A0A087YCA3_POEFO Loading...

Nuclear pore complex protein Nup50

Component of the nuclear pore complex that has a direct role in nuclear protein import. Actively displaces NLSs from importin-alpha, and facilitates disassembly of the importin-alpha:beta-cargo complex and importin recycling. Interacts with regulatory proteins of cell cycle progression including CDKN1B. This interaction is required for correct intracellular transport and degradation of CDKN1B.

AlphaFold DB , UniProt , Accession A0A087YCA3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 449 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
1M46.1Very low71.5Confident242 Ų242148.4 Ų148.4100%1.19276%0.76SS**  0133.30-67.9169.4175.900107.5
2A62.3Low72.4Confident101 Ų101148.6 Ų148.684%0.83576%0.764SS**PPolyproline II helixtrans-68.2136.6164.400000108.4
3K72.2Confident73.1Confident199 Ų199154.5 Ų154.587%0.86577%0.771SS**PPolyproline II helixtrans-73.7136.3166.1-64.6179.5179.7-179.90106.9
4R70.9Confident73.4Confident246 Ų246145.1 Ų145.193%0.92873%0.725SS**PPolyproline II helixtrans-66.8141165.4-58.6-174.4-160.8160.84.7107.7
5I77.3Confident74Confident141 Ų141146.6 Ų146.672%0.72372%0.719SS**PPolyproline II helixtrans-92.5161.9170.6-58.5169.1000106.2
6A73.8Confident74.5Confident71 Ų71144.7 Ų144.759%0.58771%0.712SS**PPolyproline II helixtrans-73.8138.3171.100000109.8K8A6-K8 VanDerWaalsContact C-N 3.28Å; A6-K8 PolarHBondContact O-N 3.18Å
7D72.1Confident74.8Confident176 Ų176143.1 Ų143.194%0.94170%0.703SS**SBendtrans-77.9-13.9-175.7-56.3-77000113.1
8K75.4Confident74.5Confident95 Ų95145.5 Ų145.541%0.41371%0.712SS.*SBendtrans-136.2128.1175.2-169.3177.2-179.7-175.70109.9A6A6-K8 VanDerWaalsContact C-N 3.28Å; A6-K8 PolarHBondContact O-N 3.18Å
9E74.6Confident74.2Confident147 Ų147145.5 Ų145.569%0.68771%0.711SS**  trans-93.2121.5176.9-69.3-166.2155.900111.6N14E9-N14 PolarHBondContact O-ND2 2.58Å; E9-N14 VanDerWaalsContact O-ND2 3.11Å
10L80.5Confident73.9Confident138 Ų138147.3 Ų147.372%0.72372%0.717SS**  trans-78.2124.1172.5-162.872.5000109.3
11T81.6Confident73.3Confident76 Ų76143.5 Ų143.547%0.46672%0.717SS.*  trans-134.4165.3-177.453.90000110.7R13 N14 W15T11-R13 PolarHBondContact O-N 3.31Å; T11-N14 CarbonylContact O-C 3.57Å; T11-N14 WeakPolarHBondContact O-CA 3.28Å; T11-N14 PolarHBondContact O-N 3.23Å; T11-N14 WeakPolarHBondContact OG1-CB 2.82Å; T11-W15 PolarHBondContact O-N 3.37Å; T11-W15 VanDerWaalsContact O-N 3.16Å
12D82.2Confident74Confident151 Ų151141 Ų14181%0.80770%0.702SS**THydrogen-bonded Turntrans-59.3-4.4-178.4-159.147.5000115
13R80.9Confident74Confident225 Ų225144 Ų14485%0.84970%0.699SS**THydrogen-bonded Turntrans-118.75.2174.8-63-177.1173.8-170-3.8113.8T11 Q17T11-R13 PolarHBondContact O-N 3.31Å; R13-Q17 PolarHBondContact O-NE2 3.36Å
14N77.8Confident73.6Confident24 Ų24139 Ų13913%0.12870%0.695CS.*THydrogen-bonded Turntrans-130.30.7-173.3-165.129.7000111.6E9 T11 Q17E9-N14 PolarHBondContact O-ND2 2.58Å; E9-N14 VanDerWaalsContact O-ND2 3.11Å; T11-N14 CarbonylContact O-C 3.57Å; T11-N14 WeakPolarHBondContact O-CA 3.28Å; T11-N14 PolarHBondContact O-N 3.23Å; T11-N14 WeakPolarHBondContact OG1-CB 2.82Å; N14-Q17 PolarHBondContact O-N 3.13Å; N14-Q17 PolarHBondContact OD1-NE2 3.18Å; N14-Q17 PolarHBondContact OD1-OE1 3.29Å
15W82.4Confident73.2Confident167 Ų167130 Ų13063%0.63368%0.678SS**THydrogen-bonded Turntrans-74.2-29.1-176.383.7-84.7000113.2T11 Q17T11-W15 PolarHBondContact O-N 3.37Å; T11-W15 VanDerWaalsContact O-N 3.16Å; W15-Q17 VanDerWaalsContact C-N 3.33Å
16D82.4Confident72.5Confident116 Ų116128.7 Ų128.762%0.6268%0.677SS**THydrogen-bonded Turntrans-77.9-12174.5-62.5-72.2000113.9E18D16-E18 PolarHBondContact O-N 2.9Å
17Q79.1Confident72Confident117 Ų117134.7 Ų134.755%0.54769%0.69SS.*SBendtrans-85.8110.6-174.2-62.2-175.741.600109.5R13 N14 W15 E19R13-Q17 PolarHBondContact O-NE2 3.36Å; N14-Q17 PolarHBondContact O-N 3.13Å; N14-Q17 PolarHBondContact OD1-NE2 3.18Å; N14-Q17 PolarHBondContact OD1-OE1 3.29Å; W15-Q17 VanDerWaalsContact C-N 3.33Å; Q17-E19 PolarHBondContact O-N 3.14Å
18E70.1Confident71.8Confident187 Ų187131.9 Ų131.987%0.87468%0.684SS**  trans-52.3129.9173.4-72-165.8133.300110.1D16 E20D16-E18 PolarHBondContact O-N 2.9Å; E18-E20 PolarHBondContact O-N 2.94Å
19E69.1Low72Confident146 Ų146133.6 Ų133.668%0.68270%0.702SS**  trans-74.394.6175.3-174.6162.3-12600108.6Q17 G21Q17-E19 PolarHBondContact O-N 3.14Å; E19-G21 PolarHBondContact O-N 2.93Å
20E67.9Low72.1Confident180 Ų180128.6 Ų128.684%0.84169%0.687SS**  trans-52102.4171.4-175.3172.2-155.600108.8E18 E22E18-E20 PolarHBondContact O-N 2.94Å; E20-E22 PolarHBondContact O-N 2.86Å
21G60.2Low72.3Confident69 Ų69125.6 Ų125.671%0.71168%0.677SS**  trans-69.6106.1-168.600000110.8E19 E23E19-G21 PolarHBondContact O-N 2.93Å; G21-E23 PolarHBondContact O-N 2.75Å; G21-E23 VanDerWaalsContact O-N 3.09Å
22E61.9Low72.1Confident190 Ų190128.3 Ų128.389%0.88868%0.684SS**  trans-50.7116.8178.7-65.5-172.8-175.200110.6E20 A24E20-E22 PolarHBondContact O-N 2.86Å; E22-A24 PolarHBondContact O-N 3.35Å
23E61.7Low72Confident164 Ų164125.5 Ų125.577%0.76667%0.669SS**  trans-60.2116.5-179.2-169.9-168.8152.100109.1G21 G25G21-E23 PolarHBondContact O-N 2.75Å; G21-E23 VanDerWaalsContact O-N 3.09Å; E23-G25 PolarHBondContact O-N 2.95Å
24A63.6Low72.1Confident94 Ų94118.3 Ų118.378%0.77765%0.65SS**  trans-62.394.3-177.400000110.4E22 T26E22-A24 PolarHBondContact O-N 3.35Å; A24-T26 PolarHBondContact O-N 2.66Å; A24-T26 VanDerWaalsContact O-N 3.15Å
25G63.7Low72.2Confident56 Ų56120.4 Ų120.458%0.57766%0.661SS**  trans-46.3114.8-160.300000114.3E23 F27E23-G25 PolarHBondContact O-N 2.95Å; G25-F27 PolarHBondContact O-N 3.09Å
26T62.2Low72.3Confident114 Ų114118.4 Ų118.470%0.69966%0.657SS**  trans-60.7108.2178.5-69.50000109.7A24 S28A24-T26 PolarHBondContact O-N 2.66Å; A24-T26 VanDerWaalsContact O-N 3.15Å; T26-S28 PolarHBondContact O-N 3.16Å
27F63.9Low72.5Confident196 Ų196119.9 Ų119.986%0.8667%0.665SS**  trans-60.4108.2176-83-91.1000110.3G25 V29G25-F27 PolarHBondContact O-N 3.09Å; F27-V29 PolarHBondContact O-N 3.17Å
28S67.9Low72.6Confident118 Ų118122.8 Ų122.883%0.82567%0.671SS**  trans-57107.4177.5-49.60000110.7T26 A30T26-S28 PolarHBondContact O-N 3.16Å; S28-A30 PolarHBondContact O-N 2.64Å
29V78.9Confident73.3Confident130 Ų130118.2 Ų118.279%0.78867%0.665SS**PPolyproline II helixtrans-61.7121.3169.2-178.40000107F27F27-V29 PolarHBondContact O-N 3.17Å
30A76.6Confident73.9Confident43 Ų43117.3 Ų117.336%0.35566%0.663SS.*PPolyproline II helixtrans-60.4153.4179.700000110.7S28 V34 L35S28-A30 PolarHBondContact O-N 2.64Å; A30-V34 HydrophobicContact CB-CB 4.06Å; A30-V34 HydrophobicContact CB-CG1 3.85Å; A30-L35 HydrophobicContact CB-CD1 3.9Å; A30-L35 WeakPolarHBondContact O-CD1 3.15Å
31S83.9Confident74.5Confident74 Ų74118.2 Ų118.252%0.51767%0.665SS.*PPolyproline II helixtrans-59.6152.8179.853.30000111.8D33 V34 L35S31-D33 PolarHBondContact O-N 3.05Å; S31-D33 VanDerWaalsContact O-N 3.09Å; S31-V34 WeakPolarHBondContact O-CA 3.41Å; S31-V34 WeakPolarHBondContact O-CB 3.4Å; S31-V34 PolarHBondContact O-N 3.02Å; S31-V34 WeakPolarHBondContact OG-CG2 3.42Å; S31-L35 WeakPolarHBondContact O-CD1 3.13Å; S31-L35 PolarHBondContact O-N 3.46Å; S31-L35 VanDerWaalsContact O-N 3.14Å
32E78.3Confident75.3Confident134 Ų134124.2 Ų124.263%0.62667%0.671SS**Hα-helixtrans-56.4-34.3-170.9-155.3-169.1113.800112.5L35 K36E32-L35 CarbonylContact O-C 3.59Å; E32-L35 WeakPolarHBondContact O-CB 3.16Å; E32-L35 PolarHBondContact O-N 3.06Å; E32-L35 VanDerWaalsContact O-N 3.15Å; E32-K36 WeakPolarHBondContact O-CG 3.44Å; E32-K36 PolarHBondContact O-N 3.5Å; E32-K36 WeakPolarHBondContact OE1-CE 3.25Å; E32-K36 IonicContact OE1-NZ 2.75Å; E32-K36 PolarHBondContact OE1-NZ 3.45Å
33D80.6Confident75.8Confident92 Ų92119.7 Ų119.749%0.49267%0.666SS.*Hα-helixtrans-73-27.5177.9-50.9-55.8000113.2S31 L35 K36 N37S31-D33 PolarHBondContact O-N 3.05Å; S31-D33 VanDerWaalsContact O-N 3.09Å; D33-L35 VanDerWaalsContact C-N 3.33Å; D33-K36 WeakPolarHBondContact OD1-CD 3.41Å; D33-K36 IonicContact OD1-NZ 2.86Å; D33-K36 PolarHBondContact OD1-NZ 3.48Å; D33-N37 WeakPolarHBondContact O-CB 3.36Å; D33-N37 VanDerWaalsContact O-CG 3.29Å; D33-N37 PolarHBondContact O-N 2.87Å; D33-N37 PolarHBondContact O-ND2 2.79Å
34V82Confident76.5Confident74 Ų74119.8 Ų119.845%0.44866%0.664SS.*Hα-helixtrans-72.4-29.1169.11780000110.9A30 S31 R38A30-V34 HydrophobicContact CB-CB 4.06Å; A30-V34 HydrophobicContact CB-CG1 3.85Å; S31-V34 WeakPolarHBondContact O-CA 3.41Å; S31-V34 WeakPolarHBondContact O-CB 3.4Å; S31-V34 PolarHBondContact O-N 3.02Å; S31-V34 WeakPolarHBondContact OG-CG2 3.42Å; V34-R38 PolarHBondContact O-N 2.81Å
35L81Confident76.6Confident68 Ų68126 Ų12636%0.35667%0.667SS.*Hα-helixtrans-73.2-43.5169.6-84.777.4000112A30 S31 E32 D33 N37 R38A30-L35 HydrophobicContact CB-CD1 3.9Å; A30-L35 WeakPolarHBondContact O-CD1 3.15Å; S31-L35 WeakPolarHBondContact O-CD1 3.13Å; S31-L35 PolarHBondContact O-N 3.46Å; S31-L35 VanDerWaalsContact O-N 3.14Å; E32-L35 CarbonylContact O-C 3.59Å; E32-L35 WeakPolarHBondContact O-CB 3.16Å; E32-L35 PolarHBondContact O-N 3.06Å; E32-L35 VanDerWaalsContact O-N 3.15Å; D33-L35 VanDerWaalsContact C-N 3.33Å; L35-N37 VanDerWaalsContact C-N 3.31Å; L35-N37 PolarHBondContact O-N 2.43Å; L35-R38 WeakPolarHBondContact O-CB 3.45Å; L35-R38 PolarHBondContact O-N 3.08Å
36K82.7Confident76.7Confident124 Ų124135.1 Ų135.154%0.53968%0.684SS.*Hα-helixtrans-58.9-41.1176.8-71166.4-165.2153.50112E32 D33 R38E32-K36 WeakPolarHBondContact O-CG 3.44Å; E32-K36 PolarHBondContact O-N 3.5Å; E32-K36 WeakPolarHBondContact OE1-CE 3.25Å; E32-K36 IonicContact OE1-NZ 2.75Å; E32-K36 PolarHBondContact OE1-NZ 3.45Å; D33-K36 WeakPolarHBondContact OD1-CD 3.41Å; D33-K36 IonicContact OD1-NZ 2.86Å; D33-K36 PolarHBondContact OD1-NZ 3.48Å; K36-R38 PolarHBondContact O-N 3.02Å
37N86.4Confident76.2Confident147 Ų147136.3 Ų136.379%0.78669%0.686SS**THydrogen-bonded Turntrans-75.2-3.7176.2-70.6-43000113.8D33 L35D33-N37 WeakPolarHBondContact O-CB 3.36Å; D33-N37 VanDerWaalsContact O-CG 3.29Å; D33-N37 PolarHBondContact O-N 2.87Å; D33-N37 PolarHBondContact O-ND2 2.79Å; L35-N37 VanDerWaalsContact C-N 3.31Å; L35-N37 PolarHBondContact O-N 2.43Å
38R83.1Confident75.2Confident179 Ų179132.5 Ų132.568%0.67568%0.679SS**SBendtrans-96.3127.7177.8-124.7174.5-180176.31.2110.8V34 L35 K36 I40V34-R38 PolarHBondContact O-N 2.81Å; L35-R38 WeakPolarHBondContact O-CB 3.45Å; L35-R38 PolarHBondContact O-N 3.08Å; K36-R38 PolarHBondContact O-N 3.02Å; R38-I40 VanDerWaalsContact C-N 3.33Å; R38-I40 HydrophobicContact CB-CG1 4.48Å; R38-I40 PolarHBondContact O-N 2.96Å
39A83Confident74Confident91 Ų91130.3 Ų130.375%0.75268%0.675SS**  trans-74.476.9179.300000112.9K41A39-K41 PolarHBondContact O-N 3.02Å
40I81.9Confident72.2Confident126 Ų126128 Ų12865%0.64668%0.677SS**  trans-72.689.3-179.4-55.6175000110.8R38 K42R38-I40 VanDerWaalsContact C-N 3.33Å; R38-I40 HydrophobicContact CB-CG1 4.48Å; R38-I40 PolarHBondContact O-N 2.96Å; I40-K42 PolarHBondContact O-N 3.09Å
41K82.1Confident70.8Confident200 Ų200135.6 Ų135.687%0.8771%0.706SS**  trans-73.287.4176.1-71.6-177.8177.1176.70111.9A39 A43A39-K41 PolarHBondContact O-N 3.02Å; K41-A43 PolarHBondContact O-N 3.39Å
42K75.4Confident68.7Low195 Ų195138 Ų13885%0.84872%0.722SS**  trans-71121.8174.9-166170.1-173.7172.90111I40 K44I40-K42 PolarHBondContact O-N 3.09Å; K42-K44 PolarHBondContact O-N 3.12Å
43A72.9Confident67.1Low94 Ų94140.5 Ų140.578%0.77773%0.734SS**  trans-69.4100.2-178.200000112.4K41 R45K41-A43 PolarHBondContact O-N 3.39Å; A43-R45 PolarHBondContact O-N 3.13Å; A43-R45 VanDerWaalsContact O-N 3.15Å
44K75.8Confident65.5Low166 Ų166139.7 Ų139.772%0.72275%0.747SS**  trans-71.1102.1174.7-179.486.9-177.91780109.9K42 R46 T48K42-K44 PolarHBondContact O-N 3.12Å; K44-R46 PolarHBondContact O-N 3.02Å; K44-T48 PolarHBondContact NZ-O 3.22Å; K44-T48 VanDerWaalsContact NZ-O 3.14Å
45R66.6Low63.6Low224 Ų224140.1 Ų140.185%0.84577%0.767SS**  trans-60.9134.5164.6-63.9-177.378.5-132.26.8108.5A43 N47A43-R45 PolarHBondContact O-N 3.13Å; A43-R45 VanDerWaalsContact O-N 3.15Å; R45-N47 VanDerWaalsContact C-N 3.28Å; R45-N47 PolarHBondContact O-N 2.83Å
46R65.3Low62.2Low249 Ų249140.1 Ų140.194%0.9478%0.783SS**SBendtrans-76.376.4-179.2-174.8-173.7-86.4-178.9-6.8111.1K44K44-R46 PolarHBondContact O-N 3.02Å
47N51.4Low61.1Low138 Ų138138.9 Ų138.974%0.73880%0.796SS**  trans-157.8167.7142.1-1350.6000110.8R45R45-N47 VanDerWaalsContact C-N 3.28Å; R45-N47 PolarHBondContact O-N 2.83Å
48T42.5Very low59.8Low117 Ų117141 Ų14172%0.71880%0.798SS**  trans58.7131.1-179.569.30000118.1K44K44-T48 PolarHBondContact NZ-O 3.22Å; K44-T48 VanDerWaalsContact NZ-O 3.14Å
49G43.9Very low58.6Low71 Ų71142.5 Ų142.573%0.73281%0.81SS**  trans-127.8-175.7158.400000108.6
50G40.8Very low57.2Low81 Ų81141.7 Ų141.784%0.83581%0.81SS**  trans83.6120.9-172.500000111.5
51E47.8Very low55.9Low204 Ų204144.1 Ų144.195%0.95382%0.816SS**  trans-82.3131170-67.5171.3103.600108.6
52S38.7Very low54.6Low123 Ų123144.7 Ų144.786%0.8682%0.819SS**  trans-157.1160.1168.7-164.30000110.8
53E44.9Very low53.3Low188 Ų188137.5 Ų137.588%0.87980%0.8SS**  trans-64.2141.9-175.2-172.3-164.9143.600114.3
54G46.8Very low52.5Low75 Ų75142.4 Ų142.477%0.77380%0.804SS**  trans84.1155148.500000119.3
55G42.3Very low50.6Low83 Ų83140.2 Ų140.286%0.85681%0.809SS**  trans109.3109.216200000116.6
56G51.5Low49.2Very low67 Ų67137.3 Ų137.369%0.69181%0.808SS**  trans-66.1139-178.800000115.4F58G56-F58 PolarHBondContact O-N 2.71Å
57A60.2Low47.7Very low99 Ų99130.4 Ų130.482%0.81880%0.803SS**THydrogen-bonded Turntrans-77.228.5-168.800000116.5
58F59Low46.8Very low191 Ų191127.3 Ų127.384%0.83880%0.797SS**THydrogen-bonded Turntrans-118.42.2-173.8-58.8-69.1000114.8G56 G60G56-F58 PolarHBondContact O-N 2.71Å; F58-G60 PolarHBondContact O-N 3.48Å
59K57.5Low47Very low211 Ų211127.8 Ų127.892%0.91780%0.802SS**THydrogen-bonded Turntrans-75.920.9-173.5-149.3171.9-176.5175.90115.2
60G54.1Low46.4Very low73 Ų73129.6 Ų129.675%0.75380%0.804SS**THydrogen-bonded Turntrans-98-24.9-173.800000116F58 K62F58-G60 PolarHBondContact O-N 3.48Å; G60-K62 PolarHBondContact O-N 3.04Å
61F54.1Low46Very low177 Ų177132.2 Ų132.278%0.77680%0.804SS**  trans-88.368.7-173.2-162.5-98.8000112.6G63F61-G63 PolarHBondContact O-N 3.15Å
62K54.6Low45.4Very low212 Ų212129 Ų12992%0.92280%0.798SS**  trans-79.646.7177.6-157.9-173.2178.9-172.80112.4G60G60-K62 PolarHBondContact O-N 3.04Å
63G47.9Very low45.6Very low44 Ų44128.9 Ų128.945%0.45479%0.794SS.*  trans-88.3-42.6-170.100000115.7F61F61-G63 PolarHBondContact O-N 3.15Å
64F56.3Low44.8Very low198 Ų198125 Ų12587%0.86879%0.789SS**  trans-142.398.4-172.8-70-80.8000112.2
65S35.6Very low44.2Very low119 Ų119125.9 Ų125.983%0.83278%0.783SS**  trans-170.3131.5173.2-167.20000108
66M38.2Very low43.8Very low164 Ų164126.5 Ų126.581%0.80877%0.774SS**  cis-164.8152.2-6.7166.4165.3173.900108.5
67A32.9Very low43.1Very low103 Ų103131 Ų13185%0.85178%0.781SS**  trans-158.599164.800000113.6
68A32.9Very low42Very low74 Ų74132.7 Ų132.761%0.61278%0.782SS**  trans-172.8150153.900000109.5
69P46.1Very low41.4Very low126 Ų126128.1 Ų128.182%0.81878%0.779SS**  cis-130.7158.6-37.638.2-25.3000112.5
70S31.8Very low40.6Very low110 Ų110127.8 Ų127.877%0.76978%0.778SS**  trans-151.3136.315953.50000112.5
71T32.2Very low40.1Very low136 Ų136129.3 Ų129.383%0.83478%0.777SS**  trans25.5117.6156.552.10000120.1
72T34.8Very low39.3Very low136 Ų136124 Ų12483%0.83477%0.772SS**  trans-65.6174.2162.250.10000112.7
73P43.5Very low38.6Very low120 Ų120123.6 Ų123.678%0.77977%0.771SS**  cis-129.1162.8-1.639.7-25.5000115.6
74S29Very low37.8Very low108 Ų108124.3 Ų124.376%0.75578%0.778SS**  179.3143124.3-164.80000113.7
75S34.4Very low36.7Very low93 Ų93118.3 Ų118.365%0.6577%0.773SS**  trans32.9127.5146.863.50000123.9
76S33.7Very low36.6Very low96 Ų96119.9 Ų119.967%0.67178%0.777SS**  75.9115.8128.465.70000123.2
77L36.5Very low36.5Very low161 Ų161115.7 Ų115.784%0.84378%0.776SS**  trans69.7154.1144.9-53.6168.2000116.8
78T36.8Very low36.9Very low135 Ų135117 Ų11783%0.82878%0.779SS**  cis-143.6169.87.5-28.60000110.6
79A45.8Very low37.2Very low94 Ų94123.5 Ų123.578%0.77779%0.794SS**  trans-88.9161.6-179.500000114.9
80F40.5Very low37.1Very low205 Ų205126.6 Ų126.690%0.89980%0.795SS**  trans-142.9159.9153.8-167.4-104.9000110.4
81S45.5Very low37.2Very low105 Ų105124.8 Ų124.873%0.73479%0.793SS**  trans-151.4162.9-166.1-172.50000113.3
82G36.3Very low37.6Very low66 Ų66128.7 Ų128.768%0.6880%0.799SS**  trans82.6161.5-176.300000113.1
83F39.3Very low37.5Very low202 Ų202125.6 Ų125.689%0.88679%0.794SS**  cis-156.2145.4-1.6-173.1-104.1000104.4
