContact O-N 3.02Å; L461-A463 VanDerWaalsContact C-N 3.34Å; L461-A463 PolarHBondContact O-N 3.18Å; L461-L464 PolarHBondContact O-N 3.26Å; L461-L465 WeakPolarHBondContact O-CB 2.79Å; L461-L465 WeakPolarHBondContact O-CG 3.4Å; L461-L465 PolarHBondContact O-N 3.04Å
462W67.2Low64Low132 Ų132104.5 Ų104.550%0.551%0.51SS..Hα-helixtrans-64.2-38.6175.4-123.2113.2000111.4L458 D459 L465 R466L458-W462 WeakPolarHBondContact O-CB 3.38Å; L458-W462 PolarHBondContact O-N 3.19Å; D459-W462 PolarHBondContact O-N 2.91Å; W462-L465 PolarHBondContact O-N 3.3Å; W462-R466 HydrophobicContact CE3-CG 3.59Å; W462-R466 HydrophobicContact CZ3-CG 3.51Å; W462-R466 WeakPolarHBondContact O-CB 3.33Å; W462-R466 PolarHBondContact O-N 3.09Å
463A71.9Confident63.7Low52 Ų52103.8 Ų103.843%0.4351%0.507SS..Hα-helixtrans-67.3-36.2175.600000112.3D459 A460 L461 R467D459-A463 WeakPolarHBondContact O-CB 3.47Å; D459-A463 PolarHBondContact O-N 3.17Å; A460-A463 PolarHBondContact O-N 3.38Å; L461-A463 VanDerWaalsContact C-N 3.34Å; L461-A463 PolarHBondContact O-N 3.18Å; A463-R467 WeakPolarHBondContact O-CB 3.5Å; A463-R467 PolarHBondContact O-N 3.04Å
464L70.8Confident63.4Low111 Ų111107.1 Ų107.158%0.58152%0.52SS*.Hα-helixtrans-66.5-44172-99.5157.2000111.7A460 L461 R467 Q468A460-L464 PolarHBondContact O-N 2.97Å; L461-L464 PolarHBondContact O-N 3.26Å; L464-R467 PolarHBondContact O-N 2.92Å; L464-Q468 WeakPolarHBondContact O-CB 3.36Å; L464-Q468 WeakPolarHBondContact O-CG 3.34Å; L464-Q468 PolarHBondContact O-N 2.64Å
465L68.3Low63.1Low108 Ų108110.3 Ų110.357%0.56553%0.534SS*.Hα-helixtrans-64.5-40.8175.3-75.6165.1000111.9L461 W462 Q468 Y469L461-L465 WeakPolarHBondContact O-CB 2.79Å; L461-L465 WeakPolarHBondContact O-CG 3.4Å; L461-L465 PolarHBondContact O-N 3.04Å; W462-L465 PolarHBondContact O-N 3.3Å; L465-Q468 PolarHBondContact O-N 3.23Å; L465-Y469 VanDerWaalsContact O-CB 3.24Å; L465-Y469 WeakPolarHBondContact O-CB 3.03Å; L465-Y469 PolarHBondContact O-N 3.14Å
466R66.4Low62.6Low145 Ų145115.5 Ų115.555%0.54755%0.552SS.*Hα-helixtrans-64-42.2171.7-87.3175.4-160.6168.57112.4W462 Q468 Y469 D470W462-R466 HydrophobicContact CE3-CG 3.59Å; W462-R466 HydrophobicContact CZ3-CG 3.51Å; W462-R466 WeakPolarHBondContact O-CB 3.33Å; W462-R466 PolarHBondContact O-N 3.09Å; R466-Q468 VanDerWaalsContact C-N 3.32Å; R466-Q468 PolarHBondContact O-N 3.44Å; R466-Y469 CarbonylContact O-C 3.54Å; R466-Y469 PolarHBondContact O-N 3.45Å; R466-D470 WeakPolarHBondContact O-CB 3.49Å; R466-D470 PolarHBondContact O-N 3.19Å
467R63.6Low61.8Low194 Ų194117.3 Ų117.373%0.73256%0.556SS**Hα-helixtrans-65.1-36176.8-90.4-179167.4172.4-2.3112.9A463 L464 R471A463-R467 WeakPolarHBondContact O-CB 3.5Å; A463-R467 PolarHBondContact O-N 3.04Å; L464-R467 PolarHBondContact O-N 2.92Å; R467-R471 WeakPolarHBondContact O-CB 3.36Å; R467-R471 WeakPolarHBondContact O-CG 3.31Å; R467-R471 PolarHBondContact O-N 2.95Å; R467-R471 VanDerWaalsContact O-N 3.17Å
