X2JEF3_DROME Loading...

Unc-119, isoform C

AlphaFold DB (Q9XYQ2), UniProt , Accession X2JEF3, Species DROME (Drosophila melanogaster, Fruit fly), Gene unc-119, Length 265 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M55Low52.3Low181 Ų18190.4 Ų90.489%0.89250%0.502SS*.  0129.50-171.9168.3-178.300106.8V3 E214M1-V3 HydrophobicContact CG-CG2 4.49Å; M1-E214 PolarHBondContact O-N 2.77Å; M1-E214 VanDerWaalsContact O-N 3.13Å
2S62.6Low50.5Low80 Ų8098.3 Ų98.356%0.55953%0.532SS*.EExtended strand (participates in β ladder)trans-99.6127.6175.6-570000108.3E214S2-E214 WeakPolarHBondContact CA-O 3.44Å
3V59.5Low49Very low26 Ų2699.5 Ų99.516%0.15855%0.553CS.*EExtended strand (participates in β ladder)trans-114.9120.8-179.8-179.60000107.8M1 F200 V213 E214 I216M1-V3 HydrophobicContact CG-CG2 4.49Å; V3-F200 HydrophobicContact CG1-CD1 4.48Å; V3-V213 HydrophobicContact CB-CG2 4.28Å; V3-V213 HydrophobicContact CG2-CG2 3.77Å; V3-E214 PolarHBondContact N-O 3.42Å; V3-I216 PolarHBondContact O-N 3.24Å
4V59Low47.3Very low102 Ų102101.5 Ų101.562%0.61858%0.577SS**EExtended strand (participates in β ladder)trans-88.1120.6173-177.10000107.3
5G57Low46.1Very low18 Ų1899.5 Ų99.519%0.18659%0.587CS.*PPolyproline II helixtrans-70.2152.6-178.800000111.6Q7 D199G5-Q7 PolarHBondContact O-N 3.39Å; G5-D199 CarbonylContact C-O 3.44Å; G5-D199 VanDerWaalsContact CA-O 3.28Å; G5-D199 WeakPolarHBondContact CA-O 3.46Å
6K66.6Low44.9Very low124 Ų124100.4 Ų100.454%0.53961%0.61SS.*EExtended strand (participates in β ladder)trans-73.6121.1168.6-70.7170.5-174.6157.60108D199 E201K6-D199 HydrophobicContact CB-CB 4.42Å; K6-D199 PolarHBondContact N-O 2.97Å; K6-E201 IonicContact NZ-OE1 3.98Å; K6-E201 PolarHBondContact NZ-OE1 3.12Å
7Q55.6Low44Very low83 Ų8398.9 Ų98.939%0.38862%0.619SS.*EExtended strand (participates in β ladder)trans-82.9116.4175.4172.9165.5-26.500110.1G5 N9 K196G5-Q7 PolarHBondContact O-N 3.39Å; Q7-N9 PolarHBondContact NE2-OD1 3.07Å; Q7-K196 VanDerWaalsContact CD-CE 3.5Å
8L50.6Low43Very low77 Ų7799 Ų9940%0.40363%0.631SS.*EExtended strand (participates in β ladder)trans-101.7107.9169-64.6171.7000107.6L74 T197L8-L74 HydrophobicContact CD1-CD1 4.41Å; L8-L74 HydrophobicContact CD1-CD2 3.59Å; L8-T197 HydrophobicContact CB-CG2 4.49Å; L8-T197 HydrophobicContact CD1-CG2 4.4Å
9N37.8Very low42.3Very low113 Ų113100.7 Ų100.760%0.60464%0.64SS**PPolyproline II helixtrans-72.2138.8175.5-77.9-24.5000109.7Q7 V11Q7-N9 PolarHBondContact NE2-OD1 3.07Å; N9-V11 PolarHBondContact O-N 3.07Å
10P37.1Very low41.3Very low51 Ų51102.5 Ų102.533%0.33165%0.649SS.*PPolyproline II helixtrans-57.3129.5169.9-17.928.3000109.9Q12 L194P10-Q12 PolarHBondContact O-N 2.96Å; P10-L194 HydrophobicContact CB-CD2 4.04Å; P10-L194 HydrophobicContact CB-CG 4.48Å; P10-L194 HydrophobicContact CG-CD2 3.98Å; P10-L194 HydrophobicContact CG-CG 4.08Å
11V34.6Very low40.7Very low139 Ų139103.8 Ų103.884%0.84266%0.657SS**PPolyproline II helixtrans-65116.1165177.90000106.5N9 S13N9-V11 PolarHBondContact O-N 3.07Å; V11-S13 PolarHBondContact O-N 3.23Å
12Q30.7Very low39.4Very low186 Ų186101 Ų10187%0.86965%0.654SS**  trans-62.9104.3173.5-71.3179-8.600108.4P10 S14P10-Q12 PolarHBondContact O-N 2.96Å; Q12-S14 PolarHBondContact O-N 2.55Å
13S30.3Very low38Very low114 Ų114103 Ų10380%0.79767%0.669SS**  trans-77.3102.1165.550.60000108.2V11 G15V11-S13 PolarHBondContact O-N 3.23Å; S13-G15 PolarHBondContact O-N 3.43Å; S13-G15 VanDerWaalsContact O-N 3.09Å
14S25.4Very low36.4Very low127 Ų127107.6 Ų107.689%0.88870%0.702SS**  trans-66.2102.9165.448.80000108.7Q12Q12-S14 PolarHBondContact O-N 2.55Å
15G29.9Very low35Very low71 Ų71107.3 Ų107.373%0.73271%0.71SS**  trans-147.386.8177.100000110.8S13S13-G15 PolarHBondContact O-N 3.43Å; S13-G15 VanDerWaalsContact O-N 3.09Å
16A26.5Very low33.6Very low115 Ų115111 Ų11195%0.9574%0.739SS**  trans-71.5137170.800000110.3
17G29.4Very low31.5Very low74 Ų74110.2 Ų110.276%0.76376%0.756SS**  trans168.567.1174.400000112.9V19G17-V19 PolarHBondContact O-N 3.1Å
18A26.1Very low30.1Very low101 Ų101109.8 Ų109.884%0.83577%0.774SS**  trans-67.7121167.200000109.9
19V29.4Very low29Very low132 Ų132111.2 Ų111.280%0.879%0.79SS**  trans-141.7105.8151.2-173.20000108.2G17G17-V19 PolarHBondContact O-N 3.1Å
20T23.6Very low28.5Very low135 Ų135110.8 Ų110.883%0.82880%0.796SS**  trans-69.9127.9164.939.90000110.4
21T27.9Very low28.3Very low131 Ų131114.1 Ų114.180%0.80482%0.82SS**  trans-141.7112.4151.442.70000110.1
22S27.4Very low28Very low121 Ų121112.6 Ų112.685%0.84682%0.816SS**  trans-63.4137.7164.247.90000112
23S33.2Very low28.4Very low123 Ų123111 Ų11186%0.8681%0.814SS**  trans-154.6115.2152.455.70000111.1
24S26.8Very low28.4Very low122 Ų122110.8 Ų110.885%0.85381%0.812SS**  trans-77.7139.1167.249.80000112
25A30Very low28.7Very low96 Ų96108 Ų10879%0.79380%0.803SS**  trans-170.3105.3149.300000106.6
26A25.9Very low28.7Very low97 Ų97111.1 Ų111.180%0.80281%0.807SS**  61.293.868.800000114.4
27A24.4Very low29Very low107 Ų107114.1 Ų114.188%0.88480%0.802SS**  68.8135.5126.300000121.8
28G24.6Very low28.9Very low74 Ų74115.3 Ų115.376%0.76381%0.805SS**  trans102139.2154.100000113.2
29S27.3Very low29.1Very low107 Ų107118.7 Ų118.775%0.74881%0.808SS**  cis-179.4149.91.246.80000106.7
30S27.3Very low28.9Very low104 Ų104116 Ų11673%0.72781%0.808SS**  trans48.6126.5144.363.80000120
31S33.4Very low29.2Very low120 Ų120113.5 Ų113.584%0.83981%0.809SS**  173.2144.397.744.10000112.4
32S29.6Very low29.1Very low108 Ų108113.2 Ų113.276%0.75581%0.812SS**  trans-70.8150.617742.60000115.1
33N37.9Very low29Very low153 Ų153111.1 Ų111.182%0.81881%0.809SS**  trans-163.6116.1148.7-115.719.3000105.8
34S30.3Very low28.6Very low108 Ų108108.5 Ų108.576%0.75580%0.802SS**  68.9122.95382.80000115.5
35G32.5Very low28.6Very low68 Ų68107.9 Ų107.970%0.70180%0.798SS**  trans124.993.9168.900000111.3
36V29.4Very low28.4Very low137 Ų137109.1 Ų109.183%0.8380%0.8SS**  76.9142.862.4-171.30000113
37E32.7Very low28.5Very low179 Ų179108.3 Ų108.384%0.83680%0.802SS**  trans98.3102.3170.8-51.6-168.6145.600114
38A27.6Very low28.5Very low99 Ų99107.9 Ų107.982%0.81880%0.798SS**  cis78.4141.646.500000115.5
39N30.9Very low28.4Very low171 Ų171109.2 Ų109.291%0.91480%0.802SS**  trans76.4126.7177.2-95.1-5.8000116.2
40G24.6Very low28.3Very low76 Ų76108.4 Ų108.478%0.78480%0.802SS**  cis123.1123.626.100000106.8
41G28.8Very low28.1Very low83 Ų83108.7 Ų108.786%0.85681%0.811SS**  trans167.597.2179.700000115.3
42S26.4Very low27.7Very low124 Ų124106.4 Ų106.487%0.86781%0.806SS**  trans-60152.8171.750.70000115.9
43G25.1Very low27.5Very low77 Ų77106.5 Ų106.579%0.79481%0.813SS**  122.6131128.300000118.3
44G24.8Very low26.8Very low68 Ų68103 Ų10370%0.70181%0.814SS**  trans81.7100.314400000116.5
45S27.7Very low26.9Very low110 Ų110102.5 Ų102.577%0.76982%0.815SS**  84.5114.381.868.70000114.8
46S26.1Very low26.8Very low121 Ų121105.3 Ų105.385%0.84683%0.825SS**  trans54.9126.3138.761.60000120.3
47G26.9Very low26.9Very low80 Ų80101.8 Ų101.883%0.82582%0.816SS**  trans153.284.6152.100000113.5
48A24.6Very low27.1Very low98 Ų98101.4 Ų101.481%0.8182%0.82SS**  trans-72.2150.1170.100000112.2
49A23.5Very low27.6Very low103 Ų103101.1 Ų101.185%0.85182%0.817SS**  trans64.8145.314800000117.3
50A23.5Very low27.7Very low90 Ų90102.4 Ų102.474%0.74481%0.814SS**  cis-175.1166.8-9.700000105.1
51A24.3Very low28.2Very low110 Ų110109.2 Ų109.291%0.90982%0.816SS**  trans84.4133.7157.400000118.9
52G24.2Very low28.7Very low71 Ų71110.5 Ų110.573%0.73281%0.81SS**  trans12470.6169.400000111.7
53A25.8Very low29.4Very low110 Ų110109.2 Ų109.291%0.90981%0.806SS**  68.7117.788.600000113.9
54G24.2Very low30.3Very low81 Ų81114.3 Ų114.384%0.83581%0.81SS**  trans103.499155.700000115
55A30.6Very low31.7Very low96 Ų96114.7 Ų114.779%0.79380%0.801SS**  174.2121.7113.200000108.4G57A55-G57 PolarHBondContact O-N 3.1Å
56S30.5Very low33.1Very low128 Ų128112.3 Ų112.390%0.89579%0.785SS**  trans-38.893.4160.2460000112.1
57G32.2Very low35.5Very low62 Ų62111.1 Ų111.164%0.63978%0.776SS**  trans-95.1116.1154.500000106.5A55 A59A55-G57 PolarHBondContact O-N 3.1Å; G57-A59 PolarHBondContact O-N 3.04Å
58D36Very low38.7Very low172 Ų172108.3 Ų108.392%0.9274%0.743SS**  trans-55.184160.2-90.4-61.4000107.8K60D58-K60 PolarHBondContact O-N 3.04Å
59A38.2Very low42.1Very low92 Ų92106 Ų10676%0.7672%0.719SS**  trans-70.194.1172.800000105.3G57 R61G57-A59 PolarHBondContact O-N 3.04Å; A59-R61 PolarHBondContact O-N 3.23Å
60K33.5Very low45.6Very low198 Ų198101.5 Ų101.586%0.86168%0.682SS**  trans-46.388.4160.8-175.1-179-179-174.80107.4D58D58-K60 PolarHBondContact O-N 3.04Å
61R36.5Very low49Very low219 Ų219102 Ų10283%0.82667%0.671SS**  trans-52.5127.1175.2-177.2-179.6-109.6-166-4.7105.5A59 A63A59-R61 PolarHBondContact O-N 3.23Å; R61-A63 PolarHBondContact O-N 2.97Å
62P39.3Very low52.4Low111 Ų111101.1 Ų101.172%0.72165%0.649SS**  trans-61.3104-172.622-29.8000107.9E64P62-E64 PolarHBondContact O-N 3.27Å
63A39.8Very low55.9Low96 Ų9697.8 Ų97.879%0.79361%0.614SS**  trans-76.962.6172.500000107.7R61R61-A63 PolarHBondContact O-N 2.97Å
64E44.9Very low59.3Low184 Ų18494.4 Ų94.486%0.8658%0.581SS**  trans-112.149.8165.5-65.9-165.2-177.600107.9P62P62-E64 PolarHBondContact O-N 3.27Å
65S54.2Low62.7Low76 Ų7696.7 Ų96.753%0.53157%0.569SS.*  trans-90.5102.6160.8600000106.1S67S65-S67 PolarHBondContact O-N 3.45Å
66S57.3Low65.8Low60 Ų6094.3 Ų94.342%0.4254%0.543SS..  trans-45.9116.917052.50000108.5V68 L84S66-V68 PolarHBondContact O-N 3.46Å; S66-L84 PolarHBondContact OG-O 2.92Å
67S76.1Confident68.9Low96 Ų9693.7 Ų93.767%0.67153%0.534SS*.  trans-8234.6-170.561.10000111.7S65 T69S65-S67 PolarHBondContact O-N 3.45Å; S67-T69 WeakPolarHBondContact O-CG2 3.49Å; S67-T69 PolarHBondContact O-N 2.92Å; S67-T69 VanDerWaalsContact O-N 3.14Å
68V94Very high71.9Confident21 Ų2194.8 Ų94.813%0.12752%0.521CS..  trans-63.8120.5-176.3177.60000108.2S66 E72 V73 L84 F244 L249S66-V68 PolarHBondContact O-N 3.46Å; V68-E72 VanDerWaalsContact CA-OE2 3.32Å; V68-E72 WeakPolarHBondContact CA-OE2 3.16Å; V68-V73 HydrophobicContact CG1-CG1 3.5Å; V68-L84 HydrophobicContact CG1-CD1 3.99Å; V68-L84 HydrophobicContact CG2-CB 4.24Å; V68-L84 HydrophobicContact CG2-CD1 4.39Å; V68-F244 WeakPolarHBondContact O-CE1 3.24Å; V68-L249 HydrophobicContact CB-CB 4.3Å; V68-L249 HydrophobicContact CB-CD2 3.91Å; V68-L249 HydrophobicContact CG1-CD2 4.02Å; V68-L249 HydrophobicContact CG2-CD2 4.42Å
69T95.9Very high74.9Confident49 Ų4987.5 Ų87.530%0.30148%0.482SS..  trans-98.9159.7-177.767.20000111.4S67 D71 E72 V73S67-T69 WeakPolarHBondContact O-CG2 3.49Å; S67-T69 PolarHBondContact O-N 2.92Å; S67-T69 VanDerWaalsContact O-N 3.14Å; T69-D71 PolarHBondContact O-N 2.91Å; T69-E72 PolarHBondContact N-OE2 3.24Å; T69-E72 PolarHBondContact O-N 3.35Å; T69-E72 VanDerWaalsContact OG1-CG 3.31Å; T69-E72 WeakPolarHBondContact OG1-CG 3.39Å; T69-E72 PolarHBondContact OG1-N 3.28Å; T69-V73 PolarHBondContact O-N 3.42Å
70P96.6Very high77.6Confident10 Ų1083.9 Ų83.97%0.06545%0.45CS..Hα-helixtrans-54.9-37170.9-28.636.3000113.2V73 L74 I185 F244 N247P70-V73 WeakPolarHBondContact O-CG2 3.45Å; P70-L74 VanDerWaalsContact O-CG 3.23Å; P70-L74 WeakPolarHBondContact O-CG 3.23Å; P70-L74 PolarHBondContact O-N 3.19Å; P70-L74 VanDerWaalsContact O-N 3.16Å; P70-I185 HydrophobicContact CB-CD1 3.83Å; P70-F244 HydrophobicContact CG-CB 4.5Å; P70-F244 HydrophobicContact CG-CD1 3.75Å; P70-F244 HydrophobicContact CG-CD2 4.26Å; P70-F244 HydrophobicContact CG-CE1 3.97Å; P70-F244 HydrophobicContact CG-CE2 4.44Å; P70-F244 HydrophobicContact CG-CG 3.92Å; P70-F244 HydrophobicContact CG-CZ 4.31Å; P70-N247 HydrophobicContact CG-CB 4.13Å
71D95.8Very high80.5Confident99 Ų9980.4 Ų80.453%0.52944%0.441SS..Hα-helixtrans-68-43.2-179.7-167.478.5000111.3T69 V73 L74 H75T69-D71 PolarHBondContact O-N 2.91Å; D71-V73 PolarHBondContact O-N 3.22Å; D71-L74 PolarHBondContact O-N 3.1Å; D71-H75 PolarHBondContact O-N 3.15Å; D71-H75 PolarHBondContact O-ND1 3.36Å; D71-H75 IonicContact OD1-CE1 2.92Å; D71-H75 PolarHBondContact OD1-CE1 3.27Å; D71-H75 IonicContact OD1-ND1 3.97Å; D71-H75 IonicContact OD2-CE1 3.13Å; D71-H75 PolarHBondContact OD2-CE1 2.83Å; D71-H75 IonicContact OD2-ND1 3.27Å; D71-H75 PolarHBondContact OD2-ND1 3Å
72E96Very high83.2Confident93 Ų9376.2 Ų76.244%0.43544%0.435SS..Hα-helixtrans-58.9-46.4176.4-75.5165.5-157.100112.3V68 T69 L74 H75 L76V68-E72 VanDerWaalsContact CA-OE2 3.32Å; V68-E72 WeakPolarHBondContact CA-OE2 3.16Å; T69-E72 PolarHBondContact N-OE2 3.24Å; T69-E72 PolarHBondContact O-N 3.35Å; T69-E72 VanDerWaalsContact OG1-CG 3.31Å; T69-E72 WeakPolarHBondContact OG1-CG 3.39Å; T69-E72 PolarHBondContact OG1-N 3.28Å; E72-L74 VanDerWaalsContact C-N 3.29Å; E72-L74 PolarHBondContact O-N 2.99Å; E72-H75 PolarHBondContact O-N 3.15Å; E72-H75 VanDerWaalsContact O-N 3.17Å; E72-L76 PolarHBondContact O-N 3.45Å
73V97.4Very high85.9Confident1 Ų173.5 Ų73.51%0.00641%0.411CS..Hα-helixtrans-66.9-33.2179.6-59.80000111.8V68 T69 P70 D71 H75 L76 L84 I185 R187 F242 F244V68-V73 HydrophobicContact CG1-CG1 3.5Å; T69-V73 PolarHBondContact O-N 3.42Å; P70-V73 WeakPolarHBondContact O-CG2 3.45Å; D71-V73 PolarHBondContact O-N 3.22Å; V73-H75 PolarHBondContact O-N 3.01Å; V73-L76 HydrophobicContact CB-CD1 4.07Å; V73-L76 HydrophobicContact CG1-CD1 4.26Å; V73-L76 WeakPolarHBondContact O-CB 3.43Å; V73-L76 WeakPolarHBondContact O-CG 3.41Å; V73-L76 PolarHBondContact O-N 2.74Å; V73-L84 HydrophobicContact CG1-CD1 4.28Å; V73-I185 HydrophobicContact CG2-CB 4.29Å; V73-I185 HydrophobicContact CG2-CD1 3.78Å; V73-I185 HydrophobicContact CG2-CG2 4.14Å; V73-R187 WeakPolarHBondContact O-CD 3.18Å; V73-R187 PolarHBondContact O-NE 3.34Å; V73-F242 HydrophobicContact CB-CD2 3.82Å; V73-F242 HydrophobicContact CB-CE2 3.93Å; V73-F242 HydrophobicContact CB-CG 4.16Å; V73-F242 HydrophobicContact CB-CZ 4.35Å; V73-F242 HydrophobicContact CG1-CD1 3.88Å; V73-F242 HydrophobicContact CG1-CD2 4.01Å; V73-F242 HydrophobicContact CG1-CE1 4.02Å; V73-F242 HydrophobicContact CG1-CE2 4.14Å; V73-F242 HydrophobicContact CG1-CG 3.87Å; V73-F242 HydrophobicContact CG1-CZ 4.14Å; V73-F242 HydrophobicContact CG2-CD2 4.11Å; V73-F242 HydrophobicContact CG2-CG 4.36Å; V73-F244 HydrophobicContact CG1-CZ 3.99Å; V73-F244 HydrophobicContact CG2-CE2 3.79Å; V73-F244 HydrophobicContact CG2-CZ 3.68Å
74L97Very high88.5Confident39 Ų3971.5 Ų71.520%0.20439%0.387CS..Hα-helixtrans-64.8-26176.2-74.8171.6000113.2L8 P70 D71 E72 I185 R187 T197L8-L74 HydrophobicContact CD1-CD1 4.41Å; L8-L74 HydrophobicContact CD1-CD2 3.59Å; P70-L74 VanDerWaalsContact O-CG 3.23Å; P70-L74 WeakPolarHBondContact O-CG 3.23Å; P70-L74 PolarHBondContact O-N 3.19Å; P70-L74 VanDerWaalsContact O-N 3.16Å; D71-L74 PolarHBondContact O-N 3.1Å; E72-L74 VanDerWaalsContact C-N 3.29Å; E72-L74 PolarHBondContact O-N 2.99Å; L74-I185 HydrophobicContact CD1-CD1 4.38Å; L74-I185 HydrophobicContact CD2-CD1 4.29Å; L74-I185 HydrophobicContact CD2-CG2 3.8Å; L74-I185 HydrophobicContact CG-CD1 4.06Å; L74-I185 HydrophobicContact CG-CG2 4.44Å; L74-R187 PolarHBondContact O-NH1 3.18Å; L74-R187 PolarHBondContact O-NH2 3.08Å; L74-T197 HydrophobicContact CD2-CG2 3.84Å
75H95.6Very high90.9Very high129 Ų12963.2 Ų63.260%0.59735%0.349SS*.THydrogen-bonded Turntrans-90-2.3178.1-69.597.6000114.1D71 E72 V73 T77D71-H75 PolarHBondContact O-N 3.15Å; D71-H75 PolarHBondContact O-ND1 3.36Å; D71-H75 IonicContact OD1-CE1 2.92Å; D71-H75 PolarHBondContact OD1-CE1 3.27Å; D71-H75 IonicContact OD1-ND1 3.97Å; D71-H75 IonicContact OD2-CE1 3.13Å; D71-H75 PolarHBondContact OD2-CE1 2.83Å; D71-H75 IonicContact OD2-ND1 3.27Å; D71-H75 PolarHBondContact OD2-ND1 3Å; E72-H75 PolarHBondContact O-N 3.15Å; E72-H75 VanDerWaalsContact O-N 3.17Å; V73-H75 PolarHBondContact O-N 3.01Å; H75-T77 PolarHBondContact O-N 2.88Å
76L95.6Very high92.7Very high46 Ų4663.1 Ų63.124%0.24135%0.348CS..  trans-60.9126.3176.6-70.3170.3000111.3E72 V73 T80 R187 F242E72-L76 PolarHBondContact O-N 3.45Å; V73-L76 HydrophobicContact CB-CD1 4.07Å; V73-L76 HydrophobicContact CG1-CD1 4.26Å; V73-L76 WeakPolarHBondContact O-CB 3.43Å; V73-L76 WeakPolarHBondContact O-CG 3.41Å; V73-L76 PolarHBondContact O-N 2.74Å; L76-T80 HydrophobicContact CD1-CG2 3.73Å; L76-T80 HydrophobicContact CD2-CG2 4.35Å; L76-R187 PolarHBondContact O-NE 2.88Å; L76-R187 PolarHBondContact O-NH2 2.72Å; L76-F242 HydrophobicContact CD1-CE2 4.03Å; L76-F242 HydrophobicContact CD1-CZ 3.65Å
77T95.2Very high94.2Very high115 Ų11561.6 Ų61.671%0.70634%0.339SS*.  trans-95.4-8.8-178.152.90000113.8H75 F189H75-T77 PolarHBondContact O-N 2.88Å; T77-F189 VanDerWaalsContact C-CE1 3.49Å; T77-F189 WeakPolarHBondContact O-CE1 3.41Å
78K96.1Very high94.8Very high85 Ų8564 Ų6437%0.3734%0.344SS..SBendtrans-144.4168.6176.961.7164.5-169.3150.50110.6D81K78-D81 VanDerWaalsContact NZ-CG 3.35Å; K78-D81 IonicContact NZ-OD1 3.06Å; K78-D81 PolarHBondContact NZ-OD1 3.09Å; K78-D81 IonicContact NZ-OD2 2.81Å; K78-D81 PolarHBondContact NZ-OD2 3.22Å
79I97.1Very high94.8Very high19 Ų1963.5 Ų63.510%0.09734%0.343CS..  trans-58.7143.5167.6-162.374.6000109.9F189 R238 S239 D240I79-F189 HydrophobicContact CB-CD2 4.37Å; I79-F189 HydrophobicContact CD1-CD2 4.26Å; I79-R238 HydrophobicContact CD1-CB 3.83Å; I79-R238 HydrophobicContact CG1-CB 4.04Å; I79-S239 VanDerWaalsContact CD1-C 3.47Å; I79-D240 HydrophobicContact CD1-CB 4.18Å; I79-D240 VanDerWaalsContact CD1-OD2 3.23Å; I79-D240 WeakPolarHBondContact CD1-OD2 3.43Å
80T96.7Very high94.7Very high16 Ų1663.2 Ų63.210%0.09834%0.34CS..  trans-74.6136.8176.453.80000110.6L76 D82 L84 D240 F242 H252 K254L76-T80 HydrophobicContact CD1-CG2 3.73Å; L76-T80 HydrophobicContact CD2-CG2 4.35Å; T80-D82 PolarHBondContact OG1-O 3.31Å; T80-L84 HydrophobicContact CG2-CD1 3.98Å; T80-L84 HydrophobicContact CG2-CD2 4.1Å; T80-L84 HydrophobicContact CG2-CG 4.04Å; T80-D240 WeakPolarHBondContact CB-OD2 3.25Å; T80-D240 PolarHBondContact N-OD2 2.91Å; T80-D240 PolarHBondContact OG1-OD1 3.25Å; T80-D240 PolarHBondContact OG1-OD2 3.15Å; T80-F242 HydrophobicContact CG2-CZ 4.16Å; T80-H252 PolarHBondContact OG1-CE1 3.05Å; T80-H252 PolarHBondContact OG1-NE2 2.83Å; T80-K254 PolarHBondContact O-NZ 3.19Å; T80-K254 PolarHBondContact OG1-NZ 3.44Å
81D93.6Very high94.5Very high124 Ų12465.9 Ų65.966%0.66336%0.355SS*.SBendtrans-68.1-40.5-177.9-56.8-44000110.5K78K78-D81 VanDerWaalsContact NZ-CG 3.35Å; K78-D81 IonicContact NZ-OD1 3.06Å; K78-D81 PolarHBondContact NZ-OD1 3.09Å; K78-D81 IonicContact NZ-OD2 2.81Å; K78-D81 PolarHBondContact NZ-OD2 3.22Å