84G32.2Very low37.1Very low59 Ų59123.5 Ų123.561%0.60879%0.794SS**  cis97.2131.946.400000109.3
85G32.5Very low38Very low73 Ų73126.3 Ų126.375%0.75380%0.8SS**  trans107.9111.4165.200000118.1
86T34.2Very low38Very low151 Ų151126.8 Ų126.893%0.92680%0.803SS**  trans-43.5148.2155.650.50000115.6
87G35.5Very low38.1Very low76 Ų76130.1 Ų130.178%0.78481%0.813SS**  trans-169.2108.7166.400000114.8
88S40.8Very low37.9Very low132 Ų132125 Ų12592%0.92380%0.799SS**  trans-75.7136.2174.5-55.90000111.6
89F39.7Very low37.8Very low209 Ų209125.4 Ų125.492%0.91780%0.802SS**  trans-116.2140165.7-151.6-96000110.7
90K45Very low37.4Very low192 Ų192124.1 Ų124.184%0.83580%0.797SS**  trans-123.5143.2-165-172.9175.8178.1-179.10111.4
91G33.8Very low37Very low71 Ų71120.1 Ų120.173%0.73280%0.795SS**  trans-52.8164.9-165.100000119
92F40.6Very low36.7Very low219 Ų219121.5 Ų121.596%0.96180%0.799SS**  trans-123.7149158.4-109.9-90.1000108.8
93G32.8Very low37.4Very low71 Ų71124.1 Ų124.173%0.73280%0.804SS**  trans-147.7142.9-175.700000114.3
94G35Very low37.4Very low75 Ų75122.5 Ų122.577%0.77380%0.804SS**  trans41.8113.4150.300000121.9
95L46.3Very low37.4Very low168 Ų168128.5 Ų128.588%0.8881%0.813SS**  trans-140.2136.1133.8-63175.7000106.5
96S34.6Very low37.3Very low103 Ų103129.9 Ų129.972%0.7281%0.811SS**  cis101.781.914.582.10000116.6
97N36.3Very low37Very low166 Ų166126 Ų12689%0.88880%0.802SS**  trans-174.5151.4148.9-150.127.7000108.1
98G33.4Very low37.2Very low52 Ų52132.3 Ų132.354%0.53681%0.808SS.*  cis146.5144.4-6.800000111.1
99T34.9Very low37.4Very low145 Ų145132.1 Ų132.189%0.8980%0.804SS**  trans72.1135.5179.9-38.80000115.9
100G35.5Very low37.1Very low67 Ų67127.8 Ų127.869%0.69180%0.799SS**  cis128.389-17.500000116.1
101S33.8Very low36.5Very low120 Ų120123.1 Ų123.184%0.83980%0.796SS**  trans-165.7136.2163.5570000113.7
102T39.3Very low36.3Very low134 Ų134123.8 Ų123.882%0.82280%0.795SS**  trans-123.8161.4154.358.80000107.8
103P50.8Low35.9Very low122 Ų122123.3 Ų123.379%0.79279%0.793SS**  -148.7154.594.737.8-20.4000117.3
104L39Very low35.8Very low167 Ų167125.1 Ų125.187%0.87480%0.801SS**  trans-5.3137.3143.6-15577.9000119.9
105F31.1Very low35.5Very low185 Ų185125.2 Ų125.281%0.81180%0.802SS**  -179.3125.6129.6-175.9-111.5000115
106S30Very low35.1Very low102 Ų102124.5 Ų124.571%0.71380%0.804SS**  trans60.2157.2163.776.10000119.2
107G28.6Very low34.9Very low71 Ų71124.1 Ų124.173%0.73281%0.807SS**  cis-177.5152.9-7.600000112.2
108F39.8Very low35Very low208 Ų208125.7 Ų125.791%0.91281%0.806SS**  trans-81.3162.6172.6-70.4-87.9000111.5
109P45.4Very low35Very low127 Ų127130.5 Ų130.583%0.82582%0.82SS**  -132.8174.296.738.7-30.8000114.5
110S33.3Very low34.9Very low118 Ų118125.6 Ų125.683%0.82580%0.798SS**  trans-119.7-175.8175.7-175.90000110.2
111A31.7Very low35.5Very low94 Ų94129 Ų12978%0.77781%0.808SS**  trans88.8144.5177.200000117.4
112A30.7Very low35.4Very low86 Ų86128.6 Ų128.671%0.71181%0.805SS**  cis-168.7152.6-18.600000114.2
113K31.8Very low35.1Very low209 Ų209127.3 Ų127.391%0.90980%0.802SS**  trans67.6157.1146-83.4-171.6174.5-175.10122.5
114A30.6Very low34.2Very low108 Ų108126.1 Ų126.189%0.89380%0.802SS**  trans73.2143.2170.800000116.8
115G28.5Very low34.1Very low77 Ų77127 Ų12779%0.79480%0.802SS**  cis-162.8178.70.200000113.1
116V38.6Very low34.5Very low154 Ų154123.7 Ų123.793%0.93380%0.799SS**  trans-103.4136.9-172.2-71.90000114.4
117A30.2Very low34.5Very low94 Ų94122.5 Ų122.578%0.77780%0.803SS**  trans-175.3122.5157.300000105.5
118F37.2Very low34.8Very low199 Ų199123.5 Ų123.587%0.87380%0.804SS**  49.3101.751-163.7-89.4000114.3
119N34Very low34.3Very low153 Ų153120.4 Ų120.482%0.81880%0.797SS**  trans-152134.8152.3-157.213.7000111.1
120G32.2Very low33.8Very low43 Ų43121.6 Ų121.644%0.44380%0.795SS.*  trans-80.7-164.1160.800000110.9
121P48.4Very low33.8Very low137 Ų137121.1 Ų121.189%0.8980%0.798SS**  -143.3-175.570.738.3-20.7000115.4
122S31.4Very low33.9Very low113 Ų113120.9 Ų120.979%0.7980%0.796SS**  trans-83.2158.1-173.6175.80000114.9
123S33.6Very low34.1Very low106 Ų106126.4 Ų126.474%0.74181%0.807SS**  trans-32144.3156-178.90000116
124A32Very low34.4Very low97 Ų97124.8 Ų124.880%0.80280%0.803SS**  trans-132.1144.715600000109
125Q36.2Very low34.6Very low185 Ų185126.2 Ų126.286%0.86480%0.801SS**PPolyproline II helixtrans-87.4164-174-101.4-161.5-6900114.1
126P41.3Very low35.1Very low116 Ų116130 Ų13075%0.75380%0.803SS**PPolyproline II helixtrans-83148.3-167.133.4-36.4000114.1
127G28.9Very low34.9Very low78 Ų78126.1 Ų126.180%0.80479%0.794SS**PPolyproline II helixtrans-100.1144.6156.100000110.3
128A35.2Very low35Very low91 Ų91127.5 Ų127.575%0.75280%0.798SS**PPolyproline II helixtrans-94.1150.1171.100000110.2
129D28.5Very low35.4Very low144 Ų144122.3 Ų122.377%0.7779%0.792SS**  -169.4138107.9-102.2-32.6000115.1
130I36.6Very low35.9Very low152 Ų152121 Ų12178%0.77979%0.791SS**  trans21.1115.2147.9-54.2167000118.9
131A32.5Very low36Very low108 Ų108122 Ų12289%0.89380%0.802SS**  trans-139.7122.9138.900000109
132A34.1Very low36.1Very low88 Ų88122.2 Ų122.273%0.72780%0.804SS**  trans-111.5138.2-174.900000112.2
133Q34.6Very low36.4Very low203 Ų203122 Ų12295%0.94980%0.802SS**  trans-131.9112.2154.1-81.9-167-2400109.6
134Q37.9Very low37.3Very low174 Ų174122.9 Ų122.981%0.81381%0.805SS**  trans-98.9143.3160-69.6-179.7-18.900108.5
135T34.9Very low38Very low138 Ų138121.2 Ų121.285%0.84779%0.791SS**  trans-130.5123.3152.948.60000108.7
136N39.3Very low39.1Very low157 Ų157117.2 Ų117.284%0.8478%0.782SS**  trans-66154.2167-66.5-51.4000109.1
137G34.8Very low39.7Very low73 Ų73117 Ų11775%0.75378%0.781SS**  cis146.5144.8-0.100000110
138S31Very low41.6Very low122 Ų122116.2 Ų116.285%0.85376%0.763SS**  trans-158132.9173.5-153.60000110.1
139A45Very low43.8Very low91 Ų91115.8 Ų115.875%0.75274%0.743SS**  trans-79.7148.1171.600000109.5
140P45.1Very low46.4Very low124 Ų124112.6 Ų112.681%0.80573%0.731SS**  -149.8154.596.438.4-23.2000115.8
141G35Very low49Very low64 Ų64114.7 Ų114.766%0.6673%0.729SS**  trans66.5146.2139.400000120.8S143G141-S143 PolarHBondContact O-N 3.32Å
142P51Low51.9Low143 Ų143112.4 Ų112.493%0.92970%0.7SS**SBendtrans-77.698.7168.231.8-32000110.7
143S36.4Very low54.7Low107 Ų107111.1 Ų111.175%0.74868%0.677SS**  trans-148123.7170-172.90000111.6G141 A145G141-S143 PolarHBondContact O-N 3.32Å; S143-A145 PolarHBondContact O-N 3.06Å
144P52.3Low57.5Low125 Ų125104.2 Ų104.281%0.81265%0.651SS**  trans-81.7105.6-176.631.3-33.1000112.1
145A48.1Very low60.3Low62 Ų62104.5 Ų104.551%0.51265%0.645SS.*  trans-69.1146.4175.400000112.7S143 C147 S148S143-A145 PolarHBondContact O-N 3.06Å; A145-C147 VanDerWaalsContact C-N 3.25Å; A145-C147 PolarHBondContact O-N 2.94Å; A145-C147 VanDerWaalsContact O-N 3.13Å; A145-S148 PolarHBondContact O-N 3.09Å
146P58.7Low63.1Low102 Ų102100.1 Ų100.166%0.66262%0.615SS**Hα-helixtrans-62.8-25.1-171.323.1-34.3000114.7S148 R149 S150P146-S148 VanDerWaalsContact C-N 3.29Å; P146-S148 PolarHBondContact O-N 3.15Å; P146-R149 PolarHBondContact O-N 2.83Å; P146-S150 PolarHBondContact O-N 2.84Å
147C53.7Low65.7Low110 Ų11094.3 Ų94.374%0.74358%0.584SS**Hα-helixtrans-65.6-27.5178.7-61.90000113.8A145A145-C147 VanDerWaalsContact C-N 3.25Å; A145-C147 PolarHBondContact O-N 2.94Å; A145-C147 VanDerWaalsContact O-N 3.13Å
148S69.8Low68.7Low62 Ų6294.3 Ų94.343%0.43457%0.569SS.*Hα-helixtrans-72.3-52.6174.1-1550000109.8A145 P146 S150 R151 E152A145-S148 PolarHBondContact O-N 3.09Å; P146-S148 VanDerWaalsContact C-N 3.29Å; P146-S148 PolarHBondContact O-N 3.15Å; S148-S150 VanDerWaalsContact C-N 3.26Å; S148-S150 PolarHBondContact O-N 3.01Å; S148-S150 VanDerWaalsContact O-N 3.09Å; S148-R151 WeakPolarHBondContact O-CA 3.48Å; S148-R151 VanDerWaalsContact O-CB 3.25Å; S148-R151 WeakPolarHBondContact O-CB 3.34Å; S148-R151 PolarHBondContact O-N 2.85Å; S148-E152 VanDerWaalsContact CB-OE2 3.28Å; S148-E152 WeakPolarHBondContact CB-OE2 3.36Å; S148-E152 PolarHBondContact O-N 2.96Å; S148-E152 PolarHBondContact OG-OE2 3.12Å
149R79.8Confident71.8Confident83 Ų8390.8 Ų90.831%0.31355%0.547SS..Hα-helixtrans-48.8-42.3-178.2-170.6175.2176.5715.4113.5P146 Y153 Q197 Y198 A200P146-R149 PolarHBondContact O-N 2.83Å; R149-Y153 WeakPolarHBondContact O-CB 3.43Å; R149-Y153 PolarHBondContact O-N 3.35Å; R149-Q197 VanDerWaalsContact CZ-O 3.27Å; R149-Q197 PolarHBondContact NH1-O 3.05Å; R149-Q197 PolarHBondContact NH2-O 2.96Å; R149-Y198 HydrophobicContact CG-CD1 4.06Å; R149-Y198 VanDerWaalsContact CG-O 3.3Å; R149-Y198 WeakPolarHBondContact CG-O 3.3Å; R149-Y198 PolarHBondContact NE-O 3.11Å; R149-Y198 VanDerWaalsContact NE-O 3.12Å; R149-A200 PolarHBondContact NE-O 2.83Å; R149-A200 PolarHBondContact NH2-O 2.94Å; R149-A200 VanDerWaalsContact NH2-O 3.13Å
150S84.6Confident74.3Confident76 Ų7687.4 Ų87.453%0.53152%0.516SS..Hα-helixtrans-67.2-35.9175179.60000114.1P146 S148 S154P146-S150 PolarHBondContact O-N 2.84Å; S148-S150 VanDerWaalsContact C-N 3.26Å; S148-S150 PolarHBondContact O-N 3.01Å; S148-S150 VanDerWaalsContact O-N 3.09Å; S150-S154 WeakPolarHBondContact O-CB 3.3Å; S150-S154 PolarHBondContact O-N 2.85Å; S150-S154 VanDerWaalsContact O-N 3.08Å; S150-S154 PolarHBondContact O-OG 3.47Å
151R91.2Very high76.7Confident196 Ų19683.9 Ų83.974%0.7449%0.491SS*.Hα-helixtrans-71-41.6176.7-163.9-176.5-163.7178.25.8111.5S148 S154 R155S148-R151 WeakPolarHBondContact O-CA 3.48Å; S148-R151 VanDerWaalsContact O-CB 3.25Å; S148-R151 WeakPolarHBondContact O-CB 3.34Å; S148-R151 PolarHBondContact O-N 2.85Å; R151-S154 PolarHBondContact O-N 2.84Å; R151-R155 WeakPolarHBondContact O-CB 3.44Å; R151-R155 PolarHBondContact O-N 2.86Å
152E92.5Very high79.6Confident60 Ų6085.9 Ų85.928%0.2848%0.483SS..Hα-helixtrans-65.5-44.6175.1-80.575.7-95.100111.6S148 S154 R155 Q156 Y198S148-E152 VanDerWaalsContact CB-OE2 3.28Å; S148-E152 WeakPolarHBondContact CB-OE2 3.36Å; S148-E152 PolarHBondContact O-N 2.96Å; S148-E152 PolarHBondContact OG-OE2 3.12Å; E152-S154 PolarHBondContact O-N 3.05Å; E152-R155 PolarHBondContact O-N 3.44Å; E152-Q156 WeakPolarHBondContact O-CG 3.4Å; E152-Q156 PolarHBondContact O-N 3.29Å; E152-Y198 HydrophobicContact CB-CD1 3.73Å; E152-Y198 HydrophobicContact CB-CE1 3.45Å; E152-Y198 VanDerWaalsContact CB-CE1 3.45Å; E152-Y198 HydrophobicContact CG-CE1 4.14Å
153Y93.6Very high81.8Confident61 Ų6182 Ų8224%0.23946%0.46CS..Hα-helixtrans-51.8-54.5171.7177.7-89.7000111.3R149 R155 Q156 L157 I194 E195R149-Y153 WeakPolarHBondContact O-CB 3.43Å; R149-Y153 PolarHBondContact O-N 3.35Å; Y153-R155 VanDerWaalsContact C-N 3.31Å; Y153-R155 PolarHBondContact O-N 2.86Å; Y153-Q156 PolarHBondContact O-N 3.25Å; Y153-L157 HydrophobicContact CE1-CD2 3.89Å; Y153-L157 WeakPolarHBondContact O-CB 3.4Å; Y153-L157 PolarHBondContact O-N 2.82Å; Y153-I194 HydrophobicContact CD2-CG2 3.52Å; Y153-I194 HydrophobicContact CE2-CG2 3.79Å; Y153-I194 HydrophobicContact CG-CG2 4.24Å; Y153-E195 HydrophobicContact CE2-CG 4.11Å
154S93.3Very high84.7Confident59 Ų5977.7 Ų77.741%0.41343%0.429SS..Hα-helixtrans-60.7-39.5-178.9-56.90000112.2S150 R151 E152 T158S150-S154 WeakPolarHBondContact O-CB 3.3Å; S150-S154 PolarHBondContact O-N 2.85Å; S150-S154 VanDerWaalsContact O-N 3.08Å; S150-S154 PolarHBondContact O-OG 3.47Å; R151-S154 PolarHBondContact O-N 2.84Å; E152-S154 PolarHBondContact O-N 3.05Å; S154-T158 VanDerWaalsContact O-CB 3.29Å; S154-T158 WeakPolarHBondContact O-CB 3.11Å; S154-T158 PolarHBondContact O-N 3.17Å; S154-T158 PolarHBondContact O-OG1 2.87Å
155R95.7Very high86.8Confident180 Ų18079.6 Ų79.668%0.67942%0.42SS*.Hα-helixtrans-65.6-42.9176.5-178.6-178.6176.5-81.6-1.9112.2R151 E152 Y153 A159R151-R155 WeakPolarHBondContact O-CB 3.44Å; R151-R155 PolarHBondContact O-N 2.86Å; E152-R155 PolarHBondContact O-N 3.44Å; Y153-R155 VanDerWaalsContact C-N 3.31Å; Y153-R155 PolarHBondContact O-N 2.86Å; R155-A159 PolarHBondContact O-N 2.79Å
156Q93.9Very high89.1Confident45 Ų4582.1 Ų82.121%0.2142%0.424CS..Hα-helixtrans-72-43.3-179-70.2175.811.200111.9E152 Y153 T158 A159 L160 I194 Y198E152-Q156 WeakPolarHBondContact O-CG 3.4Å; E152-Q156 PolarHBondContact O-N 3.29Å; Y153-Q156 PolarHBondContact O-N 3.25Å; Q156-T158 VanDerWaalsContact C-N 3.3Å; Q156-T158 PolarHBondContact O-N 2.96Å; Q156-A159 PolarHBondContact O-N 2.66Å; Q156-L160 WeakPolarHBondContact O-CB 3.38Å; Q156-L160 PolarHBondContact O-N 2.89Å; Q156-I194 HydrophobicContact CB-CD1 3.95Å; Q156-I194 HydrophobicContact CB-CG1 4.11Å; Q156-I194 HydrophobicContact CB-CG2 4.25Å; Q156-Y198 VanDerWaalsContact CD-CE2 3.49Å; Q156-Y198 VanDerWaalsContact NE2-CZ 3.25Å; Q156-Y198 PolarHBondContact NE2-OH 3.06Å
157L95.3Very high90.8Very high36 Ų3681.3 Ų81.319%0.18841%0.408CS..Hα-helixtrans-62-38.8173.9-178.358000111.5Y153 L160 N161 L191Y153-L157 HydrophobicContact CE1-CD2 3.89Å; Y153-L157 WeakPolarHBondContact O-CB 3.4Å; Y153-L157 PolarHBondContact O-N 2.82Å; L157-L160 PolarHBondContact O-N 2.93Å; L157-N161 VanDerWaalsContact O-CB 3.3Å; L157-N161 WeakPolarHBondContact O-CB 3.37Å; L157-N161 PolarHBondContact O-N 3.32Å; L157-N161 PolarHBondContact O-ND2 3.49Å; L157-L191 HydrophobicContact CD1-CD1 3.79Å
158T96.2Very high92.8Very high73 Ų7377.9 Ų77.945%0.44838%0.382SS..Hα-helixtrans-62.5-46.1173.7-59.10000111.8S154 Q156 N161 Q162S154-T158 VanDerWaalsContact O-CB 3.29Å; S154-T158 WeakPolarHBondContact O-CB 3.11Å; S154-T158 PolarHBondContact O-N 3.17Å; S154-T158 PolarHBondContact O-OG1 2.87Å; Q156-T158 VanDerWaalsContact C-N 3.3Å; Q156-T158 PolarHBondContact O-N 2.96Å; T158-N161 PolarHBondContact O-N 3.33Å; T158-Q162 VanDerWaalsContact O-CG 3.3Å; T158-Q162 WeakPolarHBondContact O-CG 3.37Å; T158-Q162 PolarHBondContact O-N 3.34Å
159A96.9Very high94Very high48 Ų4878.2 Ų78.240%0.39739%0.385SS..Hα-helixtrans-65.7-38.3178.900000112.8R155 Q156 Q162 S163R155-A159 PolarHBondContact O-N 2.79Å; Q156-A159 PolarHBondContact O-N 2.66Å; A159-Q162 PolarHBondContact O-N 2.68Å; A159-S163 PolarHBondContact O-N 3.09Å; A159-S163 PolarHBondContact O-OG 2.93Å
160L96.9Very high94.7Very high19 Ų1980.1 Ų80.110%0.09940%0.395CS..Hα-helixtrans-65.4-44.1174.3179.264.8000111.6Q156 L157 Q162 S163 V164 Y187 H190 I194Q156-L160 WeakPolarHBondContact O-CB 3.38Å; Q156-L160 PolarHBondContact O-N 2.89Å; L157-L160 PolarHBondContact O-N 2.93Å; L160-Q162 VanDerWaalsContact C-N 3.27Å; L160-Q162 PolarHBondContact O-N 2.99Å; L160-S163 PolarHBondContact O-N 2.8Å; L160-S163 PolarHBondContact O-OG 2.93Å; L160-S163 VanDerWaalsContact O-OG 3.11Å; L160-V164 HydrophobicContact CD1-CG2 4.37Å; L160-V164 WeakPolarHBondContact O-CG2 3.39Å; L160-V164 PolarHBondContact O-N 2.96Å; L160-Y187 HydrophobicContact CD1-CD2 4.15Å; L160-Y187 HydrophobicContact CD2-CD2 3.62Å; L160-Y187 HydrophobicContact CD2-CE2 3.56Å; L160-Y187 HydrophobicContact CG-CD2 3.63Å; L160-Y187 HydrophobicContact CG-CE2 3.73Å; L160-H190 HydrophobicContact CD1-CB 3.64Å; L160-H190 HydrophobicContact CD2-CB 3.67Å; L160-H190 HydrophobicContact CG-CB 4.32Å; L160-I194 HydrophobicContact CB-CD1 4.39Å; L160-I194 HydrophobicContact CD2-CD1 3.86Å
161N95.9Very high95.2Very high51 Ų5179.5 Ų79.527%0.27338%0.384SS..Hα-helixtrans-64.1-33.2175.9-75.7-24.9000112.3L157 T158 R165 Y187L157-N161 VanDerWaalsContact O-CB 3.3Å; L157-N161 WeakPolarHBondContact O-CB 3.37Å; L157-N161 PolarHBondContact O-N 3.32Å; L157-N161 PolarHBondContact O-ND2 3.49Å; T158-N161 PolarHBondContact O-N 3.33Å; N161-R165 WeakPolarHBondContact O-CB 3.29Å; N161-R165 VanDerWaalsContact O-CD 3.22Å; N161-R165 WeakPolarHBondContact O-CD 3.48Å; N161-R165 WeakPolarHBondContact O-CG 3.38Å; N161-R165 PolarHBondContact O-N 2.75Å; N161-Y187 VanDerWaalsContact OD1-CE2 3.31Å; N161-Y187 WeakPolarHBondContact OD1-CE2 3.24Å; N161-Y187 PolarHBondContact OD1-OH 3.25Å
162Q97Very high95.4Very high105 Ų10572.6 Ų72.649%0.49136%0.363SS..Hα-helixtrans-69.5-51.5173.2-74.3167.2-14.400111.1T158 A159 L160 V164 R165 D166T158-Q162 VanDerWaalsContact O-CG 3.3Å; T158-Q162 WeakPolarHBondContact O-CG 3.37Å; T158-Q162 PolarHBondContact O-N 3.34Å; A159-Q162 PolarHBondContact O-N 2.68Å; L160-Q162 VanDerWaalsContact C-N 3.27Å; L160-Q162 PolarHBondContact O-N 2.99Å; Q162-V164 VanDerWaalsContact C-N 3.32Å; Q162-V164 PolarHBondContact O-N 3.45Å; Q162-R165 WeakPolarHBondContact O-CB 3.26Å; Q162-R165 PolarHBondContact O-N 3.46Å; Q162-R165 VanDerWaalsContact O-N 3.08Å; Q162-D166 VanDerWaalsContact O-CG 3.3Å; Q162-D166 PolarHBondContact O-N 3.32Å
163S95.9Very high95.4Very high63 Ų6376.3 Ų76.344%0.44139%0.385SS..Hα-helixtrans-63.1-35.1-177.865.70000113.6A159 L160 W167A159-S163 PolarHBondContact O-N 3.09Å; A159-S163 PolarHBondContact O-OG 2.93Å; L160-S163 PolarHBondContact O-N 2.8Å; L160-S163 PolarHBondContact O-OG 2.93Å; L160-S163 VanDerWaalsContact O-OG 3.11Å; S163-W167 VanDerWaalsContact O-CB 3.29Å; S163-W167 WeakPolarHBondContact O-CB 3.19Å; S163-W167 PolarHBondContact O-N 3.17Å
