A0A087XL20_POEFO Loading...

Cerebellin 4 precursor

AlphaFold DB , UniProt , Accession A0A087XL20, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 203 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1R53.8Low50.8Low284 Ų284156.1 Ų156.1100%1.07271%0.709SS**  0-21.20-124.7170.6-176.5172.5-0.3114.4
2S52.3Low51.5Low102 Ų102149.6 Ų149.671%0.71369%0.69SS**Hα-helixtrans-84.3-24.6-177.2-1600000116.3
3Y47.6Very low51.8Low212 Ų212145.1 Ų145.183%0.83167%0.674SS**Hα-helixtrans-80.1-26-178.3-98-98.5000114.4
4Y45.1Very low52.3Low177 Ų177139.6 Ų139.669%0.69466%0.66SS**Hα-helixtrans-76.7-34.4-177.6-155.3-95.1000112.3R8Y4-R8 PolarHBondContact O-N 2.86Å
5N44Very low52.7Low111 Ų111137.6 Ų137.659%0.59465%0.654SS**Hα-helixtrans-71.9-30178.7-77.3-12.5000113.2R8 S9N5-R8 PolarHBondContact O-N 2.9Å; N5-S9 PolarHBondContact O-N 2.97Å; N5-S9 VanDerWaalsContact O-N 3.1Å
6R47.3Very low53.1Low206 Ų206135.1 Ų135.178%0.77765%0.645SS**Hα-helixtrans-70.7-37.9179.9-143.7177.3-159.2178.65.2112.4A10R6-A10 PolarHBondContact O-N 3.39Å; R6-A10 VanDerWaalsContact O-N 3.17Å
7K48Very low53.4Low172 Ų172133.9 Ų133.975%0.74864%0.642SS**Hα-helixtrans-68.6-38.1174.5-83-171174-175.20112.5A10 M11K7-A10 PolarHBondContact O-N 2.72Å; K7-M11 PolarHBondContact O-N 3.11Å; K7-M11 VanDerWaalsContact O-N 3.11Å
8R50.9Low53.6Low173 Ų173132.2 Ų132.265%0.65364%0.636SS**Hα-helixtrans-65.6-43176.6-120.9-179.7-179.2-171.9-0.4112.1Y4 N5 M11 V12Y4-R8 PolarHBondContact O-N 2.86Å; N5-R8 PolarHBondContact O-N 2.9Å; R8-M11 PolarHBondContact O-N 2.87Å; R8-V12 VanDerWaalsContact O-CG2 3.27Å; R8-V12 WeakPolarHBondContact O-CG2 3.48Å; R8-V12 PolarHBondContact O-N 2.82Å; R8-V12 VanDerWaalsContact O-N 3.09Å
9S53Low53.7Low66 Ų66130.4 Ų130.446%0.46263%0.63SS.*Hα-helixtrans-65.2-39.4177.2176.30000112.7N5 V12 N13N5-S9 PolarHBondContact O-N 2.97Å; N5-S9 VanDerWaalsContact O-N 3.1Å; S9-V12 PolarHBondContact O-N 3.07Å; S9-N13 WeakPolarHBondContact O-CB 3.42Å; S9-N13 PolarHBondContact O-N 2.99Å
10A57.9Low53.8Low61 Ų61126.4 Ų126.450%0.50462%0.616SS.*Hα-helixtrans-66.2-39.5176.200000112.8R6 K7 S14R6-A10 PolarHBondContact O-N 3.39Å; R6-A10 VanDerWaalsContact O-N 3.17Å; K7-A10 PolarHBondContact O-N 2.72Å; A10-S14 WeakPolarHBondContact O-CB 3.27Å; A10-S14 PolarHBondContact O-N 2.8Å
11M59.1Low53.6Low153 Ų153129.8 Ų129.875%0.75462%0.622SS**Hα-helixtrans-65.6-42176.5-122.3-173.5-156.900112.1K7 R8 S14 L15K7-M11 PolarHBondContact O-N 3.11Å; K7-M11 VanDerWaalsContact O-N 3.11Å; R8-M11 PolarHBondContact O-N 2.87Å; M11-S14 PolarHBondContact O-N 3.5Å; M11-L15 WeakPolarHBondContact O-CB 3.44Å; M11-L15 PolarHBondContact O-N 3.03Å
12V59.3Low53.4Low78 Ų78120.5 Ų120.547%0.47360%0.597SS.*Hα-helixtrans-67.6-42.4179.3173.10000110.9R8 S9 S14 L15 I16R8-V12 VanDerWaalsContact O-CG2 3.27Å; R8-V12 WeakPolarHBondContact O-CG2 3.48Å; R8-V12 PolarHBondContact O-N 2.82Å; R8-V12 VanDerWaalsContact O-N 3.09Å; S9-V12 PolarHBondContact O-N 3.07Å; V12-S14 VanDerWaalsContact C-N 3.35Å; V12-S14 PolarHBondContact O-N 3.17Å; V12-L15 PolarHBondContact O-N 3.4Å; V12-I16 HydrophobicContact CG1-CD1 3.76Å; V12-I16 HydrophobicContact CG1-CG1 4.45Å; V12-I16 VanDerWaalsContact O-CG1 3.25Å; V12-I16 WeakPolarHBondContact O-CG1 3.43Å; V12-I16 PolarHBondContact O-N 3.1Å
13N55.8Low53.2Low91 Ų91122.9 Ų122.949%0.48760%0.599SS.*Hα-helixtrans-65.6-37176.4-75.3-3.5000112.4S9 I16 L17S9-N13 WeakPolarHBondContact O-CB 3.42Å; S9-N13 PolarHBondContact O-N 2.99Å; N13-I16 PolarHBondContact O-N 3.48Å; N13-L17 WeakPolarHBondContact O-CB 3.47Å; N13-L17 WeakPolarHBondContact O-CD1 3.48Å; N13-L17 WeakPolarHBondContact O-CG 3.45Å; N13-L17 PolarHBondContact O-N 3.11Å
14S58.3Low53.2Low68 Ų68119.2 Ų119.248%0.47659%0.592SS.*Hα-helixtrans-68.1-35.3175.5-162.50000112.3A10 M11 V12 L18A10-S14 WeakPolarHBondContact O-CB 3.27Å; A10-S14 PolarHBondContact O-N 2.8Å; M11-S14 PolarHBondContact O-N 3.5Å; V12-S14 VanDerWaalsContact C-N 3.35Å; V12-S14 PolarHBondContact O-N 3.17Å; S14-L18 WeakPolarHBondContact O-CD1 3.1Å; S14-L18 WeakPolarHBondContact O-CG 3.45Å; S14-L18 PolarHBondContact O-N 3.09Å; S14-L18 VanDerWaalsContact O-N 3.12Å
15L58.1Low53.3Low110 Ų110115.5 Ų115.558%0.57659%0.592SS**Hα-helixtrans-71.5-38.8176.9-158.276.2000111.6M11 V12 L18 L19M11-L15 WeakPolarHBondContact O-CB 3.44Å; M11-L15 PolarHBondContact O-N 3.03Å; V12-L15 PolarHBondContact O-N 3.4Å; L15-L18 PolarHBondContact O-N 3.42Å; L15-L19 HydrophobicContact CG-CD1 4.2Å; L15-L19 WeakPolarHBondContact O-CB 3.45Å; L15-L19 WeakPolarHBondContact O-CD1 3.25Å; L15-L19 PolarHBondContact O-N 3.49Å
16I59.8Low53.5Low98 Ų98112.9 Ų112.950%0.50359%0.592SS.*Hα-helixtrans-65.1-41.3175.2-67.5166.1000110.9V12 N13 L19 S20V12-I16 HydrophobicContact CG1-CD1 3.76Å; V12-I16 HydrophobicContact CG1-CG1 4.45Å; V12-I16 VanDerWaalsContact O-CG1 3.25Å; V12-I16 WeakPolarHBondContact O-CG1 3.43Å; V12-I16 PolarHBondContact O-N 3.1Å; N13-I16 PolarHBondContact O-N 3.48Å; I16-L19 PolarHBondContact O-N 3.47Å; I16-S20 WeakPolarHBondContact O-CB 3.46Å; I16-S20 PolarHBondContact O-N 3.41Å; I16-S20 PolarHBondContact O-OG 3.04Å
17L57.5Low53.6Low115 Ų115109.5 Ų109.560%0.60259%0.594SS**Hα-helixtrans-64-41.4175.8-81159.4000112N13 S20 W21N13-L17 WeakPolarHBondContact O-CB 3.47Å; N13-L17 WeakPolarHBondContact O-CD1 3.48Å; N13-L17 WeakPolarHBondContact O-CG 3.45Å; N13-L17 PolarHBondContact O-N 3.11Å; L17-S20 WeakPolarHBondContact CA-OG 3.36Å; L17-S20 PolarHBondContact O-N 3.14Å; L17-S20 PolarHBondContact O-OG 3.01Å; L17-W21 PolarHBondContact O-N 2.89Å
18L57.3Low53.6Low102 Ų102106.1 Ų106.153%0.53460%0.598SS.*Hα-helixtrans-66.4-42.6176.4-78.1160.9000112.4S14 L15 S20 W21 T22S14-L18 WeakPolarHBondContact O-CD1 3.1Å; S14-L18 WeakPolarHBondContact O-CG 3.45Å; S14-L18 PolarHBondContact O-N 3.09Å; S14-L18 VanDerWaalsContact O-N 3.12Å; L15-L18 PolarHBondContact O-N 3.42Å; L18-S20 VanDerWaalsContact C-N 3.33Å; L18-S20 PolarHBondContact O-N 3.31Å; L18-W21 PolarHBondContact O-N 3.42Å; L18-T22 PolarHBondContact O-N 2.96Å; L18-T22 VanDerWaalsContact O-N 3.16Å; L18-T22 PolarHBondContact O-OG1 3.46Å
19L55Low53.3Low99 Ų99108.8 Ų108.852%0.51861%0.608SS.*Hα-helixtrans-64.8-35.6174.6-82.2154.6000112.2L15 I16 T22 M23L15-L19 HydrophobicContact CG-CD1 4.2Å; L15-L19 WeakPolarHBondContact O-CB 3.45Å; L15-L19 WeakPolarHBondContact O-CD1 3.25Å; L15-L19 PolarHBondContact O-N 3.49Å; I16-L19 PolarHBondContact O-N 3.47Å; L19-T22 WeakPolarHBondContact CA-OG1 3.43Å; L19-T22 PolarHBondContact O-N 3.03Å; L19-T22 PolarHBondContact O-OG1 2.72Å; L19-M23 WeakPolarHBondContact O-CG 3.42Å; L19-M23 PolarHBondContact O-N 3.47Å
20S55.1Low53Low50 Ų50109.5 Ų109.535%0.3562%0.617SS.*Hα-helixtrans-68-34.8175.574.30000112.8I16 L17 L18 M23 I24I16-S20 WeakPolarHBondContact O-CB 3.46Å; I16-S20 PolarHBondContact O-N 3.41Å; I16-S20 PolarHBondContact O-OG 3.04Å; L17-S20 WeakPolarHBondContact CA-OG 3.36Å; L17-S20 PolarHBondContact O-N 3.14Å; L17-S20 PolarHBondContact O-OG 3.01Å; L18-S20 VanDerWaalsContact C-N 3.33Å; L18-S20 PolarHBondContact O-N 3.31Å; S20-M23 PolarHBondContact O-N 2.96Å; S20-I24 WeakPolarHBondContact O-CD1 3.36Å; S20-I24 WeakPolarHBondContact O-CG1 3.39Å; S20-I24 PolarHBondContact O-N 3.27Å
21W49.5Very low52.3Low198 Ų198113.9 Ų113.975%0.7563%0.628SS**Hα-helixtrans-72.5-34.3176.5-104.5-5.1000112.8L17 L18 M23 I24 S25L17-W21 PolarHBondContact O-N 2.89Å; L18-W21 PolarHBondContact O-N 3.42Å; W21-M23 VanDerWaalsContact C-N 3.27Å; W21-M23 PolarHBondContact O-N 3.4Å; W21-I24 PolarHBondContact O-N 3.12Å; W21-S25 PolarHBondContact O-N 3.4Å; W21-S25 PolarHBondContact O-OG 3.45Å
22T51.5Low51.8Low89 Ų89113.3 Ų113.355%0.54663%0.627SS.*Hα-helixtrans-68.3-25.5174.550.80000113.5L18 L19 S25L18-T22 PolarHBondContact O-N 2.96Å; L18-T22 VanDerWaalsContact O-N 3.16Å; L18-T22 PolarHBondContact O-OG1 3.46Å; L19-T22 WeakPolarHBondContact CA-OG1 3.43Å; L19-T22 PolarHBondContact O-N 3.03Å; L19-T22 PolarHBondContact O-OG1 2.72Å; T22-S25 PolarHBondContact O-OG 3.48Å
23M46.6Very low51.2Low152 Ų152114.9 Ų114.975%0.74963%0.633SS**Hα-helixtrans-83.7-22.1178.4-73.7-66.4-173.500113.5L19 S20 W21L19-M23 WeakPolarHBondContact O-CG 3.42Å; L19-M23 PolarHBondContact O-N 3.47Å; S20-M23 PolarHBondContact O-N 2.96Å; W21-M23 VanDerWaalsContact C-N 3.27Å; W21-M23 PolarHBondContact O-N 3.4Å
24I48.6Very low51.4Low134 Ų134116.4 Ų116.469%0.68765%0.646SS**Hα-helixtrans-88.2-23.7179.3-62.7165.9000111.6S20 W21 G26S20-I24 WeakPolarHBondContact O-CD1 3.36Å; S20-I24 WeakPolarHBondContact O-CG1 3.39Å; S20-I24 PolarHBondContact O-N 3.27Å; W21-I24 PolarHBondContact O-N 3.12Å; I24-G26 VanDerWaalsContact C-N 3.27Å; I24-G26 PolarHBondContact O-N 3.35Å
25S46.3Very low51.3Low100 Ų100121.1 Ų121.170%0.69966%0.66SS**THydrogen-bonded Turntrans-79.5-2.2175.3510000114.8W21 T22W21-S25 PolarHBondContact O-N 3.4Å; W21-S25 PolarHBondContact O-OG 3.45Å; T22-S25 PolarHBondContact O-OG 3.48Å
26G48.7Very low51.2Low56 Ų56121.2 Ų121.258%0.57767%0.668SS**THydrogen-bonded Turntrans-95.4-9.8-170.400000117.1I24I24-G26 VanDerWaalsContact C-N 3.27Å; I24-G26 PolarHBondContact O-N 3.35Å
27V48.6Very low51.2Low135 Ų135123.5 Ų123.582%0.81868%0.679SS**  trans-137.566.4-175.5-167.20000111.2
28A49.7Very low51Low101 Ų101123.3 Ų123.384%0.83568%0.683SS**  trans-129.251.615300000108.4A30A28-A30 PolarHBondContact O-N 3.35Å; A28-A30 VanDerWaalsContact O-N 3.14Å
29R44Very low50.6Low229 Ų229124.4 Ų124.486%0.86469%0.689SS**  trans-7593153.2-74.8-169.4176.2156.30.7105.6Q31R29-Q31 PolarHBondContact O-N 3.3Å
30A46Very low50.4Low80 Ų80128.8 Ų128.866%0.66171%0.706SS**  trans-55.7103.5152.600000105.5A28 N32A28-A30 PolarHBondContact O-N 3.35Å; A28-A30 VanDerWaalsContact O-N 3.14Å; A30-N32 PolarHBondContact O-N 2.82Å
31Q43.7Very low50.4Low154 Ų154129.1 Ų129.172%0.7272%0.718SS**  trans-63.190.7161.4-93.9172.7-73.200105.4R29 D33R29-Q31 PolarHBondContact O-N 3.3Å; Q31-D33 HydrophobicContact CB-CB 4.27Å; Q31-D33 WeakPolarHBondContact CG-OD2 3.5Å; Q31-D33 PolarHBondContact NE2-OD2 3.31Å; Q31-D33 PolarHBondContact O-N 3.48Å
32N49.4Very low51Low140 Ų140129.6 Ų129.675%0.74973%0.725SS**  trans-73.951.5155.9-74.8-10.8000108.1A30 T34A30-N32 PolarHBondContact O-N 2.82Å; N32-T34 PolarHBondContact O-N 3.06Å
33D46Very low51.6Low111 Ų111129.6 Ų129.659%0.59473%0.728SS**  trans-80.761.1172.2-70.6-3.1000107.3Q31 E35Q31-D33 HydrophobicContact CB-CB 4.27Å; Q31-D33 WeakPolarHBondContact CG-OD2 3.5Å; Q31-D33 PolarHBondContact NE2-OD2 3.31Å; Q31-D33 PolarHBondContact O-N 3.48Å; D33-E35 PolarHBondContact O-N 3.16Å
34T58.8Low52.5Low123 Ų123125.9 Ų125.976%0.75571%0.711SS**  trans-8181.1151.2520000105.3N32N32-T34 PolarHBondContact O-N 3.06Å
35E56.5Low53.5Low167 Ų167125 Ų12578%0.7871%0.711SS**  trans-52.5125.3160.8-72.3-169.8161.500106.6D33 I37D33-E35 PolarHBondContact O-N 3.16Å; E35-I37 PolarHBondContact O-N 3.4Å
36P56.6Low54.5Low112 Ų112124.2 Ų124.273%0.72770%0.702SS**  trans-60.5116.5177.624.2-31.1000107V38P36-V38 VanDerWaalsContact C-N 3.33Å; P36-V38 PolarHBondContact O-N 3.39Å
37I59Low55.4Low146 Ų146126.3 Ų126.375%0.74971%0.707SS**  trans-59.8107166.1-62.2171.9000104.8E35 L39E35-I37 PolarHBondContact O-N 3.4Å; I37-L39 HydrophobicContact CG2-CD2 3.89Å; I37-L39 HydrophobicContact CG2-CG 4.38Å; I37-L39 PolarHBondContact O-N 3.41Å
38V53.6Low55.9Low111 Ų111126.8 Ų126.867%0.67371%0.705SS**  trans-66.195170-178.90000105.2P36 E40P36-V38 VanDerWaalsContact C-N 3.33Å; P36-V38 PolarHBondContact O-N 3.39Å; V38-E40 HydrophobicContact CG1-CG 3.85Å; V38-E40 PolarHBondContact O-N 3.24Å
39L48.7Very low55.9Low126 Ų126127 Ų12766%0.6670%0.7SS**  trans-68.191167.3-64.2175.4000106I37 G41I37-L39 HydrophobicContact CG2-CD2 3.89Å; I37-L39 HydrophobicContact CG2-CG 4.38Å; I37-L39 PolarHBondContact O-N 3.41Å; L39-G41 PolarHBondContact O-N 3.39Å
40E51.3Low56.3Low190 Ų190121.2 Ų121.289%0.88869%0.687SS**  trans-68.283167.2-69.3-167.5166.300108.1V38V38-E40 HydrophobicContact CG1-CG 3.85Å; V38-E40 PolarHBondContact O-N 3.24Å
41G56.4Low56.3Low58 Ų58121.9 Ų121.960%0.59868%0.684SS**SBendtrans179.8151.8-178.500000111.7L39 C43L39-G41 PolarHBondContact O-N 3.39Å; G41-C43 PolarHBondContact O-N 2.92Å; G41-C43 VanDerWaalsContact O-N 3.11Å
42K61.7Low56.6Low207 Ų207118.8 Ų118.890%0.969%0.685SS**  trans-75.897.6171.1-70.1179.6179.6176.30108.5
43C63.5Low56.6Low90 Ų90117.9 Ų117.961%0.60869%0.685SS**  trans-92.8131.3173.3-1690000110.1G41G41-C43 PolarHBondContact O-N 2.92Å; G41-C43 VanDerWaalsContact O-N 3.11Å
44L66.4Low56.4Low73 Ų73119.5 Ų119.538%0.38269%0.693SS.*  trans-106111.9167.6-173.8112.8000108.2V46 L168 F198 V200L44-V46 HydrophobicContact CD2-CG2 3.38Å; L44-V46 HydrophobicContact CG-CG2 4.32Å; L44-L168 HydrophobicContact CD1-CD2 4.4Å; L44-F198 HydrophobicContact CD2-CE2 3.47Å; L44-F198 VanDerWaalsContact CD2-CE2 3.47Å; L44-F198 HydrophobicContact CD2-CZ 3.45Å; L44-F198 VanDerWaalsContact CD2-CZ 3.45Å; L44-V200 HydrophobicContact CD2-CG1 4.16Å; L44-V200 HydrophobicContact CD2-CG2 4.2Å
