A0A5K4EL02_SCHMA Loading...

MEG-13

AlphaFold DB , UniProt , Accession A0A5K4EL02, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 125 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
1M51Low75.2Confident223 Ų223118.5 Ų118.5100%1.09961%0.606SS**  0112.40-155.5168.2-163.100105.9
2D65.9Low75.7Confident126 Ų126117 Ų11767%0.67460%0.599SS**  trans-59.3136.4-166.2-83.6-65.4000113.1T4 Y5D2-T4 PolarHBondContact O-N 3.43Å; D2-Y5 WeakPolarHBondContact O-CB 3.46Å; D2-Y5 PolarHBondContact O-N 3.16Å
3I73.6Confident76.4Confident150 Ų150114.6 Ų114.677%0.76959%0.587SS**Hα-helixtrans-50.8-30175-107.4163000111.9Y5 S6 W7I3-Y5 VanDerWaalsContact C-N 3.33Å; I3-Y5 PolarHBondContact O-N 3.03Å; I3-S6 WeakPolarHBondContact O-CB 3.41Å; I3-S6 PolarHBondContact O-N 3.43Å; I3-W7 PolarHBondContact O-N 3.13Å
4T74.4Confident76.6Confident97 Ų97112.3 Ų112.360%0.59558%0.577SS**Hα-helixtrans-59.9-40.7176.1-37.80000112.4D2 S6 W7 C8D2-T4 PolarHBondContact O-N 3.43Å; T4-S6 VanDerWaalsContact C-N 3.35Å; T4-W7 PolarHBondContact O-N 3.45Å; T4-C8 PolarHBondContact O-N 3.41Å; T4-C8 VanDerWaalsContact O-N 3.16Å; T4-C8 PolarHBondContact O-SG 3.49Å; T4-C8 VanDerWaalsContact O-SG 3.38Å
5Y76.4Confident76.7Confident154 Ų154113.4 Ų113.460%0.60458%0.583SS**Hα-helixtrans-69.4-38178.7-141.2-87.4000110.9D2 I3 W7 C8 I9D2-Y5 WeakPolarHBondContact O-CB 3.46Å; D2-Y5 PolarHBondContact O-N 3.16Å; I3-Y5 VanDerWaalsContact C-N 3.33Å; I3-Y5 PolarHBondContact O-N 3.03Å; Y5-W7 VanDerWaalsContact C-N 3.35Å; Y5-W7 PolarHBondContact O-N 3.37Å; Y5-C8 PolarHBondContact O-N 3.23Å; Y5-I9 HydrophobicContact CD1-CG1 4.18Å; Y5-I9 HydrophobicContact CE1-CD1 4.38Å; Y5-I9 HydrophobicContact CE1-CG1 4.45Å; Y5-I9 WeakPolarHBondContact O-CG1 3.47Å; Y5-I9 PolarHBondContact O-N 3.16Å; Y5-I9 VanDerWaalsContact O-N 3.13Å
6S78.5Confident76.7Confident71 Ų71113.7 Ų113.750%0.49759%0.585SS.*Hα-helixtrans-61-43.7175.5-168.90000111.6I3 T4 I9 I10I3-S6 WeakPolarHBondContact O-CB 3.41Å; I3-S6 PolarHBondContact O-N 3.43Å; T4-S6 VanDerWaalsContact C-N 3.35Å; S6-I9 PolarHBondContact O-N 2.91Å; S6-I10 WeakPolarHBondContact O-CD1 3.26Å; S6-I10 WeakPolarHBondContact O-CG1 3.38Å; S6-I10 PolarHBondContact O-N 3.03Å; S6-I10 VanDerWaalsContact O-N 3.16Å
7W80.1Confident76.5Confident189 Ų189112.8 Ų112.872%0.71658%0.581SS**Hα-helixtrans-62.4-44.4177-169.3-86000112.5I3 T4 Y5 I9 I10 C11I3-W7 PolarHBondContact O-N 3.13Å; T4-W7 PolarHBondContact O-N 3.45Å; Y5-W7 VanDerWaalsContact C-N 3.35Å; Y5-W7 PolarHBondContact O-N 3.37Å; W7-I9 PolarHBondContact O-N 3.39Å; W7-I10 PolarHBondContact O-N 3.22Å; W7-C11 PolarHBondContact O-N 3.3Å; W7-C11 PolarHBondContact O-SG 3.38Å
8C77.8Confident76Confident67 Ų67112.5 Ų112.545%0.45358%0.581SS.*Hα-helixtrans-61.8-42.1178.4-70.10000112.9T4 Y5 I10 C11 L12T4-C8 PolarHBondContact O-N 3.41Å; T4-C8 VanDerWaalsContact O-N 3.16Å; T4-C8 PolarHBondContact O-SG 3.49Å; T4-C8 VanDerWaalsContact O-SG 3.38Å; Y5-C8 PolarHBondContact O-N 3.23Å; C8-I10 VanDerWaalsContact C-N 3.34Å; C8-I10 PolarHBondContact O-N 3.47Å; C8-C11 PolarHBondContact O-N 2.89Å; C8-L12 WeakPolarHBondContact O-CG 3.25Å; C8-L12 PolarHBondContact O-N 3.32Å
9I83.1Confident75.1Confident80 Ų80108.7 Ų108.741%0.4157%0.573SS.*Hα-helixtrans-64.1-41.3178.1-65.4-64.4000110.8Y5 S6 W7 C11 L12 I13Y5-I9 HydrophobicContact CD1-CG1 4.18Å; Y5-I9 HydrophobicContact CE1-CD1 4.38Å; Y5-I9 HydrophobicContact CE1-CG1 4.45Å; Y5-I9 WeakPolarHBondContact O-CG1 3.47Å; Y5-I9 PolarHBondContact O-N 3.16Å; Y5-I9 VanDerWaalsContact O-N 3.13Å; S6-I9 PolarHBondContact O-N 2.91Å; W7-I9 PolarHBondContact O-N 3.39Å; I9-C11 PolarHBondContact O-N 2.85Å; I9-L12 PolarHBondContact O-N 2.94Å; I9-I13 HydrophobicContact CG2-CD1 3.78Å; I9-I13 HydrophobicContact CG2-CG1 4.46Å; I9-I13 VanDerWaalsContact O-CG1 3.25Å; I9-I13 WeakPolarHBondContact O-CG1 3.43Å; I9-I13 PolarHBondContact O-N 3.49Å
10I85.5Confident74Confident86 Ų86110.9 Ų110.944%0.44158%0.577SS.*Hα-helixtrans-63.4-41175.6-70.3161.3000111.3S6 W7 C8 I13 N14S6-I10 WeakPolarHBondContact O-CD1 3.26Å; S6-I10 WeakPolarHBondContact O-CG1 3.38Å; S6-I10 PolarHBondContact O-N 3.03Å; S6-I10 VanDerWaalsContact O-N 3.16Å; W7-I10 PolarHBondContact O-N 3.22Å; C8-I10 VanDerWaalsContact C-N 3.34Å; C8-I10 PolarHBondContact O-N 3.47Å; I10-I13 PolarHBondContact O-N 3.28Å; I10-N14 PolarHBondContact O-N 2.97Å; I10-N14 PolarHBondContact O-ND2 3.49Å
11C81.3Confident72.7Confident61 Ų61111 Ų11141%0.41258%0.578SS.*Hα-helixtrans-63.4-43.7175-71.70000112.4W7 C8 I9 I13 N14 L15W7-C11 PolarHBondContact O-N 3.3Å; W7-C11 PolarHBondContact O-SG 3.38Å; C8-C11 PolarHBondContact O-N 2.89Å; I9-C11 PolarHBondContact O-N 2.85Å; C11-I13 PolarHBondContact O-N 2.99Å; C11-N14 PolarHBondContact O-N 3.43Å; C11-L15 WeakPolarHBondContact O-CB 3.35Å; C11-L15 PolarHBondContact O-N 3.09Å
12L80.7Confident72.3Confident100 Ų100103.3 Ų103.352%0.52456%0.555SS.*Hα-helixtrans-62.9-41177.7-76.4168.8000112C8 I9 L15 L16C8-L12 WeakPolarHBondContact O-CG 3.25Å; C8-L12 PolarHBondContact O-N 3.32Å; I9-L12 PolarHBondContact O-N 2.94Å; L12-L15 PolarHBondContact O-N 3.03Å; L12-L16 WeakPolarHBondContact O-CB 3.22Å; L12-L16 PolarHBondContact O-N 2.88Å
