A0A060XUA3_ONCMY Loading...

Ran guanine nucleotide release factor

AlphaFold DB , UniProt , Accession A0A060XUA3, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene rangrf, Length 248 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
1M34.2Very low29.6Very low246 Ų246176 Ų176100%1.21287%0.865SS**  0110.20-94.6172.6170.900107.2
2A27.6Very low29.7Very low104 Ų104173.1 Ų173.186%0.8686%0.856SS**PPolyproline II helixtrans-87.5131.5179.600000109.5
3V31.9Very low29.6Very low134 Ų134175.5 Ų175.581%0.81285%0.85SS**PPolyproline II helixtrans-85.3129.6174.5-169.60000107.8
4P30.3Very low29.6Very low114 Ų114175.2 Ų175.274%0.7485%0.853SS**PPolyproline II helixtrans-81.5136.3-173.731.7-31.6000111.6
5F25.8Very low29.4Very low209 Ų209176.4 Ų176.492%0.91785%0.853SS**PPolyproline II helixtrans-63.6128169.2-90-94.1000110.7
6R27.3Very low29.4Very low233 Ų233172.9 Ų172.988%0.87985%0.852SS**PPolyproline II helixtrans-83.5136.4166.5-80.3-174.6178.1-1630.9109.7
7P25.8Very low29.4Very low119 Ų119166.3 Ų166.377%0.77384%0.839SS**PPolyproline II helixtrans-75131.1172.930-29.8000110R9P7-R9 PolarHBondContact O-N 2.8Å
8L31.1Very low29.4Very low178 Ų178167.1 Ų167.193%0.93284%0.836SS**PPolyproline II helixtrans-62119.8171.2-86.9146.6000109.6
9R28.3Very low29.2Very low223 Ų223165.3 Ų165.384%0.84284%0.835SS**PPolyproline II helixtrans-69.2128.8168.3-72.1-175-164.1-159.42.7108.7P7 E11P7-R9 PolarHBondContact O-N 2.8Å; R9-E11 PolarHBondContact O-N 3.24Å
10R33.8Very low29.1Very low227 Ų227159.9 Ų159.986%0.85781%0.813SS**  trans-64.3109157.4-100.6-177.5173.1161.8-2.7107.9
11E30.1Very low29.1Very low149 Ų149158.1 Ų158.170%0.69680%0.804SS**  trans-114.799154.8-75.5-166145.600107.8R9 R13R9-E11 PolarHBondContact O-N 3.24Å; E11-R13 PolarHBondContact O-N 3.23Å; E11-R13 VanDerWaalsContact O-N 3.14Å
12D30.7Very low28.9Very low141 Ų141154.8 Ų154.875%0.75478%0.784SS**  trans-68.399.8166.3-67.3-43.9000108.1
13R27.7Very low28.9Very low205 Ų205153.2 Ų153.277%0.77477%0.766SS**  trans-105.1101.4157.6-74.1-165.4-164.7-160.55.6108.8E11 F15E11-R13 PolarHBondContact O-N 3.23Å; E11-R13 VanDerWaalsContact O-N 3.14Å; R13-F15 PolarHBondContact O-N 3.25Å
14L30.5Very low28.9Very low171 Ų171151.7 Ų151.790%0.89576%0.757SS**  trans-57.199.4164.9-87.3141000109.9
15F26.4Very low29Very low193 Ų193151.1 Ų151.185%0.84674%0.743SS**  trans-90.7110.5151.9-96.6-87.4000107.8R13 G17R13-F15 PolarHBondContact O-N 3.25Å; F15-G17 PolarHBondContact O-N 3.38Å
16S29.1Very low29.2Very low120 Ų120146.2 Ų146.284%0.83973%0.73SS**  trans-65.6125.4174.6-178.90000109.7
17G29.1Very low29.4Very low61 Ų61137.4 Ų137.463%0.62970%0.704SS**SBendtrans9068.6165.300000115.9F15F15-G17 PolarHBondContact O-N 3.38Å
18F29.1Very low29.6Very low180 Ų180135.6 Ų135.679%0.78970%0.7SS**  trans-176.376.4145.6-104.3-76.3000108C20F18-C20 VanDerWaalsContact C-N 3.26Å; F18-C20 PolarHBondContact O-N 3.12Å
19T25.5Very low29.7Very low134 Ų134129.3 Ų129.382%0.82267%0.667SS**  trans-78.978.2172.8330000109.8L21T19-L21 PolarHBondContact O-N 3.01Å
20C28.8Very low30.2Very low57 Ų57128.6 Ų128.639%0.38567%0.67SS.*  trans-79.596.5155.6-160.20000105.9F18 F22F18-C20 VanDerWaalsContact C-N 3.26Å; F18-C20 PolarHBondContact O-N 3.12Å; C20-F22 VanDerWaalsContact C-N 3.34Å; C20-F22 HydrophobicContact CB-CE2 4.24Å; C20-F22 WeakPolarHBondContact O-CD2 3.49Å; C20-F22 VanDerWaalsContact O-CE2 3.31Å; C20-F22 WeakPolarHBondContact O-CE2 3.31Å; C20-F22 PolarHBondContact O-N 3.02Å
21L27.6Very low30.1Very low122 Ų122123.9 Ų123.964%0.63966%0.662SS**  trans-72.593.4-178.7-13587.6000108.6T19 S23T19-L21 PolarHBondContact O-N 3.01Å; L21-S23 PolarHBondContact O-N 3.39Å
22F30.8Very low30.1Very low177 Ų177119.9 Ų119.978%0.77666%0.661SS**  trans-59.4121.8172.1-65.1-88.5000109.2C20C20-F22 VanDerWaalsContact C-N 3.34Å; C20-F22 HydrophobicContact CB-CE2 4.24Å; C20-F22 WeakPolarHBondContact O-CD2 3.49Å; C20-F22 VanDerWaalsContact O-CE2 3.31Å; C20-F22 WeakPolarHBondContact O-CE2 3.31Å; C20-F22 PolarHBondContact O-N 3.02Å
23S28.3Very low29.9Very low70 Ų70116.5 Ų116.549%0.4965%0.648SS.*  trans-112.499.7163-64.40000108.9L21 F25L21-S23 PolarHBondContact O-N 3.39Å; S23-F25 VanDerWaalsContact CB-CD2 3.47Å; S23-F25 PolarHBondContact O-N 3.31Å
24V30.3Very low30Very low103 Ų103113.3 Ų113.362%0.62465%0.651SS**  trans-70.3103.4158.1175.50000105.7L37V24-L37 HydrophobicContact CG1-CD1 3.67Å; V24-L37 HydrophobicContact CG1-CD2 3.51Å; V24-L37 HydrophobicContact CG1-CG 3.6Å
25F33Very low30Very low102 Ų102106.4 Ų106.445%0.44762%0.616SS.*  trans-97.6110.8176-75.9-67.6000109.6S23 S27S23-F25 VanDerWaalsContact CB-CD2 3.47Å; S23-F25 PolarHBondContact O-N 3.31Å; F25-S27 PolarHBondContact O-N 2.79Å
26T29.6Very low30.4Very low106 Ų10699 Ų9965%0.6559%0.59SS**  trans-72.6110.2158.949.30000107.8L37T26-L37 HydrophobicContact CG2-CD1 3.68Å
27S32.8Very low30.7Very low47 Ų4796.9 Ų96.933%0.32957%0.569SS.*PPolyproline II helixtrans-90.2125.9167.8-168.60000108.5F25 V35F25-S27 PolarHBondContact O-N 2.79Å; S27-V35 VanDerWaalsContact O-CB 3.25Å; S27-V35 WeakPolarHBondContact O-CB 3.36Å; S27-V35 WeakPolarHBondContact O-CG2 3.2Å
28A28.4Very low31.7Very low82 Ų8295 Ų9568%0.67854%0.543SS*.BIsolated β-bridgetrans-94.3126.6172.900000108.9
29N35.1Very low32.2Very low45 Ų4588.8 Ų88.824%0.24152%0.519CS..PPolyproline II helixtrans-65.6154.1170.3-171.4-3.2000109.8N31 G32 V35 Y122N29-N31 PolarHBondContact O-N 3.09Å; N29-G32 PolarHBondContact O-N 2.8Å; N29-V35 HydrophobicContact CB-CG2 3.93Å; N29-Y122 PolarHBondContact ND2-OH 3.48Å; N29-Y122 VanDerWaalsContact ND2-OH 3.16Å
30K37Very low33.1Very low208 Ų20884.2 Ų84.290%0.90449%0.491SS*.THydrogen-bonded Turntrans-54.3-13.9175.6-72.4-179.8179.7172.20114
31N33.3Very low33.9Very low129 Ų12985.5 Ų85.569%0.6949%0.49SS*.THydrogen-bonded Turntrans-104.77.6-179.5-64.2-10.1000114.6N29 S33N29-N31 PolarHBondContact O-N 3.09Å; N31-S33 VanDerWaalsContact C-N 3.3Å; N31-S33 PolarHBondContact O-N 2.8Å
32G29.1Very low34.7Very low65 Ų6581.3 Ų81.367%0.6747%0.468SS*.  trans77.53.317300000116.3N29N29-G32 PolarHBondContact O-N 2.8Å
33S27.1Very low35Very low69 Ų6974.2 Ų74.248%0.48344%0.44SS..  trans-74.8131.1167.7-640000110.5N31 V35N31-S33 VanDerWaalsContact C-N 3.3Å; N31-S33 PolarHBondContact O-N 2.8Å; S33-V35 PolarHBondContact O-N 2.95Å
34V28.5Very low35.5Very low139 Ų13974 Ų7484%0.84244%0.438SS*.BIsolated β-bridgetrans-64.6110.7175.9-178.90000108.1
35V31.6Very low36.1Very low26 Ų2670.8 Ų70.816%0.15842%0.417CS..  trans-80.6135.2175.2-171.40000108.3S27 N29 S33S27-V35 VanDerWaalsContact O-CB 3.25Å; S27-V35 WeakPolarHBondContact O-CB 3.36Å; S27-V35 WeakPolarHBondContact O-CG2 3.2Å; N29-V35 HydrophobicContact CB-CG2 3.93Å; S33-V35 PolarHBondContact O-N 2.95Å
36A34.3Very low36.5Very low36 Ų3671.5 Ų71.530%0.29842%0.42SS..  trans-45141.717800000111.6R38A36-R38 VanDerWaalsContact C-N 3.27Å; A36-R38 PolarHBondContact O-N 3.48Å
37L34.6Very low36.8Very low76 Ų7669.7 Ų69.740%0.39841%0.411SS..  trans-62.985.5179.3-13878.5000108.7V24 T26 V39 Q91V24-L37 HydrophobicContact CG1-CD1 3.67Å; V24-L37 HydrophobicContact CG1-CD2 3.51Å; V24-L37 HydrophobicContact CG1-CG 3.6Å; T26-L37 HydrophobicContact CG2-CD1 3.68Å; L37-V39 PolarHBondContact O-N 2.95Å; L37-Q91 PolarHBondContact O-NE2 3.22Å
38R50.1Low37.2Very low23 Ų2372.2 Ų72.29%0.08742%0.42CS..  trans-74.6113178.9-78-169.3171.9149.110109.2A36 V40 E106 L108 D126A36-R38 VanDerWaalsContact C-N 3.27Å; A36-R38 PolarHBondContact O-N 3.48Å; R38-V40 HydrophobicContact CB-CG2 4.23Å; R38-V40 PolarHBondContact O-N 2.79Å; R38-E106 IonicContact CZ-OE2 2.63Å; R38-E106 IonicContact NE-OE1 3.26Å; R38-E106 IonicContact NE-OE2 2.83Å; R38-E106 PolarHBondContact NE-OE2 3.47Å; R38-E106 IonicContact NH2-OE2 3.96Å; R38-E106 PolarHBondContact NH2-OE2 3.41Å; R38-L108 VanDerWaalsContact NH2-CD1 3.32Å; R38-D126 IonicContact CZ-OD2 3.43Å; R38-D126 VanDerWaalsContact NH1-CG 3.32Å; R38-D126 IonicContact NH1-OD2 2.87Å; R38-D126 PolarHBondContact NH1-OD2 3.47Å; R38-D126 IonicContact NH2-OD2 3.84Å; R38-D126 PolarHBondContact NH2-OD2 3.09Å
39V40.1Very low37.7Very low48 Ų4874.2 Ų74.229%0.29142%0.416SS..  trans-77.866.3174.8-166.30000109.2L37 F41 R85L37-V39 PolarHBondContact O-N 2.95Å; V39-F41 PolarHBondContact O-N 2.85Å; V39-R85 VanDerWaalsContact CG1-NH1 3.3Å
40V44.9Very low37.7Very low38 Ų3881.6 Ų81.623%0.2345%0.445CS..  trans-9297.8166.9-160.40000108.4R38 N131R38-V40 HydrophobicContact CB-CG2 4.23Å; R38-V40 PolarHBondContact O-N 2.79Å; V40-N131 WeakPolarHBondContact CB-OD1 3.39Å; V40-N131 WeakPolarHBondContact CG1-OD1 3.39Å
41F44.9Very low37.7Very low85 Ų8578.3 Ų78.337%0.37344%0.437SS..  trans-173.685.3141.9-119.4-104.5000106.4V39 C43 V169 K171 F172V39-F41 PolarHBondContact O-N 2.85Å; F41-C43 HydrophobicContact CD1-CB 3.58Å; F41-C43 HydrophobicContact CE1-CB 4.16Å; F41-C43 PolarHBondContact O-N 2.8Å; F41-V169 HydrophobicContact CE2-CG1 4.47Å; F41-V169 HydrophobicContact CZ-CG1 4.45Å; F41-K171 HydrophobicContact CE1-CB 4.37Å; F41-K171 HydrophobicContact CE1-CD 3.74Å; F41-K171 HydrophobicContact CE1-CG 3.65Å; F41-K171 HydrophobicContact CZ-CB 4.46Å; F41-K171 HydrophobicContact CZ-CD 4.29Å; F41-K171 HydrophobicContact CZ-CG 3.73Å; F41-F172 HydrophobicContact CE1-CE2 4.37Å
42L44.6Very low37.8Very low34 Ų3477.7 Ų77.718%0.17844%0.443CS..  trans-79.162.9167.9-150.484.4000108.7L45 A95L42-L45 HydrophobicContact CD1-CD1 3.77Å; L42-L45 HydrophobicContact CD2-CD1 4.23Å; L42-L45 HydrophobicContact CG-CD1 3.96Å; L42-A95 HydrophobicContact CD2-CB 3.52Å
43C37.7Very low38Very low27 Ų2780.1 Ų80.118%0.18245%0.45CS..  trans-10512179.4-165.30000112.8F41 K171F41-C43 HydrophobicContact CD1-CB 3.58Å; F41-C43 HydrophobicContact CE1-CB 4.16Å; F41-C43 PolarHBondContact O-N 2.8Å; C43-K171 HydrophobicContact CB-CD 4.46Å; C43-K171 VanDerWaalsContact SG-CD 3.57Å; C43-K171 PolarHBondContact SG-NZ 3.21Å
44C38.9Very low38.3Very low65 Ų6581.8 Ų81.844%0.43946%0.461SS..  trans-144.133.8-175.3-1200000114.6K46C44-K46 VanDerWaalsContact C-N 3.29Å
45L41.9Very low38.7Very low37 Ų3785.6 Ų85.619%0.19446%0.46CS..G310 helixtrans-76.7-16.4169.2-116.787000113.7L42 C47 I81 A95L42-L45 HydrophobicContact CD1-CD1 3.77Å; L42-L45 HydrophobicContact CD2-CD1 4.23Å; L42-L45 HydrophobicContact CG-CD1 3.96Å; L45-C47 PolarHBondContact O-N 3.14Å; L45-I81 HydrophobicContact CD1-CD1 3.71Å; L45-I81 HydrophobicContact CD1-CG1 4.5Å; L45-I81 HydrophobicContact CD2-CD1 3.95Å; L45-I81 HydrophobicContact CG-CD1 4.33Å; L45-A95 HydrophobicContact CD1-CB 4.18Å; L45-A95 HydrophobicContact CD2-CB 3.53Å; L45-A95 HydrophobicContact CG-CB 4.45Å
46K41.5Very low38.7Very low116 Ų11691.7 Ų91.750%0.50449%0.489SS..G310 helixtrans-71.4-12.2173.5-67.6-170-179-170.70114C44 S212C44-K46 VanDerWaalsContact C-N 3.29Å; K46-S212 PolarHBondContact NZ-O 3.43Å
47C35.8Very low38.7Very low69 Ų6999.1 Ų99.147%0.46652%0.515SS..G310 helixtrans-92.1-9.1-178.4-144.60000114.1L45L45-C47 PolarHBondContact O-N 3.14Å
48L41.5Very low39.1Very low99 Ų99103.7 Ų103.752%0.51854%0.54SS..  trans-122.530.8-173.6-117.896.4000114.6K50 L84L48-K50 VanDerWaalsContact C-N 3.29Å; L48-K50 PolarHBondContact O-N 3.1Å; L48-L84 HydrophobicContact CD2-CB 4.28Å; L48-L84 HydrophobicContact CD2-CD1 4.18Å; L48-L84 HydrophobicContact CD2-CD2 3.72Å; L48-L84 HydrophobicContact CD2-CG 4.28Å
49Q39.3Very low38.3Very low125 Ų125106.3 Ų106.358%0.58457%0.566SS**  trans-76.981.7167.9-75.4-172.5-19.700110.8D97Q49-D97 PolarHBondContact NE2-O 3.09Å
50K35.8Very low38.6Very low199 Ų199111.7 Ų111.787%0.86560%0.599SS**  trans-162.849153.4-124.7173.7-166.3176.50114.4L48L48-K50 VanDerWaalsContact C-N 3.29Å; L48-K50 PolarHBondContact O-N 3.1Å
51L35.3Very low39.2Very low139 Ų139115.6 Ų115.673%0.72862%0.623SS**SBendtrans-133.4141.8164.7-75.9168.3000112.1
52S35.5Very low40.9Very low116 Ų116112.6 Ų112.681%0.81162%0.616SS**  trans-63.5139.9-152.2179.10000115.3S54S52-S54 PolarHBondContact O-N 3.1Å
53S34.3Very low43.1Very low116 Ų116114.9 Ų114.981%0.81162%0.622SS**  trans-81.1111.1170.9-177.30000110.5
54S33.6Very low45.7Very low104 Ų104117.7 Ų117.773%0.72764%0.64SS**  trans-101.9110.7163.663.30000109.8S52 M56S52-S54 PolarHBondContact O-N 3.1Å; S54-M56 PolarHBondContact O-N 3.1Å
55R35.5Very low48.3Very low219 Ų219114.7 Ų114.783%0.82662%0.62SS**  trans-70.1105.6179.6-162.5178.2-152.6-175.57.2110.5
56M32.6Very low50.7Low155 Ų155114.1 Ų114.176%0.76462%0.616SS**  trans-92.8123.6163.5-76.6-150.5-6600110.6S54 H76S54-M56 PolarHBondContact O-N 3.1Å; M56-H76 PolarHBondContact O-CE1 3.03Å; M56-H76 VanDerWaalsContact O-CE1 3.31Å
57K33.9Very low53Low192 Ų192113 Ų11384%0.83564%0.637SS**  trans-79.4148.7-179.3-66.5176.8178.2176.40111
58N42.6Very low55.6Low172 Ų172111 Ų11192%0.9263%0.629SS**  trans-18.6120.6172.7-83.3-8.4000116.9
59A33.8Very low58.1Low78 Ų78106.7 Ų106.765%0.64561%0.607SS**  trans-149.4137.7142.600000108.6V61A59-V61 HydrophobicContact CB-CG2 4.1Å; A59-V61 PolarHBondContact O-N 3.25Å
60T46.9Very low60.7Low161 Ų161100.8 Ų100.899%0.98858%0.58SS**  trans-66.852.2169.826.30000111.5
61V58.3Low63.6Low120 Ų12092 Ų9273%0.72754%0.543SS*.  trans-119119.5175.3-177.50000106A59A59-V61 HydrophobicContact CB-CG2 4.1Å; A59-V61 PolarHBondContact O-N 3.25Å
62G78.8Confident66.4Low22 Ų2285.3 Ų85.323%0.22751%0.508CS..PPolyproline II helixtrans-53.5141.6177.500000110.5A72G62-A72 CarbonylContact C-O 3.57Å; G62-A72 WeakPolarHBondContact CA-O 3.07Å
63R91.3Very high69.2Low81 Ų8183.3 Ų83.331%0.30649%0.491SS..EExtended strand (participates in β ladder)trans-63.2129.8175.2-173.5174.7-179.5154.9-2.7108.2S71 A72 I74 A78 D80 F94R63-S71 WeakPolarHBondContact O-CA 3.5Å; R63-A72 PolarHBondContact N-O 3.34Å; R63-A72 PolarHBondContact O-N 3.22Å; R63-I74 HydrophobicContact CB-CB 4.39Å; R63-I74 HydrophobicContact CB-CG1 3.95Å; R63-I74 HydrophobicContact CG-CG1 4.48Å; R63-A78 PolarHBondContact NH1-O 3.04Å; R63-A78 VanDerWaalsContact NH1-O 3.09Å; R63-D80 IonicContact CZ-OD2 3.72Å; R63-D80 VanDerWaalsContact NH2-CB 3.34Å; R63-D80 IonicContact NH2-OD2 3.07Å; R63-D80 PolarHBondContact NH2-OD2 2.99Å; R63-F94 VanDerWaalsContact CZ-CE1 3.49Å
64P92.9Very high71.8Confident87 Ų8778.7 Ų78.757%0.56546%0.457SS*.EExtended strand (participates in β ladder)trans-64.9142.7175.227.3-33.7000110.3L70P64-L70 CarbonylContact C-O 3.52Å; P64-L70 WeakPolarHBondContact CA-O 3.26Å
65L92.6Very high74.4Confident1 Ų174.6 Ų74.61%0.00543%0.428CS..EExtended strand (participates in β ladder)trans-127.6147.3176.1-57.7176.3000108G67 G68 A69 L70 A72 E92 F94 V105 L239L65-G67 PolarHBondContact O-N 2.84Å; L65-G68 CarbonylContact O-C 3.57Å; L65-G68 PolarHBondContact O-N 3.04Å; L65-A69 PolarHBondContact O-N 2.7Å; L65-L70 HydrophobicContact CB-CB 4.09Å; L65-L70 PolarHBondContact N-O 3.17Å; L65-L70 PolarHBondContact O-N 3.07Å; L65-L70 VanDerWaalsContact O-N 3.14Å; L65-A72 HydrophobicContact CD1-CB 4.05Å; L65-E92 HydrophobicContact CB-CG 4.33Å; L65-E92 HydrophobicContact CD2-CB 4.34Å; L65-E92 HydrophobicContact CD2-CG 4.22Å; L65-F94 HydrophobicContact CD2-CE2 3.73Å; L65-F94 HydrophobicContact CD2-CZ 3.53Å; L65-V105 HydrophobicContact CD1-CG1 4.4Å; L65-V105 HydrophobicContact CD1-CG2 4.21Å; L65-L239 HydrophobicContact CD1-CD1 4.14Å