82D93.5Very high94.5Very high131 Ų13162.5 Ų62.570%0.70134%0.336SS*.SBendtrans-127.9174.4178.2-73-50000112.6T80 L84T80-D82 PolarHBondContact OG1-O 3.31Å; D82-L84 PolarHBondContact O-N 2.84Å
83Y95.4Very high94.4Very high54 Ų5463.7 Ų63.721%0.21234%0.342CS..  trans-71.4120.4173-64.7-77.7000112.2C85 N147 R150 H252 K254Y83-C85 PolarHBondContact O-N 2.86Å; Y83-C85 VanDerWaalsContact O-N 3.14Å; Y83-N147 HydrophobicContact CD2-CB 4.34Å; Y83-N147 HydrophobicContact CE2-CB 3.65Å; Y83-R150 HydrophobicContact CE1-CB 3.92Å; Y83-R150 PolarHBondContact OH-O 3.48Å; Y83-H252 WeakPolarHBondContact CA-ND1 3.37Å; Y83-H252 HydrophobicContact CD1-CB 4.47Å; Y83-H252 AromaticContact CD1-ND1 3.98Å; Y83-H252 WeakPolarHBondContact CD1-O 3.21Å; Y83-H252 WeakPolarHBondContact CE1-O 3.39Å; Y83-K254 HydrophobicContact CD1-CD 4.08Å; Y83-K254 HydrophobicContact CD1-CG 4.21Å; Y83-K254 HydrophobicContact CE1-CB 4.21Å; Y83-K254 HydrophobicContact CE1-CD 3.67Å; Y83-K254 HydrophobicContact CE1-CG 3.67Å; Y83-K254 HydrophobicContact CE2-CD 4.45Å
84L95.5Very high94.2Very high55 Ų5563.8 Ų63.829%0.28834%0.342SS..SBendtrans-65.6-6.3174.5-57.8-167.6000116.7S66 V68 V73 T80 D82 F242 L249 H252S66-L84 PolarHBondContact OG-O 2.92Å; V68-L84 HydrophobicContact CG1-CD1 3.99Å; V68-L84 HydrophobicContact CG2-CB 4.24Å; V68-L84 HydrophobicContact CG2-CD1 4.39Å; V73-L84 HydrophobicContact CG1-CD1 4.28Å; T80-L84 HydrophobicContact CG2-CD1 3.98Å; T80-L84 HydrophobicContact CG2-CD2 4.1Å; T80-L84 HydrophobicContact CG2-CG 4.04Å; D82-L84 PolarHBondContact O-N 2.84Å; L84-F242 HydrophobicContact CD1-CD1 4.41Å; L84-F242 HydrophobicContact CD1-CE1 3.65Å; L84-F242 HydrophobicContact CD1-CZ 4.28Å; L84-F242 HydrophobicContact CG-CE1 4.15Å; L84-L249 HydrophobicContact CB-CD2 3.74Å; L84-H252 PolarHBondContact N-ND1 2.76Å
85C94.1Very high94.1Very high9 Ų963.5 Ų63.56%0.06134%0.341CS..SBendtrans-147.5153.2170.9720000111.3Y83 A89 R150 L249Y83-C85 PolarHBondContact O-N 2.86Å; Y83-C85 VanDerWaalsContact O-N 3.14Å; C85-A89 HydrophobicContact CB-CB 3.96Å; C85-R150 PolarHBondContact O-NH1 2.63Å; C85-R150 PolarHBondContact O-NH2 2.79Å; C85-L249 HydrophobicContact CB-CD2 3.83Å; C85-L249 HydrophobicContact CB-CG 4.08Å
86S92Very high93.9Very high75 Ų7559 Ų5952%0.52432%0.32SS..  trans-71.5159.2174.466.60000111.6N88 A89S86-N88 PolarHBondContact O-N 3.02Å; S86-A89 WeakPolarHBondContact O-CB 3.26Å; S86-A89 PolarHBondContact O-N 3.36Å
87A88.7Confident93.6Very high28 Ų2858.3 Ų58.323%0.23132%0.317CS..G310 helixtrans-59.3-34.3173.900000111.7A89 N90A87-A89 PolarHBondContact O-N 3.2Å; A87-A89 VanDerWaalsContact O-N 3.09Å; A87-N90 PolarHBondContact O-N 2.99Å
88N89.5Confident93.4Very high145 Ų14556.9 Ų56.978%0.77530%0.299SS*.G310 helixtrans-68.4-4.4176-62.4-26.7000114.1S86 N90S86-N88 PolarHBondContact O-N 3.02Å; N88-N90 PolarHBondContact O-N 2.83Å
89A93.1Very high93.3Very high12 Ų1255 Ų5510%0.09929%0.291CS..G310 helixtrans-69.5-19.9174.300000112.7C85 S86 A87 V91 V250C85-A89 HydrophobicContact CB-CB 3.96Å; S86-A89 WeakPolarHBondContact O-CB 3.26Å; S86-A89 PolarHBondContact O-N 3.36Å; A87-A89 PolarHBondContact O-N 3.2Å; A87-A89 VanDerWaalsContact O-N 3.09Å; A89-V91 PolarHBondContact O-N 2.87Å; A89-V250 CarbonylContact C-O 3.57Å; A89-V250 VanDerWaalsContact C-O 3.27Å; A89-V250 WeakPolarHBondContact CB-O 3.48Å
90N93.3Very high93.1Very high43 Ų4356.4 Ų56.423%0.2330%0.296CS..  trans-74.860.4176.8-172.716.6000112.4A87 N88 F92 E93 I94 V250 M251A87-N90 PolarHBondContact O-N 2.99Å; N88-N90 PolarHBondContact O-N 2.83Å; N90-F92 PolarHBondContact O-N 3.38Å; N90-F92 VanDerWaalsContact O-N 3.14Å; N90-E93 PolarHBondContact O-N 2.83Å; N90-E93 PolarHBondContact OD1-N 3.09Å; N90-I94 PolarHBondContact ND2-N 2.88Å; N90-I94 PolarHBondContact ND2-O 2.8Å; N90-I94 PolarHBondContact OD1-N 3.43Å; N90-V250 PolarHBondContact N-O 3.07Å; N90-M251 HydrophobicContact CB-CG 3.95Å; N90-M251 HydrophobicContact CB-SD 4.46Å
91V93Very high92.9Very high65 Ų6556.2 Ų56.239%0.39430%0.295SS..THydrogen-bonded Turntrans-71.1-4-179.9-60.50000114A89A89-V91 PolarHBondContact O-N 2.87Å
92F95.3Very high93Very high28 Ų2853 Ų5312%0.12327%0.273CS..THydrogen-bonded Turntrans-981178.2-62.3-85.2000112.7N90 I94 G175 Q177 L179 V245 V250N90-F92 PolarHBondContact O-N 3.38Å; N90-F92 VanDerWaalsContact O-N 3.14Å; F92-I94 HydrophobicContact CB-CD1 4.22Å; F92-I94 HydrophobicContact CB-CG1 3.95Å; F92-I94 PolarHBondContact O-N 2.82Å; F92-G175 WeakPolarHBondContact O-CA 3.47Å; F92-G175 PolarHBondContact O-N 2.9Å; F92-Q177 HydrophobicContact CD1-CB 3.84Å; F92-Q177 HydrophobicContact CE1-CB 4.23Å; F92-L179 HydrophobicContact CB-CD2 3.42Å; F92-L179 VanDerWaalsContact CB-CD2 3.42Å; F92-L179 HydrophobicContact CD1-CD2 3.67Å; F92-L179 HydrophobicContact CD2-CD2 4.43Å; F92-L179 HydrophobicContact CG-CD2 3.6Å; F92-V245 HydrophobicContact CD2-CB 4.29Å; F92-V245 HydrophobicContact CD2-CG1 4.38Å; F92-V245 HydrophobicContact CD2-CG2 4.14Å; F92-V245 HydrophobicContact CE1-CG1 3.97Å; F92-V245 HydrophobicContact CE2-CB 3.82Å; F92-V245 HydrophobicContact CE2-CG1 3.8Å; F92-V245 HydrophobicContact CE2-CG2 4.18Å; F92-V245 HydrophobicContact CZ-CB 4.12Å; F92-V245 HydrophobicContact CZ-CG1 3.57Å; F92-V250 HydrophobicContact CD2-CG1 3.86Å; F92-V250 HydrophobicContact CE2-CG1 3.7Å
93E94.2Very high93Very high118 Ų11847.4 Ų47.455%0.55124%0.243SC*.  trans52.843-179.5-48.9166.415400110.9N90 D95 G175 S176N90-E93 PolarHBondContact O-N 2.83Å; N90-E93 PolarHBondContact OD1-N 3.09Å; E93-D95 PolarHBondContact O-N 3.45Å; E93-G175 VanDerWaalsContact OE2-CA 3.23Å; E93-G175 WeakPolarHBondContact OE2-CA 3.49Å; E93-S176 PolarHBondContact OE2-N 3.35Å
94I94.6Very high92.8Very high4 Ų447.8 Ų47.82%0.02125%0.249CC..  trans-70.9119.3175.2-58166.4000106.9N90 F92 F96 F172 T173 L179 F182 V245 V250 M251N90-I94 PolarHBondContact ND2-N 2.88Å; N90-I94 PolarHBondContact ND2-O 2.8Å; N90-I94 PolarHBondContact OD1-N 3.43Å; F92-I94 HydrophobicContact CB-CD1 4.22Å; F92-I94 HydrophobicContact CB-CG1 3.95Å; F92-I94 PolarHBondContact O-N 2.82Å; I94-F96 HydrophobicContact CG2-CE2 4.24Å; I94-F96 HydrophobicContact CG2-CZ 4.19Å; I94-F172 HydrophobicContact CG2-CD2 4.06Å; I94-T173 WeakPolarHBondContact CA-O 3.32Å; I94-L179 HydrophobicContact CD1-CD1 3.75Å; I94-L179 HydrophobicContact CD1-CD2 3.85Å; I94-L179 HydrophobicContact CD1-CG 4.48Å; I94-L179 HydrophobicContact CG1-CD1 3.89Å; I94-L179 HydrophobicContact CG1-CD2 3.91Å; I94-F182 HydrophobicContact CD1-CD2 4.39Å; I94-F182 HydrophobicContact CD1-CE2 3.76Å; I94-F182 HydrophobicContact CD1-CZ 3.99Å; I94-F182 HydrophobicContact CG2-CZ 4.33Å; I94-V245 HydrophobicContact CD1-CG2 4.22Å; I94-V250 HydrophobicContact CD1-CG2 4.2Å; I94-M251 HydrophobicContact CB-CE 3.8Å; I94-M251 HydrophobicContact CB-SD 4.09Å; I94-M251 HydrophobicContact CD1-CE 3.74Å; I94-M251 HydrophobicContact CG1-CE 4.38Å; I94-M251 HydrophobicContact CG2-CE 3.66Å; I94-M251 HydrophobicContact CG2-SD 4.34Å
95D93Very high92.6Very high33 Ų3351 Ų5118%0.17626%0.262CS..EExtended strand (participates in β ladder)trans-123.5116.8-179.3-166.420.2000112.3E93 T97 K115 F172 T173E93-D95 PolarHBondContact O-N 3.45Å; D95-T97 PolarHBondContact O-N 3.26Å; D95-K115 WeakPolarHBondContact OD1-CE 3.46Å; D95-K115 IonicContact OD1-NZ 3Å; D95-K115 PolarHBondContact OD1-NZ 2.64Å; D95-K115 IonicContact OD2-NZ 3.71Å; D95-K115 PolarHBondContact OD2-NZ 3.13Å; D95-F172 CarbonylContact O-C 3.59Å; D95-F172 WeakPolarHBondContact O-CA 3.42Å; D95-F172 VanDerWaalsContact O-CB 3.27Å; D95-F172 WeakPolarHBondContact O-CB 3.31Å; D95-T173 WeakPolarHBondContact CB-OG1 3.1Å; D95-T173 PolarHBondContact N-O 3.3Å; D95-T173 PolarHBondContact O-N 3.23Å
96F92.1Very high92.5Very high35 Ų3554.5 Ų54.515%0.15429%0.287CS..EExtended strand (participates in β ladder)trans-82.6112178.3-68.2-72.1000110.4I94 K115 V170 E171 F172 F182 Y243 M251I94-F96 HydrophobicContact CG2-CE2 4.24Å; I94-F96 HydrophobicContact CG2-CZ 4.19Å; F96-K115 WeakPolarHBondContact O-CE 3.34Å; F96-V170 HydrophobicContact CD1-CG1 3.35Å; F96-V170 HydrophobicContact CE1-CG1 3.62Å; F96-E171 CarbonylContact C-O 3.57Å; F96-F172 HydrophobicContact CD1-CB 3.65Å; F96-F172 HydrophobicContact CD1-CG 4.35Å; F96-F172 HydrophobicContact CE1-CB 3.95Å; F96-F172 HydrophobicContact CE1-CD1 4.25Å; F96-F172 HydrophobicContact CE1-CG 4.17Å; F96-F172 HydrophobicContact CG-CB 4.37Å; F96-F182 HydrophobicContact CZ-CZ 4.41Å; F96-Y243 HydrophobicContact CE1-CE1 4.26Å; F96-Y243 HydrophobicContact CE2-CE1 4.08Å; F96-Y243 HydrophobicContact CE2-CE2 4.35Å; F96-Y243 AromaticContact CE2-CZ 3.93Å; F96-Y243 HydrophobicContact CZ-CD1 4.04Å; F96-Y243 AromaticContact CZ-CE1 3.4Å; F96-Y243 HydrophobicContact CZ-CE1 3.4Å; F96-Y243 VanDerWaalsContact CZ-CE1 3.4Å; F96-Y243 HydrophobicContact CZ-CE2 4.45Å; F96-Y243 AromaticContact CZ-CZ 3.63Å; F96-M251 HydrophobicContact CE2-CE 3.51Å; F96-M251 HydrophobicContact CE2-SD 3.95Å; F96-M251 HydrophobicContact CZ-CE 3.93Å
97T89.7Confident92.5Very high30 Ų3053 Ų5318%0.18428%0.282CS..EExtended strand (participates in β ladder)trans-101.3-22.1-171.253.40000113.3D95 A114 K115 E171D95-T97 PolarHBondContact O-N 3.26Å; T97-A114 CarbonylContact O-C 3.56Å; T97-A114 WeakPolarHBondContact O-CA 3.39Å; T97-K115 PolarHBondContact O-N 2.88Å; T97-E171 PolarHBondContact N-O 3.14Å; T97-E171 PolarHBondContact OG1-O 3.19Å
98R91.9Very high92.7Very high86 Ų8653.9 Ų53.933%0.32529%0.29SS..EExtended strand (participates in β ladder)trans-152.7141.6177.3-167.5-174.8-176-177.65.4111E112 I113 A114 V170 E171R98-E112 IonicContact CZ-OE1 2.62Å; R98-E112 IonicContact NE-OE1 3.51Å; R98-E112 PolarHBondContact NE-OE1 2.83Å; R98-E112 IonicContact NH2-OE1 3.39Å; R98-E112 PolarHBondContact NH2-OE1 3.33Å; R98-I113 CarbonylContact C-O 3.58Å; R98-I113 WeakPolarHBondContact CA-O 3.31Å; R98-I113 WeakPolarHBondContact CG-O 3.38Å; R98-A114 HydrophobicContact CB-CB 4.37Å; R98-A114 HydrophobicContact CG-CB 3.99Å; R98-V170 WeakPolarHBondContact O-CA 3.31Å; R98-E171 HydrophobicContact CB-CB 3.83Å; R98-E171 HydrophobicContact CB-CG 3.95Å; R98-E171 WeakPolarHBondContact CD-OE1 3.45Å; R98-E171 IonicContact CZ-OE1 3.29Å; R98-E171 PolarHBondContact N-O 3.49Å; R98-E171 IonicContact NE-OE1 3.02Å; R98-E171 IonicContact NH1-OE1 2.72Å; R98-E171 PolarHBondContact NH1-OE1 3.17Å; R98-E171 PolarHBondContact O-N 3.11Å
99F92.2Very high92.8Very high46 Ų4650.8 Ų50.820%0.20228%0.276CS..EExtended strand (participates in β ladder)trans-135.1128.4172.6-174.5-102.9000109.8I101 F111 E112 I113 Y154 A168 T169 V170F99-I101 HydrophobicContact CD1-CG1 4.31Å; F99-I101 HydrophobicContact CE1-CD1 3.52Å; F99-I101 HydrophobicContact CE1-CG1 3.43Å; F99-I101 VanDerWaalsContact CE1-CG1 3.43Å; F99-I101 HydrophobicContact CZ-CD1 3.91Å; F99-I101 HydrophobicContact CZ-CG1 3.73Å; F99-F111 AromaticContact CD1-CD1 3.83Å; F99-F111 HydrophobicContact CD1-CD1 3.83Å; F99-F111 AromaticContact CD1-CE1 3.87Å; F99-F111 HydrophobicContact CD1-CE1 3.87Å; F99-F111 HydrophobicContact CE1-CD1 4.2Å; F99-F111 HydrophobicContact CE1-CE1 4.47Å; F99-E112 WeakPolarHBondContact O-CA 3.3Å; F99-I113 HydrophobicContact CB-CG2 3.99Å; F99-I113 PolarHBondContact N-O 3.25Å; F99-I113 PolarHBondContact O-N 3.09Å; F99-Y154 HydrophobicContact CE1-CE1 4.35Å; F99-Y154 VanDerWaalsContact CE1-OH 3.24Å; F99-Y154 WeakPolarHBondContact CE1-OH 3.35Å; F99-A168 HydrophobicContact CE2-CB 4.06Å; F99-A168 HydrophobicContact CZ-CB 4.11Å; F99-T169 WeakPolarHBondContact CA-O 3.49Å; F99-V170 HydrophobicContact CD2-CG2 3.82Å; F99-V170 HydrophobicContact CE2-CG2 3.96Å
100K93.3Very high92.7Very high47 Ų4753.3 Ų53.320%0.20429%0.287CS..EExtended strand (participates in β ladder)trans-138125.6-178.8-177.8-173.371.4177.90110.4V109 F111 E112 A168 T169K100-V109 HydrophobicContact CD-CG1 4.45Å; K100-V109 HydrophobicContact CD-CG2 4.33Å; K100-V109 HydrophobicContact CG-CG1 4.05Å; K100-F111 CarbonylContact C-O 3.56Å; K100-F111 WeakPolarHBondContact CA-O 3.45Å; K100-E112 HydrophobicContact CB-CB 4.45Å; K100-E112 HydrophobicContact CB-CG 4.13Å; K100-E112 HydrophobicContact CG-CB 4.16Å; K100-E112 HydrophobicContact CG-CG 4.13Å; K100-A168 CarbonylContact O-C 3.56Å; K100-A168 WeakPolarHBondContact O-CA 3.44Å; K100-T169 PolarHBondContact N-O 3.36Å; K100-T169 PolarHBondContact O-N 2.63Å
101I93.3Very high92.5Very high13 Ų1353.3 Ų53.37%0.06729%0.286CS..EExtended strand (participates in β ladder)trans-105.3131.4171.9-57.1175.2000108.8F99 L110 F111 Y154 F156 F160 V166 G167 A168F99-I101 HydrophobicContact CD1-CG1 4.31Å; F99-I101 HydrophobicContact CE1-CD1 3.52Å; F99-I101 HydrophobicContact CE1-CG1 3.43Å; F99-I101 VanDerWaalsContact CE1-CG1 3.43Å; F99-I101 HydrophobicContact CZ-CD1 3.91Å; F99-I101 HydrophobicContact CZ-CG1 3.73Å; I101-L110 HydrophobicContact CG2-CB 4.33Å; I101-L110 HydrophobicContact CG2-CD1 4.19Å; I101-L110 PolarHBondContact O-N 2.76Å; I101-F111 HydrophobicContact CB-CB 4.16Å; I101-F111 HydrophobicContact CD1-CB 4.35Å; I101-F111 HydrophobicContact CG1-CB 4.41Å; I101-F111 PolarHBondContact N-O 3.29Å; I101-F111 PolarHBondContact O-N 3.3Å; I101-Y154 HydrophobicContact CD1-CE1 4.42Å; I101-F156 HydrophobicContact CD1-CZ 4.05Å; I101-F160 HydrophobicContact CG2-CE2 4.46Å; I101-V166 HydrophobicContact CG2-CB 4.16Å; I101-V166 HydrophobicContact CG2-CG2 4.44Å; I101-G167 WeakPolarHBondContact CA-O 3.43Å; I101-A168 HydrophobicContact CG1-CB 4.47Å
102R94.4Very high92.4Very high55 Ų5554.6 Ų54.621%0.20829%0.287CS..EExtended strand (participates in β ladder)trans-129148.6171.267.9-177.7-177.192.70.9111.4L104 A108 V166 G167 E214R102-L104 VanDerWaalsContact NH1-CD1 3.34Å; R102-L104 PolarHBondContact O-N 3.39Å; R102-A108 CarbonylContact C-O 3.5Å; R102-A108 WeakPolarHBondContact CA-O 3.27Å; R102-A108 WeakPolarHBondContact CB-O 3.29Å; R102-V166 CarbonylContact O-C 3.59Å; R102-V166 WeakPolarHBondContact O-CA 3.36Å; R102-V166 WeakPolarHBondContact O-CB 3.38Å; R102-G167 PolarHBondContact N-O 2.99Å; R102-G167 PolarHBondContact O-N 3.19Å; R102-E214 IonicContact CZ-OE1 2.83Å; R102-E214 IonicContact NE-OE1 3.2Å; R102-E214 PolarHBondContact NE-OE1 2.97Å; R102-E214 IonicContact NH2-OE1 3.27Å; R102-E214 PolarHBondContact NH2-OE1 2.91Å; R102-E214 IonicContact NH2-OE2 3.75Å; R102-E214 PolarHBondContact NH2-OE2 3.39Å
103D93.3Very high92Very high15 Ų1555 Ų558%0.0829%0.29CS..EExtended strand (participates in β ladder)trans-66.7126.5161.6173.319.1000108.8E105 S106 G107 A108 L110 L163D103-E105 PolarHBondContact OD1-N 2.8Å; D103-S106 WeakPolarHBondContact CB-OG 3.19Å; D103-S106 WeakPolarHBondContact OD2-CB 3.4Å; D103-S106 PolarHBondContact OD2-N 2.9Å; D103-S106 PolarHBondContact OD2-OG 2.92Å; D103-G107 WeakPolarHBondContact O-CA 3.09Å; D103-G107 PolarHBondContact O-N 2.62Å; D103-A108 PolarHBondContact N-O 2.89Å; D103-L110 HydrophobicContact CB-CD1 4.25Å; D103-L163 HydrophobicContact CB-CD1 4.45Å; D103-L163 HydrophobicContact CB-CD2 4.27Å
104L92Very high91.7Very high62 Ų6251.8 Ų51.833%0.32528%0.284SS..THydrogen-bonded Turntrans-75.3-28.4-178.2-171.362.1000111.9R102 T165 I216R102-L104 VanDerWaalsContact NH1-CD1 3.34Å; R102-L104 PolarHBondContact O-N 3.39Å; L104-T165 WeakPolarHBondContact CB-O 3.18Å; L104-T165 PolarHBondContact N-O 2.76Å; L104-I216 HydrophobicContact CD1-CD1 4.43Å; L104-I216 HydrophobicContact CD2-CD1 4.32Å; L104-I216 HydrophobicContact CD2-CG2 3.9Å
105E91.7Very high91Very high123 Ų12352.8 Ų52.858%0.57529%0.288SS*.THydrogen-bonded Turntrans-77.4-52.1-179.6-69.1-171.3173.700111.3D103 K164D103-E105 PolarHBondContact OD1-N 2.8Å; E105-K164 WeakPolarHBondContact OE1-CD 3.16Å; E105-K164 IonicContact OE1-NZ 3.73Å; E105-K164 PolarHBondContact OE1-NZ 3.14Å; E105-K164 IonicContact OE2-NZ 2.77Å
106S92.5Very high89.8Confident82 Ų8253.8 Ų53.857%0.57330%0.297SS*.THydrogen-bonded Turntrans-87.1-20.6-179.5690000114.8D103 A108D103-S106 WeakPolarHBondContact CB-OG 3.19Å; D103-S106 WeakPolarHBondContact OD2-CB 3.4Å; D103-S106 PolarHBondContact OD2-N 2.9Å; D103-S106 PolarHBondContact OD2-OG 2.92Å; S106-A108 PolarHBondContact O-N 3.23Å; S106-A108 WeakPolarHBondContact OG-CB 3.35Å; S106-A108 PolarHBondContact OG-N 3.08Å
107G91.8Very high88.2Confident42 Ų4256.2 Ų56.243%0.43332%0.316SS..  trans77.70.4-171.700000114.8D103D103-G107 WeakPolarHBondContact O-CA 3.09Å; D103-G107 PolarHBondContact O-N 2.62Å
108A91.9Very high86.5Confident47 Ų4759.7 Ų59.739%0.38834%0.341SS..  trans-63.8134.8179.400000111.7R102 D103 S106R102-A108 CarbonylContact C-O 3.5Å; R102-A108 WeakPolarHBondContact CA-O 3.27Å; R102-A108 WeakPolarHBondContact CB-O 3.29Å; D103-A108 PolarHBondContact N-O 2.89Å; S106-A108 PolarHBondContact O-N 3.23Å; S106-A108 WeakPolarHBondContact OG-CB 3.35Å; S106-A108 PolarHBondContact OG-N 3.08Å
109V92.4Very high84.3Confident80 Ų8064.7 Ų64.749%0.48537%0.369SS..EExtended strand (participates in β ladder)trans-80.3121.4173.4179.60000108.6K100 E112K100-V109 HydrophobicContact CD-CG1 4.45Å; K100-V109 HydrophobicContact CD-CG2 4.33Å; K100-V109 HydrophobicContact CG-CG1 4.05Å; V109-E112 HydrophobicContact CG1-CB 4.06Å
110L90Very high81.7Confident65 Ų6570.1 Ų70.134%0.3440%0.395SS..EExtended strand (participates in β ladder)trans-96.2-30.6-176.9-56.7174.1000111.6I101 D103 F160 L163 V166I101-L110 HydrophobicContact CG2-CB 4.33Å; I101-L110 HydrophobicContact CG2-CD1 4.19Å; I101-L110 PolarHBondContact O-N 2.76Å; D103-L110 HydrophobicContact CB-CD1 4.25Å; L110-F160 HydrophobicContact CD1-CD2 3.93Å; L110-F160 HydrophobicContact CD1-CE2 3.92Å; L110-L163 HydrophobicContact CD1-CD1 3.38Å; L110-V166 HydrophobicContact CD1-CG1 4.26Å
111F89.5Confident79.4Confident43 Ų4371.3 Ų71.319%0.18940%0.398CS..EExtended strand (participates in β ladder)trans-155.5141178.8-177.4-95.4000109.6F99 K100 I101 I113 Y154 F156F99-F111 AromaticContact CD1-CD1 3.83Å; F99-F111 HydrophobicContact CD1-CD1 3.83Å; F99-F111 AromaticContact CD1-CE1 3.87Å; F99-F111 HydrophobicContact CD1-CE1 3.87Å; F99-F111 HydrophobicContact CE1-CD1 4.2Å; F99-F111 HydrophobicContact CE1-CE1 4.47Å; K100-F111 CarbonylContact C-O 3.56Å; K100-F111 WeakPolarHBondContact CA-O 3.45Å; I101-F111 HydrophobicContact CB-CB 4.16Å; I101-F111 HydrophobicContact CD1-CB 4.35Å; I101-F111 HydrophobicContact CG1-CB 4.41Å; I101-F111 PolarHBondContact N-O 3.29Å; I101-F111 PolarHBondContact O-N 3.3Å; F111-I113 HydrophobicContact CE1-CB 4.04Å; F111-I113 HydrophobicContact CE1-CG2 3.63Å; F111-I113 HydrophobicContact CZ-CB 4.18Å; F111-I113 HydrophobicContact CZ-CG2 4.09Å; F111-Y154 AromaticContact CD1-CE1 3.93Å; F111-Y154 HydrophobicContact CD1-CE1 3.93Å; F111-Y154 HydrophobicContact CD2-CD1 4.21Å; F111-Y154 HydrophobicContact CD2-CE1 4.23Å; F111-Y154 AromaticContact CE1-CE1 3.81Å; F111-Y154 HydrophobicContact CE1-CE1 3.81Å; F111-Y154 HydrophobicContact CE2-CD1 4.2Å; F111-Y154 HydrophobicContact CE2-CE1 4.11Å; F111-Y154 HydrophobicContact CG-CD1 4.44Å; F111-Y154 HydrophobicContact CG-CE1 4.13Å; F111-Y154 HydrophobicContact CZ-CD1 4.42Å; F111-Y154 AromaticContact CZ-CE1 3.9Å; F111-Y154 HydrophobicContact CZ-CE1 3.9Å; F111-F156 HydrophobicContact CB-CE1 4.17Å