13I84.5Confident71.4Confident86 Ų86103.8 Ų103.844%0.44155%0.554SS.*Hα-helixtrans-62.9-46.7175.8-69.1166.4000110.1I9 I10 C11 L15 L16 L17I9-I13 HydrophobicContact CG2-CD1 3.78Å; I9-I13 HydrophobicContact CG2-CG1 4.46Å; I9-I13 VanDerWaalsContact O-CG1 3.25Å; I9-I13 WeakPolarHBondContact O-CG1 3.43Å; I9-I13 PolarHBondContact O-N 3.49Å; I10-I13 PolarHBondContact O-N 3.28Å; C11-I13 PolarHBondContact O-N 2.99Å; I13-L15 VanDerWaalsContact C-N 3.3Å; I13-L15 PolarHBondContact O-N 3.49Å; I13-L16 PolarHBondContact O-N 3.29Å; I13-L17 HydrophobicContact CG2-CD1 3.39Å; I13-L17 VanDerWaalsContact O-CD1 3.26Å; I13-L17 WeakPolarHBondContact O-CD1 3.28Å; I13-L17 PolarHBondContact O-N 3.45Å
14N79.8Confident69.9Low82 Ų82100 Ų10044%0.43954%0.544SS..Hα-helixtrans-61.3-38.7175.8-77.6-59.5000112.3I10 C11 N18I10-N14 PolarHBondContact O-N 2.97Å; I10-N14 PolarHBondContact O-ND2 3.49Å; C11-N14 PolarHBondContact O-N 3.43Å; N14-N18 VanDerWaalsContact O-CB 3.25Å; N14-N18 WeakPolarHBondContact O-CB 3.44Å; N14-N18 PolarHBondContact O-N 3.45Å; N14-N18 PolarHBondContact O-ND2 2.8Å
15L77.1Confident68.2Low129 Ų129103.6 Ų103.668%0.67555%0.554SS**Hα-helixtrans-66-40.2176.6-153.1101.9000111.6C11 L12 I13 G19C11-L15 WeakPolarHBondContact O-CB 3.35Å; C11-L15 PolarHBondContact O-N 3.09Å; L12-L15 PolarHBondContact O-N 3.03Å; I13-L15 VanDerWaalsContact C-N 3.3Å; I13-L15 PolarHBondContact O-N 3.49Å; L15-G19 WeakPolarHBondContact O-CA 3.25Å; L15-G19 PolarHBondContact O-N 2.7Å
16L76.8Confident66.6Low118 Ų118102.9 Ų102.962%0.61856%0.557SS**Hα-helixtrans-67.6-42.7176.1-98153.5000112.2L12 I13 K20L12-L16 WeakPolarHBondContact O-CB 3.22Å; L12-L16 PolarHBondContact O-N 2.88Å; I13-L16 PolarHBondContact O-N 3.29Å; L16-K20 WeakPolarHBondContact O-CB 3.47Å; L16-K20 PolarHBondContact O-N 2.88Å
17L73.9Confident64.8Low99 Ų99106.4 Ų106.452%0.51857%0.57SS.*Hα-helixtrans-65.3-48.2175.5-90.5116.9000110.9I13 K20 L21I13-L17 HydrophobicContact CG2-CD1 3.39Å; I13-L17 VanDerWaalsContact O-CD1 3.26Å; I13-L17 WeakPolarHBondContact O-CD1 3.28Å; I13-L17 PolarHBondContact O-N 3.45Å; L17-K20 PolarHBondContact O-N 2.89Å; L17-L21 VanDerWaalsContact O-CB 3.28Å; L17-L21 WeakPolarHBondContact O-CB 3.33Å; L17-L21 VanDerWaalsContact O-CD1 3.29Å; L17-L21 WeakPolarHBondContact O-CD1 3.28Å; L17-L21 VanDerWaalsContact O-CG 3.28Å; L17-L21 WeakPolarHBondContact O-CG 3.29Å; L17-L21 PolarHBondContact O-N 2.89Å
18N68Low62.5Low107 Ų107104.5 Ų104.557%0.57257%0.574SS**Hα-helixtrans-68.1-35.4178.6-69.1-38.8000112.2N14 L21 G22N14-N18 VanDerWaalsContact O-CB 3.25Å; N14-N18 WeakPolarHBondContact O-CB 3.44Å; N14-N18 PolarHBondContact O-N 3.45Å; N14-N18 PolarHBondContact O-ND2 2.8Å; N18-L21 PolarHBondContact O-N 3.41Å; N18-G22 PolarHBondContact O-N 3.28Å
19G57.8Low60.6Low41 Ų41110.9 Ų110.942%0.42359%0.59SS.*Hα-helixtrans-70.8-39.3176.500000112.8L15 G22 Q23L15-G19 WeakPolarHBondContact O-CA 3.25Å; L15-G19 PolarHBondContact O-N 2.7Å; G19-G22 PolarHBondContact O-N 3.47Å; G19-Q23 PolarHBondContact O-N 2.85Å
20K52.8Low58.5Low151 Ų151112.6 Ų112.666%0.65760%0.604SS**Hα-helixtrans-72.2-32.4170.1-91-156.3168.2-162.90112.5L16 L17 G22 Q23 A24L16-K20 WeakPolarHBondContact O-CB 3.47Å; L16-K20 PolarHBondContact O-N 2.88Å; L17-K20 PolarHBondContact O-N 2.89Å; K20-G22 PolarHBondContact O-N 2.96Å; K20-Q23 CarbonylContact O-C 3.49Å; K20-Q23 PolarHBondContact O-N 3.31Å; K20-Q23 VanDerWaalsContact O-N 3.09Å; K20-A24 WeakPolarHBondContact O-CB 3.39Å; K20-A24 PolarHBondContact O-N 3.19Å
21L47.5Very low56.3Low114 Ų114117.3 Ų117.360%0.59762%0.624SS**Hα-helixtrans-64.8-31.9170-80.6154.1000111.1L17 N18 Q23L17-L21 VanDerWaalsContact O-CB 3.28Å; L17-L21 WeakPolarHBondContact O-CB 3.33Å; L17-L21 VanDerWaalsContact O-CD1 3.29Å; L17-L21 WeakPolarHBondContact O-CD1 3.28Å; L17-L21 VanDerWaalsContact O-CG 3.28Å; L17-L21 WeakPolarHBondContact O-CG 3.29Å; L17-L21 PolarHBondContact O-N 2.89Å; N18-L21 PolarHBondContact O-N 3.41Å; L21-Q23 VanDerWaalsContact C-N 3.26Å; L21-Q23 PolarHBondContact O-N 3.15Å
22G43.7Very low54.2Low61 Ų61120 Ų12063%0.62964%0.635SS**Hα-helixtrans-67.2-20.9170.600000114.6N18 G19 K20N18-G22 PolarHBondContact O-N 3.28Å; G19-G22 PolarHBondContact O-N 3.47Å; K20-G22 PolarHBondContact O-N 2.96Å
23Q45.5Very low52.2Low137 Ų137119.5 Ų119.564%0.6464%0.639SS**Hα-helixtrans-105.6-19.6175.4-67.6-174.2-3.500113.4G19 K20 L21 Q25 E26G19-Q23 PolarHBondContact O-N 2.85Å; K20-Q23 CarbonylContact O-C 3.49Å; K20-Q23 PolarHBondContact O-N 3.31Å; K20-Q23 VanDerWaalsContact O-N 3.09Å; L21-Q23 VanDerWaalsContact C-N 3.26Å; L21-Q23 PolarHBondContact O-N 3.15Å; Q23-Q25 PolarHBondContact O-N 3.3Å; Q23-E26 PolarHBondContact O-N 2.76Å
24A43.5Very low50.3Low69 Ų69120.1 Ų120.157%0.5765%0.647SS**THydrogen-bonded Turntrans-76.52.8176.300000112.7K20K20-A24 WeakPolarHBondContact O-CB 3.39Å; K20-A24 PolarHBondContact O-N 3.19Å
25Q37.8Very low48.7Very low173 Ų173120.4 Ų120.481%0.80865%0.652SS**THydrogen-bonded Turntrans-101.325.6166.9-149.1-165.8-71.900112.3Q23Q23-Q25 PolarHBondContact O-N 3.3Å