468Q58.8Low61.1Low122 Ų122112.1 Ų112.157%0.5755%0.547SS*.Hα-helixtrans-68.1-45.5171.2-79.3-84.1-14.600110.6L464 L465 R466 R471 V472L464-Q468 WeakPolarHBondContact O-CB 3.36Å; L464-Q468 WeakPolarHBondContact O-CG 3.34Å; L464-Q468 PolarHBondContact O-N 2.64Å; L465-Q468 PolarHBondContact O-N 3.23Å; R466-Q468 VanDerWaalsContact C-N 3.32Å; R466-Q468 PolarHBondContact O-N 3.44Å; Q468-R471 PolarHBondContact O-N 3.06Å; Q468-V472 WeakPolarHBondContact O-CB 3.43Å; Q468-V472 VanDerWaalsContact O-CG2 3.25Å; Q468-V472 WeakPolarHBondContact O-CG2 3.35Å; Q468-V472 PolarHBondContact O-N 3.09Å
469Y62.1Low60.1Low111 Ų111114.5 Ų114.544%0.43557%0.571SS.*Hα-helixtrans-60.4-44.9176.8-173.9-91.9000112.2W343 L465 R466 V472 S473W343-Y469 HydrophobicContact CZ2-CD2 4.04Å; W343-Y469 HydrophobicContact CZ2-CE2 4.22Å; L465-Y469 VanDerWaalsContact O-CB 3.24Å; L465-Y469 WeakPolarHBondContact O-CB 3.03Å; L465-Y469 PolarHBondContact O-N 3.14Å; R466-Y469 CarbonylContact O-C 3.54Å; R466-Y469 PolarHBondContact O-N 3.45Å; Y469-V472 CarbonylContact O-C 3.57Å; Y469-V472 WeakPolarHBondContact O-CB 3.17Å; Y469-V472 PolarHBondContact O-N 3.29Å; Y469-V472 VanDerWaalsContact O-N 3.16Å; Y469-S473 VanDerWaalsContact O-CB 3.24Å; Y469-S473 WeakPolarHBondContact O-CB 3.33Å; Y469-S473 PolarHBondContact O-N 3.24Å; Y469-S473 PolarHBondContact O-OG 3.09Å
470D56.1Low59.3Low90 Ų90114.6 Ų114.648%0.48158%0.583SS.*Hα-helixtrans-69.1-35.3179.3-75.3-19000112.2R466 V472 S473 L474R466-D470 WeakPolarHBondContact O-CB 3.49Å; R466-D470 PolarHBondContact O-N 3.19Å; D470-V472 VanDerWaalsContact C-N 3.27Å; D470-V472 PolarHBondContact O-N 2.71Å; D470-S473 WeakPolarHBondContact CA-OG 3.45Å; D470-S473 PolarHBondContact O-OG 3.25Å; D470-L474 WeakPolarHBondContact O-CG 3.42Å; D470-L474 PolarHBondContact O-N 2.68Å
471R59.4Low58.3Low199 Ų199117 Ų11775%0.75159%0.589SS**Hα-helixtrans-66-32.2171.3-85.8-170.8168.7-169.8-1.7112.4R467 Q468R467-R471 WeakPolarHBondContact O-CB 3.36Å; R467-R471 WeakPolarHBondContact O-CG 3.31Å; R467-R471 PolarHBondContact O-N 2.95Å; R467-R471 VanDerWaalsContact O-N 3.17Å; Q468-R471 PolarHBondContact O-N 3.06Å
472V52.2Low56.8Low48 Ų48121.3 Ų121.329%0.29161%0.606SS.*Hα-helixtrans-83.1-37178.3160.90000111.9L347 Q468 Y469 D470 L474 M475L347-V472 HydrophobicContact CD1-CG1 4Å; L347-V472 HydrophobicContact CD2-CB 4.18Å; L347-V472 HydrophobicContact CD2-CG1 3.18Å; L347-V472 HydrophobicContact CD2-CG2 3.98Å; L347-V472 HydrophobicContact CG-CG1 3.84Å; Q468-V472 WeakPolarHBondContact O-CB 3.43Å; Q468-V472 VanDerWaalsContact O-CG2 3.25Å; Q468-V472 WeakPolarHBondContact O-CG2 3.35Å; Q468-V472 PolarHBondContact O-N 3.09Å; Y469-V472 CarbonylContact O-C 3.57Å; Y469-V472 WeakPolarHBondContact O-CB 3.17Å; Y469-V472 PolarHBondContact O-N 3.29Å; Y469-V472 VanDerWaalsContact O-N 3.16Å; D470-V472 VanDerWaalsContact C-N 3.27Å; D470-V472 PolarHBondContact O-N 2.71Å; V472-L474 VanDerWaalsContact C-N 3.33Å; V472-L474 PolarHBondContact O-N 3.21Å; V472-M475 WeakPolarHBondContact O-CB 3.25Å; V472-M475 PolarHBondContact O-N 3.32Å