66F92.4Very high76.5Confident25 Ų2571.8 Ų71.811%0.1142%0.424CS..G310 helixtrans53.454.8178.4-52.5-75.5000112.3G68 A69 L70 D89 E92 V105 L107 V246F66-G68 PolarHBondContact O-N 3.49Å; F66-G68 VanDerWaalsContact O-N 3.12Å; F66-A69 HydrophobicContact CB-CB 4.48Å; F66-A69 WeakPolarHBondContact O-CB 3.47Å; F66-A69 PolarHBondContact O-N 3.25Å; F66-L70 HydrophobicContact CD2-CB 4.38Å; F66-L70 HydrophobicContact CD2-CD1 3.82Å; F66-D89 WeakPolarHBondContact CD1-O 3.47Å; F66-E92 WeakPolarHBondContact CA-OE1 3.31Å; F66-E92 HydrophobicContact CD1-CG 4.11Å; F66-E92 HydrophobicContact CD2-CG 4.32Å; F66-E92 HydrophobicContact CE1-CG 3.77Å; F66-E92 HydrophobicContact CE2-CG 4.02Å; F66-E92 HydrophobicContact CG-CG 4.37Å; F66-E92 HydrophobicContact CZ-CB 4.48Å; F66-E92 HydrophobicContact CZ-CG 3.73Å; F66-E92 PolarHBondContact N-OE1 2.92Å; F66-V105 HydrophobicContact CE2-CG1 3.92Å; F66-V105 HydrophobicContact CZ-CG1 4.19Å; F66-L107 HydrophobicContact CD1-CD1 4.14Å; F66-L107 HydrophobicContact CD2-CD1 4.32Å; F66-L107 HydrophobicContact CE1-CD1 4.09Å; F66-L107 HydrophobicContact CE1-CG 3.97Å; F66-L107 HydrophobicContact CE2-CD1 4.26Å; F66-L107 HydrophobicContact CE2-CD2 3.9Å; F66-L107 HydrophobicContact CE2-CG 3.99Å; F66-L107 HydrophobicContact CG-CD1 4.26Å; F66-L107 HydrophobicContact CZ-CD1 4.14Å; F66-L107 HydrophobicContact CZ-CD2 4.02Å; F66-L107 HydrophobicContact CZ-CG 3.68Å; F66-V246 HydrophobicContact CB-CG2 3.81Å; F66-V246 HydrophobicContact CG-CG2 4.34Å
67G89.3Confident78.9Confident92 Ų9265.9 Ų65.995%0.94840%0.398SS*.G310 helixtrans66.513.1-177.800000114.8L65L65-G67 PolarHBondContact O-N 2.84Å
68G92.1Very high81.3Confident28 Ų2857.1 Ų57.129%0.28936%0.361SS..G310 helixtrans98.60.4-179.200000114.7L65 F66 L70L65-G68 CarbonylContact O-C 3.57Å; L65-G68 PolarHBondContact O-N 3.04Å; F66-G68 PolarHBondContact O-N 3.49Å; F66-G68 VanDerWaalsContact O-N 3.12Å; G68-L70 PolarHBondContact O-N 3.18Å
69A93.4Very high83.3Confident9 Ų953 Ų537%0.07434%0.335CS..THydrogen-bonded Turntrans-64.2-31175.400000112.8L65 F66 H242 D243 V246L65-A69 PolarHBondContact O-N 2.7Å; F66-A69 HydrophobicContact CB-CB 4.48Å; F66-A69 WeakPolarHBondContact O-CB 3.47Å; F66-A69 PolarHBondContact O-N 3.25Å; A69-H242 PolarHBondContact O-N 3.25Å; A69-D243 HydrophobicContact CB-CB 3.94Å; A69-D243 PolarHBondContact O-N 3.41Å; A69-D243 VanDerWaalsContact O-N 3.09Å; A69-V246 HydrophobicContact CB-CB 3.53Å; A69-V246 HydrophobicContact CB-CG1 3.97Å; A69-V246 HydrophobicContact CB-CG2 3.81Å
70L94.4Very high85.8Confident0 Ų050.4 Ų50.40%031%0.31CS..EExtended strand (participates in β ladder)trans-119.5162.9168.4-72.193.4000110.7P64 L65 F66 G68 L239 R240 L241 V246P64-L70 CarbonylContact C-O 3.52Å; P64-L70 WeakPolarHBondContact CA-O 3.26Å; L65-L70 HydrophobicContact CB-CB 4.09Å; L65-L70 PolarHBondContact N-O 3.17Å; L65-L70 PolarHBondContact O-N 3.07Å; L65-L70 VanDerWaalsContact O-N 3.14Å; F66-L70 HydrophobicContact CD2-CB 4.38Å; F66-L70 HydrophobicContact CD2-CD1 3.82Å; G68-L70 PolarHBondContact O-N 3.18Å; L70-L239 HydrophobicContact CD2-CD1 3.95Å; L70-L239 HydrophobicContact CD2-CG 4.36Å; L70-R240 CarbonylContact C-O 3.6Å; L70-R240 VanDerWaalsContact CA-O 3.22Å; L70-R240 WeakPolarHBondContact CA-O 3.38Å; L70-L241 HydrophobicContact CD1-CD1 4.06Å; L70-L241 HydrophobicContact CG-CD1 4.02Å; L70-V246 HydrophobicContact CD1-CG1 3.86Å; L70-V246 HydrophobicContact CD1-CG2 4.39Å
71S95.4Very high87.5Confident14 Ų1442.9 Ų42.910%0.09826%0.264CS..EExtended strand (participates in β ladder)trans-142.2149.2166.8720000111.6R63 L239 R240 H242R63-S71 WeakPolarHBondContact O-CA 3.5Å; S71-L239 CarbonylContact O-C 3.5Å; S71-L239 WeakPolarHBondContact O-CA 3.31Å; S71-R240 PolarHBondContact N-O 3.44Å; S71-R240 PolarHBondContact O-N 2.85Å; S71-H242 WeakPolarHBondContact CB-NE2 3.3Å; S71-H242 PolarHBondContact OG-NE2 2.92Å
72A94.9Very high88.4Confident0 Ų039.7 Ų39.70%025%0.247CC..EExtended strand (participates in β ladder)trans-148160.7172.200000112G62 R63 L65 I74 L235 L239G62-A72 CarbonylContact C-O 3.57Å; G62-A72 WeakPolarHBondContact CA-O 3.07Å; R63-A72 PolarHBondContact N-O 3.34Å; R63-A72 PolarHBondContact O-N 3.22Å; L65-A72 HydrophobicContact CD1-CB 4.05Å; A72-I74 HydrophobicContact CB-CD1 4.11Å; A72-I74 PolarHBondContact O-N 2.84Å; A72-I74 VanDerWaalsContact O-N 3.17Å; A72-L235 HydrophobicContact CB-CD2 4.29Å; A72-L235 HydrophobicContact CB-CG 4.18Å; A72-L239 HydrophobicContact CB-CB 4.46Å; A72-L239 HydrophobicContact CB-CD1 3.94Å
73T94.1Very high88.1Confident73 Ų7346.2 Ų46.245%0.44827%0.272SS..  trans-79.197.6170.9-530000108.9L235 S238T73-L235 WeakPolarHBondContact O-CA 3.22Å; T73-L235 WeakPolarHBondContact O-CB 3.37Å; T73-S238 WeakPolarHBondContact CB-OG 3.44Å; T73-S238 PolarHBondContact N-OG 2.65Å; T73-S238 VanDerWaalsContact OG1-CB 3.26Å; T73-S238 WeakPolarHBondContact OG1-CB 3.4Å; T73-S238 PolarHBondContact OG1-OG 3.43Å
74I89.3Confident87.2Confident19 Ų1945.3 Ų45.310%0.09727%0.273CS..  trans-89.3141.3174.6-52.4-56.8000108.9R63 A72 A78 F94 L235R63-I74 HydrophobicContact CB-CB 4.39Å; R63-I74 HydrophobicContact CB-CG1 3.95Å; R63-I74 HydrophobicContact CG-CG1 4.48Å; A72-I74 HydrophobicContact CB-CD1 4.11Å; A72-I74 PolarHBondContact O-N 2.84Å; A72-I74 VanDerWaalsContact O-N 3.17Å; I74-A78 HydrophobicContact CG2-CB 3.46Å; I74-A78 VanDerWaalsContact CG2-CB 3.46Å; I74-F94 HydrophobicContact CD1-CD2 4.35Å; I74-F94 HydrophobicContact CD1-CE2 4.08Å; I74-F94 HydrophobicContact CG1-CE2 4.26Å; I74-F94 HydrophobicContact CG1-CZ 4.37Å; I74-F94 HydrophobicContact CG2-CD1 4.25Å; I74-F94 HydrophobicContact CG2-CD2 4.29Å; I74-F94 HydrophobicContact CG2-CG 4.1Å; I74-L235 HydrophobicContact CD1-CD1 3.37Å; I74-L235 HydrophobicContact CD1-CG 3.81Å
75P87.8Confident86.3Confident18 Ų1844.8 Ų44.812%0.11726%0.26CS..  trans-52.4141.3174.5-27.535.6000112.7S77 A78 I103 W227 D231P75-S77 VanDerWaalsContact C-N 3.27Å; P75-S77 PolarHBondContact O-N 2.88Å; P75-A78 WeakPolarHBondContact O-CB 3.16Å; P75-A78 PolarHBondContact O-N 3.2Å; P75-I103 HydrophobicContact CG-CD1 4.04Å; P75-W227 VanDerWaalsContact CB-CD1 3.48Å; P75-W227 HydrophobicContact CB-CD2 4.07Å; P75-W227 HydrophobicContact CB-CG 4.01Å; P75-W227 HydrophobicContact CB-CZ2 4.28Å; P75-W227 HydrophobicContact CG-CD2 3.94Å; P75-W227 HydrophobicContact CG-CG 3.9Å; P75-D231 HydrophobicContact CG-CB 4.2Å
76H79.7Confident85.4Confident161 Ų16154 Ų5475%0.74530%0.303SS*.THydrogen-bonded Turntrans-64.3-30.4-173-173.464.8000113.7M56 A78M56-H76 PolarHBondContact O-CE1 3.03Å; M56-H76 VanDerWaalsContact O-CE1 3.31Å; H76-A78 PolarHBondContact O-N 3.44Å
77S82.2Confident84.8Confident31 Ų3154.1 Ų54.122%0.21730%0.304CS..THydrogen-bonded Turntrans-79.44.9176.753.30000113.9P75 K79 W227P75-S77 VanDerWaalsContact C-N 3.27Å; P75-S77 PolarHBondContact O-N 2.88Å; S77-K79 PolarHBondContact O-N 2.91Å; S77-W227 PolarHBondContact OG-NE1 3.49Å
78A84.9Confident84.6Confident7 Ų751.2 Ų51.26%0.05827%0.269CS..EExtended strand (participates in β ladder)trans-79.3115.2-17900000112.5R63 I74 P75 H76 F94 W227R63-A78 PolarHBondContact NH1-O 3.04Å; R63-A78 VanDerWaalsContact NH1-O 3.09Å; I74-A78 HydrophobicContact CG2-CB 3.46Å; I74-A78 VanDerWaalsContact CG2-CB 3.46Å; P75-A78 WeakPolarHBondContact O-CB 3.16Å; P75-A78 PolarHBondContact O-N 3.2Å; H76-A78 PolarHBondContact O-N 3.44Å; A78-F94 HydrophobicContact CB-CB 4.14Å; A78-W227 HydrophobicContact CB-CH2 3.67Å; A78-W227 HydrophobicContact CB-CZ2 3.48Å; A78-W227 VanDerWaalsContact CB-CZ2 3.48Å
79K85.6Confident84.3Confident85 Ų8557.5 Ų57.537%0.3730%0.295SS..EExtended strand (participates in β ladder)trans-85.5137.5171.6-75.1-162.3-175.9135.10111.5S77 F94 A95 D97S77-K79 PolarHBondContact O-N 2.91Å; K79-F94 CarbonylContact O-C 3.52Å; K79-F94 VanDerWaalsContact O-CA 3.25Å; K79-F94 WeakPolarHBondContact O-CA 3.35Å; K79-A95 PolarHBondContact N-O 3.39Å; K79-A95 PolarHBondContact O-N 3.32Å; K79-D97 WeakPolarHBondContact CD-OD1 3.33Å; K79-D97 VanDerWaalsContact CE-CG 3.41Å; K79-D97 WeakPolarHBondContact CE-OD1 3.43Å; K79-D97 WeakPolarHBondContact CE-OD2 3.09Å; K79-D97 WeakPolarHBondContact CG-OD1 3.34Å; K79-D97 IonicContact NZ-OD1 3.89Å; K79-D97 PolarHBondContact NZ-OD1 2.84Å; K79-D97 IonicContact NZ-OD2 3.92Å; K79-D97 PolarHBondContact NZ-OD2 3Å
80D85.8Confident84.1Confident24 Ų2459.3 Ų59.313%0.12830%0.304CS..EExtended strand (participates in β ladder)trans-73.1129170.5-143.6-54.1000109.9R63 S82 E83R63-D80 IonicContact CZ-OD2 3.72Å; R63-D80 VanDerWaalsContact NH2-CB 3.34Å; R63-D80 IonicContact NH2-OD2 3.07Å; R63-D80 PolarHBondContact NH2-OD2 2.99Å; D80-S82 VanDerWaalsContact CG-OG 3.24Å; D80-S82 WeakPolarHBondContact OD1-CB 3.42Å; D80-S82 PolarHBondContact OD1-N 3.15Å; D80-S82 VanDerWaalsContact OD1-N 3.13Å; D80-S82 PolarHBondContact OD1-OG 3.39Å; D80-E83 HydrophobicContact CB-CG 4.48Å
81I82.6Confident83.9Confident3 Ų359.6 Ų59.62%0.01531%0.305CS..SBendtrans-90.2-13.4178.5-57.8-51.6000111.8L45 E83 L84 R85 V93 A95L45-I81 HydrophobicContact CD1-CD1 3.71Å; L45-I81 HydrophobicContact CD1-CG1 4.5Å; L45-I81 HydrophobicContact CD2-CD1 3.95Å; L45-I81 HydrophobicContact CG-CD1 4.33Å; I81-E83 PolarHBondContact O-N 2.96Å; I81-L84 HydrophobicContact CD1-CD1 4.12Å; I81-L84 PolarHBondContact O-N 3.36Å; I81-R85 HydrophobicContact CG2-CG 3.87Å; I81-R85 PolarHBondContact O-N 2.62Å; I81-R85 VanDerWaalsContact O-N 3.14Å; I81-V93 HydrophobicContact CB-CB 4.18Å; I81-V93 HydrophobicContact CB-CG1 4.04Å; I81-V93 WeakPolarHBondContact CB-O 3.36Å; I81-V93 HydrophobicContact CG1-CG1 4Å; I81-V93 PolarHBondContact N-O 3.25Å; I81-A95 HydrophobicContact CD1-CB 3.68Å; I81-A95 HydrophobicContact CG1-CB 3.88Å
82S75.9Confident83.6Confident54 Ų5460.4 Ų60.438%0.37831%0.307SS..THydrogen-bonded Turntrans-59.2-29.1174.662.90000112.8D80 L84 R85D80-S82 VanDerWaalsContact CG-OG 3.24Å; D80-S82 WeakPolarHBondContact OD1-CB 3.42Å; D80-S82 PolarHBondContact OD1-N 3.15Å; D80-S82 VanDerWaalsContact OD1-N 3.13Å; D80-S82 PolarHBondContact OD1-OG 3.39Å; S82-L84 PolarHBondContact O-N 3.23Å; S82-R85 CarbonylContact C-O 3.22Å; S82-R85 WeakPolarHBondContact CA-O 3.38Å; S82-R85 VanDerWaalsContact O-O 3.12Å
83E74.3Confident83.4Confident159 Ų15960.5 Ų60.574%0.74331%0.308SS*.THydrogen-bonded Turntrans-67.9-24.2175-63.5-176.5-174.400113.1D80 I81D80-E83 HydrophobicContact CB-CG 4.48Å; I81-E83 PolarHBondContact O-N 2.96Å
84L71Confident83.2Confident62 Ų6257.1 Ų57.133%0.32529%0.287SS..THydrogen-bonded Turntrans-99.5-27.7-173.7-56.7-172.6000112.7L48 I81 S82L48-L84 HydrophobicContact CD2-CB 4.28Å; L48-L84 HydrophobicContact CD2-CD1 4.18Å; L48-L84 HydrophobicContact CD2-CD2 3.72Å; L48-L84 HydrophobicContact CD2-CG 4.28Å; I81-L84 HydrophobicContact CD1-CD1 4.12Å; I81-L84 PolarHBondContact O-N 3.36Å; S82-L84 PolarHBondContact O-N 3.23Å
85R74.2Confident83.2Confident76 Ų7656.2 Ų56.229%0.28728%0.282SS..SBendtrans-155.3153.4-178.267.3-175.2-171.7-175.41.3110.5V39 I81 S82 I87V39-R85 VanDerWaalsContact CG1-NH1 3.3Å; I81-R85 HydrophobicContact CG2-CG 3.87Å; I81-R85 PolarHBondContact O-N 2.62Å; I81-R85 VanDerWaalsContact O-N 3.14Å; S82-R85 CarbonylContact C-O 3.22Å; S82-R85 WeakPolarHBondContact CA-O 3.38Å; S82-R85 VanDerWaalsContact O-O 3.12Å; R85-I87 HydrophobicContact CG-CG2 4.04Å; R85-I87 PolarHBondContact O-N 3.13Å
86E73.3Confident83Confident195 Ų19555.6 Ų55.691%0.91128%0.278SS*.  trans-62.8126.6166.5-65.1-178.6171.100109.4
87I80.1Confident82.7Confident26 Ų2649.9 Ų49.913%0.13325%0.253CS..  trans-115.5152.217161178000108.2R85 Q91 V93R85-I87 HydrophobicContact CG-CG2 4.04Å; R85-I87 PolarHBondContact O-N 3.13Å; I87-Q91 VanDerWaalsContact CD1-O 3.22Å; I87-Q91 WeakPolarHBondContact CD1-O 3.4Å; I87-V93 HydrophobicContact CD1-CB 4.46Å; I87-V93 HydrophobicContact CD1-CG2 4.35Å; I87-V93 HydrophobicContact CG2-CG2 4.31Å
88P84.9Confident82.2Confident32 Ų3253.2 Ų53.221%0.20827%0.265CS..  trans-55.6142174.7-25.435.7000111.8N90 Q91P88-N90 WeakPolarHBondContact CB-OD1 3.45Å; P88-N90 PolarHBondContact O-N 2.87Å; P88-Q91 HydrophobicContact CB-CB 4.47Å; P88-Q91 HydrophobicContact CB-CG 4.4Å; P88-Q91 PolarHBondContact O-N 2.93Å
89D86.1Confident81.5Confident159 Ų15954.6 Ų54.685%0.8527%0.271SS*.THydrogen-bonded Turntrans-59.9-23.2-178.2-60.2-26.8000113.3F66 Q91F66-D89 WeakPolarHBondContact CD1-O 3.47Å; D89-Q91 VanDerWaalsContact C-N 3.28Å
90N89.5Confident81.1Confident47 Ų4752.1 Ų52.125%0.25126%0.262SS..THydrogen-bonded Turntrans-86.46.8176.577-49.7000113.3P88 E106 L107P88-N90 WeakPolarHBondContact CB-OD1 3.45Å; P88-N90 PolarHBondContact O-N 2.87Å; N90-E106 CarbonylContact O-C 3.48Å; N90-E106 WeakPolarHBondContact O-CA 3.3Å; N90-L107 HydrophobicContact CB-CB 4.37Å; N90-L107 PolarHBondContact ND2-O 3.31Å; N90-L107 PolarHBondContact O-N 2.69Å
91Q90.2Very high81.1Confident7 Ų751.1 Ų51.13%0.03326%0.257CS..EExtended strand (participates in β ladder)trans-128.1140.6-179.8-70.6175.414.500112.1L37 I87 P88 D89 V105 E106L37-Q91 PolarHBondContact O-NE2 3.22Å; I87-Q91 VanDerWaalsContact CD1-O 3.22Å; I87-Q91 WeakPolarHBondContact CD1-O 3.4Å; P88-Q91 HydrophobicContact CB-CB 4.47Å; P88-Q91 HydrophobicContact CB-CG 4.4Å; P88-Q91 PolarHBondContact O-N 2.93Å; D89-Q91 VanDerWaalsContact C-N 3.28Å; Q91-V105 CarbonylContact C-O 3.59Å; Q91-V105 WeakPolarHBondContact CA-O 3.49Å; Q91-E106 HydrophobicContact CG-CB 4.14Å; Q91-E106 HydrophobicContact CG-CG 3.75Å; Q91-E106 PolarHBondContact NE2-OE1 2.98Å
92E90.3Very high81.4Confident30 Ų3051.2 Ų51.214%0.1426%0.258CS..EExtended strand (participates in β ladder)trans-120126.2166.4-64.6-74.2-170.700107.9L65 F66 F94 I104 V105L65-E92 HydrophobicContact CB-CG 4.33Å; L65-E92 HydrophobicContact CD2-CB 4.34Å; L65-E92 HydrophobicContact CD2-CG 4.22Å; F66-E92 WeakPolarHBondContact CA-OE1 3.31Å; F66-E92 HydrophobicContact CD1-CG 4.11Å; F66-E92 HydrophobicContact CD2-CG 4.32Å; F66-E92 HydrophobicContact CE1-CG 3.77Å; F66-E92 HydrophobicContact CE2-CG 4.02Å; F66-E92 HydrophobicContact CG-CG 4.37Å; F66-E92 HydrophobicContact CZ-CB 4.48Å; F66-E92 HydrophobicContact CZ-CG 3.73Å; F66-E92 PolarHBondContact N-OE1 2.92Å; E92-F94 HydrophobicContact CB-CE2 4.02Å; E92-F94 HydrophobicContact CB-CZ 4.27Å; E92-I104 CarbonylContact O-C 3.57Å; E92-I104 WeakPolarHBondContact O-CA 3.32Å; E92-V105 HydrophobicContact CB-CB 4.23Å; E92-V105 PolarHBondContact N-O 2.97Å; E92-V105 PolarHBondContact O-N 2.93Å