26E43.8Very low47.3Very low139 Ų139118.9 Ų118.965%0.6565%0.645SS**SBendtrans-89-8.1163.9-82.9-175.9152.200113.5Q23 N28Q23-E26 PolarHBondContact O-N 2.76Å; E26-N28 PolarHBondContact O-N 3.39Å
27D39.7Very low46.1Very low146 Ų146118.6 Ų118.678%0.78164%0.644SS**THydrogen-bonded Turntrans-101.941.7-171-65.7-21.4000114.5
28N32.5Very low45.3Very low148 Ų148117.4 Ų117.479%0.79164%0.641SS**THydrogen-bonded Turntrans-149.437.2163.7-130.3-13.8000113.6E26 T30E26-N28 PolarHBondContact O-N 3.39Å; N28-T30 VanDerWaalsContact C-N 3.28Å; N28-T30 PolarHBondContact O-N 3.19Å; N28-T30 VanDerWaalsContact O-N 3.15Å
29Y36.8Very low44.9Very low202 Ų202115.6 Ų115.679%0.79263%0.634SS**  trans-70.9102.8146.6-64.9-80.7000105E31Y29-E31 PolarHBondContact O-N 2.89Å
30T39Very low45Very low116 Ų116117.6 Ų117.671%0.71264%0.637SS**  trans-31.3118.2150.5-56.80000105.9N28 D32N28-T30 VanDerWaalsContact C-N 3.28Å; N28-T30 PolarHBondContact O-N 3.19Å; N28-T30 VanDerWaalsContact O-N 3.15Å; T30-D32 PolarHBondContact O-N 3.47Å
31E39.8Very low45.7Very low184 Ų184113.9 Ų113.986%0.8663%0.627SS**  trans-61.771.2164.6-167.2178.2-164.100105.3Y29 S33Y29-E31 PolarHBondContact O-N 2.89Å; E31-S33 PolarHBondContact O-N 3Å
32D37.4Very low46.6Very low118 Ų118112.1 Ų112.163%0.63163%0.625SS**  trans-59.699.5149.2-164.814.5000100.5T30 T34T30-D32 PolarHBondContact O-N 3.47Å; D32-T34 HydrophobicContact CB-CG2 4.42Å; D32-T34 PolarHBondContact O-N 2.66Å; D32-T34 PolarHBondContact O-OG1 2.62Å
33S39.2Very low47.9Very low89 Ų89113 Ų11362%0.62262%0.618SS**  trans-59.866.2161.1171.50000106.1E31 T35E31-S33 PolarHBondContact O-N 3Å; S33-T35 PolarHBondContact O-N 2.74Å; S33-T35 PolarHBondContact O-OG1 3.31Å
34T43.6Very low48.9Very low99 Ų99110.1 Ų110.161%0.60761%0.61SS**  trans-61.977.814554.50000103.4D32 D36D32-T34 HydrophobicContact CB-CG2 4.42Å; D32-T34 PolarHBondContact O-N 2.66Å; D32-T34 PolarHBondContact O-OG1 2.62Å; T34-D36 PolarHBondContact O-N 3.45Å
35T45.6Very low50.2Low88 Ų88110.8 Ų110.854%0.5461%0.607SS.*  trans-23.3114.1146.9-58.10000104.9S33 N37S33-T35 PolarHBondContact O-N 2.74Å; S33-T35 PolarHBondContact O-OG1 3.31Å; T35-N37 WeakPolarHBondContact O-CA 3.46Å; T35-N37 PolarHBondContact O-N 3.14Å; T35-N37 PolarHBondContact O-OD1 3.02Å
36D48.5Very low51.3Low97 Ų97109.8 Ų109.852%0.51960%0.602SS.*  trans-50.295.2171.7-78.9-52.2000105.4T34 T38 F59 N60T34-D36 PolarHBondContact O-N 3.45Å; D36-T38 PolarHBondContact O-N 2.61Å; D36-F59 HydrophobicContact CB-CE2 4.19Å; D36-N60 PolarHBondContact OD1-ND2 2.7Å
37N50.8Low52.1Low113 Ų113110.1 Ų110.160%0.60460%0.602SS**  trans-79.671.9-171.1-93.36.2000105.1T35 T39T35-N37 WeakPolarHBondContact O-CA 3.46Å; T35-N37 PolarHBondContact O-N 3.14Å; T35-N37 PolarHBondContact O-OD1 3.02Å; N37-T39 PolarHBondContact O-N 3.05Å
38T57.7Low53.4Low73 Ų73110 Ų11045%0.44860%0.601SS.*  trans-71.890.7172.3-54.30000105.7D36 V40 T57 E58D36-T38 PolarHBondContact O-N 2.61Å; T38-V40 HydrophobicContact CG2-CG2 4.07Å; T38-T57 HydrophobicContact CG2-CG2 4.08Å; T38-E58 WeakPolarHBondContact CA-O 3.48Å
39T60Low55.1Low70 Ų70106 Ų10643%0.42958%0.58SS.*EExtended strand (participates in β ladder)trans-90.4109.2176.3-55.90000107.1N37 E58N37-T39 PolarHBondContact O-N 3.05Å; T39-E58 PolarHBondContact N-O 3Å; T39-E58 PolarHBondContact O-N 2.81Å
40V61Low56.2Low82 Ų8298.1 Ų98.150%0.49755%0.553SS.*EExtended strand (participates in β ladder)trans-101112.3173.5-175.10000108.1T38 T55 T56 T57T38-V40 HydrophobicContact CG2-CG2 4.07Å; V40-T55 HydrophobicContact CG1-CG2 3.82Å; V40-T56 WeakPolarHBondContact CA-O 3.35Å; V40-T57 HydrophobicContact CG2-CG2 4.24Å
41T67.5Low57.7Low73 Ų7393.9 Ų93.945%0.44853%0.527SS..EExtended strand (participates in β ladder)trans-107.9120.6173.1-57.70000109T55 T56T41-T55 CarbonylContact O-C 3.6Å; T41-T55 WeakPolarHBondContact O-CA 3.19Å; T41-T56 PolarHBondContact N-O 3.48Å; T41-T56 PolarHBondContact O-N 3.43Å
42S65.5Low58.7Low77 Ų7787.2 Ų87.254%0.53850%0.498SS..EExtended strand (participates in β ladder)trans-110.7122.3174.6-61.30000109.6S54S42-S54 CarbonylContact C-O 3.59Å; S42-S54 WeakPolarHBondContact CA-O 3.38Å
43T70.3Confident60Low79 Ų7983.6 Ų83.649%0.48548%0.481SS..EExtended strand (participates in β ladder)trans-118118176.1-54.70000108.6T53 S54T43-T53 WeakPolarHBondContact O-CA 3.43Å; T43-S54 PolarHBondContact N-O 3.45Å; T43-S54 PolarHBondContact O-N 3.3Å
44T67.7Low61.4Low77 Ų7780.9 Ų80.947%0.47246%0.462SS..EExtended strand (participates in β ladder)trans-107.8121.7173.6-60.30000109.3E46 T51 V52 T53T44-E46 HydrophobicContact CG2-CG 4.46Å; T44-T51 HydrophobicContact CG2-CG2 3.63Å; T44-V52 CarbonylContact C-O 3.57Å; T44-V52 WeakPolarHBondContact CA-O 3.37Å; T44-T53 PolarHBondContact OG1-OG1 3.37Å; T44-T53 VanDerWaalsContact OG1-OG1 3.09Å
45T69.8Low62.7Low83 Ų8378.2 Ų78.251%0.50945%0.446SS..EExtended strand (participates in β ladder)trans-113.9119175.1-55.70000108.6V52T45-V52 PolarHBondContact N-O 3.37Å; T45-V52 PolarHBondContact O-N 3.4Å
46E60.5Low63.7Low152 Ų15276 Ų7671%0.7143%0.432SS*.EExtended strand (participates in β ladder)trans-98.7126.6174-65.4-177179.400109.8T44 T51T44-E46 HydrophobicContact CG2-CG 4.46Å; E46-T51 HydrophobicContact CG-CG2 4.12Å
