G4V6V3_SCHMA Loading...

Hypotheticial protein

AlphaFold DB , UniProt , Accession G4V6V3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 79 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
1M49.5Very low51.6Low259 Ų259125.3 Ų125.3100%1.27669%0.689SS**  074.40-74.6159.3158.100109.4
2G49.7Very low51.9Low56 Ų56122.3 Ų122.358%0.57767%0.669SS**  trans-150.98.6-166.400000118.4
3N56.9Low52.3Low130 Ų130122.5 Ų122.570%0.69567%0.666SS**SBendtrans-123.6-0.7-168.4-57.521.4000114.1
4I53.9Low52.3Low146 Ų146116.4 Ų116.475%0.74965%0.645SS**Hα-helixtrans-79.3-35.8-177-79151.6000111.8I6 K7 L8I4-I6 VanDerWaalsContact C-N 3.27Å; I4-I6 PolarHBondContact O-N 3.27Å; I4-K7 PolarHBondContact O-N 3.25Å; I4-L8 PolarHBondContact O-N 3.3Å
5S53.9Low52.4Low94 Ų94111.5 Ų111.566%0.65762%0.62SS**Hα-helixtrans-64.6-28.9-177.5-51.10000113.7M9S5-M9 PolarHBondContact O-N 3.33Å
6I54.1Low52.4Low128 Ų128111.1 Ų111.166%0.65662%0.615SS**Hα-helixtrans-76.2-38.3-178-56.7170.4000110.9I4 A10I4-I6 VanDerWaalsContact C-N 3.27Å; I4-I6 PolarHBondContact O-N 3.27Å; I6-A10 PolarHBondContact O-N 3.45Å
7K48.2Very low52.4Low160 Ų160113.1 Ų113.170%0.69662%0.616SS**Hα-helixtrans-67.8-38.2177.3-73.2-172.5174.3-173.10111.7I4 A10 I11I4-K7 PolarHBondContact O-N 3.25Å; K7-A10 PolarHBondContact O-N 2.82Å; K7-I11 WeakPolarHBondContact O-CG1 3.01Å; K7-I11 PolarHBondContact O-N 3.35Å
8L47Very low52.3Low107 Ų107112.8 Ų112.856%0.5661%0.613SS**Hα-helixtrans-67.5-41.7179.1-158.471.7000112I4 A10 I11 I12I4-L8 PolarHBondContact O-N 3.3Å; L8-A10 VanDerWaalsContact C-N 3.32Å; L8-A10 PolarHBondContact O-N 3.43Å; L8-I11 PolarHBondContact O-N 2.02Å; L8-I12 HydrophobicContact CG-CD1 4.31Å; L8-I12 WeakPolarHBondContact O-CD1 2.83Å; L8-I12 VanDerWaalsContact O-CG1 3.27Å; L8-I12 WeakPolarHBondContact O-CG1 3.19Å; L8-I12 PolarHBondContact O-N 3.14Å
9M48.8Very low52.2Low125 Ų125108.9 Ų108.962%0.61660%0.595SS**Hα-helixtrans-59.8-39.6174-90.7-85.2-166.500112.8S5 I12 M13S5-M9 PolarHBondContact O-N 3.33Å; M9-I12 PolarHBondContact O-N 3.41Å; M9-M13 PolarHBondContact O-N 2.94Å
10A52.9Low51.9Low66 Ų66110.6 Ų110.655%0.54560%0.599SS.*Hα-helixtrans-66.8-38.4178.400000112.4I6 K7 L8 G14I6-A10 PolarHBondContact O-N 3.45Å; K7-A10 PolarHBondContact O-N 2.82Å; L8-A10 VanDerWaalsContact C-N 3.32Å; L8-A10 PolarHBondContact O-N 3.43Å; A10-G14 PolarHBondContact O-N 2.89Å