45V69.6Low56Low115 Ų115126 Ų12670%0.69770%0.704SS**  trans-92.9117.6175.6-1770000108.4
46V66.3Low55.5Low84 Ų84128.8 Ų128.851%0.50971%0.708SS.*  trans-107.2106.3172.6-1740000108L44 F198 V200L44-V46 HydrophobicContact CD2-CG2 3.38Å; L44-V46 HydrophobicContact CG-CG2 4.32Å; V46-F198 HydrophobicContact CG2-CE2 4.45Å; V46-V200 HydrophobicContact CG2-CG1 4.25Å
47C68.8Low55.2Low100 Ų100129.6 Ų129.668%0.67672%0.716SS**  trans-87.5117.1172.9-60.30000108.9S49C47-S49 PolarHBondContact O-N 3.03Å; C47-S49 VanDerWaalsContact O-N 3.16Å
48D58.3Low54.5Low145 Ų145127.7 Ų127.778%0.77572%0.716SS**  trans-78.297.5169.5-167.7-0.3000108.4N50D48-N50 PolarHBondContact O-N 3.16Å
49S49.5Very low54.2Low106 Ų106128.3 Ų128.374%0.74173%0.725SS**  trans-76.661.1173.6-55.80000110C47 P51C47-S49 PolarHBondContact O-N 3.03Å; C47-S49 VanDerWaalsContact O-N 3.16Å; S49-P51 WeakPolarHBondContact O-CD 3.47Å
50N52.7Low53.9Low108 Ų108126.3 Ų126.358%0.57872%0.721SS**  trans-105.180.8166.8-158.341.3000109.1D48 A52D48-N50 PolarHBondContact O-N 3.16Å; N50-A52 PolarHBondContact O-N 3.4Å; N50-A52 VanDerWaalsContact O-N 3.11Å
51P46.4Very low53.5Low93 Ų93123.8 Ų123.860%0.60472%0.721SS**  trans-65.8113.5166.929.4-30.6000106.3S49 T53S49-P51 WeakPolarHBondContact O-CD 3.47Å; P51-T53 VanDerWaalsContact C-N 3.3Å; P51-T53 PolarHBondContact O-N 3.06Å
52A48.6Very low53Low90 Ų90126.7 Ų126.774%0.74472%0.723SS**  trans-60.398.7168.100000107.6N50 D54N50-A52 PolarHBondContact O-N 3.4Å; N50-A52 VanDerWaalsContact O-N 3.11Å; A52-D54 PolarHBondContact O-N 3.14Å
53T49.2Very low52.1Low121 Ų121120.7 Ų120.774%0.74272%0.72SS**  trans-72.7119174.934.20000109.4P51P51-T53 VanDerWaalsContact C-N 3.3Å; P51-T53 PolarHBondContact O-N 3.06Å
54D43.3Very low51.3Low145 Ų145121.2 Ų121.278%0.77572%0.715SS**  trans51.2109.6154.8-58.7-30.9000119.3A52 R56A52-D54 PolarHBondContact O-N 3.14Å; D54-R56 PolarHBondContact O-N 3.39Å
55W49.7Very low50.2Low259 Ų259120.5 Ų120.598%0.98172%0.716SS**SBendtrans-67.426.5177.2-66.8-50.6000116.7
56R47.1Very low49.1Very low226 Ų226121.3 Ų121.385%0.85372%0.721SS**SBendtrans-137.7106.3178.8-65.3-172.6-178.3-174.81.6111.4D54D54-R56 PolarHBondContact O-N 3.39Å
57S48.7Very low48.4Very low129 Ų129127.6 Ų127.690%0.90274%0.736SS**SBendtrans95.765.9162.1-34.80000116.5
58S44.4Very low47.6Very low106 Ų106125 Ų12574%0.74172%0.721SS**  trans-154.6120.6148.6174.30000108.7S60S58-S60 PolarHBondContact O-N 3.4Å
59S48Very low47.2Very low124 Ų124121.7 Ų121.787%0.86771%0.714SS**SBendtrans-77.260.6-172.351.50000112.9
60S43Very low47.8Very low84 Ų84122.6 Ų122.659%0.58771%0.711SS**  trans-136113.8161-71.10000107.7S58 L62S58-S60 PolarHBondContact O-N 3.4Å; S60-L62 PolarHBondContact O-N 3.3Å
61P41.9Very low48.7Very low136 Ų136119.3 Ų119.388%0.88370%0.696SS**SBendtrans-76.311.5-166.630.8-34000114.2
62L45.3Very low50.7Low120 Ų120122.5 Ų122.563%0.62870%0.701SS**SBendtrans-135.8116.8174-63.7169.5000106S60 I64S60-L62 PolarHBondContact O-N 3.3Å; L62-I64 HydrophobicContact CB-CD1 3.76Å; L62-I64 HydrophobicContact CB-CG1 3.92Å; L62-I64 HydrophobicContact CD1-CD1 3.85Å; L62-I64 HydrophobicContact CG-CD1 4.35Å; L62-I64 PolarHBondContact O-N 2.94Å
63G44.4Very low53Low81 Ų81118.6 Ų118.684%0.83567%0.667SS**  trans-64.935.1170.800000113.5S65G63-S65 VanDerWaalsContact C-N 3.33Å; G63-S65 PolarHBondContact O-N 2.85Å; G63-S65 VanDerWaalsContact O-N 3.07Å
64I45.6Very low55.3Low100 Ų100114.1 Ų114.151%0.51364%0.643SS.*  trans-74.294.3168-61.1167000104.8L62 V66L62-I64 HydrophobicContact CB-CD1 3.76Å; L62-I64 HydrophobicContact CB-CG1 3.92Å; L62-I64 HydrophobicContact CD1-CD1 3.85Å; L62-I64 HydrophobicContact CG-CD1 4.35Å; L62-I64 PolarHBondContact O-N 2.94Å; I64-V66 PolarHBondContact O-N 3.14Å
65S44.4Very low57.9Low58 Ų58107.5 Ų107.541%0.40661%0.607SS.*  trans-49.5116.1153.8174.10000106.2G63 R67 A68G63-S65 VanDerWaalsContact C-N 3.33Å; G63-S65 PolarHBondContact O-N 2.85Å; G63-S65 VanDerWaalsContact O-N 3.07Å; S65-R67 PolarHBondContact O-N 2.97Å; S65-R67 PolarHBondContact OG-N 2.78Å; S65-A68 WeakPolarHBondContact O-CB 3.5Å; S65-A68 PolarHBondContact O-N 3.16Å
66V45.4Very low60.2Low133 Ų13396.6 Ų96.681%0.80657%0.571SS**THydrogen-bonded Turntrans-57.9-8.6178.11770000111.3I64I64-V66 PolarHBondContact O-N 3.14Å
67R51Low62.7Low216 Ų21685.9 Ų85.982%0.81553%0.53SS*.THydrogen-bonded Turntrans-76.7-23.8168.3-59.6-174.8-169.8-142.91.1114.8S65S65-R67 PolarHBondContact O-N 2.97Å; S65-R67 PolarHBondContact OG-N 2.78Å
68A52.8Low65.1Low45 Ų4580.9 Ų80.937%0.37249%0.494SS..THydrogen-bonded Turntrans-87.2-18.3-174.200000114.2S65 N70 S71S65-A68 WeakPolarHBondContact O-CB 3.5Å; S65-A68 PolarHBondContact O-N 3.16Å; A68-N70 PolarHBondContact O-N 2.81Å; A68-N70 VanDerWaalsContact O-N 3.14Å; A68-S71 WeakPolarHBondContact CA-OG 3.3Å; A68-S71 PolarHBondContact O-N 2.94Å; A68-S71 PolarHBondContact O-OG 2.79Å
69A50.5Low67.6Low75 Ų7576.6 Ų76.662%0.6246%0.462SS*.THydrogen-bonded Turntrans-62.6-22.4179.300000112.9
70N61Low69.8Low125 Ų12573 Ų7367%0.66844%0.437SS*.THydrogen-bonded Turntrans-124.125.8179.8-63.2-16.3000112.9A68A68-N70 PolarHBondContact O-N 2.81Å; A68-N70 VanDerWaalsContact O-N 3.14Å
71S73Confident72.1Confident40 Ų4070.4 Ų70.428%0.2842%0.416SS..  trans-97.9-7.6179.164.70000113.8A68A68-S71 WeakPolarHBondContact CA-OG 3.3Å; A68-S71 PolarHBondContact O-N 2.94Å; A68-S71 PolarHBondContact O-OG 2.79Å
72K87.7Confident74.3Confident159 Ų15967.3 Ų67.369%0.69139%0.392SS*.  trans-97.9118.8-178.7-60.5-178.4-177-179.60109.4I104K72-I104 HydrophobicContact CB-CG2 3.96Å
73V95.8Very high76.4Confident8 Ų867.9 Ų67.95%0.04839%0.392CS..  trans-138121.8176.7179.40000107.2Y107 F114 P117 Y122 F198 L199V73-Y107 HydrophobicContact CG1-CD2 3.96Å; V73-Y107 HydrophobicContact CG2-CD2 4.29Å; V73-Y107 HydrophobicContact CG2-CE2 4.23Å; V73-F114 HydrophobicContact CG1-CE2 3.8Å; V73-F114 HydrophobicContact CG1-CZ 3.75Å; V73-P117 HydrophobicContact CG1-CG 4.22Å; V73-P117 HydrophobicContact CG2-CG 3.68Å; V73-Y122 HydrophobicContact CG1-CE1 4.14Å; V73-F198 CarbonylContact O-C 3.53Å; V73-F198 VanDerWaalsContact O-CA 3.23Å; V73-F198 WeakPolarHBondContact O-CA 3.48Å; V73-F198 VanDerWaalsContact O-CB 3.31Å; V73-F198 WeakPolarHBondContact O-CB 3.28Å; V73-L199 HydrophobicContact CB-CB 3.76Å; V73-L199 HydrophobicContact CG2-CB 4.29Å; V73-L199 HydrophobicContact CG2-CD2 4.15Å; V73-L199 PolarHBondContact O-N 2.92Å
74A97.6Very high78.4Confident28 Ų2868.6 Ų68.623%0.23137%0.373CS..EExtended strand (participates in β ladder)trans-157.8144.2177.400000110.2V102 N103 I104 G197 F198A74-V102 HydrophobicContact CB-CG1 4.26Å; A74-N103 CarbonylContact O-C 3.52Å; A74-I104 HydrophobicContact CB-CB 4.39Å; A74-I104 HydrophobicContact CB-CG1 4.27Å; A74-I104 PolarHBondContact O-N 3.01Å; A74-G197 CarbonylContact C-O 3.57Å; A74-G197 WeakPolarHBondContact CA-O 3.31Å; A74-F198 HydrophobicContact CB-CB 3.82Å
75F98.7Very high80.2Confident5 Ų564.7 Ų64.72%0.02235%0.354CS..EExtended strand (participates in β ladder)trans-138.3154.616876.7-80.5000111.2V102 F108 F114 F124 F195 S196 G197F75-V102 CarbonylContact C-O 3.45Å; F75-V102 WeakPolarHBondContact CA-O 3.16Å; F75-F108 HydrophobicContact CB-CB 3.7Å; F75-F108 HydrophobicContact CB-CG 4.18Å; F75-F108 HydrophobicContact CD1-CD2 4.46Å; F75-F108 HydrophobicContact CD2-CB 4.08Å; F75-F108 HydrophobicContact CD2-CD1 4.26Å; F75-F108 AromaticContact CD2-CD2 3.34Å; F75-F108 HydrophobicContact CD2-CD2 3.34Å; F75-F108 AromaticContact CD2-CE2 3.71Å; F75-F108 HydrophobicContact CD2-CE2 3.71Å; F75-F108 AromaticContact CD2-CG 3.64Å; F75-F108 HydrophobicContact CD2-CG 3.64Å; F75-F108 HydrophobicContact CD2-CZ 4.28Å; F75-F108 AromaticContact CE2-CD2 3.51Å; F75-F108 HydrophobicContact CE2-CD2 3.51Å; F75-F108 AromaticContact CE2-CE2 3.5Å; F75-F108 HydrophobicContact CE2-CE2 3.5Å; F75-F108 HydrophobicContact CE2-CG 4.27Å; F75-F108 HydrophobicContact CE2-CZ 4.25Å; F75-F108 HydrophobicContact CG-CB 3.89Å; F75-F108 AromaticContact CG-CD2 3.86Å; F75-F108 HydrophobicContact CG-CD2 3.86Å; F75-F108 AromaticContact CG-CG 3.98Å; F75-F108 HydrophobicContact CG-CG 3.98Å; F75-F108 HydrophobicContact CZ-CD2 4.16Å; F75-F108 HydrophobicContact CZ-CE2 4.28Å; F75-F114 HydrophobicContact CD1-CB 4.45Å; F75-F114 AromaticContact CD1-CD2 3.38Å; F75-F114 HydrophobicContact CD1-CD2 3.38Å; F75-F114 AromaticContact CD1-CE2 3.86Å; F75-F114 HydrophobicContact CD1-CE2 3.86Å; F75-F114 HydrophobicContact CD1-CG 4.1Å; F75-F114 HydrophobicContact CE1-CB 3.93Å; F75-F114 AromaticContact CE1-CD2 3.54Å; F75-F114 HydrophobicContact CE1-CD2 3.54Å; F75-F114 HydrophobicContact CE1-CE2 4.2Å; F75-F114 AromaticContact CE1-CG 3.76Å; F75-F114 HydrophobicContact CE1-CG 3.76Å; F75-F114 HydrophobicContact CG-CD2 4.28Å; F75-F114 HydrophobicContact CZ-CB 4.2Å; F75-F124 HydrophobicContact CE1-CD1 4.04Å; F75-F124 AromaticContact CE1-CE1 3.77Å; F75-F124 HydrophobicContact CE1-CE1 3.77Å; F75-F124 HydrophobicContact CZ-CD1 4.05Å; F75-F124 HydrophobicContact CZ-CE1 4.12Å; F75-F195 AromaticContact CE2-CD1 3.75Å; F75-F195 HydrophobicContact CE2-CD1 3.75Å; F75-F195 HydrophobicContact CE2-CD2 4.27Å; F75-F195 AromaticContact CE2-CE1 3.88Å; F75-F195 HydrophobicContact CE2-CE1 3.88Å; F75-F195 HydrophobicContact CE2-CE2 4.37Å; F75-F195 AromaticContact CE2-CG 3.96Å; F75-F195 HydrophobicContact CE2-CG 3.96Å; F75-F195 HydrophobicContact CE2-CZ 4.19Å; F75-F195 HydrophobicContact CZ-CD1 4.15Å; F75-F195 HydrophobicContact CZ-CD2 4.23Å; F75-F195 AromaticContact CZ-CE1 3.84Å; F75-F195 HydrophobicContact CZ-CE1 3.84Å; F75-F195 AromaticContact CZ-CE2 3.93Å; F75-F195 HydrophobicContact CZ-CE2 3.93Å; F75-F195 HydrophobicContact CZ-CG 4.34Å; F75-F195 AromaticContact CZ-CZ 3.72Å; F75-F195 HydrophobicContact CZ-CZ 3.72Å; F75-S196 WeakPolarHBondContact O-CA 3.49Å; F75-S196 WeakPolarHBondContact O-CB 3.36Å; F75-G197 WeakPolarHBondContact CD1-O 3.43Å; F75-G197 PolarHBondContact N-O 3.11Å; F75-G197 PolarHBondContact O-N 3.13Å
76S98.7Very high82.1Confident31 Ų3165.2 Ų65.222%0.21736%0.358CS..EExtended strand (participates in β ladder)trans-149.2124.6171.3-178.10000108.1L101 V102S76-L101 PolarHBondContact O-N 3.43Å; S76-V102 PolarHBondContact N-O 3.14Å; S76-V102 PolarHBondContact O-N 3.05Å; S76-V102 VanDerWaalsContact O-N 3.16Å
77A98.7Very high83.9Confident0 Ų067.4 Ų67.40%036%0.359CS..EExtended strand (participates in β ladder)trans-131.4147.1-179.300000110.5F97 Q99 V100 F108 T194 F195A77-F97 HydrophobicContact CB-CB 3.66Å; A77-F97 HydrophobicContact CB-CG 4.14Å; A77-Q99 CarbonylContact C-O 3.54Å; A77-Q99 VanDerWaalsContact CA-O 3.3Å; A77-Q99 WeakPolarHBondContact CA-O 3.47Å; A77-V100 HydrophobicContact CB-CG2 4.33Å; A77-F108 HydrophobicContact CB-CD1 4.29Å; A77-F108 HydrophobicContact CB-CE1 3.53Å; A77-F108 HydrophobicContact CB-CZ 3.9Å; A77-T194 WeakPolarHBondContact O-CA 3.34Å; A77-F195 PolarHBondContact N-O 3.2Å; A77-F195 PolarHBondContact O-N 2.99Å
78V98.4Very high85.1Confident24 Ų2463.2 Ų63.215%0.14535%0.35CS..EExtended strand (participates in β ladder)trans-133.5151.2-177.4-56.70000110.8D98 Q99 L101 S193 T194V78-D98 PolarHBondContact O-N 3.33Å; V78-Q99 HydrophobicContact CG2-CB 3.8Å; V78-Q99 HydrophobicContact CG2-CG 4.06Å; V78-Q99 PolarHBondContact N-O 2.84Å; V78-Q99 PolarHBondContact O-N 2.77Å; V78-Q99 VanDerWaalsContact O-N 3.16Å; V78-L101 HydrophobicContact CG1-CD1 3.66Å; V78-L101 HydrophobicContact CG1-CG 4.24Å; V78-L101 HydrophobicContact CG2-CD1 4.29Å; V78-L101 HydrophobicContact CG2-CD2 4.28Å; V78-L101 HydrophobicContact CG2-CG 4.22Å; V78-S193 CarbonylContact C-O 3.45Å; V78-S193 VanDerWaalsContact CA-O 3.28Å; V78-S193 WeakPolarHBondContact CA-O 3.23Å; V78-T194 HydrophobicContact CG1-CG2 4.01Å
79R96.9Very high86.4Confident16 Ų1661.8 Ų61.86%0.0634%0.338CS..  trans-89.5112.5168.6-177.365.8171.1176.3-7.2108.6N81 H83 F97 D98 W190 Y192 S193R79-N81 WeakPolarHBondContact CG-O 3.27Å; R79-N81 VanDerWaalsContact CZ-OD1 3.3Å; R79-N81 PolarHBondContact NE-O 3.47Å; R79-N81 PolarHBondContact NH2-OD1 2.83Å; R79-H83 PolarHBondContact NH2-O 2.71Å; R79-F97 HydrophobicContact CB-CD1 4.5Å; R79-D98 WeakPolarHBondContact CA-OD1 3.35Å; R79-D98 VanDerWaalsContact CD-OD1 3.3Å; R79-D98 WeakPolarHBondContact CD-OD1 3.28Å; R79-D98 IonicContact NH1-OD1 3.7Å; R79-W190 WeakPolarHBondContact CB-O 3.26Å; R79-W190 VanDerWaalsContact CG-CD1 3.49Å; R79-W190 HydrophobicContact CG-CD2 4.26Å; R79-W190 HydrophobicContact CG-CG 3.96Å; R79-W190 WeakPolarHBondContact CG-O 3.39Å; R79-W190 VanDerWaalsContact CZ-CZ2 3.44Å; R79-Y192 PolarHBondContact O-N 3.43Å; R79-S193 PolarHBondContact N-O 2.76Å