47F60.6Low64.7Low147 Ų14773.6 Ų73.665%0.64542%0.421SS*.EExtended strand (participates in β ladder)trans-134.3109.9173.2-173.4-100.6000110.5N49 T50F47-N49 PolarHBondContact O-N 3.19Å; F47-T50 PolarHBondContact N-O 3.23Å; F47-T50 PolarHBondContact O-N 3.02Å
48N68.1Low65.3Low144 Ų14472.4 Ų72.477%0.7741%0.411SS*.THydrogen-bonded Turntrans53-91.6-175.8-69.6-27.3000113.2
49N67.7Low65.7Low64 Ų6473.5 Ų73.534%0.34241%0.41SS..THydrogen-bonded Turntrans-118.78.4-171.9-75.471.5000111.1F47 F71 T72 K74F47-N49 PolarHBondContact O-N 3.19Å; N49-F71 CarbonylContact O-C 3.44Å; N49-F71 WeakPolarHBondContact O-CA 3.4Å; N49-T72 WeakPolarHBondContact CB-O 3.49Å; N49-T72 PolarHBondContact ND2-O 3.48Å; N49-T72 CarbonylContact O-C 3.42Å; N49-T72 WeakPolarHBondContact O-CA 3.41Å; N49-T72 PolarHBondContact O-N 3.03Å; N49-K74 PolarHBondContact ND2-N 3.27Å
50T60.6Low65.8Low36 Ų3674.4 Ų74.422%0.22141%0.413CS..EExtended strand (participates in β ladder)trans-123.6121.3-176.3-51.40000108.8F47 V52 T69 E70 F71F47-T50 PolarHBondContact N-O 3.23Å; F47-T50 PolarHBondContact O-N 3.02Å; T50-V52 HydrophobicContact CG2-CG2 4.03Å; T50-T69 HydrophobicContact CG2-CG2 3.5Å; T50-E70 CarbonylContact C-O 3.57Å; T50-E70 WeakPolarHBondContact CA-O 3.44Å; T50-F71 HydrophobicContact CG2-CD1 3.87Å; T50-F71 HydrophobicContact CG2-CE1 3.69Å; T50-F71 HydrophobicContact CG2-CZ 4.37Å; T50-F71 WeakPolarHBondContact OG1-CD1 3.34Å
51T70.2Confident65.7Low26 Ų2677.9 Ų77.916%0.1643%0.428CS..EExtended strand (participates in β ladder)trans-104.4119.9171-59.10000107.7T44 E46 T69 E70T44-T51 HydrophobicContact CG2-CG2 3.63Å; E46-T51 HydrophobicContact CG-CG2 4.12Å; T51-T69 CarbonylContact O-C 3.59Å; T51-T69 WeakPolarHBondContact O-CA 3.25Å; T51-E70 PolarHBondContact N-O 3.42Å; T51-E70 PolarHBondContact O-N 3.05Å
52V60Low65.2Low44 Ų4478.1 Ų78.127%0.26743%0.43SS..EExtended strand (participates in β ladder)trans-110.2114.5175.8-176.20000108T44 T45 T50 T67 T68 T69T44-V52 CarbonylContact C-O 3.57Å; T44-V52 WeakPolarHBondContact CA-O 3.37Å; T45-V52 PolarHBondContact N-O 3.37Å; T45-V52 PolarHBondContact O-N 3.4Å; T50-V52 HydrophobicContact CG2-CG2 4.03Å; V52-T67 HydrophobicContact CG1-CG2 3.59Å; V52-T68 CarbonylContact C-O 3.52Å; V52-T68 WeakPolarHBondContact CA-O 3.47Å; V52-T69 HydrophobicContact CG2-CG2 4.04Å
53T65.5Low65.5Low42 Ų4278.5 Ų78.526%0.25843%0.429SS..EExtended strand (participates in β ladder)trans-108.1115.6174.5-62.90000108.8T43 T44 T67 T68T43-T53 WeakPolarHBondContact O-CA 3.43Å; T44-T53 PolarHBondContact OG1-OG1 3.37Å; T44-T53 VanDerWaalsContact OG1-OG1 3.09Å; T53-T67 WeakPolarHBondContact O-CA 3.45Å; T53-T68 PolarHBondContact N-O 3.45Å; T53-T68 PolarHBondContact O-N 3.06Å
54S67.9Low65.2Low33 Ų3378.4 Ų78.423%0.23143%0.428CS..EExtended strand (participates in β ladder)trans-105.1125.6172.2-63.30000109.5S42 T43 S66 T67S42-S54 CarbonylContact C-O 3.59Å; S42-S54 WeakPolarHBondContact CA-O 3.38Å; T43-S54 PolarHBondContact N-O 3.45Å; T43-S54 PolarHBondContact O-N 3.3Å; S54-S66 CarbonylContact C-O 3.55Å; S54-S66 WeakPolarHBondContact CA-O 3.2Å; S54-T67 WeakPolarHBondContact OG-CG2 3.39Å; S54-T67 PolarHBondContact OG-OG1 3.25Å; S54-T67 VanDerWaalsContact OG-OG1 3.07Å
55T70.8Confident65.1Low43 Ų4378.7 Ų78.726%0.26443%0.43SS..EExtended strand (participates in β ladder)trans-112.3119173.2-52.90000108.3V40 T41 T65 S66V40-T55 HydrophobicContact CG1-CG2 3.82Å; T41-T55 CarbonylContact O-C 3.6Å; T41-T55 WeakPolarHBondContact O-CA 3.19Å; T55-T65 CarbonylContact O-C 3.57Å; T55-T65 WeakPolarHBondContact O-CA 3.38Å; T55-S66 PolarHBondContact N-O 2.9Å; T55-S66 PolarHBondContact O-N 2.84Å
56T66.5Low65Low41 Ų4177.7 Ų77.725%0.25243%0.426SS..EExtended strand (participates in β ladder)trans-108.2119.8172.7-61.60000108.7V40 T41 T63 V64 T65V40-T56 WeakPolarHBondContact CA-O 3.35Å; T41-T56 PolarHBondContact N-O 3.48Å; T41-T56 PolarHBondContact O-N 3.43Å; T56-T63 HydrophobicContact CG2-CG2 3.43Å; T56-T63 VanDerWaalsContact CG2-CG2 3.43Å; T56-V64 CarbonylContact C-O 3.59Å; T56-V64 WeakPolarHBondContact CA-O 2.94Å; T56-T65 WeakPolarHBondContact OG1-CG2 3.31Å; T56-T65 PolarHBondContact OG1-OG1 3.24Å
57T69.5Low65.5Low46 Ų4674.3 Ų74.328%0.28242%0.416SS..EExtended strand (participates in β ladder)trans-109.3118.9174.1-57.20000108.3T38 V40 V64T38-T57 HydrophobicContact CG2-CG2 4.08Å; V40-T57 HydrophobicContact CG2-CG2 4.24Å; T57-V64 PolarHBondContact N-O 2.9Å; T57-V64 PolarHBondContact O-N 3.11Å
58E63.2Low65.9Low88 Ų8871.1 Ų71.141%0.41141%0.409SS..EExtended strand (participates in β ladder)trans-100.5122.9169.9-166.9172.6175.800109T38 T39 T62T38-E58 WeakPolarHBondContact CA-O 3.48Å; T39-E58 PolarHBondContact N-O 3Å; T39-E58 PolarHBondContact O-N 2.81Å; E58-T62 WeakPolarHBondContact CA-O 3.31Å
59F67.5Low65.6Low96 Ų9667 Ų6742%0.42139%0.389SS..EExtended strand (participates in β ladder)trans-136.9120.4176.4177.9-99.1000109.2D36 N61 T62D36-F59 HydrophobicContact CB-CE2 4.19Å; F59-N61 VanDerWaalsContact C-N 3.33Å; F59-N61 PolarHBondContact O-N 3.04Å; F59-T62 PolarHBondContact N-O 3.41Å; F59-T62 WeakPolarHBondContact O-CA 3.4Å; F59-T62 VanDerWaalsContact O-CB 3.25Å; F59-T62 WeakPolarHBondContact O-CB 3.07Å; F59-T62 PolarHBondContact O-N 3.03Å