11I52.9Low51.8Low107 Ų107109.9 Ų109.955%0.54959%0.594SS.*Hα-helixtrans-65-45.8175.9-64.1163000109.8K7 L8 M13 G14 V15K7-I11 WeakPolarHBondContact O-CG1 3.01Å; K7-I11 PolarHBondContact O-N 3.35Å; L8-I11 PolarHBondContact O-N 2.02Å; I11-M13 PolarHBondContact O-N 3.31Å; I11-G14 PolarHBondContact O-N 3.37Å; I11-V15 HydrophobicContact CG2-CG2 4.39Å; I11-V15 VanDerWaalsContact O-CG2 3.29Å; I11-V15 WeakPolarHBondContact O-CG2 3.42Å; I11-V15 PolarHBondContact O-N 3.23Å
12I55.3Low51.7Low89 Ų89100.2 Ų100.246%0.45655%0.547SS..Hα-helixtrans-62-44.4179.3-63.6162000111.1L8 M9 G14 V15 L16L8-I12 HydrophobicContact CG-CD1 4.31Å; L8-I12 WeakPolarHBondContact O-CD1 2.83Å; L8-I12 VanDerWaalsContact O-CG1 3.27Å; L8-I12 WeakPolarHBondContact O-CG1 3.19Å; L8-I12 PolarHBondContact O-N 3.14Å; M9-I12 PolarHBondContact O-N 3.41Å; I12-G14 VanDerWaalsContact C-N 3.35Å; I12-G14 PolarHBondContact O-N 3.21Å; I12-V15 PolarHBondContact O-N 2.92Å; I12-L16 HydrophobicContact CG2-CD1 3.95Å; I12-L16 WeakPolarHBondContact O-CB 3.42Å; I12-L16 VanDerWaalsContact O-CG 3.28Å; I12-L16 WeakPolarHBondContact O-CG 3.32Å; I12-L16 PolarHBondContact O-N 3.19Å
13M56.9Low51.3Low126 Ų126100.3 Ų100.362%0.62154%0.539SS*.Hα-helixtrans-65.4-36.6176-77.6-170.6-177.900112.9M9 I11 K17M9-M13 PolarHBondContact O-N 2.94Å; I11-M13 PolarHBondContact O-N 3.31Å; M13-K17 PolarHBondContact O-N 3.14Å
14G51.7Low50.6Low37 Ų3797.9 Ų97.938%0.38153%0.532SS..Hα-helixtrans-64.7-44175.900000112.3A10 I11 I12 K17 L18A10-G14 PolarHBondContact O-N 2.89Å; I11-G14 PolarHBondContact O-N 3.37Å; I12-G14 VanDerWaalsContact C-N 3.35Å; I12-G14 PolarHBondContact O-N 3.21Å; G14-K17 PolarHBondContact O-N 2.96Å; G14-L18 PolarHBondContact O-N 3.2Å
15V54.2Low50.1Low43 Ų4396.4 Ų96.426%0.26152%0.524SS..Hα-helixtrans-65.2-44.1176.8175.80000110.8I11 I12 K17 L18 S19 Y68I11-V15 HydrophobicContact CG2-CG2 4.39Å; I11-V15 VanDerWaalsContact O-CG2 3.29Å; I11-V15 WeakPolarHBondContact O-CG2 3.42Å; I11-V15 PolarHBondContact O-N 3.23Å; I12-V15 PolarHBondContact O-N 2.92Å; V15-K17 VanDerWaalsContact C-N 3.34Å; V15-K17 PolarHBondContact O-N 3.06Å; V15-L18 PolarHBondContact O-N 3.18Å; V15-S19 PolarHBondContact O-N 3.29Å; V15-S19 PolarHBondContact O-OG 3.18Å; V15-Y68 HydrophobicContact CG1-CE1 4.43Å
16L51.9Low49.5Very low104 Ų10496.2 Ų96.255%0.54552%0.522SS..Hα-helixtrans-61.5-39.6177.2-73.6167.5000112.8I12 S19 Q20I12-L16 HydrophobicContact CG2-CD1 3.95Å; I12-L16 WeakPolarHBondContact O-CB 3.42Å; I12-L16 VanDerWaalsContact O-CG 3.28Å; I12-L16 WeakPolarHBondContact O-CG 3.32Å; I12-L16 PolarHBondContact O-N 3.19Å; L16-S19 PolarHBondContact O-N 2.97Å; L16-Q20 WeakPolarHBondContact O-CG 3.38Å; L16-Q20 PolarHBondContact O-N 3.44Å; L16-Q20 VanDerWaalsContact O-N 3.11Å