93V90.5Very high82.2Confident3 Ų348.7 Ų48.72%0.01824%0.24CC..EExtended strand (participates in β ladder)trans-122.4118.9-173.3-1780000110.2I81 I87 I104I81-V93 HydrophobicContact CB-CB 4.18Å; I81-V93 HydrophobicContact CB-CG1 4.04Å; I81-V93 WeakPolarHBondContact CB-O 3.36Å; I81-V93 HydrophobicContact CG1-CG1 4Å; I81-V93 PolarHBondContact N-O 3.25Å; I87-V93 HydrophobicContact CD1-CB 4.46Å; I87-V93 HydrophobicContact CD1-CG2 4.35Å; I87-V93 HydrophobicContact CG2-CG2 4.31Å; V93-I104 HydrophobicContact CG1-CG1 4.28Å; V93-I104 HydrophobicContact CG2-CG1 4.39Å; V93-I104 HydrophobicContact CG2-CG2 4.28Å
94F90.1Very high83.1Confident1 Ų142.1 Ų42.10%0.00421%0.21CC..EExtended strand (participates in β ladder)trans-112.9137.2175.6-56.3-72.4000110.9R63 L65 I74 A78 K79 E92 S102 I103R63-F94 VanDerWaalsContact CZ-CE1 3.49Å; L65-F94 HydrophobicContact CD2-CE2 3.73Å; L65-F94 HydrophobicContact CD2-CZ 3.53Å; I74-F94 HydrophobicContact CD1-CD2 4.35Å; I74-F94 HydrophobicContact CD1-CE2 4.08Å; I74-F94 HydrophobicContact CG1-CE2 4.26Å; I74-F94 HydrophobicContact CG1-CZ 4.37Å; I74-F94 HydrophobicContact CG2-CD1 4.25Å; I74-F94 HydrophobicContact CG2-CD2 4.29Å; I74-F94 HydrophobicContact CG2-CG 4.1Å; A78-F94 HydrophobicContact CB-CB 4.14Å; K79-F94 CarbonylContact O-C 3.52Å; K79-F94 VanDerWaalsContact O-CA 3.25Å; K79-F94 WeakPolarHBondContact O-CA 3.35Å; E92-F94 HydrophobicContact CB-CE2 4.02Å; E92-F94 HydrophobicContact CB-CZ 4.27Å; F94-S102 CarbonylContact O-C 3.53Å; F94-S102 VanDerWaalsContact O-CA 3.23Å; F94-S102 WeakPolarHBondContact O-CA 3.43Å; F94-S102 WeakPolarHBondContact O-CB 3.32Å; F94-I103 HydrophobicContact CB-CB 4.33Å; F94-I103 HydrophobicContact CD2-CG2 4.49Å; F94-I103 PolarHBondContact N-O 3.43Å; F94-I103 PolarHBondContact O-N 3.04Å
95A87.9Confident84.2Confident0 Ų039.2 Ų39.20%019%0.194CC..EExtended strand (participates in β ladder)trans-126150.5174.900000111.4L42 L45 K79 I81L42-A95 HydrophobicContact CD2-CB 3.52Å; L45-A95 HydrophobicContact CD1-CB 4.18Å; L45-A95 HydrophobicContact CD2-CB 3.53Å; L45-A95 HydrophobicContact CG-CB 4.45Å; K79-A95 PolarHBondContact N-O 3.39Å; K79-A95 PolarHBondContact O-N 3.32Å; I81-A95 HydrophobicContact CD1-CB 3.68Å; I81-A95 HydrophobicContact CG1-CB 3.88Å
96H83.2Confident85.1Confident5 Ų535.9 Ų35.92%0.02318%0.182CC..EExtended strand (participates in β ladder)trans-82.4148.4169.5-165.7-58.1000110H98 N99 Q101 E225 W227H96-H98 VanDerWaalsContact C-N 3.32Å; H96-H98 PolarHBondContact ND1-N 3.19Å; H96-H98 PolarHBondContact O-N 2.81Å; H96-N99 WeakPolarHBondContact CB-OD1 2.94Å; H96-N99 PolarHBondContact CD2-ND2 2.7Å; H96-N99 PolarHBondContact CD2-OD1 3.24Å; H96-N99 PolarHBondContact CE1-ND2 3.34Å; H96-N99 VanDerWaalsContact CG-CG 3.46Å; H96-N99 PolarHBondContact ND1-ND2 3.02Å; H96-N99 PolarHBondContact ND1-OD1 3.24Å; H96-N99 PolarHBondContact NE2-ND2 3.09Å; H96-Q101 HydrophobicContact CB-CB 4.04Å; H96-Q101 PolarHBondContact N-O 2.85Å; H96-E225 PolarHBondContact NE2-O 2.84Å; H96-W227 HydrophobicContact CB-CD2 4.47Å; H96-W227 HydrophobicContact CB-CE3 4.45Å; H96-W227 HydrophobicContact CB-CH2 3.78Å; H96-W227 HydrophobicContact CB-CZ2 3.72Å; H96-W227 HydrophobicContact CB-CZ3 4.13Å; H96-W227 AromaticContact CD2-CD1 3.78Å; H96-W227 AromaticContact CD2-CD2 3.9Å; H96-W227 AromaticContact CD2-CE2 3.46Å; H96-W227 VanDerWaalsContact CD2-CE2 3.46Å; H96-W227 AromaticContact CD2-CZ2 3.85Å; H96-W227 AromaticContact CD2-NE1 3.38Å; H96-W227 PolarHBondContact CD2-NE1 3.09Å; H96-W227 VanDerWaalsContact N-CH2 3.29Å
97D74.6Confident86.1Confident41 Ų4127.6 Ų27.622%0.21914%0.144CC..SBendtrans-70.4-18.9-175.2-79.7-16.4000116.6Q49 K79Q49-D97 PolarHBondContact NE2-O 3.09Å; K79-D97 WeakPolarHBondContact CD-OD1 3.33Å; K79-D97 VanDerWaalsContact CE-CG 3.41Å; K79-D97 WeakPolarHBondContact CE-OD1 3.43Å; K79-D97 WeakPolarHBondContact CE-OD2 3.09Å; K79-D97 WeakPolarHBondContact CG-OD1 3.34Å; K79-D97 IonicContact NZ-OD1 3.89Å; K79-D97 PolarHBondContact NZ-OD1 2.84Å; K79-D97 IonicContact NZ-OD2 3.92Å; K79-D97 PolarHBondContact NZ-OD2 3Å
98H70.8Confident86.7Confident101 Ų10127.4 Ų27.447%0.46814%0.143SC..SBendtrans-143.3-42.4-158.5-62.7-63.1000112.9H96 T224H96-H98 VanDerWaalsContact C-N 3.32Å; H96-H98 PolarHBondContact ND1-N 3.19Å; H96-H98 PolarHBondContact O-N 2.81Å; H98-T224 PolarHBondContact CD2-OG1 2.83Å
99N70.7Confident87Confident36 Ų3632.4 Ų32.419%0.19316%0.164CC..SBendtrans-92146.1165.954.454.8000108.2H96 Q101 P226H96-N99 WeakPolarHBondContact CB-OD1 2.94Å; H96-N99 PolarHBondContact CD2-ND2 2.7Å; H96-N99 PolarHBondContact CD2-OD1 3.24Å; H96-N99 PolarHBondContact CE1-ND2 3.34Å; H96-N99 VanDerWaalsContact CG-CG 3.46Å; H96-N99 PolarHBondContact ND1-ND2 3.02Å; H96-N99 PolarHBondContact ND1-OD1 3.24Å; H96-N99 PolarHBondContact NE2-ND2 3.09Å; N99-Q101 HydrophobicContact CB-CG 4.24Å; N99-Q101 PolarHBondContact ND2-OE1 2.69Å; N99-Q101 PolarHBondContact O-N 3.08Å; N99-Q101 WeakPolarHBondContact OD1-CB 2.93Å; N99-Q101 VanDerWaalsContact OD1-CD 3.26Å; N99-Q101 WeakPolarHBondContact OD1-CG 3.18Å; N99-Q101 PolarHBondContact OD1-OE1 2.98Å; N99-P226 VanDerWaalsContact ND2-CA 3.29Å; N99-P226 WeakPolarHBondContact ND2-CA 3.5Å
100D76.4Confident87.2Confident34 Ų3426.3 Ų26.318%0.18213%0.131CC..SBendtrans-71.832.5-178.3-74-25.4000111.6P203 I206 S212D100-P203 HydrophobicContact CB-CG 3.86Å; D100-I206 WeakPolarHBondContact OD2-CD1 2.83Å; D100-S212 WeakPolarHBondContact OD2-CB 3.42Å; D100-S212 PolarHBondContact OD2-OG 3.08Å
101Q86.2Confident87.2Confident3 Ų325.9 Ų25.91%0.01413%0.127CC..  trans-81.2147.2177.8-66.6-179.9-35.500111.6H96 N99 F200 N201 D202 W227H96-Q101 HydrophobicContact CB-CB 4.04Å; H96-Q101 PolarHBondContact N-O 2.85Å; N99-Q101 HydrophobicContact CB-CG 4.24Å; N99-Q101 PolarHBondContact ND2-OE1 2.69Å; N99-Q101 PolarHBondContact O-N 3.08Å; N99-Q101 WeakPolarHBondContact OD1-CB 2.93Å; N99-Q101 VanDerWaalsContact OD1-CD 3.26Å; N99-Q101 WeakPolarHBondContact OD1-CG 3.18Å; N99-Q101 PolarHBondContact OD1-OE1 2.98Å; Q101-F200 HydrophobicContact CB-CE2 4.05Å; Q101-F200 HydrophobicContact CG-CE2 4.18Å; Q101-N201 VanDerWaalsContact CA-O 3.31Å; Q101-N201 WeakPolarHBondContact CA-O 3.25Å; Q101-D202 PolarHBondContact NE2-OD1 3.33Å; Q101-W227 HydrophobicContact CB-CE3 4.1Å; Q101-W227 HydrophobicContact CB-CZ3 4.41Å; Q101-W227 PolarHBondContact NE2-O 3.16Å
102S89.7Confident86.9Confident4 Ų430.1 Ų30.13%0.02816%0.158CC..EExtended strand (participates in β ladder)trans-148.7143.6177.872.40000111.9F94 F200 N201F94-S102 CarbonylContact O-C 3.53Å; F94-S102 VanDerWaalsContact O-CA 3.23Å; F94-S102 WeakPolarHBondContact O-CA 3.43Å; F94-S102 WeakPolarHBondContact O-CB 3.32Å; S102-F200 WeakPolarHBondContact O-CA 3.33Å; S102-N201 PolarHBondContact N-O 2.86Å; S102-N201 PolarHBondContact O-N 3.24Å; S102-N201 WeakPolarHBondContact OG-CB 3.44Å; S102-N201 PolarHBondContact OG-ND2 3.16Å
103I92.4Very high86.8Confident1 Ų134 Ų341%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-115.1130.5170.1-64.6168.2000108.1P75 F94 V198 T199 F200 W227 L235P75-I103 HydrophobicContact CG-CD1 4.04Å; F94-I103 HydrophobicContact CB-CB 4.33Å; F94-I103 HydrophobicContact CD2-CG2 4.49Å; F94-I103 PolarHBondContact N-O 3.43Å; F94-I103 PolarHBondContact O-N 3.04Å; I103-V198 HydrophobicContact CG2-CG1 4.11Å; I103-T199 CarbonylContact C-O 3.53Å; I103-T199 VanDerWaalsContact CA-O 3.28Å; I103-T199 WeakPolarHBondContact CA-O 3.44Å; I103-F200 HydrophobicContact CG1-CB 4.24Å; I103-F200 HydrophobicContact CG1-CD2 3.76Å; I103-F200 HydrophobicContact CG1-CG 4.31Å; I103-W227 HydrophobicContact CB-CZ3 4.49Å; I103-W227 HydrophobicContact CD1-CD2 4.38Å; I103-W227 HydrophobicContact CD1-CE3 3.7Å; I103-W227 HydrophobicContact CD1-CZ3 3.87Å; I103-W227 HydrophobicContact CG1-CE3 3.92Å; I103-W227 HydrophobicContact CG1-CZ3 3.85Å; I103-L235 HydrophobicContact CD1-CD1 4Å; I103-L235 HydrophobicContact CG2-CD1 3.67Å
104I92.6Very high86.7Confident22 Ų2234.9 Ų34.911%0.11318%0.181CC..EExtended strand (participates in β ladder)trans-122.6129.1177.8-57171.8000107.5E92 V93 V198 T199E92-I104 CarbonylContact O-C 3.57Å; E92-I104 WeakPolarHBondContact O-CA 3.32Å; V93-I104 HydrophobicContact CG1-CG1 4.28Å; V93-I104 HydrophobicContact CG2-CG1 4.39Å; V93-I104 HydrophobicContact CG2-CG2 4.28Å; I104-V198 CarbonylContact O-C 3.59Å; I104-V198 VanDerWaalsContact O-CA 3.28Å; I104-V198 WeakPolarHBondContact O-CA 3.4Å; I104-T199 PolarHBondContact N-O 3.13Å; I104-T199 PolarHBondContact O-N 3.3Å
105V94.8Very high86.4Confident0 Ų041.1 Ų41.10%021%0.21CC..EExtended strand (participates in β ladder)trans-109.4124.9169.3-173.30000107.3L65 F66 Q91 E92 V196 L197 V198L65-V105 HydrophobicContact CD1-CG1 4.4Å; L65-V105 HydrophobicContact CD1-CG2 4.21Å; F66-V105 HydrophobicContact CE2-CG1 3.92Å; F66-V105 HydrophobicContact CZ-CG1 4.19Å; Q91-V105 CarbonylContact C-O 3.59Å; Q91-V105 WeakPolarHBondContact CA-O 3.49Å; E92-V105 HydrophobicContact CB-CB 4.23Å; E92-V105 PolarHBondContact N-O 2.97Å; E92-V105 PolarHBondContact O-N 2.93Å; V105-V196 HydrophobicContact CG1-CG1 4.21Å; V105-L197 CarbonylContact C-O 3.54Å; V105-L197 WeakPolarHBondContact CA-O 3.37Å; V105-V198 HydrophobicContact CG1-CG2 4.39Å; V105-V198 HydrophobicContact CG2-CG1 4.23Å; V105-V198 HydrophobicContact CG2-CG2 4.49Å
106E93.1Very high86.3Confident7 Ų745.6 Ų45.63%0.03323%0.234CC..EExtended strand (participates in β ladder)trans-131.3135.4-176.1-174.9173.4-14500110.6R38 N90 Q91 L108 L197R38-E106 IonicContact CZ-OE2 2.63Å; R38-E106 IonicContact NE-OE1 3.26Å; R38-E106 IonicContact NE-OE2 2.83Å; R38-E106 PolarHBondContact NE-OE2 3.47Å; R38-E106 IonicContact NH2-OE2 3.96Å; R38-E106 PolarHBondContact NH2-OE2 3.41Å; N90-E106 CarbonylContact O-C 3.48Å; N90-E106 WeakPolarHBondContact O-CA 3.3Å; Q91-E106 HydrophobicContact CG-CB 4.14Å; Q91-E106 HydrophobicContact CG-CG 3.75Å; Q91-E106 PolarHBondContact NE2-OE1 2.98Å; E106-L108 HydrophobicContact CG-CD2 3.66Å; E106-L108 HydrophobicContact CG-CG 3.89Å; E106-L197 PolarHBondContact N-O 2.92Å; E106-L197 PolarHBondContact O-N 3.16Å
107L93.4Very high86.4Confident21 Ų2146 Ų4611%0.1124%0.239CC..EExtended strand (participates in β ladder)trans-93.2120.1169.5-50.6-176.5000108.7F66 N90 T194 V196 V246 F247F66-L107 HydrophobicContact CD1-CD1 4.14Å; F66-L107 HydrophobicContact CD2-CD1 4.32Å; F66-L107 HydrophobicContact CE1-CD1 4.09Å; F66-L107 HydrophobicContact CE1-CG 3.97Å; F66-L107 HydrophobicContact CE2-CD1 4.26Å; F66-L107 HydrophobicContact CE2-CD2 3.9Å; F66-L107 HydrophobicContact CE2-CG 3.99Å; F66-L107 HydrophobicContact CG-CD1 4.26Å; F66-L107 HydrophobicContact CZ-CD1 4.14Å; F66-L107 HydrophobicContact CZ-CD2 4.02Å; F66-L107 HydrophobicContact CZ-CG 3.68Å; N90-L107 HydrophobicContact CB-CB 4.37Å; N90-L107 PolarHBondContact ND2-O 3.31Å; N90-L107 PolarHBondContact O-N 2.69Å; L107-T194 HydrophobicContact CB-CG2 4.48Å; L107-V196 HydrophobicContact CD2-CB 4.45Å; L107-V196 HydrophobicContact CD2-CG1 4.05Å; L107-V196 HydrophobicContact CD2-CG2 3.9Å; L107-V246 HydrophobicContact CD1-CG2 3.92Å; L107-F247 HydrophobicContact CD1-CE1 4.27Å; L107-F247 HydrophobicContact CD2-CE1 4.15Å
108L92.5Very high87.2Confident21 Ų2148.6 Ų48.611%0.1125%0.253CS..EExtended strand (participates in β ladder)trans-121.6155.2-175.4-65.3175.9000111.6R38 E106 T194 D195 L197R38-L108 VanDerWaalsContact NH2-CD1 3.32Å; E106-L108 HydrophobicContact CG-CD2 3.66Å; E106-L108 HydrophobicContact CG-CG 3.89Å; L108-T194 CarbonylContact O-C 3.58Å; L108-T194 VanDerWaalsContact O-CA 3.29Å; L108-T194 WeakPolarHBondContact O-CA 3.43Å; L108-T194 WeakPolarHBondContact O-CG2 3.41Å; L108-D195 HydrophobicContact CB-CB 4.36Å; L108-D195 WeakPolarHBondContact CB-O 3.44Å; L108-D195 PolarHBondContact N-O 3.3Å; L108-D195 PolarHBondContact O-N 3.01Å; L108-L197 HydrophobicContact CD1-CB 3.77Å; L108-L197 HydrophobicContact CD1-CD2 3.68Å; L108-L197 HydrophobicContact CD1-CG 4.31Å; L108-L197 HydrophobicContact CG-CB 4.48Å
109E91.4Very high88.2Confident137 Ų13743.8 Ų43.864%0.6423%0.231SC*.EExtended strand (participates in β ladder)trans-66.1134.7169.6-171.5-179.2-174.100111Q111E109-Q111 PolarHBondContact O-N 2.85Å; E109-Q111 PolarHBondContact O-NE2 3.23Å
110L90.6Very high89.2Confident31 Ų3142.1 Ų42.116%0.16222%0.222CC..  trans-59.3119.1177.4178.181.5000111.2S112 R188 P190 S193 D195L110-S112 PolarHBondContact O-N 3Å; L110-R188 HydrophobicContact CD1-CB 4.49Å; L110-P190 HydrophobicContact CD1-CG 4.41Å; L110-P190 HydrophobicContact CD2-CB 4.05Å; L110-P190 HydrophobicContact CD2-CG 4.5Å; L110-S193 VanDerWaalsContact CB-O 3.29Å; L110-S193 WeakPolarHBondContact CB-O 3.33Å; L110-S193 PolarHBondContact N-O 2.91Å; L110-D195 VanDerWaalsContact CD1-OD1 3.31Å; L110-D195 WeakPolarHBondContact CD1-OD1 3.44Å
111Q89Confident90Very high39 Ų3945.1 Ų45.118%0.18223%0.231CC..  trans-8485.4174.4-59.6-54.1-50.800110.8E109 H113 V114 Y122 R188 D195E109-Q111 PolarHBondContact O-N 2.85Å; E109-Q111 PolarHBondContact O-NE2 3.23Å; Q111-H113 PolarHBondContact O-N 3.34Å; Q111-H113 VanDerWaalsContact O-N 3.16Å; Q111-H113 PolarHBondContact OE1-CE1 2.98Å; Q111-H113 VanDerWaalsContact OE1-CE1 3.24Å; Q111-V114 HydrophobicContact CB-CG2 3.6Å; Q111-V114 VanDerWaalsContact O-CG2 3.29Å; Q111-V114 WeakPolarHBondContact O-CG2 3.38Å; Q111-V114 PolarHBondContact O-N 3.12Å; Q111-V114 VanDerWaalsContact O-O 3.12Å; Q111-Y122 HydrophobicContact CB-CE1 4.39Å; Q111-Y122 HydrophobicContact CG-CD1 4.18Å; Q111-Y122 HydrophobicContact CG-CE1 3.73Å; Q111-R188 PolarHBondContact O-NH2 3.49Å; Q111-D195 PolarHBondContact N-OD2 3.13Å
112S85.6Confident90.3Very high95 Ų9547.2 Ų47.266%0.66424%0.239SC*.THydrogen-bonded Turntrans-62.2-22.1-174.359.80000114.6L110 V114L110-S112 PolarHBondContact O-N 3Å; S112-V114 VanDerWaalsContact C-N 3.35Å
113H87Confident90.3Very high112 Ų11247.2 Ų47.252%0.51924%0.238SC..THydrogen-bonded Turntrans-78.7-13.9-179.568.4-82.2000114.1Q111 Y122Q111-H113 PolarHBondContact O-N 3.34Å; Q111-H113 VanDerWaalsContact O-N 3.16Å; Q111-H113 PolarHBondContact OE1-CE1 2.98Å; Q111-H113 VanDerWaalsContact OE1-CE1 3.24Å; H113-Y122 AromaticContact NE2-CE2 3.59Å; H113-Y122 AromaticContact NE2-CZ 3.96Å
114V87.7Confident90.2Very high22 Ų2247.2 Ų47.213%0.13324%0.238CC..SBendtrans-115145.4175-70.10000110.3Q111 S112 A119 Y122 R188Q111-V114 HydrophobicContact CB-CG2 3.6Å; Q111-V114 VanDerWaalsContact O-CG2 3.29Å; Q111-V114 WeakPolarHBondContact O-CG2 3.38Å; Q111-V114 PolarHBondContact O-N 3.12Å; Q111-V114 VanDerWaalsContact O-O 3.12Å; S112-V114 VanDerWaalsContact C-N 3.35Å; V114-A119 HydrophobicContact CB-CB 4.23Å; V114-A119 HydrophobicContact CG2-CB 3.8Å; V114-Y122 HydrophobicContact CG1-CD2 4.08Å; V114-Y122 HydrophobicContact CG1-CG 4.19Å; V114-Y122 HydrophobicContact CG2-CD1 4.45Å; V114-Y122 HydrophobicContact CG2-CG 4.24Å; V114-R188 PolarHBondContact O-NH1 3.1Å; V114-R188 PolarHBondContact O-NH2 3.02Å