60N62.1Low65.4Low90 Ų9069.9 Ų69.948%0.48140%0.4SS..THydrogen-bonded Turntrans43.657176.6-68.6-16.3000112.8D36 T62D36-N60 PolarHBondContact OD1-ND2 2.7Å; N60-T62 PolarHBondContact O-N 3.01Å; N60-T62 VanDerWaalsContact O-N 3.11Å
61N58.2Low65.1Low154 Ų15474.8 Ų74.882%0.82442%0.419SS*.THydrogen-bonded Turntrans63.69.3-179.4-57.223.2000115.1F59F59-N61 VanDerWaalsContact C-N 3.33Å; F59-N61 PolarHBondContact O-N 3.04Å
62T57.9Low64.7Low79 Ų7977.2 Ų77.249%0.48543%0.434SS..EExtended strand (participates in β ladder)trans-100.2116.7171.9-54.50000108.8E58 F59 N60 V64E58-T62 WeakPolarHBondContact CA-O 3.31Å; F59-T62 PolarHBondContact N-O 3.41Å; F59-T62 WeakPolarHBondContact O-CA 3.4Å; F59-T62 VanDerWaalsContact O-CB 3.25Å; F59-T62 WeakPolarHBondContact O-CB 3.07Å; F59-T62 PolarHBondContact O-N 3.03Å; N60-T62 PolarHBondContact O-N 3.01Å; N60-T62 VanDerWaalsContact O-N 3.11Å; T62-V64 HydrophobicContact CG2-CG2 4.25Å
63T71Confident64.1Low84 Ų8481.2 Ų81.252%0.51545%0.453SS..EExtended strand (participates in β ladder)trans-96.5118.8174.5-47.40000109.6T56T56-T63 HydrophobicContact CG2-CG2 3.43Å; T56-T63 VanDerWaalsContact CG2-CG2 3.43Å
64V63.7Low63Low78 Ų7886.9 Ų86.947%0.47348%0.475SS..EExtended strand (participates in β ladder)trans-111.3118173.3-177.70000108.5T56 T57 T62T56-V64 CarbonylContact C-O 3.59Å; T56-V64 WeakPolarHBondContact CA-O 2.94Å; T57-V64 PolarHBondContact N-O 2.9Å; T57-V64 PolarHBondContact O-N 3.11Å; T62-V64 HydrophobicContact CG2-CG2 4.25Å
65T65.8Low61.9Low82 Ų8290 Ų9050%0.50349%0.494SS..EExtended strand (participates in β ladder)trans-110.1123.1174.7-59.10000109.7T55 T56T55-T65 CarbonylContact O-C 3.57Å; T55-T65 WeakPolarHBondContact O-CA 3.38Å; T56-T65 WeakPolarHBondContact OG1-CG2 3.31Å; T56-T65 PolarHBondContact OG1-OG1 3.24Å
66S67.6Low60.5Low62 Ų6295.9 Ų95.943%0.43452%0.516SS..EExtended strand (participates in β ladder)trans-113.2127.4173.3-62.30000109.2S54 T55S54-S66 CarbonylContact C-O 3.55Å; S54-S66 WeakPolarHBondContact CA-O 3.2Å; T55-S66 PolarHBondContact N-O 2.9Å; T55-S66 PolarHBondContact O-N 2.84Å
67T70.6Confident59.2Low82 Ų8298.9 Ų98.950%0.50353%0.534SS..EExtended strand (participates in β ladder)trans-116.6121.2177.1-59.50000109.5V52 T53 S54V52-T67 HydrophobicContact CG1-CG2 3.59Å; T53-T67 WeakPolarHBondContact O-CA 3.45Å; S54-T67 WeakPolarHBondContact OG-CG2 3.39Å; S54-T67 PolarHBondContact OG-OG1 3.25Å; S54-T67 VanDerWaalsContact OG-OG1 3.07Å
68T70.1Confident57.7Low80 Ų80103.1 Ų103.149%0.49155%0.551SS.*EExtended strand (participates in β ladder)trans-107.6127.3173.4-54.20000108.5V52 T53 E70V52-T68 CarbonylContact C-O 3.52Å; V52-T68 WeakPolarHBondContact CA-O 3.47Å; T53-T68 PolarHBondContact N-O 3.45Å; T53-T68 PolarHBondContact O-N 3.06Å; T68-E70 HydrophobicContact CG2-CG 4.34Å
69T61.7Low56.5Low58 Ų58105.1 Ų105.136%0.35656%0.564SS.*EExtended strand (participates in β ladder)trans-114.1116.4175.4-57.70000108.8T50 T51 V52 F71T50-T69 HydrophobicContact CG2-CG2 3.5Å; T51-T69 CarbonylContact O-C 3.59Å; T51-T69 WeakPolarHBondContact O-CA 3.25Å; V52-T69 HydrophobicContact CG2-CG2 4.04Å; T69-F71 HydrophobicContact CG2-CD2 4.38Å; T69-F71 HydrophobicContact CG2-CE1 4.23Å; T69-F71 HydrophobicContact CG2-CE2 3.78Å; T69-F71 HydrophobicContact CG2-CZ 3.7Å
70E62.6Low54.9Low123 Ų123105.2 Ų105.258%0.57558%0.577SS**EExtended strand (participates in β ladder)trans-104.6126.5174.3-67.1-176-17900109.3T50 T51 T68T50-E70 CarbonylContact C-O 3.57Å; T50-E70 WeakPolarHBondContact CA-O 3.44Å; T51-E70 PolarHBondContact N-O 3.42Å; T51-E70 PolarHBondContact O-N 3.05Å; T68-E70 HydrophobicContact CG2-CG 4.34Å
71F55.3Low53.4Low139 Ų139107.2 Ų107.261%0.6159%0.593SS**EExtended strand (participates in β ladder)trans-96.5102.9171.8-62.3-83.6000108.2N49 T50 T69 N73N49-F71 CarbonylContact O-C 3.44Å; N49-F71 WeakPolarHBondContact O-CA 3.4Å; T50-F71 HydrophobicContact CG2-CD1 3.87Å; T50-F71 HydrophobicContact CG2-CE1 3.69Å; T50-F71 HydrophobicContact CG2-CZ 4.37Å; T50-F71 WeakPolarHBondContact OG1-CD1 3.34Å; T69-F71 HydrophobicContact CG2-CD2 4.38Å; T69-F71 HydrophobicContact CG2-CE1 4.23Å; T69-F71 HydrophobicContact CG2-CE2 3.78Å; T69-F71 HydrophobicContact CG2-CZ 3.7Å; F71-N73 VanDerWaalsContact C-N 3.26Å; F71-N73 PolarHBondContact O-N 3.13Å
72T60.5Low52.3Low77 Ų77104.7 Ų104.747%0.47258%0.583SS.*  trans-76.187.2162.8-510000107.4N49 K74N49-T72 WeakPolarHBondContact CB-O 3.49Å; N49-T72 PolarHBondContact ND2-O 3.48Å; N49-T72 CarbonylContact O-C 3.42Å; N49-T72 WeakPolarHBondContact O-CA 3.41Å; N49-T72 PolarHBondContact O-N 3.03Å; T72-K74 HydrophobicContact CG2-CB 4.36Å; T72-K74 PolarHBondContact O-N 3.42Å
73N48.2Very low51.4Low128 Ų128108.1 Ų108.168%0.68460%0.598SS**  trans-65.770.1160.1-98.5-12.6000108F71 P75F71-N73 VanDerWaalsContact C-N 3.26Å; F71-N73 PolarHBondContact O-N 3.13Å; N73-P75 WeakPolarHBondContact O-CD 3.36Å
74K43Very low49.7Very low162 Ų162108.1 Ų108.170%0.70462%0.615SS**  trans-56.6113.8161.8-160178.6-172.5-175.70103.8N49 T72 K76N49-K74 PolarHBondContact ND2-N 3.27Å; T72-K74 HydrophobicContact CG2-CB 4.36Å; T72-K74 PolarHBondContact O-N 3.42Å; K74-K76 PolarHBondContact O-N 3.47Å