80S95.2Very high87.9Confident49 Ų4962.3 Ų62.334%0.34333%0.33SS..  trans-89.5-15-173.182.20000114.1D98 Q191S80-D98 WeakPolarHBondContact CB-OD2 3.41Å; S80-D98 PolarHBondContact N-OD1 2.96Å; S80-D98 PolarHBondContact OG-OD2 2.81Å; S80-Q191 PolarHBondContact O-NE2 3.34Å
81N91.4Very high89.3Confident30 Ų3064.9 Ų64.916%0.1634%0.336CS..SBendtrans-137.3165.1-172.561.970.4000113.2R79 H83 D98R79-N81 WeakPolarHBondContact CG-O 3.27Å; R79-N81 VanDerWaalsContact CZ-OD1 3.3Å; R79-N81 PolarHBondContact NE-O 3.47Å; R79-N81 PolarHBondContact NH2-OD1 2.83Å; N81-H83 VanDerWaalsContact OD1-CB 3.25Å; N81-H83 WeakPolarHBondContact OD1-CB 3.34Å; N81-H83 VanDerWaalsContact OD1-CG 3.28Å; N81-H83 PolarHBondContact OD1-N 2.68Å; N81-H83 VanDerWaalsContact OD1-N 3.09Å; N81-H83 PolarHBondContact OD1-ND1 2.92Å; N81-D98 PolarHBondContact ND2-OD2 2.53Å; N81-D98 VanDerWaalsContact ND2-OD2 3.1Å
82N87.8Confident90.2Very high71 Ų7165.7 Ų65.738%0.3834%0.339SS..  trans-96.225176.5-69.8-51.2000113.1E84 Q191N82-E84 PolarHBondContact O-N 2.74Å; N82-Q191 PolarHBondContact ND2-OE1 3.35Å; N82-Q191 WeakPolarHBondContact OD1-CB 3.35Å; N82-Q191 PolarHBondContact OD1-N 2.79Å
83H88.2Confident90.5Very high132 Ų13263 Ų6361%0.61132%0.324SS*.PPolyproline II helixtrans-63.6141.7176.2-64.3155.3000110.7R79 N81 W190R79-H83 PolarHBondContact NH2-O 2.71Å; N81-H83 VanDerWaalsContact OD1-CB 3.25Å; N81-H83 WeakPolarHBondContact OD1-CB 3.34Å; N81-H83 VanDerWaalsContact OD1-CG 3.28Å; N81-H83 PolarHBondContact OD1-N 2.68Å; N81-H83 VanDerWaalsContact OD1-N 3.09Å; N81-H83 PolarHBondContact OD1-ND1 2.92Å; H83-W190 WeakPolarHBondContact O-CZ3 3.39Å
84E86.7Confident90.6Very high96 Ų9664.2 Ų64.245%0.44933%0.33SS..PPolyproline II helixtrans-56154.2174.7-70.4-62148.100111.9N82 S86 V187 G188N82-E84 PolarHBondContact O-N 2.74Å; E84-S86 PolarHBondContact O-N 3.24Å; E84-V187 VanDerWaalsContact OE2-CA 3.29Å; E84-V187 WeakPolarHBondContact OE2-CA 3.4Å; E84-G188 PolarHBondContact OE1-N 2.98Å
85P84Confident90.5Very high18 Ų1862.9 Ų62.912%0.11732%0.319CS..PPolyproline II helixtrans-57.4133.3173-18.529.4000111.2N90 L186 W190P85-N90 WeakPolarHBondContact CB-OD1 3.39Å; P85-L186 HydrophobicContact CG-CB 4.28Å; P85-W190 HydrophobicContact CB-CH2 4.24Å; P85-W190 HydrophobicContact CB-CZ3 4.2Å; P85-W190 HydrophobicContact CG-CH2 4.22Å; P85-W190 HydrophobicContact CG-CZ3 3.67Å
86S84.1Confident90.4Very high69 Ų6966.9 Ų66.948%0.48334%0.335SS..PPolyproline II helixtrans-64.6160.3172.2670000110.9E84 M88 S89 N90E84-S86 PolarHBondContact O-N 3.24Å; S86-M88 PolarHBondContact O-N 3.5Å; S86-S89 WeakPolarHBondContact O-CB 3.28Å; S86-S89 PolarHBondContact O-N 2.8Å; S86-S89 PolarHBondContact OG-N 2.91Å; S86-N90 PolarHBondContact O-N 3Å
87E83.1Confident90.3Very high178 Ų17865.6 Ų65.683%0.83233%0.325SS*.Hα-helixtrans-53.2-38.8174.5-67.1-171.8165.100112.3N90 K91E87-N90 PolarHBondContact O-N 2.88Å; E87-K91 PolarHBondContact O-N 2.85Å
88M76.9Confident90.2Very high128 Ų12868.1 Ų68.163%0.63134%0.339SS*.Hα-helixtrans-66.2-39.7176.9-168.96473.700112.4S86 N90 K91 T92S86-M88 PolarHBondContact O-N 3.5Å; M88-N90 VanDerWaalsContact C-N 3.34Å; M88-K91 PolarHBondContact O-N 2.81Å; M88-T92 HydrophobicContact CG-CG2 4.43Å; M88-T92 WeakPolarHBondContact O-CB 3.44Å; M88-T92 WeakPolarHBondContact O-CG2 3.5Å; M88-T92 PolarHBondContact O-N 2.96Å; M88-T92 PolarHBondContact O-OG1 3.08Å; M88-T92 HydrophobicContact SD-CG2 4.22Å
89S80.9Confident90.2Very high15 Ų1571.2 Ų71.211%0.10535%0.352CS..Hα-helixtrans-66.4-38174.8-177.30000111.1S86 K91 R93 I94S86-S89 WeakPolarHBondContact O-CB 3.28Å; S86-S89 PolarHBondContact O-N 2.8Å; S86-S89 PolarHBondContact OG-N 2.91Å; S89-K91 VanDerWaalsContact C-N 3.34Å; S89-K91 PolarHBondContact O-N 3.03Å; S89-R93 WeakPolarHBondContact O-CA 3.5Å; S89-R93 PolarHBondContact O-N 2.52Å; S89-I94 PolarHBondContact OG-O 3.48Å
90N82Confident90.2Very high86 Ų8673.5 Ų73.546%0.4637%0.367SS..Hα-helixtrans-64.4-37.3175.2-76-33.7000112.8P85 S86 E87 M88 R93P85-N90 WeakPolarHBondContact CB-OD1 3.39Å; S86-N90 PolarHBondContact O-N 3Å; E87-N90 PolarHBondContact O-N 2.88Å; M88-N90 VanDerWaalsContact C-N 3.34Å; N90-R93 PolarHBondContact O-NE 2.91Å
91K88.4Confident90.4Very high180 Ų18075.8 Ų75.878%0.78338%0.375SS*.Hα-helixtrans-72.9-47.8177.9-173.1176-179.4178.60112.7E87 M88 S89E87-K91 PolarHBondContact O-N 2.85Å; M88-K91 PolarHBondContact O-N 2.81Å; S89-K91 VanDerWaalsContact C-N 3.34Å; S89-K91 PolarHBondContact O-N 3.03Å
92T91.9Very high90.7Very high57 Ų5777.1 Ų77.135%0.3538%0.384SS..Hα-helixtrans-82.3-23.1-176.358.70000113.1M88 I94M88-T92 HydrophobicContact CG-CG2 4.43Å; M88-T92 WeakPolarHBondContact O-CB 3.44Å; M88-T92 WeakPolarHBondContact O-CG2 3.5Å; M88-T92 PolarHBondContact O-N 2.96Å; M88-T92 PolarHBondContact O-OG1 3.08Å; M88-T92 HydrophobicContact SD-CG2 4.22Å; T92-I94 PolarHBondContact O-N 2.82Å; T92-I94 PolarHBondContact OG1-N 3.16Å
93R95.1Very high91.2Very high102 Ų10275.7 Ų75.739%0.38538%0.377SS..  trans58.815.2-169.7-59.5-70.4-174.7142.6-0.3113.8S89 N90 K180 L181 G184S89-R93 WeakPolarHBondContact O-CA 3.5Å; S89-R93 PolarHBondContact O-N 2.52Å; N90-R93 PolarHBondContact O-NE 2.91Å; R93-K180 HydrophobicContact CB-CG 3.98Å; R93-K180 CarbonylContact O-C 3.57Å; R93-K180 WeakPolarHBondContact O-CA 3.44Å; R93-K180 WeakPolarHBondContact O-CG 3.34Å; R93-L181 WeakPolarHBondContact CB-O 3.31Å; R93-L181 PolarHBondContact O-N 3.1Å; R93-G184 PolarHBondContact NH1-O 2.87Å
94I97.2Very high91.6Very high33 Ų3373.6 Ų73.617%0.16937%0.369CS..BIsolated β-bridgetrans-74.5132.8173.4-63.2177.1000108.7S89 T92 Y178 L179S89-I94 PolarHBondContact OG-O 3.48Å; T92-I94 PolarHBondContact O-N 2.82Å; T92-I94 PolarHBondContact OG1-N 3.16Å; I94-Y178 HydrophobicContact CD1-CD2 4.08Å; I94-Y178 HydrophobicContact CD1-CE2 4.14Å; I94-Y178 HydrophobicContact CG1-CD2 3.86Å; I94-Y178 HydrophobicContact CG1-CE2 3.96Å; I94-Y178 HydrophobicContact CG2-CD2 4.44Å; I94-L179 WeakPolarHBondContact CA-O 3.32Å
95I96.8Very high91.9Very high1 Ų170.8 Ų70.81%0.00537%0.365CS..PPolyproline II helixtrans-81.3122.9176.8-56.7180000108.4F97 S112 V128 V139 L179 L181 L186I95-F97 HydrophobicContact CB-CE2 4.41Å; I95-F97 HydrophobicContact CG2-CE2 3.97Å; I95-F97 HydrophobicContact CG2-CZ 4.04Å; I95-S112 WeakPolarHBondContact O-CB 3.06Å; I95-V128 HydrophobicContact CD1-CG1 4.22Å; I95-V128 HydrophobicContact CD1-CG2 3.93Å; I95-V139 HydrophobicContact CD1-CB 4.38Å; I95-V139 HydrophobicContact CD1-CG1 3.68Å; I95-V139 HydrophobicContact CD1-CG2 3.85Å; I95-L179 HydrophobicContact CB-CB 4.19Å; I95-L179 HydrophobicContact CD1-CB 4.24Å; I95-L179 HydrophobicContact CG1-CB 4.43Å; I95-L179 PolarHBondContact N-O 2.75Å; I95-L181 HydrophobicContact CD1-CB 4.36Å; I95-L181 HydrophobicContact CG1-CB 4.2Å; I95-L186 HydrophobicContact CD1-CD1 4.35Å; I95-L186 HydrophobicContact CG1-CD1 4.15Å; I95-L186 HydrophobicContact CG2-CD1 4.19Å
96Y95.9Very high92.5Very high89 Ų8976.2 Ų76.235%0.34939%0.393SS..PPolyproline II helixtrans-97.7140.5-173.4-177.9-92.9000112.3D98 F110 S112 W190Y96-D98 HydrophobicContact CD1-CB 4.38Å; Y96-D98 HydrophobicContact CE1-CB 3.69Å; Y96-F110 WeakPolarHBondContact CE2-O 3.3Å; Y96-S112 WeakPolarHBondContact CA-OG 3.24Å; Y96-W190 PolarHBondContact O-NE1 3.07Å
97F97.3Very high93.1Very high4 Ų476.8 Ų76.82%0.01839%0.386CS..  trans-121.7117.2175.3-60.7-94.1000108.6A77 R79 I95 S112 L179 F195A77-F97 HydrophobicContact CB-CB 3.66Å; A77-F97 HydrophobicContact CB-CG 4.14Å; R79-F97 HydrophobicContact CB-CD1 4.5Å; I95-F97 HydrophobicContact CB-CE2 4.41Å; I95-F97 HydrophobicContact CG2-CE2 3.97Å; I95-F97 HydrophobicContact CG2-CZ 4.04Å; F97-S112 PolarHBondContact N-OG 3.29Å; F97-L179 HydrophobicContact CE2-CD1 4.04Å; F97-L179 HydrophobicContact CZ-CD1 3.89Å; F97-F195 HydrophobicContact CD1-CB 4.42Å; F97-F195 HydrophobicContact CD2-CB 4.18Å; F97-F195 HydrophobicContact CE1-CB 3.92Å; F97-F195 HydrophobicContact CE2-CB 3.64Å; F97-F195 HydrophobicContact CE2-CD1 4.21Å; F97-F195 HydrophobicContact CE2-CG 4.33Å; F97-F195 HydrophobicContact CZ-CB 3.5Å
98D95.7Very high93.8Very high53 Ų5368.7 Ų68.728%0.28335%0.348SS..SBendtrans-83.8-22.9-172.959.7-68.6000113.4V78 R79 S80 N81 Y96V78-D98 PolarHBondContact O-N 3.33Å; R79-D98 WeakPolarHBondContact CA-OD1 3.35Å; R79-D98 VanDerWaalsContact CD-OD1 3.3Å; R79-D98 WeakPolarHBondContact CD-OD1 3.28Å; R79-D98 IonicContact NH1-OD1 3.7Å; S80-D98 WeakPolarHBondContact CB-OD2 3.41Å; S80-D98 PolarHBondContact N-OD1 2.96Å; S80-D98 PolarHBondContact OG-OD2 2.81Å; N81-D98 PolarHBondContact ND2-OD2 2.53Å; N81-D98 VanDerWaalsContact ND2-OD2 3.1Å; Y96-D98 HydrophobicContact CD1-CB 4.38Å; Y96-D98 HydrophobicContact CE1-CB 3.69Å
99Q97.8Very high94.8Very high88 Ų8864.3 Ų64.341%0.41133%0.328SS..EExtended strand (participates in β ladder)trans-117.2116.8-177.2-175.6179.84.600110.4A77 V78 L101A77-Q99 CarbonylContact C-O 3.54Å; A77-Q99 VanDerWaalsContact CA-O 3.3Å; A77-Q99 WeakPolarHBondContact CA-O 3.47Å; V78-Q99 HydrophobicContact CG2-CB 3.8Å; V78-Q99 HydrophobicContact CG2-CG 4.06Å; V78-Q99 PolarHBondContact N-O 2.84Å; V78-Q99 PolarHBondContact O-N 2.77Å; V78-Q99 VanDerWaalsContact O-N 3.16Å; Q99-L101 HydrophobicContact CG-CD2 3.98Å
100V98.4Very high95.5Very high64 Ų6471.1 Ų71.139%0.38836%0.356SS..EExtended strand (participates in β ladder)trans-98.3113.8174.7-176.20000108.8A77 V102 N103 F108A77-V100 HydrophobicContact CB-CG2 4.33Å; V100-V102 VanDerWaalsContact CG1-O 3.27Å; V100-V102 WeakPolarHBondContact CG1-O 3.35Å; V100-N103 HydrophobicContact CG1-CB 3.81Å; V100-F108 HydrophobicContact CG1-CD1 4.48Å; V100-F108 HydrophobicContact CG2-CD1 3.97Å; V100-F108 HydrophobicContact CG2-CE1 4.14Å
101L98.3Very high96.1Very high98 Ų9871.1 Ų71.151%0.51335%0.353SS..EExtended strand (participates in β ladder)trans-83.4-37.1-179.8-57-179000111.9S76 V78 Q99S76-L101 PolarHBondContact O-N 3.43Å; V78-L101 HydrophobicContact CG1-CD1 3.66Å; V78-L101 HydrophobicContact CG1-CG 4.24Å; V78-L101 HydrophobicContact CG2-CD1 4.29Å; V78-L101 HydrophobicContact CG2-CD2 4.28Å; V78-L101 HydrophobicContact CG2-CG 4.22Å; Q99-L101 HydrophobicContact CG-CD2 3.98Å
102V98.2Very high96.5Very high58 Ų5862.5 Ų62.535%0.35232%0.316SS..EExtended strand (participates in β ladder)trans-136.2135.7-179.7-179.70000108.5A74 F75 S76 V100 I104A74-V102 HydrophobicContact CB-CG1 4.26Å; F75-V102 CarbonylContact C-O 3.45Å; F75-V102 WeakPolarHBondContact CA-O 3.16Å; S76-V102 PolarHBondContact N-O 3.14Å; S76-V102 PolarHBondContact O-N 3.05Å; S76-V102 VanDerWaalsContact O-N 3.16Å; V100-V102 VanDerWaalsContact CG1-O 3.27Å; V100-V102 WeakPolarHBondContact CG1-O 3.35Å; V102-I104 HydrophobicContact CG1-CD1 4.28Å; V102-I104 HydrophobicContact CG1-CG1 3.79Å
103N97.6Very high96.8Very high41 Ų4160.7 Ų60.722%0.21931%0.305CS..EExtended strand (participates in β ladder)trans-149.760.2173.6-157.3-2.1000111.5A74 V100 G105 N106 Y107 F108A74-N103 CarbonylContact O-C 3.52Å; V100-N103 HydrophobicContact CG1-CB 3.81Å; N103-G105 PolarHBondContact O-N 3.08Å; N103-G105 VanDerWaalsContact O-N 3.14Å; N103-N106 PolarHBondContact O-N 3.28Å; N103-N106 PolarHBondContact O-OD1 2.87Å; N103-N106 WeakPolarHBondContact OD1-CA 3.35Å; N103-Y107 PolarHBondContact OD1-N 2.87Å; N103-F108 PolarHBondContact ND2-O 2.8Å; N103-F108 PolarHBondContact OD1-N 3.3Å; N103-F108 VanDerWaalsContact OD1-N 3.14Å
104I96.6Very high97Very high88 Ų8855.9 Ų55.945%0.45129%0.287SS..EExtended strand (participates in β ladder)trans-66.9115.4179.7-52-56.1000109K72 A74 V102K72-I104 HydrophobicContact CB-CG2 3.96Å; A74-I104 HydrophobicContact CB-CB 4.39Å; A74-I104 HydrophobicContact CB-CG1 4.27Å; A74-I104 PolarHBondContact O-N 3.01Å; V102-I104 HydrophobicContact CG1-CD1 4.28Å; V102-I104 HydrophobicContact CG1-CG1 3.79Å
105G93.6Very high97.1Very high36 Ų3657.2 Ų57.237%0.37129%0.294SS..THydrogen-bonded Turntrans91.8-3.2-176.600000114.9N103 Y107N103-G105 PolarHBondContact O-N 3.08Å; N103-G105 VanDerWaalsContact O-N 3.14Å; G105-Y107 VanDerWaalsContact C-N 3.3Å; G105-Y107 WeakPolarHBondContact O-CD2 3.48Å; G105-Y107 WeakPolarHBondContact O-CE1 2.91Å; G105-Y107 VanDerWaalsContact O-CE2 3.3Å; G105-Y107 WeakPolarHBondContact O-CE2 3.36Å; G105-Y107 PolarHBondContact O-N 3.37Å
106N96.4Very high97.1Very high132 Ų13257.3 Ų57.371%0.70629%0.294SS*.SBendtrans5739178.7-59.7-42.1000114.1N103N103-N106 PolarHBondContact O-N 3.28Å; N103-N106 PolarHBondContact O-OD1 2.87Å; N103-N106 WeakPolarHBondContact OD1-CA 3.35Å