115Q85.6Confident90Very high132 Ų13252.1 Ų52.162%0.61726%0.261SS*.  trans-131.1154.8-176.4-64.6-167.7-13.600112G117 D118 A119Q115-G117 PolarHBondContact O-N 3.5Å; Q115-D118 WeakPolarHBondContact O-CB 3.26Å; Q115-D118 PolarHBondContact O-N 2.87Å; Q115-D118 VanDerWaalsContact O-N 3.1Å; Q115-A119 PolarHBondContact O-N 2.87Å
116N85.8Confident89.6Confident94 Ų9453.6 Ų53.650%0.50327%0.269SS..Hα-helixtrans50.5-136.4172.6-57.6-41000113.3D118 A119 F161N116-D118 PolarHBondContact O-N 3.11Å; N116-A119 WeakPolarHBondContact O-CB 3.33Å; N116-A119 PolarHBondContact O-N 2.75Å; N116-A119 VanDerWaalsContact O-N 3.07Å; N116-F161 VanDerWaalsContact CA-CE2 3.44Å; N116-F161 HydrophobicContact CB-CE1 4.45Å; N116-F161 HydrophobicContact CB-CE2 4.36Å; N116-F161 HydrophobicContact CB-CZ 3.75Å; N116-F161 WeakPolarHBondContact O-CE2 3.13Å
117G85.2Confident89.1Confident12 Ų1253.6 Ų53.612%0.12427%0.269CS..Hα-helixtrans-61.6-22-179.900000114Q115 A119 A120 R121Q115-G117 PolarHBondContact O-N 3.5Å; G117-A119 VanDerWaalsContact C-N 3.32Å; G117-A120 PolarHBondContact O-N 3.31Å; G117-R121 PolarHBondContact O-N 3.14Å; G117-R121 VanDerWaalsContact O-N 3.16Å
118D90.9Very high88.5Confident97 Ų9752.8 Ų52.852%0.51927%0.265SS..Hα-helixtrans-74-26.6176.9-59.9-32.6000111.8Q115 N116 A120 R121 Y122Q115-D118 WeakPolarHBondContact O-CB 3.26Å; Q115-D118 PolarHBondContact O-N 2.87Å; Q115-D118 VanDerWaalsContact O-N 3.1Å; N116-D118 PolarHBondContact O-N 3.11Å; D118-A120 VanDerWaalsContact C-N 3.33Å; D118-R121 PolarHBondContact O-N 3.06Å; D118-R121 IonicContact OD1-CZ 2.69Å; D118-R121 IonicContact OD1-NH1 3.52Å; D118-R121 PolarHBondContact OD1-NH1 2.88Å; D118-Y122 WeakPolarHBondContact O-CB 3.5Å; D118-Y122 PolarHBondContact O-N 3.36Å
119A91.4Very high87.7Confident0 Ų053 Ų530%027%0.273CS..Hα-helixtrans-64.9-38.7169.700000111.6V114 Q115 N116 G117 Y122 H123 L186V114-A119 HydrophobicContact CB-CB 4.23Å; V114-A119 HydrophobicContact CG2-CB 3.8Å; Q115-A119 PolarHBondContact O-N 2.87Å; N116-A119 WeakPolarHBondContact O-CB 3.33Å; N116-A119 PolarHBondContact O-N 2.75Å; N116-A119 VanDerWaalsContact O-N 3.07Å; G117-A119 VanDerWaalsContact C-N 3.32Å; A119-Y122 PolarHBondContact O-N 2.96Å; A119-H123 PolarHBondContact O-CD2 2.87Å; A119-H123 PolarHBondContact O-N 3.35Å; A119-H123 VanDerWaalsContact O-N 3.08Å; A119-L186 HydrophobicContact CB-CD2 3.75Å
120A92.1Very high86.7Confident0 Ų047.6 Ų47.60%025%0.25CS..Hα-helixtrans-65.6-40.1175.100000111.7G117 D118 F124 V144 F161 L163 L184 L186G117-A120 PolarHBondContact O-N 3.31Å; D118-A120 VanDerWaalsContact C-N 3.33Å; A120-F124 WeakPolarHBondContact O-CB 3.02Å; A120-F124 PolarHBondContact O-N 2.88Å; A120-V144 HydrophobicContact CB-CG1 4.22Å; A120-F161 HydrophobicContact CB-CB 4.01Å; A120-L163 HydrophobicContact CB-CB 4.15Å; A120-L163 HydrophobicContact CB-CD1 4.12Å; A120-L184 HydrophobicContact CB-CD2 4.45Å; A120-L186 HydrophobicContact CB-CD2 4.23Å
121R93.4Very high85.7Confident97 Ų9746.7 Ų46.737%0.36625%0.245SC..Hα-helixtrans-64.2-43.4174.6-68-176-179966.3112.2G117 D118 H123 F124 E125 V144 L163G117-R121 PolarHBondContact O-N 3.14Å; G117-R121 VanDerWaalsContact O-N 3.16Å; D118-R121 PolarHBondContact O-N 3.06Å; D118-R121 IonicContact OD1-CZ 2.69Å; D118-R121 IonicContact OD1-NH1 3.52Å; D118-R121 PolarHBondContact OD1-NH1 2.88Å; R121-H123 PolarHBondContact O-N 2.78Å; R121-F124 WeakPolarHBondContact O-CB 3.45Å; R121-F124 PolarHBondContact O-N 2.96Å; R121-E125 WeakPolarHBondContact O-CG 3.22Å; R121-E125 PolarHBondContact O-N 3.18Å; R121-V144 HydrophobicContact CG-CG2 4.23Å; R121-L163 HydrophobicContact CG-CD1 4.09Å
122Y91.3Very high84.8Confident48 Ų4851.8 Ų51.819%0.18827%0.267CS..Hα-helixtrans-55.9-50.9176.3178.6-90.3000111.5N29 Q111 H113 V114 D118 A119 F124 E125 D126N29-Y122 PolarHBondContact ND2-OH 3.48Å; N29-Y122 VanDerWaalsContact ND2-OH 3.16Å; Q111-Y122 HydrophobicContact CB-CE1 4.39Å; Q111-Y122 HydrophobicContact CG-CD1 4.18Å; Q111-Y122 HydrophobicContact CG-CE1 3.73Å; H113-Y122 AromaticContact NE2-CE2 3.59Å; H113-Y122 AromaticContact NE2-CZ 3.96Å; V114-Y122 HydrophobicContact CG1-CD2 4.08Å; V114-Y122 HydrophobicContact CG1-CG 4.19Å; V114-Y122 HydrophobicContact CG2-CD1 4.45Å; V114-Y122 HydrophobicContact CG2-CG 4.24Å; D118-Y122 WeakPolarHBondContact O-CB 3.5Å; D118-Y122 PolarHBondContact O-N 3.36Å; A119-Y122 PolarHBondContact O-N 2.96Å; Y122-F124 VanDerWaalsContact C-N 3.32Å; Y122-F124 PolarHBondContact O-N 3.47Å; Y122-E125 PolarHBondContact O-N 2.92Å; Y122-D126 PolarHBondContact O-N 3.24Å
123H91.2Very high83.6Confident4 Ų447.3 Ų47.32%0.01924%0.235CC..Hα-helixtrans-64.9-36177.5-74.1-61.8000112.2A119 R121 D126 V127 L184 D195 L197A119-H123 PolarHBondContact O-CD2 2.87Å; A119-H123 PolarHBondContact O-N 3.35Å; A119-H123 VanDerWaalsContact O-N 3.08Å; R121-H123 PolarHBondContact O-N 2.78Å; H123-D126 PolarHBondContact O-N 3.02Å; H123-V127 WeakPolarHBondContact O-CG2 3.19Å; H123-V127 PolarHBondContact O-N 3.46Å; H123-L184 HydrophobicContact CB-CD1 4.24Å; H123-D195 IonicContact CE1-OD2 3.58Å; H123-D195 IonicContact NE2-OD2 3.93Å; H123-D195 PolarHBondContact NE2-OD2 3.28Å; H123-D195 VanDerWaalsContact NE2-OD2 3.07Å; H123-L197 HydrophobicContact CB-CD1 3.99Å; H123-L197 HydrophobicContact CB-CD2 4.4Å
124F89.9Confident82.4Confident1 Ų145.9 Ų45.90%0.00424%0.238CC..Hα-helixtrans-64-41.1174.5179.3-102.2000113.1A120 R121 Y122 D126 V127 A128 S139 V141 L163 Q167 I182 L184A120-F124 WeakPolarHBondContact O-CB 3.02Å; A120-F124 PolarHBondContact O-N 2.88Å; R121-F124 WeakPolarHBondContact O-CB 3.45Å; R121-F124 PolarHBondContact O-N 2.96Å; Y122-F124 VanDerWaalsContact C-N 3.32Å; Y122-F124 PolarHBondContact O-N 3.47Å; F124-D126 VanDerWaalsContact C-N 3.35Å; F124-V127 PolarHBondContact O-N 3.15Å; F124-A128 PolarHBondContact O-N 2.86Å; F124-S139 WeakPolarHBondContact CE1-OG 3.28Å; F124-V141 HydrophobicContact CD1-CG2 3.47Å; F124-V141 VanDerWaalsContact CD1-CG2 3.47Å; F124-V141 HydrophobicContact CE1-CG2 3.61Å; F124-V141 HydrophobicContact CG-CG2 4.29Å; F124-L163 HydrophobicContact CB-CD1 3.85Å; F124-L163 HydrophobicContact CB-CD2 3.9Å; F124-L163 HydrophobicContact CD1-CD2 4.36Å; F124-L163 HydrophobicContact CD2-CD2 3.35Å; F124-L163 HydrophobicContact CE2-CD2 3.89Å; F124-L163 HydrophobicContact CG-CD1 4.26Å; F124-L163 HydrophobicContact CG-CD2 3.61Å; F124-Q167 HydrophobicContact CE2-CG 4.3Å; F124-Q167 HydrophobicContact CZ-CG 3.92Å; F124-Q167 PolarHBondContact O-NE2 3.26Å; F124-I182 HydrophobicContact CE2-CB 4.12Å; F124-I182 HydrophobicContact CE2-CG2 4.44Å; F124-L184 HydrophobicContact CB-CD1 4.05Å
125E87.7Confident81.5Confident125 Ų12547.4 Ų47.458%0.58425%0.253SS*.Hα-helixtrans-65.3-38.8174.9-73.9176.9-167.400111.8R121 Y122 A128 G129R121-E125 WeakPolarHBondContact O-CG 3.22Å; R121-E125 PolarHBondContact O-N 3.18Å; Y122-E125 PolarHBondContact O-N 2.92Å; E125-A128 CarbonylContact O-C 3.59Å; E125-A128 WeakPolarHBondContact O-CA 3.34Å; E125-A128 WeakPolarHBondContact O-CB 3.37Å; E125-A128 PolarHBondContact O-N 2.8Å; E125-A128 VanDerWaalsContact O-N 3.14Å; E125-G129 PolarHBondContact O-N 2.78Å
126D86.1Confident80.6Confident31 Ų3147.6 Ų47.617%0.16627%0.266CS..Hα-helixtrans-66.4-38.3176.4-170.349.4000111.9R38 Y122 H123 F124 G129 S130R38-D126 IonicContact CZ-OD2 3.43Å; R38-D126 VanDerWaalsContact NH1-CG 3.32Å; R38-D126 IonicContact NH1-OD2 2.87Å; R38-D126 PolarHBondContact NH1-OD2 3.47Å; R38-D126 IonicContact NH2-OD2 3.84Å; R38-D126 PolarHBondContact NH2-OD2 3.09Å; Y122-D126 PolarHBondContact O-N 3.24Å; H123-D126 PolarHBondContact O-N 3.02Å; F124-D126 VanDerWaalsContact C-N 3.35Å; D126-G129 PolarHBondContact O-N 3.48Å; D126-S130 PolarHBondContact O-N 3.2Å; D126-S130 VanDerWaalsContact O-N 3.13Å; D126-S130 PolarHBondContact O-OG 2.86Å; D126-S130 VanDerWaalsContact O-OG 3.09Å
127V83.4Confident79.9Confident7 Ų746.8 Ų46.84%0.04228%0.28CS..Hα-helixtrans-62.1-43168.71720000110.7H123 F124 G129 S130 N131 I182 L197H123-V127 WeakPolarHBondContact O-CG2 3.19Å; H123-V127 PolarHBondContact O-N 3.46Å; F124-V127 PolarHBondContact O-N 3.15Å; V127-G129 VanDerWaalsContact C-N 3.33Å; V127-G129 PolarHBondContact O-N 3.38Å; V127-S130 WeakPolarHBondContact O-CB 2.99Å; V127-S130 PolarHBondContact O-N 2.97Å; V127-N131 VanDerWaalsContact O-CG 3.3Å; V127-N131 PolarHBondContact O-N 2.83Å; V127-N131 VanDerWaalsContact O-N 3.13Å; V127-I182 HydrophobicContact CG1-CD1 4.14Å; V127-L197 HydrophobicContact CG2-CD2 4.43Å
128A80Confident79.4Confident3 Ų347.4 Ų47.43%0.02528%0.281CS..Hα-helixtrans-61.5-40176.500000112.5F124 E125 N131 K132 A133 Q167F124-A128 PolarHBondContact O-N 2.86Å; E125-A128 CarbonylContact O-C 3.59Å; E125-A128 WeakPolarHBondContact O-CA 3.34Å; E125-A128 WeakPolarHBondContact O-CB 3.37Å; E125-A128 PolarHBondContact O-N 2.8Å; E125-A128 VanDerWaalsContact O-N 3.14Å; A128-N131 CarbonylContact O-C 3.49Å; A128-N131 PolarHBondContact O-N 2.8Å; A128-N131 VanDerWaalsContact O-N 3.11Å; A128-K132 PolarHBondContact O-N 2.79Å; A128-A133 HydrophobicContact CB-CB 4.36Å; A128-A133 PolarHBondContact O-N 2.78Å; A128-Q167 VanDerWaalsContact CA-NE2 3.29Å; A128-Q167 VanDerWaalsContact CB-NE2 3.26Å
129G75.4Confident79Confident27 Ų2744.6 Ų44.628%0.27827%0.269SS..Hα-helixtrans-57.7-46.9174.600000112.6E125 D126 V127 N131 K132 S134E125-G129 PolarHBondContact O-N 2.78Å; D126-G129 PolarHBondContact O-N 3.48Å; V127-G129 VanDerWaalsContact C-N 3.33Å; V127-G129 PolarHBondContact O-N 3.38Å; G129-N131 PolarHBondContact O-N 2.86Å; G129-K132 PolarHBondContact O-N 2.94Å; G129-K132 VanDerWaalsContact O-N 3.13Å; G129-S134 WeakPolarHBondContact CA-OG 3.34Å; G129-S134 PolarHBondContact N-OG 2.79Å
130S72.2Confident78.9Confident23 Ų2350.6 Ų50.616%0.16130%0.297CS..Hα-helixtrans-60.9-32.7175.8-55.90000111.9D126 V127 K132D126-S130 PolarHBondContact O-N 3.2Å; D126-S130 VanDerWaalsContact O-N 3.13Å; D126-S130 PolarHBondContact O-OG 2.86Å; D126-S130 VanDerWaalsContact O-OG 3.09Å; V127-S130 WeakPolarHBondContact O-CB 2.99Å; V127-S130 PolarHBondContact O-N 2.97Å; S130-K132 VanDerWaalsContact C-N 3.33Å; S130-K132 PolarHBondContact O-N 2.85Å
131N68.6Low78.9Confident11 Ų1152.9 Ų52.96%0.05931%0.311CS..THydrogen-bonded Turntrans-86.21.9-179.7-66.1-10000114.4V40 V127 A128 G129 A133 Q167 V169V40-N131 WeakPolarHBondContact CB-OD1 3.39Å; V40-N131 WeakPolarHBondContact CG1-OD1 3.39Å; V127-N131 VanDerWaalsContact O-CG 3.3Å; V127-N131 PolarHBondContact O-N 2.83Å; V127-N131 VanDerWaalsContact O-N 3.13Å; A128-N131 CarbonylContact O-C 3.49Å; A128-N131 PolarHBondContact O-N 2.8Å; A128-N131 VanDerWaalsContact O-N 3.11Å; G129-N131 PolarHBondContact O-N 2.86Å; N131-A133 HydrophobicContact CB-CB 4.17Å; N131-A133 PolarHBondContact O-N 2.78Å; N131-A133 VanDerWaalsContact O-N 3.15Å; N131-Q167 PolarHBondContact ND2-OE1 3.41Å; N131-V169 HydrophobicContact CB-CG2 4.16Å
132K69.1Low78.8Confident147 Ų14755.3 Ų55.364%0.63932%0.32SS*.THydrogen-bonded Turntrans54.126.7-169.7-55.4179.4-179.8178.20112.8A128 G129 S130 S134A128-K132 PolarHBondContact O-N 2.79Å; G129-K132 PolarHBondContact O-N 2.94Å; G129-K132 VanDerWaalsContact O-N 3.13Å; S130-K132 VanDerWaalsContact C-N 3.33Å; S130-K132 PolarHBondContact O-N 2.85Å; K132-S134 VanDerWaalsContact C-N 3.34Å
133A62.1Low78.9Confident0 Ų055 Ų550%033%0.328CS..  trans-97.726.1178.300000111.9A128 N131 T138 S139 Q167 V169A128-A133 HydrophobicContact CB-CB 4.36Å; A128-A133 PolarHBondContact O-N 2.78Å; N131-A133 HydrophobicContact CB-CB 4.17Å; N131-A133 PolarHBondContact O-N 2.78Å; N131-A133 VanDerWaalsContact O-N 3.15Å; A133-T138 PolarHBondContact O-OG1 2.82Å; A133-S139 WeakPolarHBondContact O-CB 3.09Å; A133-Q167 HydrophobicContact CB-CB 4.06Å; A133-Q167 HydrophobicContact CB-CG 4.41Å; A133-V169 HydrophobicContact CB-CG2 4.43Å
134S60.7Low79.2Confident83 Ų8356.6 Ų56.658%0.5834%0.338SS*.  trans-88.30.6179.7-530000114.9G129 K132G129-S134 WeakPolarHBondContact CA-OG 3.34Å; G129-S134 PolarHBondContact N-OG 2.79Å; K132-S134 VanDerWaalsContact C-N 3.34Å
135A69.6Low79.4Confident54 Ų5460.4 Ų60.445%0.44636%0.361SS..SBendtrans-69.5151.5176.600000110.6G137 T138A135-G137 PolarHBondContact O-N 2.79Å; A135-T138 WeakPolarHBondContact CA-OG1 3.08Å; A135-T138 HydrophobicContact CB-CG2 3.84Å; A135-T138 PolarHBondContact N-OG1 3.43Å; A135-T138 PolarHBondContact O-N 2.88Å; A135-T138 PolarHBondContact O-OG1 3.07Å
136P66.6Low79.8Confident136 Ų13657.4 Ų57.488%0.88336%0.358SS*.THydrogen-bonded Turntrans-54.9126175.1-25.934.9000111
137G70.6Confident80.1Confident77 Ų7757.2 Ų57.279%0.79436%0.356SS*.THydrogen-bonded Turntrans79.48.1-178.900000115.6A135A135-G137 PolarHBondContact O-N 2.79Å
138T74.8Confident80.5Confident24 Ų2460 Ų6015%0.14737%0.374CS..SBendtrans-99.8-4.7173.160.30000114.1A133 A135 Q167 C168A133-T138 PolarHBondContact O-OG1 2.82Å; A135-T138 WeakPolarHBondContact CA-OG1 3.08Å; A135-T138 HydrophobicContact CB-CG2 3.84Å; A135-T138 PolarHBondContact N-OG1 3.43Å; A135-T138 PolarHBondContact O-N 2.88Å; A135-T138 PolarHBondContact O-OG1 3.07Å; T138-Q167 CarbonylContact O-C 3.52Å; T138-Q167 VanDerWaalsContact O-CA 3.32Å; T138-Q167 WeakPolarHBondContact O-CA 3.49Å; T138-C168 HydrophobicContact CG2-CB 4.49Å; T138-C168 PolarHBondContact O-N 3.24Å
139S82.1Confident81Confident39 Ų3965.8 Ų65.827%0.27340%0.399SS..EExtended strand (participates in β ladder)trans-143.9133.1176.4-177.20000109.5F124 A133 T166F124-S139 WeakPolarHBondContact CE1-OG 3.28Å; A133-S139 WeakPolarHBondContact O-CB 3.09Å; S139-T166 WeakPolarHBondContact CA-O 3.44Å
140E89Confident81.6Confident125 Ų12569.5 Ų69.558%0.58442%0.421SS*.EExtended strand (participates in β ladder)trans-141.3128-179.7-175.3-178.7-174.300110.2G165 T166E140-G165 CarbonylContact O-C 3.43Å; E140-G165 WeakPolarHBondContact O-CA 3.29Å; E140-T166 PolarHBondContact N-O 2.91Å; E140-T166 PolarHBondContact O-N 3.44Å
141V92.2Very high82.4Confident48 Ų4872.1 Ų72.129%0.29143%0.433SS..EExtended strand (participates in β ladder)trans-85.3120171.2177.60000108.6F124 V144 L163F124-V141 HydrophobicContact CD1-CG2 3.47Å; F124-V141 VanDerWaalsContact CD1-CG2 3.47Å; F124-V141 HydrophobicContact CE1-CG2 3.61Å; F124-V141 HydrophobicContact CG-CG2 4.29Å; V141-V144 HydrophobicContact CG1-CG2 3.63Å; V141-L163 HydrophobicContact CG1-CD1 3.9Å; V141-L163 HydrophobicContact CG1-CD2 4.45Å; V141-L163 HydrophobicContact CG1-CG 4Å; V141-L163 HydrophobicContact CG2-CD1 4.13Å
142R92.6Very high83.6Confident148 Ų14872.6 Ų72.656%0.55844%0.435SS*.EExtended strand (participates in β ladder)trans-87.4-43178.9-66.9-177.7172-172.9-4.2112.3T164 T166R142-T164 WeakPolarHBondContact CA-O 3.29Å; R142-T164 WeakPolarHBondContact CB-O 3.29Å; R142-T164 PolarHBondContact N-O 3.19Å; R142-T166 VanDerWaalsContact CZ-CG2 3.45Å