75P43.3Very low48.2Very low98 Ų98108.6 Ų108.664%0.63662%0.618SS**  trans-55.4118.6178.421.2-29.7000105.2N73 V77N73-P75 WeakPolarHBondContact O-CD 3.36Å; P75-V77 HydrophobicContact CG-CG2 4.46Å; P75-V77 PolarHBondContact O-N 3.03Å
76K41.3Very low46.6Very low166 Ų166111.3 Ų111.372%0.72264%0.635SS**  trans-59.3100.4156.1-172-173.3179.1-166.90101.8K74 E78K74-K76 PolarHBondContact O-N 3.47Å; K76-E78 HydrophobicContact CD-CG 3.87Å; K76-E78 VanDerWaalsContact CE-OE1 3.26Å; K76-E78 WeakPolarHBondContact CE-OE1 3.47Å; K76-E78 HydrophobicContact CG-CG 4.05Å; K76-E78 IonicContact NZ-OE1 2.67Å; K76-E78 PolarHBondContact NZ-OE1 3.12Å; K76-E78 PolarHBondContact O-N 3.24Å
77V41Very low44.8Very low105 Ų105117.3 Ų117.364%0.63665%0.649SS**  trans-68.878.6171-165.30000103.6P75 N79P75-V77 HydrophobicContact CG-CG2 4.46Å; P75-V77 PolarHBondContact O-N 3.03Å; V77-N79 WeakPolarHBondContact CG1-OD1 3.47Å; V77-N79 PolarHBondContact O-N 3.36Å
78E37.6Very low43Very low135 Ų135119.6 Ų119.663%0.63166%0.663SS**  trans-65.596.9153.9-79.3-179.4175.600102.8K76 S80K76-E78 HydrophobicContact CD-CG 3.87Å; K76-E78 VanDerWaalsContact CE-OE1 3.26Å; K76-E78 WeakPolarHBondContact CE-OE1 3.47Å; K76-E78 HydrophobicContact CG-CG 4.05Å; K76-E78 IonicContact NZ-OE1 2.67Å; K76-E78 PolarHBondContact NZ-OE1 3.12Å; K76-E78 PolarHBondContact O-N 3.24Å; E78-S80 PolarHBondContact O-N 3.39Å
79N38Very low41.2Very low129 Ų129122 Ų12269%0.6968%0.678SS**  trans-58.481.3163.1-72.430.7000106.5V77 T81V77-N79 WeakPolarHBondContact CG1-OD1 3.47Å; V77-N79 PolarHBondContact O-N 3.36Å; N79-T81 PolarHBondContact O-N 3Å
80S34.2Very low39.8Very low99 Ų99125.5 Ų125.569%0.69270%0.699SS**  trans-75.991.9163.3-166.50000105.4E78 T82E78-S80 PolarHBondContact O-N 3.39Å; S80-T82 VanDerWaalsContact C-N 3.29Å; S80-T82 PolarHBondContact O-N 3.1Å; S80-T82 PolarHBondContact OG-OG1 2.82Å
81T30.5Very low38.8Very low132 Ų132124.9 Ų124.981%0.8171%0.706SS**  trans-68.795.4170.6-39.90000105.7N79N79-T81 PolarHBondContact O-N 3Å
82T34.9Very low37.9Very low101 Ų101123.7 Ų123.762%0.6272%0.715SS**  trans-129.497.5168.5-43.90000106.3S80 G84S80-T82 VanDerWaalsContact C-N 3.29Å; S80-T82 PolarHBondContact O-N 3.1Å; S80-T82 PolarHBondContact OG-OG1 2.82Å; T82-G84 PolarHBondContact O-N 2.86Å
83D37.6Very low36.8Very low151 Ų151128.3 Ų128.381%0.80773%0.731SS**THydrogen-bonded Turntrans32.481.5166.4-62.7-24.4000116.5T85D83-T85 PolarHBondContact O-N 3.07Å
84G36.3Very low36.2Very low84 Ų84130.7 Ų130.787%0.86674%0.735SS**THydrogen-bonded Turntrans81.44.2140.200000118.8T82T82-G84 PolarHBondContact O-N 2.86Å
85T31.3Very low35.9Very low88 Ų88127.3 Ų127.354%0.5473%0.733SS.*  trans-138.2112.9171.734.40000112.7D83 Y87D83-T85 PolarHBondContact O-N 3.07Å; T85-Y87 WeakPolarHBondContact O-CD2 3.36Å; T85-Y87 PolarHBondContact O-N 2.96Å; T85-Y87 WeakPolarHBondContact OG1-CE2 3.35Å
86T32.2Very low35.8Very low139 Ų139127.8 Ų127.885%0.85373%0.734SS**  trans-81.2112.1175-50.90000109.4
87Y30.5Very low35.6Very low187 Ų187125.4 Ų125.473%0.73374%0.738SS**  trans-100.7118.6170.9-63.2-85.7000109.5T85T85-Y87 WeakPolarHBondContact O-CD2 3.36Å; T85-Y87 PolarHBondContact O-N 2.96Å; T85-Y87 WeakPolarHBondContact OG1-CE2 3.35Å
88T32.2Very low35.8Very low130 Ų130126.3 Ų126.380%0.79874%0.744SS**  trans-96.1105.2173.1-50000109
89T33.4Very low36Very low130 Ų130125.4 Ų125.480%0.79875%0.752SS**  trans-96.8107.8168.2340000109.1P91T89-P91 WeakPolarHBondContact O-CD 3.5Å
90T32.3Very low36.4Very low132 Ų132124.6 Ų124.681%0.8175%0.752SS**PPolyproline II helixtrans-71.1121.9173.742.80000110.5
91P40.8Very low36.9Very low111 Ų111126.7 Ų126.772%0.72176%0.756SS**PPolyproline II helixtrans-77.4139.9177.3-10.727.1000111.9T89T89-P91 WeakPolarHBondContact O-CD 3.5Å
92S37.3Very low37.8Very low114 Ų114124.4 Ų124.480%0.79774%0.739SS**PPolyproline II helixtrans-74.1134.5-178.764.90000112.9F94S92-F94 PolarHBondContact O-N 3.19Å
93H36.6Very low38.6Very low173 Ų173122.1 Ų122.180%0.80173%0.73SS**PPolyproline II helixtrans-56.9117.4172.6-148.3-95.2000110.8S95H93-S95 PolarHBondContact ND1-OG 3.32Å
94F35.7Very low39.5Very low178 Ų178119.3 Ų119.378%0.78172%0.718SS**  trans-104.1105.7169.7-158.1-94.6000108.4S92S92-F94 PolarHBondContact O-N 3.19Å
95S38Very low40.3Very low92 Ų92119.2 Ų119.264%0.64370%0.698SS**  trans-85.6112174-65.50000108.8H93H93-S95 PolarHBondContact ND1-OG 3.32Å
96T40Very low41.6Very low107 Ų107117.3 Ų117.366%0.65669%0.688SS**PPolyproline II helixtrans-82.1130.6177.2-25.40000110.1
97S37.7Very low43.1Very low117 Ų117118.3 Ų118.382%0.81868%0.681SS**PPolyproline II helixtrans-65.2129.3-175.5-510000113.1S99S97-S99 PolarHBondContact O-N 3.48Å
98T44.1Very low44.8Very low123 Ų123116.7 Ų116.776%0.75568%0.678SS**PPolyproline II helixtrans-66.7117171.5-43.70000110.3T100T98-T100 PolarHBondContact O-N 3.21Å
99S42Very low46.5Very low116 Ų116115.2 Ų115.281%0.81166%0.662SS**  trans-87.495.8165.958.50000109.3S97 N101S97-S99 PolarHBondContact O-N 3.48Å; S99-N101 PolarHBondContact O-N 3.37Å