107Y97.4Very high97.1Very high82 Ų8254.2 Ų54.232%0.32229%0.285SS..  trans-98-3.8-176.7-63.2-55.8000114V73 N103 G105 F114 L115 P117V73-Y107 HydrophobicContact CG1-CD2 3.96Å; V73-Y107 HydrophobicContact CG2-CD2 4.29Å; V73-Y107 HydrophobicContact CG2-CE2 4.23Å; N103-Y107 PolarHBondContact OD1-N 2.87Å; G105-Y107 VanDerWaalsContact C-N 3.3Å; G105-Y107 WeakPolarHBondContact O-CD2 3.48Å; G105-Y107 WeakPolarHBondContact O-CE1 2.91Å; G105-Y107 VanDerWaalsContact O-CE2 3.3Å; G105-Y107 WeakPolarHBondContact O-CE2 3.36Å; G105-Y107 PolarHBondContact O-N 3.37Å; Y107-F114 CarbonylContact O-C 3.56Å; Y107-F114 WeakPolarHBondContact O-CA 3.38Å; Y107-L115 WeakPolarHBondContact CB-O 3.29Å; Y107-L115 PolarHBondContact O-N 2.64Å; Y107-P117 HydrophobicContact CD1-CB 3.83Å; Y107-P117 HydrophobicContact CD1-CG 4.31Å; Y107-P117 HydrophobicContact CD2-CB 3.94Å; Y107-P117 HydrophobicContact CD2-CG 3.66Å; Y107-P117 HydrophobicContact CE1-CB 3.47Å; Y107-P117 VanDerWaalsContact CE1-CB 3.47Å; Y107-P117 HydrophobicContact CE1-CG 4.28Å; Y107-P117 HydrophobicContact CE2-CB 3.54Å; Y107-P117 HydrophobicContact CE2-CG 3.55Å; Y107-P117 HydrophobicContact CG-CB 4.07Å; Y107-P117 HydrophobicContact CG-CG 4.04Å
108F98.5Very high97Very high8 Ų858 Ų584%0.03530%0.299CS..BIsolated β-bridgetrans-99.2118.8168.4-169.7-105.2000109.8F75 A77 V100 N103 S112 V113 F114 F195F75-F108 HydrophobicContact CB-CB 3.7Å; F75-F108 HydrophobicContact CB-CG 4.18Å; F75-F108 HydrophobicContact CD1-CD2 4.46Å; F75-F108 HydrophobicContact CD2-CB 4.08Å; F75-F108 HydrophobicContact CD2-CD1 4.26Å; F75-F108 AromaticContact CD2-CD2 3.34Å; F75-F108 HydrophobicContact CD2-CD2 3.34Å; F75-F108 AromaticContact CD2-CE2 3.71Å; F75-F108 HydrophobicContact CD2-CE2 3.71Å; F75-F108 AromaticContact CD2-CG 3.64Å; F75-F108 HydrophobicContact CD2-CG 3.64Å; F75-F108 HydrophobicContact CD2-CZ 4.28Å; F75-F108 AromaticContact CE2-CD2 3.51Å; F75-F108 HydrophobicContact CE2-CD2 3.51Å; F75-F108 AromaticContact CE2-CE2 3.5Å; F75-F108 HydrophobicContact CE2-CE2 3.5Å; F75-F108 HydrophobicContact CE2-CG 4.27Å; F75-F108 HydrophobicContact CE2-CZ 4.25Å; F75-F108 HydrophobicContact CG-CB 3.89Å; F75-F108 AromaticContact CG-CD2 3.86Å; F75-F108 HydrophobicContact CG-CD2 3.86Å; F75-F108 AromaticContact CG-CG 3.98Å; F75-F108 HydrophobicContact CG-CG 3.98Å; F75-F108 HydrophobicContact CZ-CD2 4.16Å; F75-F108 HydrophobicContact CZ-CE2 4.28Å; A77-F108 HydrophobicContact CB-CD1 4.29Å; A77-F108 HydrophobicContact CB-CE1 3.53Å; A77-F108 HydrophobicContact CB-CZ 3.9Å; V100-F108 HydrophobicContact CG1-CD1 4.48Å; V100-F108 HydrophobicContact CG2-CD1 3.97Å; V100-F108 HydrophobicContact CG2-CE1 4.14Å; N103-F108 PolarHBondContact ND2-O 2.8Å; N103-F108 PolarHBondContact OD1-N 3.3Å; N103-F108 VanDerWaalsContact OD1-N 3.14Å; F108-S112 VanDerWaalsContact CZ-CA 3.42Å; F108-V113 WeakPolarHBondContact CA-O 3.3Å; F108-F114 HydrophobicContact CD2-CB 4.13Å; F108-F195 AromaticContact CE2-CD1 3.78Å; F108-F195 HydrophobicContact CE2-CD1 3.78Å; F108-F195 AromaticContact CE2-CE1 3.84Å; F108-F195 HydrophobicContact CE2-CE1 3.84Å; F108-F195 HydrophobicContact CZ-CD1 4.11Å
109T97.4Very high97.1Very high36 Ų3659.3 Ų59.322%0.22130%0.303CS..  trans-86.1164.9-174.979.30000112E111 S112 V113 L115T109-E111 WeakPolarHBondContact CB-OE2 3.35Å; T109-E111 PolarHBondContact O-N 2.88Å; T109-E111 PolarHBondContact OG1-N 2.83Å; T109-E111 PolarHBondContact OG1-OE2 2.83Å; T109-S112 PolarHBondContact O-N 2.89Å; T109-V113 PolarHBondContact N-O 2.87Å; T109-V113 PolarHBondContact OG1-O 2.85Å; T109-L115 HydrophobicContact CG2-CD1 3.82Å; T109-L115 HydrophobicContact CG2-CG 4.11Å
110F94.3Very high97Very high157 Ų15755.1 Ų55.169%0.68928%0.283SS*.THydrogen-bonded Turntrans-64.5-25.3177.267.7-90.5000112Y96 S112Y96-F110 WeakPolarHBondContact CE2-O 3.3Å; F110-S112 PolarHBondContact O-N 3.11Å; F110-S112 VanDerWaalsContact O-N 3.08Å
111E94.8Very high96.9Very high86 Ų8653.3 Ų53.340%0.40227%0.272SS..THydrogen-bonded Turntrans-72.98.8173.1-53.491.2156.400113.7T109 V113T109-E111 WeakPolarHBondContact CB-OE2 3.35Å; T109-E111 PolarHBondContact O-N 2.88Å; T109-E111 PolarHBondContact OG1-N 2.83Å; T109-E111 PolarHBondContact OG1-OE2 2.83Å; E111-V113 VanDerWaalsContact C-N 3.33Å; E111-V113 HydrophobicContact CB-CG2 4.26Å
112S97.4Very high96.9Very high0 Ų048.6 Ų48.60%025%0.248CC..SBendtrans63.436.5-177.6-57.30000113.6I95 Y96 F97 F108 T109 F110I95-S112 WeakPolarHBondContact O-CB 3.06Å; Y96-S112 WeakPolarHBondContact CA-OG 3.24Å; F97-S112 PolarHBondContact N-OG 3.29Å; F108-S112 VanDerWaalsContact CZ-CA 3.42Å; T109-S112 PolarHBondContact O-N 2.89Å; F110-S112 PolarHBondContact O-N 3.11Å; F110-S112 VanDerWaalsContact O-N 3.08Å
113V98.5Very high96.9Very high18 Ų1846.3 Ų46.311%0.10923%0.234CC..EExtended strand (participates in β ladder)trans-114.1128.7177.8-177.90000109.5F108 T109 E111 L115 K176 Y178F108-V113 WeakPolarHBondContact CA-O 3.3Å; T109-V113 PolarHBondContact N-O 2.87Å; T109-V113 PolarHBondContact OG1-O 2.85Å; E111-V113 VanDerWaalsContact C-N 3.33Å; E111-V113 HydrophobicContact CB-CG2 4.26Å; V113-L115 HydrophobicContact CG1-CD2 4.19Å; V113-K176 HydrophobicContact CG1-CB 4.04Å; V113-Y178 HydrophobicContact CG1-CD1 4.3Å; V113-Y178 HydrophobicContact CG2-CD1 4.46Å; V113-Y178 HydrophobicContact CG2-CG 4.34Å
114F98.8Very high97Very high1 Ų144.4 Ų44.40%0.00422%0.224CC..EExtended strand (participates in β ladder)trans-87.1130.4168.1177.9-101000110.1V73 F75 Y107 F108 Y122 F124 L171 K176 V177V73-F114 HydrophobicContact CG1-CE2 3.8Å; V73-F114 HydrophobicContact CG1-CZ 3.75Å; F75-F114 HydrophobicContact CD1-CB 4.45Å; F75-F114 AromaticContact CD1-CD2 3.38Å; F75-F114 HydrophobicContact CD1-CD2 3.38Å; F75-F114 AromaticContact CD1-CE2 3.86Å; F75-F114 HydrophobicContact CD1-CE2 3.86Å; F75-F114 HydrophobicContact CD1-CG 4.1Å; F75-F114 HydrophobicContact CE1-CB 3.93Å; F75-F114 AromaticContact CE1-CD2 3.54Å; F75-F114 HydrophobicContact CE1-CD2 3.54Å; F75-F114 HydrophobicContact CE1-CE2 4.2Å; F75-F114 AromaticContact CE1-CG 3.76Å; F75-F114 HydrophobicContact CE1-CG 3.76Å; F75-F114 HydrophobicContact CG-CD2 4.28Å; F75-F114 HydrophobicContact CZ-CB 4.2Å; Y107-F114 CarbonylContact O-C 3.56Å; Y107-F114 WeakPolarHBondContact O-CA 3.38Å; F108-F114 HydrophobicContact CD2-CB 4.13Å; F114-Y122 AromaticContact CE1-CD1 3.99Å; F114-Y122 HydrophobicContact CE1-CD1 3.99Å; F114-Y122 HydrophobicContact CE1-CE1 4.03Å; F114-Y122 AromaticContact CZ-CD1 3.92Å; F114-Y122 HydrophobicContact CZ-CD1 3.92Å; F114-Y122 AromaticContact CZ-CE1 3.75Å; F114-Y122 HydrophobicContact CZ-CE1 3.75Å; F114-F124 HydrophobicContact CB-CE1 4.39Å; F114-F124 AromaticContact CD1-CE1 3.74Å; F114-F124 HydrophobicContact CD1-CE1 3.74Å; F114-F124 AromaticContact CD1-CZ 3.69Å; F114-F124 HydrophobicContact CD1-CZ 3.69Å; F114-F124 HydrophobicContact CE1-CE1 4.24Å; F114-F124 AromaticContact CE1-CZ 3.91Å; F114-F124 HydrophobicContact CE1-CZ 3.91Å; F114-F124 HydrophobicContact CG-CE1 4.1Å; F114-F124 HydrophobicContact CG-CZ 4.5Å; F114-L171 HydrophobicContact CE1-CD1 4.14Å; F114-K176 WeakPolarHBondContact O-CA 3.29Å; F114-V177 HydrophobicContact CB-CB 4.36Å; F114-V177 HydrophobicContact CD1-CB 4.35Å; F114-V177 PolarHBondContact N-O 2.94Å; F114-V177 PolarHBondContact O-N 2.92Å
115L98.4Very high97Very high62 Ų6243.2 Ų43.233%0.32522%0.218SC..EExtended strand (participates in β ladder)trans-109.7114.7175.5-62.7178.2000109.5Y107 T109 V113 P117 K176Y107-L115 WeakPolarHBondContact CB-O 3.29Å; Y107-L115 PolarHBondContact O-N 2.64Å; T109-L115 HydrophobicContact CG2-CD1 3.82Å; T109-L115 HydrophobicContact CG2-CG 4.11Å; V113-L115 HydrophobicContact CG1-CD2 4.19Å; L115-P117 VanDerWaalsContact O-CD 3.28Å; L115-P117 WeakPolarHBondContact O-CD 3.3Å; L115-K176 HydrophobicContact CD2-CB 4.35Å; L115-K176 HydrophobicContact CD2-CD 4.08Å; L115-K176 HydrophobicContact CD2-CG 3.63Å
116S97.8Very high97.3Very high2 Ų241.5 Ų41.51%0.01420%0.201CC..  trans-63.3120179.3176.90000110.9R118 Y122 E172 K173 E174 D175S116-R118 VanDerWaalsContact C-N 3.31Å; S116-R118 PolarHBondContact O-N 2.94Å; S116-R118 PolarHBondContact OG-O 2.82Å; S116-Y122 PolarHBondContact OG-OH 2.83Å; S116-E172 WeakPolarHBondContact CB-O 2.84Å; S116-E172 PolarHBondContact OG-O 3.29Å; S116-K173 CarbonylContact O-C 3.6Å; S116-E174 PolarHBondContact O-N 3.2Å; S116-D175 PolarHBondContact N-O 3.1Å
117P96.6Very high97.3Very high25 Ų2538.8 Ų38.816%0.16218%0.184CC..  trans-77.4-19.3-179.129-35.4000113.9V73 Y107 L115 Y122 K173V73-P117 HydrophobicContact CG1-CG 4.22Å; V73-P117 HydrophobicContact CG2-CG 3.68Å; Y107-P117 HydrophobicContact CD1-CB 3.83Å; Y107-P117 HydrophobicContact CD1-CG 4.31Å; Y107-P117 HydrophobicContact CD2-CB 3.94Å; Y107-P117 HydrophobicContact CD2-CG 3.66Å; Y107-P117 HydrophobicContact CE1-CB 3.47Å; Y107-P117 VanDerWaalsContact CE1-CB 3.47Å; Y107-P117 HydrophobicContact CE1-CG 4.28Å; Y107-P117 HydrophobicContact CE2-CB 3.54Å; Y107-P117 HydrophobicContact CE2-CG 3.55Å; Y107-P117 HydrophobicContact CG-CB 4.07Å; Y107-P117 HydrophobicContact CG-CG 4.04Å; L115-P117 VanDerWaalsContact O-CD 3.28Å; L115-P117 WeakPolarHBondContact O-CD 3.3Å; P117-Y122 WeakPolarHBondContact CD-OH 3.11Å; P117-K173 WeakPolarHBondContact O-CG 3.48Å
118R95.4Very high97.3Very high82 Ų8234.9 Ų34.931%0.30917%0.168SC..SBendtrans-163.3161.8-173.365.7-177.2-61.9169.82.2111.5S116 Y122 P202S116-R118 VanDerWaalsContact C-N 3.31Å; S116-R118 PolarHBondContact O-N 2.94Å; S116-R118 PolarHBondContact OG-O 2.82Å; R118-Y122 PolarHBondContact O-OH 3.3Å; R118-P202 VanDerWaalsContact CZ-CB 3.42Å
119K97.1Very high97Very high82 Ų8236.4 Ų36.436%0.35718%0.177SC..SBendtrans-60134.3171.8-171.6178.9153.31420111.9Y170 L171 E172 L203K119-Y170 VanDerWaalsContact CD-OH 3.3Å; K119-Y170 WeakPolarHBondContact CD-OH 3.46Å; K119-Y170 WeakPolarHBondContact CE-OH 3.33Å; K119-Y170 HydrophobicContact CG-CE2 4.21Å; K119-Y170 PolarHBondContact NZ-OH 3.01Å; K119-L171 VanDerWaalsContact CA-O 3.24Å; K119-L171 WeakPolarHBondContact CA-O 3.49Å; K119-E172 IonicContact NZ-OE1 3.95Å; K119-L203 HydrophobicContact CD-CB 4.41Å; K119-L203 HydrophobicContact CG-CB 4.11Å; K119-L203 PolarHBondContact O-N 3.49Å; K119-L203 VanDerWaalsContact O-N 3.11Å
120G95.8Very high96.5Very high0 Ų034.8 Ų34.80%017%0.166CC..EExtended strand (participates in β ladder)trans169.9-178.9179.900000114.1Y170 L171 F201G120-Y170 WeakPolarHBondContact O-CA 3.4Å; G120-L171 PolarHBondContact N-O 2.95Å; G120-L171 VanDerWaalsContact N-O 3.08Å; G120-L171 PolarHBondContact O-N 2.98Å; G120-F201 WeakPolarHBondContact CA-O 3.42Å
121V96.8Very high95.6Very high25 Ų2527.6 Ų27.615%0.15214%0.135CC..EExtended strand (participates in β ladder)trans-101.3125.8172.8177.80000109.5L168 L169 V200 F201 L203V121-L168 HydrophobicContact CG1-CB 4.3Å; V121-L169 CarbonylContact C-O 3.49Å; V121-L169 WeakPolarHBondContact CA-O 2.97Å; V121-V200 HydrophobicContact CG1-CG2 4.48Å; V121-V200 WeakPolarHBondContact O-CB 3.44Å; V121-V200 PolarHBondContact O-N 3.07Å; V121-F201 HydrophobicContact CB-CD2 4.35Å; V121-F201 HydrophobicContact CB-CE1 4.26Å; V121-F201 HydrophobicContact CB-CE2 3.82Å; V121-F201 HydrophobicContact CB-CZ 3.76Å; V121-F201 HydrophobicContact CG1-CZ 4.33Å; V121-F201 HydrophobicContact CG2-CD2 4.34Å; V121-F201 HydrophobicContact CG2-CE2 3.46Å; V121-F201 VanDerWaalsContact CG2-CE2 3.46Å; V121-F201 HydrophobicContact CG2-CZ 3.58Å; V121-F201 PolarHBondContact N-O 3.07Å; V121-L203 HydrophobicContact CG2-CD1 4.34Å
122Y97.9Very high94.2Very high0 Ų031.9 Ų31.90%015%0.149CC..EExtended strand (participates in β ladder)trans-118.5144.1-176.3-66.2-100.1000110.8V73 F114 S116 P117 R118 L168 L169 L171 F198 L199V73-Y122 HydrophobicContact CG1-CE1 4.14Å; F114-Y122 AromaticContact CE1-CD1 3.99Å; F114-Y122 HydrophobicContact CE1-CD1 3.99Å; F114-Y122 HydrophobicContact CE1-CE1 4.03Å; F114-Y122 AromaticContact CZ-CD1 3.92Å; F114-Y122 HydrophobicContact CZ-CD1 3.92Å; F114-Y122 AromaticContact CZ-CE1 3.75Å; F114-Y122 HydrophobicContact CZ-CE1 3.75Å; S116-Y122 PolarHBondContact OG-OH 2.83Å; P117-Y122 WeakPolarHBondContact CD-OH 3.11Å; R118-Y122 PolarHBondContact O-OH 3.3Å; Y122-L168 CarbonylContact O-C 3.56Å; Y122-L168 VanDerWaalsContact O-CA 3.26Å; Y122-L168 WeakPolarHBondContact O-CA 3.45Å; Y122-L169 PolarHBondContact N-O 2.95Å; Y122-L169 PolarHBondContact O-N 3.43Å; Y122-L171 HydrophobicContact CD2-CB 3.76Å; Y122-L171 HydrophobicContact CD2-CD1 3.6Å; Y122-L171 HydrophobicContact CD2-CG 3.73Å; Y122-L171 HydrophobicContact CE2-CB 3.83Å; Y122-L171 HydrophobicContact CE2-CD1 4.11Å; Y122-L171 HydrophobicContact CE2-CG 4.28Å; Y122-L171 HydrophobicContact CG-CD1 3.82Å; Y122-L171 HydrophobicContact CG-CG 4.35Å; Y122-F198 CarbonylContact C-O 3.59Å; Y122-F198 VanDerWaalsContact CA-O 3.29Å; Y122-F198 WeakPolarHBondContact CA-O 3.37Å; Y122-L199 HydrophobicContact CD1-CB 3.96Å; Y122-L199 HydrophobicContact CD1-CD1 4.23Å; Y122-L199 HydrophobicContact CD2-CD1 4.24Å; Y122-L199 HydrophobicContact CE1-CB 3.68Å; Y122-L199 HydrophobicContact CE1-CD1 3.84Å; Y122-L199 HydrophobicContact CE1-CG 4.29Å; Y122-L199 HydrophobicContact CE2-CD1 3.86Å; Y122-L199 HydrophobicContact CG-CD1 4.42Å