112E91Very high76.9Confident92 Ų9275.4 Ų75.443%0.4343%0.426SS..EExtended strand (participates in β ladder)trans-151.3131.3171.8-174.3165.9-17500110.9R98 F99 K100 V109R98-E112 IonicContact CZ-OE1 2.62Å; R98-E112 IonicContact NE-OE1 3.51Å; R98-E112 PolarHBondContact NE-OE1 2.83Å; R98-E112 IonicContact NH2-OE1 3.39Å; R98-E112 PolarHBondContact NH2-OE1 3.33Å; F99-E112 WeakPolarHBondContact O-CA 3.3Å; K100-E112 HydrophobicContact CB-CB 4.45Å; K100-E112 HydrophobicContact CB-CG 4.13Å; K100-E112 HydrophobicContact CG-CB 4.16Å; K100-E112 HydrophobicContact CG-CG 4.13Å; V109-E112 HydrophobicContact CG1-CB 4.06Å
113I87.5Confident74.6Confident36 Ų3682.4 Ų82.419%0.18546%0.461CS..EExtended strand (participates in β ladder)trans-138.2141.8171.8-167.6168000109.2R98 F99 F111 A134R98-I113 CarbonylContact C-O 3.58Å; R98-I113 WeakPolarHBondContact CA-O 3.31Å; R98-I113 WeakPolarHBondContact CG-O 3.38Å; F99-I113 HydrophobicContact CB-CG2 3.99Å; F99-I113 PolarHBondContact N-O 3.25Å; F99-I113 PolarHBondContact O-N 3.09Å; F111-I113 HydrophobicContact CE1-CB 4.04Å; F111-I113 HydrophobicContact CE1-CG2 3.63Å; F111-I113 HydrophobicContact CZ-CB 4.18Å; F111-I113 HydrophobicContact CZ-CG2 4.09Å; I113-A134 HydrophobicContact CD1-CB 4.38Å
114A88Confident72.7Confident52 Ų5285.4 Ų85.443%0.4350%0.495SS..EExtended strand (participates in β ladder)trans-134.8141.5173.700000108.8T97 R98T97-A114 CarbonylContact O-C 3.56Å; T97-A114 WeakPolarHBondContact O-CA 3.39Å; R98-A114 HydrophobicContact CB-CB 4.37Å; R98-A114 HydrophobicContact CG-CB 3.99Å
115K78.6Confident70.8Confident24 Ų2487.2 Ų87.210%0.10451%0.505CS..PPolyproline II helixtrans-62.3139.1163.4-67.8-162.7-163.6-154.40108.7D95 F96 T97 S127 T130 M131D95-K115 WeakPolarHBondContact OD1-CE 3.46Å; D95-K115 IonicContact OD1-NZ 3Å; D95-K115 PolarHBondContact OD1-NZ 2.64Å; D95-K115 IonicContact OD2-NZ 3.71Å; D95-K115 PolarHBondContact OD2-NZ 3.13Å; F96-K115 WeakPolarHBondContact O-CE 3.34Å; T97-K115 PolarHBondContact O-N 2.88Å; K115-S127 PolarHBondContact NZ-O 2.94Å; K115-T130 HydrophobicContact CB-CG2 4.21Å; K115-T130 HydrophobicContact CD-CG2 3.98Å; K115-T130 HydrophobicContact CG-CG2 4.3Å; K115-M131 HydrophobicContact CD-CG 4.13Å; K115-M131 HydrophobicContact CD-SD 3.98Å; K115-M131 WeakPolarHBondContact CE-SD 3.22Å; K115-M131 HydrophobicContact CG-CG 4.25Å; K115-M131 HydrophobicContact CG-SD 3.48Å; K115-M131 WeakPolarHBondContact CG-SD 3.46Å
116P69.8Low69.2Low55 Ų5584.1 Ų84.136%0.35750%0.497SS..PPolyproline II helixtrans-58.1152.1168.9-11.321.4000110.5S118 Y121P116-S118 PolarHBondContact O-N 3.31Å; P116-Y121 WeakPolarHBondContact CB-OH 3.23Å; P116-Y121 VanDerWaalsContact CD-OH 3.32Å; P116-Y121 WeakPolarHBondContact CD-OH 3.45Å; P116-Y121 WeakPolarHBondContact CG-OH 3.46Å; P116-Y121 PolarHBondContact O-OH 3.13Å
117P56.6Low67.7Low85 Ų8583.2 Ų83.255%0.55249%0.49SS*.PPolyproline II helixtrans-61.7137177.7-20.731.7000112E119 Q120 Y121P117-E119 PolarHBondContact O-N 2.88Å; P117-Q120 PolarHBondContact O-N 2.89Å; P117-Y121 WeakPolarHBondContact O-CE2 3.45Å
118S54.5Low66.3Low103 Ų10385 Ų8572%0.7249%0.49SS*.G310 helixtrans-45.8-27.9175.9-43.20000115.1P116 Q120 Y121P116-S118 PolarHBondContact O-N 3.31Å; S118-Q120 VanDerWaalsContact C-N 3.26Å; S118-Q120 PolarHBondContact O-N 2.9Å; S118-Y121 WeakPolarHBondContact O-CD2 3.27Å
119E45.6Very low64.9Low192 Ų19286.6 Ų86.690%0.89749%0.489SS*.G310 helixtrans-76.5-6.5-172.6-64.3177.6174.800114.2P117P117-E119 PolarHBondContact O-N 2.88Å
120Q38.7Very low63.4Low159 Ų15983.3 Ų83.374%0.74347%0.469SS*.G310 helixtrans-104.27178.1-70.2-176.30.400114.4P117 S118P117-Q120 PolarHBondContact O-N 2.89Å; S118-Q120 VanDerWaalsContact C-N 3.26Å; S118-Q120 PolarHBondContact O-N 2.9Å
121Y45Very low62.1Low72 Ų7282 Ų8228%0.28246%0.462SS..  trans-86.3131-176.9-63.3-66.8000112.3P116 P117 S118 E123 T130P116-Y121 WeakPolarHBondContact CB-OH 3.23Å; P116-Y121 VanDerWaalsContact CD-OH 3.32Å; P116-Y121 WeakPolarHBondContact CD-OH 3.45Å; P116-Y121 WeakPolarHBondContact CG-OH 3.46Å; P116-Y121 PolarHBondContact O-OH 3.13Å; P117-Y121 WeakPolarHBondContact O-CE2 3.45Å; S118-Y121 WeakPolarHBondContact O-CD2 3.27Å; Y121-E123 PolarHBondContact O-N 2.94Å; Y121-T130 HydrophobicContact CE1-CG2 4.03Å; Y121-T130 HydrophobicContact CE2-CG2 4.36Å; Y121-T130 WeakPolarHBondContact OH-CG2 3.49Å
122P40.8Very low60.8Low99 Ų9981.6 Ų81.664%0.64346%0.462SS*.  trans-63128159.428.3-30.9000107.8G124P122-G124 PolarHBondContact O-N 2.87Å; P122-G124 VanDerWaalsContact O-N 3.14Å
123E45.3Very low59.3Low203 Ų20380 Ų8095%0.94946%0.464SS*.THydrogen-bonded Turntrans-33.3114.3175.8-68.7-96.2166.800112.3Y121Y121-E123 PolarHBondContact O-N 2.94Å
124G54.1Low57.9Low78 Ų7879.2 Ų79.280%0.80446%0.463SS*.THydrogen-bonded Turntrans132.9-4164.900000118.8P122P122-G124 PolarHBondContact O-N 2.87Å; P122-G124 VanDerWaalsContact O-N 3.14Å
125L52Low56.4Low100 Ų10078 Ų7852%0.52445%0.453SS..  trans-92.9136.6177.6-63.1175.8000112.5E129L125-E129 VanDerWaalsContact CA-OE2 3.31Å; L125-E129 WeakPolarHBondContact CA-OE2 3.45Å; L125-E129 HydrophobicContact CB-CB 4.49Å; L125-E129 WeakPolarHBondContact CD2-OE2 3.38Å
126S58.2Low55.2Low58 Ų5880.1 Ų80.141%0.40646%0.463SS..  trans-79.7160.4178.965.10000112.6D128 E129 T130S126-D128 PolarHBondContact O-N 2.88Å; S126-D128 VanDerWaalsContact O-N 3.15Å; S126-E129 PolarHBondContact N-OE2 2.82Å; S126-E129 PolarHBondContact O-N 2.87Å; S126-E129 WeakPolarHBondContact OG-CG 3.25Å; S126-E129 PolarHBondContact OG-OE2 2.76Å; S126-E129 VanDerWaalsContact OG-OE2 3.12Å; S126-T130 PolarHBondContact O-N 2.99Å; S126-T130 VanDerWaalsContact O-N 3.15Å; S126-T130 PolarHBondContact O-OG1 2.85Å
127S60.2Low54.4Low62 Ų6286.5 Ų86.543%0.43449%0.486SS..Hα-helixtrans-57-29.5-179.9-66.90000113.6K115 T130 M131K115-S127 PolarHBondContact NZ-O 2.94Å; S127-T130 WeakPolarHBondContact O-CB 3.32Å; S127-M131 PolarHBondContact O-N 2.85Å
128D62.3Low54.1Low81 Ų8188.7 Ų88.743%0.43349%0.492SS..Hα-helixtrans-75.4-43.4179.3-62.8-33000111.2S126 T130 M131 L132S126-D128 PolarHBondContact O-N 2.88Å; S126-D128 VanDerWaalsContact O-N 3.15Å; D128-T130 PolarHBondContact O-N 2.89Å; D128-M131 PolarHBondContact O-N 3.44Å; D128-M131 VanDerWaalsContact O-N 3.12Å; D128-L132 PolarHBondContact O-N 2.71Å
129E63.1Low53.5Low79 Ų7987.3 Ų87.337%0.36948%0.482SS..Hα-helixtrans-61.1-29.3173.7-71.7169147.700111.9L125 S126 L132 A133L125-E129 VanDerWaalsContact CA-OE2 3.31Å; L125-E129 WeakPolarHBondContact CA-OE2 3.45Å; L125-E129 HydrophobicContact CB-CB 4.49Å; L125-E129 WeakPolarHBondContact CD2-OE2 3.38Å; S126-E129 PolarHBondContact N-OE2 2.82Å; S126-E129 PolarHBondContact O-N 2.87Å; S126-E129 WeakPolarHBondContact OG-CG 3.25Å; S126-E129 PolarHBondContact OG-OE2 2.76Å; S126-E129 VanDerWaalsContact OG-OE2 3.12Å; E129-L132 WeakPolarHBondContact O-CB 3.4Å; E129-L132 PolarHBondContact O-N 2.93Å; E129-A133 PolarHBondContact O-N 2.62Å
130T61Low53.3Low11 Ų1186.3 Ų86.37%0.06748%0.482CS..Hα-helixtrans-69.9-39.9175.7-62.10000112.7K115 Y121 S126 S127 D128 L132 A133 A134K115-T130 HydrophobicContact CB-CG2 4.21Å; K115-T130 HydrophobicContact CD-CG2 3.98Å; K115-T130 HydrophobicContact CG-CG2 4.3Å; Y121-T130 HydrophobicContact CE1-CG2 4.03Å; Y121-T130 HydrophobicContact CE2-CG2 4.36Å; Y121-T130 WeakPolarHBondContact OH-CG2 3.49Å; S126-T130 PolarHBondContact O-N 2.99Å; S126-T130 VanDerWaalsContact O-N 3.15Å; S126-T130 PolarHBondContact O-OG1 2.85Å; S127-T130 WeakPolarHBondContact O-CB 3.32Å; D128-T130 PolarHBondContact O-N 2.89Å; T130-L132 VanDerWaalsContact C-N 3.31Å; T130-A133 PolarHBondContact O-N 3.04Å; T130-A134 PolarHBondContact O-N 3.03Å
131M61.9Low53.7Low37 Ų3785.6 Ų85.618%0.18248%0.483CS..Hα-helixtrans-66.4-39.8172.1-80.1-63.3-66.700110.5K115 S127 D128 A134 A135K115-M131 HydrophobicContact CD-CG 4.13Å; K115-M131 HydrophobicContact CD-SD 3.98Å; K115-M131 WeakPolarHBondContact CE-SD 3.22Å; K115-M131 HydrophobicContact CG-CG 4.25Å; K115-M131 HydrophobicContact CG-SD 3.48Å; K115-M131 WeakPolarHBondContact CG-SD 3.46Å; S127-M131 PolarHBondContact O-N 2.85Å; D128-M131 PolarHBondContact O-N 3.44Å; D128-M131 VanDerWaalsContact O-N 3.12Å; M131-A134 PolarHBondContact O-N 3.04Å; M131-A135 WeakPolarHBondContact O-CB 3.27Å; M131-A135 PolarHBondContact O-N 2.81Å
132L62.4Low53.4Low35 Ų3589.3 Ų89.318%0.18351%0.508CS..Hα-helixtrans-56.3-52.1174-179.771.1000110D128 E129 T130 A134 A135 E136 A148D128-L132 PolarHBondContact O-N 2.71Å; E129-L132 WeakPolarHBondContact O-CB 3.4Å; E129-L132 PolarHBondContact O-N 2.93Å; T130-L132 VanDerWaalsContact C-N 3.31Å; L132-A134 VanDerWaalsContact C-N 3.29Å; L132-A134 PolarHBondContact O-N 2.8Å; L132-A135 CarbonylContact O-C 3.58Å; L132-A135 PolarHBondContact O-N 2.86Å; L132-E136 HydrophobicContact CD1-CG 3.8Å; L132-E136 WeakPolarHBondContact CD2-OE1 3.37Å; L132-E136 HydrophobicContact CG-CG 3.83Å; L132-E136 WeakPolarHBondContact CG-OE1 3.33Å; L132-E136 WeakPolarHBondContact O-CA 3.28Å; L132-E136 WeakPolarHBondContact O-CB 3.39Å; L132-E136 VanDerWaalsContact O-CG 3.3Å; L132-E136 WeakPolarHBondContact O-CG 3.29Å; L132-E136 PolarHBondContact O-N 2.88Å; L132-A148 HydrophobicContact CB-CB 4.11Å; L132-A148 HydrophobicContact CD1-CB 3.6Å; L132-A148 HydrophobicContact CD2-CB 4.47Å; L132-A148 HydrophobicContact CG-CB 4.25Å
133A59.1Low53.7Low59 Ų5989.4 Ų89.449%0.48851%0.507SS..Hα-helixtrans-60.3-35.2178.500000113.8E129 T130E129-A133 PolarHBondContact O-N 2.62Å; T130-A133 PolarHBondContact O-N 3.04Å
134A58.4Low54.3Low19 Ų1984.2 Ų84.216%0.15750%0.499CS..Hα-helixtrans-72.2-35.4175.400000112.6I113 T130 M131 L132I113-A134 HydrophobicContact CD1-CB 4.38Å; T130-A134 PolarHBondContact O-N 3.03Å; M131-A134 PolarHBondContact O-N 3.04Å; L132-A134 VanDerWaalsContact C-N 3.29Å; L132-A134 PolarHBondContact O-N 2.8Å
135A56.2Low54.5Low26 Ų2684 Ų8422%0.21548%0.479CS..Hα-helixtrans-82.1-27.9177.300000112.9M131 L132 K137 L138 S139M131-A135 WeakPolarHBondContact O-CB 3.27Å; M131-A135 PolarHBondContact O-N 2.81Å; L132-A135 CarbonylContact O-C 3.58Å; L132-A135 PolarHBondContact O-N 2.86Å; A135-K137 PolarHBondContact O-N 2.81Å; A135-L138 CarbonylContact O-C 3.52Å; A135-L138 VanDerWaalsContact O-CA 3.23Å; A135-L138 WeakPolarHBondContact O-CA 3.48Å; A135-L138 VanDerWaalsContact O-CB 3.24Å; A135-L138 WeakPolarHBondContact O-CB 3.28Å; A135-L138 PolarHBondContact O-N 2.81Å; A135-S139 PolarHBondContact O-N 2.83Å; A135-S139 VanDerWaalsContact O-N 3.11Å; A135-S139 PolarHBondContact O-OG 3.15Å
136E53.6Low55Low69 Ų6983.3 Ų83.332%0.32248%0.481SS..Hα-helixtrans-67.6-26.7177.6-89.4-179169.800111.3L132 L138 S139L132-E136 HydrophobicContact CD1-CG 3.8Å; L132-E136 WeakPolarHBondContact CD2-OE1 3.37Å; L132-E136 HydrophobicContact CG-CG 3.83Å; L132-E136 WeakPolarHBondContact CG-OE1 3.33Å; L132-E136 WeakPolarHBondContact O-CA 3.28Å; L132-E136 WeakPolarHBondContact O-CB 3.39Å; L132-E136 VanDerWaalsContact O-CG 3.3Å; L132-E136 WeakPolarHBondContact O-CG 3.29Å; L132-E136 PolarHBondContact O-N 2.88Å; E136-L138 PolarHBondContact O-N 3.08Å; E136-S139 WeakPolarHBondContact CA-O 3.48Å; E136-S139 PolarHBondContact O-N 2.85Å; E136-S139 VanDerWaalsContact O-N 3.14Å
137K54.2Low55.5Low190 Ų19082.2 Ų82.283%0.82647%0.47SS*.THydrogen-bonded Turntrans-55.3-17.3164.1-164.1-179.4174.3-168.20112.2A135A135-K137 PolarHBondContact O-N 2.81Å
138L49.3Very low55.7Low131 Ų13180.4 Ų80.469%0.68646%0.459SS*.THydrogen-bonded Turntrans-115.2-10.6176.6-61168.6000114.4A135 E136A135-L138 CarbonylContact O-C 3.52Å; A135-L138 VanDerWaalsContact O-CA 3.23Å; A135-L138 WeakPolarHBondContact O-CA 3.48Å; A135-L138 VanDerWaalsContact O-CB 3.24Å; A135-L138 WeakPolarHBondContact O-CB 3.28Å; A135-L138 PolarHBondContact O-N 2.81Å; E136-L138 PolarHBondContact O-N 3.08Å
139S42.8Very low56.5Low74 Ų7477.5 Ų77.552%0.51745%0.448SS..  trans-158117.8179.753.20000113.2A135 E136 D141A135-S139 PolarHBondContact O-N 2.83Å; A135-S139 VanDerWaalsContact O-N 3.11Å; A135-S139 PolarHBondContact O-OG 3.15Å; E136-S139 WeakPolarHBondContact CA-O 3.48Å; E136-S139 PolarHBondContact O-N 2.85Å; E136-S139 VanDerWaalsContact O-N 3.14Å; S139-D141 PolarHBondContact O-N 2.8Å
140L41.7Very low57.8Low171 Ų17174.5 Ų74.590%0.89543%0.433SS*.  trans-83104.2171.7-71.4156.8000109.4
141D45.8Very low59.3Low144 Ų14478.4 Ų78.477%0.7745%0.448SS*.  trans-158.7117.8147.4-121.7-17.3000111.3S139 T143S139-D141 PolarHBondContact O-N 2.8Å; D141-T143 PolarHBondContact O-N 3.27Å; D141-T143 VanDerWaalsContact O-N 3.15Å
142D40.3Very low60.7Low149 Ų14978.9 Ų78.980%0.79745%0.453SS*.  trans-91.569.7-160.1-157.2-3.1000110.8
143T47.1Very low62.1Low102 Ų10284 Ų8463%0.62647%0.47SS*.  trans-131.2130.8165.955.30000108.8D141 D145D141-T143 PolarHBondContact O-N 3.27Å; D141-T143 VanDerWaalsContact O-N 3.15Å; T143-D145 PolarHBondContact O-N 2.7Å
144A56.2Low63.7Low93 Ų9382.1 Ų82.177%0.76945%0.45SS*.  trans-67.664.2174.500000110.5P146A144-P146 WeakPolarHBondContact O-CD 3.47Å
145D58.9Low65.3Low74 Ų7487.4 Ų87.440%0.39647%0.472SS..  trans-65.6119171.7-179.51.1000106.9T143 N147 A148T143-D145 PolarHBondContact O-N 2.7Å; D145-N147 PolarHBondContact O-N 2.94Å; D145-N147 WeakPolarHBondContact OD1-CB 3.26Å; D145-N147 PolarHBondContact OD1-N 3.14Å; D145-N147 PolarHBondContact OD1-ND2 2.72Å; D145-A148 VanDerWaalsContact O-CB 3.25Å; D145-A148 WeakPolarHBondContact O-CB 3.48Å; D145-A148 PolarHBondContact O-N 3.02Å
146P62.9Low67.1Low86 Ų8686.8 Ų86.856%0.55846%0.464SS*.THydrogen-bonded Turntrans-58.2-9.5173.424.9-34.8000113A144A144-P146 WeakPolarHBondContact O-CD 3.47Å
147N68Low69Low34 Ų3487 Ų8718%0.18247%0.47CS..THydrogen-bonded Turntrans-102.15.9174.3-50-69.5000114.6Y83 D145 G149 R150Y83-N147 HydrophobicContact CD2-CB 4.34Å; Y83-N147 HydrophobicContact CE2-CB 3.65Å; D145-N147 PolarHBondContact O-N 2.94Å; D145-N147 WeakPolarHBondContact OD1-CB 3.26Å; D145-N147 PolarHBondContact OD1-N 3.14Å; D145-N147 PolarHBondContact OD1-ND2 2.72Å; N147-G149 PolarHBondContact O-N 2.76Å; N147-G149 VanDerWaalsContact O-N 3.09Å; N147-R150 HydrophobicContact CB-CB 4.42Å; N147-R150 WeakPolarHBondContact O-CB 3.44Å; N147-R150 PolarHBondContact O-N 3.02Å; N147-R150 PolarHBondContact OD1-NH1 2.97Å
148A64.2Low70.8Confident24 Ų2479.6 Ų79.620%0.19844%0.441CS..G310 helixtrans-51.7-36.2-177.800000114L132 D145L132-A148 HydrophobicContact CB-CB 4.11Å; L132-A148 HydrophobicContact CD1-CB 3.6Å; L132-A148 HydrophobicContact CD2-CB 4.47Å; L132-A148 HydrophobicContact CG-CB 4.25Å; D145-A148 VanDerWaalsContact O-CB 3.25Å; D145-A148 WeakPolarHBondContact O-CB 3.48Å; D145-A148 PolarHBondContact O-N 3.02Å
149G79.9Confident72.8Confident20 Ų2076 Ų7621%0.20643%0.431CS..G310 helixtrans-84.2-2177.400000115.4N147N147-G149 PolarHBondContact O-N 2.76Å; N147-G149 VanDerWaalsContact O-N 3.09Å
150R90.4Very high75.2Confident16 Ų1673.4 Ų73.46%0.0641%0.41CS..G310 helixtrans-104.7-0.1-171.6-59.3174.261.8-174.48.2113.4Y83 C85 N147 H252 N253 K254Y83-R150 HydrophobicContact CE1-CB 3.92Å; Y83-R150 PolarHBondContact OH-O 3.48Å; C85-R150 PolarHBondContact O-NH1 2.63Å; C85-R150 PolarHBondContact O-NH2 2.79Å; N147-R150 HydrophobicContact CB-CB 4.42Å; N147-R150 WeakPolarHBondContact O-CB 3.44Å; N147-R150 PolarHBondContact O-N 3.02Å; N147-R150 PolarHBondContact OD1-NH1 2.97Å; R150-H252 VanDerWaalsContact CZ-O 3.28Å; R150-H252 PolarHBondContact NE-O 2.98Å; R150-H252 PolarHBondContact NH2-O 3.31Å; R150-N253 CarbonylContact O-C 3.44Å; R150-N253 VanDerWaalsContact O-CA 3.23Å; R150-N253 WeakPolarHBondContact O-CA 3.38Å; R150-K254 PolarHBondContact O-N 3.14Å
151Y92.2Very high77.6Confident93 Ų9366.4 Ų66.437%0.36537%0.373SS..EExtended strand (participates in β ladder)trans-122.8133178.8-168.7-89.8000110.8R153 K254 D256Y151-R153 HydrophobicContact CE1-CB 4.29Å; Y151-K254 CarbonylContact C-O 3.52Å; Y151-K254 VanDerWaalsContact CA-O 3.31Å; Y151-K254 WeakPolarHBondContact CA-O 3.26Å; Y151-K254 HydrophobicContact CD2-CB 3.71Å; Y151-K254 HydrophobicContact CE2-CB 4.15Å; Y151-D256 PolarHBondContact OH-OD1 3.09Å; Y151-D256 PolarHBondContact OH-OD2 3.31Å
152V91.3Very high79.7Confident48 Ų4865.6 Ų65.629%0.29137%0.369SS..EExtended strand (participates in β ladder)trans-128.5127.4175.5-173.10000110.5Y154 K254 A255 D256V152-Y154 HydrophobicContact CB-CE2 3.91Å; V152-Y154 HydrophobicContact CG1-CD1 4.29Å; V152-Y154 HydrophobicContact CG1-CD2 4.05Å; V152-Y154 HydrophobicContact CG1-CE1 3.81Å; V152-Y154 HydrophobicContact CG1-CE2 3.56Å; V152-Y154 HydrophobicContact CG1-CG 4.4Å; V152-Y154 VanDerWaalsContact CG1-CZ 3.41Å; V152-K254 PolarHBondContact N-O 2.96Å; V152-A255 HydrophobicContact CB-CB 4.44Å; V152-A255 WeakPolarHBondContact O-CA 3.21Å; V152-A255 VanDerWaalsContact O-CB 3.23Å; V152-A255 WeakPolarHBondContact O-CB 3.25Å; V152-D256 PolarHBondContact O-N 3.41Å; V152-D256 VanDerWaalsContact O-N 3.14Å
153R91.6Very high82.1Confident142 Ų14260.1 Ų60.154%0.53634%0.34SS..EExtended strand (participates in β ladder)trans-100.2115.9172.6175.8160.4-73165.80.9110.6Y151 F235 D256Y151-R153 HydrophobicContact CE1-CB 4.29Å; R153-F235 HydrophobicContact CG-CD1 4.01Å; R153-F235 HydrophobicContact CG-CE1 3.42Å; R153-F235 VanDerWaalsContact CG-CE1 3.42Å; R153-F235 HydrophobicContact CG-CZ 4.09Å; R153-D256 VanDerWaalsContact CA-OD1 3.25Å; R153-D256 WeakPolarHBondContact CA-OD1 3.5Å; R153-D256 VanDerWaalsContact CB-OD1 3.25Å; R153-D256 WeakPolarHBondContact CB-OD1 3.48Å; R153-D256 WeakPolarHBondContact CG-OD1 3.43Å; R153-D256 IonicContact CZ-OD1 2.7Å; R153-D256 IonicContact CZ-OD2 3.49Å; R153-D256 VanDerWaalsContact CZ-OD2 3.29Å; R153-D256 IonicContact NE-OD1 3.88Å; R153-D256 PolarHBondContact NE-OD1 3.03Å; R153-D256 IonicContact NE-OD2 3.29Å; R153-D256 PolarHBondContact NE-OD2 2.82Å; R153-D256 IonicContact NH2-OD2 3.39Å; R153-D256 PolarHBondContact NH2-OD2 2.95Å