473S48.1Very low56Low49 Ų49118.7 Ų118.734%0.34362%0.62SS.*Hα-helixtrans-76.7-21.2-174.767.80000112.7Y469 D470 M475 R476Y469-S473 VanDerWaalsContact O-CB 3.24Å; Y469-S473 WeakPolarHBondContact O-CB 3.33Å; Y469-S473 PolarHBondContact O-N 3.24Å; Y469-S473 PolarHBondContact O-OG 3.09Å; D470-S473 WeakPolarHBondContact CA-OG 3.45Å; D470-S473 PolarHBondContact O-OG 3.25Å; S473-M475 PolarHBondContact O-N 3.42Å; S473-R476 PolarHBondContact O-N 3.27Å
474L51.3Low54.7Low155 Ų155127.7 Ų127.781%0.81264%0.643SS**THydrogen-bonded Turntrans-68.2-10165.5-78.7165.4000113.2D470 V472D470-L474 WeakPolarHBondContact O-CG 3.42Å; D470-L474 PolarHBondContact O-N 2.68Å; V472-L474 VanDerWaalsContact C-N 3.33Å; V472-L474 PolarHBondContact O-N 3.21Å
475M49.7Very low53.4Low161 Ų161127.7 Ų127.779%0.79365%0.651SS**THydrogen-bonded Turntrans-104.69.9175.6-61.3-154.2178.200113.9V472 S473 P477V472-M475 WeakPolarHBondContact O-CB 3.25Å; V472-M475 PolarHBondContact O-N 3.32Å; S473-M475 PolarHBondContact O-N 3.42Å; M475-P477 WeakPolarHBondContact O-CD 3.41Å
476R46.1Very low52.3Low175 Ų175127.4 Ų127.466%0.6665%0.653SS**  trans-80.9115.5172.5-176.8178.4-101.8173.2-5.6108.8S473 T478S473-R476 PolarHBondContact O-N 3.27Å; R476-T478 PolarHBondContact O-N 3.37Å
477P51.6Low50.8Low81 Ų81127.7 Ų127.753%0.52667%0.666SS.*  trans-64.2125.4171.14.94.2000108.3M475 D481M475-P477 WeakPolarHBondContact O-CD 3.41Å; P477-D481 HydrophobicContact CB-CB 4.37Å
478T54.3Low49.6Very low92 Ų92126.6 Ų126.656%0.56467%0.667SS**  trans-62.2150.6163.720.40000108.9R476 A480 D481R476-T478 PolarHBondContact O-N 3.37Å; T478-A480 PolarHBondContact O-N 2.84Å; T478-D481 PolarHBondContact O-N 3.48Å; T478-D481 PolarHBondContact OG1-OD2 2.95Å
479S50.3Low48.5Very low135 Ų135128.2 Ų128.294%0.94468%0.679SS**THydrogen-bonded Turntrans-58.8-7.6-178.954.20000114.4
480A52.3Low47.3Very low88 Ų88134.6 Ų134.673%0.72770%0.702SS**THydrogen-bonded Turntrans-87.4-14172.700000114.3T478 Q482T478-A480 PolarHBondContact O-N 2.84Å; A480-Q482 PolarHBondContact O-N 3.42Å
481D52.3Low46.3Very low106 Ų106136.6 Ų136.657%0.56772%0.717SS**  trans-102.876.5-176-68.4-45.3000111.4P477 T478P477-D481 HydrophobicContact CB-CB 4.37Å; T478-D481 PolarHBondContact O-N 3.48Å; T478-D481 PolarHBondContact OG1-OD2 2.95Å
482Q40.1Very low45.2Very low194 Ų194132.7 Ų132.791%0.90772%0.718SS**  trans-97.5121.8159.1-74.6-172.9-1600109.3A480A480-Q482 PolarHBondContact O-N 3.42Å
483G51Low44.4Very low77 Ų77139.4 Ų139.479%0.79475%0.746SS**SBendtrans106.327.8157.100000119.5
484R44.2Very low43.7Very low241 Ų241146.1 Ų146.191%0.90977%0.772SS**  trans-130.9112.1169.4-65.2-172.4-161.8-159.95.1113.5