100T47.3Very low48.5Very low112 Ų112117.4 Ų117.469%0.68766%0.655SS**  trans-70115.4166-49.80000106.8T98 D102T98-T100 PolarHBondContact O-N 3.21Å; T100-D102 PolarHBondContact O-N 3.25Å
101N45Very low50.7Low144 Ų144115.1 Ų115.177%0.7764%0.637SS**  trans-71.973.8175.9-168-6.3000109.1S99 A103S99-N101 PolarHBondContact O-N 3.37Å; N101-A103 PolarHBondContact O-N 2.8Å
102D49.1Very low52.5Low84 Ų84116 Ų11645%0.44963%0.63SS.*  trans-80.948.4-177-160.412.9000111.6T100 T104 N105T100-D102 PolarHBondContact O-N 3.25Å; D102-T104 VanDerWaalsContact C-N 3.27Å; D102-N105 VanDerWaalsContact CG-CB 3.42Å; D102-N105 WeakPolarHBondContact OD1-CB 3.47Å; D102-N105 PolarHBondContact OD1-N 2.82Å; D102-N105 WeakPolarHBondContact OD2-CB 3.47Å; D102-N105 PolarHBondContact OD2-ND2 3.02Å
103A52.1Low54.5Low52 Ų52117.6 Ų117.643%0.4362%0.62SS.*Hα-helixtrans-74.3-19.8177.500000112.4N101N101-A103 PolarHBondContact O-N 2.8Å
104T54.8Low56.5Low92 Ų92114.9 Ų114.956%0.56461%0.609SS**Hα-helixtrans-77.9-42-179.750.50000111.8D102 S106 K107 F108D102-T104 VanDerWaalsContact C-N 3.27Å; T104-S106 VanDerWaalsContact C-N 3.32Å; T104-S106 PolarHBondContact O-N 2.81Å; T104-K107 PolarHBondContact O-N 2.82Å; T104-F108 PolarHBondContact O-N 3.09Å
105N53.9Low58.7Low83 Ų83110.5 Ų110.544%0.44459%0.593SS.*Hα-helixtrans-63.4-37.3179.7-169.50.7000112.2D102 K107 F108 Q109D102-N105 VanDerWaalsContact CG-CB 3.42Å; D102-N105 WeakPolarHBondContact OD1-CB 3.47Å; D102-N105 PolarHBondContact OD1-N 2.82Å; D102-N105 WeakPolarHBondContact OD2-CB 3.47Å; D102-N105 PolarHBondContact OD2-ND2 3.02Å; N105-K107 VanDerWaalsContact C-N 3.28Å; N105-K107 PolarHBondContact O-N 2.79Å; N105-F108 PolarHBondContact O-N 2.78Å; N105-Q109 VanDerWaalsContact O-CB 3.31Å; N105-Q109 WeakPolarHBondContact O-CB 3.42Å; N105-Q109 PolarHBondContact O-N 2.82Å
106S59.4Low60.7Low48 Ų48109.1 Ų109.134%0.33658%0.58SS.*Hα-helixtrans-60.6-34.6177.5-166.30000113.3T104 R110T104-S106 VanDerWaalsContact C-N 3.32Å; T104-S106 PolarHBondContact O-N 2.81Å; S106-R110 WeakPolarHBondContact O-CB 3.4Å; S106-R110 WeakPolarHBondContact O-CG 3.19Å; S106-R110 PolarHBondContact O-N 3.38Å
107K63.2Low62.7Low159 Ų159106 Ų10669%0.69157%0.569SS**Hα-helixtrans-74.3-45.1-179.9-67.1-178.9-176.4178.60111.8T104 N105 Q109 R110 I111T104-K107 PolarHBondContact O-N 2.82Å; N105-K107 VanDerWaalsContact C-N 3.28Å; N105-K107 PolarHBondContact O-N 2.79Å; K107-Q109 VanDerWaalsContact C-N 3.35Å; K107-R110 PolarHBondContact O-N 3.41Å; K107-I111 PolarHBondContact O-N 2.94Å; K107-I111 VanDerWaalsContact O-N 3.1Å
108F65.2Low64.7Low154 Ų154105.4 Ų105.468%0.67556%0.556SS**Hα-helixtrans-64-41.1177.7-83.8-75.8000112T104 N105 R110 I111 F112T104-F108 PolarHBondContact O-N 3.09Å; N105-F108 PolarHBondContact O-N 2.78Å; F108-R110 VanDerWaalsContact C-N 3.34Å; F108-R110 PolarHBondContact O-N 2.8Å; F108-I111 WeakPolarHBondContact O-CG2 3.18Å; F108-I111 PolarHBondContact O-N 3.24Å; F108-F112 WeakPolarHBondContact O-CB 3.45Å; F108-F112 PolarHBondContact O-N 3.07Å
109Q69.7Low66.5Low98 Ų98104.7 Ų104.746%0.45855%0.547SS..Hα-helixtrans-63.4-41.1176.8-170.5174.13400111.7N105 K107 F112 Y113N105-Q109 VanDerWaalsContact O-CB 3.31Å; N105-Q109 WeakPolarHBondContact O-CB 3.42Å; N105-Q109 PolarHBondContact O-N 2.82Å; K107-Q109 VanDerWaalsContact C-N 3.35Å; Q109-F112 PolarHBondContact O-N 2.85Å; Q109-Y113 HydrophobicContact CG-CD2 3.79Å; Q109-Y113 HydrophobicContact CG-CE2 3.36Å; Q109-Y113 WeakPolarHBondContact O-CD2 3.39Å; Q109-Y113 PolarHBondContact O-N 2.73Å; Q109-Y113 VanDerWaalsContact O-N 3.13Å
110R73.4Confident67.9Low176 Ų176102.2 Ų102.266%0.66453%0.529SS*.Hα-helixtrans-63.5-44.5176.7-76.8174-172-1541.6113.1S106 K107 F108 M114S106-R110 WeakPolarHBondContact O-CB 3.4Å; S106-R110 WeakPolarHBondContact O-CG 3.19Å; S106-R110 PolarHBondContact O-N 3.38Å; K107-R110 PolarHBondContact O-N 3.41Å; F108-R110 VanDerWaalsContact C-N 3.34Å; F108-R110 PolarHBondContact O-N 2.8Å; R110-M114 PolarHBondContact O-N 2.83Å; R110-M114 VanDerWaalsContact O-N 3.12Å
111I79Confident69.2Low84 Ų84102.8 Ų102.843%0.43153%0.527SS..Hα-helixtrans-68-38.6179.6-168.465.1000111.3K107 F108 Y113 M114 I115K107-I111 PolarHBondContact O-N 2.94Å; K107-I111 VanDerWaalsContact O-N 3.1Å; F108-I111 WeakPolarHBondContact O-CG2 3.18Å; F108-I111 PolarHBondContact O-N 3.24Å; I111-Y113 PolarHBondContact O-N 2.8Å; I111-M114 HydrophobicContact CD1-CE 4.26Å; I111-M114 PolarHBondContact O-N 2.8Å; I111-I115 HydrophobicContact CG1-CD1 4.08Å; I111-I115 WeakPolarHBondContact O-CG1 3.05Å; I111-I115 PolarHBondContact O-N 2.8Å
112F79.3Confident70.4Confident129 Ų129103 Ų10357%0.56653%0.526SS*.Hα-helixtrans-59.6-48.2176.9-177.7-97.5000111.8F108 Q109 M114 I115 V116F108-F112 WeakPolarHBondContact O-CB 3.45Å; F108-F112 PolarHBondContact O-N 3.07Å; Q109-F112 PolarHBondContact O-N 2.85Å; F112-M114 VanDerWaalsContact C-N 3.33Å; F112-M114 PolarHBondContact O-N 2.81Å; F112-I115 PolarHBondContact O-N 3.39Å; F112-V116 HydrophobicContact CD1-CG2 4.27Å; F112-V116 HydrophobicContact CE1-CG2 3.88Å; F112-V116 HydrophobicContact CE2-CG2 4.33Å; F112-V116 HydrophobicContact CZ-CG2 3.92Å; F112-V116 WeakPolarHBondContact O-CG2 3.26Å; F112-V116 PolarHBondContact O-N 3.47Å