17K53.4Low48.8Very low146 Ų14698.3 Ų98.364%0.63553%0.529SS*.Hα-helixtrans-67.4-38.9175-81.9-155.2174.7-168.60112.3M13 G14 V15 Q20 I21M13-K17 PolarHBondContact O-N 3.14Å; G14-K17 PolarHBondContact O-N 2.96Å; V15-K17 VanDerWaalsContact C-N 3.34Å; V15-K17 PolarHBondContact O-N 3.06Å; K17-Q20 PolarHBondContact O-N 2.93Å; K17-I21 WeakPolarHBondContact O-CD1 3.47Å; K17-I21 VanDerWaalsContact O-CG1 3.26Å; K17-I21 WeakPolarHBondContact O-CG1 3.34Å; K17-I21 PolarHBondContact O-N 2.03Å; K17-I21 VanDerWaalsContact O-N 3.1Å
18L49.9Very low48.3Very low108 Ų10895.1 Ų95.157%0.56553%0.527SS*.Hα-helixtrans-61.5-46.4173.4-114.177.5000110.4G14 V15 Q20 I21 L22G14-L18 PolarHBondContact O-N 3.2Å; V15-L18 PolarHBondContact O-N 3.18Å; L18-Q20 VanDerWaalsContact C-N 3.27Å; L18-Q20 PolarHBondContact O-N 3.45Å; L18-I21 PolarHBondContact O-N 3.33Å; L18-I21 VanDerWaalsContact O-N 3.1Å; L18-L22 HydrophobicContact CB-CD1 4.23Å; L18-L22 HydrophobicContact CD2-CD1 4.47Å; L18-L22 HydrophobicContact CG-CD1 4.41Å; L18-L22 WeakPolarHBondContact O-CB 3.46Å; L18-L22 VanDerWaalsContact O-CD1 3.29Å; L18-L22 WeakPolarHBondContact O-CD1 3.27Å; L18-L22 PolarHBondContact O-N 3Å
19S50.4Low48.1Very low39 Ų3996.8 Ų96.827%0.27354%0.536SS..Hα-helixtrans-57.8-38.4178.3-54.50000112.7V15 L16 S23V15-S19 PolarHBondContact O-N 3.29Å; V15-S19 PolarHBondContact O-OG 3.18Å; L16-S19 PolarHBondContact O-N 2.97Å; S19-S23 WeakPolarHBondContact O-CB 3.29Å; S19-S23 PolarHBondContact O-N 3.37Å; S19-S23 PolarHBondContact O-OG 2.78Å
20Q47.5Very low47.9Very low141 Ų14198.1 Ų98.166%0.65955%0.546SS*.Hα-helixtrans-69-39.3175.8-73.5-178.2-35.100113L16 K17 L18 S24L16-Q20 WeakPolarHBondContact O-CG 3.38Å; L16-Q20 PolarHBondContact O-N 3.44Å; L16-Q20 VanDerWaalsContact O-N 3.11Å; K17-Q20 PolarHBondContact O-N 2.93Å; L18-Q20 VanDerWaalsContact C-N 3.27Å; L18-Q20 PolarHBondContact O-N 3.45Å; Q20-S24 WeakPolarHBondContact O-CB 3.32Å; Q20-S24 PolarHBondContact O-N 3Å
21I48Very low47.6Very low97 Ų97101.5 Ų101.550%0.49756%0.555SS.*Hα-helixtrans-66.9-43176.5-65.7162.1000109.9K17 L18 S24 I25K17-I21 WeakPolarHBondContact O-CD1 3.47Å; K17-I21 VanDerWaalsContact O-CG1 3.26Å; K17-I21 WeakPolarHBondContact O-CG1 3.34Å; K17-I21 PolarHBondContact O-N 2.03Å; K17-I21 VanDerWaalsContact O-N 3.1Å; L18-I21 PolarHBondContact O-N 3.33Å; L18-I21 VanDerWaalsContact O-N 3.1Å; I21-S24 PolarHBondContact O-N 3.42Å; I21-I25 HydrophobicContact CG2-CD1 3.71Å; I21-I25 WeakPolarHBondContact O-CD1 2.89Å; I21-I25 VanDerWaalsContact O-CG1 3.27Å; I21-I25 WeakPolarHBondContact O-CG1 3.08Å; I21-I25 PolarHBondContact O-N 3.49Å