485C43Very low43.1Very low111 Ų111145.3 Ų145.375%0.7577%0.773SS**  trans-75.9120.5165-70.50000109.4
486V44.9Very low42.4Very low102 Ų102143 Ų14362%0.61877%0.772SS**  trans-90115.5174.3-167.80000108.9F488V486-F488 HydrophobicContact CB-CD2 4.5Å; V486-F488 HydrophobicContact CB-CE2 3.85Å; V486-F488 HydrophobicContact CB-CZ 4.12Å; V486-F488 HydrophobicContact CG1-CD1 4.31Å; V486-F488 HydrophobicContact CG1-CD2 4.03Å; V486-F488 HydrophobicContact CG1-CE1 3.74Å; V486-F488 HydrophobicContact CG1-CE2 3.41Å; V486-F488 VanDerWaalsContact CG1-CE2 3.41Å; V486-F488 HydrophobicContact CG1-CG 4.45Å; V486-F488 HydrophobicContact CG1-CZ 3.26Å
487N35.3Very low41.8Very low151 Ų151146 Ų14681%0.80778%0.784SS**  trans-96.6120.9176.8-155.14.2000109
488F39.4Very low41.2Very low171 Ų171148.9 Ų148.975%0.7580%0.8SS**  trans-109.7109.6-178.6-67.5-77000110.9V486V486-F488 HydrophobicContact CB-CD2 4.5Å; V486-F488 HydrophobicContact CB-CE2 3.85Å; V486-F488 HydrophobicContact CB-CZ 4.12Å; V486-F488 HydrophobicContact CG1-CD1 4.31Å; V486-F488 HydrophobicContact CG1-CD2 4.03Å; V486-F488 HydrophobicContact CG1-CE1 3.74Å; V486-F488 HydrophobicContact CG1-CE2 3.41Å; V486-F488 VanDerWaalsContact CG1-CE2 3.41Å; V486-F488 HydrophobicContact CG1-CG 4.45Å; V486-F488 HydrophobicContact CG1-CZ 3.26Å
489N35Very low40.4Very low155 Ų155150.6 Ų150.683%0.82981%0.811SS**PPolyproline II helixtrans-84.6124.6162.6-85.2-10000109.5
490R36.8Very low39.6Very low245 Ų245154.6 Ų154.693%0.92583%0.829SS**PPolyproline II helixtrans-74.6123.8172.1-80.3-179174.8165.6-0.5109.8
491V34.5Very low38.9Very low132 Ų132157.9 Ų157.980%0.883%0.834SS**PPolyproline II helixtrans-85128.3166.3-173.40000108.4
492P37.4Very low38.2Very low118 Ų118160.6 Ų160.677%0.76685%0.848SS**PPolyproline II helixtrans-76.2135.6177.625.6-26.2000111.8
493H34.7Very low38.1Very low189 Ų189158.8 Ų158.888%0.87585%0.845SS**PPolyproline II helixtrans-72.6124.1177.7-116.5-81.2000111
494Q34Very low37.4Very low189 Ų189163.6 Ų163.688%0.88385%0.848SS**PPolyproline II helixtrans-77.7135167.2-87.6-175.7-29.900110.9
495V39Very low36.9Very low138 Ų138158.8 Ų158.884%0.83684%0.844SS**PPolyproline II helixtrans-95122178.4176.90000109
496S34.9Very low36.5Very low112 Ų112161.9 Ų161.978%0.78385%0.85SS**  trans-104.1116.5167.842.70000110.5
497R32.9Very low35.9Very low239 Ų239166.2 Ų166.290%0.90287%0.867SS**PPolyproline II helixtrans-66.1139171.5-84174.7168.3163.8-4.7110.7
498T38.8Very low36Very low141 Ų141167.4 Ų167.487%0.86587%0.871SS**PPolyproline II helixtrans-100.7123.9165.4-30.40000108.2
499T37.5Very low35.7Very low129 Ų129167.1 Ų167.179%0.79188%0.881SS**PPolyproline II helixtrans-94.4119164.840.20000109
500V32.9Very low35.8Very low218 Ų218168.2 Ų168.2100%1.32189%0.886SS**  -138.80112.9175.40000106.3

Retrieved 500 of 500 residues in 3062.6 ms (Link to these results)