164V96.7Very high95.4Very high16 Ų1678.9 Ų78.910%0.09740%0.403CS..Hα-helixtrans-68.7-40.1173.3171.30000111.7L160 Q162 W167 I168 I183 Y187L160-V164 HydrophobicContact CD1-CG2 4.37Å; L160-V164 WeakPolarHBondContact O-CG2 3.39Å; L160-V164 PolarHBondContact O-N 2.96Å; Q162-V164 VanDerWaalsContact C-N 3.32Å; Q162-V164 PolarHBondContact O-N 3.45Å; V164-W167 PolarHBondContact O-N 3.2Å; V164-I168 HydrophobicContact CG1-CD1 3.68Å; V164-I168 HydrophobicContact CG1-CG1 4.32Å; V164-I168 WeakPolarHBondContact O-CB 3.28Å; V164-I168 VanDerWaalsContact O-CG1 3.25Å; V164-I168 WeakPolarHBondContact O-CG1 3.24Å; V164-I168 PolarHBondContact O-N 2.9Å; V164-I183 HydrophobicContact CG1-CG1 4.16Å; V164-I183 HydrophobicContact CG2-CD1 4.29Å; V164-I183 HydrophobicContact CG2-CG1 4.26Å; V164-Y187 HydrophobicContact CG2-CD2 3.92Å; V164-Y187 HydrophobicContact CG2-CG 4.5Å
165R96.3Very high95.3Very high164 Ų16479.8 Ų79.862%0.61940%0.403SS*.Hα-helixtrans-61.8-49174.2-74.1166.3-172.7-170.8-0111.2N161 Q162 W167 I168 S169N161-R165 WeakPolarHBondContact O-CB 3.29Å; N161-R165 VanDerWaalsContact O-CD 3.22Å; N161-R165 WeakPolarHBondContact O-CD 3.48Å; N161-R165 WeakPolarHBondContact O-CG 3.38Å; N161-R165 PolarHBondContact O-N 2.75Å; Q162-R165 WeakPolarHBondContact O-CB 3.26Å; Q162-R165 PolarHBondContact O-N 3.46Å; Q162-R165 VanDerWaalsContact O-N 3.08Å; R165-W167 VanDerWaalsContact C-N 3.3Å; R165-W167 PolarHBondContact O-N 2.85Å; R165-I168 PolarHBondContact O-N 3.47Å; R165-S169 VanDerWaalsContact O-CB 3.3Å; R165-S169 WeakPolarHBondContact O-CB 3.34Å; R165-S169 PolarHBondContact O-N 3.47Å; R165-S169 PolarHBondContact O-OG 2.85Å
166D96.6Very high95.1Very high115 Ų11576.2 Ų76.262%0.61540%0.403SS*.Hα-helixtrans-61.3-39.6179.1-62.8-24.2000111.5Q162 K170Q162-D166 VanDerWaalsContact O-CG 3.3Å; Q162-D166 PolarHBondContact O-N 3.32Å; D166-K170 WeakPolarHBondContact O-CB 3.41Å; D166-K170 PolarHBondContact O-N 2.96Å
167W95.1Very high95.1Very high86 Ų8681.5 Ų81.533%0.32643%0.432SS..Hα-helixtrans-64-49175-170.8100.8000111.9S163 V164 R165 K170 H171 L180 I183S163-W167 VanDerWaalsContact O-CB 3.29Å; S163-W167 WeakPolarHBondContact O-CB 3.19Å; S163-W167 PolarHBondContact O-N 3.17Å; V164-W167 PolarHBondContact O-N 3.2Å; R165-W167 VanDerWaalsContact C-N 3.3Å; R165-W167 PolarHBondContact O-N 2.85Å; W167-K170 PolarHBondContact O-N 2.99Å; W167-H171 AromaticContact CD1-CE1 3.54Å; W167-H171 AromaticContact CD1-ND1 3.83Å; W167-H171 AromaticContact CD2-CE1 3.8Å; W167-H171 AromaticContact CD2-ND1 3.35Å; W167-H171 VanDerWaalsContact CD2-ND1 3.35Å; W167-H171 AromaticContact CE2-CE1 3.43Å; W167-H171 VanDerWaalsContact CE2-CE1 3.43Å; W167-H171 AromaticContact CE2-ND1 3.35Å; W167-H171 VanDerWaalsContact CE2-ND1 3.35Å; W167-H171 HydrophobicContact CE3-CB 4.46Å; W167-H171 AromaticContact CE3-ND1 3.81Å; W167-H171 AromaticContact CG-CE1 3.86Å; W167-H171 AromaticContact CG-ND1 3.67Å; W167-H171 HydrophobicContact CH2-CB 4.32Å; W167-H171 AromaticContact CZ2-CE1 3.99Å; W167-H171 AromaticContact CZ2-ND1 3.81Å; W167-H171 HydrophobicContact CZ3-CB 4.21Å; W167-H171 AromaticContact NE1-CE1 3.26Å; W167-H171 PolarHBondContact NE1-CE1 2.88Å; W167-H171 VanDerWaalsContact NE1-CE1 3.26Å; W167-H171 AromaticContact NE1-ND1 3.64Å; W167-H171 PolarHBondContact O-N 2.9Å; W167-H171 PolarHBondContact O-ND1 3.49Å; W167-L180 HydrophobicContact CZ3-CD2 3.93Å; W167-I183 HydrophobicContact CD2-CB 4.15Å; W167-I183 HydrophobicContact CD2-CD1 4.04Å; W167-I183 HydrophobicContact CD2-CG1 3.91Å; W167-I183 HydrophobicContact CE3-CB 3.72Å; W167-I183 HydrophobicContact CE3-CD1 4.39Å; W167-I183 HydrophobicContact CE3-CG1 3.74Å; W167-I183 HydrophobicContact CE3-CG2 3.65Å; W167-I183 HydrophobicContact CG-CD1 4.09Å; W167-I183 HydrophobicContact CG-CG1 4.3Å; W167-I183 HydrophobicContact CH2-CB 4.09Å; W167-I183 HydrophobicContact CH2-CG2 4.14Å; W167-I183 HydrophobicContact CZ2-CB 4.46Å; W167-I183 HydrophobicContact CZ3-CB 3.7Å; W167-I183 HydrophobicContact CZ3-CG1 4.27Å; W167-I183 HydrophobicContact CZ3-CG2 3.41Å; W167-I183 VanDerWaalsContact CZ3-CG2 3.41Å
168I95.9Very high94.8Very high37 Ų3781.2 Ų81.219%0.1943%0.433CS..Hα-helixtrans-64.8-48.3179.8-67.6171.6000110V164 R165 K170 H171 V172 L180 I183 F184V164-I168 HydrophobicContact CG1-CD1 3.68Å; V164-I168 HydrophobicContact CG1-CG1 4.32Å; V164-I168 WeakPolarHBondContact O-CB 3.28Å; V164-I168 VanDerWaalsContact O-CG1 3.25Å; V164-I168 WeakPolarHBondContact O-CG1 3.24Å; V164-I168 PolarHBondContact O-N 2.9Å; R165-I168 PolarHBondContact O-N 3.47Å; I168-K170 PolarHBondContact O-N 2.9Å; I168-H171 PolarHBondContact O-N 3.38Å; I168-V172 HydrophobicContact CG2-CG2 3.77Å; I168-V172 WeakPolarHBondContact O-CB 3.18Å; I168-V172 VanDerWaalsContact O-CG2 3.32Å; I168-V172 WeakPolarHBondContact O-CG2 3.3Å; I168-V172 PolarHBondContact O-N 2.96Å; I168-L180 HydrophobicContact CG1-CD2 4.35Å; I168-L180 HydrophobicContact CG2-CD1 4.29Å; I168-L180 HydrophobicContact CG2-CD2 4.4Å; I168-I183 HydrophobicContact CD1-CG2 4.44Å; I168-I183 HydrophobicContact CG1-CG2 4.16Å; I168-F184 HydrophobicContact CD1-CE1 3.91Å; I168-F184 HydrophobicContact CD1-CZ 4.06Å
169S95.3Very high94.6Very high70 Ų7082.9 Ų82.949%0.4944%0.439SS..Hα-helixtrans-59.3-31.6177.8-69.10000112.8R165 N173R165-S169 VanDerWaalsContact O-CB 3.3Å; R165-S169 WeakPolarHBondContact O-CB 3.34Å; R165-S169 PolarHBondContact O-N 3.47Å; R165-S169 PolarHBondContact O-OG 2.85Å; S169-N173 WeakPolarHBondContact O-CB 3.36Å; S169-N173 PolarHBondContact O-ND2 3.2Å
170K94.6Very high94.4Very high123 Ų12382.7 Ų82.754%0.53543%0.431SS..Hα-helixtrans-70.9-60170.6-175.1178.5178-171.10111.5D166 W167 I168 V172 N173 D174D166-K170 WeakPolarHBondContact O-CB 3.41Å; D166-K170 PolarHBondContact O-N 2.96Å; W167-K170 PolarHBondContact O-N 2.99Å; I168-K170 PolarHBondContact O-N 2.9Å; K170-V172 PolarHBondContact O-N 3.02Å; K170-N173 PolarHBondContact O-N 3.14Å; K170-D174 VanDerWaalsContact CE-OD2 3.26Å; K170-D174 WeakPolarHBondContact CE-OD2 3.45Å; K170-D174 WeakPolarHBondContact CG-OD2 3.36Å; K170-D174 PolarHBondContact O-N 3.41Å
171H93.6Very high94.3Very high62 Ų6285.8 Ų85.829%0.28745%0.448SS..Hα-helixtrans-70.6-28.9-167.7-64.388.2000113.7W167 I168 N175W167-H171 AromaticContact CD1-CE1 3.54Å; W167-H171 AromaticContact CD1-ND1 3.83Å; W167-H171 AromaticContact CD2-CE1 3.8Å; W167-H171 AromaticContact CD2-ND1 3.35Å; W167-H171 VanDerWaalsContact CD2-ND1 3.35Å; W167-H171 AromaticContact CE2-CE1 3.43Å; W167-H171 VanDerWaalsContact CE2-CE1 3.43Å; W167-H171 AromaticContact CE2-ND1 3.35Å; W167-H171 VanDerWaalsContact CE2-ND1 3.35Å; W167-H171 HydrophobicContact CE3-CB 4.46Å; W167-H171 AromaticContact CE3-ND1 3.81Å; W167-H171 AromaticContact CG-CE1 3.86Å; W167-H171 AromaticContact CG-ND1 3.67Å; W167-H171 HydrophobicContact CH2-CB 4.32Å; W167-H171 AromaticContact CZ2-CE1 3.99Å; W167-H171 AromaticContact CZ2-ND1 3.81Å; W167-H171 HydrophobicContact CZ3-CB 4.21Å; W167-H171 AromaticContact NE1-CE1 3.26Å; W167-H171 PolarHBondContact NE1-CE1 2.88Å; W167-H171 VanDerWaalsContact NE1-CE1 3.26Å; W167-H171 AromaticContact NE1-ND1 3.64Å; W167-H171 PolarHBondContact O-N 2.9Å; W167-H171 PolarHBondContact O-ND1 3.49Å; I168-H171 PolarHBondContact O-N 3.38Å; H171-N175 CarbonylContact O-C 3.5Å; H171-N175 PolarHBondContact O-N 2.99Å
172V95.3Very high94.3Very high52 Ų5286.6 Ų86.632%0.31546%0.456SS..Hα-helixtrans-73-32.8174175.90000112I168 K170 N175 P176 L180I168-V172 HydrophobicContact CG2-CG2 3.77Å; I168-V172 WeakPolarHBondContact O-CB 3.18Å; I168-V172 VanDerWaalsContact O-CG2 3.32Å; I168-V172 WeakPolarHBondContact O-CG2 3.3Å; I168-V172 PolarHBondContact O-N 2.96Å; K170-V172 PolarHBondContact O-N 3.02Å; V172-N175 CarbonylContact O-C 3.58Å; V172-P176 VanDerWaalsContact O-CA 3.3Å; V172-P176 WeakPolarHBondContact O-CA 3.39Å; V172-P176 VanDerWaalsContact O-N 3.15Å; V172-L180 HydrophobicContact CG2-CD1 4.39Å; V172-L180 HydrophobicContact CG2-CD2 4.02Å
173N93.9Very high94.2Very high137 Ų13782.9 Ų82.973%0.73344%0.439SS*.Hα-helixtrans-75.1-37.2173.4-77.7-39000111.9S169 K170S169-N173 WeakPolarHBondContact O-CB 3.36Å; S169-N173 PolarHBondContact O-ND2 3.2Å; K170-N173 PolarHBondContact O-N 3.14Å
174D94.1Very high94.2Very high115 Ų11584.2 Ų84.262%0.61544%0.437SS*.Hα-helixtrans-70.9-35.7175-70.6-21.3000111.7K170K170-D174 VanDerWaalsContact CE-OD2 3.26Å; K170-D174 WeakPolarHBondContact CE-OD2 3.45Å; K170-D174 WeakPolarHBondContact CG-OD2 3.36Å; K170-D174 PolarHBondContact O-N 3.41Å
175N90.9Very high94.2Very high79 Ų7989.7 Ų89.742%0.42246%0.456SS..  trans-154104.6175.4176.313.5000111.7H171 V172 L177 C178H171-N175 CarbonylContact O-C 3.5Å; H171-N175 PolarHBondContact O-N 2.99Å; V172-N175 CarbonylContact O-C 3.58Å; N175-L177 PolarHBondContact O-N 3.07Å; N175-L177 PolarHBondContact OD1-N 3.4Å; N175-C178 WeakPolarHBondContact O-CB 3.41Å; N175-C178 PolarHBondContact O-N 3.1Å; N175-C178 VanDerWaalsContact O-N 3.11Å; N175-C178 PolarHBondContact O-SG 3.09Å; N175-C178 VanDerWaalsContact O-SG 3.33Å
176P91.3Very high94.1Very high105 Ų10584.9 Ų84.968%0.68244%0.443SS*.THydrogen-bonded Turntrans-70.5-3.5-178.629.5-36.4000114.5V172V172-P176 VanDerWaalsContact O-CA 3.3Å; V172-P176 WeakPolarHBondContact O-CA 3.39Å; V172-P176 VanDerWaalsContact O-N 3.15Å
177L92.5Very high94.1Very high155 Ų15582.2 Ų82.281%0.81242%0.424SS*.THydrogen-bonded Turntrans-103.919.1174-57.2177.6000112.5N175N175-L177 PolarHBondContact O-N 3.07Å; N175-L177 PolarHBondContact OD1-N 3.4Å
178C90Very high94.2Very high31 Ų3182.5 Ų82.521%0.20943%0.429CS..  trans-70.9138.5176.365.70000112.5N175 L180N175-C178 WeakPolarHBondContact O-CB 3.41Å; N175-C178 PolarHBondContact O-N 3.1Å; N175-C178 VanDerWaalsContact O-N 3.11Å; N175-C178 PolarHBondContact O-SG 3.09Å; N175-C178 VanDerWaalsContact O-SG 3.33Å; C178-L180 PolarHBondContact O-N 3.11Å
179D91.5Very high94.2Very high108 Ų10887.6 Ų87.658%0.57845%0.446SS*.  trans-72.6124.8169.1-177.415000110.4N181D179-N181 WeakPolarHBondContact OD1-CB 3.45Å; D179-N181 PolarHBondContact OD1-N 3.01Å
180L93.9Very high94.2Very high43 Ų4389.1 Ų89.123%0.22545%0.445CS..  trans-94.8-10.8178.4-57.7-177.4000112.8W167 I168 V172 C178 P182 I183 F184W167-L180 HydrophobicContact CZ3-CD2 3.93Å; I168-L180 HydrophobicContact CG1-CD2 4.35Å; I168-L180 HydrophobicContact CG2-CD1 4.29Å; I168-L180 HydrophobicContact CG2-CD2 4.4Å; V172-L180 HydrophobicContact CG2-CD1 4.39Å; V172-L180 HydrophobicContact CG2-CD2 4.02Å; C178-L180 PolarHBondContact O-N 3.11Å; L180-P182 VanDerWaalsContact C-CD 3.42Å; L180-P182 VanDerWaalsContact C-N 3.32Å; L180-I183 HydrophobicContact CB-CG2 4.33Å; L180-I183 WeakPolarHBondContact O-CG2 3.1Å; L180-I183 PolarHBondContact O-N 2.81Å; L180-F184 HydrophobicContact CB-CD2 4.09Å; L180-F184 HydrophobicContact CB-CE2 3.52Å; L180-F184 HydrophobicContact CB-CZ 4.15Å; L180-F184 HydrophobicContact CD1-CE2 4.42Å; L180-F184 HydrophobicContact CD1-CZ 4.46Å; L180-F184 WeakPolarHBondContact O-CD2 3.44Å; L180-F184 PolarHBondContact O-N 2.92Å
181N94.1Very high94.2Very high84 Ų8485.1 Ų85.145%0.44943%0.43SS..Hα-helixtrans-53.6-40.5178.1-169.814.4000112.8D179 I183 F184 R185D179-N181 WeakPolarHBondContact OD1-CB 3.45Å; D179-N181 PolarHBondContact OD1-N 3.01Å; N181-I183 PolarHBondContact O-N 3.41Å; N181-F184 PolarHBondContact O-N 2.8Å; N181-R185 WeakPolarHBondContact O-CG 3.26Å; N181-R185 PolarHBondContact O-N 2.87Å
182P94.9Very high94.3Very high69 Ų6984.7 Ų84.745%0.44844%0.437SS..Hα-helixtrans-61.2-44.1177-24.235.6000113.9L180 F184 R185 D186L180-P182 VanDerWaalsContact C-CD 3.42Å; L180-P182 VanDerWaalsContact C-N 3.32Å; P182-F184 VanDerWaalsContact C-N 3.3Å; P182-F184 PolarHBondContact O-N 2.81Å; P182-R185 PolarHBondContact O-N 2.84Å; P182-D186 PolarHBondContact O-N 2.83Å
183I95.4Very high94.3Very high26 Ų2684.5 Ų84.513%0.13344%0.438CS..Hα-helixtrans-69-30.9179.8-172.362.3000111.5V164 W167 I168 L180 N181 D186 Y187V164-I183 HydrophobicContact CG1-CG1 4.16Å; V164-I183 HydrophobicContact CG2-CD1 4.29Å; V164-I183 HydrophobicContact CG2-CG1 4.26Å; W167-I183 HydrophobicContact CD2-CB 4.15Å; W167-I183 HydrophobicContact CD2-CD1 4.04Å; W167-I183 HydrophobicContact CD2-CG1 3.91Å; W167-I183 HydrophobicContact CE3-CB 3.72Å; W167-I183 HydrophobicContact CE3-CD1 4.39Å; W167-I183 HydrophobicContact CE3-CG1 3.74Å; W167-I183 HydrophobicContact CE3-CG2 3.65Å; W167-I183 HydrophobicContact CG-CD1 4.09Å; W167-I183 HydrophobicContact CG-CG1 4.3Å; W167-I183 HydrophobicContact CH2-CB 4.09Å; W167-I183 HydrophobicContact CH2-CG2 4.14Å; W167-I183 HydrophobicContact CZ2-CB 4.46Å; W167-I183 HydrophobicContact CZ3-CB 3.7Å; W167-I183 HydrophobicContact CZ3-CG1 4.27Å; W167-I183 HydrophobicContact CZ3-CG2 3.41Å; W167-I183 VanDerWaalsContact CZ3-CG2 3.41Å; I168-I183 HydrophobicContact CD1-CG2 4.44Å; I168-I183 HydrophobicContact CG1-CG2 4.16Å; L180-I183 HydrophobicContact CB-CG2 4.33Å; L180-I183 WeakPolarHBondContact O-CG2 3.1Å; L180-I183 PolarHBondContact O-N 2.81Å; N181-I183 PolarHBondContact O-N 3.41Å; I183-D186 PolarHBondContact O-N 2.92Å; I183-Y187 WeakPolarHBondContact O-CB 3.41Å; I183-Y187 PolarHBondContact O-N 3.4Å
184F96.3Very high94.2Very high92 Ų9278.6 Ų78.640%0.40441%0.406SS..Hα-helixtrans-70-38.1172.4-61.9-47.5000112.6I168 L180 N181 P182 D186 Y187 E188I168-F184 HydrophobicContact CD1-CE1 3.91Å; I168-F184 HydrophobicContact CD1-CZ 4.06Å; L180-F184 HydrophobicContact CB-CD2 4.09Å; L180-F184 HydrophobicContact CB-CE2 3.52Å; L180-F184 HydrophobicContact CB-CZ 4.15Å; L180-F184 HydrophobicContact CD1-CE2 4.42Å; L180-F184 HydrophobicContact CD1-CZ 4.46Å; L180-F184 WeakPolarHBondContact O-CD2 3.44Å; L180-F184 PolarHBondContact O-N 2.92Å; N181-F184 PolarHBondContact O-N 2.8Å; P182-F184 VanDerWaalsContact C-N 3.3Å; P182-F184 PolarHBondContact O-N 2.81Å; F184-D186 VanDerWaalsContact C-N 3.28Å; F184-D186 PolarHBondContact O-N 2.84Å; F184-Y187 WeakPolarHBondContact O-CB 3.4Å; F184-Y187 PolarHBondContact O-N 3.33Å; F184-E188 WeakPolarHBondContact O-CG 3.31Å; F184-E188 PolarHBondContact O-N 2.83Å
185R96.1Very high94.1Very high130 Ų13077.5 Ų77.549%0.49140%0.397SS..Hα-helixtrans-65.2-30.6171.9-64.7-49.1-179.4174.9-3.4113.3N181 P182 E188 R189N181-R185 WeakPolarHBondContact O-CG 3.26Å; N181-R185 PolarHBondContact O-N 2.87Å; P182-R185 PolarHBondContact O-N 2.84Å; R185-E188 WeakPolarHBondContact CD-OE2 3.28Å; R185-E188 IonicContact CZ-OE1 2.68Å; R185-E188 IonicContact CZ-OE2 2.89Å; R185-E188 IonicContact NE-OE2 2.71Å; R185-E188 VanDerWaalsContact NH1-CD 3.27Å; R185-E188 IonicContact NH1-OE1 2.64Å; R185-E188 PolarHBondContact NH1-OE1 3.34Å; R185-E188 IonicContact NH1-OE2 2.77Å; R185-E188 PolarHBondContact NH1-OE2 2.79Å; R185-R189 WeakPolarHBondContact O-CG 3.5Å; R185-R189 PolarHBondContact O-N 3.43Å; R185-R189 PolarHBondContact O-NH1 2.93Å
186D95.4Very high94.1Very high63 Ų6384.2 Ų84.234%0.33742%0.417SS..Hα-helixtrans-75.3-40.2173.3-82.242.3000111.2P182 I183 F184 R189 H190P182-D186 PolarHBondContact O-N 2.83Å; I183-D186 PolarHBondContact O-N 2.92Å; F184-D186 VanDerWaalsContact C-N 3.28Å; F184-D186 PolarHBondContact O-N 2.84Å; D186-R189 PolarHBondContact O-N 3.22Å; D186-R189 IonicContact OD1-CZ 3.52Å; D186-R189 IonicContact OD1-NH1 3.19Å; D186-R189 PolarHBondContact OD1-NH1 3.48Å; D186-R189 IonicContact OD1-NH2 3.38Å; D186-R189 PolarHBondContact OD1-NH2 3.13Å; D186-R189 IonicContact OD2-CZ 2.77Å; D186-R189 IonicContact OD2-NH2 2.77Å; D186-R189 PolarHBondContact OD2-NH2 2.98Å; D186-H190 PolarHBondContact O-CD2 3.28Å; D186-H190 PolarHBondContact O-N 2.72Å
187Y96.8Very high94Very high59 Ų5984.1 Ų84.123%0.23141%0.407CS..Hα-helixtrans-58.4-46.7171.7177.2-98.4000112.6L160 N161 V164 I183 F184 R189 H190 L191L160-Y187 HydrophobicContact CD1-CD2 4.15Å; L160-Y187 HydrophobicContact CD2-CD2 3.62Å; L160-Y187 HydrophobicContact CD2-CE2 3.56Å; L160-Y187 HydrophobicContact CG-CD2 3.63Å; L160-Y187 HydrophobicContact CG-CE2 3.73Å; N161-Y187 VanDerWaalsContact OD1-CE2 3.31Å; N161-Y187 WeakPolarHBondContact OD1-CE2 3.24Å; N161-Y187 PolarHBondContact OD1-OH 3.25Å; V164-Y187 HydrophobicContact CG2-CD2 3.92Å; V164-Y187 HydrophobicContact CG2-CG 4.5Å; I183-Y187 WeakPolarHBondContact O-CB 3.41Å; I183-Y187 PolarHBondContact O-N 3.4Å; F184-Y187 WeakPolarHBondContact O-CB 3.4Å; F184-Y187 PolarHBondContact O-N 3.33Å; Y187-R189 VanDerWaalsContact C-N 3.33Å; Y187-R189 PolarHBondContact O-N 2.92Å; Y187-H190 PolarHBondContact O-N 2.82Å; Y187-H190 VanDerWaalsContact O-N 3.15Å; Y187-L191 HydrophobicContact CE1-CD2 4.12Å; Y187-L191 WeakPolarHBondContact O-CB 3.31Å; Y187-L191 PolarHBondContact O-N 3.05Å