123S98Very high92.7Very high10 Ų1032.9 Ų32.97%0.0715%0.154CC..EExtended strand (participates in β ladder)trans-100.5136.9170.7-173.50000110G197 F198S123-G197 CarbonylContact O-C 3.5Å; S123-G197 WeakPolarHBondContact O-CA 3.44Å; S123-F198 PolarHBondContact N-O 3.07Å; S123-F198 PolarHBondContact O-N 2.74Å
124F98.6Very high91.2Very high0 Ų037.2 Ų37.20%019%0.185CC..EExtended strand (participates in β ladder)trans-129.2137.5172.4-62.2-83.4000110.3F75 F114 L141 G166 V167 L169 L171 V177 F195 S196F75-F124 HydrophobicContact CE1-CD1 4.04Å; F75-F124 AromaticContact CE1-CE1 3.77Å; F75-F124 HydrophobicContact CE1-CE1 3.77Å; F75-F124 HydrophobicContact CZ-CD1 4.05Å; F75-F124 HydrophobicContact CZ-CE1 4.12Å; F114-F124 HydrophobicContact CB-CE1 4.39Å; F114-F124 AromaticContact CD1-CE1 3.74Å; F114-F124 HydrophobicContact CD1-CE1 3.74Å; F114-F124 AromaticContact CD1-CZ 3.69Å; F114-F124 HydrophobicContact CD1-CZ 3.69Å; F114-F124 HydrophobicContact CE1-CE1 4.24Å; F114-F124 AromaticContact CE1-CZ 3.91Å; F114-F124 HydrophobicContact CE1-CZ 3.91Å; F114-F124 HydrophobicContact CG-CE1 4.1Å; F114-F124 HydrophobicContact CG-CZ 4.5Å; F124-L141 HydrophobicContact CB-CD1 3.62Å; F124-L141 HydrophobicContact CG-CD1 4.14Å; F124-G166 CarbonylContact O-C 3.54Å; F124-G166 WeakPolarHBondContact O-CA 3.34Å; F124-V167 PolarHBondContact N-O 3.31Å; F124-V167 PolarHBondContact O-N 2.81Å; F124-L169 HydrophobicContact CD2-CD1 4.03Å; F124-L169 HydrophobicContact CD2-CG 4.33Å; F124-L169 HydrophobicContact CE2-CB 4.36Å; F124-L169 HydrophobicContact CE2-CD1 4.13Å; F124-L171 HydrophobicContact CE2-CD1 3.89Å; F124-L171 HydrophobicContact CZ-CD1 3.78Å; F124-V177 HydrophobicContact CD1-CG1 4.01Å; F124-V177 HydrophobicContact CD2-CG1 4.38Å; F124-V177 HydrophobicContact CE1-CB 4.01Å; F124-V177 HydrophobicContact CE1-CG1 3.8Å; F124-V177 HydrophobicContact CE1-CG2 4.39Å; F124-V177 HydrophobicContact CE2-CG1 4.2Å; F124-V177 HydrophobicContact CE2-CG2 4.13Å; F124-V177 HydrophobicContact CG-CG1 4.29Å; F124-V177 HydrophobicContact CZ-CB 3.93Å; F124-V177 HydrophobicContact CZ-CG1 3.92Å; F124-V177 HydrophobicContact CZ-CG2 3.8Å; F124-F195 HydrophobicContact CB-CE2 4.48Å; F124-F195 HydrophobicContact CD1-CE2 4.06Å; F124-F195 HydrophobicContact CD1-CZ 4.21Å; F124-S196 WeakPolarHBondContact CA-O 3.48Å
125N98.3Very high90.3Very high63 Ų6341.7 Ų41.734%0.33721%0.206SC..EExtended strand (participates in β ladder)trans-134.2142.9170.8-74.9-74.2000109.5S196N125-S196 PolarHBondContact N-O 2.88Å; N125-S196 PolarHBondContact O-N 3.17Å
126F98.6Very high89.8Confident0 Ų042.3 Ų42.30%021%0.213CC..EExtended strand (participates in β ladder)trans-142.1151.1172.870.5-92.4000112.1V128 V139 L141 I149 A151 A163 T164 N165 L179 T194 F195F126-V128 HydrophobicContact CD2-CG2 4.18Å; F126-V139 HydrophobicContact CD2-CG1 4.15Å; F126-V139 HydrophobicContact CE2-CB 4.06Å; F126-V139 HydrophobicContact CE2-CG1 3.68Å; F126-V139 HydrophobicContact CZ-CG1 4.21Å; F126-L141 HydrophobicContact CD1-CB 4.49Å; F126-L141 HydrophobicContact CD1-CD1 4.31Å; F126-L141 HydrophobicContact CE1-CB 4.07Å; F126-I149 HydrophobicContact CE1-CD1 3.9Å; F126-I149 HydrophobicContact CE1-CG1 4.36Å; F126-A151 HydrophobicContact CE2-CB 3.71Å; F126-A151 HydrophobicContact CZ-CB 3.73Å; F126-A163 WeakPolarHBondContact CE2-O 3.26Å; F126-T164 WeakPolarHBondContact O-CA 3.48Å; F126-N165 WeakPolarHBondContact CD1-O 3.48Å; F126-N165 HydrophobicContact CE1-CB 3.82Å; F126-N165 HydrophobicContact CE2-CB 4.49Å; F126-N165 HydrophobicContact CZ-CB 3.7Å; F126-N165 PolarHBondContact N-O 3.2Å; F126-N165 PolarHBondContact O-N 3.35Å; F126-L179 HydrophobicContact CB-CD1 3.54Å; F126-L179 HydrophobicContact CB-CD2 4.1Å; F126-L179 HydrophobicContact CB-CG 4.44Å; F126-L179 HydrophobicContact CD1-CD2 3.68Å; F126-L179 HydrophobicContact CD2-CD1 4.16Å; F126-L179 HydrophobicContact CD2-CD2 4.41Å; F126-L179 HydrophobicContact CE1-CD2 4.16Å; F126-L179 HydrophobicContact CG-CD1 3.86Å; F126-L179 HydrophobicContact CG-CD2 3.81Å; F126-T194 WeakPolarHBondContact CA-O 3.17Å; F126-F195 HydrophobicContact CB-CD2 4Å
127H97.8Very high89.6Confident76 Ų7642.2 Ų42.235%0.35221%0.212SC..EExtended strand (participates in β ladder)trans-136.6110.1173-57.5-91.5000106.6T164 S193 T194H127-T164 WeakPolarHBondContact CE1-CG2 3.33Å; H127-T164 WeakPolarHBondContact ND1-CG2 3.15Å; H127-T164 PolarHBondContact ND1-OG1 2.99Å; H127-S193 CarbonylContact O-C 3.59Å; H127-S193 WeakPolarHBondContact O-CA 3.29Å; H127-S193 WeakPolarHBondContact O-CB 3.4Å; H127-T194 PolarHBondContact CD2-OG1 3.09Å; H127-T194 VanDerWaalsContact CD2-OG1 3.29Å; H127-T194 PolarHBondContact N-O 2.76Å; H127-T194 PolarHBondContact O-N 3.17Å
128V96.6Very high89.6Confident0 Ų042.2 Ų42.20%021%0.209CC..EExtended strand (participates in β ladder)trans-105108.1175.7176.90000108.5I95 F126 I137 V139 A162 A163 L179 L186 S193I95-V128 HydrophobicContact CD1-CG1 4.22Å; I95-V128 HydrophobicContact CD1-CG2 3.93Å; F126-V128 HydrophobicContact CD2-CG2 4.18Å; V128-I137 HydrophobicContact CG1-CD1 4.4Å; V128-V139 HydrophobicContact CB-CG2 4.04Å; V128-V139 HydrophobicContact CG1-CG2 4.12Å; V128-V139 HydrophobicContact CG2-CG1 4.02Å; V128-V139 HydrophobicContact CG2-CG2 4.18Å; V128-A162 CarbonylContact O-C 3.53Å; V128-A162 WeakPolarHBondContact O-CA 3.39Å; V128-A163 HydrophobicContact CB-CB 4.47Å; V128-A163 PolarHBondContact N-O 3.34Å; V128-A163 PolarHBondContact O-N 3.17Å; V128-L179 HydrophobicContact CG2-CD1 4.15Å; V128-L186 HydrophobicContact CG1-CD2 4.16Å; V128-S193 WeakPolarHBondContact CA-OG 3.41Å
129I92.6Very high89.7Confident40 Ų4038.3 Ų38.321%0.20520%0.195CC..EExtended strand (participates in β ladder)trans-92.5127.6-177.9-63.6172.6000108.1A162 W190 S193I129-A162 HydrophobicContact CG1-CB 3.96Å; I129-W190 CarbonylContact O-C 3.56Å; I129-W190 WeakPolarHBondContact O-CA 2.97Å; I129-W190 VanDerWaalsContact O-CB 3.25Å; I129-W190 WeakPolarHBondContact O-CB 3.39Å; I129-S193 PolarHBondContact N-OG 2.87Å; I129-S193 PolarHBondContact O-OG 2.92Å
130K86Confident89.8Confident1 Ų134.6 Ų34.60%0.00418%0.179CC..EExtended strand (participates in β ladder)trans-114.6129.9170.2-175.1173.2179.3177.20109.6I137 R160 E161 N185 L186K130-I137 HydrophobicContact CB-CD1 4.19Å; K130-I137 HydrophobicContact CD-CG2 3.9Å; K130-R160 WeakPolarHBondContact O-CA 3.25Å; K130-E161 PolarHBondContact N-O 2.83Å; K130-E161 PolarHBondContact O-N 3.25Å; K130-N185 WeakPolarHBondContact CE-O 3.34Å; K130-N185 PolarHBondContact NZ-O 2.96Å; K130-N185 PolarHBondContact NZ-OD1 2.86Å; K130-N185 VanDerWaalsContact NZ-OD1 3.13Å; K130-L186 HydrophobicContact CD-CD2 4.48Å
131V75.7Confident89.9Confident7 Ų734.6 Ų34.64%0.04218%0.179CC..EExtended strand (participates in β ladder)trans-98.5140.4172.1-167.80000107.8R160V131-R160 HydrophobicContact CB-CG 4.42Å; V131-R160 HydrophobicContact CG1-CG 4.04Å; V131-R160 HydrophobicContact CG2-CG 4.18Å
132Y66.4Low90Very high176 Ų17633.7 Ų33.769%0.6917%0.173SC*.SBendtrans65.886.8-178.1-51.3-71.8000113.1T159Y132-T159 PolarHBondContact N-O 2.83Å; Y132-T159 VanDerWaalsContact N-O 3.1Å
133Q64.7Low90.1Very high20 Ų2035.4 Ų35.49%0.09318%0.182CC..  trans-102.299.8-170.1-164.7159.99.600111.6A153 E161Q133-A153 PolarHBondContact NE2-O 3.48Å; Q133-A153 VanDerWaalsContact NE2-O 3.17Å; Q133-E161 PolarHBondContact NE2-OE2 3.43Å; Q133-E161 PolarHBondContact OE1-OE2 3.14Å
134S67.3Low90.1Very high110 Ų11038.9 Ų38.977%0.76920%0.2SC*.SBendtrans-100-10.3167.359.50000113
135Q80.1Confident90.1Very high94 Ų9441 Ų4144%0.43922%0.221SC..SBendtrans-147.7138.6-173.7-168.6178.230.400111.9N185Q135-N185 PolarHBondContact OE1-ND2 2.68Å; Q135-N185 VanDerWaalsContact OE1-ND2 3.07Å
136T88.5Confident90.1Very high76 Ų7645.4 Ų45.447%0.46624%0.237SC..  trans-60.6132.1170.6-47.70000111.8A153T136-A153 CarbonylContact C-O 3.54Å; T136-A153 VanDerWaalsContact CA-O 3.28Å; T136-A153 WeakPolarHBondContact CA-O 3.22Å
137I93.4Very high90.1Very high0 Ų049.2 Ų49.20%026%0.262CS..EExtended strand (participates in β ladder)trans-105.2148.6171.662.5168.8000110.9V128 K130 V139 F152 A153 A163 L181 K183 N185 L186V128-I137 HydrophobicContact CG1-CD1 4.4Å; K130-I137 HydrophobicContact CB-CD1 4.19Å; K130-I137 HydrophobicContact CD-CG2 3.9Å; I137-V139 HydrophobicContact CD1-CG2 4.34Å; I137-F152 WeakPolarHBondContact O-CA 3.09Å; I137-A153 HydrophobicContact CD1-CB 4.16Å; I137-A153 HydrophobicContact CG1-CB 3.81Å; I137-A153 WeakPolarHBondContact CG1-O 3.37Å; I137-A153 PolarHBondContact N-O 3.09Å; I137-A153 PolarHBondContact O-N 3.48Å; I137-A153 VanDerWaalsContact O-N 3.17Å; I137-A163 HydrophobicContact CD1-CB 4.28Å; I137-L181 HydrophobicContact CB-CD1 4.02Å; I137-L181 HydrophobicContact CG2-CD1 4.27Å; I137-K183 WeakPolarHBondContact CA-O 3.35Å; I137-N185 WeakPolarHBondContact CG2-O 3.44Å; I137-L186 HydrophobicContact CD1-CD2 4.23Å
138Q96.1Very high90.1Very high24 Ų2448.4 Ų48.411%0.11226%0.263CS..EExtended strand (participates in β ladder)trans-124.2121.5168.5178.8-179.2-1100108.7N140 A151 F152 E182 K183Q138-N140 PolarHBondContact NE2-OD1 3.42Å; Q138-N140 VanDerWaalsContact NE2-OD1 3.16Å; Q138-A151 WeakPolarHBondContact CA-O 3.14Å; Q138-F152 HydrophobicContact CB-CD1 3.85Å; Q138-F152 HydrophobicContact CB-CE1 3.75Å; Q138-F152 VanDerWaalsContact CD-CE1 3.44Å; Q138-F152 HydrophobicContact CG-CD1 3.92Å; Q138-F152 HydrophobicContact CG-CE1 3.42Å; Q138-F152 VanDerWaalsContact CG-CE1 3.42Å; Q138-F152 HydrophobicContact CG-CZ 3.92Å; Q138-E182 HydrophobicContact CB-CB 4.43Å; Q138-E182 HydrophobicContact CG-CB 4.2Å; Q138-E182 PolarHBondContact O-N 3.23Å; Q138-K183 HydrophobicContact CB-CB 3.8Å; Q138-K183 HydrophobicContact CB-CD 4.42Å; Q138-K183 HydrophobicContact CB-CG 4.13Å; Q138-K183 PolarHBondContact N-O 2.73Å; Q138-K183 VanDerWaalsContact N-O 3.07Å; Q138-K183 PolarHBondContact O-N 2.99Å
139V98.1Very high90.2Very high0 Ų049.9 Ų49.90%027%0.27CS..EExtended strand (participates in β ladder)trans-110.6125.9177.6179.90000109.1I95 F126 V128 I137 S150 A151 A163 L179 L181I95-V139 HydrophobicContact CD1-CB 4.38Å; I95-V139 HydrophobicContact CD1-CG1 3.68Å; I95-V139 HydrophobicContact CD1-CG2 3.85Å; F126-V139 HydrophobicContact CD2-CG1 4.15Å; F126-V139 HydrophobicContact CE2-CB 4.06Å; F126-V139 HydrophobicContact CE2-CG1 3.68Å; F126-V139 HydrophobicContact CZ-CG1 4.21Å; V128-V139 HydrophobicContact CB-CG2 4.04Å; V128-V139 HydrophobicContact CG1-CG2 4.12Å; V128-V139 HydrophobicContact CG2-CG1 4.02Å; V128-V139 HydrophobicContact CG2-CG2 4.18Å; I137-V139 HydrophobicContact CD1-CG2 4.34Å; V139-S150 CarbonylContact O-C 3.49Å; V139-S150 VanDerWaalsContact O-CA 3.31Å; V139-S150 WeakPolarHBondContact O-CA 3.23Å; V139-A151 PolarHBondContact N-O 2.95Å; V139-A151 PolarHBondContact O-N 2.86Å; V139-A163 HydrophobicContact CB-CB 4.27Å; V139-A163 HydrophobicContact CG2-CB 3.95Å; V139-L179 HydrophobicContact CG1-CB 4.34Å; V139-L181 HydrophobicContact CG2-CD1 4.23Å
140N98.7Very high90.5Very high5 Ų550 Ų503%0.02727%0.274CS..EExtended strand (participates in β ladder)trans-109.2135.5176.5-67.4-13.6000110.1Q138 M142 P147 I149 S150 L179 K180 E182Q138-N140 PolarHBondContact NE2-OD1 3.42Å; Q138-N140 VanDerWaalsContact NE2-OD1 3.16Å; N140-M142 HydrophobicContact CB-SD 3.6Å; N140-M142 VanDerWaalsContact CB-SD 3.6Å; N140-P147 HydrophobicContact CB-CB 4.11Å; N140-I149 WeakPolarHBondContact CA-O 3.25Å; N140-S150 VanDerWaalsContact OD1-CB 3.26Å; N140-S150 WeakPolarHBondContact OD1-CB 3.43Å; N140-S150 PolarHBondContact OD1-OG 2.9Å; N140-L179 WeakPolarHBondContact O-CA 3.41Å; N140-K180 PolarHBondContact N-O 3.21Å; N140-K180 PolarHBondContact O-N 2.95Å; N140-E182 WeakPolarHBondContact ND2-CB 3.45Å
141L98.8Very high91Very high0 Ų050.1 Ų50.10%028%0.276CS..EExtended strand (participates in β ladder)trans-82.2121159.7-175.7141000108.1F124 F126 V148 I149 V167 L169 V177 L179 F195F124-L141 HydrophobicContact CB-CD1 3.62Å; F124-L141 HydrophobicContact CG-CD1 4.14Å; F126-L141 HydrophobicContact CD1-CB 4.49Å; F126-L141 HydrophobicContact CD1-CD1 4.31Å; F126-L141 HydrophobicContact CE1-CB 4.07Å; L141-V148 HydrophobicContact CD2-CB 4.23Å; L141-V148 PolarHBondContact O-N 3.02Å; L141-I149 HydrophobicContact CB-CD1 4.27Å; L141-I149 HydrophobicContact CB-CG1 3.66Å; L141-I149 HydrophobicContact CD2-CG1 4.5Å; L141-I149 PolarHBondContact N-O 2.94Å; L141-V167 HydrophobicContact CD2-CG1 4.24Å; L141-L169 HydrophobicContact CD2-CD1 3.74Å; L141-V177 HydrophobicContact CD1-CG1 4.15Å; L141-V177 HydrophobicContact CD2-CG1 3.87Å; L141-V177 HydrophobicContact CG-CG1 3.96Å; L141-L179 HydrophobicContact CB-CD2 4Å; L141-L179 HydrophobicContact CD1-CD2 4.22Å; L141-L179 HydrophobicContact CG-CD2 4.28Å; L141-F195 HydrophobicContact CD1-CE2 4.19Å