143A94.1Very high84.7Confident42 Ų4267.4 Ų67.435%0.34742%0.418SS..EExtended strand (participates in β ladder)trans-151.8147.4-177.400000111.3L163 T164A143-L163 CarbonylContact O-C 3.59Å; A143-L163 WeakPolarHBondContact O-CA 3.48Å; A143-T164 PolarHBondContact N-O 2.89Å; A143-T164 PolarHBondContact O-N 2.77Å
144V95.6Very high86.1Confident38 Ų3867.7 Ų67.723%0.2342%0.419CS..EExtended strand (participates in β ladder)trans-133.6120.3168.3-1720000107.3A120 R121 V141 F161 L163A120-V144 HydrophobicContact CB-CG1 4.22Å; R121-V144 HydrophobicContact CG-CG2 4.23Å; V141-V144 HydrophobicContact CG1-CG2 3.63Å; V144-F161 HydrophobicContact CG1-CD1 4.33Å; V144-L163 HydrophobicContact CG2-CB 4.38Å; V144-L163 HydrophobicContact CG2-CD1 3.76Å; V144-L163 HydrophobicContact CG2-CG 3.99Å
145V95.7Very high87.3Confident81 Ų8171.8 Ų71.849%0.49143%0.429SS..EExtended strand (participates in β ladder)trans-126.8131.6-174.3-176.20000108.7F161 L162V145-F161 CarbonylContact O-C 3.56Å; V145-F161 WeakPolarHBondContact O-CA 3.28Å; V145-L162 PolarHBondContact N-O 2.77Å; V145-L162 PolarHBondContact O-N 2.77Å
146A94.9Very high88Confident62 Ų6271.8 Ų71.851%0.51243%0.434SS..EExtended strand (participates in β ladder)trans-72.1132.9171.800000109.7F161A146-F161 HydrophobicContact CB-CD1 4.07Å; A146-F161 HydrophobicContact CB-CE1 3.79Å
147L93.2Very high89Confident27 Ų2765.7 Ų65.714%0.14140%0.395CS..PPolyproline II helixtrans-86.7121.9174.2-65.5174.5000108.9K149 L152 A160 L162 L236L147-K149 PolarHBondContact O-N 3.17Å; L147-L152 HydrophobicContact CB-CD1 4.18Å; L147-L152 HydrophobicContact CB-CD2 4.29Å; L147-L152 HydrophobicContact CD1-CD2 4.37Å; L147-A160 HydrophobicContact CB-CB 3.97Å; L147-A160 HydrophobicContact CD1-CB 4.38Å; L147-A160 PolarHBondContact N-O 2.98Å; L147-L162 HydrophobicContact CD1-CB 4.28Å; L147-L162 HydrophobicContact CD2-CB 3.94Å; L147-L162 HydrophobicContact CG-CB 4.13Å; L147-L236 HydrophobicContact CD1-CB 4.47Å; L147-L236 HydrophobicContact CD1-CD1 4.02Å
148P91.9Very high90Very high64 Ų6465.1 Ų65.142%0.41638%0.379SS..PPolyproline II helixtrans-60.3132.3177.3-21.633000110.5S150 D151P148-S150 PolarHBondContact O-N 3.47Å; P148-S150 VanDerWaalsContact O-N 3.15Å; P148-D151 PolarHBondContact O-N 2.77Å
149K89.1Confident90.8Very high126 Ų12664.8 Ų64.855%0.54838%0.377SS..G310 helixtrans-60.6-26178.5-60.4-169.9-175.2-1650113L147 D151 L152 C157 S158L147-K149 PolarHBondContact O-N 3.17Å; K149-D151 PolarHBondContact O-N 2.9Å; K149-L152 PolarHBondContact O-N 2.84Å; K149-C157 WeakPolarHBondContact CE-O 3.23Å; K149-C157 PolarHBondContact NZ-O 3.36Å; K149-S158 WeakPolarHBondContact CE-O 3.47Å; K149-S158 PolarHBondContact NZ-O 2.92Å
150S89.6Confident91.5Very high105 Ų10563.1 Ų63.173%0.73437%0.365SS*.G310 helixtrans-60.4-24.6174.952.30000113.4P148P148-S150 PolarHBondContact O-N 3.47Å; P148-S150 VanDerWaalsContact O-N 3.15Å
151D89.3Confident91.8Very high78 Ų7858.1 Ų58.142%0.41734%0.342SS..G310 helixtrans-98.9-1.8-172.5-55.1-4.4000111.3P148 K149 Q237P148-D151 PolarHBondContact O-N 2.77Å; K149-D151 PolarHBondContact O-N 2.9Å; D151-Q237 VanDerWaalsContact O-CB 3.32Å; D151-Q237 WeakPolarHBondContact O-CB 3.45Å; D151-Q237 WeakPolarHBondContact O-CG 3.29Å
152L92.2Very high92.1Very high20 Ų2056.3 Ų56.311%0.10533%0.331CS..  trans-109.1132-173.3-58.1178.9000111L147 K149 L154 A160 F187 Q237L147-L152 HydrophobicContact CB-CD1 4.18Å; L147-L152 HydrophobicContact CB-CD2 4.29Å; L147-L152 HydrophobicContact CD1-CD2 4.37Å; K149-L152 PolarHBondContact O-N 2.84Å; L152-L154 VanDerWaalsContact C-N 3.27Å; L152-A160 HydrophobicContact CD1-CB 3.4Å; L152-F187 HydrophobicContact CD1-CD1 4.21Å; L152-F187 HydrophobicContact CD1-CE1 3.89Å; L152-F187 HydrophobicContact CD2-CE1 3.89Å; L152-F187 HydrophobicContact CG-CE1 4.39Å; L152-Q237 HydrophobicContact CD2-CG 4.49Å
153S92.9Very high92.3Very high39 Ų3949.3 Ų49.327%0.27330%0.304SS..SBendtrans-79.4-10.8172.2-61.50000113.3E155 Q237 L239S153-E155 PolarHBondContact O-N 2.8Å; S153-Q237 VanDerWaalsContact CB-O 3.31Å; S153-Q237 WeakPolarHBondContact CB-O 3.39Å; S153-Q237 PolarHBondContact N-O 2.85Å; S153-Q237 PolarHBondContact OG-O 2.87Å; S153-L239 CarbonylContact C-O 3.59Å; S153-L239 WeakPolarHBondContact CB-O 3.2Å
154L90.8Very high92.3Very high6 Ų648.4 Ų48.43%0.03130%0.295CS..  trans-83.494.7179.6-171.669.9000109.6L152 C157 F187 L189 L239 L241L152-L154 VanDerWaalsContact C-N 3.27Å; L154-C157 HydrophobicContact CD2-CB 4.47Å; L154-F187 HydrophobicContact CB-CD1 4.45Å; L154-F187 HydrophobicContact CD2-CB 3.65Å; L154-F187 HydrophobicContact CD2-CD1 3.67Å; L154-F187 HydrophobicContact CD2-CE1 4.46Å; L154-F187 HydrophobicContact CD2-CG 3.73Å; L154-L189 HydrophobicContact CD2-CD1 4.47Å; L154-L189 HydrophobicContact CD2-CD2 4.41Å; L154-L239 WeakPolarHBondContact CA-O 3.32Å; L154-L239 WeakPolarHBondContact CB-O 3.06Å; L154-L239 HydrophobicContact CD2-CD2 4.19Å; L154-L239 PolarHBondContact N-O 3.24Å; L154-L241 HydrophobicContact CD1-CB 3.62Å
155E87.2Confident92.1Very high169 Ų16946.6 Ų46.679%0.7928%0.284SS*.THydrogen-bonded Turntrans-68.2156.1176.2-62-171.5-175.200112S153 C157S153-E155 PolarHBondContact O-N 2.8Å; E155-C157 PolarHBondContact O-N 3.33Å
156G83.8Confident91.8Very high53 Ų5343.3 Ų43.355%0.54626%0.263SS..THydrogen-bonded Turntrans75.10.2179.900000115.1S158 Q191G156-S158 PolarHBondContact O-N 3.3Å; G156-Q191 PolarHBondContact O-NE2 3.23Å; G156-Q191 PolarHBondContact O-OE1 2.97Å
157C87.6Confident91.2Very high9 Ų940.3 Ų40.36%0.06124%0.239CC..  trans-66.7126.1174.4-173.80000111.5K149 L154 E155 S159 R188 L189K149-C157 WeakPolarHBondContact CE-O 3.23Å; K149-C157 PolarHBondContact NZ-O 3.36Å; L154-C157 HydrophobicContact CD2-CB 4.47Å; E155-C157 PolarHBondContact O-N 3.33Å; C157-S159 PolarHBondContact SG-O 3.4Å; C157-R188 PolarHBondContact SG-O 3.19Å; C157-L189 HydrophobicContact CB-CD2 4.33Å
158S91.2Very high90.3Very high65 Ų6540.6 Ų40.646%0.45524%0.243SC..SBendtrans-71.7-41.6176.6-178.50000111.3K149 G156 R188K149-S158 WeakPolarHBondContact CE-O 3.47Å; K149-S158 PolarHBondContact NZ-O 2.92Å; G156-S158 PolarHBondContact O-N 3.3Å; S158-R188 PolarHBondContact N-O 2.83Å
159S93Very high89.1Confident17 Ų1738.3 Ų38.312%0.11923%0.227CC..EExtended strand (participates in β ladder)trans-158.8145.9178.463.80000110.2C157 R188C157-S159 PolarHBondContact SG-O 3.4Å; S159-R188 PolarHBondContact O-N 2.87Å; S159-R188 WeakPolarHBondContact OG-CD 3.43Å; S159-R188 WeakPolarHBondContact OG-CG 3.35Å
160A95.3Very high87.6Confident3 Ų335.2 Ų35.23%0.02523%0.225CC..EExtended strand (participates in β ladder)trans-132.2145174.700000111.6L147 L152 L186 F187L147-A160 HydrophobicContact CB-CB 3.97Å; L147-A160 HydrophobicContact CD1-CB 4.38Å; L147-A160 PolarHBondContact N-O 2.98Å; L152-A160 HydrophobicContact CD1-CB 3.4Å; A160-L186 CarbonylContact C-O 3.49Å; A160-L186 WeakPolarHBondContact CA-O 3.47Å; A160-F187 HydrophobicContact CB-CD1 3.8Å; A160-F187 HydrophobicContact CB-CE1 4.17Å; A160-F187 HydrophobicContact CB-CG 4.49Å
161F96.6Very high85.8Confident20 Ų2032 Ų329%0.08820%0.198CC..EExtended strand (participates in β ladder)trans-138.2142.7-176.7-64.1-86.1000111.4N116 A120 V144 V145 A146 G185 L186N116-F161 VanDerWaalsContact CA-CE2 3.44Å; N116-F161 HydrophobicContact CB-CE1 4.45Å; N116-F161 HydrophobicContact CB-CE2 4.36Å; N116-F161 HydrophobicContact CB-CZ 3.75Å; N116-F161 WeakPolarHBondContact O-CE2 3.13Å; A120-F161 HydrophobicContact CB-CB 4.01Å; V144-F161 HydrophobicContact CG1-CD1 4.33Å; V145-F161 CarbonylContact O-C 3.56Å; V145-F161 WeakPolarHBondContact O-CA 3.28Å; A146-F161 HydrophobicContact CB-CD1 4.07Å; A146-F161 HydrophobicContact CB-CE1 3.79Å; F161-G185 CarbonylContact O-C 3.55Å; F161-G185 WeakPolarHBondContact O-CA 3.5Å; F161-L186 PolarHBondContact N-O 2.74Å; F161-L186 PolarHBondContact O-N 3.18Å
162L96.8Very high83.7Confident11 Ų1134.7 Ų34.76%0.05821%0.206CC..EExtended strand (participates in β ladder)trans-107.1116164.8174.461.9000108.5V145 L147 L184 F232 Q233 L236V145-L162 PolarHBondContact N-O 2.77Å; V145-L162 PolarHBondContact O-N 2.77Å; L147-L162 HydrophobicContact CD1-CB 4.28Å; L147-L162 HydrophobicContact CD2-CB 3.94Å; L147-L162 HydrophobicContact CG-CB 4.13Å; L162-L184 CarbonylContact C-O 3.5Å; L162-L184 WeakPolarHBondContact CA-O 3.33Å; L162-F232 HydrophobicContact CD1-CD1 4.03Å; L162-F232 HydrophobicContact CD1-CE1 3.59Å; L162-Q233 HydrophobicContact CD2-CG 4.17Å; L162-L236 HydrophobicContact CD1-CD1 3.98Å
163L96.7Very high81.4Confident0 Ų042 Ų420%025%0.245CC..EExtended strand (participates in β ladder)trans-103.9139.4170.1179.8153.9000109.4A120 R121 F124 V141 A143 V144 H183 L184A120-L163 HydrophobicContact CB-CB 4.15Å; A120-L163 HydrophobicContact CB-CD1 4.12Å; R121-L163 HydrophobicContact CG-CD1 4.09Å; F124-L163 HydrophobicContact CB-CD1 3.85Å; F124-L163 HydrophobicContact CB-CD2 3.9Å; F124-L163 HydrophobicContact CD1-CD2 4.36Å; F124-L163 HydrophobicContact CD2-CD2 3.35Å; F124-L163 HydrophobicContact CE2-CD2 3.89Å; F124-L163 HydrophobicContact CG-CD1 4.26Å; F124-L163 HydrophobicContact CG-CD2 3.61Å; V141-L163 HydrophobicContact CG1-CD1 3.9Å; V141-L163 HydrophobicContact CG1-CD2 4.45Å; V141-L163 HydrophobicContact CG1-CG 4Å; V141-L163 HydrophobicContact CG2-CD1 4.13Å; A143-L163 CarbonylContact O-C 3.59Å; A143-L163 WeakPolarHBondContact O-CA 3.48Å; V144-L163 HydrophobicContact CG2-CB 4.38Å; V144-L163 HydrophobicContact CG2-CD1 3.76Å; V144-L163 HydrophobicContact CG2-CG 3.99Å; L163-H183 CarbonylContact O-C 3.57Å; L163-H183 WeakPolarHBondContact O-CA 3.46Å; L163-L184 HydrophobicContact CB-CB 4.27Å; L163-L184 HydrophobicContact CB-CD2 4.48Å; L163-L184 HydrophobicContact CD2-CB 4.39Å; L163-L184 PolarHBondContact N-O 3.35Å; L163-L184 PolarHBondContact O-N 3.07Å
164T95.2Very high79.2Confident24 Ų2443.7 Ų43.715%0.14725%0.249CC..EExtended strand (participates in β ladder)trans-123129.7168.1-62.30000108.4R142 A143 T181 H183R142-T164 WeakPolarHBondContact CA-O 3.29Å; R142-T164 WeakPolarHBondContact CB-O 3.29Å; R142-T164 PolarHBondContact N-O 3.19Å; A143-T164 PolarHBondContact N-O 2.89Å; A143-T164 PolarHBondContact O-N 2.77Å; T164-T181 HydrophobicContact CG2-CG2 4.08Å; T164-H183 VanDerWaalsContact CG2-CE1 3.44Å; T164-H183 WeakPolarHBondContact CG2-CE1 3.45Å; T164-H183 WeakPolarHBondContact CG2-ND1 3.31Å; T164-H183 PolarHBondContact OG1-ND1 3.41Å
165G91.8Very high77Confident0 Ų053 Ų530%029%0.293CS..EExtended strand (participates in β ladder)trans-146.3173.9176.800000111.6E140 T181 I182E140-G165 CarbonylContact O-C 3.43Å; E140-G165 WeakPolarHBondContact O-CA 3.29Å; G165-T181 WeakPolarHBondContact O-CA 3.44Å; G165-I182 PolarHBondContact N-O 3.27Å; G165-I182 PolarHBondContact O-N 2.92Å
166T88.1Confident75.1Confident11 Ų1146.2 Ų46.27%0.06727%0.265CS..EExtended strand (participates in β ladder)trans-123.2141.5174.142.20000110.3S139 E140 R142 T179 V180 L204S139-T166 WeakPolarHBondContact CA-O 3.44Å; E140-T166 PolarHBondContact N-O 2.91Å; E140-T166 PolarHBondContact O-N 3.44Å; R142-T166 VanDerWaalsContact CZ-CG2 3.45Å; T166-T179 HydrophobicContact CG2-CG2 4.38Å; T166-V180 CarbonylContact C-O 3.48Å; T166-V180 WeakPolarHBondContact CA-O 3.35Å; T166-L204 HydrophobicContact CG2-CD1 4.32Å
167Q82.8Confident73.9Confident0 Ų050.6 Ų50.60%027%0.269CS..EExtended strand (participates in β ladder)trans-124.9132.3173.6-63.9-174.9-100109.7F124 A128 N131 A133 T138 V169 V180 I182F124-Q167 HydrophobicContact CE2-CG 4.3Å; F124-Q167 HydrophobicContact CZ-CG 3.92Å; F124-Q167 PolarHBondContact O-NE2 3.26Å; A128-Q167 VanDerWaalsContact CA-NE2 3.29Å; A128-Q167 VanDerWaalsContact CB-NE2 3.26Å; N131-Q167 PolarHBondContact ND2-OE1 3.41Å; A133-Q167 HydrophobicContact CB-CB 4.06Å; A133-Q167 HydrophobicContact CB-CG 4.41Å; T138-Q167 CarbonylContact O-C 3.52Å; T138-Q167 VanDerWaalsContact O-CA 3.32Å; T138-Q167 WeakPolarHBondContact O-CA 3.49Å; Q167-V169 HydrophobicContact CB-CG2 4.33Å; Q167-V180 PolarHBondContact N-O 2.79Å; Q167-V180 PolarHBondContact O-N 2.93Å; Q167-I182 HydrophobicContact CB-CD1 4.22Å; Q167-I182 HydrophobicContact CG-CD1 3.83Å; Q167-I182 VanDerWaalsContact OE1-CD1 3.23Å
168C74Confident72.9Confident33 Ų3350.8 Ų50.822%0.22327%0.27CS..EExtended strand (participates in β ladder)trans-94.1105172-69.40000107.9T138T138-C168 HydrophobicContact CG2-CB 4.49Å; T138-C168 PolarHBondContact O-N 3.24Å
169V66.8Low72.1Confident15 Ų1549.8 Ų49.89%0.09126%0.261CS..EExtended strand (participates in β ladder)trans-104.7117.1-178.6-173.90000108.6F41 N131 A133 Q167 N178F41-V169 HydrophobicContact CE2-CG1 4.47Å; F41-V169 HydrophobicContact CZ-CG1 4.45Å; N131-V169 HydrophobicContact CB-CG2 4.16Å; A133-V169 HydrophobicContact CB-CG2 4.43Å; Q167-V169 HydrophobicContact CB-CG2 4.33Å; V169-N178 PolarHBondContact N-O 3.22Å; V169-N178 PolarHBondContact O-N 2.98Å; V169-N178 VanDerWaalsContact O-N 3.09Å
170A58.6Low71.7Confident61 Ų6150.2 Ų50.250%0.50426%0.263SS..EExtended strand (participates in β ladder)trans-83.9117.9168.300000108.5
171K51.1Low71.4Confident37 Ų3750.4 Ų50.416%0.16126%0.264CS..  trans-87136.2170.9-66-169.2172.5167.80108.4F41 C43 N173 E174F41-K171 HydrophobicContact CE1-CB 4.37Å; F41-K171 HydrophobicContact CE1-CD 3.74Å; F41-K171 HydrophobicContact CE1-CG 3.65Å; F41-K171 HydrophobicContact CZ-CB 4.46Å; F41-K171 HydrophobicContact CZ-CD 4.29Å; F41-K171 HydrophobicContact CZ-CG 3.73Å; C43-K171 HydrophobicContact CB-CD 4.46Å; C43-K171 VanDerWaalsContact SG-CD 3.57Å; C43-K171 PolarHBondContact SG-NZ 3.21Å; K171-N173 PolarHBondContact O-N 2.89Å; K171-E174 PolarHBondContact O-N 3.06Å
172F45.3Very low71.1Confident135 Ų13549.5 Ų49.559%0.59226%0.26SS*.THydrogen-bonded Turntrans45.650.4164.4-66.9-80.6000117.9F41 E174F41-F172 HydrophobicContact CE1-CE2 4.37Å; F172-E174 PolarHBondContact O-N 2.8Å
173N43.8Very low71.1Confident173 Ų17349.6 Ų49.693%0.92526%0.26SS*.THydrogen-bonded Turntrans59.220.3172.5-15547.3000114K171K171-N173 PolarHBondContact O-N 2.89Å
174E46.8Very low71Confident75 Ų7549.6 Ų49.635%0.3526%0.26SS..  trans-81.5145.2172.4-72.8177.9171.800110.4K171 F172 A176K171-E174 PolarHBondContact O-N 3.06Å; F172-E174 PolarHBondContact O-N 2.8Å; E174-A176 HydrophobicContact CB-CB 4.29Å; E174-A176 PolarHBondContact O-N 3.17Å
175E45Very low71.1Confident202 Ų20248.5 Ų48.594%0.94425%0.253SS*.SBendtrans-65.5-13.4168.5-67.1-166.9156.200112.5K177E175-K177 PolarHBondContact O-N 3.38Å
176A46.9Very low71.3Confident26 Ų2648.5 Ų48.522%0.21525%0.253CS..  trans-78.5101.2179.900000111.8E174 N178 S207E174-A176 HydrophobicContact CB-CB 4.29Å; E174-A176 PolarHBondContact O-N 3.17Å; A176-N178 PolarHBondContact O-N 2.78Å; A176-S207 WeakPolarHBondContact CB-OG 3.17Å