188E95.8Very high93.7Very high93 Ų9379.6 Ų79.644%0.43538%0.38SS..Hα-helixtrans-53.4-47.4174.6-76.1171179.300111.8F184 R185 H190 L191 A192F184-E188 WeakPolarHBondContact O-CG 3.31Å; F184-E188 PolarHBondContact O-N 2.83Å; R185-E188 WeakPolarHBondContact CD-OE2 3.28Å; R185-E188 IonicContact CZ-OE1 2.68Å; R185-E188 IonicContact CZ-OE2 2.89Å; R185-E188 IonicContact NE-OE2 2.71Å; R185-E188 VanDerWaalsContact NH1-CD 3.27Å; R185-E188 IonicContact NH1-OE1 2.64Å; R185-E188 PolarHBondContact NH1-OE1 3.34Å; R185-E188 IonicContact NH1-OE2 2.77Å; R185-E188 PolarHBondContact NH1-OE2 2.79Å; E188-H190 PolarHBondContact O-N 3.1Å; E188-L191 PolarHBondContact O-N 3.16Å; E188-A192 WeakPolarHBondContact O-CB 3.25Å; E188-A192 PolarHBondContact O-N 3.36Å
189R96.6Very high92.9Very high143 Ų14380.5 Ų80.554%0.5439%0.394SS..Hα-helixtrans-66.2-37.3178.6-66.3-168-44.2-86.59.9112.3R185 D186 Y187 S193R185-R189 WeakPolarHBondContact O-CG 3.5Å; R185-R189 PolarHBondContact O-N 3.43Å; R185-R189 PolarHBondContact O-NH1 2.93Å; D186-R189 PolarHBondContact O-N 3.22Å; D186-R189 IonicContact OD1-CZ 3.52Å; D186-R189 IonicContact OD1-NH1 3.19Å; D186-R189 PolarHBondContact OD1-NH1 3.48Å; D186-R189 IonicContact OD1-NH2 3.38Å; D186-R189 PolarHBondContact OD1-NH2 3.13Å; D186-R189 IonicContact OD2-CZ 2.77Å; D186-R189 IonicContact OD2-NH2 2.77Å; D186-R189 PolarHBondContact OD2-NH2 2.98Å; Y187-R189 VanDerWaalsContact C-N 3.33Å; Y187-R189 PolarHBondContact O-N 2.92Å; R189-S193 WeakPolarHBondContact O-CB 3.23Å; R189-S193 PolarHBondContact O-N 3.4Å; R189-S193 VanDerWaalsContact O-N 3.14Å
190H94.7Very high91.5Very high102 Ų10278.6 Ų78.647%0.47239%0.394SS..Hα-helixtrans-72-39.1176.9-81.7-69.6000112.7L160 D186 Y187 E188 S193 I194L160-H190 HydrophobicContact CD1-CB 3.64Å; L160-H190 HydrophobicContact CD2-CB 3.67Å; L160-H190 HydrophobicContact CG-CB 4.32Å; D186-H190 PolarHBondContact O-CD2 3.28Å; D186-H190 PolarHBondContact O-N 2.72Å; Y187-H190 PolarHBondContact O-N 2.82Å; Y187-H190 VanDerWaalsContact O-N 3.15Å; E188-H190 PolarHBondContact O-N 3.1Å; H190-S193 WeakPolarHBondContact O-CB 3.49Å; H190-S193 PolarHBondContact O-N 3Å; H190-I194 VanDerWaalsContact O-CG1 3.32Å; H190-I194 WeakPolarHBondContact O-CG1 3.38Å; H190-I194 PolarHBondContact O-N 3.05Å
191L95.3Very high89.5Confident39 Ų3979.6 Ų79.620%0.20441%0.414CS..Hα-helixtrans-60.7-52.2175-177.763.1000110.8L157 Y187 E188 S193 I194 E195L157-L191 HydrophobicContact CD1-CD1 3.79Å; Y187-L191 HydrophobicContact CE1-CD2 4.12Å; Y187-L191 WeakPolarHBondContact O-CB 3.31Å; Y187-L191 PolarHBondContact O-N 3.05Å; E188-L191 PolarHBondContact O-N 3.16Å; L191-S193 PolarHBondContact O-N 3.23Å; L191-I194 PolarHBondContact O-N 2.89Å; L191-E195 WeakPolarHBondContact O-CG 3.27Å; L191-E195 PolarHBondContact O-N 2.99Å
192A95.1Very high87.1Confident53 Ų5382.4 Ų82.444%0.43843%0.434SS..Hα-helixtrans-59.8-29.8176.400000113.1E188 R196E188-A192 WeakPolarHBondContact O-CB 3.25Å; E188-A192 PolarHBondContact O-N 3.36Å; A192-R196 WeakPolarHBondContact O-CB 3.46Å; A192-R196 PolarHBondContact O-N 3.04Å
193S94.9Very high84.4Confident48 Ų4887.7 Ų87.734%0.33645%0.453SS..Hα-helixtrans-70.2-43.5173.4-168.40000112.2R189 H190 L191 R196 Q197R189-S193 WeakPolarHBondContact O-CB 3.23Å; R189-S193 PolarHBondContact O-N 3.4Å; R189-S193 VanDerWaalsContact O-N 3.14Å; H190-S193 WeakPolarHBondContact O-CB 3.49Å; H190-S193 PolarHBondContact O-N 3Å; L191-S193 PolarHBondContact O-N 3.23Å; S193-R196 PolarHBondContact O-N 3.24Å; S193-Q197 WeakPolarHBondContact O-CB 3.4Å; S193-Q197 VanDerWaalsContact O-CG 3.3Å; S193-Q197 WeakPolarHBondContact O-CG 3.24Å; S193-Q197 PolarHBondContact O-N 2.88Å
194I92.8Very high81.5Confident14 Ų1495.9 Ų95.97%0.07249%0.491CS..Hα-helixtrans-66.3-42177-65.4164.4000110.5Y153 Q156 L160 H190 L191 Q197 Y198Y153-I194 HydrophobicContact CD2-CG2 3.52Å; Y153-I194 HydrophobicContact CE2-CG2 3.79Å; Y153-I194 HydrophobicContact CG-CG2 4.24Å; Q156-I194 HydrophobicContact CB-CD1 3.95Å; Q156-I194 HydrophobicContact CB-CG1 4.11Å; Q156-I194 HydrophobicContact CB-CG2 4.25Å; L160-I194 HydrophobicContact CB-CD1 4.39Å; L160-I194 HydrophobicContact CD2-CD1 3.86Å; H190-I194 VanDerWaalsContact O-CG1 3.32Å; H190-I194 WeakPolarHBondContact O-CG1 3.38Å; H190-I194 PolarHBondContact O-N 3.05Å; L191-I194 PolarHBondContact O-N 2.89Å; I194-Q197 PolarHBondContact O-N 3.19Å; I194-Y198 PolarHBondContact O-N 2.99Å
195E91.7Very high78.3Confident91 Ų9198.4 Ų98.443%0.42551%0.514SS..Iπ-helixtrans-62.2-44173.5-70.9171.8172.900111.9Y153 L191 Q197 G199Y153-E195 HydrophobicContact CE2-CG 4.11Å; L191-E195 WeakPolarHBondContact O-CG 3.27Å; L191-E195 PolarHBondContact O-N 2.99Å; E195-Q197 PolarHBondContact O-N 3.14Å; E195-G199 WeakPolarHBondContact O-CA 3.47Å; E195-G199 PolarHBondContact O-N 2.63Å
196R91.9Very high75.5Confident221 Ų221101.5 Ų101.583%0.83453%0.534SS*.Iπ-helixtrans-63.5-39.8174.6-176.2174.7-177.8160.52.8112.5A192 S193A192-R196 WeakPolarHBondContact O-CB 3.46Å; A192-R196 PolarHBondContact O-N 3.04Å; S193-R196 PolarHBondContact O-N 3.24Å
197Q87.9Confident72.5Confident102 Ų102108 Ų10848%0.47756%0.562SS.*Iπ-helixtrans-78-34.7-177.4-72.3-177.823.600113.2R149 S193 I194 E195R149-Q197 VanDerWaalsContact CZ-O 3.27Å; R149-Q197 PolarHBondContact NH1-O 3.05Å; R149-Q197 PolarHBondContact NH2-O 2.96Å; S193-Q197 WeakPolarHBondContact O-CB 3.4Å; S193-Q197 VanDerWaalsContact O-CG 3.3Å; S193-Q197 WeakPolarHBondContact O-CG 3.24Å; S193-Q197 PolarHBondContact O-N 2.88Å; I194-Q197 PolarHBondContact O-N 3.19Å; E195-Q197 PolarHBondContact O-N 3.14Å
198Y85.8Confident69.3Low60 Ų60108.8 Ų108.824%0.23559%0.588CS.*Iπ-helixtrans-129.9-16.9-170.8-59-90.4000115.6R149 E152 Q156 I194R149-Y198 HydrophobicContact CG-CD1 4.06Å; R149-Y198 VanDerWaalsContact CG-O 3.3Å; R149-Y198 WeakPolarHBondContact CG-O 3.3Å; R149-Y198 PolarHBondContact NE-O 3.11Å; R149-Y198 VanDerWaalsContact NE-O 3.12Å; E152-Y198 HydrophobicContact CB-CD1 3.73Å; E152-Y198 HydrophobicContact CB-CE1 3.45Å; E152-Y198 VanDerWaalsContact CB-CE1 3.45Å; E152-Y198 HydrophobicContact CG-CE1 4.14Å; Q156-Y198 VanDerWaalsContact CD-CE2 3.49Å; Q156-Y198 VanDerWaalsContact NE2-CZ 3.25Å; Q156-Y198 PolarHBondContact NE2-OH 3.06Å; I194-Y198 PolarHBondContact O-N 2.99Å
199G74.1Confident66Low50 Ų50112.3 Ų112.352%0.51561%0.61SS.*Iπ-helixtrans-75.3-29.3-176.300000115.2E195 G201E195-G199 WeakPolarHBondContact O-CA 3.47Å; E195-G199 PolarHBondContact O-N 2.63Å; G199-G201 PolarHBondContact O-N 2.96Å
200A61.5Low63Low69 Ų69109.2 Ų109.257%0.5762%0.615SS**  trans-66.2129.5-179.500000112.4R149R149-A200 PolarHBondContact NE-O 2.83Å; R149-A200 PolarHBondContact NH2-O 2.94Å; R149-A200 VanDerWaalsContact NH2-O 3.13Å
201G53.3Low60Low63 Ų63109.9 Ų109.965%0.64963%0.631SS**  trans-164.5107.4174.900000111.2G199G199-G201 PolarHBondContact O-N 2.96Å
202V43.2Very low56.9Low144 Ų144114.6 Ų114.687%0.87366%0.662SS**SBendtrans66.4129.8-167.7-154.90000111.5
203E37.6Very low54.4Low179 Ų179117.2 Ų117.284%0.83668%0.675SS**  cis-124149.513.4-7.4-172.1107.500113
204E34.4Very low51.2Low199 Ų199120.5 Ų120.593%0.9370%0.697SS**  trans-164.8127.4139-119.8176-157.700109
205T30.1Very low48.7Very low145 Ų145127.5 Ų127.589%0.8973%0.734SS**  trans-109.2135.5173.5-65.70000109
206Q36.4Very low46.2Very low194 Ų194129.3 Ų129.391%0.90775%0.754SS**  trans-71.6134.8-170.1-61.6175.52.900113.8
207Q32.6Very low43.5Very low200 Ų200123.1 Ų123.194%0.93575%0.75SS**  trans-148.6139.3131.2-158.116424.700107.9
208G29Very low41.5Very low76 Ų76124 Ų12478%0.78477%0.765SS**  trans-166.3-175.9-173.400000114.3
209D26.6Very low38.7Very low166 Ų166127.2 Ų127.289%0.88880%0.795SS**  trans-155.6174.5163.3-159.83.5000109.9
210A34.7Very low36.7Very low79 Ų79132.8 Ų132.865%0.65381%0.813SS**  trans-65.6163.9-177.100000113.4
211S30.6Very low35.1Very low116 Ų116137.1 Ų137.181%0.81183%0.825SS**  cis-159.6161.732.9-50.80000113.1
212T31.2Very low33.9Very low137 Ų137140 Ų14084%0.8484%0.836SS**  trans-75.3161.8156.821.90000111
213P42.3Very low33.2Very low109 Ų109138.3 Ų138.371%0.70883%0.83SS**  cis-144.1-178.334.342.6-22.8000118.8
214S28.2Very low32.8Very low116 Ų116135.2 Ų135.281%0.81183%0.828SS**  trans73.3130.5153.153.80000121.9
215L39.4Very low32.7Very low162 Ų162131.2 Ų131.285%0.84882%0.822SS**  trans-75.9155.9160.4-82.8163.9000110.1
216P38.8Very low32.9Very low129 Ų129129.4 Ų129.484%0.83882%0.816SS**  -143.8-161.459.641.6-21.2000117.1
217A35.8Very low32.7Very low90 Ų90124.5 Ų124.574%0.74480%0.802SS**  trans-59.2163.2-16200000117.6
218P46.4Very low32.7Very low122 Ų122120.1 Ų120.179%0.79279%0.794SS**  trans-93.7167.6-159.539-38.1000114.8
219S26.5Very low32.9Very low126 Ų126121.1 Ų121.188%0.88179%0.789SS**  trans-149148.6157.7-80.70000111.9
220L32.3Very low33.2Very low168 Ų168120.1 Ų120.188%0.8879%0.789SS**  trans-62.7148.8-173.3-58.8160000113.2
221L28.3Very low33.3Very low160 Ų160120.2 Ų120.284%0.83879%0.789SS**  trans-170.5131.2144.2-107.1155.9000112.3
222S26.7Very low33.5Very low124 Ų124122 Ų12287%0.86779%0.789SS**  trans-164.8106.9154.8-82.70000109.2
223S30.2Very low33.5Very low108 Ų108124.8 Ų124.876%0.75579%0.79SS**  trans-140.8131.3177.6-63.70000110
224S28.2Very low33.2Very low114 Ų114125 Ų12580%0.79779%0.794SS**  trans-133.9116.7161.7-700000105.2
225S32.7Very low33.3Very low115 Ų115128.9 Ų128.980%0.80480%0.796SS**  64.3123.479.2-60.40000111.5
226S34Very low32.7Very low107 Ų107124.9 Ų124.975%0.74878%0.782SS**  cis-161.2178.10.252.90000108
227S31.3Very low32.4Very low90 Ų90128.8 Ų128.863%0.62979%0.786SS**  cis-167.1152.237.5-46.70000113.5
228S33.7Very low32Very low108 Ų108130.3 Ų130.376%0.75579%0.786SS**  trans63.1140.2135.870.90000120.3
229S33.3Very low31.2Very low98 Ų98129.6 Ų129.669%0.68578%0.784SS**  cis-155146.323.6-57.30000113.6
230V31.8Very low31.4Very low145 Ų145129.1 Ų129.188%0.87978%0.776SS**  trans45.2154.4147.8-54.50000122.5
231A36.7Very low31.4Very low80 Ų80128.4 Ų128.466%0.66177%0.768SS**  cis-169.3145.4-32.700000110.7
232L35Very low31.7Very low153 Ų153127.9 Ų127.980%0.80177%0.766SS**  trans68.4143.5150.5-73.9166.2000122.9
233F32.4Very low32.6Very low196 Ų196127.2 Ų127.286%0.8676%0.759SS**  trans70.4137.5162.9-81.8-73.2000122
234S35.3Very low32.5Very low114 Ų114125.7 Ų125.780%0.79776%0.76SS**  trans-110.9145.4174.6-39.10000110.3
235F30.3Very low32.9Very low197 Ų197130.1 Ų130.186%0.86477%0.768SS**  trans-165.2162137.5-161.8-128.7000113.3
236S27.6Very low32.7Very low79 Ų79134 Ų13455%0.55277%0.771SS**  trans40.3120.6158.956.90000121.8
237K31.5Very low32.5Very low211 Ų211140.2 Ų140.292%0.91778%0.778SS**  trans-99.3116.9153.4169-173.2172.3178.80109.8
238T28.3Very low32.4Very low121 Ų121141.8 Ų141.874%0.74279%0.789SS**  trans-157.2147.4169.7460000107.7
239S29.4Very low32.1Very low107 Ų107139.5 Ų139.575%0.74878%0.782SS**  cis-123.9-178.93.5-52.90000110
240T30.4Very low32Very low116 Ų116140.8 Ų140.871%0.71279%0.791SS**  -159.9145.366-89.40000111.1
241E33.1Very low32.1Very low154 Ų154138.2 Ų138.272%0.7279%0.785SS**  trans-4.5128.7174.6-5995.6-100.300119.6
242D33.6Very low32.6Very low149 Ų149139.4 Ų139.480%0.79779%0.786SS**  cis84.2144.939.1-163.7-110.3000114.4
243P46.5Very low32.3Very low110 Ų110140 Ų14071%0.71479%0.789SS**  cis-119.1157.3-7.6202.5000115.9
244G27.9Very low32.8Very low76 Ų76136.5 Ų136.578%0.78479%0.786SS**  trans-90.6-162.1-176.200000119.1
245Q35.9Very low32.7Very low207 Ų207136.1 Ų136.197%0.96779%0.79SS**  trans-149.2168.2156.4-111.4-174.319.200112
246K28.2Very low32.7Very low195 Ų195130.1 Ų130.185%0.84878%0.783SS**  trans-103.9141.7-162.2-56170.8-179.9175.10113.9
247R30.8Very low33.2Very low238 Ų238133.3 Ų133.390%0.89880%0.799SS**  trans174.1133.7131.7-91.8152.3-164.9-151.24.1108.2
248S29Very low33.2Very low124 Ų124128.8 Ų128.887%0.86779%0.794SS**  57.2122.975.5-170.30000112.6
249G27.7Very low33.9Very low59 Ų59131.4 Ų131.461%0.60880%0.796SS**  cis168.7-169.71.600000111.1
250S30.4Very low34.3Very low126 Ų126133.5 Ų133.588%0.88180%0.798SS**  trans55.1117.2168.953.30000119.7
251A33.8Very low35.1Very low91 Ų91137.1 Ų137.175%0.75281%0.805SS**  trans-85.7-161.1146.800000108.5
252P46.6Very low35.2Very low104 Ų104132.3 Ų132.368%0.67580%0.796SS**  cis-139.6166.7-8.739.6-21.2000116.8
253L29.1Very low35.3Very low166 Ų166132.5 Ų132.587%0.86979%0.792SS**  trans63.1177.6155-68.1165000116.9
254P44.5Very low35Very low123 Ų123134.6 Ų134.680%0.79979%0.79SS**  cis-123.1-168.9-7.335.4-15.6000115
255A32.9Very low35.5Very low106 Ų106137 Ų13788%0.87679%0.789SS**  trans-69162.2-175.300000117.1
256G29.9Very low35.2Very low70 Ų70134.8 Ų134.872%0.72278%0.784SS**  trans160.9102.415700000117.3
257V36.8Very low35.7Very low147 Ų147129.5 Ų129.589%0.89178%0.777SS**  trans31.9121.6144.5-174.50000119.7
258S32.1Very low36.7Very low115 Ų115124.1 Ų124.180%0.80477%0.773SS**  -178.6158109.3-159.80000114.2
259F42.9Very low36.8Very low177 Ų177122.4 Ų122.478%0.77677%0.766SS**  trans-108.2132.2172.2164.2-82.7000109.5
260N38.6Very low37.2Very low151 Ų151128.2 Ų128.281%0.80778%0.782SS**  trans-169.7143.4149.3-120.8-95.2000112.7
261F47.8Very low37.2Very low192 Ų192125.8 Ų125.884%0.84278%0.777SS**  trans-131.199.5167.8-179.7-97.5000109
262G34.6Very low37.2Very low53 Ų53126.4 Ų126.455%0.54678%0.776SS.*  trans-93.4136.9166.700000109.7
263Q35.3Very low36.6Very low152 Ų152129.2 Ų129.271%0.7179%0.785SS**  60.8125.460.6-145.7-1553000110
264K39.5Very low36.8Very low154 Ų154127.8 Ų127.867%0.6778%0.783SS**  cis-155.1142.532.7-14.4-166.5-172.9-51.60109.4
265V39.3Very low36.3Very low126 Ų126126.9 Ų126.976%0.76478%0.779SS**  62.7119.9103.7178.60000115.5
266D29.5Very low36.4Very low162 Ų162131.2 Ų131.287%0.86678%0.779SS**  -167.3166.5120-115.3-41.1000114.9
267A39.3Very low37.2Very low84 Ų84133.5 Ų133.569%0.69478%0.78SS**  trans-139-161.817800000108.6
268P50.9Low36.8Very low125 Ų125132 Ų13281%0.81278%0.776SS**  cis-135.1-176.8-9.443.9-27.6000114.7
269A31.6Very low37.5Very low88 Ų88132.8 Ų132.873%0.72778%0.776SS**  trans172.9134.5130.100000114.7
270L36.6Very low38.1Very low180 Ų180129.7 Ų129.794%0.94277%0.774SS**  trans20135.7144.4-48.7172000119.5
271G29.5Very low38Very low75 Ų75128.2 Ų128.277%0.77378%0.775SS**  cis160.4-168.910.600000109.2
272S33.4Very low37.7Very low104 Ų104127.7 Ų127.773%0.72777%0.773SS**  cis-172131.6-13.2-159.60000111.5
273L35.1Very low37.6Very low164 Ų164130.7 Ų130.786%0.85979%0.785SS**  trans67158.7169.5-48.1171.8000116.2
274T33.3Very low37.7Very low135 Ų135131.9 Ų131.983%0.82879%0.789SS**  cis-142.4-175.92853.60000115.7
275S33.5Very low37.3Very low104 Ų104129.5 Ų129.573%0.72779%0.792SS**  trans-61.4139.6-164.249.30000123.1
276K35.8Very low36.8Very low198 Ų198127.7 Ų127.786%0.86179%0.785SS**  27.2163.5111.8-84.1-169.8172.6179.80121.1
277P45.5Very low36.7Very low117 Ų117125.8 Ų125.876%0.7678%0.784SS**  cis-144.3174-39.441.3-23.8000114.9
278S28.8Very low36.3Very low115 Ų115126.5 Ų126.580%0.80478%0.784SS**  trans-166.6164.1144.3-159.40000112.6
279V47.3Very low35.4Very low133 Ų133126.9 Ų126.981%0.80678%0.779SS**  trans-138.8-176178.4-62.80000111.2
280P54.1Low35.7Very low112 Ų112130.6 Ų130.673%0.72778%0.781SS**  -93.7175.8-111.640.5-27000114.6
281S36.4Very low35.6Very low119 Ų119126.2 Ų126.283%0.83277%0.766SS**  trans-135.7126.4164.7-173.60000111.7
282F42.3Very low36Very low181 Ų181128.2 Ų128.279%0.79477%0.768SS**  trans-130.1142.1163.661.3-88.5000107.2
283S33.3Very low37.3Very low116 Ų116128.9 Ų128.981%0.81177%0.77SS**  trans-159137170.6-81.30000110.3
284F36.7Very low37.3Very low177 Ų177130.9 Ų130.978%0.77677%0.772SS**  trans-80.8158.4169.198.2-61.9000109.9
285S30.2Very low37.2Very low105 Ų105127 Ų12773%0.73476%0.758SS**  trans-151.4160140.3-163.20000109.4
286S29.2Very low37.1Very low88 Ų88127.2 Ų127.262%0.61576%0.76SS**  trans-143.3164.9179.8-59.90000109.2
287S27.8Very low37Very low121 Ų121122.6 Ų122.685%0.84676%0.759SS**  trans67.6147.3-174.7-760000114.4
288S31.9Very low36.4Very low99 Ų99120.4 Ų120.469%0.69276%0.758SS**  cis-161-171.1-7.751.60000107.7
289N31.5Very low37.3Very low134 Ų134120.9 Ų120.972%0.71776%0.758SS**  cis-163.3176.915.7-152.6-12.9000111.9
290Q37.4Very low36.7Very low166 Ų166120.1 Ų120.178%0.77676%0.759SS**  trans70.9150.9157.5-67.9-174.9-2.300119.6
291S34.3Very low35.8Very low88 Ų88119.8 Ų119.862%0.61577%0.765SS**  cis-172.8116.1-38.547.50000111.2
292S38.6Very low35.9Very low117 Ų117118.1 Ų118.182%0.81876%0.759SS**  trans61.1-167.9149.2-46.50000116.2
293P61.1Low35.6Very low118 Ų118117.5 Ų117.577%0.76676%0.763SS**  -132.2-155.2-105.841-20.2000113.7