142M98.8Very high91.9Very high6 Ų655.5 Ų55.53%0.0330%0.299CS..EExtended strand (participates in β ladder)trans-100.9137.9-174.7-53.4-60.4-68.400109.8N140 G145 K146 P147 V177 Y178 K180N140-M142 HydrophobicContact CB-SD 3.6Å; N140-M142 VanDerWaalsContact CB-SD 3.6Å; M142-G145 VanDerWaalsContact CE-C 3.48Å; M142-G145 WeakPolarHBondContact CE-O 3.43Å; M142-K146 CarbonylContact C-O 3.57Å; M142-K146 WeakPolarHBondContact CA-O 3.28Å; M142-P147 HydrophobicContact CE-CB 4.48Å; M142-P147 HydrophobicContact SD-CB 4.01Å; M142-V177 VanDerWaalsContact O-CA 3.28Å; M142-V177 WeakPolarHBondContact O-CA 3.43Å; M142-Y178 HydrophobicContact CB-CD1 4.16Å; M142-Y178 HydrophobicContact CB-CD2 4.01Å; M142-Y178 HydrophobicContact CB-CE1 3.86Å; M142-Y178 HydrophobicContact CB-CE2 3.72Å; M142-Y178 HydrophobicContact CB-CG 4.23Å; M142-Y178 WeakPolarHBondContact CB-O 3.14Å; M142-Y178 HydrophobicContact CG-CD2 4Å; M142-Y178 HydrophobicContact CG-CE2 3.63Å; M142-Y178 PolarHBondContact N-O 3.36Å; M142-Y178 PolarHBondContact O-N 2.87Å; M142-K180 HydrophobicContact CE-CD 4.12Å; M142-K180 HydrophobicContact CG-CB 3.56Å; M142-K180 HydrophobicContact CG-CD 4.47Å; M142-K180 HydrophobicContact SD-CB 3.94Å; M142-K180 HydrophobicContact SD-CD 4.23Å
143L98.8Very high93.1Very high36 Ų3647.1 Ų47.119%0.18827%0.266CS..EExtended strand (participates in β ladder)trans-118.9116.4165.2172.958.2000108G145 K146 V148 L171 D175 K176 V177L143-G145 PolarHBondContact O-N 2.68Å; L143-G145 VanDerWaalsContact O-N 3.14Å; L143-K146 PolarHBondContact N-O 2.81Å; L143-K146 PolarHBondContact O-N 2.89Å; L143-V148 HydrophobicContact CB-CG2 3.48Å; L143-V148 VanDerWaalsContact CB-CG2 3.48Å; L143-V148 HydrophobicContact CD2-CG2 4.44Å; L143-L171 HydrophobicContact CD1-CD2 3.55Å; L143-L171 HydrophobicContact CD2-CD2 4.13Å; L143-L171 HydrophobicContact CG-CD2 4.48Å; L143-D175 HydrophobicContact CD1-CB 3.95Å; L143-K176 WeakPolarHBondContact CA-O 3.49Å; L143-V177 HydrophobicContact CD1-CG2 4.04Å
144N98.4Very high94Very high83 Ų8347.2 Ų47.244%0.44427%0.272SS..THydrogen-bonded Turntrans49.642.3178.3-62.8-28.2000113.5K146 D175 K176N144-K146 VanDerWaalsContact C-N 3.32Å; N144-K146 PolarHBondContact O-N 2.88Å; N144-D175 PolarHBondContact ND2-OD1 3.38Å; N144-K176 PolarHBondContact N-O 2.85Å; N144-K176 PolarHBondContact OD1-N 3.03Å
145G97.8Very high94.4Very high43 Ų4345.5 Ų45.544%0.44325%0.254SS..THydrogen-bonded Turntrans82.2-1.9179.700000115.7M142 L143 Y178M142-G145 VanDerWaalsContact CE-C 3.48Å; M142-G145 WeakPolarHBondContact CE-O 3.43Å; L143-G145 PolarHBondContact O-N 2.68Å; L143-G145 VanDerWaalsContact O-N 3.14Å; G145-Y178 WeakPolarHBondContact CA-OH 3.48Å
146K98.4Very high93.9Very high156 Ų15649.6 Ų49.668%0.67827%0.271SS*.EExtended strand (participates in β ladder)trans-106.8137.2176.4-62.2-178.9-177.6178.50111.2M142 L143 N144M142-K146 CarbonylContact C-O 3.57Å; M142-K146 WeakPolarHBondContact CA-O 3.28Å; L143-K146 PolarHBondContact N-O 2.81Å; L143-K146 PolarHBondContact O-N 2.89Å; N144-K146 VanDerWaalsContact C-N 3.32Å; N144-K146 PolarHBondContact O-N 2.88Å
147P98.4Very high93.1Very high80 Ų8053.3 Ų53.352%0.51929%0.288SS..EExtended strand (participates in β ladder)trans-71136.6176.130.3-33.8000110.7N140 M142N140-P147 HydrophobicContact CB-CB 4.11Å; M142-P147 HydrophobicContact CE-CB 4.48Å; M142-P147 HydrophobicContact SD-CB 4.01Å
148V98.4Very high92Very high60 Ų6056 Ų5636%0.36430%0.304SS..EExtended strand (participates in β ladder)trans-109-49.5178.4-1770000111.8L141 L143 L169L141-V148 HydrophobicContact CD2-CB 4.23Å; L141-V148 PolarHBondContact O-N 3.02Å; L143-V148 HydrophobicContact CB-CG2 3.48Å; L143-V148 VanDerWaalsContact CB-CG2 3.48Å; L143-V148 HydrophobicContact CD2-CG2 4.44Å; V148-L169 HydrophobicContact CG1-CD2 3.64Å
149I98.6Very high90.8Very high31 Ų3160.1 Ų60.116%0.15933%0.331CS..EExtended strand (participates in β ladder)trans-133.8155.5173.356.5163.9000109.7F126 N140 L141 N165 V167F126-I149 HydrophobicContact CE1-CD1 3.9Å; F126-I149 HydrophobicContact CE1-CG1 4.36Å; N140-I149 WeakPolarHBondContact CA-O 3.25Å; L141-I149 HydrophobicContact CB-CD1 4.27Å; L141-I149 HydrophobicContact CB-CG1 3.66Å; L141-I149 HydrophobicContact CD2-CG1 4.5Å; L141-I149 PolarHBondContact N-O 2.94Å; I149-N165 HydrophobicContact CD1-CB 3.91Å; I149-V167 HydrophobicContact CD1-CB 3.84Å; I149-V167 HydrophobicContact CD1-CG1 3.6Å; I149-V167 HydrophobicContact CG1-CB 4.44Å; I149-V167 HydrophobicContact CG1-CG1 4.01Å; I149-V167 HydrophobicContact CG2-CB 4.12Å; I149-V167 HydrophobicContact CG2-CG1 4.4Å; I149-V167 HydrophobicContact CG2-CG2 4.24Å
150S98.4Very high89.9Confident41 Ų4167 Ų6729%0.28736%0.357SS..EExtended strand (participates in β ladder)trans-130151.3-179.6-54.60000111V139 N140 N165V139-S150 CarbonylContact O-C 3.49Å; V139-S150 VanDerWaalsContact O-CA 3.31Å; V139-S150 WeakPolarHBondContact O-CA 3.23Å; N140-S150 VanDerWaalsContact OD1-CB 3.26Å; N140-S150 WeakPolarHBondContact OD1-CB 3.43Å; N140-S150 PolarHBondContact OD1-OG 2.9Å; S150-N165 PolarHBondContact O-ND2 2.76Å
151A97.4Very high89.3Confident5 Ų569.3 Ų69.34%0.04137%0.368CS..EExtended strand (participates in β ladder)trans-134.3151.2171.500000109.5F126 Q138 V139 A163 N165F126-A151 HydrophobicContact CE2-CB 3.71Å; F126-A151 HydrophobicContact CZ-CB 3.73Å; Q138-A151 WeakPolarHBondContact CA-O 3.14Å; V139-A151 PolarHBondContact N-O 2.95Å; V139-A151 PolarHBondContact O-N 2.86Å; A151-A163 HydrophobicContact CB-CB 3.83Å; A151-N165 HydrophobicContact CB-CB 4.02Å
152F94.3Very high89Confident120 Ų12071.2 Ų71.253%0.52638%0.383SS..EExtended strand (participates in β ladder)trans-126149.3-178.1-58.1-91.7000109.5I137 Q138I137-F152 WeakPolarHBondContact O-CA 3.09Å; Q138-F152 HydrophobicContact CB-CD1 3.85Å; Q138-F152 HydrophobicContact CB-CE1 3.75Å; Q138-F152 VanDerWaalsContact CD-CE1 3.44Å; Q138-F152 HydrophobicContact CG-CD1 3.92Å; Q138-F152 HydrophobicContact CG-CE1 3.42Å; Q138-F152 VanDerWaalsContact CG-CE1 3.42Å; Q138-F152 HydrophobicContact CG-CZ 3.92Å
153A91.1Very high88.8Confident0 Ų071 Ų710%038%0.382CS..EExtended strand (participates in β ladder)trans-144125.1165.300000107.1Q133 T136 I137 E161 A163Q133-A153 PolarHBondContact NE2-O 3.48Å; Q133-A153 VanDerWaalsContact NE2-O 3.17Å; T136-A153 CarbonylContact C-O 3.54Å; T136-A153 VanDerWaalsContact CA-O 3.28Å; T136-A153 WeakPolarHBondContact CA-O 3.22Å; I137-A153 HydrophobicContact CD1-CB 4.16Å; I137-A153 HydrophobicContact CG1-CB 3.81Å; I137-A153 WeakPolarHBondContact CG1-O 3.37Å; I137-A153 PolarHBondContact N-O 3.09Å; I137-A153 PolarHBondContact O-N 3.48Å; I137-A153 VanDerWaalsContact O-N 3.17Å; A153-E161 VanDerWaalsContact C-OE2 3.24Å; A153-E161 VanDerWaalsContact CA-CD 3.44Å; A153-E161 WeakPolarHBondContact CA-OE1 3.46Å; A153-E161 WeakPolarHBondContact CA-OE2 3.42Å; A153-E161 HydrophobicContact CB-CB 3.96Å; A153-E161 HydrophobicContact CB-CG 3.7Å; A153-A163 HydrophobicContact CB-CB 4.14Å
154G83.9Confident88.7Confident21 Ų2172.5 Ų72.522%0.21639%0.393CS..  trans-15813.5-177.300000118.5K156 E161G154-K156 PolarHBondContact O-N 3.03Å; G154-E161 WeakPolarHBondContact CA-OE2 3.44Å; G154-E161 PolarHBondContact N-OE1 2.92Å; G154-E161 PolarHBondContact N-OE2 3.38Å
155D76.4Confident88.7Confident75 Ų7571 Ų7140%0.40139%0.385SS..  trans-70.7130.1-175.5-158.7-25.4000111.3D157 V158 E161D155-D157 PolarHBondContact OD1-N 2.92Å; D155-D157 VanDerWaalsContact OD1-N 3.07Å; D155-V158 HydrophobicContact CB-CB 4.19Å; D155-V158 HydrophobicContact CB-CG2 3.81Å; D155-E161 PolarHBondContact N-OE2 2.93Å
156K69.2Low88.7Confident179 Ų17970 Ų7078%0.77838%0.375SS*.SBendtrans-79.9-22.5-177.2-65.4-178.5-178176.90112.2G154 V158G154-K156 PolarHBondContact O-N 3.03Å; K156-V158 VanDerWaalsContact C-N 3.33Å
157D71.8Confident88.7Confident154 Ų15464.2 Ų64.282%0.82435%0.352SS*.SBendtrans-92.70.5-175.8-61.8-33.9000112.1D155D155-D157 PolarHBondContact OD1-N 2.92Å; D155-D157 VanDerWaalsContact OD1-N 3.07Å
158V69.7Low88.6Confident58 Ų5864.8 Ų64.835%0.35235%0.351SS..  trans-114.4136.3-176.3-172.10000110.5D155 K156 R160D155-V158 HydrophobicContact CB-CB 4.19Å; D155-V158 HydrophobicContact CB-CG2 3.81Å; K156-V158 VanDerWaalsContact C-N 3.33Å; V158-R160 WeakPolarHBondContact CG1-O 3.14Å
159T71.7Confident88.6Confident109 Ų10962.9 Ų62.967%0.66934%0.338SS*.SBendtrans-83.2-20.2-178.7560000113.4Y132Y132-T159 PolarHBondContact N-O 2.83Å; Y132-T159 VanDerWaalsContact N-O 3.1Å
160R78.1Confident88.6Confident144 Ų14466.3 Ų66.354%0.54335%0.35SS..EExtended strand (participates in β ladder)trans-148123.6179.7-65.7-174.9178.2179.5-0.6111.1K130 V131 V158K130-R160 WeakPolarHBondContact O-CA 3.25Å; V131-R160 HydrophobicContact CB-CG 4.42Å; V131-R160 HydrophobicContact CG1-CG 4.04Å; V131-R160 HydrophobicContact CG2-CG 4.18Å; V158-R160 WeakPolarHBondContact CG1-O 3.14Å
161E87.6Confident88.6Confident55 Ų5564.4 Ų64.426%0.25734%0.336SS..EExtended strand (participates in β ladder)trans-134.1153.8175.7-164.4-175.4172.300110.3K130 Q133 A153 G154 D155K130-E161 PolarHBondContact N-O 2.83Å; K130-E161 PolarHBondContact O-N 3.25Å; Q133-E161 PolarHBondContact NE2-OE2 3.43Å; Q133-E161 PolarHBondContact OE1-OE2 3.14Å; A153-E161 VanDerWaalsContact C-OE2 3.24Å; A153-E161 VanDerWaalsContact CA-CD 3.44Å; A153-E161 WeakPolarHBondContact CA-OE1 3.46Å; A153-E161 WeakPolarHBondContact CA-OE2 3.42Å; A153-E161 HydrophobicContact CB-CB 3.96Å; A153-E161 HydrophobicContact CB-CG 3.7Å; G154-E161 WeakPolarHBondContact CA-OE2 3.44Å; G154-E161 PolarHBondContact N-OE1 2.92Å; G154-E161 PolarHBondContact N-OE2 3.38Å; D155-E161 PolarHBondContact N-OE2 2.93Å
162A91.1Very high88.7Confident40 Ų4068 Ų6833%0.33135%0.352SS..EExtended strand (participates in β ladder)trans-120.7119.1-176.900000111.4V128 I129 T164V128-A162 CarbonylContact O-C 3.53Å; V128-A162 WeakPolarHBondContact O-CA 3.39Å; I129-A162 HydrophobicContact CG1-CB 3.96Å; A162-T164 PolarHBondContact O-N 3.31Å; A162-T164 VanDerWaalsContact O-N 3.16Å
163A95.4Very high88.8Confident0 Ų068.4 Ų68.40%035%0.354CS..EExtended strand (participates in β ladder)trans-75.7102.6165.700000108.2F126 V128 I137 V139 A151 A153F126-A163 WeakPolarHBondContact CE2-O 3.26Å; V128-A163 HydrophobicContact CB-CB 4.47Å; V128-A163 PolarHBondContact N-O 3.34Å; V128-A163 PolarHBondContact O-N 3.17Å; I137-A163 HydrophobicContact CD1-CB 4.28Å; V139-A163 HydrophobicContact CB-CB 4.27Å; V139-A163 HydrophobicContact CG2-CB 3.95Å; A151-A163 HydrophobicContact CB-CB 3.83Å; A153-A163 HydrophobicContact CB-CB 4.14Å
164T96.9Very high89.1Confident69 Ų6974.7 Ų74.742%0.42338%0.383SS..EExtended strand (participates in β ladder)trans-117.6130.5-173.3-640000111.4F126 H127 A162F126-T164 WeakPolarHBondContact O-CA 3.48Å; H127-T164 WeakPolarHBondContact CE1-CG2 3.33Å; H127-T164 WeakPolarHBondContact ND1-CG2 3.15Å; H127-T164 PolarHBondContact ND1-OG1 2.99Å; A162-T164 PolarHBondContact O-N 3.31Å; A162-T164 VanDerWaalsContact O-N 3.16Å
165N98.2Very high89.8Confident51 Ų5175 Ų7527%0.27338%0.38SS..EExtended strand (participates in β ladder)trans-159.7169.6168.7-155.2-14.3000111.2F126 I149 S150 A151F126-N165 WeakPolarHBondContact CD1-O 3.48Å; F126-N165 HydrophobicContact CE1-CB 3.82Å; F126-N165 HydrophobicContact CE2-CB 4.49Å; F126-N165 HydrophobicContact CZ-CB 3.7Å; F126-N165 PolarHBondContact N-O 3.2Å; F126-N165 PolarHBondContact O-N 3.35Å; I149-N165 HydrophobicContact CD1-CB 3.91Å; S150-N165 PolarHBondContact O-ND2 2.76Å; A151-N165 HydrophobicContact CB-CB 4.02Å
166G97.3Very high90.9Very high22 Ų2276.6 Ų76.623%0.22738%0.383CS..EExtended strand (participates in β ladder)trans-162153.9179.100000112.9F124F124-G166 CarbonylContact O-C 3.54Å; F124-G166 WeakPolarHBondContact O-CA 3.34Å
167V98.1Very high92.3Very high35 Ų3568.1 Ų68.121%0.21235%0.346CS..EExtended strand (participates in β ladder)trans-154.7154-172.262.50000112.1F124 L141 I149 L169F124-V167 PolarHBondContact N-O 3.31Å; F124-V167 PolarHBondContact O-N 2.81Å; L141-V167 HydrophobicContact CD2-CG1 4.24Å; I149-V167 HydrophobicContact CD1-CB 3.84Å; I149-V167 HydrophobicContact CD1-CG1 3.6Å; I149-V167 HydrophobicContact CG1-CB 4.44Å; I149-V167 HydrophobicContact CG1-CG1 4.01Å; I149-V167 HydrophobicContact CG2-CB 4.12Å; I149-V167 HydrophobicContact CG2-CG1 4.4Å; I149-V167 HydrophobicContact CG2-CG2 4.24Å; V167-L169 HydrophobicContact CG1-CD1 4.17Å; V167-L169 HydrophobicContact CG1-CD2 4.05Å; V167-L169 HydrophobicContact CG1-CG 3.91Å; V167-L169 HydrophobicContact CG2-CD2 3.74Å; V167-L169 HydrophobicContact CG2-CG 4.31Å