154Y93.1Very high84.2Confident20 Ų2061.4 Ų61.48%0.07834%0.337CS..EExtended strand (participates in β ladder)trans-99.1137177.2-66.2-77000111.3F99 I101 F111 V152 F156 A255 D256 Y257 A258F99-Y154 HydrophobicContact CE1-CE1 4.35Å; F99-Y154 VanDerWaalsContact CE1-OH 3.24Å; F99-Y154 WeakPolarHBondContact CE1-OH 3.35Å; I101-Y154 HydrophobicContact CD1-CE1 4.42Å; F111-Y154 AromaticContact CD1-CE1 3.93Å; F111-Y154 HydrophobicContact CD1-CE1 3.93Å; F111-Y154 HydrophobicContact CD2-CD1 4.21Å; F111-Y154 HydrophobicContact CD2-CE1 4.23Å; F111-Y154 AromaticContact CE1-CE1 3.81Å; F111-Y154 HydrophobicContact CE1-CE1 3.81Å; F111-Y154 HydrophobicContact CE2-CD1 4.2Å; F111-Y154 HydrophobicContact CE2-CE1 4.11Å; F111-Y154 HydrophobicContact CG-CD1 4.44Å; F111-Y154 HydrophobicContact CG-CE1 4.13Å; F111-Y154 HydrophobicContact CZ-CD1 4.42Å; F111-Y154 AromaticContact CZ-CE1 3.9Å; F111-Y154 HydrophobicContact CZ-CE1 3.9Å; V152-Y154 HydrophobicContact CB-CE2 3.91Å; V152-Y154 HydrophobicContact CG1-CD1 4.29Å; V152-Y154 HydrophobicContact CG1-CD2 4.05Å; V152-Y154 HydrophobicContact CG1-CE1 3.81Å; V152-Y154 HydrophobicContact CG1-CE2 3.56Å; V152-Y154 HydrophobicContact CG1-CG 4.4Å; V152-Y154 VanDerWaalsContact CG1-CZ 3.41Å; Y154-F156 HydrophobicContact CD1-CE1 4.41Å; Y154-F156 AromaticContact CD1-CE2 3.91Å; Y154-F156 HydrophobicContact CD1-CE2 3.91Å; Y154-F156 AromaticContact CD1-CZ 3.54Å; Y154-F156 HydrophobicContact CD1-CZ 3.54Å; Y154-F156 HydrophobicContact CE1-CZ 4.29Å; Y154-F156 AromaticContact CG-CE2 3.8Å; Y154-F156 HydrophobicContact CG-CE2 3.8Å; Y154-F156 AromaticContact CG-CZ 3.95Å; Y154-F156 HydrophobicContact CG-CZ 3.95Å; Y154-A255 HydrophobicContact CD2-CB 4.06Å; Y154-A255 HydrophobicContact CE2-CB 3.86Å; Y154-D256 PolarHBondContact N-O 3.33Å; Y154-Y257 AromaticContact CD2-CD1 3.7Å; Y154-Y257 HydrophobicContact CD2-CD1 3.7Å; Y154-Y257 AromaticContact CD2-CE1 3.31Å; Y154-Y257 HydrophobicContact CD2-CE1 3.31Å; Y154-Y257 AromaticContact CD2-CZ 3.99Å; Y154-Y257 AromaticContact CE2-CE1 3.89Å; Y154-Y257 HydrophobicContact CE2-CE1 3.89Å; Y154-Y257 HydrophobicContact CG-CD1 4.03Å; Y154-Y257 AromaticContact CG-CE1 3.99Å; Y154-Y257 HydrophobicContact CG-CE1 3.99Å; Y154-Y257 WeakPolarHBondContact O-CA 3.35Å; Y154-A258 PolarHBondContact O-N 2.69Å
155Q92.7Very high85.9Confident130 Ų13058.4 Ų58.461%0.60731%0.309SS*.EExtended strand (participates in β ladder)trans-125.5105.3168.8-169.6169.42100109.2A258Q155-A258 HydrophobicContact CG-CB 4.3Å
156F93.5Very high87.6Confident13 Ų1355.1 Ų55.16%0.05729%0.291CS..  trans-108.1160.7178.9-64.9-57.8000110.8I101 F111 Y154 F160 Y257 A258 Y259 D260 G261I101-F156 HydrophobicContact CD1-CZ 4.05Å; F111-F156 HydrophobicContact CB-CE1 4.17Å; Y154-F156 HydrophobicContact CD1-CE1 4.41Å; Y154-F156 AromaticContact CD1-CE2 3.91Å; Y154-F156 HydrophobicContact CD1-CE2 3.91Å; Y154-F156 AromaticContact CD1-CZ 3.54Å; Y154-F156 HydrophobicContact CD1-CZ 3.54Å; Y154-F156 HydrophobicContact CE1-CZ 4.29Å; Y154-F156 AromaticContact CG-CE2 3.8Å; Y154-F156 HydrophobicContact CG-CE2 3.8Å; Y154-F156 AromaticContact CG-CZ 3.95Å; Y154-F156 HydrophobicContact CG-CZ 3.95Å; F156-F160 HydrophobicContact CB-CB 3.76Å; F156-F160 HydrophobicContact CB-CD1 4.44Å; F156-F160 HydrophobicContact CB-CD2 4.24Å; F156-F160 HydrophobicContact CB-CG 3.91Å; F156-F160 AromaticContact CD1-CD2 3.89Å; F156-F160 HydrophobicContact CD1-CD2 3.89Å; F156-F160 HydrophobicContact CD1-CE2 4.15Å; F156-F160 HydrophobicContact CD1-CG 4.41Å; F156-F160 HydrophobicContact CD2-CD1 4.02Å; F156-F160 HydrophobicContact CD2-CD2 4.1Å; F156-F160 AromaticContact CD2-CE1 4Å; F156-F160 HydrophobicContact CD2-CE1 4Å; F156-F160 HydrophobicContact CD2-CE2 4.1Å; F156-F160 HydrophobicContact CD2-CG 4.06Å; F156-F160 HydrophobicContact CD2-CZ 4.03Å; F156-F160 HydrophobicContact CE1-CD2 4.26Å; F156-F160 HydrophobicContact CE1-CE2 4.05Å; F156-F160 HydrophobicContact CE2-CD2 4.43Å; F156-F160 HydrophobicContact CE2-CE1 4.14Å; F156-F160 AromaticContact CE2-CE2 3.98Å; F156-F160 HydrophobicContact CE2-CE2 3.98Å; F156-F160 AromaticContact CE2-CZ 3.8Å; F156-F160 HydrophobicContact CE2-CZ 3.8Å; F156-F160 HydrophobicContact CG-CB 4.27Å; F156-F160 HydrophobicContact CG-CD1 4.3Å; F156-F160 AromaticContact CG-CD2 3.82Å; F156-F160 HydrophobicContact CG-CD2 3.82Å; F156-F160 HydrophobicContact CG-CE2 4.18Å; F156-F160 AromaticContact CG-CG 3.88Å; F156-F160 HydrophobicContact CG-CG 3.88Å; F156-F160 AromaticContact CZ-CE2 3.97Å; F156-F160 HydrophobicContact CZ-CE2 3.97Å; F156-F160 HydrophobicContact CZ-CZ 4.15Å; F156-Y257 HydrophobicContact CD2-CD1 4.48Å; F156-Y257 HydrophobicContact CE2-CD1 4.12Å; F156-Y257 HydrophobicContact CE2-CE1 4.49Å; F156-A258 PolarHBondContact N-O 3.12Å; F156-Y259 HydrophobicContact CB-CD1 4.17Å; F156-Y259 HydrophobicContact CD2-CD1 4.48Å; F156-Y259 HydrophobicContact CD2-CE1 4.2Å; F156-Y259 CarbonylContact O-C 3.6Å; F156-Y259 WeakPolarHBondContact O-CA 3.42Å; F156-D260 PolarHBondContact O-N 2.8Å; F156-G261 VanDerWaalsContact O-CA 3.31Å; F156-G261 WeakPolarHBondContact O-CA 3.31Å; F156-G261 PolarHBondContact O-N 2.79Å
157T92.6Very high89.2Confident72 Ų7251 Ų5144%0.44227%0.265SS..  trans-76.9160.9169.669.30000110.5A159 F160 Y259 G261T157-A159 PolarHBondContact O-N 3.33Å; T157-F160 VanDerWaalsContact O-CB 3.27Å; T157-F160 WeakPolarHBondContact O-CB 3.37Å; T157-F160 PolarHBondContact O-N 2.81Å; T157-Y259 CarbonylContact C-O 3.41Å; T157-G261 VanDerWaalsContact CA-O 3.3Å; T157-G261 WeakPolarHBondContact CA-O 3.5Å; T157-G261 WeakPolarHBondContact CB-O 3.44Å; T157-G261 WeakPolarHBondContact CG2-O 3.36Å
158P93Very high90.4Very high35 Ų3549.5 Ų49.523%0.22726%0.257CS..G310 helixtrans-55.6-28.5176-28.434.1000113.7F160 L161 I231 Y259P158-F160 PolarHBondContact O-N 2.87Å; P158-F160 VanDerWaalsContact O-N 3.15Å; P158-L161 PolarHBondContact O-N 3.44Å; P158-L161 VanDerWaalsContact O-N 3.15Å; P158-I231 HydrophobicContact CB-CD1 3.85Å; P158-I231 HydrophobicContact CB-CG1 4.28Å; P158-I231 HydrophobicContact CG-CD1 4.47Å; P158-I231 HydrophobicContact CG-CG2 4.27Å; P158-Y259 VanDerWaalsContact CA-O 3.29Å; P158-Y259 WeakPolarHBondContact CA-O 3.41Å; P158-Y259 WeakPolarHBondContact CD-O 3.33Å; P158-Y259 WeakPolarHBondContact CG-O 3.23Å
159A90.8Very high91.9Very high57 Ų5749.2 Ų49.247%0.47125%0.253SS..G310 helixtrans-60.2-24.2178.800000113T157 L161 N162T157-A159 PolarHBondContact O-N 3.33Å; A159-L161 VanDerWaalsContact C-N 3.29Å; A159-L161 PolarHBondContact O-N 3.23Å; A159-N162 WeakPolarHBondContact O-CB 3.24Å; A159-N162 PolarHBondContact O-N 2.77Å; A159-N162 VanDerWaalsContact O-N 3.1Å
160F92.5Very high92.5Very high18 Ų1848.7 Ų48.78%0.07925%0.245CC..G310 helixtrans-58.9-39.9175.9-173.4-92.7000112.2I101 L110 F156 T157 P158 N162 L163 F219 Y259I101-F160 HydrophobicContact CG2-CE2 4.46Å; L110-F160 HydrophobicContact CD1-CD2 3.93Å; L110-F160 HydrophobicContact CD1-CE2 3.92Å; F156-F160 HydrophobicContact CB-CB 3.76Å; F156-F160 HydrophobicContact CB-CD1 4.44Å; F156-F160 HydrophobicContact CB-CD2 4.24Å; F156-F160 HydrophobicContact CB-CG 3.91Å; F156-F160 AromaticContact CD1-CD2 3.89Å; F156-F160 HydrophobicContact CD1-CD2 3.89Å; F156-F160 HydrophobicContact CD1-CE2 4.15Å; F156-F160 HydrophobicContact CD1-CG 4.41Å; F156-F160 HydrophobicContact CD2-CD1 4.02Å; F156-F160 HydrophobicContact CD2-CD2 4.1Å; F156-F160 AromaticContact CD2-CE1 4Å; F156-F160 HydrophobicContact CD2-CE1 4Å; F156-F160 HydrophobicContact CD2-CE2 4.1Å; F156-F160 HydrophobicContact CD2-CG 4.06Å; F156-F160 HydrophobicContact CD2-CZ 4.03Å; F156-F160 HydrophobicContact CE1-CD2 4.26Å; F156-F160 HydrophobicContact CE1-CE2 4.05Å; F156-F160 HydrophobicContact CE2-CD2 4.43Å; F156-F160 HydrophobicContact CE2-CE1 4.14Å; F156-F160 AromaticContact CE2-CE2 3.98Å; F156-F160 HydrophobicContact CE2-CE2 3.98Å; F156-F160 AromaticContact CE2-CZ 3.8Å; F156-F160 HydrophobicContact CE2-CZ 3.8Å; F156-F160 HydrophobicContact CG-CB 4.27Å; F156-F160 HydrophobicContact CG-CD1 4.3Å; F156-F160 AromaticContact CG-CD2 3.82Å; F156-F160 HydrophobicContact CG-CD2 3.82Å; F156-F160 HydrophobicContact CG-CE2 4.18Å; F156-F160 AromaticContact CG-CG 3.88Å; F156-F160 HydrophobicContact CG-CG 3.88Å; F156-F160 AromaticContact CZ-CE2 3.97Å; F156-F160 HydrophobicContact CZ-CE2 3.97Å; F156-F160 HydrophobicContact CZ-CZ 4.15Å; T157-F160 VanDerWaalsContact O-CB 3.27Å; T157-F160 WeakPolarHBondContact O-CB 3.37Å; T157-F160 PolarHBondContact O-N 2.81Å; P158-F160 PolarHBondContact O-N 2.87Å; P158-F160 VanDerWaalsContact O-N 3.15Å; F160-N162 PolarHBondContact O-N 2.8Å; F160-L163 HydrophobicContact CD2-CD1 4Å; F160-L163 HydrophobicContact CE2-CD1 4.46Å; F160-L163 HydrophobicContact CG-CD1 4.47Å; F160-L163 WeakPolarHBondContact O-CB 3.4Å; F160-L163 WeakPolarHBondContact O-CG 3.39Å; F160-L163 PolarHBondContact O-N 2.78Å; F160-F219 AromaticContact CD1-CE2 3.87Å; F160-F219 HydrophobicContact CD1-CE2 3.87Å; F160-F219 HydrophobicContact CD1-CZ 4.18Å; F160-F219 AromaticContact CE1-CE2 3.56Å; F160-F219 HydrophobicContact CE1-CE2 3.56Å; F160-F219 AromaticContact CE1-CZ 3.4Å; F160-F219 HydrophobicContact CE1-CZ 3.4Å; F160-F219 VanDerWaalsContact CE1-CZ 3.4Å; F160-F219 HydrophobicContact CE2-CZ 4.34Å; F160-F219 HydrophobicContact CZ-CE2 4.01Å; F160-F219 AromaticContact CZ-CZ 3.51Å; F160-F219 HydrophobicContact CZ-CZ 3.51Å; F160-F219 WeakPolarHBondContact O-CE2 3.36Å; F160-Y259 HydrophobicContact CD1-CD1 4.13Å; F160-Y259 AromaticContact CD1-CE1 3.73Å; F160-Y259 HydrophobicContact CD1-CE1 3.73Å; F160-Y259 HydrophobicContact CE1-CE1 4.14Å
161L92.4Very high92.7Very high24 Ų2449.1 Ų49.113%0.12625%0.248CC..G310 helixtrans-69.9-13.4179.2-64.7176.1000113.3P158 A159 V227 M230 I231 Y259P158-L161 PolarHBondContact O-N 3.44Å; P158-L161 VanDerWaalsContact O-N 3.15Å; A159-L161 VanDerWaalsContact C-N 3.29Å; A159-L161 PolarHBondContact O-N 3.23Å; L161-V227 HydrophobicContact CB-CG1 4.23Å; L161-V227 HydrophobicContact CD1-CG1 3.89Å; L161-M230 HydrophobicContact CD1-CB 4.36Å; L161-M230 HydrophobicContact CD2-CE 3.84Å; L161-I231 HydrophobicContact CD1-CD1 4.31Å; L161-I231 HydrophobicContact CD1-CG1 3.86Å; L161-Y259 HydrophobicContact CD1-CD1 4.25Å; L161-Y259 HydrophobicContact CD1-CD2 3.94Å; L161-Y259 HydrophobicContact CD1-CG 3.76Å; L161-Y259 HydrophobicContact CD2-CD1 3.84Å; L161-Y259 HydrophobicContact CD2-CD2 4.17Å; L161-Y259 HydrophobicContact CD2-CE1 3.72Å; L161-Y259 HydrophobicContact CD2-CE2 4.03Å; L161-Y259 HydrophobicContact CD2-CG 4.07Å; L161-Y259 HydrophobicContact CG-CD1 3.84Å; L161-Y259 HydrophobicContact CG-CD2 4.33Å; L161-Y259 HydrophobicContact CG-CE1 4.25Å; L161-Y259 HydrophobicContact CG-CG 3.89Å
162N89.8Confident92.8Very high128 Ų12844.8 Ų44.868%0.68423%0.231SC*.G310 helixtrans-91.9-5.8176.8-64.5-30.8000113.1A159 F160A159-N162 WeakPolarHBondContact O-CB 3.24Å; A159-N162 PolarHBondContact O-N 2.77Å; A159-N162 VanDerWaalsContact O-N 3.1Å; F160-N162 PolarHBondContact O-N 2.8Å
163L91.4Very high93Very high33 Ų3344.7 Ų44.717%0.17323%0.231CC..  trans-70.7142.4176.7-59.7176.9000110.1D103 L110 F160 V166 F219D103-L163 HydrophobicContact CB-CD1 4.45Å; D103-L163 HydrophobicContact CB-CD2 4.27Å; L110-L163 HydrophobicContact CD1-CD1 3.38Å; F160-L163 HydrophobicContact CD2-CD1 4Å; F160-L163 HydrophobicContact CE2-CD1 4.46Å; F160-L163 HydrophobicContact CG-CD1 4.47Å; F160-L163 WeakPolarHBondContact O-CB 3.4Å; F160-L163 WeakPolarHBondContact O-CG 3.39Å; F160-L163 PolarHBondContact O-N 2.78Å; L163-V166 HydrophobicContact CB-CG1 4.24Å; L163-V166 HydrophobicContact CD1-CG1 3.69Å; L163-F219 HydrophobicContact CB-CD2 4.25Å; L163-F219 HydrophobicContact CB-CE2 4.19Å; L163-F219 WeakPolarHBondContact O-CB 3.45Å; L163-F219 VanDerWaalsContact O-CD2 3.23Å; L163-F219 WeakPolarHBondContact O-CD2 3.1Å
164K90.2Very high93.2Very high130 Ų13038.2 Ų38.257%0.56521%0.207SC*.SBendtrans-85.3-42.7174.2-60.2-170.1-154.1121.70112.2E105 F219E105-K164 WeakPolarHBondContact OE1-CD 3.16Å; E105-K164 IonicContact OE1-NZ 3.73Å; E105-K164 PolarHBondContact OE1-NZ 3.14Å; E105-K164 IonicContact OE2-NZ 2.77Å; K164-F219 PolarHBondContact O-N 3.06Å
165T93.3Very high93.4Very high30 Ų3037.6 Ų37.618%0.18421%0.206CC..EExtended strand (participates in β ladder)trans-143.3131.8-171.851.50000111L104 Y217 E218L104-T165 WeakPolarHBondContact CB-O 3.18Å; L104-T165 PolarHBondContact N-O 2.76Å; T165-Y217 VanDerWaalsContact CA-O 3.25Å; T165-Y217 WeakPolarHBondContact CA-O 3.41Å; T165-E218 HydrophobicContact CG2-CG 4.12Å
166V94.2Very high93.6Very high5 Ų534.5 Ų34.53%0.0320%0.2CC..EExtended strand (participates in β ladder)trans-122.4143.5173.4-59.50000110.5I101 R102 L110 L163 Y217 F219I101-V166 HydrophobicContact CG2-CB 4.16Å; I101-V166 HydrophobicContact CG2-CG2 4.44Å; R102-V166 CarbonylContact O-C 3.59Å; R102-V166 WeakPolarHBondContact O-CA 3.36Å; R102-V166 WeakPolarHBondContact O-CB 3.38Å; L110-V166 HydrophobicContact CD1-CG1 4.26Å; L163-V166 HydrophobicContact CB-CG1 4.24Å; L163-V166 HydrophobicContact CD1-CG1 3.69Å; V166-Y217 HydrophobicContact CG2-CD2 4.5Å; V166-Y217 HydrophobicContact CG2-CG 4.28Å; V166-Y217 PolarHBondContact N-O 3.06Å; V166-Y217 PolarHBondContact O-N 2.81Å; V166-F219 HydrophobicContact CB-CZ 4.46Å; V166-F219 HydrophobicContact CG1-CE1 4.27Å; V166-F219 HydrophobicContact CG1-CE2 4.3Å; V166-F219 HydrophobicContact CG1-CZ 3.84Å; V166-F219 HydrophobicContact CG2-CD1 4.41Å; V166-F219 HydrophobicContact CG2-CE1 3.46Å; V166-F219 VanDerWaalsContact CG2-CE1 3.46Å; V166-F219 HydrophobicContact CG2-CZ 3.71Å
167G95.6Very high93.7Very high0 Ų038.5 Ų38.50%022%0.218CC..EExtended strand (participates in β ladder)trans-97.6123.2169.800000109.8I101 R102I101-G167 WeakPolarHBondContact CA-O 3.43Å; R102-G167 PolarHBondContact N-O 2.99Å; R102-G167 PolarHBondContact O-N 3.19Å
168A94.2Very high93.9Very high2 Ų237.4 Ų37.42%0.01721%0.212CC..EExtended strand (participates in β ladder)trans-107.5106.1171.700000109.5F99 K100 I101 E214 H215 Y217F99-A168 HydrophobicContact CE2-CB 4.06Å; F99-A168 HydrophobicContact CZ-CB 4.11Å; K100-A168 CarbonylContact O-C 3.56Å; K100-A168 WeakPolarHBondContact O-CA 3.44Å; I101-A168 HydrophobicContact CG1-CB 4.47Å; A168-E214 WeakPolarHBondContact O-CA 3.45Å; A168-H215 PolarHBondContact N-O 3.29Å; A168-H215 PolarHBondContact O-N 3.2Å; A168-Y217 HydrophobicContact CB-CD2 4.03Å; A168-Y217 HydrophobicContact CB-CE2 3.58Å
169T94.9Very high94.1Very high18 Ų1835.7 Ų35.711%0.1120%0.201CC..EExtended strand (participates in β ladder)trans-84.8128.3173.7-52.40000109.7F99 K100 T212 V213F99-T169 WeakPolarHBondContact CA-O 3.49Å; K100-T169 PolarHBondContact N-O 3.36Å; K100-T169 PolarHBondContact O-N 2.63Å; T169-T212 HydrophobicContact CG2-CG2 3.76Å; T169-V213 CarbonylContact C-O 3.12Å; T169-V213 WeakPolarHBondContact CA-O 3.41Å
170V93Very high94.3Very high8 Ų836.8 Ų36.85%0.04820%0.199CC..EExtended strand (participates in β ladder)trans-121.7126.6176.7-167.80000108.9F96 R98 F99 T212 V213F96-V170 HydrophobicContact CD1-CG1 3.35Å; F96-V170 HydrophobicContact CE1-CG1 3.62Å; R98-V170 WeakPolarHBondContact O-CA 3.31Å; F99-V170 HydrophobicContact CD2-CG2 3.82Å; F99-V170 HydrophobicContact CE2-CG2 3.96Å; V170-T212 WeakPolarHBondContact O-CA 3.35Å; V170-V213 HydrophobicContact CB-CG1 4.08Å; V170-V213 PolarHBondContact N-O 3.28Å; V170-V213 PolarHBondContact O-N 3.22Å
171E94.8Very high94.5Very high25 Ų2541.2 Ų41.212%0.11722%0.224CC..EExtended strand (participates in β ladder)trans-105.8133.1167.1-59.4-175.8-152.700109.8F96 T97 R98 K210 N211 T212F96-E171 CarbonylContact C-O 3.57Å; T97-E171 PolarHBondContact N-O 3.14Å; T97-E171 PolarHBondContact OG1-O 3.19Å; R98-E171 HydrophobicContact CB-CB 3.83Å; R98-E171 HydrophobicContact CB-CG 3.95Å; R98-E171 WeakPolarHBondContact CD-OE1 3.45Å; R98-E171 IonicContact CZ-OE1 3.29Å; R98-E171 PolarHBondContact N-O 3.49Å; R98-E171 IonicContact NE-OE1 3.02Å; R98-E171 IonicContact NH1-OE1 2.72Å; R98-E171 PolarHBondContact NH1-OE1 3.17Å; R98-E171 PolarHBondContact O-N 3.11Å; E171-K210 WeakPolarHBondContact OE2-CE 3.23Å; E171-K210 IonicContact OE2-NZ 2.88Å; E171-K210 PolarHBondContact OE2-NZ 2.94Å; E171-N211 VanDerWaalsContact CA-O 3.29Å; E171-N211 WeakPolarHBondContact CA-O 3.39Å; E171-T212 HydrophobicContact CG-CG2 3.92Å
172F94.7Very high94.7Very high3 Ų340 Ų401%0.01322%0.218CC..EExtended strand (participates in β ladder)trans-148.6155.6177.666.5-83.1000113I94 D95 F96 V174 L179 F182 F202 N211 V213I94-F172 HydrophobicContact CG2-CD2 4.06Å; D95-F172 CarbonylContact O-C 3.59Å; D95-F172 WeakPolarHBondContact O-CA 3.42Å; D95-F172 VanDerWaalsContact O-CB 3.27Å; D95-F172 WeakPolarHBondContact O-CB 3.31Å; F96-F172 HydrophobicContact CD1-CB 3.65Å; F96-F172 HydrophobicContact CD1-CG 4.35Å; F96-F172 HydrophobicContact CE1-CB 3.95Å; F96-F172 HydrophobicContact CE1-CD1 4.25Å; F96-F172 HydrophobicContact CE1-CG 4.17Å; F96-F172 HydrophobicContact CG-CB 4.37Å; F172-V174 HydrophobicContact CD2-CG2 4.16Å; F172-V174 HydrophobicContact CE2-CG2 3.92Å; F172-L179 HydrophobicContact CE2-CD1 4.38Å; F172-F182 HydrophobicContact CE2-CD1 4.32Å; F172-F182 AromaticContact CE2-CE1 3.99Å; F172-F182 HydrophobicContact CE2-CE1 3.99Å; F172-F182 HydrophobicContact CZ-CD1 4.2Å; F172-F182 AromaticContact CZ-CE1 3.98Å; F172-F182 HydrophobicContact CZ-CE1 3.98Å; F172-F202 AromaticContact CE1-CD1 3.74Å; F172-F202 HydrophobicContact CE1-CD1 3.74Å; F172-F202 AromaticContact CE1-CE1 3.81Å; F172-F202 HydrophobicContact CE1-CE1 3.81Å; F172-F202 AromaticContact CZ-CD1 3.84Å; F172-F202 HydrophobicContact CZ-CD1 3.84Å; F172-F202 HydrophobicContact CZ-CE1 4.26Å; F172-N211 HydrophobicContact CD1-CB 4.09Å; F172-N211 HydrophobicContact CD2-CB 4.31Å; F172-N211 HydrophobicContact CE1-CB 3.62Å; F172-N211 HydrophobicContact CE2-CB 3.87Å; F172-N211 HydrophobicContact CG-CB 4.41Å; F172-N211 HydrophobicContact CZ-CB 3.5Å; F172-N211 PolarHBondContact N-O 2.75Å; F172-N211 PolarHBondContact O-N 3.27Å; F172-V213 HydrophobicContact CE1-CG1 4.3Å
173T95.5Very high95Very high45 Ų4536.1 Ų36.128%0.27619%0.193SC..EExtended strand (participates in β ladder)trans-106.7156.9171.954.80000111.3I94 D95 S209 K210I94-T173 WeakPolarHBondContact CA-O 3.32Å; D95-T173 WeakPolarHBondContact CB-OG1 3.1Å; D95-T173 PolarHBondContact N-O 3.3Å; D95-T173 PolarHBondContact O-N 3.23Å; T173-S209 CarbonylContact C-O 3.59Å; T173-S209 VanDerWaalsContact CA-O 3.27Å; T173-S209 WeakPolarHBondContact CA-O 3.47Å; T173-K210 HydrophobicContact CG2-CB 4.24Å; T173-K210 HydrophobicContact CG2-CG 4.25Å