294F35Very low35.7Very low205 Ų205117.2 Ų117.290%0.89976%0.761SS**  trans80.4142.6174.4-153.1-89.6000114.1
295G29.8Very low35.4Very low53 Ų53118.1 Ų118.155%0.54677%0.765SS.*  cis160.3153.6-7.300000111.8
296S31.1Very low35.6Very low109 Ų109116.4 Ų116.476%0.76276%0.763SS**  trans61.7102.2174.8-162.60000116.2
297A34Very low35.8Very low102 Ų102115.7 Ų115.784%0.84377%0.77SS**  71116.374.800000115.2
298G33.1Very low36Very low71 Ų71116.9 Ų116.973%0.73277%0.772SS**  trans-161.3151.2172.200000109.4
299P48.1Very low36.3Very low125 Ų125121.1 Ų121.181%0.81278%0.778SS**  trans-108.8146.8-144.138.2-34000118.2
300S34.1Very low36.4Very low117 Ų117120.8 Ų120.882%0.81878%0.781SS**  trans32.4141.4141.2-570000124.2
301A36.6Very low36.1Very low105 Ų105117.2 Ų117.287%0.86878%0.775SS**  trans79.7143.4161.400000116.2
302A38.5Very low35.8Very low84 Ų84120.1 Ų120.169%0.69478%0.783SS**  cis-150.5164.42.500000113.2
303L36Very low35.7Very low168 Ų168118.4 Ų118.488%0.8878%0.776SS**  trans16.7148.4135.5-52.8172.9000120
304S33.6Very low34.9Very low109 Ų109118.5 Ų118.576%0.76278%0.777SS**  cis-178.3175.1-12.7-169.80000109.6
305F31.3Very low34.8Very low197 Ų197113.5 Ų113.586%0.86477%0.773SS**  trans72.5101.1150.3-158.1-88.3000122.8
306G35.1Very low34.9Very low68 Ų68116.1 Ų116.170%0.70179%0.79SS**  71118.3110.500000124.8
307G32.3Very low35.2Very low73 Ų73118.4 Ų118.475%0.75379%0.794SS**  trans97.3154.5153.400000117.2
308T31.6Very low35.3Very low146 Ų146119.5 Ų119.590%0.89679%0.785SS**  cis-159.3176.2-6.64.90000111.7
309K40.1Very low35.3Very low189 Ų189123.2 Ų123.282%0.82278%0.781SS**  trans-53.1172.5-178.3-54.8177.7176.5-178.40115.7
310T32.7Very low34.8Very low127 Ų127123 Ų12378%0.77977%0.773SS**  cis-158179.722.5-18.40000107.9
311S30.8Very low35.2Very low91 Ų91126.8 Ų126.864%0.63678%0.778SS**  cis-149.8-1555.251.10000109.3
312D29Very low35.5Very low148 Ų148131.1 Ų131.179%0.79178%0.78SS**  cis-158.8-168.29.5-135.6-55.2000112.7
313A35.8Very low35.7Very low81 Ų81132.8 Ų132.867%0.66979%0.786SS**  trans-134.1-172-175.600000112.6
314P43.6Very low36.4Very low121 Ų121134 Ų13479%0.78679%0.788SS**  cis-143.6173.121.745.6-26000120.3
315A33.2Very low37.2Very low99 Ų99135.4 Ų135.482%0.81878%0.782SS**  trans65.5109.1142.700000123.3
316A33Very low38.6Very low109 Ų109130.7 Ų130.790%0.90177%0.771SS**  -159.3159.5120.800000109.1
317D36.7Very low39.8Very low157 Ų157133.5 Ų133.584%0.8478%0.778SS**  trans-131-174-174.5-165-161.3000111.5
318D35.4Very low41.1Very low124 Ų124137.5 Ų137.566%0.66377%0.774SS**  trans85.6101.9177.2-82-75.4000117.8
319K33.8Very low42.6Very low150 Ų150135.8 Ų135.865%0.65277%0.765SS**  122.8136.3109.3-89.9171.8157.2-72.40122.9
320D37.5Very low43.1Very low120 Ų120133.9 Ų133.964%0.64276%0.759SS**  trans52.894.8147.5-49.2-23.7000115.6
321E43.7Very low44.3Very low197 Ų197132 Ų13292%0.92175%0.748SS**  59.177.661.3-64.6-154.4163.300115.6
322E42.3Very low45.5Very low196 Ų196134.9 Ų134.992%0.91675%0.749SS**  trans-140.8103.1153.3-160.8164.6-132.600109.5
323S41.5Very low46.9Very low118 Ų118133.9 Ų133.983%0.82574%0.739SS**  trans-129.997.4177.8-161.80000109.4E325S323-E325 VanDerWaalsContact C-N 3.33Å; S323-E325 PolarHBondContact O-N 2.77Å
324E50.7Low47.7Very low193 Ų193134.2 Ų134.290%0.90273%0.733SS**  trans-76.974.8-170-164.6176.6-158.500111.7
325E50.3Low48.2Very low139 Ų139135.4 Ų135.465%0.6573%0.726SS**PPolyproline II helixtrans-77.6124.1177.4-163.1-179.6-128.800111S323 K328S323-E325 VanDerWaalsContact C-N 3.33Å; S323-E325 PolarHBondContact O-N 2.77Å; E325-K328 VanDerWaalsContact OE2-CE 3.27Å; E325-K328 WeakPolarHBondContact OE2-CE 3.26Å; E325-K328 IonicContact OE2-NZ 2.78Å; E325-K328 PolarHBondContact OE2-NZ 2.82Å
326P61Low49.5Very low98 Ų98131.9 Ų131.964%0.63669%0.692SS**PPolyproline II helixtrans-66.6153.6-168.524.5-34.8000114K328P326-K328 PolarHBondContact O-N 2.75Å
327P61.6Low50.6Low128 Ų128133.9 Ų133.983%0.83169%0.688SS**PPolyproline II helixtrans-61.1119.9-170.923.3-34.1000112.4
328K59.4Low52.1Low156 Ų156132.5 Ų132.568%0.67868%0.68SS**PPolyproline II helixtrans-64.8127.7178.3-73.3150.8-175.7151.20109.5E325 P326 E330E325-K328 VanDerWaalsContact OE2-CE 3.27Å; E325-K328 WeakPolarHBondContact OE2-CE 3.26Å; E325-K328 IonicContact OE2-NZ 2.78Å; E325-K328 PolarHBondContact OE2-NZ 2.82Å; P326-K328 PolarHBondContact O-N 2.75Å; K328-E330 PolarHBondContact O-N 2.86Å
329P62.4Low54.4Low110 Ų110127.3 Ų127.371%0.71466%0.655SS**PPolyproline II helixtrans-63.3124-177.824.7-33.3000110.4V331P329-V331 PolarHBondContact O-N 2.82Å
330E51.7Low56.9Low149 Ų149124.9 Ų124.970%0.69665%0.645SS**  trans-69.793.7179.5-170.7-172.3-15200109.8K328 K332K328-E330 PolarHBondContact O-N 2.86Å; E330-K332 VanDerWaalsContact C-N 3.26Å; E330-K332 HydrophobicContact CG-CG 4.27Å; E330-K332 PolarHBondContact O-N 2.78Å; E330-K332 WeakPolarHBondContact OE2-CE 3.34Å; E330-K332 IonicContact OE2-NZ 2.72Å; E330-K332 PolarHBondContact OE2-NZ 2.78Å
331V56.7Low59.5Low89 Ų89120.5 Ų120.554%0.53962%0.619SS.*  trans-68.188.2172.2-177.30000108.6P329 E333P329-V331 PolarHBondContact O-N 2.82Å; V331-E333 PolarHBondContact O-N 3.31Å
332K57.1Low61.8Low151 Ų151113.9 Ų113.966%0.65760%0.595SS**  trans-68.487.8165.6-77.7179.5172132.70108.7E330 V334E330-K332 VanDerWaalsContact C-N 3.26Å; E330-K332 HydrophobicContact CG-CG 4.27Å; E330-K332 PolarHBondContact O-N 2.78Å; E330-K332 WeakPolarHBondContact OE2-CE 3.34Å; E330-K332 IonicContact OE2-NZ 2.72Å; E330-K332 PolarHBondContact OE2-NZ 2.78Å; K332-V334 PolarHBondContact O-N 2.88Å; K332-V334 VanDerWaalsContact O-N 3.09Å
333E58.5Low64.3Low126 Ų126107 Ų10759%0.58956%0.562SS**  trans-45.1118.5157.3-73.5-174.7150.600107.6V331 K335V331-E333 PolarHBondContact O-N 3.31Å; E333-K335 PolarHBondContact O-N 2.93Å
334V51Low66.8Low88 Ų88107.9 Ų107.953%0.53355%0.551SS.*  trans-7285.5178-178.80000107.9K332 E336K332-V334 PolarHBondContact O-N 2.88Å; K332-V334 VanDerWaalsContact O-N 3.09Å; V334-E336 HydrophobicContact CG1-CG 4.22Å; V334-E336 PolarHBondContact O-N 2.79Å
335K55.4Low68.9Low147 Ų14799 Ų9964%0.63951%0.51SS*.  trans-67.8102.8171.8-70.5176.8-176.6172.50107.7E333 D337E333-K335 PolarHBondContact O-N 2.93Å; K335-D337 PolarHBondContact O-N 3.34Å
336E60Low71.1Confident24 Ų2495.5 Ų95.511%0.11249%0.492CS..  trans-82.888.1172-62-160.9145.500108.7V334 D338 A339 K366 R378V334-E336 HydrophobicContact CG1-CG 4.22Å; V334-E336 PolarHBondContact O-N 2.79Å; E336-D338 PolarHBondContact O-N 2.79Å; E336-A339 WeakPolarHBondContact O-CB 3.4Å; E336-A339 PolarHBondContact O-N 2.92Å; E336-K366 IonicContact OE1-NZ 2.79Å; E336-K366 WeakPolarHBondContact OE2-CE 3.35Å; E336-K366 IonicContact OE2-NZ 3.13Å; E336-K366 PolarHBondContact OE2-NZ 3.02Å; E336-R378 IonicContact OE1-CZ 3.59Å; E336-R378 IonicContact OE1-NE 2.63Å; E336-R378 PolarHBondContact OE1-NE 2.82Å; E336-R378 IonicContact OE1-NH2 2.72Å; E336-R378 PolarHBondContact OE1-NH2 3.43Å
337D56.7Low72.7Confident152 Ų15290.8 Ų90.881%0.81346%0.462SS*.THydrogen-bonded Turntrans-61.4-14.8-167.5-63.3-52000115K335 A339K335-D337 PolarHBondContact O-N 3.34Å; D337-A339 VanDerWaalsContact C-N 3.26Å; D337-A339 PolarHBondContact O-N 2.77Å
338D67.8Low74.3Confident127 Ų12786.3 Ų86.368%0.67943%0.429SS*.THydrogen-bonded Turntrans-75.8-4171.5-46.7-64.8000114.6E336 F340 K366E336-D338 PolarHBondContact O-N 2.79Å; D338-F340 PolarHBondContact O-N 3.06Å; D338-K366 HydrophobicContact CB-CD 4.49Å; D338-K366 HydrophobicContact CB-CG 4.47Å
339A82.7Confident75.9Confident15 Ų1580.8 Ų80.812%0.12441%0.405CS..  trans-87.392.9-172.300000113E336 D337 Y341 S342 H364 L365 K366E336-A339 WeakPolarHBondContact O-CB 3.4Å; E336-A339 PolarHBondContact O-N 2.92Å; D337-A339 VanDerWaalsContact C-N 3.26Å; D337-A339 PolarHBondContact O-N 2.77Å; A339-Y341 PolarHBondContact O-N 2.87Å; A339-S342 WeakPolarHBondContact CB-OG 3.48Å; A339-S342 PolarHBondContact O-OG 2.91Å; A339-H364 HydrophobicContact CB-CB 3.8Å; A339-L365 CarbonylContact C-O 3.59Å; A339-L365 WeakPolarHBondContact CA-O 3.2Å; A339-K366 HydrophobicContact CB-CG 4.09Å
340F88Confident77.3Confident100 Ų10079.8 Ų79.844%0.43939%0.389SS..SBendtrans-59.2-18.1-177.969.8-99.6000115.2D338 L365 T373 T443 K447D338-F340 PolarHBondContact O-N 3.06Å; F340-L365 VanDerWaalsContact CD1-O 3.26Å; F340-L365 WeakPolarHBondContact CD1-O 3.43Å; F340-L365 HydrophobicContact CE1-CB 4.02Å; F340-L365 WeakPolarHBondContact CE1-O 3.31Å; F340-L365 HydrophobicContact CE2-CB 3.97Å; F340-L365 HydrophobicContact CE2-CD1 4.49Å; F340-L365 HydrophobicContact CZ-CB 3.62Å; F340-L365 PolarHBondContact N-O 2.95Å; F340-L365 VanDerWaalsContact N-O 3.13Å; F340-T373 HydrophobicContact CE1-CG2 4.28Å; F340-T373 HydrophobicContact CZ-CG2 4.02Å; F340-T443 HydrophobicContact CE2-CG2 3.99Å; F340-K447 HydrophobicContact CE2-CG 4.32Å; F340-K447 HydrophobicContact CZ-CG 4.07Å
341Y90.6Very high79Confident27 Ų2775.3 Ų75.311%0.10637%0.367CS..EExtended strand (participates in β ladder)trans-137.5124.2167.3178.7-83.2000108.9A339 K343 L363 H364 L365 D436 E439 L440A339-Y341 PolarHBondContact O-N 2.87Å; Y341-K343 HydrophobicContact CD1-CB 4.44Å; Y341-K343 HydrophobicContact CE1-CB 3.58Å; Y341-K343 HydrophobicContact CE1-CG 4.44Å; Y341-K343 HydrophobicContact CE2-CD 4.48Å; Y341-L363 HydrophobicContact CD1-CD2 4.11Å; Y341-L363 HydrophobicContact CE1-CD2 4.19Å; Y341-H364 WeakPolarHBondContact O-CA 3.44Å; Y341-L365 HydrophobicContact CD1-CD1 4Å; Y341-L365 HydrophobicContact CG-CD1 4.28Å; Y341-L365 PolarHBondContact O-N 3.37Å; Y341-D436 PolarHBondContact OH-O 3.25Å; Y341-E439 HydrophobicContact CE2-CB 4.33Å; Y341-L440 HydrophobicContact CE1-CD1 3.93Å
342S93.4Very high80.1Confident59 Ų5978.6 Ų78.641%0.41338%0.377SS..EExtended strand (participates in β ladder)trans-132.2121179.5-68.20000110.1A339 L363 H364A339-S342 WeakPolarHBondContact CB-OG 3.48Å; A339-S342 PolarHBondContact O-OG 2.91Å; S342-L363 CarbonylContact C-O 3.55Å; S342-L363 VanDerWaalsContact CA-O 3.31Å; S342-L363 WeakPolarHBondContact CA-O 3.31Å; S342-H364 PolarHBondContact OG-ND1 3.39Å
343K94.1Very high81.4Confident52 Ų5276.2 Ų76.223%0.22638%0.379CS..EExtended strand (participates in β ladder)trans-149.7135.2-176.8-144.294.8176.2-142.50112Y341 L363 D436 E439Y341-K343 HydrophobicContact CD1-CB 4.44Å; Y341-K343 HydrophobicContact CE1-CB 3.58Å; Y341-K343 HydrophobicContact CE1-CG 4.44Å; Y341-K343 HydrophobicContact CE2-CD 4.48Å; K343-L363 PolarHBondContact N-O 3.11Å; K343-L363 PolarHBondContact O-N 2.89Å; K343-D436 WeakPolarHBondContact CE-OD1 3.3Å; K343-D436 IonicContact NZ-OD1 3.14Å; K343-D436 PolarHBondContact NZ-OD1 2.97Å; K343-E439 IonicContact NZ-OE2 2.97Å; K343-E439 PolarHBondContact NZ-OE2 2.82Å
344K94.1Very high83Confident136 Ų13675.8 Ų75.859%0.59138%0.377SS*.EExtended strand (participates in β ladder)trans-73.3134.7177.258.9-175.7162.1-156.80112.6
345C95.1Very high84.9Confident7 Ų775.8 Ų75.85%0.04737%0.37CS..EExtended strand (participates in β ladder)trans-143.4170-173.675.90000112G361 I429 R430 V431C345-G361 CarbonylContact C-O 3.42Å; C345-G361 PolarHBondContact N-O 2.77Å; C345-G361 PolarHBondContact O-N 2.98Å; C345-G361 PolarHBondContact SG-O 2.83Å; C345-G361 VanDerWaalsContact SG-O 3.34Å; C345-I429 HydrophobicContact CB-CG2 3.72Å; C345-R430 CarbonylContact C-O 3.6Å; C345-R430 VanDerWaalsContact CA-O 3.22Å; C345-R430 WeakPolarHBondContact CA-O 3.36Å; C345-V431 HydrophobicContact CB-CG1 3.85Å
346K95.9Very high86.7Confident64 Ų6472.1 Ų72.128%0.27835%0.354SS..EExtended strand (participates in β ladder)trans-125.5123.6170.7-173.8167.9173.6116.50108.5F348 E357 V360 R430K346-F348 HydrophobicContact CB-CE2 4.15Å; K346-F348 HydrophobicContact CD-CE2 4.12Å; K346-F348 HydrophobicContact CD-CZ 3.77Å; K346-F348 HydrophobicContact CG-CE2 3.71Å; K346-F348 HydrophobicContact CG-CZ 3.79Å; K346-E357 VanDerWaalsContact CE-OE1 3.22Å; K346-E357 WeakPolarHBondContact CE-OE1 3.4Å; K346-E357 WeakPolarHBondContact CE-OE2 3.41Å; K346-E357 IonicContact NZ-OE1 2.6Å; K346-E357 PolarHBondContact NZ-OE1 3.28Å; K346-E357 IonicContact NZ-OE2 2.72Å; K346-E357 PolarHBondContact NZ-OE2 3.47Å; K346-V360 HydrophobicContact CB-CG2 4.37Å; K346-V360 HydrophobicContact CD-CG2 3.86Å; K346-V360 HydrophobicContact CG-CG2 3.86Å; K346-R430 PolarHBondContact N-O 2.78Å; K346-R430 PolarHBondContact O-N 2.79Å
347L94.8Very high88.3Confident0 Ų075.6 Ų75.60%037%0.37CS..EExtended strand (participates in β ladder)trans-99.7126.6-171.1-160.579.1000110.6K358 G359 L388 I429L347-K358 HydrophobicContact CB-CB 4.46Å; L347-K358 HydrophobicContact CD2-CB 4.18Å; L347-K358 HydrophobicContact CD2-CD 4.03Å; L347-K358 PolarHBondContact O-N 3.03Å; L347-G359 PolarHBondContact N-O 3.28Å; L347-G359 PolarHBondContact O-N 3.39Å; L347-L388 HydrophobicContact CD2-CB 4.18Å; L347-L388 HydrophobicContact CD2-CD2 4.44Å; L347-I429 HydrophobicContact CD1-CG1 3.87Å
348F94.7Very high90Very high33 Ų3370.5 Ų70.515%0.14534%0.341CS..EExtended strand (participates in β ladder)trans-118.9154.3173.5-57.5-93.7000110.3K346 F355 K356 E357 L427 L428 R430K346-F348 HydrophobicContact CB-CE2 4.15Å; K346-F348 HydrophobicContact CD-CE2 4.12Å; K346-F348 HydrophobicContact CD-CZ 3.77Å; K346-F348 HydrophobicContact CG-CE2 3.71Å; K346-F348 HydrophobicContact CG-CZ 3.79Å; F348-F355 HydrophobicContact CB-CB 4.48Å; F348-F355 HydrophobicContact CB-CD1 4.33Å; F348-K356 CarbonylContact C-O 3.52Å; F348-K356 WeakPolarHBondContact CA-O 3.22Å; F348-E357 HydrophobicContact CD1-CB 4.12Å; F348-E357 HydrophobicContact CE1-CB 4.12Å; F348-L427 CarbonylContact O-C 3.44Å; F348-L427 VanDerWaalsContact O-CA 3.28Å; F348-L427 WeakPolarHBondContact O-CA 3.25Å; F348-L428 HydrophobicContact CB-CB 4.32Å; F348-L428 HydrophobicContact CB-CD2 4.44Å; F348-L428 HydrophobicContact CD2-CD2 3.76Å; F348-L428 HydrophobicContact CE2-CD2 4.45Å; F348-L428 HydrophobicContact CG-CD2 4.4Å; F348-L428 PolarHBondContact N-O 3.38Å; F348-L428 PolarHBondContact O-N 3.26Å; F348-R430 HydrophobicContact CE2-CB 4.08Å
349Y93.3Very high91.2Very high40 Ų4065.1 Ų65.116%0.15732%0.315CS..EExtended strand (participates in β ladder)trans-128.5143.4174.865.4-88000110.5K351 F355 K356 E357 K358 V416Y349-K351 HydrophobicContact CD2-CB 3.92Å; Y349-K351 HydrophobicContact CE2-CB 3.7Å; Y349-K351 HydrophobicContact CE2-CD 4.1Å; Y349-F355 WeakPolarHBondContact O-CA 3.32Å; Y349-K356 HydrophobicContact CD1-CB 4.3Å; Y349-K356 WeakPolarHBondContact CD1-O 3.41Å; Y349-K356 HydrophobicContact CD2-CB 4.41Å; Y349-K356 HydrophobicContact CE1-CB 3.74Å; Y349-K356 HydrophobicContact CE2-CB 3.85Å; Y349-K356 VanDerWaalsContact CZ-CB 3.48Å; Y349-K356 PolarHBondContact N-O 3.29Å; Y349-K356 PolarHBondContact O-N 2.97Å; Y349-E357 WeakPolarHBondContact CE1-O 3.26Å; Y349-K358 HydrophobicContact CD1-CB 4.01Å; Y349-K358 HydrophobicContact CE1-CB 4.41Å; Y349-V416 HydrophobicContact CD1-CG1 3.79Å; Y349-V416 HydrophobicContact CD2-CG1 3.43Å; Y349-V416 VanDerWaalsContact CD2-CG1 3.43Å; Y349-V416 HydrophobicContact CE1-CG1 3.76Å; Y349-V416 HydrophobicContact CE2-CG1 3.4Å; Y349-V416 HydrophobicContact CG-CG1 3.62Å
350K90.9Very high91.7Very high90 Ų9067.5 Ų67.539%0.39133%0.328SS..EExtended strand (participates in β ladder)trans-85.8113.8176.9-168.2173.7-179.3177.40110.9E354 F355 P426K350-E354 CarbonylContact C-O 3.34Å; K350-E354 VanDerWaalsContact CA-O 3.31Å; K350-E354 WeakPolarHBondContact CA-O 3.41Å; K350-F355 HydrophobicContact CB-CD1 4.14Å; K350-F355 HydrophobicContact CB-CE1 3.9Å; K350-F355 HydrophobicContact CB-CZ 4.36Å; K350-F355 HydrophobicContact CD-CZ 4.24Å; K350-F355 HydrophobicContact CG-CE1 4.49Å; K350-P426 HydrophobicContact CB-CB 4.06Å; K350-P426 HydrophobicContact CB-CG 4.35Å; K350-P426 HydrophobicContact CD-CB 4.47Å; K350-P426 HydrophobicContact CD-CG 4.41Å; K350-P426 PolarHBondContact N-O 3.15Å
351K88.3Confident92.1Very high55 Ų5562.8 Ų62.824%0.23931%0.308CS..EExtended strand (participates in β ladder)trans-124.7128.4174176162.7179.6166.30110Y349 S353 E354 D417Y349-K351 HydrophobicContact CD2-CB 3.92Å; Y349-K351 HydrophobicContact CE2-CB 3.7Å; Y349-K351 HydrophobicContact CE2-CD 4.1Å; K351-S353 PolarHBondContact O-N 3.39Å; K351-S353 VanDerWaalsContact O-N 3.09Å; K351-E354 PolarHBondContact N-O 3.4Å; K351-E354 PolarHBondContact O-N 3.37Å; K351-E354 VanDerWaalsContact O-O 3.13Å; K351-D417 IonicContact NZ-OD2 3.86Å; K351-D417 PolarHBondContact NZ-OD2 2.93Å
352E80.1Confident92.2Very high157 Ų15763 Ų6373%0.73431%0.312SS*.THydrogen-bonded Turntrans53.133.6177-67.6149.6-138.600113.4E354E352-E354 VanDerWaalsContact C-N 3.35Å
353S83.7Confident92.3Very high101 Ų10160.2 Ų60.271%0.70629%0.293SS*.THydrogen-bonded Turntrans80.8-14.9-174.2-48.30000117.5K351K351-S353 PolarHBondContact O-N 3.39Å; K351-S353 VanDerWaalsContact O-N 3.09Å