177K59.3Low71.7Confident146 Ų14648 Ų4864%0.63525%0.25SC*.EExtended strand (participates in β ladder)trans-78.8113.5170.7-63.6177.9-177.3178.20109E175E175-K177 PolarHBondContact O-N 3.38Å
178N66.2Low72.3Confident13 Ų1348.8 Ų48.87%0.0725%0.253CS..EExtended strand (participates in β ladder)trans-83.4122.5169.6-69.8-47.3000108.2V169 A176 S205 S207 S210V169-N178 PolarHBondContact N-O 3.22Å; V169-N178 PolarHBondContact O-N 2.98Å; V169-N178 VanDerWaalsContact O-N 3.09Å; A176-N178 PolarHBondContact O-N 2.78Å; N178-S205 PolarHBondContact OD1-O 3.16Å; N178-S207 PolarHBondContact OD1-N 3.46Å; N178-S210 PolarHBondContact ND2-OG 3.17Å
179T74.8Confident73.2Confident44 Ų4447.2 Ų47.227%0.2724%0.242SC..EExtended strand (participates in β ladder)trans-90.8122.7175.4-54.40000109T166 L204T166-T179 HydrophobicContact CG2-CG2 4.38Å; T179-L204 HydrophobicContact CG2-CD1 4.06Å; T179-L204 PolarHBondContact O-N 2.8Å
180V83.7Confident74.4Confident26 Ų2649.2 Ų49.216%0.15826%0.256CS..EExtended strand (participates in β ladder)trans-114.6127.1177.8-1760000108.1T166 Q167 I182 N201 P203T166-V180 CarbonylContact C-O 3.48Å; T166-V180 WeakPolarHBondContact CA-O 3.35Å; Q167-V180 PolarHBondContact N-O 2.79Å; Q167-V180 PolarHBondContact O-N 2.93Å; V180-I182 HydrophobicContact CG1-CG1 4.11Å; V180-N201 HydrophobicContact CG1-CB 4.15Å; V180-P203 HydrophobicContact CG2-CB 4.49Å
181T89.5Confident76Confident7 Ų751 Ų514%0.04325%0.254CS..EExtended strand (participates in β ladder)trans-78.4131.8164.6-56.90000107.9T164 G165 H183 D202 L204T164-T181 HydrophobicContact CG2-CG2 4.08Å; G165-T181 WeakPolarHBondContact O-CA 3.44Å; T181-H183 WeakPolarHBondContact CG2-NE2 3.27Å; T181-D202 PolarHBondContact N-O 2.97Å; T181-D202 PolarHBondContact O-N 3.41Å; T181-L204 WeakPolarHBondContact OG1-CD1 3Å; T181-L204 WeakPolarHBondContact OG1-CD2 3.47Å; T181-L204 WeakPolarHBondContact OG1-CG 3.31Å
182I91Very high78Confident1 Ų152.4 Ų52.41%0.00526%0.26CS..EExtended strand (participates in β ladder)trans-118.8122.7175.8-57.7-176.3000107.7F124 V127 G165 Q167 V180 T199 F200F124-I182 HydrophobicContact CE2-CB 4.12Å; F124-I182 HydrophobicContact CE2-CG2 4.44Å; V127-I182 HydrophobicContact CG1-CD1 4.14Å; G165-I182 PolarHBondContact N-O 3.27Å; G165-I182 PolarHBondContact O-N 2.92Å; Q167-I182 HydrophobicContact CB-CD1 4.22Å; Q167-I182 HydrophobicContact CG-CD1 3.83Å; Q167-I182 VanDerWaalsContact OE1-CD1 3.23Å; V180-I182 HydrophobicContact CG1-CG1 4.11Å; I182-T199 HydrophobicContact CG2-CG2 3.67Å; I182-F200 WeakPolarHBondContact CA-O 3.35Å
183H95.1Very high80.3Confident13 Ų1349.6 Ų49.66%0.0626%0.257CS..EExtended strand (participates in β ladder)trans-101.8131.8168.2-55.8-79.3000108.6L163 T164 T181 T199 F200 L229 F232L163-H183 CarbonylContact O-C 3.57Å; L163-H183 WeakPolarHBondContact O-CA 3.46Å; T164-H183 VanDerWaalsContact CG2-CE1 3.44Å; T164-H183 WeakPolarHBondContact CG2-CE1 3.45Å; T164-H183 WeakPolarHBondContact CG2-ND1 3.31Å; T164-H183 PolarHBondContact OG1-ND1 3.41Å; T181-H183 WeakPolarHBondContact CG2-NE2 3.27Å; H183-T199 CarbonylContact O-C 3.55Å; H183-T199 WeakPolarHBondContact O-CA 3.4Å; H183-F200 HydrophobicContact CB-CB 4.24Å; H183-F200 HydrophobicContact CB-CD1 4.17Å; H183-F200 AromaticContact CD2-CD1 3.44Å; H183-F200 VanDerWaalsContact CD2-CD1 3.44Å; H183-F200 WeakPolarHBondContact CD2-CD1 3.49Å; H183-F200 AromaticContact CD2-CE1 3.82Å; H183-F200 PolarHBondContact N-O 2.63Å; H183-F200 PolarHBondContact O-N 3.36Å; H183-L229 HydrophobicContact CB-CD1 4.44Å; H183-F232 HydrophobicContact CB-CD1 3.66Å; H183-F232 HydrophobicContact CB-CE1 3.49Å; H183-F232 VanDerWaalsContact CB-CE1 3.49Å; H183-F232 HydrophobicContact CB-CG 4.49Å; H183-F232 HydrophobicContact CB-CZ 4.21Å
184L95.7Very high82.7Confident0 Ų042 Ų420%022%0.217CC..EExtended strand (participates in β ladder)trans-128.4117.1-173.5-177.3159.9000108.6A120 H123 F124 L162 L163 L186 L197 V198A120-L184 HydrophobicContact CB-CD2 4.45Å; H123-L184 HydrophobicContact CB-CD1 4.24Å; F124-L184 HydrophobicContact CB-CD1 4.05Å; L162-L184 CarbonylContact C-O 3.5Å; L162-L184 WeakPolarHBondContact CA-O 3.33Å; L163-L184 HydrophobicContact CB-CB 4.27Å; L163-L184 HydrophobicContact CB-CD2 4.48Å; L163-L184 HydrophobicContact CD2-CB 4.39Å; L163-L184 PolarHBondContact N-O 3.35Å; L163-L184 PolarHBondContact O-N 3.07Å; L184-L186 HydrophobicContact CD2-CB 3.99Å; L184-L197 HydrophobicContact CD1-CD1 3.84Å; L184-L197 HydrophobicContact CD2-CD1 3.46Å; L184-L197 VanDerWaalsContact CD2-CD1 3.46Å; L184-L197 HydrophobicContact CG-CD1 3.52Å; L184-L197 HydrophobicContact CG-CG 4.45Å; L184-V198 CarbonylContact C-O 3.59Å; L184-V198 WeakPolarHBondContact CA-O 3.32Å
185G96.8Very high84.9Confident0 Ų038.5 Ų38.50%020%0.201CC..EExtended strand (participates in β ladder)trans-97124168.700000109.5F161 V198F161-G185 CarbonylContact O-C 3.55Å; F161-G185 WeakPolarHBondContact O-CA 3.5Å; G185-V198 PolarHBondContact N-O 2.96Å; G185-V198 PolarHBondContact O-N 3.41Å
186L96.8Very high87.3Confident0 Ų028.9 Ų28.90%016%0.156CC..EExtended strand (participates in β ladder)trans-116.5125.8176.8176.766.9000109.2A119 A120 A160 F161 L184 R188 D195 L197A119-L186 HydrophobicContact CB-CD2 3.75Å; A120-L186 HydrophobicContact CB-CD2 4.23Å; A160-L186 CarbonylContact C-O 3.49Å; A160-L186 WeakPolarHBondContact CA-O 3.47Å; F161-L186 PolarHBondContact N-O 2.74Å; F161-L186 PolarHBondContact O-N 3.18Å; L184-L186 HydrophobicContact CD2-CB 3.99Å; L186-R188 HydrophobicContact CD2-CG 4.24Å; L186-R188 HydrophobicContact CG-CG 4.14Å; L186-D195 HydrophobicContact CD1-CB 3.87Å; L186-L197 HydrophobicContact CD1-CD1 4.15Å
187F95.7Very high89.7Confident0 Ų027.7 Ų27.70%015%0.146CC..EExtended strand (participates in β ladder)trans-117.2125.2170.7-55.8-97.6000109.6L152 L154 A160 D195 V196 V198 L236 L239L152-F187 HydrophobicContact CD1-CD1 4.21Å; L152-F187 HydrophobicContact CD1-CE1 3.89Å; L152-F187 HydrophobicContact CD2-CE1 3.89Å; L152-F187 HydrophobicContact CG-CE1 4.39Å; L154-F187 HydrophobicContact CB-CD1 4.45Å; L154-F187 HydrophobicContact CD2-CB 3.65Å; L154-F187 HydrophobicContact CD2-CD1 3.67Å; L154-F187 HydrophobicContact CD2-CE1 4.46Å; L154-F187 HydrophobicContact CD2-CG 3.73Å; A160-F187 HydrophobicContact CB-CD1 3.8Å; A160-F187 HydrophobicContact CB-CE1 4.17Å; A160-F187 HydrophobicContact CB-CG 4.49Å; F187-D195 CarbonylContact O-C 3.5Å; F187-D195 WeakPolarHBondContact O-CA 3.29Å; F187-V196 HydrophobicContact CB-CB 4.21Å; F187-V196 HydrophobicContact CD2-CB 4.45Å; F187-V196 PolarHBondContact N-O 3.14Å; F187-V196 PolarHBondContact O-N 3.42Å; F187-V198 HydrophobicContact CE2-CG2 4.11Å; F187-L236 HydrophobicContact CE2-CD2 3.71Å; F187-L236 HydrophobicContact CZ-CB 3.92Å; F187-L236 HydrophobicContact CZ-CD2 3.96Å; F187-L236 HydrophobicContact CZ-CG 4.5Å; F187-L236 VanDerWaalsContact CZ-O 3.32Å; F187-L236 WeakPolarHBondContact CZ-O 3.43Å; F187-L239 HydrophobicContact CD2-CD2 3.75Å; F187-L239 HydrophobicContact CE2-CD2 3.59Å; F187-L239 HydrophobicContact CG-CD2 4.32Å; F187-L239 HydrophobicContact CZ-CB 4.47Å; F187-L239 HydrophobicContact CZ-CD2 4.03Å
188R94.6Very high91.4Very high17 Ų1720.7 Ų20.76%0.06412%0.115CC..EExtended strand (participates in β ladder)trans-101.5123.5-177.4-49.6-159.774.6-174.29.2110.5L110 Q111 V114 C157 S158 S159 L186 P190 D195L110-R188 HydrophobicContact CD1-CB 4.49Å; Q111-R188 PolarHBondContact O-NH2 3.49Å; V114-R188 PolarHBondContact O-NH1 3.1Å; V114-R188 PolarHBondContact O-NH2 3.02Å; C157-R188 PolarHBondContact SG-O 3.19Å; S158-R188 PolarHBondContact N-O 2.83Å; S159-R188 PolarHBondContact O-N 2.87Å; S159-R188 WeakPolarHBondContact OG-CD 3.43Å; S159-R188 WeakPolarHBondContact OG-CG 3.35Å; L186-R188 HydrophobicContact CD2-CG 4.24Å; L186-R188 HydrophobicContact CG-CG 4.14Å; R188-P190 VanDerWaalsContact C-CD 3.48Å; R188-P190 WeakPolarHBondContact O-CD 3.36Å; R188-D195 WeakPolarHBondContact CA-OD1 3.37Å; R188-D195 WeakPolarHBondContact CB-OD1 3.41Å; R188-D195 VanDerWaalsContact CG-OD1 3.27Å; R188-D195 WeakPolarHBondContact CG-OD1 3.4Å; R188-D195 IonicContact CZ-OD1 2.91Å; R188-D195 IonicContact NE-OD1 3.18Å; R188-D195 PolarHBondContact NE-OD1 2.84Å; R188-D195 IonicContact NE-OD2 2.98Å; R188-D195 IonicContact NH2-OD1 3.44Å; R188-D195 IonicContact NH2-OD2 3.88Å
189L93.5Very high92.8Very high0 Ų020.6 Ų20.60%012%0.115CC..EExtended strand (participates in β ladder)trans-121.474179.2-61.5165.4000110.2L154 C157 Q191 F192 S193 T194 V196 F247L154-L189 HydrophobicContact CD2-CD1 4.47Å; L154-L189 HydrophobicContact CD2-CD2 4.41Å; C157-L189 HydrophobicContact CB-CD2 4.33Å; L189-Q191 PolarHBondContact O-N 3.14Å; L189-Q191 VanDerWaalsContact O-N 3.16Å; L189-F192 HydrophobicContact CB-CB 4.46Å; L189-F192 HydrophobicContact CB-CD2 4Å; L189-F192 HydrophobicContact CD1-CD2 4.29Å; L189-F192 CarbonylContact O-C 3.59Å; L189-F192 PolarHBondContact O-N 3.27Å; L189-S193 PolarHBondContact O-N 3.16Å; L189-T194 CarbonylContact C-O 3.54Å; L189-T194 WeakPolarHBondContact CA-O 3.31Å; L189-T194 WeakPolarHBondContact CB-O 3.46Å; L189-T194 PolarHBondContact N-O 3.09Å; L189-T194 PolarHBondContact O-N 3.1Å; L189-V196 HydrophobicContact CD1-CG2 3.76Å; L189-F247 HydrophobicContact CD1-CE1 4.31Å; L189-F247 HydrophobicContact CD1-CE2 4.19Å; L189-F247 HydrophobicContact CD1-CZ 3.69Å
190P92.4Very high93.7Very high58 Ų5818.5 Ų18.538%0.37710%0.102SC..G310 helixtrans-58.9-28.6-177.8-23.734.3000114.5L110 R188 F192 S193L110-P190 HydrophobicContact CD1-CG 4.41Å; L110-P190 HydrophobicContact CD2-CB 4.05Å; L110-P190 HydrophobicContact CD2-CG 4.5Å; R188-P190 VanDerWaalsContact C-CD 3.48Å; R188-P190 WeakPolarHBondContact O-CD 3.36Å; P190-F192 PolarHBondContact O-N 3.4Å; P190-S193 PolarHBondContact O-N 2.76Å; P190-S193 VanDerWaalsContact O-N 3.08Å
191Q92.6Very high94Very high98 Ų9818.2 Ų18.246%0.45810%0.1SC..G310 helixtrans-62-24175.970.3-8321.400113.2G156 L189G156-Q191 PolarHBondContact O-NE2 3.23Å; G156-Q191 PolarHBondContact O-OE1 2.97Å; L189-Q191 PolarHBondContact O-N 3.14Å; L189-Q191 VanDerWaalsContact O-N 3.16Å
192F92.8Very high93.9Very high66 Ų6619.8 Ų19.829%0.28911%0.108SC..G310 helixtrans-11110.5176.9-57.9-56.5000111.9L189 P190 T194 L241 P244 F247L189-F192 HydrophobicContact CB-CB 4.46Å; L189-F192 HydrophobicContact CB-CD2 4Å; L189-F192 HydrophobicContact CD1-CD2 4.29Å; L189-F192 CarbonylContact O-C 3.59Å; L189-F192 PolarHBondContact O-N 3.27Å; P190-F192 PolarHBondContact O-N 3.4Å; F192-T194 PolarHBondContact O-N 2.86Å; F192-T194 PolarHBondContact O-OG1 3.2Å; F192-L241 HydrophobicContact CE2-CD2 3.79Å; F192-L241 HydrophobicContact CZ-CD2 4.28Å; F192-P244 HydrophobicContact CE1-CB 3.76Å; F192-P244 HydrophobicContact CZ-CB 3.63Å; F192-F247 HydrophobicContact CB-CB 3.82Å; F192-F247 HydrophobicContact CB-CD1 4.44Å; F192-F247 HydrophobicContact CB-CD2 3.81Å; F192-F247 HydrophobicContact CB-CE2 4.5Å; F192-F247 HydrophobicContact CB-CG 3.77Å; F192-F247 HydrophobicContact CD1-CB 4.3Å; F192-F247 AromaticContact CD1-CD2 3.88Å; F192-F247 HydrophobicContact CD1-CD2 3.88Å; F192-F247 HydrophobicContact CD1-CG 4.43Å; F192-F247 AromaticContact CD2-CD2 3.51Å; F192-F247 HydrophobicContact CD2-CD2 3.51Å; F192-F247 AromaticContact CD2-CE2 3.59Å; F192-F247 HydrophobicContact CD2-CE2 3.59Å; F192-F247 HydrophobicContact CD2-CG 4.33Å; F192-F247 HydrophobicContact CD2-CZ 4.48Å; F192-F247 HydrophobicContact CE1-CD2 4.34Å; F192-F247 HydrophobicContact CE2-CD2 4.02Å; F192-F247 AromaticContact CE2-CE2 3.96Å; F192-F247 HydrophobicContact CE2-CE2 3.96Å; F192-F247 HydrophobicContact CG-CB 4.17Å; F192-F247 AromaticContact CG-CD2 3.45Å; F192-F247 HydrophobicContact CG-CD2 3.45Å; F192-F247 VanDerWaalsContact CG-CD2 3.45Å; F192-F247 HydrophobicContact CG-CE2 4.05Å; F192-F247 AromaticContact CG-CG 3.95Å; F192-F247 HydrophobicContact CG-CG 3.95Å; F192-F247 HydrophobicContact CZ-CD2 4.42Å
193S93.1Very high93.4Very high76 Ų7621.3 Ų21.353%0.53112%0.118SC..THydrogen-bonded Turntrans45.735.2-171.9-57.60000113.4L110 L189 P190L110-S193 VanDerWaalsContact CB-O 3.29Å; L110-S193 WeakPolarHBondContact CB-O 3.33Å; L110-S193 PolarHBondContact N-O 2.91Å; L189-S193 PolarHBondContact O-N 3.16Å; P190-S193 PolarHBondContact O-N 2.76Å; P190-S193 VanDerWaalsContact O-N 3.08Å
194T93.5Very high92.2Very high15 Ų1525 Ų259%0.09214%0.138CC..EExtended strand (participates in β ladder)trans-126.4140.1-171.8-64.70000111.7L107 L108 L189 F192 V196 F247L107-T194 HydrophobicContact CB-CG2 4.48Å; L108-T194 CarbonylContact O-C 3.58Å; L108-T194 VanDerWaalsContact O-CA 3.29Å; L108-T194 WeakPolarHBondContact O-CA 3.43Å; L108-T194 WeakPolarHBondContact O-CG2 3.41Å; L189-T194 CarbonylContact C-O 3.54Å; L189-T194 WeakPolarHBondContact CA-O 3.31Å; L189-T194 WeakPolarHBondContact CB-O 3.46Å; L189-T194 PolarHBondContact N-O 3.09Å; L189-T194 PolarHBondContact O-N 3.1Å; F192-T194 PolarHBondContact O-N 2.86Å; F192-T194 PolarHBondContact O-OG1 3.2Å; T194-V196 HydrophobicContact CG2-CG2 4.42Å; T194-F247 HydrophobicContact CG2-CD1 3.71Å; T194-F247 HydrophobicContact CG2-CE1 3.65Å
195D94.6Very high90.2Very high0 Ų028.6 Ų28.60%016%0.163CC..EExtended strand (participates in β ladder)trans-106.9125.7163.1-80.3-29.8000108L108 L110 Q111 H123 L186 F187 R188L108-D195 HydrophobicContact CB-CB 4.36Å; L108-D195 WeakPolarHBondContact CB-O 3.44Å; L108-D195 PolarHBondContact N-O 3.3Å; L108-D195 PolarHBondContact O-N 3.01Å; L110-D195 VanDerWaalsContact CD1-OD1 3.31Å; L110-D195 WeakPolarHBondContact CD1-OD1 3.44Å; Q111-D195 PolarHBondContact N-OD2 3.13Å; H123-D195 IonicContact CE1-OD2 3.58Å; H123-D195 IonicContact NE2-OD2 3.93Å; H123-D195 PolarHBondContact NE2-OD2 3.28Å; H123-D195 VanDerWaalsContact NE2-OD2 3.07Å; L186-D195 HydrophobicContact CD1-CB 3.87Å; F187-D195 CarbonylContact O-C 3.5Å; F187-D195 WeakPolarHBondContact O-CA 3.29Å; R188-D195 WeakPolarHBondContact CA-OD1 3.37Å; R188-D195 WeakPolarHBondContact CB-OD1 3.41Å; R188-D195 VanDerWaalsContact CG-OD1 3.27Å; R188-D195 WeakPolarHBondContact CG-OD1 3.4Å; R188-D195 IonicContact CZ-OD1 2.91Å; R188-D195 IonicContact NE-OD1 3.18Å; R188-D195 PolarHBondContact NE-OD1 2.84Å; R188-D195 IonicContact NE-OD2 2.98Å; R188-D195 IonicContact NH2-OD1 3.44Å; R188-D195 IonicContact NH2-OD2 3.88Å
196V95.6Very high88.1Confident0 Ų031.9 Ų31.90%018%0.179CC..EExtended strand (participates in β ladder)trans-93.1117.4170.6-173.30000108.2V105 L107 F187 L189 T194 L239 F247V105-V196 HydrophobicContact CG1-CG1 4.21Å; L107-V196 HydrophobicContact CD2-CB 4.45Å; L107-V196 HydrophobicContact CD2-CG1 4.05Å; L107-V196 HydrophobicContact CD2-CG2 3.9Å; F187-V196 HydrophobicContact CB-CB 4.21Å; F187-V196 HydrophobicContact CD2-CB 4.45Å; F187-V196 PolarHBondContact N-O 3.14Å; F187-V196 PolarHBondContact O-N 3.42Å; L189-V196 HydrophobicContact CD1-CG2 3.76Å; T194-V196 HydrophobicContact CG2-CG2 4.42Å; V196-L239 HydrophobicContact CG1-CD2 4.06Å; V196-F247 HydrophobicContact CG2-CE1 4.48Å