174V96.2Very high95.3Very high6 Ų634.7 Ų34.74%0.03619%0.186CC..  trans-118.8138.6174.5179.70000108.7F172 Q177 L179 C205 F208 S209F172-V174 HydrophobicContact CD2-CG2 4.16Å; F172-V174 HydrophobicContact CE2-CG2 3.92Å; V174-Q177 VanDerWaalsContact CG1-O 3.26Å; V174-Q177 WeakPolarHBondContact CG1-O 3.34Å; V174-L179 HydrophobicContact CG1-CD1 4.42Å; V174-L179 HydrophobicContact CG1-CD2 3.91Å; V174-L179 HydrophobicContact CG1-CG 3.79Å; V174-L179 HydrophobicContact CG2-CD1 3.75Å; V174-L179 HydrophobicContact CG2-CG 3.97Å; V174-C205 HydrophobicContact CG2-CB 3.87Å; V174-F208 WeakPolarHBondContact O-CA 3.21Å; V174-F208 PolarHBondContact O-N 3.49Å; V174-F208 VanDerWaalsContact O-N 3.14Å; V174-S209 PolarHBondContact N-O 3.29Å
175G95.8Very high95.7Very high7 Ų728.5 Ų28.57%0.07216%0.159CC..  trans-69.9-153.7175.900000114.6F92 E93 Q177 P207 F208F92-G175 WeakPolarHBondContact O-CA 3.47Å; F92-G175 PolarHBondContact O-N 2.9Å; E93-G175 VanDerWaalsContact OE2-CA 3.23Å; E93-G175 WeakPolarHBondContact OE2-CA 3.49Å; G175-Q177 VanDerWaalsContact C-N 3.26Å; G175-Q177 PolarHBondContact O-N 3.29Å; G175-P207 CarbonylContact O-C 3.27Å; G175-P207 WeakPolarHBondContact O-CA 3.28Å; G175-F208 PolarHBondContact O-N 2.9Å
176S96.6Very high95.8Very high66 Ų6627.9 Ų27.946%0.46215%0.154SC..SBendtrans-70.9-14.7-175.561.70000115.5E93 F208E93-S176 PolarHBondContact OE2-N 3.35Å; S176-F208 VanDerWaalsContact CA-CZ 3.45Å; S176-F208 VanDerWaalsContact CB-CZ 3.44Å
177Q96.6Very high96Very high97 Ų9728.2 Ų28.245%0.45315%0.154SC..SBendtrans-107.2141.7-178.5-64.9-172.930.500111.7F92 V174 G175F92-Q177 HydrophobicContact CD1-CB 3.84Å; F92-Q177 HydrophobicContact CE1-CB 4.23Å; V174-Q177 VanDerWaalsContact CG1-O 3.26Å; V174-Q177 WeakPolarHBondContact CG1-O 3.34Å; G175-Q177 VanDerWaalsContact C-N 3.26Å; G175-Q177 PolarHBondContact O-N 3.29Å
178P96.7Very high96.1Very high48 Ų4829.3 Ų29.331%0.31216%0.16SC..PPolyproline II helixtrans-69.9144.7177.729.1-33.6000111.1F204 P207P178-F204 HydrophobicContact CB-CE2 3.81Å; P178-F204 HydrophobicContact CB-CZ 3.81Å; P178-P207 HydrophobicContact CB-CG 4.03Å; P178-P207 HydrophobicContact CG-CG 4.48Å
179L97.1Very high96.3Very high0 Ų029.2 Ų29.20%016%0.159CC..EExtended strand (participates in β ladder)trans-88121.3168.7-47.2-173.6000109F92 I94 F172 V174 F182 F204 C205 V245F92-L179 HydrophobicContact CB-CD2 3.42Å; F92-L179 VanDerWaalsContact CB-CD2 3.42Å; F92-L179 HydrophobicContact CD1-CD2 3.67Å; F92-L179 HydrophobicContact CD2-CD2 4.43Å; F92-L179 HydrophobicContact CG-CD2 3.6Å; I94-L179 HydrophobicContact CD1-CD1 3.75Å; I94-L179 HydrophobicContact CD1-CD2 3.85Å; I94-L179 HydrophobicContact CD1-CG 4.48Å; I94-L179 HydrophobicContact CG1-CD1 3.89Å; I94-L179 HydrophobicContact CG1-CD2 3.91Å; F172-L179 HydrophobicContact CE2-CD1 4.38Å; V174-L179 HydrophobicContact CG1-CD1 4.42Å; V174-L179 HydrophobicContact CG1-CD2 3.91Å; V174-L179 HydrophobicContact CG1-CG 3.79Å; V174-L179 HydrophobicContact CG2-CD1 3.75Å; V174-L179 HydrophobicContact CG2-CG 3.97Å; L179-F182 HydrophobicContact CB-CB 3.98Å; L179-F182 HydrophobicContact CB-CG 4.47Å; L179-F182 HydrophobicContact CD1-CB 4.12Å; L179-F182 HydrophobicContact CD1-CD1 3.69Å; L179-F182 HydrophobicContact CD1-CD2 4.13Å; L179-F182 HydrophobicContact CD1-CE1 4.09Å; L179-F182 HydrophobicContact CD1-CE2 4.47Å; L179-F182 HydrophobicContact CD1-CG 3.73Å; L179-F182 HydrophobicContact CD1-CZ 4.47Å; L179-F204 WeakPolarHBondContact O-CA 3.19Å; L179-F204 WeakPolarHBondContact O-CD2 3.46Å; L179-C205 HydrophobicContact CB-CB 3.93Å; L179-C205 HydrophobicContact CD1-CB 3.95Å; L179-C205 HydrophobicContact CG-CB 3.95Å; L179-C205 PolarHBondContact N-O 2.91Å; L179-C205 PolarHBondContact O-N 3.43Å; L179-V245 HydrophobicContact CB-CG1 4.43Å; L179-V245 HydrophobicContact CB-CG2 4.48Å; L179-V245 HydrophobicContact CD2-CG2 4.11Å
180N95.5Very high96.4Very high79 Ų7928.6 Ų28.642%0.42216%0.155SC..EExtended strand (participates in β ladder)trans-102.9130.2173-66.1-72.9000109.6F182 F204 G246N180-F182 VanDerWaalsContact C-N 3.27Å; N180-F182 PolarHBondContact O-N 3.29Å; N180-F204 WeakPolarHBondContact OD1-CD2 3.39Å; N180-F204 WeakPolarHBondContact OD1-CE2 3.23Å; N180-G246 PolarHBondContact O-N 3.36Å
181N95.1Very high96.5Very high111 Ų11132.7 Ų32.759%0.59417%0.169SC*.EExtended strand (participates in β ladder)trans5047.9179.6-57.1-12.8000112.2R183N181-R183 PolarHBondContact O-N 3.2Å
182F97.1Very high96.4Very high0 Ų037.2 Ų37.20%019%0.194CC..EExtended strand (participates in β ladder)trans-64.9123.2177.7-173.9-139.1000109.4I94 F96 F172 L179 N180 F202 G203 Y243 F244 V245 M251I94-F182 HydrophobicContact CD1-CD2 4.39Å; I94-F182 HydrophobicContact CD1-CE2 3.76Å; I94-F182 HydrophobicContact CD1-CZ 3.99Å; I94-F182 HydrophobicContact CG2-CZ 4.33Å; F96-F182 HydrophobicContact CZ-CZ 4.41Å; F172-F182 HydrophobicContact CE2-CD1 4.32Å; F172-F182 AromaticContact CE2-CE1 3.99Å; F172-F182 HydrophobicContact CE2-CE1 3.99Å; F172-F182 HydrophobicContact CZ-CD1 4.2Å; F172-F182 AromaticContact CZ-CE1 3.98Å; F172-F182 HydrophobicContact CZ-CE1 3.98Å; L179-F182 HydrophobicContact CB-CB 3.98Å; L179-F182 HydrophobicContact CB-CG 4.47Å; L179-F182 HydrophobicContact CD1-CB 4.12Å; L179-F182 HydrophobicContact CD1-CD1 3.69Å; L179-F182 HydrophobicContact CD1-CD2 4.13Å; L179-F182 HydrophobicContact CD1-CE1 4.09Å; L179-F182 HydrophobicContact CD1-CE2 4.47Å; L179-F182 HydrophobicContact CD1-CG 3.73Å; L179-F182 HydrophobicContact CD1-CZ 4.47Å; N180-F182 VanDerWaalsContact C-N 3.27Å; N180-F182 PolarHBondContact O-N 3.29Å; F182-F202 HydrophobicContact CB-CB 4.04Å; F182-F202 HydrophobicContact CD1-CB 3.54Å; F182-F202 AromaticContact CD1-CD1 3.8Å; F182-F202 HydrophobicContact CD1-CD1 3.8Å; F182-F202 AromaticContact CD1-CD2 3.68Å; F182-F202 HydrophobicContact CD1-CD2 3.68Å; F182-F202 HydrophobicContact CD1-CE1 4.35Å; F182-F202 HydrophobicContact CD1-CE2 4.28Å; F182-F202 AromaticContact CD1-CG 3.42Å; F182-F202 HydrophobicContact CD1-CG 3.42Å; F182-F202 VanDerWaalsContact CD1-CG 3.42Å; F182-F202 HydrophobicContact CE1-CB 4.4Å; F182-F202 AromaticContact CE1-CD1 3.81Å; F182-F202 HydrophobicContact CE1-CD1 3.81Å; F182-F202 AromaticContact CE1-CD2 3.93Å; F182-F202 HydrophobicContact CE1-CD2 3.93Å; F182-F202 AromaticContact CE1-CE1 3.89Å; F182-F202 HydrophobicContact CE1-CE1 3.89Å; F182-F202 HydrophobicContact CE1-CE2 4.06Å; F182-F202 AromaticContact CE1-CG 3.82Å; F182-F202 HydrophobicContact CE1-CG 3.82Å; F182-F202 HydrophobicContact CE1-CZ 4.02Å; F182-F202 HydrophobicContact CG-CB 4.12Å; F182-F202 HydrophobicContact CG-CD2 4.17Å; F182-F202 HydrophobicContact CG-CG 4.22Å; F182-F202 HydrophobicContact CZ-CE2 4.48Å; F182-F202 WeakPolarHBondContact O-CA 3.21Å; F182-F202 WeakPolarHBondContact O-CB 3.35Å; F182-F202 PolarHBondContact O-N 3.38Å; F182-G203 WeakPolarHBondContact CB-O 3.04Å; F182-G203 PolarHBondContact N-O 3.49Å; F182-G203 PolarHBondContact O-N 3.22Å; F182-Y243 AromaticContact CE2-CD1 3.82Å; F182-Y243 HydrophobicContact CE2-CD1 3.82Å; F182-Y243 HydrophobicContact CE2-CG 4.37Å; F182-Y243 AromaticContact CZ-CD1 3.58Å; F182-Y243 HydrophobicContact CZ-CD1 3.58Å; F182-Y243 HydrophobicContact CZ-CE1 4.25Å; F182-Y243 HydrophobicContact CZ-CG 4.45Å; F182-F244 WeakPolarHBondContact CA-O 3.39Å; F182-F244 WeakPolarHBondContact CD2-O 3.08Å; F182-V245 HydrophobicContact CD2-CG2 3.72Å; F182-V245 HydrophobicContact CE2-CG2 4.29Å; F182-M251 HydrophobicContact CE2-CE 4.36Å; F182-M251 HydrophobicContact CZ-CE 4.19Å
183R97Very high96.4Very high45 Ų4543.1 Ų43.117%0.1722%0.216CC..EExtended strand (participates in β ladder)trans-141.1138.1-171-179.9179.9176-165.7-3.7109.6N181 I185 D199 F200 E201 Y243 F244N181-R183 PolarHBondContact O-N 3.2Å; R183-I185 HydrophobicContact CG-CG1 4.48Å; R183-D199 IonicContact CZ-OD1 3.54Å; R183-D199 IonicContact CZ-OD2 3.02Å; R183-D199 IonicContact NE-OD1 2.76Å; R183-D199 PolarHBondContact NE-OD1 3.35Å; R183-D199 IonicContact NE-OD2 3.19Å; R183-D199 VanDerWaalsContact NH2-CG 3.27Å; R183-D199 IonicContact NH2-OD1 2.62Å; R183-D199 PolarHBondContact NH2-OD1 2.88Å; R183-D199 IonicContact NH2-OD2 2.77Å; R183-D199 PolarHBondContact NH2-OD2 2.96Å; R183-F200 CarbonylContact C-O 3.52Å; R183-F200 VanDerWaalsContact CA-O 3.31Å; R183-F200 WeakPolarHBondContact CA-O 3.32Å; R183-F200 WeakPolarHBondContact CG-O 3.37Å; R183-E201 HydrophobicContact CG-CG 4.17Å; R183-Y243 CarbonylContact O-C 3.51Å; R183-Y243 WeakPolarHBondContact O-CA 3.38Å; R183-F244 PolarHBondContact N-O 2.7Å; R183-F244 PolarHBondContact O-N 3.16Å
184M97Very high96.5Very high4 Ų442.7 Ų42.72%0.0221%0.212CC..EExtended strand (participates in β ladder)trans-115.5128.2171.2179-176.779.800109.7F200 F202 F242 Y243M184-F200 HydrophobicContact CE-CD2 3.49Å; M184-F200 VanDerWaalsContact CE-CD2 3.49Å; M184-F200 HydrophobicContact CE-CE2 4.03Å; M184-F200 HydrophobicContact CE-CG 4.41Å; M184-F200 PolarHBondContact N-O 3.22Å; M184-F200 PolarHBondContact O-N 3.38Å; M184-F202 HydrophobicContact CB-CE2 3.56Å; M184-F202 HydrophobicContact CB-CZ 4.23Å; M184-F242 CarbonylContact C-O 3.57Å; M184-F242 VanDerWaalsContact CA-O 3.28Å; M184-F242 WeakPolarHBondContact CA-O 3.4Å; M184-Y243 HydrophobicContact CB-CD1 3.89Å; M184-Y243 HydrophobicContact CB-CE1 3.84Å; M184-Y243 HydrophobicContact CG-CD1 4.07Å; M184-Y243 HydrophobicContact CG-CE1 3.73Å; M184-Y243 HydrophobicContact CG-CE2 4.46Å; M184-Y243 HydrophobicContact SD-CD1 4.41Å; M184-Y243 HydrophobicContact SD-CE1 3.49Å; M184-Y243 WeakPolarHBondContact SD-CE1 3.47Å; M184-Y243 HydrophobicContact SD-CE2 4.33Å; M184-Y243 PolarHBondContact SD-OH 2.78Å
185I97.8Very high96.4Very high0 Ų043.1 Ų43.10%021%0.214CC..EExtended strand (participates in β ladder)trans-111.5122.7169.8-62.2171.5000107P70 V73 L74 R183 R187 T197 F198 F242 F244P70-I185 HydrophobicContact CB-CD1 3.83Å; V73-I185 HydrophobicContact CG2-CB 4.29Å; V73-I185 HydrophobicContact CG2-CD1 3.78Å; V73-I185 HydrophobicContact CG2-CG2 4.14Å; L74-I185 HydrophobicContact CD1-CD1 4.38Å; L74-I185 HydrophobicContact CD2-CD1 4.29Å; L74-I185 HydrophobicContact CD2-CG2 3.8Å; L74-I185 HydrophobicContact CG-CD1 4.06Å; L74-I185 HydrophobicContact CG-CG2 4.44Å; R183-I185 HydrophobicContact CG-CG1 4.48Å; I185-R187 HydrophobicContact CG2-CG 4.34Å; I185-T197 HydrophobicContact CG2-CG2 4.29Å; I185-F198 CarbonylContact C-O 3.59Å; I185-F198 WeakPolarHBondContact CA-O 3.18Å; I185-F242 PolarHBondContact N-O 3.15Å; I185-F242 WeakPolarHBondContact O-CD2 3.4Å; I185-F242 PolarHBondContact O-N 2.74Å; I185-F244 HydrophobicContact CD1-CD2 4.37Å; I185-F244 HydrophobicContact CD1-CE2 3.99Å; I185-F244 HydrophobicContact CG1-CE2 4.46Å
186E97.4Very high96.4Very high17 Ų1743 Ų438%0.07921%0.212CC..EExtended strand (participates in β ladder)trans-120.6128.7-179.7-174.2172.592.100110.2H188 T197 F198 Y217 D240 S241E186-H188 WeakPolarHBondContact CG-NE2 3.39Å; E186-H188 IonicContact OE1-CD2 3.16Å; E186-H188 IonicContact OE1-CE1 2.64Å; E186-H188 IonicContact OE1-NE2 2.63Å; E186-H188 PolarHBondContact OE1-NE2 3.04Å; E186-T197 CarbonylContact O-C 3.54Å; E186-T197 WeakPolarHBondContact O-CA 3.23Å; E186-F198 HydrophobicContact CB-CB 4.4Å; E186-F198 PolarHBondContact N-O 3Å; E186-F198 PolarHBondContact O-N 2.83Å; E186-Y217 VanDerWaalsContact OE1-CE1 3.26Å; E186-Y217 WeakPolarHBondContact OE1-CE1 3.34Å; E186-Y217 PolarHBondContact OE1-OH 3.32Å; E186-D240 CarbonylContact C-O 3.6Å; E186-D240 VanDerWaalsContact CA-O 3.31Å; E186-D240 WeakPolarHBondContact CA-O 3.25Å; E186-S241 WeakPolarHBondContact CG-OG 3.25Å; E186-S241 PolarHBondContact OE2-OG 3.24Å
187R97.5Very high96.3Very high11 Ų1140 Ų404%0.04219%0.19CC..EExtended strand (participates in β ladder)trans-121.5121.2-176.8-58.4-174.369.482.4-10.1110.1V73 L74 L76 I185 F189 L194 T197 S239 D240 F242V73-R187 WeakPolarHBondContact O-CD 3.18Å; V73-R187 PolarHBondContact O-NE 3.34Å; L74-R187 PolarHBondContact O-NH1 3.18Å; L74-R187 PolarHBondContact O-NH2 3.08Å; L76-R187 PolarHBondContact O-NE 2.88Å; L76-R187 PolarHBondContact O-NH2 2.72Å; I185-R187 HydrophobicContact CG2-CG 4.34Å; R187-F189 HydrophobicContact CB-CD2 4.29Å; R187-F189 HydrophobicContact CB-CE2 3.56Å; R187-F189 HydrophobicContact CB-CZ 4.27Å; R187-L194 HydrophobicContact CB-CD1 4.41Å; R187-T197 HydrophobicContact CG-CG2 4.26Å; R187-T197 PolarHBondContact NH1-OG1 2.54Å; R187-S239 WeakPolarHBondContact O-CA 3.2Å; R187-S239 WeakPolarHBondContact O-CB 2.94Å; R187-D240 PolarHBondContact N-O 2.8Å; R187-D240 PolarHBondContact O-N 3.03Å; R187-D240 VanDerWaalsContact O-N 3.08Å; R187-F242 HydrophobicContact CG-CE2 4.46Å
188H97.2Very high96.3Very high23 Ų2336 Ų3611%0.10617%0.172CC..EExtended strand (participates in β ladder)trans-104127-179.4-73.2-106.3000110.1E186 L195 K196 F198 Y257E186-H188 WeakPolarHBondContact CG-NE2 3.39Å; E186-H188 IonicContact OE1-CD2 3.16Å; E186-H188 IonicContact OE1-CE1 2.64Å; E186-H188 IonicContact OE1-NE2 2.63Å; E186-H188 PolarHBondContact OE1-NE2 3.04Å; H188-L195 HydrophobicContact CB-CB 4.29Å; H188-L195 PolarHBondContact O-N 2.99Å; H188-K196 PolarHBondContact N-O 3.45Å; H188-K196 PolarHBondContact O-N 2.87Å; H188-F198 AromaticContact CD2-CD2 3.76Å; H188-F198 AromaticContact CD2-CE2 3.77Å; H188-F198 AromaticContact NE2-CD2 4Å; H188-F198 AromaticContact NE2-CE2 3.98Å; H188-Y257 AromaticContact CE1-CZ 3.75Å; H188-Y257 PolarHBondContact CE1-OH 2.84Å; H188-Y257 VanDerWaalsContact CE1-OH 3.29Å
189F97.8Very high96.3Very high1 Ų134.1 Ų34.10%0.00416%0.159CC..EExtended strand (participates in β ladder)trans-124.2143178.5-64.7-91.5000110.4T77 I79 R187 R191 R193 L194 T237 R238T77-F189 VanDerWaalsContact C-CE1 3.49Å; T77-F189 WeakPolarHBondContact O-CE1 3.41Å; I79-F189 HydrophobicContact CB-CD2 4.37Å; I79-F189 HydrophobicContact CD1-CD2 4.26Å; R187-F189 HydrophobicContact CB-CD2 4.29Å; R187-F189 HydrophobicContact CB-CE2 3.56Å; R187-F189 HydrophobicContact CB-CZ 4.27Å; F189-R191 WeakPolarHBondContact CB-O 3.29Å; F189-R193 CarbonylContact C-O 3.59Å; F189-R193 VanDerWaalsContact CA-O 3.27Å; F189-R193 WeakPolarHBondContact CA-O 3.35Å; F189-L194 HydrophobicContact CD1-CB 4.05Å; F189-L194 HydrophobicContact CD1-CD1 4.15Å; F189-L194 HydrophobicContact CE1-CB 3.77Å; F189-L194 HydrophobicContact CE1-CD1 3.67Å; F189-L194 HydrophobicContact CE1-CG 4.31Å; F189-L194 HydrophobicContact CE2-CD1 4.12Å; F189-L194 HydrophobicContact CZ-CD1 3.67Å; F189-T237 CarbonylContact O-C 3.44Å; F189-T237 VanDerWaalsContact O-CA 3.28Å; F189-T237 WeakPolarHBondContact O-CA 3.46Å; F189-R238 PolarHBondContact N-O 3.31Å; F189-R238 PolarHBondContact O-N 2.98Å
190F97.6Very high96.2Very high5 Ų534.1 Ų34.12%0.02216%0.159CC..EExtended strand (participates in β ladder)trans-108109.4158.3178.8-119.8000107.2D192 R193 L195 L226 E229 M230 E236 T237F190-D192 PolarHBondContact O-N 2.8Å; F190-R193 PolarHBondContact N-O 2.59Å; F190-R193 WeakPolarHBondContact O-CB 3.08Å; F190-R193 PolarHBondContact O-N 2.85Å; F190-L195 HydrophobicContact CB-CD1 3.99Å; F190-L195 HydrophobicContact CB-CD2 3.94Å; F190-L195 HydrophobicContact CB-CG 4.04Å; F190-L226 HydrophobicContact CD1-CD1 3.64Å; F190-L226 HydrophobicContact CE1-CD1 3.98Å; F190-E229 HydrophobicContact CE1-CB 4.23Å; F190-E229 HydrophobicContact CE1-CG 3.86Å; F190-E229 HydrophobicContact CZ-CB 4.29Å; F190-E229 HydrophobicContact CZ-CG 3.85Å; F190-M230 HydrophobicContact CB-CG 4.39Å; F190-M230 HydrophobicContact CD1-CG 4.04Å; F190-M230 HydrophobicContact CD2-CG 3.71Å; F190-M230 HydrophobicContact CE1-CG 4.17Å; F190-M230 HydrophobicContact CE2-CB 4.37Å; F190-M230 HydrophobicContact CE2-CG 3.85Å; F190-M230 HydrophobicContact CG-CG 3.79Å; F190-M230 HydrophobicContact CZ-CG 4.08Å; F190-E236 HydrophobicContact CD2-CB 4.2Å; F190-E236 HydrophobicContact CE2-CB 3.77Å; F190-T237 VanDerWaalsContact CD2-OG1 3.29Å; F190-T237 WeakPolarHBondContact CD2-OG1 3.45Å
191R95.5Very high96.1Very high93 Ų9335 Ų3535%0.35116%0.161SC..THydrogen-bonded Turntrans53-120.3-164.6-52.8179.8178.4106.412.4110.5F189 E229 S233 E236F189-R191 WeakPolarHBondContact CB-O 3.29Å; R191-E229 IonicContact CZ-OE1 2.85Å; R191-E229 VanDerWaalsContact NH1-CD 3.25Å; R191-E229 IonicContact NH1-OE1 2.8Å; R191-E229 PolarHBondContact NH1-OE1 3.14Å; R191-E229 IonicContact NH1-OE2 3.77Å; R191-E229 IonicContact NH2-OE1 3.87Å; R191-S233 PolarHBondContact NH2-OG 2.81Å; R191-S233 VanDerWaalsContact NH2-OG 3.08Å; R191-E236 HydrophobicContact CG-CB 4.49Å; R191-E236 WeakPolarHBondContact CG-OE2 3.46Å; R191-E236 IonicContact CZ-OE2 2.74Å; R191-E236 PolarHBondContact N-O 2.88Å; R191-E236 IonicContact NE-OE2 3.97Å; R191-E236 PolarHBondContact NE-OE2 2.82Å; R191-E236 IonicContact NH2-OE1 3.67Å; R191-E236 IonicContact NH2-OE2 3.88Å; R191-E236 PolarHBondContact NH2-OE2 3.44Å
192D93.3Very high96.1Very high120 Ų12031.1 Ų31.164%0.64214%0.138SC*.THydrogen-bonded Turntrans-95.15177.2-62.3-36.1000113.3F190F190-D192 PolarHBondContact O-N 2.8Å
193R94.9Very high95.9Very high127 Ų12732.3 Ų32.348%0.47915%0.151SC..EExtended strand (participates in β ladder)trans-91.4114.3178.4-176.3179.5178.6177.3-1.1110.3F189 F190 L195F189-R193 CarbonylContact C-O 3.59Å; F189-R193 VanDerWaalsContact CA-O 3.27Å; F189-R193 WeakPolarHBondContact CA-O 3.35Å; F190-R193 PolarHBondContact N-O 2.59Å; F190-R193 WeakPolarHBondContact O-CB 3.08Å; F190-R193 PolarHBondContact O-N 2.85Å; R193-L195 PolarHBondContact O-N 3.03Å; R193-L195 VanDerWaalsContact O-N 3.14Å
194L95.9Very high95.8Very high36 Ų3635 Ų3519%0.18816%0.164CC..EExtended strand (participates in β ladder)trans-62.9114.7168.8-176.668.8000109.7P10 R187 F189P10-L194 HydrophobicContact CB-CD2 4.04Å; P10-L194 HydrophobicContact CB-CG 4.48Å; P10-L194 HydrophobicContact CG-CD2 3.98Å; P10-L194 HydrophobicContact CG-CG 4.08Å; R187-L194 HydrophobicContact CB-CD1 4.41Å; F189-L194 HydrophobicContact CD1-CB 4.05Å; F189-L194 HydrophobicContact CD1-CD1 4.15Å; F189-L194 HydrophobicContact CE1-CB 3.77Å; F189-L194 HydrophobicContact CE1-CD1 3.67Å; F189-L194 HydrophobicContact CE1-CG 4.31Å; F189-L194 HydrophobicContact CE2-CD1 4.12Å; F189-L194 HydrophobicContact CZ-CD1 3.67Å
195L95.4Very high95.8Very high16 Ų1635 Ų358%0.08416%0.164CC..EExtended strand (participates in β ladder)trans-81.3-47.3174.2-62.4-179.5000110.4H188 F190 R193 L222 L226 M230 T237H188-L195 HydrophobicContact CB-CB 4.29Å; H188-L195 PolarHBondContact O-N 2.99Å; F190-L195 HydrophobicContact CB-CD1 3.99Å; F190-L195 HydrophobicContact CB-CD2 3.94Å; F190-L195 HydrophobicContact CB-CG 4.04Å; R193-L195 PolarHBondContact O-N 3.03Å; R193-L195 VanDerWaalsContact O-N 3.14Å; L195-L222 HydrophobicContact CD2-CD2 4.23Å; L195-L226 HydrophobicContact CD2-CD2 3.99Å; L195-M230 HydrophobicContact CD1-CE 3.72Å; L195-M230 HydrophobicContact CD1-SD 4.16Å; L195-M230 HydrophobicContact CD2-SD 4.39Å; L195-T237 HydrophobicContact CD1-CG2 3.91Å