354E92.2Very high92.3Very high118 Ų11858.4 Ų58.455%0.55129%0.285SS*.EExtended strand (participates in β ladder)trans-89.5150.6176.7-174.4175.4-136.200111.8K350 K351 E352 K356K350-E354 CarbonylContact C-O 3.34Å; K350-E354 VanDerWaalsContact CA-O 3.31Å; K350-E354 WeakPolarHBondContact CA-O 3.41Å; K351-E354 PolarHBondContact N-O 3.4Å; K351-E354 PolarHBondContact O-N 3.37Å; K351-E354 VanDerWaalsContact O-O 3.13Å; E352-E354 VanDerWaalsContact C-N 3.35Å; E354-K356 WeakPolarHBondContact OE2-CE 3.24Å; E354-K356 IonicContact OE2-NZ 2.66Å; E354-K356 PolarHBondContact OE2-NZ 2.99Å
355F92Very high92.2Very high88 Ų8852 Ų5239%0.38626%0.257SS..EExtended strand (participates in β ladder)trans-93.8114.5171.2-77.8-80.2000110.7F348 Y349 K350 M407 L428F348-F355 HydrophobicContact CB-CB 4.48Å; F348-F355 HydrophobicContact CB-CD1 4.33Å; Y349-F355 WeakPolarHBondContact O-CA 3.32Å; K350-F355 HydrophobicContact CB-CD1 4.14Å; K350-F355 HydrophobicContact CB-CE1 3.9Å; K350-F355 HydrophobicContact CB-CZ 4.36Å; K350-F355 HydrophobicContact CD-CZ 4.24Å; K350-F355 HydrophobicContact CG-CE1 4.49Å; F355-M407 HydrophobicContact CZ-SD 4.45Å; F355-L428 HydrophobicContact CD1-CB 4.07Å; F355-L428 HydrophobicContact CE1-CB 3.74Å; F355-L428 HydrophobicContact CE1-CD1 4.17Å; F355-L428 HydrophobicContact CZ-CD1 4.18Å
356K93.2Very high92Very high70 Ų7053.2 Ų53.230%0.30426%0.262SS..EExtended strand (participates in β ladder)trans-104.9146.8177.5-67.4-178.5-179.1177.80110.3F348 Y349 E354F348-K356 CarbonylContact C-O 3.52Å; F348-K356 WeakPolarHBondContact CA-O 3.22Å; Y349-K356 HydrophobicContact CD1-CB 4.3Å; Y349-K356 WeakPolarHBondContact CD1-O 3.41Å; Y349-K356 HydrophobicContact CD2-CB 4.41Å; Y349-K356 HydrophobicContact CE1-CB 3.74Å; Y349-K356 HydrophobicContact CE2-CB 3.85Å; Y349-K356 VanDerWaalsContact CZ-CB 3.48Å; Y349-K356 PolarHBondContact N-O 3.29Å; Y349-K356 PolarHBondContact O-N 2.97Å; E354-K356 WeakPolarHBondContact OE2-CE 3.24Å; E354-K356 IonicContact OE2-NZ 2.66Å; E354-K356 PolarHBondContact OE2-NZ 2.99Å
357E93.8Very high91.8Very high96 Ų9659 Ų5945%0.44928%0.282SS..EExtended strand (participates in β ladder)trans-74.7133.1179.7179168.3173.200111K346 F348 Y349K346-E357 VanDerWaalsContact CE-OE1 3.22Å; K346-E357 WeakPolarHBondContact CE-OE1 3.4Å; K346-E357 WeakPolarHBondContact CE-OE2 3.41Å; K346-E357 IonicContact NZ-OE1 2.6Å; K346-E357 PolarHBondContact NZ-OE1 3.28Å; K346-E357 IonicContact NZ-OE2 2.72Å; K346-E357 PolarHBondContact NZ-OE2 3.47Å; F348-E357 HydrophobicContact CD1-CB 4.12Å; F348-E357 HydrophobicContact CE1-CB 4.12Å; Y349-E357 WeakPolarHBondContact CE1-O 3.26Å
358K90.6Very high91.4Very high46 Ų4660.9 Ų60.920%0.229%0.293CS..EExtended strand (participates in β ladder)trans-95-33166.7-155.6-179.9-176.1-177.60111.7L347 Y349 L387 P414 V416L347-K358 HydrophobicContact CB-CB 4.46Å; L347-K358 HydrophobicContact CD2-CB 4.18Å; L347-K358 HydrophobicContact CD2-CD 4.03Å; L347-K358 PolarHBondContact O-N 3.03Å; Y349-K358 HydrophobicContact CD1-CB 4.01Å; Y349-K358 HydrophobicContact CE1-CB 4.41Å; K358-L387 WeakPolarHBondContact CD-O 3.43Å; K358-L387 WeakPolarHBondContact CE-O 3.3Å; K358-L387 PolarHBondContact NZ-O 2.94Å; K358-P414 PolarHBondContact NZ-O 2.64Å; K358-V416 HydrophobicContact CD-CG2 4Å
359G93.3Very high90.6Very high13 Ų1364.7 Ų64.713%0.13433%0.331CS..EExtended strand (participates in β ladder)trans159.4178.7173.500000114.2L347L347-G359 PolarHBondContact N-O 3.28Å; L347-G359 PolarHBondContact O-N 3.39Å
360V94.6Very high89.8Confident65 Ų6569 Ų6939%0.39435%0.352SS..EExtended strand (participates in β ladder)trans-104.8138.3171.4-179.10000108.6K346 A379 D380K346-V360 HydrophobicContact CB-CG2 4.37Å; K346-V360 HydrophobicContact CD-CG2 3.86Å; K346-V360 HydrophobicContact CG-CG2 3.86Å; V360-A379 WeakPolarHBondContact O-CA 3.45Å; V360-D380 HydrophobicContact CG1-CB 4.47Å; V360-D380 PolarHBondContact O-N 3.07Å; V360-D380 VanDerWaalsContact O-N 3.07Å
361G94.5Very high89.4Confident1 Ų166.5 Ų66.51%0.0135%0.352CS..EExtended strand (participates in β ladder)trans-174.7168.6-174.400000115C345 R378C345-G361 CarbonylContact C-O 3.42Å; C345-G361 PolarHBondContact N-O 2.77Å; C345-G361 PolarHBondContact O-N 2.98Å; C345-G361 PolarHBondContact SG-O 2.83Å; C345-G361 VanDerWaalsContact SG-O 3.34Å; G361-R378 CarbonylContact C-O 3.47Å; G361-R378 WeakPolarHBondContact CA-O 3.26Å
362T94.4Very high89.4Confident32 Ų3268 Ų6820%0.19636%0.358CS..EExtended strand (participates in β ladder)trans-90.8126.4174-59.20000110H364 V377 R378T362-H364 VanDerWaalsContact CG2-CE1 3.41Å; T362-H364 WeakPolarHBondContact CG2-CE1 3.38Å; T362-H364 WeakPolarHBondContact CG2-NE2 3.19Å; T362-H364 PolarHBondContact O-CD2 2.94Å; T362-V377 WeakPolarHBondContact O-CA 3.47Å; T362-R378 PolarHBondContact N-O 3.24Å; T362-R378 PolarHBondContact O-N 2.83Å
363L94.6Very high89.9Confident1 Ų160.9 Ų60.91%0.00533%0.325CS..EExtended strand (participates in β ladder)trans-86.8126.4172.1-179.2155.1000108.4Y341 S342 K343 L365 M375 I376 V377 I429 L440Y341-L363 HydrophobicContact CD1-CD2 4.11Å; Y341-L363 HydrophobicContact CE1-CD2 4.19Å; S342-L363 CarbonylContact C-O 3.55Å; S342-L363 VanDerWaalsContact CA-O 3.31Å; S342-L363 WeakPolarHBondContact CA-O 3.31Å; K343-L363 PolarHBondContact N-O 3.11Å; K343-L363 PolarHBondContact O-N 2.89Å; L363-L365 HydrophobicContact CD2-CD1 4.38Å; L363-L365 HydrophobicContact CD2-CG 3.95Å; L363-M375 HydrophobicContact CD1-CG 4.16Å; L363-M375 HydrophobicContact CD1-SD 3.91Å; L363-M375 HydrophobicContact CD2-CG 4.38Å; L363-M375 HydrophobicContact CG-CG 4.13Å; L363-I376 CarbonylContact C-O 3.53Å; L363-I376 WeakPolarHBondContact CA-O 3.22Å; L363-V377 HydrophobicContact CB-CG2 4.06Å; L363-V377 HydrophobicContact CD1-CG2 4.16Å; L363-V377 HydrophobicContact CG-CG2 4.06Å; L363-I429 HydrophobicContact CD1-CD1 3.98Å; L363-I429 HydrophobicContact CD1-CG2 4.18Å; L363-L440 HydrophobicContact CD1-CD1 4.17Å; L363-L440 HydrophobicContact CD1-CD2 4.34Å; L363-L440 HydrophobicContact CD2-CD1 3.97Å
364H93.6Very high90.3Very high14 Ų1458.2 Ų58.27%0.06530%0.302CS..EExtended strand (participates in β ladder)trans-119.3126.4177.3-59.7-79.5000108.7A339 Y341 S342 T362 I376A339-H364 HydrophobicContact CB-CB 3.8Å; Y341-H364 WeakPolarHBondContact O-CA 3.44Å; S342-H364 PolarHBondContact OG-ND1 3.39Å; T362-H364 VanDerWaalsContact CG2-CE1 3.41Å; T362-H364 WeakPolarHBondContact CG2-CE1 3.38Å; T362-H364 WeakPolarHBondContact CG2-NE2 3.19Å; T362-H364 PolarHBondContact O-CD2 2.94Å; H364-I376 PolarHBondContact N-O 3.38Å; H364-I376 PolarHBondContact O-N 3.05Å
365L92.8Very high90.3Very high0 Ų052.7 Ų52.70%028%0.276CS..EExtended strand (participates in β ladder)trans-101.1120167.5-68.9166.4000108.7A339 F340 Y341 L363 T373 Q374 M375 V392 T443 L444A339-L365 CarbonylContact C-O 3.59Å; A339-L365 WeakPolarHBondContact CA-O 3.2Å; F340-L365 VanDerWaalsContact CD1-O 3.26Å; F340-L365 WeakPolarHBondContact CD1-O 3.43Å; F340-L365 HydrophobicContact CE1-CB 4.02Å; F340-L365 WeakPolarHBondContact CE1-O 3.31Å; F340-L365 HydrophobicContact CE2-CB 3.97Å; F340-L365 HydrophobicContact CE2-CD1 4.49Å; F340-L365 HydrophobicContact CZ-CB 3.62Å; F340-L365 PolarHBondContact N-O 2.95Å; F340-L365 VanDerWaalsContact N-O 3.13Å; Y341-L365 HydrophobicContact CD1-CD1 4Å; Y341-L365 HydrophobicContact CG-CD1 4.28Å; Y341-L365 PolarHBondContact O-N 3.37Å; L363-L365 HydrophobicContact CD2-CD1 4.38Å; L363-L365 HydrophobicContact CD2-CG 3.95Å; L365-T373 HydrophobicContact CD2-CG2 4.01Å; L365-Q374 WeakPolarHBondContact CA-O 3.41Å; L365-M375 HydrophobicContact CD2-CB 3.67Å; L365-M375 HydrophobicContact CD2-CG 3.7Å; L365-M375 HydrophobicContact CD2-SD 4.35Å; L365-V392 HydrophobicContact CD2-CG2 4.49Å; L365-T443 HydrophobicContact CD1-CG2 3.73Å; L365-L444 HydrophobicContact CD1-CD2 4.49Å; L365-L444 HydrophobicContact CD2-CD2 4.11Å
366K91.8Very high90.4Very high34 Ų3449.1 Ų49.115%0.14826%0.261CS..EExtended strand (participates in β ladder)trans-114.1156.1176.7-75.4-179.4166.2177.80109.9E336 D338 A339 Q374 I376E336-K366 IonicContact OE1-NZ 2.79Å; E336-K366 WeakPolarHBondContact OE2-CE 3.35Å; E336-K366 IonicContact OE2-NZ 3.13Å; E336-K366 PolarHBondContact OE2-NZ 3.02Å; D338-K366 HydrophobicContact CB-CD 4.49Å; D338-K366 HydrophobicContact CB-CG 4.47Å; A339-K366 HydrophobicContact CB-CG 4.09Å; K366-Q374 PolarHBondContact N-O 3.15Å; K366-Q374 PolarHBondContact O-N 2.98Å; K366-I376 HydrophobicContact CD-CD1 4.27Å
367R90.1Very high90.5Very high186 Ų18645.8 Ų45.870%0.70225%0.246SC*.EExtended strand (participates in β ladder)trans-101.9118.3168.6-159.3174.1-166.2-178.91109.1G371R367-G371 PolarHBondContact NE-O 3.45Å; R367-G371 PolarHBondContact NH2-O 2.81Å
368T86.5Confident90.4Very high38 Ų3844.2 Ų44.223%0.23324%0.236CC..  trans-72.1154.3176.7-50.40000109.7E370 G371 K372 Q374T368-E370 PolarHBondContact O-N 3Å; T368-G371 PolarHBondContact O-N 3.15Å; T368-K372 PolarHBondContact N-O 3.37Å; T368-Q374 PolarHBondContact OG1-OE1 2.77Å
369A79.1Confident90.6Very high114 Ų11442.7 Ų42.794%0.94223%0.232SC*.THydrogen-bonded Turntrans-55.6-24.4177.400000113.9G371A369-G371 PolarHBondContact O-N 3.22Å; A369-G371 VanDerWaalsContact O-N 3.17Å
370E76.7Confident90.4Very high131 Ų13146.6 Ų46.661%0.61225%0.25SS*.THydrogen-bonded Turntrans-73.710.2171.5-56.6-173.5173.400114.2T368 K372T368-E370 PolarHBondContact O-N 3Å; E370-K372 HydrophobicContact CB-CD 4.2Å; E370-K372 HydrophobicContact CB-CG 4.43Å; E370-K372 PolarHBondContact O-N 3.49Å; E370-K372 WeakPolarHBondContact OE2-CE 3.36Å; E370-K372 IonicContact OE2-NZ 2.66Å; E370-K372 PolarHBondContact OE2-NZ 3.4Å
371G81.4Confident90.2Very high36 Ų3647.4 Ų47.437%0.37126%0.256SS..SBendtrans77-19.2-178.600000115.4R367 T368 A369R367-G371 PolarHBondContact NE-O 3.45Å; R367-G371 PolarHBondContact NH2-O 2.81Å; T368-G371 PolarHBondContact O-N 3.15Å; A369-G371 PolarHBondContact O-N 3.22Å; A369-G371 VanDerWaalsContact O-N 3.17Å
372K88.1Confident89.5Confident88 Ų8853.4 Ų53.438%0.38329%0.287SS..  trans-64.9157.9177.4-62.2167.8-171.7164.60112.5T368 E370T368-K372 PolarHBondContact N-O 3.37Å; E370-K372 HydrophobicContact CB-CD 4.2Å; E370-K372 HydrophobicContact CB-CG 4.43Å; E370-K372 PolarHBondContact O-N 3.49Å; E370-K372 WeakPolarHBondContact OE2-CE 3.36Å; E370-K372 IonicContact OE2-NZ 2.66Å; E370-K372 PolarHBondContact OE2-NZ 3.4Å
373T91.1Very high88.9Confident7 Ų759.8 Ų59.84%0.04332%0.319CS..EExtended strand (participates in β ladder)trans-96.5134175.9-51.50000111F340 L365 V392 K447F340-T373 HydrophobicContact CE1-CG2 4.28Å; F340-T373 HydrophobicContact CZ-CG2 4.02Å; L365-T373 HydrophobicContact CD2-CG2 4.01Å; T373-V392 HydrophobicContact CG2-CG2 4.31Å; T373-V392 PolarHBondContact O-N 3.08Å; T373-K447 HydrophobicContact CG2-CB 4.07Å; T373-K447 PolarHBondContact OG1-O 3.29Å
374Q92.1Very high88.4Confident45 Ų4560.1 Ų60.121%0.2132%0.323CS..EExtended strand (participates in β ladder)trans-113.4128.9176.7-171177.8-0.100109.6L365 K366 T368 I376 N389 I390 L391L365-Q374 WeakPolarHBondContact CA-O 3.41Å; K366-Q374 PolarHBondContact N-O 3.15Å; K366-Q374 PolarHBondContact O-N 2.98Å; T368-Q374 PolarHBondContact OG1-OE1 2.77Å; Q374-I376 HydrophobicContact CG-CD1 4.37Å; Q374-I376 HydrophobicContact CG-CG1 4.04Å; Q374-N389 PolarHBondContact NE2-OD1 3.48Å; Q374-I390 CarbonylContact C-O 3.55Å; Q374-I390 WeakPolarHBondContact CA-O 3.44Å; Q374-L391 HydrophobicContact CB-CD2 4.08Å; Q374-L391 HydrophobicContact CG-CD2 4.26Å
375M92.3Very high88.2Confident1 Ų164.5 Ų64.51%0.00535%0.347CS..EExtended strand (participates in β ladder)trans-107.4112.4177.4-170176.685.700109.5L363 L365 L388 I390 V392 I429 L444L363-M375 HydrophobicContact CD1-CG 4.16Å; L363-M375 HydrophobicContact CD1-SD 3.91Å; L363-M375 HydrophobicContact CD2-CG 4.38Å; L363-M375 HydrophobicContact CG-CG 4.13Å; L365-M375 HydrophobicContact CD2-CB 3.67Å; L365-M375 HydrophobicContact CD2-CG 3.7Å; L365-M375 HydrophobicContact CD2-SD 4.35Å; M375-L388 HydrophobicContact CE-CD2 3.51Å; M375-I390 HydrophobicContact CB-CG1 4.09Å; M375-I390 HydrophobicContact CE-CD1 3.77Å; M375-I390 HydrophobicContact CE-CG1 4.23Å; M375-I390 PolarHBondContact N-O 3.31Å; M375-I390 PolarHBondContact O-N 2.9Å; M375-V392 HydrophobicContact CB-CG2 3.84Å; M375-I429 HydrophobicContact CE-CD1 4.12Å; M375-I429 HydrophobicContact SD-CD1 4.38Å; M375-L444 HydrophobicContact SD-CD2 3.84Å
376I93.7Very high88.2Confident13 Ų1367.1 Ų67.17%0.06736%0.36CS..EExtended strand (participates in β ladder)trans-112.2138.9178.6-52.4-179.1000108.1L363 H364 K366 Q374 R378 L388L363-I376 CarbonylContact C-O 3.53Å; L363-I376 WeakPolarHBondContact CA-O 3.22Å; H364-I376 PolarHBondContact N-O 3.38Å; H364-I376 PolarHBondContact O-N 3.05Å; K366-I376 HydrophobicContact CD-CD1 4.27Å; Q374-I376 HydrophobicContact CG-CD1 4.37Å; Q374-I376 HydrophobicContact CG-CG1 4.04Å; I376-R378 HydrophobicContact CG2-CG 4.18Å; I376-L388 CarbonylContact C-O 3.45Å; I376-L388 WeakPolarHBondContact CA-O 3.04Å
377V94.6Very high88.2Confident0 Ų066.3 Ų66.30%036%0.358CS..EExtended strand (participates in β ladder)trans-125.4114.2170.5-173.80000108.1T362 L363 L387 L388T362-V377 WeakPolarHBondContact O-CA 3.47Å; L363-V377 HydrophobicContact CB-CG2 4.06Å; L363-V377 HydrophobicContact CD1-CG2 4.16Å; L363-V377 HydrophobicContact CG-CG2 4.06Å; V377-L387 HydrophobicContact CB-CB 4.38Å; V377-L387 HydrophobicContact CG1-CB 4.26Å; V377-L387 HydrophobicContact CG1-CD1 4.3Å; V377-L387 PolarHBondContact O-N 2.82Å; V377-L388 HydrophobicContact CB-CB 4.06Å; V377-L388 HydrophobicContact CG2-CB 4.04Å; V377-L388 HydrophobicContact CG2-CD2 4.41Å; V377-L388 PolarHBondContact N-O 2.87Å; V377-L388 PolarHBondContact O-N 2.92Å
378R92.8Very high88.4Confident63 Ų6357.4 Ų57.424%0.23832%0.324CS..EExtended strand (participates in β ladder)trans-100.4136.2176.8-69.4-174.5174.8-85.19.2110.4E336 G361 T362 I376 G384 N385E336-R378 IonicContact OE1-CZ 3.59Å; E336-R378 IonicContact OE1-NE 2.63Å; E336-R378 PolarHBondContact OE1-NE 2.82Å; E336-R378 IonicContact OE1-NH2 2.72Å; E336-R378 PolarHBondContact OE1-NH2 3.43Å; G361-R378 CarbonylContact C-O 3.47Å; G361-R378 WeakPolarHBondContact CA-O 3.26Å; T362-R378 PolarHBondContact N-O 3.24Å; T362-R378 PolarHBondContact O-N 2.83Å; I376-R378 HydrophobicContact CG2-CG 4.18Å; R378-G384 PolarHBondContact NH1-O 2.77Å; R378-N385 CarbonylContact C-O 3.46Å
379A94Very high88.7Confident15 Ų1557.7 Ų57.712%0.12432%0.324CS..EExtended strand (participates in β ladder)trans-64138.4177.700000111.2V360 T381 N385 L387V360-A379 WeakPolarHBondContact O-CA 3.45Å; A379-T381 HydrophobicContact CB-CG2 4.36Å; A379-T381 PolarHBondContact O-N 2.87Å; A379-T381 PolarHBondContact O-OG1 2.72Å; A379-N385 HydrophobicContact CB-CB 4.32Å; A379-N385 WeakPolarHBondContact CB-O 3.36Å; A379-N385 PolarHBondContact N-O 3.42Å; A379-L387 HydrophobicContact CB-CD1 4.13Å; A379-L387 HydrophobicContact CB-CD2 4.14Å; A379-L387 HydrophobicContact CB-CG 3.98Å
380D90.6Very high89.3Confident94 Ų9453 Ų5350%0.50328%0.283SS..SBendtrans-74.470.4-179.2-163.37000110.6V360V360-D380 HydrophobicContact CG1-CB 4.47Å; V360-D380 PolarHBondContact O-N 3.07Å; V360-D380 VanDerWaalsContact O-N 3.07Å
381T89.3Confident90Very high83 Ų8350.9 Ų50.951%0.50928%0.275SS..SBendtrans-154.7152.6-168.858.90000110.3A379 L383 G384A379-T381 HydrophobicContact CB-CG2 4.36Å; A379-T381 PolarHBondContact O-N 2.87Å; A379-T381 PolarHBondContact O-OG1 2.72Å; T381-L383 PolarHBondContact O-N 2.78Å; T381-G384 PolarHBondContact O-N 2.88Å
382N80.4Confident90.4Very high126 Ų12649.3 Ų49.367%0.67426%0.259SS*.THydrogen-bonded Turntrans-57.9-20.5179.7-61.8-36.1000114.6
383L81.9Confident90.4Very high166 Ų16648.1 Ų48.187%0.86926%0.26SS*.THydrogen-bonded Turntrans-91.5-6.2177.7-60.5178.2000113.6T381 N385T381-L383 PolarHBondContact O-N 2.78Å; L383-N385 PolarHBondContact O-N 3Å
384G83.5Confident90.1Very high9 Ų951 Ų519%0.09328%0.281CS..  trans56.825.1172.600000116.3R378 T381R378-G384 PolarHBondContact NH1-O 2.77Å; T381-G384 PolarHBondContact O-N 2.88Å
385N90.1Very high89.7Confident106 Ų10654.7 Ų54.757%0.56731%0.306SS*.  trans-56.4139.1-168.8-175.221.9000112.7R378 A379 L383 L387R378-N385 CarbonylContact C-O 3.46Å; A379-N385 HydrophobicContact CB-CB 4.32Å; A379-N385 WeakPolarHBondContact CB-O 3.36Å; A379-N385 PolarHBondContact N-O 3.42Å; L383-N385 PolarHBondContact O-N 3Å; N385-L387 PolarHBondContact O-N 2.99Å
386I92.4Very high89.4Confident54 Ų5454.8 Ų54.828%0.27731%0.307SS..EExtended strand (participates in β ladder)trans-80.9106.7-174-62.1177000110.1N389 P414I386-N389 HydrophobicContact CG2-CB 3.68Å; I386-P414 WeakPolarHBondContact O-CD 3.22Å