168L98Very high93.6Very high92 Ų9262.6 Ų62.648%0.48231%0.314SS..EExtended strand (participates in β ladder)trans-96.7128.8164-65.5-179.5000109.6L44 V121 Y122 V200L44-L168 HydrophobicContact CD1-CD2 4.4Å; V121-L168 HydrophobicContact CG1-CB 4.3Å; Y122-L168 CarbonylContact O-C 3.56Å; Y122-L168 VanDerWaalsContact O-CA 3.26Å; Y122-L168 WeakPolarHBondContact O-CA 3.45Å; L168-V200 HydrophobicContact CD2-CG2 3.99Å
169L98.1Very high95Very high19 Ų1959.9 Ų59.910%0.09930%0.298CS..EExtended strand (participates in β ladder)trans-123.4135.3179.6-60.7179.3000111.2V121 Y122 F124 L141 V148 V167 L171V121-L169 CarbonylContact C-O 3.49Å; V121-L169 WeakPolarHBondContact CA-O 2.97Å; Y122-L169 PolarHBondContact N-O 2.95Å; Y122-L169 PolarHBondContact O-N 3.43Å; F124-L169 HydrophobicContact CD2-CD1 4.03Å; F124-L169 HydrophobicContact CD2-CG 4.33Å; F124-L169 HydrophobicContact CE2-CB 4.36Å; F124-L169 HydrophobicContact CE2-CD1 4.13Å; L141-L169 HydrophobicContact CD2-CD1 3.74Å; V148-L169 HydrophobicContact CG1-CD2 3.64Å; V167-L169 HydrophobicContact CG1-CD1 4.17Å; V167-L169 HydrophobicContact CG1-CD2 4.05Å; V167-L169 HydrophobicContact CG1-CG 3.91Å; V167-L169 HydrophobicContact CG2-CD2 3.74Å; V167-L169 HydrophobicContact CG2-CG 4.31Å; L169-L171 HydrophobicContact CB-CD2 3.97Å; L169-L171 HydrophobicContact CB-CG 4.27Å; L169-L171 HydrophobicContact CD1-CD2 4.45Å
170Y98.3Very high96.2Very high104 Ų10457.3 Ų57.341%0.40828%0.277SS..EExtended strand (participates in β ladder)trans-74125.5158.4175.7-81.2000108.1K119 G120 E172 L203K119-Y170 VanDerWaalsContact CD-OH 3.3Å; K119-Y170 WeakPolarHBondContact CD-OH 3.46Å; K119-Y170 WeakPolarHBondContact CE-OH 3.33Å; K119-Y170 HydrophobicContact CG-CE2 4.21Å; K119-Y170 PolarHBondContact NZ-OH 3.01Å; G120-Y170 WeakPolarHBondContact O-CA 3.4Å; Y170-E172 HydrophobicContact CE1-CG 4.12Å; Y170-E172 VanDerWaalsContact CE1-OE1 3.29Å; Y170-E172 WeakPolarHBondContact CE1-OE1 3.13Å; Y170-E172 VanDerWaalsContact CZ-OE1 3.31Å; Y170-E172 PolarHBondContact OH-OE1 3.37Å; Y170-L203 HydrophobicContact CD2-CD1 3.62Å; Y170-L203 HydrophobicContact CE2-CD1 3.45Å; Y170-L203 VanDerWaalsContact CE2-CD1 3.45Å
171L98.6Very high97.1Very high0 Ų051 Ų510%026%0.255CS..EExtended strand (participates in β ladder)trans-124.1145.7176.3-57.9-177.7000110.1F114 K119 G120 Y122 F124 L143 L169 D175 V177F114-L171 HydrophobicContact CE1-CD1 4.14Å; K119-L171 VanDerWaalsContact CA-O 3.24Å; K119-L171 WeakPolarHBondContact CA-O 3.49Å; G120-L171 PolarHBondContact N-O 2.95Å; G120-L171 VanDerWaalsContact N-O 3.08Å; G120-L171 PolarHBondContact O-N 2.98Å; Y122-L171 HydrophobicContact CD2-CB 3.76Å; Y122-L171 HydrophobicContact CD2-CD1 3.6Å; Y122-L171 HydrophobicContact CD2-CG 3.73Å; Y122-L171 HydrophobicContact CE2-CB 3.83Å; Y122-L171 HydrophobicContact CE2-CD1 4.11Å; Y122-L171 HydrophobicContact CE2-CG 4.28Å; Y122-L171 HydrophobicContact CG-CD1 3.82Å; Y122-L171 HydrophobicContact CG-CG 4.35Å; F124-L171 HydrophobicContact CE2-CD1 3.89Å; F124-L171 HydrophobicContact CZ-CD1 3.78Å; L143-L171 HydrophobicContact CD1-CD2 3.55Å; L143-L171 HydrophobicContact CD2-CD2 4.13Å; L143-L171 HydrophobicContact CG-CD2 4.48Å; L169-L171 HydrophobicContact CB-CD2 3.97Å; L169-L171 HydrophobicContact CB-CG 4.27Å; L169-L171 HydrophobicContact CD1-CD2 4.45Å; L171-D175 WeakPolarHBondContact CA-OD2 3.49Å; L171-D175 HydrophobicContact CB-CB 4.21Å; L171-D175 HydrophobicContact CD2-CB 4.21Å; L171-V177 HydrophobicContact CD1-CG2 3.87Å; L171-V177 HydrophobicContact CD2-CG2 4.03Å
172E98.4Very high97.5Very high80 Ų8052.6 Ų52.637%0.37426%0.262SS..  trans-86.5171.5163.6-68.5-63.6165.200110.7S116 K119 Y170 D175S116-E172 WeakPolarHBondContact CB-O 2.84Å; S116-E172 PolarHBondContact OG-O 3.29Å; K119-E172 IonicContact NZ-OE1 3.95Å; Y170-E172 HydrophobicContact CE1-CG 4.12Å; Y170-E172 VanDerWaalsContact CE1-OE1 3.29Å; Y170-E172 WeakPolarHBondContact CE1-OE1 3.13Å; Y170-E172 VanDerWaalsContact CZ-OE1 3.31Å; Y170-E172 PolarHBondContact OH-OE1 3.37Å; E172-D175 PolarHBondContact N-OD2 2.95Å
173K97.3Very high97.6Very high129 Ų12956.8 Ų56.856%0.56127%0.273SS*.THydrogen-bonded Turntrans-62.2141.3169.5179.1176.4175.9-154.20109.6S116 P117 D175S116-K173 CarbonylContact O-C 3.6Å; P117-K173 WeakPolarHBondContact O-CG 3.48Å; K173-D175 PolarHBondContact O-N 3.16Å
174E97.3Very high97.4Very high133 Ų13357.5 Ų57.562%0.62128%0.28SS*.THydrogen-bonded Turntrans70.42179.3-69.3154.8-15900116.1S116 K176S116-E174 PolarHBondContact O-N 3.2Å; E174-K176 PolarHBondContact O-N 2.89Å
175D98.8Very high97.1Very high26 Ų2656.5 Ų56.514%0.13927%0.272CS..  trans-57.7137.5169.6-82.9-13.1000111.4S116 L143 N144 L171 E172 K173S116-D175 PolarHBondContact N-O 3.1Å; L143-D175 HydrophobicContact CD1-CB 3.95Å; N144-D175 PolarHBondContact ND2-OD1 3.38Å; L171-D175 WeakPolarHBondContact CA-OD2 3.49Å; L171-D175 HydrophobicContact CB-CB 4.21Å; L171-D175 HydrophobicContact CD2-CB 4.21Å; E172-D175 PolarHBondContact N-OD2 2.95Å; K173-D175 PolarHBondContact O-N 3.16Å
176K98.7Very high96.7Very high110 Ų11054.3 Ų54.348%0.47826%0.26SS..EExtended strand (participates in β ladder)trans-105.5123.6-176.6-51.8-168.1177.6175.50110.7V113 F114 L115 L143 N144 E174V113-K176 HydrophobicContact CG1-CB 4.04Å; F114-K176 WeakPolarHBondContact O-CA 3.29Å; L115-K176 HydrophobicContact CD2-CB 4.35Å; L115-K176 HydrophobicContact CD2-CD 4.08Å; L115-K176 HydrophobicContact CD2-CG 3.63Å; L143-K176 WeakPolarHBondContact CA-O 3.49Å; N144-K176 PolarHBondContact N-O 2.85Å; N144-K176 PolarHBondContact OD1-N 3.03Å; E174-K176 PolarHBondContact O-N 2.89Å
177V98.9Very high96.2Very high0 Ų057.1 Ų57.10%027%0.273CS..EExtended strand (participates in β ladder)trans-120.5128.3175.8-174.40000110.6F114 F124 L141 M142 L143 L171 F195F114-V177 HydrophobicContact CB-CB 4.36Å; F114-V177 HydrophobicContact CD1-CB 4.35Å; F114-V177 PolarHBondContact N-O 2.94Å; F114-V177 PolarHBondContact O-N 2.92Å; F124-V177 HydrophobicContact CD1-CG1 4.01Å; F124-V177 HydrophobicContact CD2-CG1 4.38Å; F124-V177 HydrophobicContact CE1-CB 4.01Å; F124-V177 HydrophobicContact CE1-CG1 3.8Å; F124-V177 HydrophobicContact CE1-CG2 4.39Å; F124-V177 HydrophobicContact CE2-CG1 4.2Å; F124-V177 HydrophobicContact CE2-CG2 4.13Å; F124-V177 HydrophobicContact CG-CG1 4.29Å; F124-V177 HydrophobicContact CZ-CB 3.93Å; F124-V177 HydrophobicContact CZ-CG1 3.92Å; F124-V177 HydrophobicContact CZ-CG2 3.8Å; L141-V177 HydrophobicContact CD1-CG1 4.15Å; L141-V177 HydrophobicContact CD2-CG1 3.87Å; L141-V177 HydrophobicContact CG-CG1 3.96Å; M142-V177 VanDerWaalsContact O-CA 3.28Å; M142-V177 WeakPolarHBondContact O-CA 3.43Å; L143-V177 HydrophobicContact CD1-CG2 4.04Å; L171-V177 HydrophobicContact CD1-CG2 3.87Å; L171-V177 HydrophobicContact CD2-CG2 4.03Å; V177-F195 HydrophobicContact CG1-CZ 4.32Å
178Y98.8Very high95.5Very high39 Ų3956.6 Ų56.615%0.15328%0.275CS..EExtended strand (participates in β ladder)trans-157.7167.3-17959.4-84.9000111.3I94 V113 M142 G145 K180I94-Y178 HydrophobicContact CD1-CD2 4.08Å; I94-Y178 HydrophobicContact CD1-CE2 4.14Å; I94-Y178 HydrophobicContact CG1-CD2 3.86Å; I94-Y178 HydrophobicContact CG1-CE2 3.96Å; I94-Y178 HydrophobicContact CG2-CD2 4.44Å; V113-Y178 HydrophobicContact CG1-CD1 4.3Å; V113-Y178 HydrophobicContact CG2-CD1 4.46Å; V113-Y178 HydrophobicContact CG2-CG 4.34Å; M142-Y178 HydrophobicContact CB-CD1 4.16Å; M142-Y178 HydrophobicContact CB-CD2 4.01Å; M142-Y178 HydrophobicContact CB-CE1 3.86Å; M142-Y178 HydrophobicContact CB-CE2 3.72Å; M142-Y178 HydrophobicContact CB-CG 4.23Å; M142-Y178 WeakPolarHBondContact CB-O 3.14Å; M142-Y178 HydrophobicContact CG-CD2 4Å; M142-Y178 HydrophobicContact CG-CE2 3.63Å; M142-Y178 PolarHBondContact N-O 3.36Å; M142-Y178 PolarHBondContact O-N 2.87Å; G145-Y178 WeakPolarHBondContact CA-OH 3.48Å; Y178-K180 HydrophobicContact CE2-CB 4.31Å
179L98.7Very high95Very high1 Ų152.2 Ų52.21%0.00525%0.252CS..EExtended strand (participates in β ladder)trans-98.8135.2176.1-57.1-177000110.8I94 I95 F97 F126 V128 V139 N140 L141 F195I94-L179 WeakPolarHBondContact CA-O 3.32Å; I95-L179 HydrophobicContact CB-CB 4.19Å; I95-L179 HydrophobicContact CD1-CB 4.24Å; I95-L179 HydrophobicContact CG1-CB 4.43Å; I95-L179 PolarHBondContact N-O 2.75Å; F97-L179 HydrophobicContact CE2-CD1 4.04Å; F97-L179 HydrophobicContact CZ-CD1 3.89Å; F126-L179 HydrophobicContact CB-CD1 3.54Å; F126-L179 HydrophobicContact CB-CD2 4.1Å; F126-L179 HydrophobicContact CB-CG 4.44Å; F126-L179 HydrophobicContact CD1-CD2 3.68Å; F126-L179 HydrophobicContact CD2-CD1 4.16Å; F126-L179 HydrophobicContact CD2-CD2 4.41Å; F126-L179 HydrophobicContact CE1-CD2 4.16Å; F126-L179 HydrophobicContact CG-CD1 3.86Å; F126-L179 HydrophobicContact CG-CD2 3.81Å; V128-L179 HydrophobicContact CG2-CD1 4.15Å; V139-L179 HydrophobicContact CG1-CB 4.34Å; N140-L179 WeakPolarHBondContact O-CA 3.41Å; L141-L179 HydrophobicContact CB-CD2 4Å; L141-L179 HydrophobicContact CD1-CD2 4.22Å; L141-L179 HydrophobicContact CG-CD2 4.28Å; L179-F195 HydrophobicContact CD1-CB 4.02Å; L179-F195 HydrophobicContact CD1-CD1 4.3Å; L179-F195 HydrophobicContact CD1-CD2 4.06Å; L179-F195 HydrophobicContact CD1-CG 3.89Å; L179-F195 HydrophobicContact CD2-CD2 4.3Å; L179-F195 HydrophobicContact CD2-CE2 4.11Å; L179-F195 HydrophobicContact CD2-CZ 4.36Å; L179-F195 HydrophobicContact CG-CD1 4.13Å; L179-F195 HydrophobicContact CG-CD2 4.15Å; L179-F195 HydrophobicContact CG-CE1 4.23Å; L179-F195 HydrophobicContact CG-CE2 4.25Å; L179-F195 HydrophobicContact CG-CG 4.1Å; L179-F195 HydrophobicContact CG-CZ 4.29Å
180K98.1Very high94.8Very high55 Ų5551.4 Ų51.424%0.23925%0.247CC..EExtended strand (participates in β ladder)trans-125.1133.5176.8-171-171.2173.6-142.60110.6R93 N140 M142 Y178 E182R93-K180 HydrophobicContact CB-CG 3.98Å; R93-K180 CarbonylContact O-C 3.57Å; R93-K180 WeakPolarHBondContact O-CA 3.44Å; R93-K180 WeakPolarHBondContact O-CG 3.34Å; N140-K180 PolarHBondContact N-O 3.21Å; N140-K180 PolarHBondContact O-N 2.95Å; M142-K180 HydrophobicContact CE-CD 4.12Å; M142-K180 HydrophobicContact CG-CB 3.56Å; M142-K180 HydrophobicContact CG-CD 4.47Å; M142-K180 HydrophobicContact SD-CB 3.94Å; M142-K180 HydrophobicContact SD-CD 4.23Å; Y178-K180 HydrophobicContact CE2-CB 4.31Å; K180-E182 IonicContact NZ-OE2 2.79Å; K180-E182 PolarHBondContact NZ-OE2 3.46Å; K180-E182 PolarHBondContact O-N 2.88Å
181L96.8Very high94.6Very high12 Ų1248.3 Ų48.36%0.06324%0.237CC..EExtended strand (participates in β ladder)trans-81.4101.3171.2-17472.6000109.7R93 I95 I137 V139 K183 L186R93-L181 WeakPolarHBondContact CB-O 3.31Å; R93-L181 PolarHBondContact O-N 3.1Å; I95-L181 HydrophobicContact CD1-CB 4.36Å; I95-L181 HydrophobicContact CG1-CB 4.2Å; I137-L181 HydrophobicContact CB-CD1 4.02Å; I137-L181 HydrophobicContact CG2-CD1 4.27Å; V139-L181 HydrophobicContact CG2-CD1 4.23Å; L181-K183 WeakPolarHBondContact CD1-O 3.44Å; L181-L186 HydrophobicContact CD1-CD2 4.42Å; L181-L186 HydrophobicContact CD1-CG 4.38Å; L181-L186 HydrophobicContact CD2-CD1 4.43Å; L181-L186 HydrophobicContact CD2-CG 3.94Å
182E96.3Very high94.4Very high87 Ų8754.3 Ų54.341%0.40726%0.26SS..EExtended strand (participates in β ladder)trans-82.5-37-176.2-17063.2-163.500112.3Q138 N140 K180Q138-E182 HydrophobicContact CB-CB 4.43Å; Q138-E182 HydrophobicContact CG-CB 4.2Å; Q138-E182 PolarHBondContact O-N 3.23Å; N140-E182 WeakPolarHBondContact ND2-CB 3.45Å; K180-E182 IonicContact NZ-OE2 2.79Å; K180-E182 PolarHBondContact NZ-OE2 3.46Å; K180-E182 PolarHBondContact O-N 2.88Å
183K93.4Very high94.3Very high129 Ų12950.5 Ų50.556%0.56124%0.242SC*.EExtended strand (participates in β ladder)trans-132.8148.9176.9-61.2-176-178.31740111.3I137 Q138 L181I137-K183 WeakPolarHBondContact CA-O 3.35Å; Q138-K183 HydrophobicContact CB-CB 3.8Å; Q138-K183 HydrophobicContact CB-CD 4.42Å; Q138-K183 HydrophobicContact CB-CG 4.13Å; Q138-K183 PolarHBondContact N-O 2.73Å; Q138-K183 VanDerWaalsContact N-O 3.07Å; Q138-K183 PolarHBondContact O-N 2.99Å; L181-K183 WeakPolarHBondContact CD1-O 3.44Å
184G91.3Very high94.4Very high15 Ų1546.2 Ų46.216%0.15523%0.227CC..SBendtrans83.7-156.9179.400000113.7R93R93-G184 PolarHBondContact NH1-O 2.87Å
185N89.4Confident94.5Very high47 Ų4739.9 Ų39.925%0.25120%0.198SC..  trans-144.4165.317865.464.4000109.8K130 Q135 I137 V187K130-N185 WeakPolarHBondContact CE-O 3.34Å; K130-N185 PolarHBondContact NZ-O 2.96Å; K130-N185 PolarHBondContact NZ-OD1 2.86Å; K130-N185 VanDerWaalsContact NZ-OD1 3.13Å; Q135-N185 PolarHBondContact OE1-ND2 2.68Å; Q135-N185 VanDerWaalsContact OE1-ND2 3.07Å; I137-N185 WeakPolarHBondContact CG2-O 3.44Å; N185-V187 HydrophobicContact CB-CG2 4.11Å; N185-V187 WeakPolarHBondContact OD1-CB 3.26Å; N185-V187 WeakPolarHBondContact OD1-CG2 3.47Å; N185-V187 PolarHBondContact OD1-N 3.16Å; N185-V187 VanDerWaalsContact OD1-N 3.07Å