196K94.6Very high95.7Very high4 Ų441.5 Ų41.52%0.01719%0.193CC..EExtended strand (participates in β ladder)trans-163.4148-172.5-161.871.2172.1-140.80111.4Q7 H188 F198 E218 P220Q7-K196 VanDerWaalsContact CD-CE 3.5Å; H188-K196 PolarHBondContact N-O 3.45Å; H188-K196 PolarHBondContact O-N 2.87Å; K196-F198 HydrophobicContact CB-CE2 3.91Å; K196-F198 HydrophobicContact CB-CZ 4.16Å; K196-F198 HydrophobicContact CD-CZ 4.37Å; K196-F198 HydrophobicContact CG-CD1 4.37Å; K196-F198 HydrophobicContact CG-CD2 4.11Å; K196-F198 HydrophobicContact CG-CE1 3.81Å; K196-F198 HydrophobicContact CG-CE2 3.51Å; K196-F198 HydrophobicContact CG-CZ 3.35Å; K196-E218 WeakPolarHBondContact CE-O 3.24Å; K196-E218 PolarHBondContact NZ-O 2.84Å; K196-P220 HydrophobicContact CB-CG 4.48Å; K196-P220 HydrophobicContact CD-CB 4.29Å; K196-P220 HydrophobicContact CD-CG 4.44Å
197T96Very high95.7Very high2 Ų243 Ų431%0.01220%0.204CC..EExtended strand (participates in β ladder)trans-118.8129.5165.3-60.50000108.9L8 L74 I185 E186 R187L8-T197 HydrophobicContact CB-CG2 4.49Å; L8-T197 HydrophobicContact CD1-CG2 4.4Å; L74-T197 HydrophobicContact CD2-CG2 3.84Å; I185-T197 HydrophobicContact CG2-CG2 4.29Å; E186-T197 CarbonylContact O-C 3.54Å; E186-T197 WeakPolarHBondContact O-CA 3.23Å; R187-T197 HydrophobicContact CG-CG2 4.26Å; R187-T197 PolarHBondContact NH1-OG1 2.54Å
198F95.8Very high95.6Very high13 Ų1350.1 Ų50.16%0.05724%0.236CC..EExtended strand (participates in β ladder)trans-111.4138.6172.1-58.2-81.5000109.4I185 E186 H188 K196 F200 Y217I185-F198 CarbonylContact C-O 3.59Å; I185-F198 WeakPolarHBondContact CA-O 3.18Å; E186-F198 HydrophobicContact CB-CB 4.4Å; E186-F198 PolarHBondContact N-O 3Å; E186-F198 PolarHBondContact O-N 2.83Å; H188-F198 AromaticContact CD2-CD2 3.76Å; H188-F198 AromaticContact CD2-CE2 3.77Å; H188-F198 AromaticContact NE2-CD2 4Å; H188-F198 AromaticContact NE2-CE2 3.98Å; K196-F198 HydrophobicContact CB-CE2 3.91Å; K196-F198 HydrophobicContact CB-CZ 4.16Å; K196-F198 HydrophobicContact CD-CZ 4.37Å; K196-F198 HydrophobicContact CG-CD1 4.37Å; K196-F198 HydrophobicContact CG-CD2 4.11Å; K196-F198 HydrophobicContact CG-CE1 3.81Å; K196-F198 HydrophobicContact CG-CE2 3.51Å; K196-F198 HydrophobicContact CG-CZ 3.35Å; F198-F200 HydrophobicContact CB-CD2 4.13Å; F198-F200 HydrophobicContact CB-CE2 3.48Å; F198-F200 VanDerWaalsContact CB-CE2 3.48Å; F198-F200 HydrophobicContact CB-CZ 4.06Å; F198-F200 HydrophobicContact CD1-CE2 4.47Å; F198-F200 HydrophobicContact CD1-CZ 4.27Å; F198-F200 HydrophobicContact CG-CE2 4.2Å; F198-F200 HydrophobicContact CG-CZ 4.45Å; F198-Y217 HydrophobicContact CB-CE1 4.25Å; F198-Y217 AromaticContact CD1-CD1 3.69Å; F198-Y217 HydrophobicContact CD1-CD1 3.69Å; F198-Y217 HydrophobicContact CD1-CE1 4.15Å; F198-Y217 HydrophobicContact CD1-CG 4.47Å; F198-Y217 AromaticContact CD2-CD1 3.7Å; F198-Y217 HydrophobicContact CD2-CD1 3.7Å; F198-Y217 AromaticContact CD2-CE1 3.67Å; F198-Y217 HydrophobicContact CD2-CE1 3.67Å; F198-Y217 AromaticContact CE1-CD1 3.57Å; F198-Y217 HydrophobicContact CE1-CD1 3.57Å; F198-Y217 HydrophobicContact CE1-CE1 4.41Å; F198-Y217 HydrophobicContact CE1-CG 4.22Å; F198-Y217 AromaticContact CE2-CD1 3.58Å; F198-Y217 HydrophobicContact CE2-CD1 3.58Å; F198-Y217 AromaticContact CE2-CE1 3.96Å; F198-Y217 HydrophobicContact CE2-CE1 3.96Å; F198-Y217 AromaticContact CG-CD1 3.75Å; F198-Y217 HydrophobicContact CG-CD1 3.75Å; F198-Y217 AromaticContact CG-CE1 3.76Å; F198-Y217 HydrophobicContact CG-CE1 3.76Å; F198-Y217 AromaticContact CZ-CD1 3.49Å; F198-Y217 HydrophobicContact CZ-CD1 3.49Å; F198-Y217 VanDerWaalsContact CZ-CD1 3.49Å; F198-Y217 HydrophobicContact CZ-CE1 4.31Å; F198-Y217 HydrophobicContact CZ-CG 4.37Å
199D96Very high95.6Very high9 Ų950 Ų505%0.04824%0.238CC..EExtended strand (participates in β ladder)trans-136106-177.2-177.312.8000109.3G5 K6 R183G5-D199 CarbonylContact C-O 3.44Å; G5-D199 VanDerWaalsContact CA-O 3.28Å; G5-D199 WeakPolarHBondContact CA-O 3.46Å; K6-D199 HydrophobicContact CB-CB 4.42Å; K6-D199 PolarHBondContact N-O 2.97Å; R183-D199 IonicContact CZ-OD1 3.54Å; R183-D199 IonicContact CZ-OD2 3.02Å; R183-D199 IonicContact NE-OD1 2.76Å; R183-D199 PolarHBondContact NE-OD1 3.35Å; R183-D199 IonicContact NE-OD2 3.19Å; R183-D199 VanDerWaalsContact NH2-CG 3.27Å; R183-D199 IonicContact NH2-OD1 2.62Å; R183-D199 PolarHBondContact NH2-OD1 2.88Å; R183-D199 IonicContact NH2-OD2 2.77Å; R183-D199 PolarHBondContact NH2-OD2 2.96Å
200F95.5Very high95.5Very high0 Ų056.3 Ų56.30%027%0.265CS..EExtended strand (participates in β ladder)trans-114.5128.5-174.6-61.6-77.4000110.5V3 R183 M184 F198 H215 Y217V3-F200 HydrophobicContact CG1-CD1 4.48Å; R183-F200 CarbonylContact C-O 3.52Å; R183-F200 VanDerWaalsContact CA-O 3.31Å; R183-F200 WeakPolarHBondContact CA-O 3.32Å; R183-F200 WeakPolarHBondContact CG-O 3.37Å; M184-F200 HydrophobicContact CE-CD2 3.49Å; M184-F200 VanDerWaalsContact CE-CD2 3.49Å; M184-F200 HydrophobicContact CE-CE2 4.03Å; M184-F200 HydrophobicContact CE-CG 4.41Å; M184-F200 PolarHBondContact N-O 3.22Å; M184-F200 PolarHBondContact O-N 3.38Å; F198-F200 HydrophobicContact CB-CD2 4.13Å; F198-F200 HydrophobicContact CB-CE2 3.48Å; F198-F200 VanDerWaalsContact CB-CE2 3.48Å; F198-F200 HydrophobicContact CB-CZ 4.06Å; F198-F200 HydrophobicContact CD1-CE2 4.47Å; F198-F200 HydrophobicContact CD1-CZ 4.27Å; F198-F200 HydrophobicContact CG-CE2 4.2Å; F198-F200 HydrophobicContact CG-CZ 4.45Å; F200-H215 HydrophobicContact CD1-CB 4.03Å; F200-H215 AromaticContact CD1-CD2 3.68Å; F200-H215 AromaticContact CD1-CG 3.85Å; F200-H215 HydrophobicContact CD2-CB 4.47Å; F200-H215 HydrophobicContact CE1-CB 3.68Å; F200-H215 HydrophobicContact CE2-CB 4.13Å; F200-H215 HydrophobicContact CG-CB 4.41Å; F200-H215 AromaticContact CG-CD2 3.8Å; F200-H215 AromaticContact CG-CG 3.9Å; F200-H215 HydrophobicContact CZ-CB 3.75Å; F200-Y217 HydrophobicContact CE2-CD1 4.44Å; F200-Y217 AromaticContact CE2-CE1 3.79Å; F200-Y217 HydrophobicContact CE2-CE1 3.79Å; F200-Y217 AromaticContact CE2-CE2 3.97Å; F200-Y217 HydrophobicContact CE2-CE2 3.97Å; F200-Y217 AromaticContact CE2-CZ 3.53Å; F200-Y217 HydrophobicContact CZ-CD1 4.31Å; F200-Y217 HydrophobicContact CZ-CD2 4.13Å; F200-Y217 HydrophobicContact CZ-CE1 4.08Å; F200-Y217 AromaticContact CZ-CE2 3.88Å; F200-Y217 HydrophobicContact CZ-CE2 3.88Å; F200-Y217 HydrophobicContact CZ-CG 4.33Å; F200-Y217 AromaticContact CZ-CZ 3.88Å
201E94.3Very high95.4Very high98 Ų9858 Ų5846%0.45827%0.274SS..EExtended strand (participates in β ladder)trans-102.5113.7173.4-67.4174-15100108.8K6 R183K6-E201 IonicContact NZ-OE1 3.98Å; K6-E201 PolarHBondContact NZ-OE1 3.12Å; R183-E201 HydrophobicContact CG-CG 4.17Å
202F93.9Very high95.4Very high29 Ų2957 Ų5713%0.12728%0.279CS..EExtended strand (participates in β ladder)trans-77.8-31.1171-59-112.8000110.2F172 F182 M184 V213 H215 Y243F172-F202 AromaticContact CE1-CD1 3.74Å; F172-F202 HydrophobicContact CE1-CD1 3.74Å; F172-F202 AromaticContact CE1-CE1 3.81Å; F172-F202 HydrophobicContact CE1-CE1 3.81Å; F172-F202 AromaticContact CZ-CD1 3.84Å; F172-F202 HydrophobicContact CZ-CD1 3.84Å; F172-F202 HydrophobicContact CZ-CE1 4.26Å; F182-F202 HydrophobicContact CB-CB 4.04Å; F182-F202 HydrophobicContact CD1-CB 3.54Å; F182-F202 AromaticContact CD1-CD1 3.8Å; F182-F202 HydrophobicContact CD1-CD1 3.8Å; F182-F202 AromaticContact CD1-CD2 3.68Å; F182-F202 HydrophobicContact CD1-CD2 3.68Å; F182-F202 HydrophobicContact CD1-CE1 4.35Å; F182-F202 HydrophobicContact CD1-CE2 4.28Å; F182-F202 AromaticContact CD1-CG 3.42Å; F182-F202 HydrophobicContact CD1-CG 3.42Å; F182-F202 VanDerWaalsContact CD1-CG 3.42Å; F182-F202 HydrophobicContact CE1-CB 4.4Å; F182-F202 AromaticContact CE1-CD1 3.81Å; F182-F202 HydrophobicContact CE1-CD1 3.81Å; F182-F202 AromaticContact CE1-CD2 3.93Å; F182-F202 HydrophobicContact CE1-CD2 3.93Å; F182-F202 AromaticContact CE1-CE1 3.89Å; F182-F202 HydrophobicContact CE1-CE1 3.89Å; F182-F202 HydrophobicContact CE1-CE2 4.06Å; F182-F202 AromaticContact CE1-CG 3.82Å; F182-F202 HydrophobicContact CE1-CG 3.82Å; F182-F202 HydrophobicContact CE1-CZ 4.02Å; F182-F202 HydrophobicContact CG-CB 4.12Å; F182-F202 HydrophobicContact CG-CD2 4.17Å; F182-F202 HydrophobicContact CG-CG 4.22Å; F182-F202 HydrophobicContact CZ-CE2 4.48Å; F182-F202 WeakPolarHBondContact O-CA 3.21Å; F182-F202 WeakPolarHBondContact O-CB 3.35Å; F182-F202 PolarHBondContact O-N 3.38Å; M184-F202 HydrophobicContact CB-CE2 3.56Å; M184-F202 HydrophobicContact CB-CZ 4.23Å; F202-V213 HydrophobicContact CD1-CB 4.5Å; F202-V213 HydrophobicContact CD1-CG1 3.84Å; F202-V213 HydrophobicContact CE1-CG1 3.55Å; F202-H215 AromaticContact CE1-CE1 3.71Å; F202-H215 AromaticContact CE1-NE2 3.77Å; F202-H215 AromaticContact CE2-CE1 3.97Å; F202-H215 AromaticContact CZ-CE1 3.34Å; F202-H215 WeakPolarHBondContact CZ-CE1 3.23Å; F202-H215 AromaticContact CZ-NE2 3.67Å; F202-Y243 HydrophobicContact CZ-CE1 4.23Å
203G93.8Very high95.4Very high25 Ų2551.9 Ų51.926%0.25825%0.251SS..EExtended strand (participates in β ladder)trans84.4-138.217900000112.4F182F182-G203 WeakPolarHBondContact CB-O 3.04Å; F182-G203 PolarHBondContact N-O 3.49Å; F182-G203 PolarHBondContact O-N 3.22Å
204F95.6Very high95.4Very high101 Ų10147.2 Ų47.244%0.44324%0.235SC..EExtended strand (participates in β ladder)trans-86.3130.7-179.5-178.7-91.9000111P178 L179 N180 F206P178-F204 HydrophobicContact CB-CE2 3.81Å; P178-F204 HydrophobicContact CB-CZ 3.81Å; L179-F204 WeakPolarHBondContact O-CA 3.19Å; L179-F204 WeakPolarHBondContact O-CD2 3.46Å; N180-F204 WeakPolarHBondContact OD1-CD2 3.39Å; N180-F204 WeakPolarHBondContact OD1-CE2 3.23Å; F204-F206 HydrophobicContact CD1-CD2 4.27Å; F204-F206 HydrophobicContact CD1-CE1 4.48Å; F204-F206 HydrophobicContact CD1-CE2 4.14Å; F204-F206 HydrophobicContact CD1-CG 4.49Å; F204-F206 HydrophobicContact CD1-CZ 4.25Å; F204-F206 AromaticContact CE1-CD1 3.66Å; F204-F206 HydrophobicContact CE1-CD1 3.66Å; F204-F206 HydrophobicContact CE1-CD2 4.04Å; F204-F206 AromaticContact CE1-CE1 3.68Å; F204-F206 HydrophobicContact CE1-CE1 3.68Å; F204-F206 HydrophobicContact CE1-CE2 4.06Å; F204-F206 AromaticContact CE1-CG 3.84Å; F204-F206 HydrophobicContact CE1-CG 3.84Å; F204-F206 AromaticContact CE1-CZ 3.88Å; F204-F206 HydrophobicContact CE1-CZ 3.88Å; F204-F206 HydrophobicContact CZ-CD1 4.43Å
205C96.3Very high95.3Very high5 Ų545.5 Ų45.53%0.03423%0.226CC..EExtended strand (participates in β ladder)trans-120.2131.6172.7-530000110.3V174 L179V174-C205 HydrophobicContact CG2-CB 3.87Å; L179-C205 HydrophobicContact CB-CB 3.93Å; L179-C205 HydrophobicContact CD1-CB 3.95Å; L179-C205 HydrophobicContact CG-CB 3.95Å; L179-C205 PolarHBondContact N-O 2.91Å; L179-C205 PolarHBondContact O-N 3.43Å
206F96Very high95.2Very high137 Ų13745.9 Ų45.960%0.60123%0.228SC*.  trans-70.6150.6-178.3-71.4-88.1000111.8F204 S209F204-F206 HydrophobicContact CD1-CD2 4.27Å; F204-F206 HydrophobicContact CD1-CE1 4.48Å; F204-F206 HydrophobicContact CD1-CE2 4.14Å; F204-F206 HydrophobicContact CD1-CG 4.49Å; F204-F206 HydrophobicContact CD1-CZ 4.25Å; F204-F206 AromaticContact CE1-CD1 3.66Å; F204-F206 HydrophobicContact CE1-CD1 3.66Å; F204-F206 HydrophobicContact CE1-CD2 4.04Å; F204-F206 AromaticContact CE1-CE1 3.68Å; F204-F206 HydrophobicContact CE1-CE1 3.68Å; F204-F206 HydrophobicContact CE1-CE2 4.06Å; F204-F206 AromaticContact CE1-CG 3.84Å; F204-F206 HydrophobicContact CE1-CG 3.84Å; F204-F206 AromaticContact CE1-CZ 3.88Å; F204-F206 HydrophobicContact CE1-CZ 3.88Å; F204-F206 HydrophobicContact CZ-CD1 4.43Å; F206-S209 VanDerWaalsContact O-CB 3.28Å; F206-S209 WeakPolarHBondContact O-CB 3.44Å; F206-S209 PolarHBondContact O-N 3.49Å; F206-S209 PolarHBondContact O-OG 3.22Å
207P97.2Very high95.1Very high49 Ų4946.6 Ų46.632%0.31823%0.231SC..THydrogen-bonded Turntrans-57.2147.2169.6-2233.6000111.8G175 P178 S209G175-P207 CarbonylContact O-C 3.27Å; G175-P207 WeakPolarHBondContact O-CA 3.28Å; P178-P207 HydrophobicContact CB-CG 4.03Å; P178-P207 HydrophobicContact CG-CG 4.48Å; P207-S209 PolarHBondContact O-N 3.18Å
208F95.5Very high94.9Very high160 Ų16051.1 Ų51.170%0.70225%0.252SS*.THydrogen-bonded Turntrans54.322.2178.3-51-68.1000114.4V174 G175 S176V174-F208 WeakPolarHBondContact O-CA 3.21Å; V174-F208 PolarHBondContact O-N 3.49Å; V174-F208 VanDerWaalsContact O-N 3.14Å; G175-F208 PolarHBondContact O-N 2.9Å; S176-F208 VanDerWaalsContact CA-CZ 3.45Å; S176-F208 VanDerWaalsContact CB-CZ 3.44Å
209S96.7Very high94.6Very high21 Ų2152.7 Ų52.715%0.14726%0.259CS..  trans-89.2148.2-179.664.20000111.1T173 V174 F206 P207 N211T173-S209 CarbonylContact C-O 3.59Å; T173-S209 VanDerWaalsContact CA-O 3.27Å; T173-S209 WeakPolarHBondContact CA-O 3.47Å; V174-S209 PolarHBondContact N-O 3.29Å; F206-S209 VanDerWaalsContact O-CB 3.28Å; F206-S209 WeakPolarHBondContact O-CB 3.44Å; F206-S209 PolarHBondContact O-N 3.49Å; F206-S209 PolarHBondContact O-OG 3.22Å; P207-S209 PolarHBondContact O-N 3.18Å; S209-N211 PolarHBondContact OG-ND2 3.4Å
210K95.8Very high94.2Very high133 Ų13354.1 Ų54.158%0.57827%0.269SS*.EExtended strand (participates in β ladder)trans-101.5127.9161-175.6177.3178.2-178.10108.3E171 T173E171-K210 WeakPolarHBondContact OE2-CE 3.23Å; E171-K210 IonicContact OE2-NZ 2.88Å; E171-K210 PolarHBondContact OE2-NZ 2.94Å; T173-K210 HydrophobicContact CG2-CB 4.24Å; T173-K210 HydrophobicContact CG2-CG 4.25Å
211N95.3Very high93.8Very high39 Ų3962.3 Ų62.321%0.20931%0.312CS..EExtended strand (participates in β ladder)trans-120.7145.6-174.1-59.1-83.4000110E171 F172 S209E171-N211 VanDerWaalsContact CA-O 3.29Å; E171-N211 WeakPolarHBondContact CA-O 3.39Å; F172-N211 HydrophobicContact CD1-CB 4.09Å; F172-N211 HydrophobicContact CD2-CB 4.31Å; F172-N211 HydrophobicContact CE1-CB 3.62Å; F172-N211 HydrophobicContact CE2-CB 3.87Å; F172-N211 HydrophobicContact CG-CB 4.41Å; F172-N211 HydrophobicContact CZ-CB 3.5Å; F172-N211 PolarHBondContact N-O 2.75Å; F172-N211 PolarHBondContact O-N 3.27Å; S209-N211 PolarHBondContact OG-ND2 3.4Å
212T95.4Very high93.6Very high74 Ų7459.5 Ų59.545%0.45430%0.3SS..EExtended strand (participates in β ladder)trans-132.4118.5172.2-530000108.9T169 V170 E171T169-T212 HydrophobicContact CG2-CG2 3.76Å; V170-T212 WeakPolarHBondContact O-CA 3.35Å; E171-T212 HydrophobicContact CG-CG2 3.92Å
213V94Very high93.6Very high11 Ų1160.9 Ų60.97%0.06731%0.312CS..EExtended strand (participates in β ladder)trans-122143.1177.466.60000109.6V3 T169 V170 F172 F202V3-V213 HydrophobicContact CB-CG2 4.28Å; V3-V213 HydrophobicContact CG2-CG2 3.77Å; T169-V213 CarbonylContact C-O 3.12Å; T169-V213 WeakPolarHBondContact CA-O 3.41Å; V170-V213 HydrophobicContact CB-CG1 4.08Å; V170-V213 PolarHBondContact N-O 3.28Å; V170-V213 PolarHBondContact O-N 3.22Å; F172-V213 HydrophobicContact CE1-CG1 4.3Å; F202-V213 HydrophobicContact CD1-CB 4.5Å; F202-V213 HydrophobicContact CD1-CG1 3.84Å; F202-V213 HydrophobicContact CE1-CG1 3.55Å
214E95.3Very high93.6Very high29 Ų2964.7 Ų64.714%0.13633%0.332CS..EExtended strand (participates in β ladder)trans-112.3117.3167.7-171.5177.8-140.200108.9M1 S2 V3 R102 A168 I216M1-E214 PolarHBondContact O-N 2.77Å; M1-E214 VanDerWaalsContact O-N 3.13Å; S2-E214 WeakPolarHBondContact CA-O 3.44Å; V3-E214 PolarHBondContact N-O 3.42Å; R102-E214 IonicContact CZ-OE1 2.83Å; R102-E214 IonicContact NE-OE1 3.2Å; R102-E214 PolarHBondContact NE-OE1 2.97Å; R102-E214 IonicContact NH2-OE1 3.27Å; R102-E214 PolarHBondContact NH2-OE1 2.91Å; R102-E214 IonicContact NH2-OE2 3.75Å; R102-E214 PolarHBondContact NH2-OE2 3.39Å; A168-E214 WeakPolarHBondContact O-CA 3.45Å; E214-I216 HydrophobicContact CG-CD1 3.96Å
215H93.3Very high93.6Very high0 Ų066.6 Ų66.60%035%0.347CS..EExtended strand (participates in β ladder)trans-89.1129.3171.3-63.6147.5000109.2A168 F200 F202 Y217A168-H215 PolarHBondContact N-O 3.29Å; A168-H215 PolarHBondContact O-N 3.2Å; F200-H215 HydrophobicContact CD1-CB 4.03Å; F200-H215 AromaticContact CD1-CD2 3.68Å; F200-H215 AromaticContact CD1-CG 3.85Å; F200-H215 HydrophobicContact CD2-CB 4.47Å; F200-H215 HydrophobicContact CE1-CB 3.68Å; F200-H215 HydrophobicContact CE2-CB 4.13Å; F200-H215 HydrophobicContact CG-CB 4.41Å; F200-H215 AromaticContact CG-CD2 3.8Å; F200-H215 AromaticContact CG-CG 3.9Å; F200-H215 HydrophobicContact CZ-CB 3.75Å; F202-H215 AromaticContact CE1-CE1 3.71Å; F202-H215 AromaticContact CE1-NE2 3.77Å; F202-H215 AromaticContact CE2-CE1 3.97Å; F202-H215 AromaticContact CZ-CE1 3.34Å; F202-H215 WeakPolarHBondContact CZ-CE1 3.23Å; F202-H215 AromaticContact CZ-NE2 3.67Å; H215-Y217 HydrophobicContact CB-CD2 4.14Å; H215-Y217 HydrophobicContact CB-CE2 3.56Å
216I93.5Very high93.6Very high25 Ų2566.7 Ų66.713%0.12835%0.347CS..EExtended strand (participates in β ladder)trans-97.8122.2174.3-53.2-55.6000108.6V3 L104 E214V3-I216 PolarHBondContact O-N 3.24Å; L104-I216 HydrophobicContact CD1-CD1 4.43Å; L104-I216 HydrophobicContact CD2-CD1 4.32Å; L104-I216 HydrophobicContact CD2-CG2 3.9Å; E214-I216 HydrophobicContact CG-CD1 3.96Å
217Y92.4Very high93.6Very high19 Ų1961.3 Ų61.38%0.07533%0.326CS..EExtended strand (participates in β ladder)trans-104.4122.4179.2-71.2-106.9000109.2T165 V166 A168 E186 F198 F200 H215T165-Y217 VanDerWaalsContact CA-O 3.25Å; T165-Y217 WeakPolarHBondContact CA-O 3.41Å; V166-Y217 HydrophobicContact CG2-CD2 4.5Å; V166-Y217 HydrophobicContact CG2-CG 4.28Å; V166-Y217 PolarHBondContact N-O 3.06Å; V166-Y217 PolarHBondContact O-N 2.81Å; A168-Y217 HydrophobicContact CB-CD2 4.03Å; A168-Y217 HydrophobicContact CB-CE2 3.58Å; E186-Y217 VanDerWaalsContact OE1-CE1 3.26Å; E186-Y217 WeakPolarHBondContact OE1-CE1 3.34Å; E186-Y217 PolarHBondContact OE1-OH 3.32Å; F198-Y217 HydrophobicContact CB-CE1 4.25Å; F198-Y217 AromaticContact CD1-CD1 3.69Å; F198-Y217 HydrophobicContact CD1-CD1 3.69Å; F198-Y217 HydrophobicContact CD1-CE1 4.15Å; F198-Y217 HydrophobicContact CD1-CG 4.47Å; F198-Y217 AromaticContact CD2-CD1 3.7Å; F198-Y217 HydrophobicContact CD2-CD1 3.7Å; F198-Y217 AromaticContact CD2-CE1 3.67Å; F198-Y217 HydrophobicContact CD2-CE1 3.67Å; F198-Y217 AromaticContact CE1-CD1 3.57Å; F198-Y217 HydrophobicContact CE1-CD1 3.57Å; F198-Y217 HydrophobicContact CE1-CE1 4.41Å; F198-Y217 HydrophobicContact CE1-CG 4.22Å; F198-Y217 AromaticContact CE2-CD1 3.58Å; F198-Y217 HydrophobicContact CE2-CD1 3.58Å; F198-Y217 AromaticContact CE2-CE1 3.96Å; F198-Y217 HydrophobicContact CE2-CE1 3.96Å; F198-Y217 AromaticContact CG-CD1 3.75Å; F198-Y217 HydrophobicContact CG-CD1 3.75Å; F198-Y217 AromaticContact CG-CE1 3.76Å; F198-Y217 HydrophobicContact CG-CE1 3.76Å; F198-Y217 AromaticContact CZ-CD1 3.49Å; F198-Y217 HydrophobicContact CZ-CD1 3.49Å; F198-Y217 VanDerWaalsContact CZ-CD1 3.49Å; F198-Y217 HydrophobicContact CZ-CE1 4.31Å; F198-Y217 HydrophobicContact CZ-CG 4.37Å; F200-Y217 HydrophobicContact CE2-CD1 4.44Å; F200-Y217 AromaticContact CE2-CE1 3.79Å; F200-Y217 HydrophobicContact CE2-CE1 3.79Å; F200-Y217 AromaticContact CE2-CE2 3.97Å; F200-Y217 HydrophobicContact CE2-CE2 3.97Å; F200-Y217 AromaticContact CE2-CZ 3.53Å; F200-Y217 HydrophobicContact CZ-CD1 4.31Å; F200-Y217 HydrophobicContact CZ-CD2 4.13Å; F200-Y217 HydrophobicContact CZ-CE1 4.08Å; F200-Y217 AromaticContact CZ-CE2 3.88Å; F200-Y217 HydrophobicContact CZ-CE2 3.88Å; F200-Y217 HydrophobicContact CZ-CG 4.33Å; F200-Y217 AromaticContact CZ-CZ 3.88Å; H215-Y217 HydrophobicContact CB-CD2 4.14Å; H215-Y217 HydrophobicContact CB-CE2 3.56Å