387L91.9Very high89.1Confident17 Ų1757.7 Ų57.79%0.08933%0.326CS..EExtended strand (participates in β ladder)trans-76.1-32.7173.9-60.8179.6000111.6K358 V377 A379 N385K358-L387 WeakPolarHBondContact CD-O 3.43Å; K358-L387 WeakPolarHBondContact CE-O 3.3Å; K358-L387 PolarHBondContact NZ-O 2.94Å; V377-L387 HydrophobicContact CB-CB 4.38Å; V377-L387 HydrophobicContact CG1-CB 4.26Å; V377-L387 HydrophobicContact CG1-CD1 4.3Å; V377-L387 PolarHBondContact O-N 2.82Å; A379-L387 HydrophobicContact CB-CD1 4.13Å; A379-L387 HydrophobicContact CB-CD2 4.14Å; A379-L387 HydrophobicContact CB-CG 3.98Å; N385-L387 PolarHBondContact O-N 2.99Å
388L93.1Very high88.8Confident0 Ų058.5 Ų58.50%033%0.332CS..EExtended strand (participates in β ladder)trans-154.7139.2177.8-170.666.1000110.4L347 M375 I376 V377 I390 P412 N413 L427L347-L388 HydrophobicContact CD2-CB 4.18Å; L347-L388 HydrophobicContact CD2-CD2 4.44Å; M375-L388 HydrophobicContact CE-CD2 3.51Å; I376-L388 CarbonylContact C-O 3.45Å; I376-L388 WeakPolarHBondContact CA-O 3.04Å; V377-L388 HydrophobicContact CB-CB 4.06Å; V377-L388 HydrophobicContact CG2-CB 4.04Å; V377-L388 HydrophobicContact CG2-CD2 4.41Å; V377-L388 PolarHBondContact N-O 2.87Å; V377-L388 PolarHBondContact O-N 2.92Å; L388-I390 HydrophobicContact CD1-CG2 3.82Å; L388-I390 HydrophobicContact CD2-CD1 4.33Å; L388-I390 HydrophobicContact CG-CG2 4.18Å; L388-P412 HydrophobicContact CD1-CB 4.25Å; L388-N413 CarbonylContact C-O 3.34Å; L388-N413 VanDerWaalsContact CA-O 3.31Å; L388-N413 WeakPolarHBondContact CA-O 2.98Å; L388-L427 HydrophobicContact CD1-CD1 3.85Å; L388-L427 HydrophobicContact CD2-CD1 3.7Å; L388-L427 HydrophobicContact CG-CD1 4.45Å
389N93.4Very high88.7Confident44 Ų4457.6 Ų57.624%0.23534%0.335CS..EExtended strand (participates in β ladder)trans-146.5100172.3172.917.3000108.9Q374 I386 N413Q374-N389 PolarHBondContact NE2-OD1 3.48Å; I386-N389 HydrophobicContact CG2-CB 3.68Å; N389-N413 PolarHBondContact N-O 3.03Å; N389-N413 WeakPolarHBondContact O-CB 3.4Å; N389-N413 PolarHBondContact O-ND2 2.68Å
390I92Very high88.5Confident15 Ų1560.2 Ų60.28%0.07734%0.342CS..EExtended strand (participates in β ladder)trans-130.2150.5-179.165.7178.2000110.7Q374 M375 L388 L396 C410Q374-I390 CarbonylContact C-O 3.55Å; Q374-I390 WeakPolarHBondContact CA-O 3.44Å; M375-I390 HydrophobicContact CB-CG1 4.09Å; M375-I390 HydrophobicContact CE-CD1 3.77Å; M375-I390 HydrophobicContact CE-CG1 4.23Å; M375-I390 PolarHBondContact N-O 3.31Å; M375-I390 PolarHBondContact O-N 2.9Å; L388-I390 HydrophobicContact CD1-CG2 3.82Å; L388-I390 HydrophobicContact CD2-CD1 4.33Å; L388-I390 HydrophobicContact CG-CG2 4.18Å; I390-L396 HydrophobicContact CD1-CD1 4.46Å; I390-C410 HydrophobicContact CD1-CB 3.92Å; I390-C410 VanDerWaalsContact CD1-SG 3.55Å
391L91.8Very high88.5Confident86 Ų8658.2 Ų58.245%0.4533%0.333SS..EExtended strand (participates in β ladder)trans-73.8149.6155.9-64.5171.5000108.7Q374 P393Q374-L391 HydrophobicContact CB-CD2 4.08Å; Q374-L391 HydrophobicContact CG-CD2 4.26Å; L391-P393 WeakPolarHBondContact O-CD 3.31Å
392V90.3Very high88.5Confident3 Ų357.1 Ų57.12%0.01834%0.338CS..  trans-95.795.5176.2-179.40000108.2L365 T373 M375 L396 L444L365-V392 HydrophobicContact CD2-CG2 4.49Å; T373-V392 HydrophobicContact CG2-CG2 4.31Å; T373-V392 PolarHBondContact O-N 3.08Å; M375-V392 HydrophobicContact CB-CG2 3.84Å; V392-L396 HydrophobicContact CG1-CB 4.45Å; V392-L396 HydrophobicContact CG1-CD1 4.3Å; V392-L396 HydrophobicContact CG1-CD2 4.36Å; V392-L444 HydrophobicContact CG1-CD2 4.49Å; V392-L444 HydrophobicContact CG2-CD2 4.33Å
393P87.7Confident88.9Confident63 Ų6359.7 Ų59.741%0.40934%0.343SS..  trans-70.5151.917830.1-36.1000111L391 T395 L396L391-P393 WeakPolarHBondContact O-CD 3.31Å; P393-T395 PolarHBondContact O-N 3.23Å; P393-T395 VanDerWaalsContact O-N 3.09Å; P393-L396 HydrophobicContact CG-CB 4.1Å; P393-L396 WeakPolarHBondContact O-CB 3.2Å; P393-L396 PolarHBondContact O-N 2.92Å
394S84.3Confident89.4Confident69 Ų6953.4 Ų53.448%0.48331%0.311SS..THydrogen-bonded Turntrans-53.5-32.4175.2-170.50000113.6L396 K448S394-L396 VanDerWaalsContact C-N 3.3Å; S394-L396 PolarHBondContact O-N 3.42Å; S394-K448 PolarHBondContact OG-O 3.26Å
395T84.3Confident89.9Confident121 Ų12154.2 Ų54.274%0.74231%0.313SS*.THydrogen-bonded Turntrans-815.5177.854.30000115.2P393 P397P393-T395 PolarHBondContact O-N 3.23Å; P393-T395 VanDerWaalsContact O-N 3.09Å; T395-P397 WeakPolarHBondContact O-CD 3.3Å
396L85.1Confident90.1Very high4 Ų449.2 Ų49.22%0.02129%0.286CS..  trans-60.2116.1-176.8-178.1124.5000112I390 V392 P393 S394 C398 V408 C410 K448I390-L396 HydrophobicContact CD1-CD1 4.46Å; V392-L396 HydrophobicContact CG1-CB 4.45Å; V392-L396 HydrophobicContact CG1-CD1 4.3Å; V392-L396 HydrophobicContact CG1-CD2 4.36Å; P393-L396 HydrophobicContact CG-CB 4.1Å; P393-L396 WeakPolarHBondContact O-CB 3.2Å; P393-L396 PolarHBondContact O-N 2.92Å; S394-L396 VanDerWaalsContact C-N 3.3Å; S394-L396 PolarHBondContact O-N 3.42Å; L396-C398 HydrophobicContact CD2-CB 3.96Å; L396-C398 PolarHBondContact O-N 2.96Å; L396-V408 HydrophobicContact CD1-CG1 3.75Å; L396-V408 HydrophobicContact CD2-CG1 3.9Å; L396-V408 HydrophobicContact CG-CG1 3.96Å; L396-C410 HydrophobicContact CD1-CB 4.43Å; L396-K448 WeakPolarHBondContact O-CE 3.27Å; L396-K448 PolarHBondContact O-NZ 3.25Å; L396-K448 VanDerWaalsContact O-NZ 3.16Å
397P87.6Confident90.2Very high73 Ų7349 Ų4947%0.47429%0.285SS..  trans-76.1100174.3-12.230.1000109.2T395 V408 V409T395-P397 WeakPolarHBondContact O-CD 3.3Å; P397-V408 WeakPolarHBondContact O-CA 3.2Å; P397-V409 HydrophobicContact CB-CB 4.26Å; P397-V409 HydrophobicContact CB-CG2 4.44Å; P397-V409 WeakPolarHBondContact CD-O 3.31Å; P397-V409 HydrophobicContact CG-CB 4.14Å; P397-V409 PolarHBondContact O-N 3.04Å
398C88.3Confident90.2Very high17 Ų1748.2 Ų48.212%0.11528%0.281CS..EExtended strand (participates in β ladder)trans-99.9141.8163.961.20000109.6L396 M407 V408 K448L396-C398 HydrophobicContact CD2-CB 3.96Å; L396-C398 PolarHBondContact O-N 2.96Å; C398-M407 CarbonylContact C-O 3.55Å; C398-M407 WeakPolarHBondContact CA-O 3.4Å; C398-V408 HydrophobicContact CB-CG2 4.23Å; C398-K448 VanDerWaalsContact SG-CE 3.51Å; C398-K448 PolarHBondContact SG-NZ 3.19Å
399S90.8Very high90.2Very high45 Ų4550.6 Ų50.632%0.31530%0.295SS..EExtended strand (participates in β ladder)trans-147.7139.6178.1570000110M407S399-M407 PolarHBondContact N-O 2.71Å; S399-M407 PolarHBondContact O-N 2.89Å; S399-M407 WeakPolarHBondContact OG-CE 2.81Å; S399-M407 PolarHBondContact OG-O 3.27Å
400R90.9Very high90Very high70 Ų7049.1 Ų49.126%0.26429%0.288SS..EExtended strand (participates in β ladder)trans-83126-179.5-165.363.5172.664.228.9110.2G402 K403 N405 A434 A437 D438R400-G402 PolarHBondContact NH1-O 3.4Å; R400-K403 PolarHBondContact NH1-O 3.04Å; R400-K403 PolarHBondContact NH2-O 3.41Å; R400-N405 PolarHBondContact NH1-O 2.97Å; R400-A434 PolarHBondContact NH2-O 2.87Å; R400-A437 PolarHBondContact NE-O 2.9Å; R400-D438 IonicContact CZ-OD1 2.76Å; R400-D438 IonicContact NE-OD1 3.7Å; R400-D438 PolarHBondContact NE-OD1 3.18Å; R400-D438 IonicContact NH2-OD1 3.77Å; R400-D438 PolarHBondContact NH2-OD1 2.9Å; R400-D438 IonicContact NH2-OD2 2.43Å
401V89.8Confident90Very high51 Ų5151.6 Ų51.631%0.30930%0.303SS..EExtended strand (participates in β ladder)trans-129.1111.7-171.9-178.40000111.4N405 M407 L428V401-N405 PolarHBondContact N-O 3.03Å; V401-N405 VanDerWaalsContact O-CB 3.31Å; V401-N405 WeakPolarHBondContact O-CB 3.38Å; V401-N405 PolarHBondContact O-ND2 2.76Å; V401-N405 VanDerWaalsContact O-O 3.12Å; V401-M407 HydrophobicContact CG2-CB 3.63Å; V401-M407 HydrophobicContact CG2-CE 4.21Å; V401-L428 HydrophobicContact CG1-CD1 4.49Å
402G88.7Confident89.9Confident60 Ų6047.7 Ų47.762%0.61928%0.284SS*.THydrogen-bonded Turntrans63.7-160.2-17900000113.1R400R400-G402 PolarHBondContact NH1-O 3.4Å
403K88.8Confident89.8Confident180 Ų18051.5 Ų51.578%0.78330%0.304SS*.THydrogen-bonded Turntrans-70.5-41.5-167.4-63.1-172.1178.6-174.40114.5R400 A434R400-K403 PolarHBondContact NH1-O 3.04Å; R400-K403 PolarHBondContact NH2-O 3.41Å; K403-A434 WeakPolarHBondContact O-CA 3.21Å; K403-A434 VanDerWaalsContact O-CB 3.27Å; K403-A434 WeakPolarHBondContact O-CB 3.39Å
404N93.6Very high89.8Confident34 Ų3451 Ų5118%0.18230%0.301CS..THydrogen-bonded Turntrans-142.333-171.660.3-45.2000114R430 V431 T433N404-R430 WeakPolarHBondContact O-CA 3.4Å; N404-V431 PolarHBondContact ND2-O 3.2Å; N404-V431 PolarHBondContact O-N 3Å; N404-T433 WeakPolarHBondContact CB-O 3.04Å
405N93.8Very high90Very high27 Ų2750.5 Ų50.514%0.14430%0.296CS..EExtended strand (participates in β ladder)trans-126.2145.7175.5-24.6-90.8000111.9R400 V401 L428 I429 R430R400-N405 PolarHBondContact NH1-O 2.97Å; V401-N405 PolarHBondContact N-O 3.03Å; V401-N405 VanDerWaalsContact O-CB 3.31Å; V401-N405 WeakPolarHBondContact O-CB 3.38Å; V401-N405 PolarHBondContact O-ND2 2.76Å; V401-N405 VanDerWaalsContact O-O 3.12Å; N405-L428 HydrophobicContact CB-CD1 4.16Å; N405-L428 HydrophobicContact CB-CD2 3.82Å; N405-L428 HydrophobicContact CB-CG 3.91Å; N405-I429 CarbonylContact C-O 3.33Å; N405-I429 VanDerWaalsContact CA-O 3.25Å; N405-I429 WeakPolarHBondContact CA-O 2.95Å; N405-R430 WeakPolarHBondContact OD1-CB 3.48Å; N405-R430 WeakPolarHBondContact OD1-CD 3.43Å; N405-R430 VanDerWaalsContact OD1-CG 3.26Å; N405-R430 WeakPolarHBondContact OD1-CG 3.39Å
406V94.6Very high89.8Confident0 Ų046.5 Ų46.50%027%0.271CS..EExtended strand (participates in β ladder)trans-118.5124.3169.8-172.70000107.2V408 I429 A437 L440 H441 L444V406-V408 HydrophobicContact CG1-CG2 4.28Å; V406-I429 PolarHBondContact N-O 2.89Å; V406-I429 PolarHBondContact O-N 2.77Å; V406-A437 HydrophobicContact CG2-CB 4.03Å; V406-A437 VanDerWaalsContact CG2-O 3.24Å; V406-A437 WeakPolarHBondContact CG2-O 3.42Å; V406-L440 HydrophobicContact CB-CD2 4.45Å; V406-L440 HydrophobicContact CG2-CB 4.39Å; V406-L440 HydrophobicContact CG2-CD2 4.1Å; V406-L440 HydrophobicContact CG2-CG 4.3Å; V406-H441 HydrophobicContact CG1-CB 4.36Å; V406-H441 HydrophobicContact CG2-CB 4.26Å; V406-L444 HydrophobicContact CG1-CD1 4.49Å
407M93.1Very high89.5Confident50 Ų5048.1 Ų48.125%0.24628%0.279CS..EExtended strand (participates in β ladder)trans-96.6131.2174.3-176.9175.165.200109.5F355 C398 S399 V401 P426 L427F355-M407 HydrophobicContact CZ-SD 4.45Å; C398-M407 CarbonylContact C-O 3.55Å; C398-M407 WeakPolarHBondContact CA-O 3.4Å; S399-M407 PolarHBondContact N-O 2.71Å; S399-M407 PolarHBondContact O-N 2.89Å; S399-M407 WeakPolarHBondContact OG-CE 2.81Å; S399-M407 PolarHBondContact OG-O 3.27Å; V401-M407 HydrophobicContact CG2-CB 3.63Å; V401-M407 HydrophobicContact CG2-CE 4.21Å; M407-P426 HydrophobicContact SD-CB 4.32Å; M407-L427 CarbonylContact C-O 3.57Å; M407-L427 VanDerWaalsContact CA-O 3.31Å; M407-L427 WeakPolarHBondContact CA-O 3.29Å; M407-L427 WeakPolarHBondContact CG-O 3.46Å
408V93Very high89.1Confident1 Ų152 Ų521%0.00630%0.296CS..EExtended strand (participates in β ladder)trans-128.3131.9-177.9172.40000108.7L396 P397 C398 V406 C410 L427 I429 L444L396-V408 HydrophobicContact CD1-CG1 3.75Å; L396-V408 HydrophobicContact CD2-CG1 3.9Å; L396-V408 HydrophobicContact CG-CG1 3.96Å; P397-V408 WeakPolarHBondContact O-CA 3.2Å; C398-V408 HydrophobicContact CB-CG2 4.23Å; V406-V408 HydrophobicContact CG1-CG2 4.28Å; V408-C410 HydrophobicContact CG1-CB 4.44Å; V408-L427 PolarHBondContact N-O 3.09Å; V408-L427 PolarHBondContact O-N 2.81Å; V408-I429 HydrophobicContact CG2-CD1 4.05Å; V408-L444 HydrophobicContact CG2-CD1 4.11Å
409V92.3Very high88.5Confident49 Ų4959.2 Ų59.230%0.29733%0.326SS..EExtended strand (participates in β ladder)trans-103.5114.4175.2-175.90000109.6P397 A424 P426P397-V409 HydrophobicContact CB-CB 4.26Å; P397-V409 HydrophobicContact CB-CG2 4.44Å; P397-V409 WeakPolarHBondContact CD-O 3.31Å; P397-V409 HydrophobicContact CG-CB 4.14Å; P397-V409 PolarHBondContact O-N 3.04Å; V409-A424 HydrophobicContact CG1-CB 4.09Å; V409-P426 HydrophobicContact CG2-CB 4.33Å; V409-P426 HydrophobicContact CG2-CG 4.41Å
410C90.3Very high87.8Confident14 Ų1461.8 Ų61.810%0.09534%0.336CS..EExtended strand (participates in β ladder)trans-154.1166.3179.860.90000111.4I390 L396 V408 P412 A424 V425I390-C410 HydrophobicContact CD1-CB 3.92Å; I390-C410 VanDerWaalsContact CD1-SG 3.55Å; L396-C410 HydrophobicContact CD1-CB 4.43Å; V408-C410 HydrophobicContact CG1-CB 4.44Å; C410-P412 WeakPolarHBondContact O-CD 3.45Å; C410-A424 CarbonylContact O-C 3.44Å; C410-A424 WeakPolarHBondContact O-CA 3.47Å; C410-V425 PolarHBondContact N-O 2.87Å; C410-V425 PolarHBondContact O-N 3.02Å
411V91.3Very high87.2Confident66 Ų6661.7 Ų61.740%0.434%0.344SS..  trans-77.2117.9170.3-177.60000107.9P421 A424V411-P421 VanDerWaalsContact CG1-O 3.26Å; V411-P421 WeakPolarHBondContact CG1-O 3.22Å; V411-A424 HydrophobicContact CG2-CB 4.25Å
412P88.6Confident86.7Confident5 Ų564.2 Ų64.23%0.03237%0.365CS..  trans-76.9129.9-176.430.5-33.5000111L388 C410 P414 P415 V416 V425L388-P412 HydrophobicContact CD1-CB 4.25Å; C410-P412 WeakPolarHBondContact O-CD 3.45Å; P412-P414 CarbonylContact C-O 3.6Å; P412-P414 CarbonylContact O-C 3.55Å; P412-P415 VanDerWaalsContact O-CA 3.3Å; P412-P415 WeakPolarHBondContact O-CA 2.94Å; P412-V416 HydrophobicContact CB-CG2 3.75Å; P412-V416 HydrophobicContact CG-CB 4.38Å; P412-V416 HydrophobicContact CG-CG2 3.74Å; P412-V425 HydrophobicContact CG-CB 4.33Å; P412-V425 HydrophobicContact CG-CG2 4.07Å
413N90.2Very high86.6Confident82 Ų8265.1 Ų65.144%0.43936%0.358SS..SBendtrans-124.9121173.117440.9000108.7L388 N389L388-N413 CarbonylContact C-O 3.34Å; L388-N413 VanDerWaalsContact CA-O 3.31Å; L388-N413 WeakPolarHBondContact CA-O 2.98Å; N389-N413 PolarHBondContact N-O 3.03Å; N389-N413 WeakPolarHBondContact O-CB 3.4Å; N389-N413 PolarHBondContact O-ND2 2.68Å
414P87.3Confident86.5Confident54 Ų5459 Ų5935%0.35134%0.341SS..SBendcis-61.5152.5-5.527.3-35.2000112K358 I386 P412K358-P414 PolarHBondContact NZ-O 2.64Å; I386-P414 WeakPolarHBondContact O-CD 3.22Å; P412-P414 CarbonylContact C-O 3.6Å; P412-P414 CarbonylContact O-C 3.55Å
415P87.3Confident86.4Confident58 Ų5858.7 Ų58.738%0.37734%0.34SS..  trans-51.8159.7176.6-29.637.2000114.1P412 P421P412-P415 VanDerWaalsContact O-CA 3.3Å; P412-P415 WeakPolarHBondContact O-CA 2.94Å; P415-P421 HydrophobicContact CB-CB 3.92Å; P415-P421 HydrophobicContact CG-CB 3.7Å
416V81.1Confident86.3Confident36 Ų3659.3 Ų59.322%0.21835%0.345CS..SBendtrans-110.2-17.4179.3-1750000112.3Y349 K358 P412Y349-V416 HydrophobicContact CD1-CG1 3.79Å; Y349-V416 HydrophobicContact CD2-CG1 3.43Å; Y349-V416 VanDerWaalsContact CD2-CG1 3.43Å; Y349-V416 HydrophobicContact CE1-CG1 3.76Å; Y349-V416 HydrophobicContact CE2-CG1 3.4Å; Y349-V416 HydrophobicContact CG-CG1 3.62Å; K358-V416 HydrophobicContact CD-CG2 4Å; P412-V416 HydrophobicContact CB-CG2 3.75Å; P412-V416 HydrophobicContact CG-CB 4.38Å; P412-V416 HydrophobicContact CG-CG2 3.74Å
417D78.3Confident86.3Confident38 Ų3859.3 Ų59.320%0.20335%0.346CS..  trans-146.4121.1171.6-162.3-48.8000109K351 K419 N420K351-D417 IonicContact NZ-OD2 3.86Å; K351-D417 PolarHBondContact NZ-OD2 2.93Å; D417-K419 PolarHBondContact O-N 3.34Å; D417-K419 VanDerWaalsContact O-N 3.11Å; D417-K419 VanDerWaalsContact OD1-CB 3.26Å; D417-K419 WeakPolarHBondContact OD1-CB 3.4Å; D417-K419 WeakPolarHBondContact OD1-CD 3.47Å; D417-K419 VanDerWaalsContact OD1-CG 3.24Å; D417-K419 WeakPolarHBondContact OD1-CG 3.41Å; D417-K419 PolarHBondContact OD1-N 2.81Å; D417-N420 PolarHBondContact O-N 3.07Å
418D78.2Confident86.4Confident155 Ų15557.9 Ų57.983%0.82934%0.339SS*.THydrogen-bonded Turntrans-62.1-19-177.2-50.3-63.4000112.8N420 P421D418-N420 VanDerWaalsContact C-N 3.33Å; D418-P421 WeakPolarHBondContact O-CD 3.13Å
419K76.4Confident86.5Confident168 Ų16857.9 Ų57.973%0.7334%0.339SS*.THydrogen-bonded Turntrans-72.8-25.5177-60.4169.3-1731730112.9D417D417-K419 PolarHBondContact O-N 3.34Å; D417-K419 VanDerWaalsContact O-N 3.11Å; D417-K419 VanDerWaalsContact OD1-CB 3.26Å; D417-K419 WeakPolarHBondContact OD1-CB 3.4Å; D417-K419 WeakPolarHBondContact OD1-CD 3.47Å; D417-K419 VanDerWaalsContact OD1-CG 3.24Å; D417-K419 WeakPolarHBondContact OD1-CG 3.41Å; D417-K419 PolarHBondContact OD1-N 2.81Å
420N76Confident86.6Confident99 Ų9961.3 Ų61.353%0.52935%0.346SS..  trans-141.946.9-168.1-64.8110.3000113.9D417 D418 S422 V423D417-N420 PolarHBondContact O-N 3.07Å; D418-N420 VanDerWaalsContact C-N 3.33Å; N420-S422 PolarHBondContact O-N 3.07Å; N420-S422 VanDerWaalsContact O-N 3.1Å; N420-V423 HydrophobicContact CB-CB 4.32Å; N420-V423 HydrophobicContact CB-CG2 3.88Å; N420-V423 PolarHBondContact O-N 3.09Å; N420-V423 VanDerWaalsContact O-N 3.12Å