113Y79.4Confident71.2Confident148 Ų148103 Ų10358%0.5854%0.537SS*.Hα-helixtrans-65.4-34.4177.2-73.8-58.1000113.3Q109 I111 G117Q109-Y113 HydrophobicContact CG-CD2 3.79Å; Q109-Y113 HydrophobicContact CG-CE2 3.36Å; Q109-Y113 WeakPolarHBondContact O-CD2 3.39Å; Q109-Y113 PolarHBondContact O-N 2.73Å; Q109-Y113 VanDerWaalsContact O-N 3.13Å; I111-Y113 PolarHBondContact O-N 2.8Å; Y113-G117 PolarHBondContact O-N 2.9Å
114M79Confident71.8Confident117 Ų117107.4 Ų107.458%0.57655%0.552SS**Hα-helixtrans-62.5-45.3173.5-92.3-162.3-79.400111.8R110 I111 F112 G117 L118R110-M114 PolarHBondContact O-N 2.83Å; R110-M114 VanDerWaalsContact O-N 3.12Å; I111-M114 HydrophobicContact CD1-CE 4.26Å; I111-M114 PolarHBondContact O-N 2.8Å; F112-M114 VanDerWaalsContact C-N 3.33Å; F112-M114 PolarHBondContact O-N 2.81Å; M114-G117 PolarHBondContact O-N 3.02Å; M114-L118 VanDerWaalsContact O-CG 3.31Å; M114-L118 WeakPolarHBondContact O-CG 3.42Å; M114-L118 PolarHBondContact O-N 3.35Å
115I81.8Confident71.3Confident86 Ų86112.9 Ų112.944%0.44158%0.578SS.*Hα-helixtrans-64.8-47.7-179.5-65.5166.2000110.8I111 F112 G117 L118 I119I111-I115 HydrophobicContact CG1-CD1 4.08Å; I111-I115 WeakPolarHBondContact O-CG1 3.05Å; I111-I115 PolarHBondContact O-N 2.8Å; F112-I115 PolarHBondContact O-N 3.39Å; I115-G117 VanDerWaalsContact C-N 3.29Å; I115-G117 PolarHBondContact O-N 2.9Å; I115-L118 PolarHBondContact O-N 2.83Å; I115-I119 HydrophobicContact CG2-CD1 3.77Å; I115-I119 HydrophobicContact CG2-CG1 4.46Å; I115-I119 WeakPolarHBondContact O-CG1 3.43Å; I115-I119 PolarHBondContact O-N 2.7Å
116V79.8Confident72.2Confident63 Ų63114.4 Ų114.438%0.38258%0.584SS.*Hα-helixtrans-61.5-39.3179174.10000111.4F112 S120F112-V116 HydrophobicContact CD1-CG2 4.27Å; F112-V116 HydrophobicContact CE1-CG2 3.88Å; F112-V116 HydrophobicContact CE2-CG2 4.33Å; F112-V116 HydrophobicContact CZ-CG2 3.92Å; F112-V116 WeakPolarHBondContact O-CG2 3.26Å; F112-V116 PolarHBondContact O-N 3.47Å; V116-S120 WeakPolarHBondContact O-CB 3.44Å; V116-S120 PolarHBondContact O-N 2.99Å; V116-S120 PolarHBondContact O-OG 2.67Å
117G81.8Confident72.8Confident41 Ų41117.8 Ų117.842%0.42360%0.598SS.*Hα-helixtrans-63.4-42.3175.200000112.9Y113 M114 I115 S120 L121Y113-G117 PolarHBondContact O-N 2.9Å; M114-G117 PolarHBondContact O-N 3.02Å; I115-G117 VanDerWaalsContact C-N 3.29Å; I115-G117 PolarHBondContact O-N 2.9Å; G117-S120 PolarHBondContact O-N 2.7Å; G117-L121 PolarHBondContact O-N 3.49Å
118L79.9Confident73.4Confident104 Ų104115.6 Ų115.655%0.54559%0.592SS.*Hα-helixtrans-66.5-41.4178.3-72.9169.2000112.5M114 I115 S120 L121 M122M114-L118 VanDerWaalsContact O-CG 3.31Å; M114-L118 WeakPolarHBondContact O-CG 3.42Å; M114-L118 PolarHBondContact O-N 3.35Å; I115-L118 PolarHBondContact O-N 2.83Å; L118-S120 VanDerWaalsContact C-N 3.34Å; L118-L121 PolarHBondContact O-N 2.79Å; L118-M122 PolarHBondContact O-N 3Å
119I80.6Confident73.9Confident109 Ų109113.3 Ų113.356%0.55959%0.587SS**Hα-helixtrans-63.9-43.1176.5-63.6164.1000110.2I115 L121 M122 A123I115-I119 HydrophobicContact CG2-CD1 3.77Å; I115-I119 HydrophobicContact CG2-CG1 4.46Å; I115-I119 WeakPolarHBondContact O-CG1 3.43Å; I115-I119 PolarHBondContact O-N 2.7Å; I119-L121 VanDerWaalsContact C-N 3.27Å; I119-L121 PolarHBondContact O-N 2.91Å; I119-M122 PolarHBondContact O-N 2.97Å; I119-A123 PolarHBondContact O-N 2.7Å
120S72.4Confident74.1Confident64 Ų64114.3 Ų114.345%0.44860%0.596SS.*Hα-helixtrans-63.2-34.8178.3-56.90000112.1V116 G117 L118V116-S120 WeakPolarHBondContact O-CB 3.44Å; V116-S120 PolarHBondContact O-N 2.99Å; V116-S120 PolarHBondContact O-OG 2.67Å; G117-S120 PolarHBondContact O-N 2.7Å; L118-S120 VanDerWaalsContact C-N 3.34Å
121L74.9Confident74.2Confident123 Ų123110.1 Ų110.164%0.64459%0.591SS**Hα-helixtrans-70.1-40175.9-172.166.5000112G117 L118 I119 A123 I124G117-L121 PolarHBondContact O-N 3.49Å; L118-L121 PolarHBondContact O-N 2.79Å; I119-L121 VanDerWaalsContact C-N 3.27Å; I119-L121 PolarHBondContact O-N 2.91Å; L121-A123 VanDerWaalsContact C-N 3.31Å; L121-A123 PolarHBondContact O-N 3.21Å; L121-I124 PolarHBondContact O-N 3.44Å
122M69.4Low73.8Confident150 Ų150112 Ų11274%0.73960%0.602SS**Hα-helixtrans-68.2-29.4176.6-71.4-168.2-177.500113L118 I119 I124L118-M122 PolarHBondContact O-N 3Å; I119-M122 PolarHBondContact O-N 2.97Å; M122-I124 VanDerWaalsContact C-N 3.28Å; M122-I124 PolarHBondContact O-N 3.34Å
123A66.3Low73.4Confident83 Ų83110.7 Ų110.769%0.68661%0.605SS**THydrogen-bonded Turntrans-74.9-14.4179.800000114.2I119 L121I119-A123 PolarHBondContact O-N 2.7Å; L121-A123 VanDerWaalsContact C-N 3.31Å; L121-A123 PolarHBondContact O-N 3.21Å
124I63.8Low72.9Confident144 Ų144107.6 Ų107.674%0.73861%0.607SS**THydrogen-bonded Turntrans-91.8-14.3179.5-68.3168.9000111.9L121 M122L121-I124 PolarHBondContact O-N 3.44Å; M122-I124 VanDerWaalsContact C-N 3.28Å; M122-I124 PolarHBondContact O-N 3.34Å
125N45.3Very low72.4Confident207 Ų207106.7 Ų106.7100%1.10761%0.61SS**  trans-103.40179.5-123.933.5000111.6

Retrieved 125 of 125 residues in 65.3 ms (Link to these results)