218E92Very high93.5Very high97 Ų9761.7 Ų61.745%0.45333%0.333SS..EExtended strand (participates in β ladder)trans-96.2115.2170.1-63.5-175.9-172.900109.6T165 K196T165-E218 HydrophobicContact CG2-CG 4.12Å; K196-E218 WeakPolarHBondContact CE-O 3.24Å; K196-E218 PolarHBondContact NZ-O 2.84Å
219F88.7Confident93.6Very high46 Ų4658 Ų5820%0.20232%0.318CS..  trans-70.6139.9-176.8-78.410.2000110.8F160 L163 K164 V166F160-F219 AromaticContact CD1-CE2 3.87Å; F160-F219 HydrophobicContact CD1-CE2 3.87Å; F160-F219 HydrophobicContact CD1-CZ 4.18Å; F160-F219 AromaticContact CE1-CE2 3.56Å; F160-F219 HydrophobicContact CE1-CE2 3.56Å; F160-F219 AromaticContact CE1-CZ 3.4Å; F160-F219 HydrophobicContact CE1-CZ 3.4Å; F160-F219 VanDerWaalsContact CE1-CZ 3.4Å; F160-F219 HydrophobicContact CE2-CZ 4.34Å; F160-F219 HydrophobicContact CZ-CE2 4.01Å; F160-F219 AromaticContact CZ-CZ 3.51Å; F160-F219 HydrophobicContact CZ-CZ 3.51Å; F160-F219 WeakPolarHBondContact O-CE2 3.36Å; L163-F219 HydrophobicContact CB-CD2 4.25Å; L163-F219 HydrophobicContact CB-CE2 4.19Å; L163-F219 WeakPolarHBondContact O-CB 3.45Å; L163-F219 VanDerWaalsContact O-CD2 3.23Å; L163-F219 WeakPolarHBondContact O-CD2 3.1Å; K164-F219 PolarHBondContact O-N 3.06Å; V166-F219 HydrophobicContact CB-CZ 4.46Å; V166-F219 HydrophobicContact CG1-CE1 4.27Å; V166-F219 HydrophobicContact CG1-CE2 4.3Å; V166-F219 HydrophobicContact CG1-CZ 3.84Å; V166-F219 HydrophobicContact CG2-CD1 4.41Å; V166-F219 HydrophobicContact CG2-CE1 3.46Å; V166-F219 VanDerWaalsContact CG2-CE1 3.46Å; V166-F219 HydrophobicContact CG2-CZ 3.71Å
220P86.7Confident93.6Very high39 Ų3957.1 Ų57.125%0.25331%0.311SS..  trans-65.1148.8172.928.7-33.9000110.6K196 L222K196-P220 HydrophobicContact CB-CG 4.48Å; K196-P220 HydrophobicContact CD-CB 4.29Å; K196-P220 HydrophobicContact CD-CG 4.44Å; P220-L222 HydrophobicContact CB-CD2 3.97Å; P220-L222 HydrophobicContact CG-CD2 3.64Å; P220-L222 HydrophobicContact CG-CG 4.04Å; P220-L222 PolarHBondContact O-N 2.84Å; P220-L222 VanDerWaalsContact O-N 3.1Å
221N87.1Confident93.6Very high171 Ų17152.5 Ų52.591%0.91429%0.293SS*.  trans-72.9102.9166-68.3-42.4000108.6
222L91.4Very high93.7Very high40 Ų4054.9 Ų54.921%0.20931%0.312CS..  trans-91138.7179.3-59.6-178.5000110.6L195 P220 L226 V227 M230L195-L222 HydrophobicContact CD2-CD2 4.23Å; P220-L222 HydrophobicContact CB-CD2 3.97Å; P220-L222 HydrophobicContact CG-CD2 3.64Å; P220-L222 HydrophobicContact CG-CG 4.04Å; P220-L222 PolarHBondContact O-N 2.84Å; P220-L222 VanDerWaalsContact O-N 3.1Å; L222-L226 HydrophobicContact CB-CD2 4.29Å; L222-L226 HydrophobicContact CD2-CD2 3.91Å; L222-L226 HydrophobicContact CG-CD2 4.47Å; L222-V227 HydrophobicContact CB-CG2 3.68Å; L222-V227 HydrophobicContact CD1-CG2 4.44Å; L222-M230 HydrophobicContact CD1-CE 4.1Å; L222-M230 HydrophobicContact CD1-SD 3.76Å
223P93.6Very high93.8Very high58 Ų5852 Ų5238%0.37730%0.295SS..  trans-59.7144.8172.5-22.633.1000111.6D225 L226 V227P223-D225 VanDerWaalsContact C-N 3.28Å; P223-D225 PolarHBondContact O-N 3.28Å; P223-L226 HydrophobicContact CB-CB 4.42Å; P223-L226 WeakPolarHBondContact O-CB 3.37Å; P223-L226 PolarHBondContact O-N 3.19Å; P223-V227 PolarHBondContact O-N 3.5Å
224P94.2Very high93.9Very high105 Ų10553.9 Ų53.968%0.68231%0.307SS*.Hα-helixtrans-55-39.8-179.6-27.735.3000114.1L226 V227 A228P224-L226 VanDerWaalsContact C-N 3.31Å; P224-L226 PolarHBondContact O-N 2.69Å; P224-V227 PolarHBondContact O-N 2.81Å; P224-A228 PolarHBondContact O-N 2.98Å
225D96Very high94Very high140 Ų14055.2 Ų55.275%0.74931%0.313SS*.Hα-helixtrans-63.3-39178.8-60.9-20.5000111.7P223 A228 E229P223-D225 VanDerWaalsContact C-N 3.28Å; P223-D225 PolarHBondContact O-N 3.28Å; D225-A228 PolarHBondContact O-N 3.45Å; D225-E229 WeakPolarHBondContact O-CB 3.23Å; D225-E229 PolarHBondContact O-N 2.96Å
226L95.5Very high94.2Very high8 Ų858.3 Ų58.34%0.04233%0.327CS..Hα-helixtrans-68.7-40.8176.3-17969.3000111.2F190 L195 L222 P223 P224 A228 E229 M230F190-L226 HydrophobicContact CD1-CD1 3.64Å; F190-L226 HydrophobicContact CE1-CD1 3.98Å; L195-L226 HydrophobicContact CD2-CD2 3.99Å; L222-L226 HydrophobicContact CB-CD2 4.29Å; L222-L226 HydrophobicContact CD2-CD2 3.91Å; L222-L226 HydrophobicContact CG-CD2 4.47Å; P223-L226 HydrophobicContact CB-CB 4.42Å; P223-L226 WeakPolarHBondContact O-CB 3.37Å; P223-L226 PolarHBondContact O-N 3.19Å; P224-L226 VanDerWaalsContact C-N 3.31Å; P224-L226 PolarHBondContact O-N 2.69Å; L226-A228 VanDerWaalsContact C-N 3.33Å; L226-E229 PolarHBondContact O-N 2.9Å; L226-M230 HydrophobicContact CD1-CG 4.47Å; L226-M230 HydrophobicContact CD2-SD 4.34Å; L226-M230 HydrophobicContact CG-CG 4.39Å; L226-M230 HydrophobicContact CG-SD 3.97Å; L226-M230 WeakPolarHBondContact O-CB 3.31Å; L226-M230 VanDerWaalsContact O-CG 3.27Å; L226-M230 WeakPolarHBondContact O-CG 3.27Å; L226-M230 PolarHBondContact O-N 3.39Å
227V95.6Very high94.4Very high24 Ų2457.1 Ų57.115%0.14532%0.321CS..Hα-helixtrans-59.9-46.5175.7170.70000110.2L161 L222 P223 P224 E229 M230 I231L161-V227 HydrophobicContact CB-CG1 4.23Å; L161-V227 HydrophobicContact CD1-CG1 3.89Å; L222-V227 HydrophobicContact CB-CG2 3.68Å; L222-V227 HydrophobicContact CD1-CG2 4.44Å; P223-V227 PolarHBondContact O-N 3.5Å; P224-V227 PolarHBondContact O-N 2.81Å; V227-E229 VanDerWaalsContact C-N 3.32Å; V227-E229 PolarHBondContact O-N 2.99Å; V227-M230 PolarHBondContact O-N 3.39Å; V227-I231 HydrophobicContact CG1-CD1 3.81Å; V227-I231 WeakPolarHBondContact O-CD1 2.93Å; V227-I231 VanDerWaalsContact O-CG1 3.26Å; V227-I231 WeakPolarHBondContact O-CG1 3.05Å; V227-I231 PolarHBondContact O-N 3.02Å
228A96.2Very high94.7Very high56 Ų5661.8 Ų61.846%0.46334%0.339SS..Hα-helixtrans-60-43.5176.200000111.7P224 D225 L226 I231 S232P224-A228 PolarHBondContact O-N 2.98Å; D225-A228 PolarHBondContact O-N 3.45Å; L226-A228 VanDerWaalsContact C-N 3.33Å; A228-I231 PolarHBondContact O-N 2.85Å; A228-S232 WeakPolarHBondContact O-CB 3.28Å; A228-S232 PolarHBondContact O-N 2.86Å; A228-S232 PolarHBondContact O-OG 2.81Å
229E96.8Very high94.9Very high83 Ų8357.2 Ų57.239%0.38832%0.318SS..Hα-helixtrans-61.7-47.9177.4-159.9-180-170.900111.7F190 R191 D225 L226 V227 I231 S232 S233F190-E229 HydrophobicContact CE1-CB 4.23Å; F190-E229 HydrophobicContact CE1-CG 3.86Å; F190-E229 HydrophobicContact CZ-CB 4.29Å; F190-E229 HydrophobicContact CZ-CG 3.85Å; R191-E229 IonicContact CZ-OE1 2.85Å; R191-E229 VanDerWaalsContact NH1-CD 3.25Å; R191-E229 IonicContact NH1-OE1 2.8Å; R191-E229 PolarHBondContact NH1-OE1 3.14Å; R191-E229 IonicContact NH1-OE2 3.77Å; R191-E229 IonicContact NH2-OE1 3.87Å; D225-E229 WeakPolarHBondContact O-CB 3.23Å; D225-E229 PolarHBondContact O-N 2.96Å; L226-E229 PolarHBondContact O-N 2.9Å; V227-E229 VanDerWaalsContact C-N 3.32Å; V227-E229 PolarHBondContact O-N 2.99Å; E229-I231 VanDerWaalsContact C-N 3.3Å; E229-I231 PolarHBondContact O-N 3.44Å; E229-S232 WeakPolarHBondContact CA-OG 3.38Å; E229-S232 CarbonylContact O-C 3.52Å; E229-S232 PolarHBondContact O-N 3.02Å; E229-S232 VanDerWaalsContact O-N 3.09Å; E229-S232 PolarHBondContact O-OG 3.49Å; E229-S233 WeakPolarHBondContact O-CB 3.27Å; E229-S233 PolarHBondContact O-N 3.03Å; E229-S233 PolarHBondContact O-OG 2.88Å
230M96.9Very high95.4Very high2 Ų255 Ų551%0.0131%0.308CS..Hα-helixtrans-60.4-36.6177-72.3171.163.500112.9L161 F190 L195 L222 L226 V227 T237 Y259L161-M230 HydrophobicContact CD1-CB 4.36Å; L161-M230 HydrophobicContact CD2-CE 3.84Å; F190-M230 HydrophobicContact CB-CG 4.39Å; F190-M230 HydrophobicContact CD1-CG 4.04Å; F190-M230 HydrophobicContact CD2-CG 3.71Å; F190-M230 HydrophobicContact CE1-CG 4.17Å; F190-M230 HydrophobicContact CE2-CB 4.37Å; F190-M230 HydrophobicContact CE2-CG 3.85Å; F190-M230 HydrophobicContact CG-CG 3.79Å; F190-M230 HydrophobicContact CZ-CG 4.08Å; L195-M230 HydrophobicContact CD1-CE 3.72Å; L195-M230 HydrophobicContact CD1-SD 4.16Å; L195-M230 HydrophobicContact CD2-SD 4.39Å; L222-M230 HydrophobicContact CD1-CE 4.1Å; L222-M230 HydrophobicContact CD1-SD 3.76Å; L226-M230 HydrophobicContact CD1-CG 4.47Å; L226-M230 HydrophobicContact CD2-SD 4.34Å; L226-M230 HydrophobicContact CG-CG 4.39Å; L226-M230 HydrophobicContact CG-SD 3.97Å; L226-M230 WeakPolarHBondContact O-CB 3.31Å; L226-M230 VanDerWaalsContact O-CG 3.27Å; L226-M230 WeakPolarHBondContact O-CG 3.27Å; L226-M230 PolarHBondContact O-N 3.39Å; V227-M230 PolarHBondContact O-N 3.39Å; M230-T237 HydrophobicContact CE-CG2 4.16Å; M230-Y259 HydrophobicContact CB-CD2 4.21Å; M230-Y259 HydrophobicContact CE-CD2 4.22Å; M230-Y259 HydrophobicContact CE-CE2 3.54Å
231I96.5Very high95.9Very high37 Ų3753.6 Ų53.619%0.1930%0.299CS..Hα-helixtrans-68.3-40.9174.4-66.6160.2000110.5P158 L161 V227 A228 E229 S233 D260P158-I231 HydrophobicContact CB-CD1 3.85Å; P158-I231 HydrophobicContact CB-CG1 4.28Å; P158-I231 HydrophobicContact CG-CD1 4.47Å; P158-I231 HydrophobicContact CG-CG2 4.27Å; L161-I231 HydrophobicContact CD1-CD1 4.31Å; L161-I231 HydrophobicContact CD1-CG1 3.86Å; V227-I231 HydrophobicContact CG1-CD1 3.81Å; V227-I231 WeakPolarHBondContact O-CD1 2.93Å; V227-I231 VanDerWaalsContact O-CG1 3.26Å; V227-I231 WeakPolarHBondContact O-CG1 3.05Å; V227-I231 PolarHBondContact O-N 3.02Å; A228-I231 PolarHBondContact O-N 2.85Å; E229-I231 VanDerWaalsContact C-N 3.3Å; E229-I231 PolarHBondContact O-N 3.44Å; I231-S233 VanDerWaalsContact C-N 3.29Å; I231-S233 PolarHBondContact O-N 3.28Å; I231-D260 HydrophobicContact CG2-CB 4.48Å
232S96.9Very high96.4Very high88 Ų8845.5 Ų45.562%0.61526%0.255SS*.Hα-helixtrans-78.5-7.8-178.870.30000115A228 E229 P234A228-S232 WeakPolarHBondContact O-CB 3.28Å; A228-S232 PolarHBondContact O-N 2.86Å; A228-S232 PolarHBondContact O-OG 2.81Å; E229-S232 WeakPolarHBondContact CA-OG 3.38Å; E229-S232 CarbonylContact O-C 3.52Å; E229-S232 PolarHBondContact O-N 3.02Å; E229-S232 VanDerWaalsContact O-N 3.09Å; E229-S232 PolarHBondContact O-OG 3.49Å; S232-P234 WeakPolarHBondContact O-CD 3.48Å
233S97Very high96.7Very high14 Ų1444.5 Ų44.510%0.09825%0.249CC..SBendtrans-125.370.3-175.2-60.90000110.5R191 E229 I231 E236R191-S233 PolarHBondContact NH2-OG 2.81Å; R191-S233 VanDerWaalsContact NH2-OG 3.08Å; E229-S233 WeakPolarHBondContact O-CB 3.27Å; E229-S233 PolarHBondContact O-N 3.03Å; E229-S233 PolarHBondContact O-OG 2.88Å; I231-S233 VanDerWaalsContact C-N 3.29Å; I231-S233 PolarHBondContact O-N 3.28Å; S233-E236 WeakPolarHBondContact O-CB 3.1Å; S233-E236 PolarHBondContact O-N 2.94Å
234P96.5Very high96.9Very high50 Ų5041.8 Ų41.833%0.32523%0.231SC..THydrogen-bonded Turntrans-58.2141-17825.3-34.7000111.5S232 E236 A258S232-P234 WeakPolarHBondContact O-CD 3.48Å; P234-E236 PolarHBondContact O-N 3.29Å; P234-E236 VanDerWaalsContact O-N 3.13Å; P234-A258 HydrophobicContact CB-CB 3.67Å
235F96.1Very high97Very high58 Ų5837.3 Ų37.325%0.25420%0.202SC..THydrogen-bonded Turntrans65.18.3178.3-46.6-56.1000115.8R153 R238 D256 Y257 A258R153-F235 HydrophobicContact CG-CD1 4.01Å; R153-F235 HydrophobicContact CG-CE1 3.42Å; R153-F235 VanDerWaalsContact CG-CE1 3.42Å; R153-F235 HydrophobicContact CG-CZ 4.09Å; F235-R238 PolarHBondContact O-NE 2.82Å; F235-R238 VanDerWaalsContact O-NE 3.15Å; F235-D256 HydrophobicContact CB-CB 4.21Å; F235-D256 WeakPolarHBondContact CB-OD2 3.42Å; F235-D256 HydrophobicContact CD1-CB 4.29Å; F235-D256 WeakPolarHBondContact CD1-OD2 3.31Å; F235-Y257 WeakPolarHBondContact CA-O 3.32Å; F235-Y257 PolarHBondContact N-O 3.26Å; F235-A258 HydrophobicContact CD1-CB 3.98Å; F235-A258 HydrophobicContact CE1-CB 3.53Å; F235-A258 HydrophobicContact CE2-CB 4.45Å; F235-A258 HydrophobicContact CZ-CB 3.81Å
236E97.8Very high96.9Very high65 Ų6532.7 Ų32.730%0.30419%0.188SC..  trans-89.1-14.4170.4-64.5-163.3-138.300113.1F190 R191 S233 P234F190-E236 HydrophobicContact CD2-CB 4.2Å; F190-E236 HydrophobicContact CE2-CB 3.77Å; R191-E236 HydrophobicContact CG-CB 4.49Å; R191-E236 WeakPolarHBondContact CG-OE2 3.46Å; R191-E236 IonicContact CZ-OE2 2.74Å; R191-E236 PolarHBondContact N-O 2.88Å; R191-E236 IonicContact NE-OE2 3.97Å; R191-E236 PolarHBondContact NE-OE2 2.82Å; R191-E236 IonicContact NH2-OE1 3.67Å; R191-E236 IonicContact NH2-OE2 3.88Å; R191-E236 PolarHBondContact NH2-OE2 3.44Å; S233-E236 WeakPolarHBondContact O-CB 3.1Å; S233-E236 PolarHBondContact O-N 2.94Å; P234-E236 PolarHBondContact O-N 3.29Å; P234-E236 VanDerWaalsContact O-N 3.13Å
237T98Very high96.8Very high0 Ų037 Ų370%021%0.211CC..EExtended strand (participates in β ladder)trans-85.5127.1161.7-55.10000108.4F189 F190 L195 M230 D256 Y257 Y259F189-T237 CarbonylContact O-C 3.44Å; F189-T237 VanDerWaalsContact O-CA 3.28Å; F189-T237 WeakPolarHBondContact O-CA 3.46Å; F190-T237 VanDerWaalsContact CD2-OG1 3.29Å; F190-T237 WeakPolarHBondContact CD2-OG1 3.45Å; L195-T237 HydrophobicContact CD1-CG2 3.91Å; M230-T237 HydrophobicContact CE-CG2 4.16Å; T237-D256 WeakPolarHBondContact O-CA 3.48Å; T237-Y257 HydrophobicContact CG2-CD2 3.96Å; T237-Y257 HydrophobicContact CG2-CG 4.41Å; T237-Y257 WeakPolarHBondContact O-CD2 3.16Å; T237-Y257 PolarHBondContact O-N 3.5Å; T237-Y259 HydrophobicContact CG2-CE2 4.02Å; T237-Y259 WeakPolarHBondContact CG2-OH 3.3Å
238R98.2Very high96.8Very high117 Ų11741.3 Ų41.344%0.44222%0.224SC..EExtended strand (participates in β ladder)trans-141155.3-175.8-56.6-177.6-160.6160.78.9110.8I79 F189 F235 A255 D256I79-R238 HydrophobicContact CD1-CB 3.83Å; I79-R238 HydrophobicContact CG1-CB 4.04Å; F189-R238 PolarHBondContact N-O 3.31Å; F189-R238 PolarHBondContact O-N 2.98Å; F235-R238 PolarHBondContact O-NE 2.82Å; F235-R238 VanDerWaalsContact O-NE 3.15Å; R238-A255 CarbonylContact C-O 3.5Å; R238-A255 WeakPolarHBondContact CA-O 3.36Å; R238-D256 HydrophobicContact CG-CB 4.05Å
239S97.5Very high96.9Very high1 Ų138.8 Ų38.81%0.00720%0.203CC..EExtended strand (participates in β ladder)trans-135.7147.7172.467.90000113.1I79 R187 K254 A255 Y257I79-S239 VanDerWaalsContact CD1-C 3.47Å; R187-S239 WeakPolarHBondContact O-CA 3.2Å; R187-S239 WeakPolarHBondContact O-CB 2.94Å; S239-K254 WeakPolarHBondContact O-CA 3.38Å; S239-A255 PolarHBondContact N-O 3.42Å; S239-A255 PolarHBondContact O-N 2.85Å; S239-Y257 WeakPolarHBondContact OG-CE2 3.47Å; S239-Y257 PolarHBondContact OG-OH 2.85Å
240D98.2Very high96.8Very high0 Ų034.9 Ų34.90%019%0.185CC..EExtended strand (participates in β ladder)trans-108.3129.2164.3-69.2-45.3000108.9I79 T80 E186 R187 F242 H252 K254I79-D240 HydrophobicContact CD1-CB 4.18Å; I79-D240 VanDerWaalsContact CD1-OD2 3.23Å; I79-D240 WeakPolarHBondContact CD1-OD2 3.43Å; T80-D240 WeakPolarHBondContact CB-OD2 3.25Å; T80-D240 PolarHBondContact N-OD2 2.91Å; T80-D240 PolarHBondContact OG1-OD1 3.25Å; T80-D240 PolarHBondContact OG1-OD2 3.15Å; E186-D240 CarbonylContact C-O 3.6Å; E186-D240 VanDerWaalsContact CA-O 3.31Å; E186-D240 WeakPolarHBondContact CA-O 3.25Å; R187-D240 PolarHBondContact N-O 2.8Å; R187-D240 PolarHBondContact O-N 3.03Å; R187-D240 VanDerWaalsContact O-N 3.08Å; D240-F242 HydrophobicContact CB-CD2 4.32Å; D240-F242 HydrophobicContact CB-CE1 4.09Å; D240-F242 HydrophobicContact CB-CE2 3.46Å; D240-F242 VanDerWaalsContact CB-CE2 3.46Å; D240-F242 HydrophobicContact CB-CZ 3.32Å; D240-H252 IonicContact OD1-CE1 3.08Å; D240-H252 IonicContact OD1-NE2 2.72Å; D240-H252 PolarHBondContact OD1-NE2 3.09Å; D240-H252 VanDerWaalsContact OD1-NE2 3.08Å; D240-K254 WeakPolarHBondContact OD1-CG 3.17Å; D240-K254 IonicContact OD1-NZ 2.54Å; D240-K254 PolarHBondContact OD1-NZ 2.89Å
241S97.1Very high96.7Very high9 Ų935.5 Ų35.56%0.06319%0.188CC..EExtended strand (participates in β ladder)trans-113.4111.4175-45.40000109.1E186 H252 N253E186-S241 WeakPolarHBondContact CG-OG 3.25Å; E186-S241 PolarHBondContact OE2-OG 3.24Å; S241-H252 WeakPolarHBondContact O-CA 3.43Å; S241-N253 PolarHBondContact N-O 3.18Å; S241-N253 PolarHBondContact O-N 3.14Å
242F98Very high96.8Very high0 Ų033.8 Ų33.80%018%0.179CC..EExtended strand (participates in β ladder)trans-104.3124.9-176.4-54-79.3000110.5V73 L76 T80 L84 M184 I185 R187 D240 F244 L249 H252V73-F242 HydrophobicContact CB-CD2 3.82Å; V73-F242 HydrophobicContact CB-CE2 3.93Å; V73-F242 HydrophobicContact CB-CG 4.16Å; V73-F242 HydrophobicContact CB-CZ 4.35Å; V73-F242 HydrophobicContact CG1-CD1 3.88Å; V73-F242 HydrophobicContact CG1-CD2 4.01Å; V73-F242 HydrophobicContact CG1-CE1 4.02Å; V73-F242 HydrophobicContact CG1-CE2 4.14Å; V73-F242 HydrophobicContact CG1-CG 3.87Å; V73-F242 HydrophobicContact CG1-CZ 4.14Å; V73-F242 HydrophobicContact CG2-CD2 4.11Å; V73-F242 HydrophobicContact CG2-CG 4.36Å; L76-F242 HydrophobicContact CD1-CE2 4.03Å; L76-F242 HydrophobicContact CD1-CZ 3.65Å; T80-F242 HydrophobicContact CG2-CZ 4.16Å; L84-F242 HydrophobicContact CD1-CD1 4.41Å; L84-F242 HydrophobicContact CD1-CE1 3.65Å; L84-F242 HydrophobicContact CD1-CZ 4.28Å; L84-F242 HydrophobicContact CG-CE1 4.15Å; M184-F242 CarbonylContact C-O 3.57Å; M184-F242 VanDerWaalsContact CA-O 3.28Å; M184-F242 WeakPolarHBondContact CA-O 3.4Å; I185-F242 PolarHBondContact N-O 3.15Å; I185-F242 WeakPolarHBondContact O-CD2 3.4Å; I185-F242 PolarHBondContact O-N 2.74Å; R187-F242 HydrophobicContact CG-CE2 4.46Å; D240-F242 HydrophobicContact CB-CD2 4.32Å; D240-F242 HydrophobicContact CB-CE1 4.09Å; D240-F242 HydrophobicContact CB-CE2 3.46Å; D240-F242 VanDerWaalsContact CB-CE2 3.46Å; D240-F242 HydrophobicContact CB-CZ 3.32Å; F242-F244 HydrophobicContact CB-CD2 4.34Å; F242-F244 HydrophobicContact CB-CE2 3.51Å; F242-F244 HydrophobicContact CB-CZ 4.05Å; F242-L249 HydrophobicContact CB-CD1 3.85Å; F242-L249 HydrophobicContact CD1-CD1 4.14Å; F242-L249 HydrophobicContact CG-CD1 4.49Å; F242-H252 HydrophobicContact CD1-CB 4.27Å; F242-H252 AromaticContact CD1-CD2 3.7Å; F242-H252 AromaticContact CD1-CG 3.81Å; F242-H252 AromaticContact CE1-CD2 3.56Å; F242-H252 AromaticContact CE1-CE1 3.58Å; F242-H252 AromaticContact CE1-CG 3.82Å; F242-H252 AromaticContact CE1-ND1 3.81Å; F242-H252 AromaticContact CE1-NE2 3.43Å; F242-H252 WeakPolarHBondContact CE1-NE2 3.43Å; F242-H252 AromaticContact CZ-NE2 3.95Å