197L95.9Very high85.4Confident1 Ų133 Ų331%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-107.8122.1-178.3-170.370000110V105 E106 L108 H123 V127 L184 L186V105-L197 CarbonylContact C-O 3.54Å; V105-L197 WeakPolarHBondContact CA-O 3.37Å; E106-L197 PolarHBondContact N-O 2.92Å; E106-L197 PolarHBondContact O-N 3.16Å; L108-L197 HydrophobicContact CD1-CB 3.77Å; L108-L197 HydrophobicContact CD1-CD2 3.68Å; L108-L197 HydrophobicContact CD1-CG 4.31Å; L108-L197 HydrophobicContact CG-CB 4.48Å; H123-L197 HydrophobicContact CB-CD1 3.99Å; H123-L197 HydrophobicContact CB-CD2 4.4Å; V127-L197 HydrophobicContact CG2-CD2 4.43Å; L184-L197 HydrophobicContact CD1-CD1 3.84Å; L184-L197 HydrophobicContact CD2-CD1 3.46Å; L184-L197 VanDerWaalsContact CD2-CD1 3.46Å; L184-L197 HydrophobicContact CG-CD1 3.52Å; L184-L197 HydrophobicContact CG-CG 4.45Å; L186-L197 HydrophobicContact CD1-CD1 4.15Å
198V96.2Very high82.9Confident0 Ų038.9 Ų38.90%023%0.225CC..EExtended strand (participates in β ladder)trans-110.9121.4171.2-168.30000108.2I103 I104 V105 L184 G185 F187 F232 L235 L236I103-V198 HydrophobicContact CG2-CG1 4.11Å; I104-V198 CarbonylContact O-C 3.59Å; I104-V198 VanDerWaalsContact O-CA 3.28Å; I104-V198 WeakPolarHBondContact O-CA 3.4Å; V105-V198 HydrophobicContact CG1-CG2 4.39Å; V105-V198 HydrophobicContact CG2-CG1 4.23Å; V105-V198 HydrophobicContact CG2-CG2 4.49Å; L184-V198 CarbonylContact C-O 3.59Å; L184-V198 WeakPolarHBondContact CA-O 3.32Å; G185-V198 PolarHBondContact N-O 2.96Å; G185-V198 PolarHBondContact O-N 3.41Å; F187-V198 HydrophobicContact CE2-CG2 4.11Å; V198-F232 HydrophobicContact CB-CE2 4.25Å; V198-F232 HydrophobicContact CB-CZ 4.36Å; V198-F232 HydrophobicContact CG1-CE2 3.55Å; V198-F232 HydrophobicContact CG1-CZ 4.15Å; V198-L235 HydrophobicContact CG1-CD2 3.71Å; V198-L235 HydrophobicContact CG2-CD2 4.3Å; V198-L236 HydrophobicContact CB-CD2 3.71Å; V198-L236 HydrophobicContact CG1-CD2 4.11Å; V198-L236 HydrophobicContact CG2-CD2 3.81Å
199T94.5Very high80.4Confident10 Ų1040.9 Ų40.96%0.06125%0.251CS..EExtended strand (participates in β ladder)trans-115.8125.2180-56.50000109.7I103 I104 I182 H183I103-T199 CarbonylContact C-O 3.53Å; I103-T199 VanDerWaalsContact CA-O 3.28Å; I103-T199 WeakPolarHBondContact CA-O 3.44Å; I104-T199 PolarHBondContact N-O 3.13Å; I104-T199 PolarHBondContact O-N 3.3Å; I182-T199 HydrophobicContact CG2-CG2 3.67Å; H183-T199 CarbonylContact O-C 3.55Å; H183-T199 WeakPolarHBondContact O-CA 3.4Å
200F93.6Very high77.9Confident1 Ų141 Ų410%0.00425%0.253CS..EExtended strand (participates in β ladder)trans-112.3114.3170.9169.7-135.1000109.5Q101 S102 I103 I182 H183 D202 W227 F232Q101-F200 HydrophobicContact CB-CE2 4.05Å; Q101-F200 HydrophobicContact CG-CE2 4.18Å; S102-F200 WeakPolarHBondContact O-CA 3.33Å; I103-F200 HydrophobicContact CG1-CB 4.24Å; I103-F200 HydrophobicContact CG1-CD2 3.76Å; I103-F200 HydrophobicContact CG1-CG 4.31Å; I182-F200 WeakPolarHBondContact CA-O 3.35Å; H183-F200 HydrophobicContact CB-CB 4.24Å; H183-F200 HydrophobicContact CB-CD1 4.17Å; H183-F200 AromaticContact CD2-CD1 3.44Å; H183-F200 VanDerWaalsContact CD2-CD1 3.44Å; H183-F200 WeakPolarHBondContact CD2-CD1 3.49Å; H183-F200 AromaticContact CD2-CE1 3.82Å; H183-F200 PolarHBondContact N-O 2.63Å; H183-F200 PolarHBondContact O-N 3.36Å; F200-D202 HydrophobicContact CE1-CB 4.03Å; F200-D202 HydrophobicContact CE2-CB 4.34Å; F200-D202 HydrophobicContact CZ-CB 3.85Å; F200-W227 HydrophobicContact CD2-CE3 4.49Å; F200-W227 HydrophobicContact CE2-CB 4.18Å; F200-W227 HydrophobicContact CE2-CE3 4.02Å; F200-W227 HydrophobicContact CZ-CB 4.02Å; F200-F232 HydrophobicContact CB-CD1 4.39Å; F200-F232 HydrophobicContact CB-CD2 3.36Å; F200-F232 HydrophobicContact CB-CE1 4.44Å; F200-F232 HydrophobicContact CB-CE2 3.41Å; F200-F232 VanDerWaalsContact CB-CE2 3.41Å; F200-F232 HydrophobicContact CB-CG 3.87Å; F200-F232 HydrophobicContact CB-CZ 3.98Å; F200-F232 HydrophobicContact CD1-CB 3.89Å; F200-F232 HydrophobicContact CD1-CD2 4.26Å; F200-F232 AromaticContact CD1-CG 3.99Å; F200-F232 HydrophobicContact CD1-CG 3.99Å; F200-F232 HydrophobicContact CG-CB 4.44Å; F200-F232 HydrophobicContact CG-CD2 4.05Å; F200-F232 HydrophobicContact CG-CG 4.26Å
201N89.8Confident75.8Confident19 Ų1942.3 Ų42.310%0.10226%0.263CS..EExtended strand (participates in β ladder)trans-93.1121.2175.5-59.3-50.8000108.9Q101 S102 V180Q101-N201 VanDerWaalsContact CA-O 3.31Å; Q101-N201 WeakPolarHBondContact CA-O 3.25Å; S102-N201 PolarHBondContact N-O 2.86Å; S102-N201 PolarHBondContact O-N 3.24Å; S102-N201 WeakPolarHBondContact OG-CB 3.44Å; S102-N201 PolarHBondContact OG-ND2 3.16Å; V180-N201 HydrophobicContact CG1-CB 4.15Å
202D87.2Confident73.6Confident40 Ų4038.2 Ų38.221%0.21425%0.245CC..EExtended strand (participates in β ladder)trans-12598.3-179.2-176.333.4000110.5Q101 T181 F200 L204Q101-D202 PolarHBondContact NE2-OD1 3.33Å; T181-D202 PolarHBondContact N-O 2.97Å; T181-D202 PolarHBondContact O-N 3.41Å; F200-D202 HydrophobicContact CE1-CB 4.03Å; F200-D202 HydrophobicContact CE2-CB 4.34Å; F200-D202 HydrophobicContact CZ-CB 3.85Å; D202-L204 PolarHBondContact O-N 2.86Å
203P81.8Confident71.2Confident33 Ų3336.7 Ų36.721%0.21425%0.245CC..EExtended strand (participates in β ladder)trans-70.8123.4-176.926.4-29.9000111.7D100 V180D100-P203 HydrophobicContact CB-CG 3.86Å; V180-P203 HydrophobicContact CG2-CB 4.49Å
204L68.9Low68.7Low92 Ų9239.4 Ų39.448%0.48226%0.258SS..SBendtrans-83.6-28-176.4-69.8178.2000114.2T166 T179 T181 D202T166-L204 HydrophobicContact CG2-CD1 4.32Å; T179-L204 HydrophobicContact CG2-CD1 4.06Å; T179-L204 PolarHBondContact O-N 2.8Å; T181-L204 WeakPolarHBondContact OG1-CD1 3Å; T181-L204 WeakPolarHBondContact OG1-CD2 3.47Å; T181-L204 WeakPolarHBondContact OG1-CG 3.31Å; D202-L204 PolarHBondContact O-N 2.86Å
205S54.8Low66.3Low75 Ų7541.5 Ų41.552%0.52428%0.283SS..  trans-156.4120.9-179.1-177.80000109.8N178N178-S205 PolarHBondContact OD1-O 3.16Å
206I51.7Low63.8Low68 Ų6850.3 Ų50.335%0.34933%0.326SS..  trans-92.1111.9164.8-62.1168.5000105.5D100 S212 A213D100-I206 WeakPolarHBondContact OD2-CD1 2.83Å; I206-S212 VanDerWaalsContact CG2-CB 3.5Å; I206-A213 HydrophobicContact CG2-CB 4.45Å
207S39.8Very low61Low24 Ų2453.7 Ų53.717%0.16836%0.36CS..  trans-59.4143175.176.20000110.3A176 N178 G209 S210A176-S207 WeakPolarHBondContact CB-OG 3.17Å; N178-S207 PolarHBondContact OD1-N 3.46Å; S207-G209 PolarHBondContact O-N 3.35Å; S207-S210 PolarHBondContact O-N 3.02Å; S207-S210 PolarHBondContact OG-N 2.88Å; S207-S210 PolarHBondContact OG-OG 2.97Å
208P44Very low58.3Low123 Ų12356.9 Ų56.980%0.79939%0.394SS*.THydrogen-bonded Turntrans-59.9-13.8179.1-21.630.8000114.6A213P208-A213 VanDerWaalsContact O-CB 3.29Å; P208-A213 WeakPolarHBondContact O-CB 3.25Å
209G42Very low55.5Low59 Ų5966.3 Ų66.361%0.60844%0.438SS*.THydrogen-bonded Turntrans-95.2-7.1176.900000114.7S207S207-G209 PolarHBondContact O-N 3.35Å
210S40.9Very low52.6Low4 Ų475 Ų753%0.02848%0.477CS..SBendtrans-75.2149.5176.1-72.70000110.8N178 S207 S212 A213N178-S210 PolarHBondContact ND2-OG 3.17Å; S207-S210 PolarHBondContact O-N 3.02Å; S207-S210 PolarHBondContact OG-N 2.88Å; S207-S210 PolarHBondContact OG-OG 2.97Å; S210-S212 PolarHBondContact O-N 3.29Å; S210-A213 VanDerWaalsContact O-CB 3.27Å; S210-A213 WeakPolarHBondContact O-CB 3.49Å; S210-A213 PolarHBondContact O-N 3.47Å
211S48.1Very low50Low85 Ų8583.4 Ų83.459%0.59452%0.517SS*.THydrogen-bonded Turntrans-55.6-17.4174.955.20000114.5A213S211-A213 VanDerWaalsContact C-N 3.33Å
212S45.9Very low47.8Very low12 Ų1290 Ų908%0.08455%0.547CS..THydrogen-bonded Turntrans-73.9-14.2170.4-65.90000114.4K46 D100 I206 S210K46-S212 PolarHBondContact NZ-O 3.43Å; D100-S212 WeakPolarHBondContact OD2-CB 3.42Å; D100-S212 PolarHBondContact OD2-OG 3.08Å; I206-S212 VanDerWaalsContact CG2-CB 3.5Å; S210-S212 PolarHBondContact O-N 3.29Å
213A43.4Very low45.8Very low34 Ų3495.3 Ų95.328%0.28158%0.576SS.*SBendtrans-88.7-20.2-175.900000114.4I206 P208 S210 S211 G215I206-A213 HydrophobicContact CG2-CB 4.45Å; P208-A213 VanDerWaalsContact O-CB 3.29Å; P208-A213 WeakPolarHBondContact O-CB 3.25Å; S210-A213 VanDerWaalsContact O-CB 3.27Å; S210-A213 WeakPolarHBondContact O-CB 3.49Å; S210-A213 PolarHBondContact O-N 3.47Å; S211-A213 VanDerWaalsContact C-N 3.33Å; A213-G215 PolarHBondContact O-N 2.81Å; A213-G215 VanDerWaalsContact O-N 3.16Å
214V41.2Very low44.8Very low132 Ų13296.1 Ų96.180%0.858%0.58SS**THydrogen-bonded Turntrans-89.588.3-176.6-164.90000109.8
215G42.9Very low45.3Very low60 Ų6098.9 Ų98.962%0.61959%0.59SS**THydrogen-bonded Turntrans178.512.3175.100000115.7A213 G217A213-G215 PolarHBondContact O-N 2.81Å; A213-G215 VanDerWaalsContact O-N 3.16Å; G215-G217 PolarHBondContact O-N 2.83Å
216M42.3Very low46.8Very low185 Ų18598.2 Ų98.291%0.91158%0.584SS**  trans-78.866.3172-64.9-65.2-65.700109.6
217G35.4Very low48.6Very low70 Ų7095.5 Ų95.572%0.72257%0.57SS**SBendtrans-137.273.1-17900000110.5G215G215-G217 PolarHBondContact O-N 2.83Å
218G40.6Very low51.1Low68 Ų6897.3 Ų97.370%0.70158%0.58SS**  trans55.697.1156.800000117.7
219E35.4Very low53.4Low198 Ų19894.7 Ų94.793%0.92556%0.559SS**  trans-166.6150142.4-103.8158-162.900108.6Q221E219-Q221 PolarHBondContact O-N 2.88Å
220Q35.6Very low55.8Low192 Ų19297.8 Ų97.890%0.89756%0.557SS**  trans-47.2122.6-158.8-66.9167.1-500114.4E222Q220-E222 PolarHBondContact O-N 3.16Å
221Q38.8Very low58.2Low179 Ų17999.2 Ų99.284%0.83657%0.565SS**  trans-73.889.2175.8-159.9159.6-3.400108E219 D223E219-Q221 PolarHBondContact O-N 2.88Å; Q221-D223 PolarHBondContact O-N 3.35Å
222E43.6Very low60.5Low157 Ų15795.2 Ų95.273%0.73454%0.537SS*.  trans-63.3121.3158.8-74.7-169.9161.500106.9Q220 T224Q220-E222 PolarHBondContact O-N 3.16Å; E222-T224 PolarHBondContact O-N 3.05Å; E222-T224 PolarHBondContact O-OG1 2.82Å; E222-T224 VanDerWaalsContact O-OG1 3.09Å
223D43.8Very low62.8Low152 Ų15298.1 Ų98.181%0.81355%0.549SS*.  trans-53.684.9173.4-76.1-35.4000110.1Q221Q221-D223 PolarHBondContact O-N 3.35Å
224T62.3Low65.2Low50 Ų50101.7 Ų101.731%0.30756%0.555SS.*  trans-104.886.9169.224.40000106.9H98 E222H98-T224 PolarHBondContact CD2-OG1 2.83Å; E222-T224 PolarHBondContact O-N 3.05Å; E222-T224 PolarHBondContact O-OG1 2.82Å; E222-T224 VanDerWaalsContact O-OG1 3.09Å
225E78.2Confident67.8Low149 Ų14995.4 Ų95.470%0.69652%0.517SS*.PPolyproline II helixtrans-49.4135.5171-76-74137.800110.2H96H96-E225 PolarHBondContact NE2-O 2.84Å
226P86.1Confident70.3Confident62 Ų6292.6 Ų92.640%0.40349%0.488SS..PPolyproline II helixtrans-61.5150.717627.8-34000111.3N99 T228N99-P226 VanDerWaalsContact ND2-CA 3.29Å; N99-P226 WeakPolarHBondContact ND2-CA 3.5Å; P226-T228 PolarHBondContact O-N 3.46Å
227W90.2Very high72.8Confident11 Ų1187.6 Ų87.64%0.04246%0.462CS..PPolyproline II helixtrans-63.4138.5170.8-57.9-24000109.7P75 S77 A78 H96 Q101 I103 F200P75-W227 VanDerWaalsContact CB-CD1 3.48Å; P75-W227 HydrophobicContact CB-CD2 4.07Å; P75-W227 HydrophobicContact CB-CG 4.01Å; P75-W227 HydrophobicContact CB-CZ2 4.28Å; P75-W227 HydrophobicContact CG-CD2 3.94Å; P75-W227 HydrophobicContact CG-CG 3.9Å; S77-W227 PolarHBondContact OG-NE1 3.49Å; A78-W227 HydrophobicContact CB-CH2 3.67Å; A78-W227 HydrophobicContact CB-CZ2 3.48Å; A78-W227 VanDerWaalsContact CB-CZ2 3.48Å; H96-W227 HydrophobicContact CB-CD2 4.47Å; H96-W227 HydrophobicContact CB-CE3 4.45Å; H96-W227 HydrophobicContact CB-CH2 3.78Å; H96-W227 HydrophobicContact CB-CZ2 3.72Å; H96-W227 HydrophobicContact CB-CZ3 4.13Å; H96-W227 AromaticContact CD2-CD1 3.78Å; H96-W227 AromaticContact CD2-CD2 3.9Å; H96-W227 AromaticContact CD2-CE2 3.46Å; H96-W227 VanDerWaalsContact CD2-CE2 3.46Å; H96-W227 AromaticContact CD2-CZ2 3.85Å; H96-W227 AromaticContact CD2-NE1 3.38Å; H96-W227 PolarHBondContact CD2-NE1 3.09Å; H96-W227 VanDerWaalsContact N-CH2 3.29Å; Q101-W227 HydrophobicContact CB-CE3 4.1Å; Q101-W227 HydrophobicContact CB-CZ3 4.41Å; Q101-W227 PolarHBondContact NE2-O 3.16Å; I103-W227 HydrophobicContact CB-CZ3 4.49Å; I103-W227 HydrophobicContact CD1-CD2 4.38Å; I103-W227 HydrophobicContact CD1-CE3 3.7Å; I103-W227 HydrophobicContact CD1-CZ3 3.87Å; I103-W227 HydrophobicContact CG1-CE3 3.92Å; I103-W227 HydrophobicContact CG1-CZ3 3.85Å; F200-W227 HydrophobicContact CD2-CE3 4.49Å; F200-W227 HydrophobicContact CE2-CB 4.18Å; F200-W227 HydrophobicContact CE2-CE3 4.02Å; F200-W227 HydrophobicContact CZ-CB 4.02Å
228T92.1Very high75.6Confident61 Ų6185.5 Ų85.537%0.37444%0.436SS..PPolyproline II helixtrans-103.5165.2-178.167.40000110.7P226 Q230 D231 F232P226-T228 PolarHBondContact O-N 3.46Å; T228-Q230 PolarHBondContact O-N 2.99Å; T228-Q230 VanDerWaalsContact O-N 3.17Å; T228-Q230 PolarHBondContact OG1-N 3.32Å; T228-D231 WeakPolarHBondContact CB-OD2 3.35Å; T228-D231 PolarHBondContact N-OD2 2.8Å; T228-D231 WeakPolarHBondContact O-CB 3.37Å; T228-D231 PolarHBondContact O-N 2.91Å; T228-D231 PolarHBondContact OG1-N 3.34Å; T228-D231 PolarHBondContact OG1-OD2 2.95Å; T228-F232 PolarHBondContact O-N 3.48Å; T228-F232 VanDerWaalsContact O-N 3.12Å
229L91.6Very high78.2Confident68 Ų6882.2 Ų82.236%0.35640%0.403SS..Hα-helixtrans-55.7-30.5168.4-179.857.8000112.2H183 F232 Q233H183-L229 HydrophobicContact CB-CD1 4.44Å; L229-F232 HydrophobicContact CD1-CD1 4.16Å; L229-F232 PolarHBondContact O-N 2.89Å; L229-Q233 HydrophobicContact CD1-CG 4.41Å; L229-Q233 HydrophobicContact CG-CG 4.47Å; L229-Q233 WeakPolarHBondContact O-CB 3.34Å; L229-Q233 WeakPolarHBondContact O-CG 3.36Å; L229-Q233 PolarHBondContact O-N 2.98Å
230Q92.8Very high81.1Confident125 Ų12578.6 Ų78.658%0.58438%0.381SS*.Hα-helixtrans-69.6-34.8177.3-169.1-178.89.100112.1T228 F232 R234T228-Q230 PolarHBondContact O-N 2.99Å; T228-Q230 VanDerWaalsContact O-N 3.17Å; T228-Q230 PolarHBondContact OG1-N 3.32Å; Q230-F232 VanDerWaalsContact C-N 3.35Å; Q230-R234 WeakPolarHBondContact O-CB 3.47Å; Q230-R234 WeakPolarHBondContact O-CG 3.06Å; Q230-R234 PolarHBondContact O-N 3.36Å; Q230-R234 PolarHBondContact O-NE 3.19Å
231D92.8Very high83.9Confident33 Ų3371.3 Ų71.318%0.17635%0.348CS..Hα-helixtrans-65.6-42.7172.3-60.2-54.7000110.7P75 T228 R234 L235P75-D231 HydrophobicContact CG-CB 4.2Å; T228-D231 WeakPolarHBondContact CB-OD2 3.35Å; T228-D231 PolarHBondContact N-OD2 2.8Å; T228-D231 WeakPolarHBondContact O-CB 3.37Å; T228-D231 PolarHBondContact O-N 2.91Å; T228-D231 PolarHBondContact OG1-N 3.34Å; T228-D231 PolarHBondContact OG1-OD2 2.95Å; D231-R234 PolarHBondContact O-N 2.97Å; D231-R234 IonicContact OD1-CZ 3.81Å; D231-R234 IonicContact OD1-NE 2.65Å; D231-R234 IonicContact OD1-NH1 3.09Å; D231-R234 PolarHBondContact OD1-NH1 3.44Å; D231-R234 IonicContact OD1-NH2 2.85Å; D231-R234 PolarHBondContact OD1-NH2 3.32Å; D231-L235 PolarHBondContact O-N 3.09Å