186L89.4Confident94.5Very high5 Ų540.4 Ų40.43%0.02620%0.203CC..  trans-112.334.2172.5-61.3171.7000111.2P85 I95 V128 K130 I137 L181 G189 W190P85-L186 HydrophobicContact CG-CB 4.28Å; I95-L186 HydrophobicContact CD1-CD1 4.35Å; I95-L186 HydrophobicContact CG1-CD1 4.15Å; I95-L186 HydrophobicContact CG2-CD1 4.19Å; V128-L186 HydrophobicContact CG1-CD2 4.16Å; K130-L186 HydrophobicContact CD-CD2 4.48Å; I137-L186 HydrophobicContact CD1-CD2 4.23Å; L181-L186 HydrophobicContact CD1-CD2 4.42Å; L181-L186 HydrophobicContact CD1-CG 4.38Å; L181-L186 HydrophobicContact CD2-CD1 4.43Å; L181-L186 HydrophobicContact CD2-CG 3.94Å; L186-G189 PolarHBondContact O-N 2.81Å; L186-G189 VanDerWaalsContact O-N 3.09Å; L186-W190 HydrophobicContact CB-CD2 4.19Å; L186-W190 HydrophobicContact CB-CE3 3.51Å; L186-W190 HydrophobicContact CB-CZ3 4.04Å; L186-W190 HydrophobicContact CD1-CB 4.34Å; L186-W190 HydrophobicContact CD1-CD2 3.79Å; L186-W190 HydrophobicContact CD1-CE3 3.92Å; L186-W190 HydrophobicContact CD1-CG 4Å; L186-W190 HydrophobicContact CD2-CB 4.27Å; L186-W190 HydrophobicContact CG-CE3 4.31Å
187V86.9Confident94.4Very high81 Ų8135.2 Ų35.249%0.49118%0.181SC..THydrogen-bonded Turntrans-62.3139172.7177.40000108.8E84 N185 G189E84-V187 VanDerWaalsContact OE2-CA 3.29Å; E84-V187 WeakPolarHBondContact OE2-CA 3.4Å; N185-V187 HydrophobicContact CB-CG2 4.11Å; N185-V187 WeakPolarHBondContact OD1-CB 3.26Å; N185-V187 WeakPolarHBondContact OD1-CG2 3.47Å; N185-V187 PolarHBondContact OD1-N 3.16Å; N185-V187 VanDerWaalsContact OD1-N 3.07Å; V187-G189 VanDerWaalsContact C-N 3.32Å
188G84.3Confident94.3Very high25 Ų2538.5 Ų38.526%0.25820%0.196SC..THydrogen-bonded Turntrans88.5-3-169.400000114E84E84-G188 PolarHBondContact OE1-N 2.98Å
189G87.6Confident94.2Very high0 Ų037.4 Ų37.40%019%0.192CC..  trans86.1167.8177.700000114.1L186 V187L186-G189 PolarHBondContact O-N 2.81Å; L186-G189 VanDerWaalsContact O-N 3.09Å; V187-G189 VanDerWaalsContact C-N 3.32Å
190W93.2Very high94Very high1 Ų138.6 Ų38.60%0.00420%0.199CC..  trans-133.837.2-179.462.2100.8000111.8R79 H83 P85 Y96 I129 L186 S193R79-W190 WeakPolarHBondContact CB-O 3.26Å; R79-W190 VanDerWaalsContact CG-CD1 3.49Å; R79-W190 HydrophobicContact CG-CD2 4.26Å; R79-W190 HydrophobicContact CG-CG 3.96Å; R79-W190 WeakPolarHBondContact CG-O 3.39Å; R79-W190 VanDerWaalsContact CZ-CZ2 3.44Å; H83-W190 WeakPolarHBondContact O-CZ3 3.39Å; P85-W190 HydrophobicContact CB-CH2 4.24Å; P85-W190 HydrophobicContact CB-CZ3 4.2Å; P85-W190 HydrophobicContact CG-CH2 4.22Å; P85-W190 HydrophobicContact CG-CZ3 3.67Å; Y96-W190 PolarHBondContact O-NE1 3.07Å; I129-W190 CarbonylContact O-C 3.56Å; I129-W190 WeakPolarHBondContact O-CA 2.97Å; I129-W190 VanDerWaalsContact O-CB 3.25Å; I129-W190 WeakPolarHBondContact O-CB 3.39Å; L186-W190 HydrophobicContact CB-CD2 4.19Å; L186-W190 HydrophobicContact CB-CE3 3.51Å; L186-W190 HydrophobicContact CB-CZ3 4.04Å; L186-W190 HydrophobicContact CD1-CB 4.34Å; L186-W190 HydrophobicContact CD1-CD2 3.79Å; L186-W190 HydrophobicContact CD1-CE3 3.92Å; L186-W190 HydrophobicContact CD1-CG 4Å; L186-W190 HydrophobicContact CD2-CB 4.27Å; L186-W190 HydrophobicContact CG-CE3 4.31Å; W190-S193 WeakPolarHBondContact O-CB 3.45Å; W190-S193 PolarHBondContact O-N 2.65Å; W190-S193 PolarHBondContact O-OG 2.78Å
191Q93.9Very high93.5Very high40 Ų4040.8 Ų40.819%0.18721%0.209CC..THydrogen-bonded Turntrans-52.5148.6177.1-173.5-179.339.600110.9S80 N82 S193S80-Q191 PolarHBondContact O-NE2 3.34Å; N82-Q191 PolarHBondContact ND2-OE1 3.35Å; N82-Q191 WeakPolarHBondContact OD1-CB 3.35Å; N82-Q191 PolarHBondContact OD1-N 2.79Å; Q191-S193 PolarHBondContact O-N 3.23Å
192Y94.8Very high93.3Very high125 Ų12542.7 Ų42.749%0.4922%0.222SC..THydrogen-bonded Turntrans74.2-5-176.2-46.3-69.6000114.8R79R79-Y192 PolarHBondContact O-N 3.43Å
193S97.1Very high92.8Very high0 Ų044.3 Ų44.30%023%0.233CC..  trans-60.3144.2171.5-60.60000111.2V78 R79 H127 V128 I129 W190 Q191V78-S193 CarbonylContact C-O 3.45Å; V78-S193 VanDerWaalsContact CA-O 3.28Å; V78-S193 WeakPolarHBondContact CA-O 3.23Å; R79-S193 PolarHBondContact N-O 2.76Å; H127-S193 CarbonylContact O-C 3.59Å; H127-S193 WeakPolarHBondContact O-CA 3.29Å; H127-S193 WeakPolarHBondContact O-CB 3.4Å; V128-S193 WeakPolarHBondContact CA-OG 3.41Å; I129-S193 PolarHBondContact N-OG 2.87Å; I129-S193 PolarHBondContact O-OG 2.92Å; W190-S193 WeakPolarHBondContact O-CB 3.45Å; W190-S193 PolarHBondContact O-N 2.65Å; W190-S193 PolarHBondContact O-OG 2.78Å; Q191-S193 PolarHBondContact O-N 3.23Å
194T98.6Very high92.8Very high40 Ų4040.1 Ų40.125%0.24522%0.217CC..EExtended strand (participates in β ladder)trans-130143.9-179.367.60000111.3A77 V78 F126 H127A77-T194 WeakPolarHBondContact O-CA 3.34Å; V78-T194 HydrophobicContact CG1-CG2 4.01Å; F126-T194 WeakPolarHBondContact CA-O 3.17Å; H127-T194 PolarHBondContact CD2-OG1 3.09Å; H127-T194 VanDerWaalsContact CD2-OG1 3.29Å; H127-T194 PolarHBondContact N-O 2.76Å; H127-T194 PolarHBondContact O-N 3.17Å
195F98.8Very high92.8Very high0 Ų041.4 Ų41.40%022%0.22CC..EExtended strand (participates in β ladder)trans-137125.6167.3-179.4-147.8000109.4F75 A77 F97 F108 F124 F126 L141 V177 L179F75-F195 AromaticContact CE2-CD1 3.75Å; F75-F195 HydrophobicContact CE2-CD1 3.75Å; F75-F195 HydrophobicContact CE2-CD2 4.27Å; F75-F195 AromaticContact CE2-CE1 3.88Å; F75-F195 HydrophobicContact CE2-CE1 3.88Å; F75-F195 HydrophobicContact CE2-CE2 4.37Å; F75-F195 AromaticContact CE2-CG 3.96Å; F75-F195 HydrophobicContact CE2-CG 3.96Å; F75-F195 HydrophobicContact CE2-CZ 4.19Å; F75-F195 HydrophobicContact CZ-CD1 4.15Å; F75-F195 HydrophobicContact CZ-CD2 4.23Å; F75-F195 AromaticContact CZ-CE1 3.84Å; F75-F195 HydrophobicContact CZ-CE1 3.84Å; F75-F195 AromaticContact CZ-CE2 3.93Å; F75-F195 HydrophobicContact CZ-CE2 3.93Å; F75-F195 HydrophobicContact CZ-CG 4.34Å; F75-F195 AromaticContact CZ-CZ 3.72Å; F75-F195 HydrophobicContact CZ-CZ 3.72Å; A77-F195 PolarHBondContact N-O 3.2Å; A77-F195 PolarHBondContact O-N 2.99Å; F97-F195 HydrophobicContact CD1-CB 4.42Å; F97-F195 HydrophobicContact CD2-CB 4.18Å; F97-F195 HydrophobicContact CE1-CB 3.92Å; F97-F195 HydrophobicContact CE2-CB 3.64Å; F97-F195 HydrophobicContact CE2-CD1 4.21Å; F97-F195 HydrophobicContact CE2-CG 4.33Å; F97-F195 HydrophobicContact CZ-CB 3.5Å; F108-F195 AromaticContact CE2-CD1 3.78Å; F108-F195 HydrophobicContact CE2-CD1 3.78Å; F108-F195 AromaticContact CE2-CE1 3.84Å; F108-F195 HydrophobicContact CE2-CE1 3.84Å; F108-F195 HydrophobicContact CZ-CD1 4.11Å; F124-F195 HydrophobicContact CB-CE2 4.48Å; F124-F195 HydrophobicContact CD1-CE2 4.06Å; F124-F195 HydrophobicContact CD1-CZ 4.21Å; F126-F195 HydrophobicContact CB-CD2 4Å; L141-F195 HydrophobicContact CD1-CE2 4.19Å; V177-F195 HydrophobicContact CG1-CZ 4.32Å; L179-F195 HydrophobicContact CD1-CB 4.02Å; L179-F195 HydrophobicContact CD1-CD1 4.3Å; L179-F195 HydrophobicContact CD1-CD2 4.06Å; L179-F195 HydrophobicContact CD1-CG 3.89Å; L179-F195 HydrophobicContact CD2-CD2 4.3Å; L179-F195 HydrophobicContact CD2-CE2 4.11Å; L179-F195 HydrophobicContact CD2-CZ 4.36Å; L179-F195 HydrophobicContact CG-CD1 4.13Å; L179-F195 HydrophobicContact CG-CD2 4.15Å; L179-F195 HydrophobicContact CG-CE1 4.23Å; L179-F195 HydrophobicContact CG-CE2 4.25Å; L179-F195 HydrophobicContact CG-CG 4.1Å; L179-F195 HydrophobicContact CG-CZ 4.29Å
196S98.8Very high93Very high36 Ų3641.1 Ų41.125%0.25222%0.218SC..EExtended strand (participates in β ladder)trans-141.7156.8-177.761.40000111.7F75 F124 N125F75-S196 WeakPolarHBondContact O-CA 3.49Å; F75-S196 WeakPolarHBondContact O-CB 3.36Å; F124-S196 WeakPolarHBondContact CA-O 3.48Å; N125-S196 PolarHBondContact N-O 2.88Å; N125-S196 PolarHBondContact O-N 3.17Å
197G98.1Very high93.2Very high2 Ų243.2 Ų43.22%0.02123%0.23CC..EExtended strand (participates in β ladder)trans-171.6161.717300000113.2A74 F75 S123A74-G197 CarbonylContact C-O 3.57Å; A74-G197 WeakPolarHBondContact CA-O 3.31Å; F75-G197 WeakPolarHBondContact CD1-O 3.43Å; F75-G197 PolarHBondContact N-O 3.11Å; F75-G197 PolarHBondContact O-N 3.13Å; S123-G197 CarbonylContact O-C 3.5Å; S123-G197 WeakPolarHBondContact O-CA 3.44Å
198F97.2Very high93.6Very high69 Ų6940.9 Ų40.930%0.30321%0.213SC..EExtended strand (participates in β ladder)trans-156.2157-17760.8-85000111.8L44 V46 V73 A74 Y122 S123 V200L44-F198 HydrophobicContact CD2-CE2 3.47Å; L44-F198 VanDerWaalsContact CD2-CE2 3.47Å; L44-F198 HydrophobicContact CD2-CZ 3.45Å; L44-F198 VanDerWaalsContact CD2-CZ 3.45Å; V46-F198 HydrophobicContact CG2-CE2 4.45Å; V73-F198 CarbonylContact O-C 3.53Å; V73-F198 VanDerWaalsContact O-CA 3.23Å; V73-F198 WeakPolarHBondContact O-CA 3.48Å; V73-F198 VanDerWaalsContact O-CB 3.31Å; V73-F198 WeakPolarHBondContact O-CB 3.28Å; A74-F198 HydrophobicContact CB-CB 3.82Å; Y122-F198 CarbonylContact C-O 3.59Å; Y122-F198 VanDerWaalsContact CA-O 3.29Å; Y122-F198 WeakPolarHBondContact CA-O 3.37Å; S123-F198 PolarHBondContact N-O 3.07Å; S123-F198 PolarHBondContact O-N 2.74Å; F198-V200 HydrophobicContact CE2-CG2 4.18Å; F198-V200 PolarHBondContact O-N 3.01Å
199L95.6Very high94.2Very high16 Ų1641.9 Ų41.98%0.08421%0.21CC..EExtended strand (participates in β ladder)trans-73.6121.9171.7175.762.3000109.2V73 Y122 F201 P202V73-L199 HydrophobicContact CB-CB 3.76Å; V73-L199 HydrophobicContact CG2-CB 4.29Å; V73-L199 HydrophobicContact CG2-CD2 4.15Å; V73-L199 PolarHBondContact O-N 2.92Å; Y122-L199 HydrophobicContact CD1-CB 3.96Å; Y122-L199 HydrophobicContact CD1-CD1 4.23Å; Y122-L199 HydrophobicContact CD2-CD1 4.24Å; Y122-L199 HydrophobicContact CE1-CB 3.68Å; Y122-L199 HydrophobicContact CE1-CD1 3.84Å; Y122-L199 HydrophobicContact CE1-CG 4.29Å; Y122-L199 HydrophobicContact CE2-CD1 3.86Å; Y122-L199 HydrophobicContact CG-CD1 4.42Å; L199-F201 VanDerWaalsContact CD1-C 3.45Å; L199-F201 VanDerWaalsContact CD1-O 3.26Å; L199-F201 WeakPolarHBondContact CD1-O 3.35Å; L199-P202 HydrophobicContact CD2-CB 4.34Å
200V93.7Very high94.7Very high25 Ų2544.9 Ų44.915%0.15223%0.225CC..EExtended strand (participates in β ladder)trans-78-52.8174-1720000109.4L44 V46 V121 L168 F198L44-V200 HydrophobicContact CD2-CG1 4.16Å; L44-V200 HydrophobicContact CD2-CG2 4.2Å; V46-V200 HydrophobicContact CG2-CG1 4.25Å; V121-V200 HydrophobicContact CG1-CG2 4.48Å; V121-V200 WeakPolarHBondContact O-CB 3.44Å; V121-V200 PolarHBondContact O-N 3.07Å; L168-V200 HydrophobicContact CD2-CG2 3.99Å; F198-V200 HydrophobicContact CE2-CG2 4.18Å; F198-V200 PolarHBondContact O-N 3.01Å
201F89.2Confident94.8Very high102 Ų10248.3 Ų48.345%0.44724%0.242SC..EExtended strand (participates in β ladder)trans-156.5143.7171.450-98.1000111.2G120 V121 L199 L203G120-F201 WeakPolarHBondContact CA-O 3.42Å; V121-F201 HydrophobicContact CB-CD2 4.35Å; V121-F201 HydrophobicContact CB-CE1 4.26Å; V121-F201 HydrophobicContact CB-CE2 3.82Å; V121-F201 HydrophobicContact CB-CZ 3.76Å; V121-F201 HydrophobicContact CG1-CZ 4.33Å; V121-F201 HydrophobicContact CG2-CD2 4.34Å; V121-F201 HydrophobicContact CG2-CE2 3.46Å; V121-F201 VanDerWaalsContact CG2-CE2 3.46Å; V121-F201 HydrophobicContact CG2-CZ 3.58Å; V121-F201 PolarHBondContact N-O 3.07Å; L199-F201 VanDerWaalsContact CD1-C 3.45Å; L199-F201 VanDerWaalsContact CD1-O 3.26Å; L199-F201 WeakPolarHBondContact CD1-O 3.35Å; F201-L203 HydrophobicContact CD2-CD2 4.08Å; F201-L203 HydrophobicContact CD2-CG 4.37Å; F201-L203 HydrophobicContact CE2-CD2 3.96Å; F201-L203 HydrophobicContact CE2-CG 4.34Å
202P91.6Very high94.9Very high51 Ų5149 Ų4933%0.33125%0.247SC..EExtended strand (participates in β ladder)trans-72.9157.5172.332-34.8000111.6R118 L199R118-P202 VanDerWaalsContact CZ-CB 3.42Å; L199-P202 HydrophobicContact CD2-CB 4.34Å
203L85.7Confident94.9Very high122 Ų12242.1 Ų42.164%0.63923%0.225SC*.  trans-120.90172.8-67173.3000111.6K119 V121 Y170 F201K119-L203 HydrophobicContact CD-CB 4.41Å; K119-L203 HydrophobicContact CG-CB 4.11Å; K119-L203 PolarHBondContact O-N 3.49Å; K119-L203 VanDerWaalsContact O-N 3.11Å; V121-L203 HydrophobicContact CG2-CD1 4.34Å; Y170-L203 HydrophobicContact CD2-CD1 3.62Å; Y170-L203 HydrophobicContact CE2-CD1 3.45Å; Y170-L203 VanDerWaalsContact CE2-CD1 3.45Å; F201-L203 HydrophobicContact CD2-CD2 4.08Å; F201-L203 HydrophobicContact CD2-CG 4.37Å; F201-L203 HydrophobicContact CE2-CD2 3.96Å; F201-L203 HydrophobicContact CE2-CG 4.34Å

Retrieved 203 of 203 residues in 56.6 ms (Link to these results)