22L47.6Very low47.2Very low55 Ų55103.4 Ų103.429%0.28857%0.566SS.*Hα-helixtrans-65-42.6176.8-83.2140.5000112L18 S24 I25 C26L18-L22 HydrophobicContact CB-CD1 4.23Å; L18-L22 HydrophobicContact CD2-CD1 4.47Å; L18-L22 HydrophobicContact CG-CD1 4.41Å; L18-L22 WeakPolarHBondContact O-CB 3.46Å; L18-L22 VanDerWaalsContact O-CD1 3.29Å; L18-L22 WeakPolarHBondContact O-CD1 3.27Å; L18-L22 PolarHBondContact O-N 3Å; L22-S24 VanDerWaalsContact C-N 3.27Å; L22-S24 PolarHBondContact O-N 2.98Å; L22-I25 PolarHBondContact O-N 3.41Å; L22-C26 WeakPolarHBondContact O-CB 3.27Å; L22-C26 PolarHBondContact O-N 3.02Å
23S41.9Very low46.9Very low59 Ų59106.4 Ų106.441%0.41358%0.583SS.*Hα-helixtrans-63.3-32.1172.4-74.20000112.9S19S19-S23 WeakPolarHBondContact O-CB 3.29Å; S19-S23 PolarHBondContact O-N 3.37Å; S19-S23 PolarHBondContact O-OG 2.78Å
24S42.8Very low46.2Very low78 Ų78108.5 Ų108.555%0.54560%0.597SS.*Hα-helixtrans-74.7-29.1176.3-169.80000112.9Q20 I21 L22Q20-S24 WeakPolarHBondContact O-CB 3.32Å; Q20-S24 PolarHBondContact O-N 3Å; I21-S24 PolarHBondContact O-N 3.42Å; L22-S24 VanDerWaalsContact C-N 3.27Å; L22-S24 PolarHBondContact O-N 2.98Å
25I43.5Very low45.6Very low115 Ų115109.1 Ų109.159%0.5960%0.603SS**Hα-helixtrans-81.5-34.3177.7-64.9163000110.4I21 L22 Q27I21-I25 HydrophobicContact CG2-CD1 3.71Å; I21-I25 WeakPolarHBondContact O-CD1 2.89Å; I21-I25 VanDerWaalsContact O-CG1 3.27Å; I21-I25 WeakPolarHBondContact O-CG1 3.08Å; I21-I25 PolarHBondContact O-N 3.49Å; L22-I25 PolarHBondContact O-N 3.41Å; I25-Q27 PolarHBondContact O-N 3.38Å
26C41.3Very low44.8Very low91 Ų91117 Ų11762%0.61563%0.634SS**THydrogen-bonded Turntrans-73.7-3.4176.7-98.60000115.2L22L22-C26 WeakPolarHBondContact O-CB 3.27Å; L22-C26 PolarHBondContact O-N 3.02Å
27Q38.3Very low44.4Very low172 Ų172120.9 Ų120.980%0.80465%0.649SS**THydrogen-bonded Turntrans-99.316.2177.8-79.8-169.9-34.800113.3I25I25-Q27 PolarHBondContact O-N 3.38Å
28S37.3Very low43.9Very low92 Ų92120 Ų12064%0.64365%0.647SS**SBendtrans-121.714.8-174.1-59.30000115.9
29D44.2Very low43.6Very low142 Ų142118.1 Ų118.176%0.75965%0.647SS**  trans-129.449.1178.6-95.2-85.4000111.8
30D44.3Very low43.5Very low153 Ų153122.8 Ų122.882%0.81867%0.665SS**SBendtrans-96.8122.3157.9-130.5-77.2000105.4
31D46.6Very low43.5Very low137 Ų137118.9 Ų118.973%0.73365%0.651SS**SBendtrans85.2121.2-176.1-66.1-68.3000117
32D45.1Very low43.5Very low148 Ų148114.6 Ų114.679%0.79163%0.629SS**  trans76.998.1167.2-66.7-65.3000117.6