232F94.9Very high86.5Confident2 Ų267.9 Ų67.91%0.00933%0.331CS..Hα-helixtrans-61.9-46175-174.5-118000112.3L162 H183 V198 F200 T228 L229 Q230 R234 L235 L236L162-F232 HydrophobicContact CD1-CD1 4.03Å; L162-F232 HydrophobicContact CD1-CE1 3.59Å; H183-F232 HydrophobicContact CB-CD1 3.66Å; H183-F232 HydrophobicContact CB-CE1 3.49Å; H183-F232 VanDerWaalsContact CB-CE1 3.49Å; H183-F232 HydrophobicContact CB-CG 4.49Å; H183-F232 HydrophobicContact CB-CZ 4.21Å; V198-F232 HydrophobicContact CB-CE2 4.25Å; V198-F232 HydrophobicContact CB-CZ 4.36Å; V198-F232 HydrophobicContact CG1-CE2 3.55Å; V198-F232 HydrophobicContact CG1-CZ 4.15Å; F200-F232 HydrophobicContact CB-CD1 4.39Å; F200-F232 HydrophobicContact CB-CD2 3.36Å; F200-F232 HydrophobicContact CB-CE1 4.44Å; F200-F232 HydrophobicContact CB-CE2 3.41Å; F200-F232 VanDerWaalsContact CB-CE2 3.41Å; F200-F232 HydrophobicContact CB-CG 3.87Å; F200-F232 HydrophobicContact CB-CZ 3.98Å; F200-F232 HydrophobicContact CD1-CB 3.89Å; F200-F232 HydrophobicContact CD1-CD2 4.26Å; F200-F232 AromaticContact CD1-CG 3.99Å; F200-F232 HydrophobicContact CD1-CG 3.99Å; F200-F232 HydrophobicContact CG-CB 4.44Å; F200-F232 HydrophobicContact CG-CD2 4.05Å; F200-F232 HydrophobicContact CG-CG 4.26Å; T228-F232 PolarHBondContact O-N 3.48Å; T228-F232 VanDerWaalsContact O-N 3.12Å; L229-F232 HydrophobicContact CD1-CD1 4.16Å; L229-F232 PolarHBondContact O-N 2.89Å; Q230-F232 VanDerWaalsContact C-N 3.35Å; F232-R234 VanDerWaalsContact C-N 3.33Å; F232-R234 PolarHBondContact O-N 2.95Å; F232-L235 WeakPolarHBondContact O-CB 3.45Å; F232-L235 PolarHBondContact O-N 3.15Å; F232-L235 VanDerWaalsContact O-N 3.16Å; F232-L236 HydrophobicContact CD1-CD1 4.08Å; F232-L236 HydrophobicContact CD1-CG 4.48Å; F232-L236 HydrophobicContact CE1-CD1 3.7Å; F232-L236 HydrophobicContact CE1-CD2 4.44Å; F232-L236 HydrophobicContact CE1-CG 4.23Å; F232-L236 HydrophobicContact CE2-CD2 4.3Å; F232-L236 HydrophobicContact CZ-CD1 4.14Å; F232-L236 HydrophobicContact CZ-CD2 4.04Å; F232-L236 HydrophobicContact CZ-CG 4.28Å; F232-L236 WeakPolarHBondContact O-CG 3.21Å; F232-L236 PolarHBondContact O-N 3Å
233Q94.4Very high88.8Confident72 Ų7263.8 Ų63.834%0.33631%0.314SS..Hα-helixtrans-61.2-40.4176.2-75.3175.9-2800112.3L162 L229 L235 L236 Q237L162-Q233 HydrophobicContact CD2-CG 4.17Å; L229-Q233 HydrophobicContact CD1-CG 4.41Å; L229-Q233 HydrophobicContact CG-CG 4.47Å; L229-Q233 WeakPolarHBondContact O-CB 3.34Å; L229-Q233 WeakPolarHBondContact O-CG 3.36Å; L229-Q233 PolarHBondContact O-N 2.98Å; Q233-L235 VanDerWaalsContact C-N 3.33Å; Q233-L235 PolarHBondContact O-N 2.86Å; Q233-L236 PolarHBondContact O-N 3.11Å; Q233-Q237 WeakPolarHBondContact O-CB 3.27Å; Q233-Q237 VanDerWaalsContact O-CG 3.26Å; Q233-Q237 WeakPolarHBondContact O-CG 3.18Å; Q233-Q237 PolarHBondContact O-N 3.28Å
234R94.4Very high91.1Very high110 Ų11059.2 Ų59.242%0.41529%0.293SS..Hα-helixtrans-61.5-40.2174-81.8179.3-84.6168.4-14.5112.2Q230 D231 F232 Q237 S238Q230-R234 WeakPolarHBondContact O-CB 3.47Å; Q230-R234 WeakPolarHBondContact O-CG 3.06Å; Q230-R234 PolarHBondContact O-N 3.36Å; Q230-R234 PolarHBondContact O-NE 3.19Å; D231-R234 PolarHBondContact O-N 2.97Å; D231-R234 IonicContact OD1-CZ 3.81Å; D231-R234 IonicContact OD1-NE 2.65Å; D231-R234 IonicContact OD1-NH1 3.09Å; D231-R234 PolarHBondContact OD1-NH1 3.44Å; D231-R234 IonicContact OD1-NH2 2.85Å; D231-R234 PolarHBondContact OD1-NH2 3.32Å; F232-R234 VanDerWaalsContact C-N 3.33Å; F232-R234 PolarHBondContact O-N 2.95Å; R234-Q237 PolarHBondContact O-N 3.46Å; R234-S238 VanDerWaalsContact O-CB 3.3Å; R234-S238 WeakPolarHBondContact O-CB 3.49Å; R234-S238 PolarHBondContact O-N 2.88Å; R234-S238 PolarHBondContact O-OG 2.92Å
235L94.9Very high92.5Very high0 Ų062.9 Ų62.90%031%0.311CS..Hα-helixtrans-58.5-51.4172.8-176.6167.1000110.4A72 T73 I74 I103 V198 D231 F232 Q233 Q237 S238 L239A72-L235 HydrophobicContact CB-CD2 4.29Å; A72-L235 HydrophobicContact CB-CG 4.18Å; T73-L235 WeakPolarHBondContact O-CA 3.22Å; T73-L235 WeakPolarHBondContact O-CB 3.37Å; I74-L235 HydrophobicContact CD1-CD1 3.37Å; I74-L235 HydrophobicContact CD1-CG 3.81Å; I103-L235 HydrophobicContact CD1-CD1 4Å; I103-L235 HydrophobicContact CG2-CD1 3.67Å; V198-L235 HydrophobicContact CG1-CD2 3.71Å; V198-L235 HydrophobicContact CG2-CD2 4.3Å; D231-L235 PolarHBondContact O-N 3.09Å; F232-L235 WeakPolarHBondContact O-CB 3.45Å; F232-L235 PolarHBondContact O-N 3.15Å; F232-L235 VanDerWaalsContact O-N 3.16Å; Q233-L235 VanDerWaalsContact C-N 3.33Å; Q233-L235 PolarHBondContact O-N 2.86Å; L235-Q237 PolarHBondContact O-N 3.17Å; L235-S238 PolarHBondContact O-N 3.13Å; L235-S238 PolarHBondContact O-OG 3.17Å; L235-L239 PolarHBondContact O-N 3.02Å
236L95.8Very high93.1Very high1 Ų158 Ų581%0.00529%0.291CS..Hα-helixtrans-59.1-44.8179.9-62.6-177.2000112.5L147 L162 F187 V198 F232 Q233 S238 L239L147-L236 HydrophobicContact CD1-CB 4.47Å; L147-L236 HydrophobicContact CD1-CD1 4.02Å; L162-L236 HydrophobicContact CD1-CD1 3.98Å; F187-L236 HydrophobicContact CE2-CD2 3.71Å; F187-L236 HydrophobicContact CZ-CB 3.92Å; F187-L236 HydrophobicContact CZ-CD2 3.96Å; F187-L236 HydrophobicContact CZ-CG 4.5Å; F187-L236 VanDerWaalsContact CZ-O 3.32Å; F187-L236 WeakPolarHBondContact CZ-O 3.43Å; V198-L236 HydrophobicContact CB-CD2 3.71Å; V198-L236 HydrophobicContact CG1-CD2 4.11Å; V198-L236 HydrophobicContact CG2-CD2 3.81Å; F232-L236 HydrophobicContact CD1-CD1 4.08Å; F232-L236 HydrophobicContact CD1-CG 4.48Å; F232-L236 HydrophobicContact CE1-CD1 3.7Å; F232-L236 HydrophobicContact CE1-CD2 4.44Å; F232-L236 HydrophobicContact CE1-CG 4.23Å; F232-L236 HydrophobicContact CE2-CD2 4.3Å; F232-L236 HydrophobicContact CZ-CD1 4.14Å; F232-L236 HydrophobicContact CZ-CD2 4.04Å; F232-L236 HydrophobicContact CZ-CG 4.28Å; F232-L236 WeakPolarHBondContact O-CG 3.21Å; F232-L236 PolarHBondContact O-N 3Å; Q233-L236 PolarHBondContact O-N 3.11Å; L236-S238 VanDerWaalsContact C-N 3.31Å; L236-S238 PolarHBondContact O-N 2.92Å; L236-L239 PolarHBondContact O-N 3.21Å
237Q94.8Very high93.1Very high79 Ų7956.8 Ų56.837%0.36928%0.28SS..Hα-helixtrans-68.5-29.9-178.9-71.4172.8-17.500113.1D151 L152 S153 Q233 R234 L235D151-Q237 VanDerWaalsContact O-CB 3.32Å; D151-Q237 WeakPolarHBondContact O-CB 3.45Å; D151-Q237 WeakPolarHBondContact O-CG 3.29Å; L152-Q237 HydrophobicContact CD2-CG 4.49Å; S153-Q237 VanDerWaalsContact CB-O 3.31Å; S153-Q237 WeakPolarHBondContact CB-O 3.39Å; S153-Q237 PolarHBondContact N-O 2.85Å; S153-Q237 PolarHBondContact OG-O 2.87Å; Q233-Q237 WeakPolarHBondContact O-CB 3.27Å; Q233-Q237 VanDerWaalsContact O-CG 3.26Å; Q233-Q237 WeakPolarHBondContact O-CG 3.18Å; Q233-Q237 PolarHBondContact O-N 3.28Å; R234-Q237 PolarHBondContact O-N 3.46Å; L235-Q237 PolarHBondContact O-N 3.17Å
238S95.1Very high92.5Very high26 Ų2662.6 Ų62.618%0.18234%0.343CS..Hα-helixtrans-94.4-5.8-178.4620000114.3T73 R234 L235 L236 R240T73-S238 WeakPolarHBondContact CB-OG 3.44Å; T73-S238 PolarHBondContact N-OG 2.65Å; T73-S238 VanDerWaalsContact OG1-CB 3.26Å; T73-S238 WeakPolarHBondContact OG1-CB 3.4Å; T73-S238 PolarHBondContact OG1-OG 3.43Å; R234-S238 VanDerWaalsContact O-CB 3.3Å; R234-S238 WeakPolarHBondContact O-CB 3.49Å; R234-S238 PolarHBondContact O-N 2.88Å; R234-S238 PolarHBondContact O-OG 2.92Å; L235-S238 PolarHBondContact O-N 3.13Å; L235-S238 PolarHBondContact O-OG 3.17Å; L236-S238 VanDerWaalsContact C-N 3.31Å; L236-S238 PolarHBondContact O-N 2.92Å; S238-R240 PolarHBondContact O-N 2.77Å
239L95.5Very high92.5Very high0 Ų062.7 Ų62.70%034%0.342CS..  trans-57.4125.2174.3-173.967000109.2L65 L70 S71 A72 S153 L154 F187 V196 L235 L236L65-L239 HydrophobicContact CD1-CD1 4.14Å; L70-L239 HydrophobicContact CD2-CD1 3.95Å; L70-L239 HydrophobicContact CD2-CG 4.36Å; S71-L239 CarbonylContact O-C 3.5Å; S71-L239 WeakPolarHBondContact O-CA 3.31Å; A72-L239 HydrophobicContact CB-CB 4.46Å; A72-L239 HydrophobicContact CB-CD1 3.94Å; S153-L239 CarbonylContact C-O 3.59Å; S153-L239 WeakPolarHBondContact CB-O 3.2Å; L154-L239 WeakPolarHBondContact CA-O 3.32Å; L154-L239 WeakPolarHBondContact CB-O 3.06Å; L154-L239 HydrophobicContact CD2-CD2 4.19Å; L154-L239 PolarHBondContact N-O 3.24Å; F187-L239 HydrophobicContact CD2-CD2 3.75Å; F187-L239 HydrophobicContact CE2-CD2 3.59Å; F187-L239 HydrophobicContact CG-CD2 4.32Å; F187-L239 HydrophobicContact CZ-CB 4.47Å; F187-L239 HydrophobicContact CZ-CD2 4.03Å; V196-L239 HydrophobicContact CG1-CD2 4.06Å; L235-L239 PolarHBondContact O-N 3.02Å; L236-L239 PolarHBondContact O-N 3.21Å
240R95Very high92.6Very high122 Ų12262.4 Ų62.446%0.4634%0.341SS..EExtended strand (participates in β ladder)trans-137139.3-176.9-177.4177-68.9-174.82.6109.9L70 S71 S238 H242L70-R240 CarbonylContact C-O 3.6Å; L70-R240 VanDerWaalsContact CA-O 3.22Å; L70-R240 WeakPolarHBondContact CA-O 3.38Å; S71-R240 PolarHBondContact N-O 3.44Å; S71-R240 PolarHBondContact O-N 2.85Å; S238-R240 PolarHBondContact O-N 2.77Å; R240-H242 WeakPolarHBondContact CD-CE1 3.33Å
241L94.6Very high92.6Very high39 Ų3958.9 Ų58.920%0.20433%0.327CS..EExtended strand (participates in β ladder)trans-92.5127.1170.6-179.266.7000109L70 L154 F192 D243 P244 V246 F247L70-L241 HydrophobicContact CD1-CD1 4.06Å; L70-L241 HydrophobicContact CG-CD1 4.02Å; L154-L241 HydrophobicContact CD1-CB 3.62Å; F192-L241 HydrophobicContact CE2-CD2 3.79Å; F192-L241 HydrophobicContact CZ-CD2 4.28Å; L241-D243 WeakPolarHBondContact CD1-O 3.45Å; L241-P244 HydrophobicContact CD2-CB 4.41Å; L241-V246 HydrophobicContact CD1-CG1 4.18Å; L241-F247 HydrophobicContact CD1-CE2 3.54Å; L241-F247 HydrophobicContact CD1-CZ 3.94Å; L241-F247 HydrophobicContact CD2-CE2 3.8Å; L241-F247 HydrophobicContact CG-CE2 4.33Å
242H93.6Very high92.6Very high106 Ų10660.5 Ų60.549%0.49134%0.336SS..SBendtrans-109.8-38.5175.7-60.6-70.4000111.8A69 S71 R240A69-H242 PolarHBondContact O-N 3.25Å; S71-H242 WeakPolarHBondContact CB-NE2 3.3Å; S71-H242 PolarHBondContact OG-NE2 2.92Å; R240-H242 WeakPolarHBondContact CD-CE1 3.33Å
243D92.9Very high92.4Very high71 Ų7164.1 Ų64.138%0.3836%0.357SS..  trans-127.5110.2-179-168.3-12.5000110.3A69 L241 D245 V246A69-D243 HydrophobicContact CB-CB 3.94Å; A69-D243 PolarHBondContact O-N 3.41Å; A69-D243 VanDerWaalsContact O-N 3.09Å; L241-D243 WeakPolarHBondContact CD1-O 3.45Å; D243-D245 PolarHBondContact O-N 3.02Å; D243-D245 VanDerWaalsContact OD1-CB 3.31Å; D243-D245 WeakPolarHBondContact OD1-CB 3.38Å; D243-D245 PolarHBondContact OD1-N 2.77Å; D243-V246 VanDerWaalsContact O-CG1 3.3Å; D243-V246 WeakPolarHBondContact O-CG1 3.5Å
244P91.1Very high92.3Very high57 Ų5763.6 Ų63.637%0.3736%0.358SS..G310 helixtrans-71.4-14.517931.5-35.4000113.6F192 L241 V246 F247F192-P244 HydrophobicContact CE1-CB 3.76Å; F192-P244 HydrophobicContact CZ-CB 3.63Å; L241-P244 HydrophobicContact CD2-CB 4.41Å; P244-V246 PolarHBondContact O-N 2.71Å; P244-V246 VanDerWaalsContact O-N 3.09Å; P244-F247 VanDerWaalsContact O-CD2 3.31Å; P244-F247 WeakPolarHBondContact O-CD2 3.35Å; P244-F247 PolarHBondContact O-N 3.01Å; P244-F247 VanDerWaalsContact O-N 3.1Å
245D91.4Very high92.1Very high126 Ų12660.3 Ų60.367%0.67435%0.354SS*.G310 helixtrans-65.3-15.5-178.1-68.5-5.5000112.1D243 F247 G248D243-D245 PolarHBondContact O-N 3.02Å; D243-D245 VanDerWaalsContact OD1-CB 3.31Å; D243-D245 WeakPolarHBondContact OD1-CB 3.38Å; D243-D245 PolarHBondContact OD1-N 2.77Å; D245-F247 PolarHBondContact O-N 3.17Å; D245-F247 VanDerWaalsContact O-N 3.1Å; D245-G248 PolarHBondContact O-N 3.22Å; D245-G248 VanDerWaalsContact O-N 3.1Å
246V90.7Very high91.9Very high47 Ų4764.9 Ų64.929%0.28538%0.381SS..G310 helixtrans-57.9-20.8171.771.10000113.6F66 A69 L70 L107 L241 D243 P244F66-V246 HydrophobicContact CB-CG2 3.81Å; F66-V246 HydrophobicContact CG-CG2 4.34Å; A69-V246 HydrophobicContact CB-CB 3.53Å; A69-V246 HydrophobicContact CB-CG1 3.97Å; A69-V246 HydrophobicContact CB-CG2 3.81Å; L70-V246 HydrophobicContact CD1-CG1 3.86Å; L70-V246 HydrophobicContact CD1-CG2 4.39Å; L107-V246 HydrophobicContact CD1-CG2 3.92Å; L241-V246 HydrophobicContact CD1-CG1 4.18Å; D243-V246 VanDerWaalsContact O-CG1 3.3Å; D243-V246 WeakPolarHBondContact O-CG1 3.5Å; P244-V246 PolarHBondContact O-N 2.71Å; P244-V246 VanDerWaalsContact O-N 3.09Å
247F87.2Confident91.6Very high37 Ų3770.3 Ų70.316%0.16241%0.412CS..G310 helixtrans-92.5-4.4179.7-55.2-62.3000114.3L107 L189 F192 T194 V196 L241 P244 D245L107-F247 HydrophobicContact CD1-CE1 4.27Å; L107-F247 HydrophobicContact CD2-CE1 4.15Å; L189-F247 HydrophobicContact CD1-CE1 4.31Å; L189-F247 HydrophobicContact CD1-CE2 4.19Å; L189-F247 HydrophobicContact CD1-CZ 3.69Å; F192-F247 HydrophobicContact CB-CB 3.82Å; F192-F247 HydrophobicContact CB-CD1 4.44Å; F192-F247 HydrophobicContact CB-CD2 3.81Å; F192-F247 HydrophobicContact CB-CE2 4.5Å; F192-F247 HydrophobicContact CB-CG 3.77Å; F192-F247 HydrophobicContact CD1-CB 4.3Å; F192-F247 AromaticContact CD1-CD2 3.88Å; F192-F247 HydrophobicContact CD1-CD2 3.88Å; F192-F247 HydrophobicContact CD1-CG 4.43Å; F192-F247 AromaticContact CD2-CD2 3.51Å; F192-F247 HydrophobicContact CD2-CD2 3.51Å; F192-F247 AromaticContact CD2-CE2 3.59Å; F192-F247 HydrophobicContact CD2-CE2 3.59Å; F192-F247 HydrophobicContact CD2-CG 4.33Å; F192-F247 HydrophobicContact CD2-CZ 4.48Å; F192-F247 HydrophobicContact CE1-CD2 4.34Å; F192-F247 HydrophobicContact CE2-CD2 4.02Å; F192-F247 AromaticContact CE2-CE2 3.96Å; F192-F247 HydrophobicContact CE2-CE2 3.96Å; F192-F247 HydrophobicContact CG-CB 4.17Å; F192-F247 AromaticContact CG-CD2 3.45Å; F192-F247 HydrophobicContact CG-CD2 3.45Å; F192-F247 VanDerWaalsContact CG-CD2 3.45Å; F192-F247 HydrophobicContact CG-CE2 4.05Å; F192-F247 AromaticContact CG-CG 3.95Å; F192-F247 HydrophobicContact CG-CG 3.95Å; F192-F247 HydrophobicContact CZ-CD2 4.42Å; T194-F247 HydrophobicContact CG2-CD1 3.71Å; T194-F247 HydrophobicContact CG2-CE1 3.65Å; V196-F247 HydrophobicContact CG2-CE1 4.48Å; L241-F247 HydrophobicContact CD1-CE2 3.54Å; L241-F247 HydrophobicContact CD1-CZ 3.94Å; L241-F247 HydrophobicContact CD2-CE2 3.8Å; L241-F247 HydrophobicContact CG-CE2 4.33Å; P244-F247 VanDerWaalsContact O-CD2 3.31Å; P244-F247 WeakPolarHBondContact O-CD2 3.35Å; P244-F247 PolarHBondContact O-N 3.01Å; P244-F247 VanDerWaalsContact O-N 3.1Å; D245-F247 PolarHBondContact O-N 3.17Å; D245-F247 VanDerWaalsContact O-N 3.1Å
248G77.4Confident91.3Very high133 Ų13369.5 Ų69.5100%1.37142%0.416SS*.  trans113.30174.900000115.9D245D245-G248 PolarHBondContact O-N 3.22Å; D245-G248 VanDerWaalsContact O-N 3.1Å

Retrieved 248 of 248 residues in 591.4 ms (Link to these results)