243Y97.4Very high96.7Very high20 Ų2031.2 Ų31.28%0.07816%0.159CC..EExtended strand (participates in β ladder)trans-108.3124.8-179.8-66-91.6000110.8F96 F182 R183 M184 F202 V250 M251F96-Y243 HydrophobicContact CE1-CE1 4.26Å; F96-Y243 HydrophobicContact CE2-CE1 4.08Å; F96-Y243 HydrophobicContact CE2-CE2 4.35Å; F96-Y243 AromaticContact CE2-CZ 3.93Å; F96-Y243 HydrophobicContact CZ-CD1 4.04Å; F96-Y243 AromaticContact CZ-CE1 3.4Å; F96-Y243 HydrophobicContact CZ-CE1 3.4Å; F96-Y243 VanDerWaalsContact CZ-CE1 3.4Å; F96-Y243 HydrophobicContact CZ-CE2 4.45Å; F96-Y243 AromaticContact CZ-CZ 3.63Å; F182-Y243 AromaticContact CE2-CD1 3.82Å; F182-Y243 HydrophobicContact CE2-CD1 3.82Å; F182-Y243 HydrophobicContact CE2-CG 4.37Å; F182-Y243 AromaticContact CZ-CD1 3.58Å; F182-Y243 HydrophobicContact CZ-CD1 3.58Å; F182-Y243 HydrophobicContact CZ-CE1 4.25Å; F182-Y243 HydrophobicContact CZ-CG 4.45Å; R183-Y243 CarbonylContact O-C 3.51Å; R183-Y243 WeakPolarHBondContact O-CA 3.38Å; M184-Y243 HydrophobicContact CB-CD1 3.89Å; M184-Y243 HydrophobicContact CB-CE1 3.84Å; M184-Y243 HydrophobicContact CG-CD1 4.07Å; M184-Y243 HydrophobicContact CG-CE1 3.73Å; M184-Y243 HydrophobicContact CG-CE2 4.46Å; M184-Y243 HydrophobicContact SD-CD1 4.41Å; M184-Y243 HydrophobicContact SD-CE1 3.49Å; M184-Y243 WeakPolarHBondContact SD-CE1 3.47Å; M184-Y243 HydrophobicContact SD-CE2 4.33Å; M184-Y243 PolarHBondContact SD-OH 2.78Å; F202-Y243 HydrophobicContact CZ-CE1 4.23Å; Y243-V250 VanDerWaalsContact O-CG2 3.31Å; Y243-V250 WeakPolarHBondContact O-CG2 3.36Å; Y243-V250 PolarHBondContact O-N 3.15Å; Y243-M251 HydrophobicContact CD1-CE 4.06Å; Y243-M251 HydrophobicContact CD2-CB 3.89Å; Y243-M251 HydrophobicContact CD2-CE 4.16Å; Y243-M251 HydrophobicContact CG-CB 4.24Å; Y243-M251 HydrophobicContact CG-CE 3.75Å; Y243-M251 PolarHBondContact N-O 3.24Å; Y243-M251 PolarHBondContact O-N 2.98Å
244F97.8Very high96.7Very high1 Ų131.8 Ų31.80%0.00416%0.159CC..EExtended strand (participates in β ladder)trans-116.2137.1-178.3-63.3-91.2000111.3V68 P70 V73 F182 R183 I185 F242 R248 L249V68-F244 WeakPolarHBondContact O-CE1 3.24Å; P70-F244 HydrophobicContact CG-CB 4.5Å; P70-F244 HydrophobicContact CG-CD1 3.75Å; P70-F244 HydrophobicContact CG-CD2 4.26Å; P70-F244 HydrophobicContact CG-CE1 3.97Å; P70-F244 HydrophobicContact CG-CE2 4.44Å; P70-F244 HydrophobicContact CG-CG 3.92Å; P70-F244 HydrophobicContact CG-CZ 4.31Å; V73-F244 HydrophobicContact CG1-CZ 3.99Å; V73-F244 HydrophobicContact CG2-CE2 3.79Å; V73-F244 HydrophobicContact CG2-CZ 3.68Å; F182-F244 WeakPolarHBondContact CA-O 3.39Å; F182-F244 WeakPolarHBondContact CD2-O 3.08Å; R183-F244 PolarHBondContact N-O 2.7Å; R183-F244 PolarHBondContact O-N 3.16Å; I185-F244 HydrophobicContact CD1-CD2 4.37Å; I185-F244 HydrophobicContact CD1-CE2 3.99Å; I185-F244 HydrophobicContact CG1-CE2 4.46Å; F242-F244 HydrophobicContact CB-CD2 4.34Å; F242-F244 HydrophobicContact CB-CE2 3.51Å; F242-F244 HydrophobicContact CB-CZ 4.05Å; F244-R248 VanDerWaalsContact CA-O 3.24Å; F244-R248 WeakPolarHBondContact CA-O 3.31Å; F244-L249 HydrophobicContact CD1-CB 4.16Å; F244-L249 HydrophobicContact CE1-CB 3.82Å; F244-L249 HydrophobicContact CE1-CD1 4.08Å; F244-L249 HydrophobicContact CE2-CD1 4.31Å; F244-L249 HydrophobicContact CZ-CB 4.5Å; F244-L249 HydrophobicContact CZ-CD1 3.97Å
245V96.8Very high96.6Very high10 Ų1029.7 Ų29.76%0.06115%0.146CC..EExtended strand (participates in β ladder)trans-121.2118.2166.8179.30000107.1F92 I94 L179 F182 N247 R248 V250F92-V245 HydrophobicContact CD2-CB 4.29Å; F92-V245 HydrophobicContact CD2-CG1 4.38Å; F92-V245 HydrophobicContact CD2-CG2 4.14Å; F92-V245 HydrophobicContact CE1-CG1 3.97Å; F92-V245 HydrophobicContact CE2-CB 3.82Å; F92-V245 HydrophobicContact CE2-CG1 3.8Å; F92-V245 HydrophobicContact CE2-CG2 4.18Å; F92-V245 HydrophobicContact CZ-CB 4.12Å; F92-V245 HydrophobicContact CZ-CG1 3.57Å; I94-V245 HydrophobicContact CD1-CG2 4.22Å; L179-V245 HydrophobicContact CB-CG1 4.43Å; L179-V245 HydrophobicContact CB-CG2 4.48Å; L179-V245 HydrophobicContact CD2-CG2 4.11Å; F182-V245 HydrophobicContact CD2-CG2 3.72Å; F182-V245 HydrophobicContact CE2-CG2 4.29Å; V245-N247 VanDerWaalsContact C-N 3.27Å; V245-N247 PolarHBondContact O-N 3.14Å; V245-R248 PolarHBondContact N-O 3.14Å; V245-R248 PolarHBondContact O-N 3.28Å; V245-R248 VanDerWaalsContact O-N 3.07Å; V245-V250 HydrophobicContact CB-CG1 4.06Å; V245-V250 HydrophobicContact CB-CG2 4.48Å; V245-V250 HydrophobicContact CG2-CG1 4.13Å; V245-V250 HydrophobicContact CG2-CG2 3.75Å
246G94Very high96.7Very high44 Ų4427.1 Ų27.145%0.45414%0.135SC..THydrogen-bonded Turntrans56.240.6-175.500000113.3N180 R248N180-G246 PolarHBondContact O-N 3.36Å; G246-R248 PolarHBondContact O-N 2.96Å
247N94.4Very high96.6Very high98 Ų9824.9 Ų24.952%0.52412%0.124SC..THydrogen-bonded Turntrans63.99.8-176-56.4-31.8000115.9P70 V245P70-N247 HydrophobicContact CG-CB 4.13Å; V245-N247 VanDerWaalsContact C-N 3.27Å; V245-N247 PolarHBondContact O-N 3.14Å
248R95.2Very high96.5Very high114 Ų11424.9 Ų24.943%0.4312%0.124SC..EExtended strand (participates in β ladder)trans-97.6128.9170.8176.9177.9162.3-164.1-6.7109.8F244 V245 G246 V250F244-R248 VanDerWaalsContact CA-O 3.24Å; F244-R248 WeakPolarHBondContact CA-O 3.31Å; V245-R248 PolarHBondContact N-O 3.14Å; V245-R248 PolarHBondContact O-N 3.28Å; V245-R248 VanDerWaalsContact O-N 3.07Å; G246-R248 PolarHBondContact O-N 2.96Å; R248-V250 PolarHBondContact O-N 3.19Å
249L97.2Very high96.4Very high4 Ų419.8 Ų19.82%0.02111%0.105CC..EExtended strand (participates in β ladder)trans-63.6121.1172.7-17565.6000109.7V68 L84 C85 F242 F244 M251V68-L249 HydrophobicContact CB-CB 4.3Å; V68-L249 HydrophobicContact CB-CD2 3.91Å; V68-L249 HydrophobicContact CG1-CD2 4.02Å; V68-L249 HydrophobicContact CG2-CD2 4.42Å; L84-L249 HydrophobicContact CB-CD2 3.74Å; C85-L249 HydrophobicContact CB-CD2 3.83Å; C85-L249 HydrophobicContact CB-CG 4.08Å; F242-L249 HydrophobicContact CB-CD1 3.85Å; F242-L249 HydrophobicContact CD1-CD1 4.14Å; F242-L249 HydrophobicContact CG-CD1 4.49Å; F244-L249 HydrophobicContact CD1-CB 4.16Å; F244-L249 HydrophobicContact CE1-CB 3.82Å; F244-L249 HydrophobicContact CE1-CD1 4.08Å; F244-L249 HydrophobicContact CE2-CD1 4.31Å; F244-L249 HydrophobicContact CZ-CB 4.5Å; F244-L249 HydrophobicContact CZ-CD1 3.97Å; L249-M251 VanDerWaalsContact CD1-O 3.25Å; L249-M251 WeakPolarHBondContact CD1-O 3.48Å
250V95.7Very high96.2Very high1 Ų121.9 Ų21.91%0.00612%0.116CC..EExtended strand (participates in β ladder)trans-115.5-26.4-179.1-64.70000113.1A89 N90 F92 I94 Y243 V245 R248A89-V250 CarbonylContact C-O 3.57Å; A89-V250 VanDerWaalsContact C-O 3.27Å; A89-V250 WeakPolarHBondContact CB-O 3.48Å; N90-V250 PolarHBondContact N-O 3.07Å; F92-V250 HydrophobicContact CD2-CG1 3.86Å; F92-V250 HydrophobicContact CE2-CG1 3.7Å; I94-V250 HydrophobicContact CD1-CG2 4.2Å; Y243-V250 VanDerWaalsContact O-CG2 3.31Å; Y243-V250 WeakPolarHBondContact O-CG2 3.36Å; Y243-V250 PolarHBondContact O-N 3.15Å; V245-V250 HydrophobicContact CB-CG1 4.06Å; V245-V250 HydrophobicContact CB-CG2 4.48Å; V245-V250 HydrophobicContact CG2-CG1 4.13Å; V245-V250 HydrophobicContact CG2-CG2 3.75Å; R248-V250 PolarHBondContact O-N 3.19Å
251M95.6Very high95.7Very high15 Ų1522.3 Ų22.37%0.07412%0.12CC..EExtended strand (participates in β ladder)trans-146150.7173.4-57.6175.7-69.100109.4N90 I94 F96 F182 Y243 L249N90-M251 HydrophobicContact CB-CG 3.95Å; N90-M251 HydrophobicContact CB-SD 4.46Å; I94-M251 HydrophobicContact CB-CE 3.8Å; I94-M251 HydrophobicContact CB-SD 4.09Å; I94-M251 HydrophobicContact CD1-CE 3.74Å; I94-M251 HydrophobicContact CG1-CE 4.38Å; I94-M251 HydrophobicContact CG2-CE 3.66Å; I94-M251 HydrophobicContact CG2-SD 4.34Å; F96-M251 HydrophobicContact CE2-CE 3.51Å; F96-M251 HydrophobicContact CE2-SD 3.95Å; F96-M251 HydrophobicContact CZ-CE 3.93Å; F182-M251 HydrophobicContact CE2-CE 4.36Å; F182-M251 HydrophobicContact CZ-CE 4.19Å; Y243-M251 HydrophobicContact CD1-CE 4.06Å; Y243-M251 HydrophobicContact CD2-CB 3.89Å; Y243-M251 HydrophobicContact CD2-CE 4.16Å; Y243-M251 HydrophobicContact CG-CB 4.24Å; Y243-M251 HydrophobicContact CG-CE 3.75Å; Y243-M251 PolarHBondContact N-O 3.24Å; Y243-M251 PolarHBondContact O-N 2.98Å; L249-M251 VanDerWaalsContact CD1-O 3.25Å; L249-M251 WeakPolarHBondContact CD1-O 3.48Å
252H96.5Very high94.7Very high0 Ų025.3 Ų25.30%015%0.153CC..EExtended strand (participates in β ladder)trans-141.9116.1173.8171-162.8000107.2T80 Y83 L84 R150 D240 S241 F242T80-H252 PolarHBondContact OG1-CE1 3.05Å; T80-H252 PolarHBondContact OG1-NE2 2.83Å; Y83-H252 WeakPolarHBondContact CA-ND1 3.37Å; Y83-H252 HydrophobicContact CD1-CB 4.47Å; Y83-H252 AromaticContact CD1-ND1 3.98Å; Y83-H252 WeakPolarHBondContact CD1-O 3.21Å; Y83-H252 WeakPolarHBondContact CE1-O 3.39Å; L84-H252 PolarHBondContact N-ND1 2.76Å; R150-H252 VanDerWaalsContact CZ-O 3.28Å; R150-H252 PolarHBondContact NE-O 2.98Å; R150-H252 PolarHBondContact NH2-O 3.31Å; D240-H252 IonicContact OD1-CE1 3.08Å; D240-H252 IonicContact OD1-NE2 2.72Å; D240-H252 PolarHBondContact OD1-NE2 3.09Å; D240-H252 VanDerWaalsContact OD1-NE2 3.08Å; S241-H252 WeakPolarHBondContact O-CA 3.43Å; F242-H252 HydrophobicContact CD1-CB 4.27Å; F242-H252 AromaticContact CD1-CD2 3.7Å; F242-H252 AromaticContact CD1-CG 3.81Å; F242-H252 AromaticContact CE1-CD2 3.56Å; F242-H252 AromaticContact CE1-CE1 3.58Å; F242-H252 AromaticContact CE1-CG 3.82Å; F242-H252 AromaticContact CE1-ND1 3.81Å; F242-H252 AromaticContact CE1-NE2 3.43Å; F242-H252 WeakPolarHBondContact CE1-NE2 3.43Å; F242-H252 AromaticContact CZ-NE2 3.95Å
253N95.4Very high93Very high35 Ų3529.6 Ų29.619%0.18718%0.176CC..EExtended strand (participates in β ladder)trans-111.6152.2179.5-63.2-0.7000109.2R150 S241R150-N253 CarbonylContact O-C 3.44Å; R150-N253 VanDerWaalsContact O-CA 3.23Å; R150-N253 WeakPolarHBondContact O-CA 3.38Å; S241-N253 PolarHBondContact N-O 3.18Å; S241-N253 PolarHBondContact O-N 3.14Å
254K96.6Very high90.6Very high25 Ų2536.7 Ų36.711%0.10921%0.213CC..EExtended strand (participates in β ladder)trans-122.5150.1-179.4-71.6179.6178.2-70.90109.7T80 Y83 R150 Y151 V152 S239 D240T80-K254 PolarHBondContact O-NZ 3.19Å; T80-K254 PolarHBondContact OG1-NZ 3.44Å; Y83-K254 HydrophobicContact CD1-CD 4.08Å; Y83-K254 HydrophobicContact CD1-CG 4.21Å; Y83-K254 HydrophobicContact CE1-CB 4.21Å; Y83-K254 HydrophobicContact CE1-CD 3.67Å; Y83-K254 HydrophobicContact CE1-CG 3.67Å; Y83-K254 HydrophobicContact CE2-CD 4.45Å; R150-K254 PolarHBondContact O-N 3.14Å; Y151-K254 CarbonylContact C-O 3.52Å; Y151-K254 VanDerWaalsContact CA-O 3.31Å; Y151-K254 WeakPolarHBondContact CA-O 3.26Å; Y151-K254 HydrophobicContact CD2-CB 3.71Å; Y151-K254 HydrophobicContact CE2-CB 4.15Å; V152-K254 PolarHBondContact N-O 2.96Å; S239-K254 WeakPolarHBondContact O-CA 3.38Å; D240-K254 WeakPolarHBondContact OD1-CG 3.17Å; D240-K254 IonicContact OD1-NZ 2.54Å; D240-K254 PolarHBondContact OD1-NZ 2.89Å
255A96Very high87.8Confident7 Ų746.2 Ų46.26%0.05827%0.271CS..EExtended strand (participates in β ladder)trans-142.8151.6168.400000111.9V152 Y154 R238 S239 Y257V152-A255 HydrophobicContact CB-CB 4.44Å; V152-A255 WeakPolarHBondContact O-CA 3.21Å; V152-A255 VanDerWaalsContact O-CB 3.23Å; V152-A255 WeakPolarHBondContact O-CB 3.25Å; Y154-A255 HydrophobicContact CD2-CB 4.06Å; Y154-A255 HydrophobicContact CE2-CB 3.86Å; R238-A255 CarbonylContact C-O 3.5Å; R238-A255 WeakPolarHBondContact CA-O 3.36Å; S239-A255 PolarHBondContact N-O 3.42Å; S239-A255 PolarHBondContact O-N 2.85Å; A255-Y257 HydrophobicContact CB-CE2 4.02Å
256D97Very high87.3Confident3 Ų348 Ų482%0.01628%0.281CS..EExtended strand (participates in β ladder)trans-122.5155165.671.2-0.8000111Y151 V152 R153 Y154 F235 T237 R238Y151-D256 PolarHBondContact OH-OD1 3.09Å; Y151-D256 PolarHBondContact OH-OD2 3.31Å; V152-D256 PolarHBondContact O-N 3.41Å; V152-D256 VanDerWaalsContact O-N 3.14Å; R153-D256 VanDerWaalsContact CA-OD1 3.25Å; R153-D256 WeakPolarHBondContact CA-OD1 3.5Å; R153-D256 VanDerWaalsContact CB-OD1 3.25Å; R153-D256 WeakPolarHBondContact CB-OD1 3.48Å; R153-D256 WeakPolarHBondContact CG-OD1 3.43Å; R153-D256 IonicContact CZ-OD1 2.7Å; R153-D256 IonicContact CZ-OD2 3.49Å; R153-D256 VanDerWaalsContact CZ-OD2 3.29Å; R153-D256 IonicContact NE-OD1 3.88Å; R153-D256 PolarHBondContact NE-OD1 3.03Å; R153-D256 IonicContact NE-OD2 3.29Å; R153-D256 PolarHBondContact NE-OD2 2.82Å; R153-D256 IonicContact NH2-OD2 3.39Å; R153-D256 PolarHBondContact NH2-OD2 2.95Å; Y154-D256 PolarHBondContact N-O 3.33Å; F235-D256 HydrophobicContact CB-CB 4.21Å; F235-D256 WeakPolarHBondContact CB-OD2 3.42Å; F235-D256 HydrophobicContact CD1-CB 4.29Å; F235-D256 WeakPolarHBondContact CD1-OD2 3.31Å; T237-D256 WeakPolarHBondContact O-CA 3.48Å; R238-D256 HydrophobicContact CG-CB 4.05Å
257Y96.7Very high86.9Confident18 Ų1848.2 Ų48.27%0.07127%0.272CS..EExtended strand (participates in β ladder)trans-131.8130.1-170-52.6-95.2000110.3Y154 F156 H188 F235 T237 S239 A255 Y259Y154-Y257 AromaticContact CD2-CD1 3.7Å; Y154-Y257 HydrophobicContact CD2-CD1 3.7Å; Y154-Y257 AromaticContact CD2-CE1 3.31Å; Y154-Y257 HydrophobicContact CD2-CE1 3.31Å; Y154-Y257 AromaticContact CD2-CZ 3.99Å; Y154-Y257 AromaticContact CE2-CE1 3.89Å; Y154-Y257 HydrophobicContact CE2-CE1 3.89Å; Y154-Y257 HydrophobicContact CG-CD1 4.03Å; Y154-Y257 AromaticContact CG-CE1 3.99Å; Y154-Y257 HydrophobicContact CG-CE1 3.99Å; Y154-Y257 WeakPolarHBondContact O-CA 3.35Å; F156-Y257 HydrophobicContact CD2-CD1 4.48Å; F156-Y257 HydrophobicContact CE2-CD1 4.12Å; F156-Y257 HydrophobicContact CE2-CE1 4.49Å; H188-Y257 AromaticContact CE1-CZ 3.75Å; H188-Y257 PolarHBondContact CE1-OH 2.84Å; H188-Y257 VanDerWaalsContact CE1-OH 3.29Å; F235-Y257 WeakPolarHBondContact CA-O 3.32Å; F235-Y257 PolarHBondContact N-O 3.26Å; T237-Y257 HydrophobicContact CG2-CD2 3.96Å; T237-Y257 HydrophobicContact CG2-CG 4.41Å; T237-Y257 WeakPolarHBondContact O-CD2 3.16Å; T237-Y257 PolarHBondContact O-N 3.5Å; S239-Y257 WeakPolarHBondContact OG-CE2 3.47Å; S239-Y257 PolarHBondContact OG-OH 2.85Å; A255-Y257 HydrophobicContact CB-CE2 4.02Å; Y257-Y259 WeakPolarHBondContact CB-OH 3.49Å
258A96.2Very high86.5Confident0 Ų045.4 Ų45.40%026%0.258CS..EExtended strand (participates in β ladder)trans-111.4139.5162.300000109.2Y154 Q155 F156 P234 F235Y154-A258 PolarHBondContact O-N 2.69Å; Q155-A258 HydrophobicContact CG-CB 4.3Å; F156-A258 PolarHBondContact N-O 3.12Å; P234-A258 HydrophobicContact CB-CB 3.67Å; F235-A258 HydrophobicContact CD1-CB 3.98Å; F235-A258 HydrophobicContact CE1-CB 3.53Å; F235-A258 HydrophobicContact CE2-CB 4.45Å; F235-A258 HydrophobicContact CZ-CB 3.81Å
259Y95.3Very high86Confident11 Ų1141.4 Ų41.44%0.04325%0.248CC..  trans-116.816.1-178.9-55.4-72.5000112.4F156 T157 P158 F160 L161 M230 T237 Y257F156-Y259 HydrophobicContact CB-CD1 4.17Å; F156-Y259 HydrophobicContact CD2-CD1 4.48Å; F156-Y259 HydrophobicContact CD2-CE1 4.2Å; F156-Y259 CarbonylContact O-C 3.6Å; F156-Y259 WeakPolarHBondContact O-CA 3.42Å; T157-Y259 CarbonylContact C-O 3.41Å; P158-Y259 VanDerWaalsContact CA-O 3.29Å; P158-Y259 WeakPolarHBondContact CA-O 3.41Å; P158-Y259 WeakPolarHBondContact CD-O 3.33Å; P158-Y259 WeakPolarHBondContact CG-O 3.23Å; F160-Y259 HydrophobicContact CD1-CD1 4.13Å; F160-Y259 AromaticContact CD1-CE1 3.73Å; F160-Y259 HydrophobicContact CD1-CE1 3.73Å; F160-Y259 HydrophobicContact CE1-CE1 4.14Å; L161-Y259 HydrophobicContact CD1-CD1 4.25Å; L161-Y259 HydrophobicContact CD1-CD2 3.94Å; L161-Y259 HydrophobicContact CD1-CG 3.76Å; L161-Y259 HydrophobicContact CD2-CD1 3.84Å; L161-Y259 HydrophobicContact CD2-CD2 4.17Å; L161-Y259 HydrophobicContact CD2-CE1 3.72Å; L161-Y259 HydrophobicContact CD2-CE2 4.03Å; L161-Y259 HydrophobicContact CD2-CG 4.07Å; L161-Y259 HydrophobicContact CG-CD1 3.84Å; L161-Y259 HydrophobicContact CG-CD2 4.33Å; L161-Y259 HydrophobicContact CG-CE1 4.25Å; L161-Y259 HydrophobicContact CG-CG 3.89Å; M230-Y259 HydrophobicContact CB-CD2 4.21Å; M230-Y259 HydrophobicContact CE-CD2 4.22Å; M230-Y259 HydrophobicContact CE-CE2 3.54Å; T237-Y259 HydrophobicContact CG2-CE2 4.02Å; T237-Y259 WeakPolarHBondContact CG2-OH 3.3Å; Y257-Y259 WeakPolarHBondContact CB-OH 3.49Å
260D93.6Very high85.3Confident45 Ų4543.8 Ų43.824%0.24126%0.262CS..  trans-99.48.1179.265-12.1000112.9F156 I231 G262 N263F156-D260 PolarHBondContact O-N 2.8Å; I231-D260 HydrophobicContact CG2-CB 4.48Å; D260-G262 PolarHBondContact O-N 3.01Å; D260-N263 VanDerWaalsContact O-CB 3.23Å; D260-N263 WeakPolarHBondContact O-CB 3.39Å; D260-N263 PolarHBondContact O-N 2.9Å; D260-N263 VanDerWaalsContact O-N 3.09Å; D260-N263 PolarHBondContact O-ND2 2.9Å
261G86.6Confident84.6Confident8 Ų846.6 Ų46.68%0.08228%0.28CS..THydrogen-bonded Turntrans-55.6136.6-179.600000111.8F156 T157 N263F156-G261 VanDerWaalsContact O-CA 3.31Å; F156-G261 WeakPolarHBondContact O-CA 3.31Å; F156-G261 PolarHBondContact O-N 2.79Å; T157-G261 VanDerWaalsContact CA-O 3.3Å; T157-G261 WeakPolarHBondContact CA-O 3.5Å; T157-G261 WeakPolarHBondContact CB-O 3.44Å; T157-G261 WeakPolarHBondContact CG2-O 3.36Å; G261-N263 PolarHBondContact O-N 2.7Å
262G77.7Confident83.9Confident73 Ų7348.9 Ų48.975%0.75329%0.294SS*.THydrogen-bonded Turntrans78.1-5.2-178.400000115D260 I264D260-G262 PolarHBondContact O-N 3.01Å; G262-I264 PolarHBondContact O-N 2.88Å; G262-I264 VanDerWaalsContact O-N 3.1Å
263N61.3Low82.9Confident89 Ų8952.6 Ų52.648%0.47632%0.317SS..  trans-68.9107.6165-64.9-20.9000107.7D260 G261 V265D260-N263 VanDerWaalsContact O-CB 3.23Å; D260-N263 WeakPolarHBondContact O-CB 3.39Å; D260-N263 PolarHBondContact O-N 2.9Å; D260-N263 VanDerWaalsContact O-N 3.09Å; D260-N263 PolarHBondContact O-ND2 2.9Å; G261-N263 PolarHBondContact O-N 2.7Å; N263-V265 PolarHBondContact O-N 2.69Å
264I46.2Very low81.8Confident169 Ų16954.1 Ų54.187%0.86733%0.328SS*.  trans-70.7111.3166.9-55.9170.9000105.6G262G262-I264 PolarHBondContact O-N 2.88Å; G262-I264 VanDerWaalsContact O-N 3.1Å
265V39Very low80.5Confident201 Ų20156.7 Ų56.7100%1.21835%0.348SS*.  trans-70.70166.6-177.10000109.4N263N263-V265 PolarHBondContact O-N 2.69Å

Retrieved 265 of 265 residues in 102.6 ms (Link to these results)