33D48.2Very low43.6Very low151 Ų151116.3 Ų116.381%0.80764%0.638SS**  167.9138.6104.7-162.847000112.5G35D33-G35 PolarHBondContact O-N 2.95Å
34D43.1Very low43.8Very low170 Ų170118.3 Ų118.391%0.90964%0.643SS**  trans-62.383.4175.7-113.3-77.7000111.1
35G39.2Very low44Very low50 Ų50121.6 Ų121.652%0.51565%0.648SS.*  trans-164.472.5-171.600000117.1D33 E37D33-G35 PolarHBondContact O-N 2.95Å; G35-E37 PolarHBondContact O-N 3.25Å
36K36.1Very low44.1Very low209 Ų209122.5 Ų122.591%0.90965%0.654SS**  trans1768.9147.8-63.5178.6178.8170.40117
37E42.8Very low44.2Very low186 Ų186127 Ų12787%0.86967%0.665SS**  trans-106.1119.3163.4-82.3-162.7119.400109.9G35 A39G35-E37 PolarHBondContact O-N 3.25Å; E37-A39 PolarHBondContact O-N 3.25Å
38H42.9Very low44.3Very low128 Ų128125.8 Ų125.859%0.59366%0.657SS**  trans-67.293.2179.3-79.2-104.8000110E40 S55H38-E40 PolarHBondContact O-N 3.05Å; H38-E40 VanDerWaalsContact O-N 3.11Å; H38-S55 WeakPolarHBondContact CE1-CB 3.4Å; H38-S55 PolarHBondContact CE1-OG 3.27Å; H38-S55 VanDerWaalsContact CE1-OG 3.27Å
39A43.6Very low45Very low68 Ų68123 Ų12356%0.56263%0.634SS**  trans-74.597.517100000110.3E37 T41 F54E37-A39 PolarHBondContact O-N 3.25Å; A39-T41 PolarHBondContact O-N 2.89Å; A39-F54 VanDerWaalsContact O-CD2 3.26Å; A39-F54 WeakPolarHBondContact O-CD2 3.17Å; A39-F54 WeakPolarHBondContact O-CE2 3.49Å
40E49.2Very low45.2Very low136 Ų136117.5 Ų117.564%0.63661%0.605SS**  trans-71.8106.6167.4-64.9-175.6150.700109.3H38H38-E40 PolarHBondContact O-N 3.05Å; H38-E40 VanDerWaalsContact O-N 3.11Å
41T47.9Very low45.4Very low60 Ų60112.7 Ų112.737%0.36858%0.576SS.*EExtended strand (participates in β ladder)trans-93.6124.1174-44.80000110A39 L43A39-T41 PolarHBondContact O-N 2.89Å; T41-L43 HydrophobicContact CG2-CD2 4.31Å; T41-L43 HydrophobicContact CG2-CG 4.22Å
42C48.4Very low45.5Very low7 Ų7110.7 Ų110.75%0.04756%0.561CS.*EExtended strand (participates in β ladder)trans-89.5122.2168.6179.70000109.5C69C42-C69 HydrophobicContact CB-CB 4.45Å; C42-C69 WeakPolarHBondContact CB-SG 3.44Å; C42-C69 WeakPolarHBondContact SG-CB 3.48Å; C42-C69 CovalentContact SG-SG 2.03Å; C42-C69 PolarHBondContact SG-SG 2.98Å
43L50Low45.7Very low91 Ų91106.4 Ų106.448%0.47654%0.538SS..EExtended strand (participates in β ladder)trans-114.2124.2177-68.1162.3000109.7T41 V50T41-L43 HydrophobicContact CG2-CD2 4.31Å; T41-L43 HydrophobicContact CG2-CG 4.22Å; L43-V50 HydrophobicContact CB-CB 4.5Å; L43-V50 PolarHBondContact N-O 3.42Å; L43-V50 PolarHBondContact O-N 3.03Å