421P78Confident86.9Confident68 Ų6860.9 Ų60.944%0.44234%0.343SS..THydrogen-bonded Turntrans-65.8-18.9-169.227.9-37.3000115.1V411 P415 D418V411-P421 VanDerWaalsContact CG1-O 3.26Å; V411-P421 WeakPolarHBondContact CG1-O 3.22Å; P415-P421 HydrophobicContact CB-CB 3.92Å; P415-P421 HydrophobicContact CG-CB 3.7Å; D418-P421 WeakPolarHBondContact O-CD 3.13Å
422S79.6Confident87Confident105 Ų10565.9 Ų65.973%0.73436%0.36SS*.THydrogen-bonded Turntrans-96.2-0.2179.8-161.10000113.6N420N420-S422 PolarHBondContact O-N 3.07Å; N420-S422 VanDerWaalsContact O-N 3.1Å
423V86.7Confident87.2Confident79 Ų7968.1 Ų68.148%0.47937%0.373SS..SBendtrans-84.2132.9-178.3179.20000110.1N420 V425N420-V423 HydrophobicContact CB-CB 4.32Å; N420-V423 HydrophobicContact CB-CG2 3.88Å; N420-V423 PolarHBondContact O-N 3.09Å; N420-V423 VanDerWaalsContact O-N 3.12Å; V423-V425 PolarHBondContact O-N 3.34Å
424A87.4Confident87.4Confident52 Ų5266.4 Ų66.443%0.4337%0.37SS..  trans-70.5123173.100000110.5V409 C410 V411V409-A424 HydrophobicContact CG1-CB 4.09Å; C410-A424 CarbonylContact O-C 3.44Å; C410-A424 WeakPolarHBondContact O-CA 3.47Å; V411-A424 HydrophobicContact CG2-CB 4.25Å
425V90.9Very high87.7Confident27 Ų2770.6 Ų70.616%0.16439%0.386CS..EExtended strand (participates in β ladder)trans-108135.4-177-179.70000109.4C410 P412 V423 L427C410-V425 PolarHBondContact N-O 2.87Å; C410-V425 PolarHBondContact O-N 3.02Å; P412-V425 HydrophobicContact CG-CB 4.33Å; P412-V425 HydrophobicContact CG-CG2 4.07Å; V423-V425 PolarHBondContact O-N 3.34Å; V425-L427 HydrophobicContact CG1-CD2 4.5Å; V425-L427 PolarHBondContact O-N 3.24Å; V425-L427 VanDerWaalsContact O-N 3.11Å
426P92.4Very high88Confident39 Ų3968.8 Ų68.825%0.25337%0.372SS..EExtended strand (participates in β ladder)trans-65.8108.7166.7-19.832.9000110.4K350 M407 V409K350-P426 HydrophobicContact CB-CB 4.06Å; K350-P426 HydrophobicContact CB-CG 4.35Å; K350-P426 HydrophobicContact CD-CB 4.47Å; K350-P426 HydrophobicContact CD-CG 4.41Å; K350-P426 PolarHBondContact N-O 3.15Å; M407-P426 HydrophobicContact SD-CB 4.32Å; V409-P426 HydrophobicContact CG2-CB 4.33Å; V409-P426 HydrophobicContact CG2-CG 4.41Å
427L94Very high88.6Confident1 Ų167 Ų671%0.00536%0.362CS..EExtended strand (participates in β ladder)trans-92.2145.7169-61179.9000109.5F348 L388 M407 V408 V425F348-L427 CarbonylContact O-C 3.44Å; F348-L427 VanDerWaalsContact O-CA 3.28Å; F348-L427 WeakPolarHBondContact O-CA 3.25Å; L388-L427 HydrophobicContact CD1-CD1 3.85Å; L388-L427 HydrophobicContact CD2-CD1 3.7Å; L388-L427 HydrophobicContact CG-CD1 4.45Å; M407-L427 CarbonylContact C-O 3.57Å; M407-L427 VanDerWaalsContact CA-O 3.31Å; M407-L427 WeakPolarHBondContact CA-O 3.29Å; M407-L427 WeakPolarHBondContact CG-O 3.46Å; V408-L427 PolarHBondContact N-O 3.09Å; V408-L427 PolarHBondContact O-N 2.81Å; V425-L427 HydrophobicContact CG1-CD2 4.5Å; V425-L427 PolarHBondContact O-N 3.24Å; V425-L427 VanDerWaalsContact O-N 3.11Å
428L94.7Very high89.3Confident19 Ų1969 Ų6910%0.09937%0.372CS..EExtended strand (participates in β ladder)trans-123.4116.5174.4179.8147.7000108.7F348 F355 V401 N405 R430F348-L428 HydrophobicContact CB-CB 4.32Å; F348-L428 HydrophobicContact CB-CD2 4.44Å; F348-L428 HydrophobicContact CD2-CD2 3.76Å; F348-L428 HydrophobicContact CE2-CD2 4.45Å; F348-L428 HydrophobicContact CG-CD2 4.4Å; F348-L428 PolarHBondContact N-O 3.38Å; F348-L428 PolarHBondContact O-N 3.26Å; F355-L428 HydrophobicContact CD1-CB 4.07Å; F355-L428 HydrophobicContact CE1-CB 3.74Å; F355-L428 HydrophobicContact CE1-CD1 4.17Å; F355-L428 HydrophobicContact CZ-CD1 4.18Å; V401-L428 HydrophobicContact CG1-CD1 4.49Å; N405-L428 HydrophobicContact CB-CD1 4.16Å; N405-L428 HydrophobicContact CB-CD2 3.82Å; N405-L428 HydrophobicContact CB-CG 3.91Å; L428-R430 HydrophobicContact CD2-CB 4.41Å
429I95.6Very high90.1Very high1 Ų165.8 Ų65.81%0.00535%0.352CS..EExtended strand (participates in β ladder)trans-97.1115.8-179.6-46.6176.9000107.2C345 L347 L363 M375 N405 V406 V408 L440C345-I429 HydrophobicContact CB-CG2 3.72Å; L347-I429 HydrophobicContact CD1-CG1 3.87Å; L363-I429 HydrophobicContact CD1-CD1 3.98Å; L363-I429 HydrophobicContact CD1-CG2 4.18Å; M375-I429 HydrophobicContact CE-CD1 4.12Å; M375-I429 HydrophobicContact SD-CD1 4.38Å; N405-I429 CarbonylContact C-O 3.33Å; N405-I429 VanDerWaalsContact CA-O 3.25Å; N405-I429 WeakPolarHBondContact CA-O 2.95Å; V406-I429 PolarHBondContact N-O 2.89Å; V406-I429 PolarHBondContact O-N 2.77Å; V408-I429 HydrophobicContact CG2-CD1 4.05Å; I429-L440 HydrophobicContact CB-CD2 4.41Å; I429-L440 HydrophobicContact CD1-CD2 4.4Å; I429-L440 HydrophobicContact CG2-CD2 3.91Å
430R94.5Very high90.8Very high121 Ų12157.8 Ų57.846%0.45732%0.318SS..EExtended strand (participates in β ladder)trans-106.7125.6176.7-179172.2176.2-173.6-3.7110.4C345 K346 F348 N404 N405 L428C345-R430 CarbonylContact C-O 3.6Å; C345-R430 VanDerWaalsContact CA-O 3.22Å; C345-R430 WeakPolarHBondContact CA-O 3.36Å; K346-R430 PolarHBondContact N-O 2.78Å; K346-R430 PolarHBondContact O-N 2.79Å; F348-R430 HydrophobicContact CE2-CB 4.08Å; N404-R430 WeakPolarHBondContact O-CA 3.4Å; N405-R430 WeakPolarHBondContact OD1-CB 3.48Å; N405-R430 WeakPolarHBondContact OD1-CD 3.43Å; N405-R430 VanDerWaalsContact OD1-CG 3.26Å; N405-R430 WeakPolarHBondContact OD1-CG 3.39Å; L428-R430 HydrophobicContact CD2-CB 4.41Å
431V95.6Very high91.6Very high6 Ų655.8 Ų55.84%0.03631%0.305CS..EExtended strand (participates in β ladder)trans-112.5177.2178.7-69.60000110.9C345 N404 D436 A437 L440C345-V431 HydrophobicContact CB-CG1 3.85Å; N404-V431 PolarHBondContact ND2-O 3.2Å; N404-V431 PolarHBondContact O-N 3Å; V431-D436 HydrophobicContact CB-CB 3.89Å; V431-D436 HydrophobicContact CG2-CB 3.54Å; V431-A437 HydrophobicContact CG2-CB 3.5Å; V431-L440 HydrophobicContact CG1-CD2 4.29Å
432K93.4Very high92.3Very high171 Ų17159 Ų5974%0.74331%0.312SS*.SBendtrans-78.4-49-169-168.8176.2177.9-176.20112.6D436K432-D436 PolarHBondContact N-OD2 3.21Å
433T94.8Very high92.9Very high51 Ų5155.3 Ų55.331%0.31329%0.285SS..SBendtrans-97.5174.5178.180.90000111.7N404 E435 D436N404-T433 WeakPolarHBondContact CB-O 3.04Å; T433-E435 PolarHBondContact OG1-N 3.42Å; T433-D436 PolarHBondContact N-OD2 3.26Å; T433-D436 WeakPolarHBondContact OG1-CB 3.4Å; T433-D436 PolarHBondContact OG1-N 3.47Å; T433-D436 PolarHBondContact OG1-OD1 2.98Å; T433-D436 PolarHBondContact OG1-OD2 3.4Å
434A94.2Very high93Very high46 Ų4651.6 Ų51.638%0.3826%0.262SS..SBendtrans-77.4-42.1169.200000111.2R400 K403 D436 A437 D438R400-A434 PolarHBondContact NH2-O 2.87Å; K403-A434 WeakPolarHBondContact O-CA 3.21Å; K403-A434 VanDerWaalsContact O-CB 3.27Å; K403-A434 WeakPolarHBondContact O-CB 3.39Å; A434-D436 VanDerWaalsContact C-N 3.34Å; A434-D436 PolarHBondContact O-N 3.26Å; A434-A437 WeakPolarHBondContact O-CB 3.46Å; A434-A437 PolarHBondContact O-N 3.01Å; A434-D438 PolarHBondContact O-N 2.74Å; A434-D438 VanDerWaalsContact O-N 3.16Å
435E93.8Very high93.1Very high143 Ų14353.1 Ų53.167%0.66826%0.261SS*.Hα-helixtrans-55.7-45.5176.9-66.7146.3-160.100111.4T433 A437 D438 E439T433-E435 PolarHBondContact OG1-N 3.42Å; E435-A437 PolarHBondContact O-N 2.84Å; E435-A437 VanDerWaalsContact O-N 3.1Å; E435-D438 PolarHBondContact O-N 3.29Å; E435-E439 WeakPolarHBondContact O-CB 3.11Å; E435-E439 WeakPolarHBondContact O-CG 3.12Å; E435-E439 PolarHBondContact O-N 3.25Å
436D92.9Very high93Very high19 Ų1957.5 Ų57.510%0.10228%0.279CS..Hα-helixtrans-52-35.7175-65.1-13.2000112.3Y341 K343 V431 K432 T433 A434 L440Y341-D436 PolarHBondContact OH-O 3.25Å; K343-D436 WeakPolarHBondContact CE-OD1 3.3Å; K343-D436 IonicContact NZ-OD1 3.14Å; K343-D436 PolarHBondContact NZ-OD1 2.97Å; V431-D436 HydrophobicContact CB-CB 3.89Å; V431-D436 HydrophobicContact CG2-CB 3.54Å; K432-D436 PolarHBondContact N-OD2 3.21Å; T433-D436 PolarHBondContact N-OD2 3.26Å; T433-D436 WeakPolarHBondContact OG1-CB 3.4Å; T433-D436 PolarHBondContact OG1-N 3.47Å; T433-D436 PolarHBondContact OG1-OD1 2.98Å; T433-D436 PolarHBondContact OG1-OD2 3.4Å; A434-D436 VanDerWaalsContact C-N 3.34Å; A434-D436 PolarHBondContact O-N 3.26Å; D436-L440 VanDerWaalsContact O-CB 3.23Å; D436-L440 WeakPolarHBondContact O-CB 3.4Å; D436-L440 PolarHBondContact O-N 2.92Å
437A93.3Very high92.7Very high0 Ų059 Ų590%028%0.282CS..Hα-helixtrans-84.2-29-176.400000111.9R400 V406 V431 A434 E435 H441R400-A437 PolarHBondContact NE-O 2.9Å; V406-A437 HydrophobicContact CG2-CB 4.03Å; V406-A437 VanDerWaalsContact CG2-O 3.24Å; V406-A437 WeakPolarHBondContact CG2-O 3.42Å; V431-A437 HydrophobicContact CG2-CB 3.5Å; A434-A437 WeakPolarHBondContact O-CB 3.46Å; A434-A437 PolarHBondContact O-N 3.01Å; E435-A437 PolarHBondContact O-N 2.84Å; E435-A437 VanDerWaalsContact O-N 3.1Å; A437-H441 VanDerWaalsContact O-CB 3.24Å; A437-H441 WeakPolarHBondContact O-CB 3.4Å; A437-H441 PolarHBondContact O-N 3.36Å
438D93.7Very high92.1Very high78 Ų7861.2 Ų61.242%0.41729%0.291SS..Hα-helixtrans-76.5-39.8173.7-60.7-29.6000110.6R400 A434 E435 K442R400-D438 IonicContact CZ-OD1 2.76Å; R400-D438 IonicContact NE-OD1 3.7Å; R400-D438 PolarHBondContact NE-OD1 3.18Å; R400-D438 IonicContact NH2-OD1 3.77Å; R400-D438 PolarHBondContact NH2-OD1 2.9Å; R400-D438 IonicContact NH2-OD2 2.43Å; A434-D438 PolarHBondContact O-N 2.74Å; A434-D438 VanDerWaalsContact O-N 3.16Å; E435-D438 PolarHBondContact O-N 3.29Å; D438-K442 VanDerWaalsContact O-CB 3.28Å; D438-K442 WeakPolarHBondContact O-CB 3.32Å; D438-K442 PolarHBondContact O-N 2.88Å
439E93.4Very high90.4Very high88 Ų8864.2 Ų64.241%0.41133%0.327SS..Hα-helixtrans-53.8-58.5164.4-73.9179.5164.600110.8Y341 K343 E435 H441 K442 T443Y341-E439 HydrophobicContact CE2-CB 4.33Å; K343-E439 IonicContact NZ-OE2 2.97Å; K343-E439 PolarHBondContact NZ-OE2 2.82Å; E435-E439 WeakPolarHBondContact O-CB 3.11Å; E435-E439 WeakPolarHBondContact O-CG 3.12Å; E435-E439 PolarHBondContact O-N 3.25Å; E439-H441 VanDerWaalsContact C-N 3.31Å; E439-H441 PolarHBondContact O-N 3.33Å; E439-K442 PolarHBondContact O-N 3.34Å; E439-K442 VanDerWaalsContact O-N 3.17Å; E439-T443 WeakPolarHBondContact O-CB 3.32Å; E439-T443 PolarHBondContact O-N 2.93Å; E439-T443 PolarHBondContact O-OG1 2.72Å; E439-T443 VanDerWaalsContact O-OG1 3.09Å
440L92.6Very high90.2Very high1 Ų167.4 Ų67.41%0.00534%0.344CS..Hα-helixtrans-58.5-42.5-177.9176.861.4000111.9Y341 L363 V406 I429 V431 D436 L444Y341-L440 HydrophobicContact CE1-CD1 3.93Å; L363-L440 HydrophobicContact CD1-CD1 4.17Å; L363-L440 HydrophobicContact CD1-CD2 4.34Å; L363-L440 HydrophobicContact CD2-CD1 3.97Å; V406-L440 HydrophobicContact CB-CD2 4.45Å; V406-L440 HydrophobicContact CG2-CB 4.39Å; V406-L440 HydrophobicContact CG2-CD2 4.1Å; V406-L440 HydrophobicContact CG2-CG 4.3Å; I429-L440 HydrophobicContact CB-CD2 4.41Å; I429-L440 HydrophobicContact CD1-CD2 4.4Å; I429-L440 HydrophobicContact CG2-CD2 3.91Å; V431-L440 HydrophobicContact CG1-CD2 4.29Å; D436-L440 VanDerWaalsContact O-CB 3.23Å; D436-L440 WeakPolarHBondContact O-CB 3.4Å; D436-L440 PolarHBondContact O-N 2.92Å; L440-L444 HydrophobicContact CD1-CD1 3.95Å; L440-L444 HydrophobicContact CD1-CG 4.1Å; L440-L444 HydrophobicContact CG-CD1 4.04Å; L440-L444 WeakPolarHBondContact O-CB 3.38Å; L440-L444 VanDerWaalsContact O-CG 3.26Å; L440-L444 WeakPolarHBondContact O-CG 3.14Å; L440-L444 PolarHBondContact O-N 3.11Å
441H91.8Very high90Very high56 Ų5664.6 Ų64.626%0.25934%0.338SS..Hα-helixtrans-62.7-48.8176.5-178.5-100.5000111.4V406 A437 E439 T443 L444 E445V406-H441 HydrophobicContact CG1-CB 4.36Å; V406-H441 HydrophobicContact CG2-CB 4.26Å; A437-H441 VanDerWaalsContact O-CB 3.24Å; A437-H441 WeakPolarHBondContact O-CB 3.4Å; A437-H441 PolarHBondContact O-N 3.36Å; E439-H441 VanDerWaalsContact C-N 3.31Å; E439-H441 PolarHBondContact O-N 3.33Å; H441-T443 PolarHBondContact O-N 3.46Å; H441-L444 PolarHBondContact O-N 3.01Å; H441-E445 IonicContact NE2-OE2 3.64Å; H441-E445 PolarHBondContact NE2-OE2 3.11Å; H441-E445 WeakPolarHBondContact O-CB 3.3Å; H441-E445 PolarHBondContact O-N 3.04Å
442K93.1Very high89.6Confident137 Ų13767.8 Ų67.860%0.59635%0.354SS*.Hα-helixtrans-61-44.4177.4-178.2-172.9172.1-169.40112D438 E439 E445 E446D438-K442 VanDerWaalsContact O-CB 3.28Å; D438-K442 WeakPolarHBondContact O-CB 3.32Å; D438-K442 PolarHBondContact O-N 2.88Å; E439-K442 PolarHBondContact O-N 3.34Å; E439-K442 VanDerWaalsContact O-N 3.17Å; K442-E445 WeakPolarHBondContact O-CB 3.07Å; K442-E445 PolarHBondContact O-N 3.44Å; K442-E446 WeakPolarHBondContact O-CB 3.4Å; K442-E446 PolarHBondContact O-N 3.36Å
443T91.6Very high89.4Confident26 Ų2661.8 Ų61.816%0.1633%0.331CS..Hα-helixtrans-65.2-40.7178.2-580000111.1F340 L365 E439 H441 E446 K447F340-T443 HydrophobicContact CE2-CG2 3.99Å; L365-T443 HydrophobicContact CD1-CG2 3.73Å; E439-T443 WeakPolarHBondContact O-CB 3.32Å; E439-T443 PolarHBondContact O-N 2.93Å; E439-T443 PolarHBondContact O-OG1 2.72Å; E439-T443 VanDerWaalsContact O-OG1 3.09Å; H441-T443 PolarHBondContact O-N 3.46Å; T443-E446 PolarHBondContact O-N 3.39Å; T443-K447 HydrophobicContact CG2-CG 4.19Å; T443-K447 VanDerWaalsContact O-CB 3.24Å; T443-K447 WeakPolarHBondContact O-CB 3.44Å; T443-K447 WeakPolarHBondContact O-CG 3.26Å; T443-K447 PolarHBondContact O-N 3.43Å
444L90.1Very high89.1Confident1 Ų162.4 Ų62.41%0.00533%0.333CS..Hα-helixtrans-64-39.7173-73171.1000112L365 M375 V392 V406 V408 L440 H441 K447 K448L365-L444 HydrophobicContact CD1-CD2 4.49Å; L365-L444 HydrophobicContact CD2-CD2 4.11Å; M375-L444 HydrophobicContact SD-CD2 3.84Å; V392-L444 HydrophobicContact CG1-CD2 4.49Å; V392-L444 HydrophobicContact CG2-CD2 4.33Å; V406-L444 HydrophobicContact CG1-CD1 4.49Å; V408-L444 HydrophobicContact CG2-CD1 4.11Å; L440-L444 HydrophobicContact CD1-CD1 3.95Å; L440-L444 HydrophobicContact CD1-CG 4.1Å; L440-L444 HydrophobicContact CG-CD1 4.04Å; L440-L444 WeakPolarHBondContact O-CB 3.38Å; L440-L444 VanDerWaalsContact O-CG 3.26Å; L440-L444 WeakPolarHBondContact O-CG 3.14Å; L440-L444 PolarHBondContact O-N 3.11Å; H441-L444 PolarHBondContact O-N 3.01Å; L444-K447 PolarHBondContact O-N 2.84Å; L444-K448 WeakPolarHBondContact O-CG 3.48Å; L444-K448 PolarHBondContact O-N 2.88Å
445E88.8Confident88.7Confident85 Ų8563.5 Ų63.540%0.39733%0.329SS..Hα-helixtrans-62.5-46.8175.9-160.296.4-96.800112H441 K442 K447 K448H441-E445 IonicContact NE2-OE2 3.64Å; H441-E445 PolarHBondContact NE2-OE2 3.11Å; H441-E445 WeakPolarHBondContact O-CB 3.3Å; H441-E445 PolarHBondContact O-N 3.04Å; K442-E445 WeakPolarHBondContact O-CB 3.07Å; K442-E445 PolarHBondContact O-N 3.44Å; E445-K447 VanDerWaalsContact C-N 3.33Å; E445-K447 PolarHBondContact O-N 3.16Å; E445-K448 IonicContact OE1-NZ 2.64Å; E445-K448 PolarHBondContact OE1-NZ 2.6Å
446E89.6Confident88.4Confident119 Ų11957.9 Ų57.956%0.55631%0.305SS*.Hα-helixtrans-69.2-28.3-179.6-165.7-163.6114.800112.9K442 T443K442-E446 WeakPolarHBondContact O-CB 3.4Å; K442-E446 PolarHBondContact O-N 3.36Å; T443-E446 PolarHBondContact O-N 3.39Å
447K85.6Confident88Confident69 Ų6960.8 Ų60.830%0.332%0.321SS..THydrogen-bonded Turntrans-99.515.7-175.6-59.9-48.4-174.4-153.50114.3F340 T373 T443 L444 E445 G449F340-K447 HydrophobicContact CE2-CG 4.32Å; F340-K447 HydrophobicContact CZ-CG 4.07Å; T373-K447 HydrophobicContact CG2-CB 4.07Å; T373-K447 PolarHBondContact OG1-O 3.29Å; T443-K447 HydrophobicContact CG2-CG 4.19Å; T443-K447 VanDerWaalsContact O-CB 3.24Å; T443-K447 WeakPolarHBondContact O-CB 3.44Å; T443-K447 WeakPolarHBondContact O-CG 3.26Å; T443-K447 PolarHBondContact O-N 3.43Å; L444-K447 PolarHBondContact O-N 2.84Å; E445-K447 VanDerWaalsContact C-N 3.33Å; E445-K447 PolarHBondContact O-N 3.16Å; K447-G449 VanDerWaalsContact C-N 3.31Å; K447-G449 PolarHBondContact O-N 2.92Å
448K81Confident87.6Confident48 Ų4865.9 Ų65.921%0.20935%0.348CS..  trans-7173.9168-82.8169.9-170-175.20112.3S394 L396 C398 L444 E445S394-K448 PolarHBondContact OG-O 3.26Å; L396-K448 WeakPolarHBondContact O-CE 3.27Å; L396-K448 PolarHBondContact O-NZ 3.25Å; L396-K448 VanDerWaalsContact O-NZ 3.16Å; C398-K448 VanDerWaalsContact SG-CE 3.51Å; C398-K448 PolarHBondContact SG-NZ 3.19Å; L444-K448 WeakPolarHBondContact O-CG 3.48Å; L444-K448 PolarHBondContact O-N 2.88Å; E445-K448 IonicContact OE1-NZ 2.64Å; E445-K448 PolarHBondContact OE1-NZ 2.6Å
449G59.9Low87Confident83 Ų8364.8 Ų64.886%0.85634%0.341SS*.  trans-117.60175.200000112.5K447K447-G449 VanDerWaalsContact C-N 3.31Å; K447-G449 PolarHBondContact O-N 2.92Å

Retrieved 449 of 449 residues in 449.2 ms (Link to these results)

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