44I46Very low45.8Very low101 Ų101105 Ų10552%0.51853%0.525SS..EExtended strand (participates in β ladder)trans-91115172-57.8176.4000108.3F49 C69I44-F49 HydrophobicContact CD1-CE1 4.02Å; I44-F49 HydrophobicContact CG1-CD1 4.12Å; I44-F49 HydrophobicContact CG1-CE1 3.79Å; I44-C69 HydrophobicContact CD1-CB 4.35Å
45K45.9Very low46.1Very low147 Ų147101 Ų10164%0.63951%0.51SS*.EExtended strand (participates in β ladder)trans-132.1122.3174.2-168.5174.4-177.2175.60110.1H47 K48K45-H47 VanDerWaalsContact C-N 3.34Å; K45-H47 PolarHBondContact O-N 2.89Å; K45-K48 PolarHBondContact N-O 3.4Å; K45-K48 WeakPolarHBondContact O-CA 3.28Å; K45-K48 WeakPolarHBondContact O-CB 3.25Å; K45-K48 PolarHBondContact O-N 3.39Å
46N46.1Very low46.4Very low134 Ų134100.4 Ų100.472%0.71750%0.498SS*.THydrogen-bonded Turntrans54.142.1179.2-60.9-25.3000114.3K48N46-K48 PolarHBondContact O-N 3.19Å
47H43.5Very low46.7Very low186 Ų18699 Ų9986%0.86150%0.498SS*.THydrogen-bonded Turntrans5922.2-172.6-5193.7000114.2K45K45-H47 VanDerWaalsContact C-N 3.34Å; K45-H47 PolarHBondContact O-N 2.89Å
48K40.3Very low46.6Very low145 Ų14595.6 Ų95.663%0.6349%0.486SS*.EExtended strand (participates in β ladder)trans-116.9136.8173.8-61.2-178178.3-175.20109.3K45 N46K45-K48 PolarHBondContact N-O 3.4Å; K45-K48 WeakPolarHBondContact O-CA 3.28Å; K45-K48 WeakPolarHBondContact O-CB 3.25Å; K45-K48 PolarHBondContact O-N 3.39Å; N46-K48 PolarHBondContact O-N 3.19Å
49F50.7Low46.7Very low34 Ų3493.9 Ų93.915%0.14948%0.48CS..EExtended strand (participates in β ladder)trans-85.2131.7174.4-62.8-85.5000109.1I44 C66 C69I44-F49 HydrophobicContact CD1-CE1 4.02Å; I44-F49 HydrophobicContact CG1-CD1 4.12Å; I44-F49 HydrophobicContact CG1-CE1 3.79Å; F49-C66 HydrophobicContact CD1-CB 4.02Å; F49-C66 HydrophobicContact CD2-CB 3.55Å; F49-C66 HydrophobicContact CE1-CB 3.88Å; F49-C66 HydrophobicContact CE2-CB 3.41Å; F49-C66 VanDerWaalsContact CE2-CB 3.41Å; F49-C66 WeakPolarHBondContact CE2-O 3.29Å; F49-C66 HydrophobicContact CG-CB 3.86Å; F49-C66 HydrophobicContact CZ-CB 3.57Å; F49-C66 VanDerWaalsContact CZ-O 3.32Å; F49-C66 WeakPolarHBondContact CZ-O 3.39Å; F49-C69 HydrophobicContact CD1-CB 3.74Å; F49-C69 HydrophobicContact CE1-CB 3.35Å; F49-C69 HydrophobicContact CZ-CB 4.49Å
50V48.5Very low46.7Very low26 Ų2695.9 Ų95.916%0.15848%0.477CS..EExtended strand (participates in β ladder)trans-120115.2172.7-174.70000107.4L43 I59 Y61L43-V50 HydrophobicContact CB-CB 4.5Å; L43-V50 PolarHBondContact N-O 3.42Å; L43-V50 PolarHBondContact O-N 3.03Å; V50-I59 HydrophobicContact CG1-CG2 3.88Å; V50-Y61 HydrophobicContact CG1-CE1 4.36Å; V50-Y61 HydrophobicContact CG2-CD1 4.37Å; V50-Y61 HydrophobicContact CG2-CE1 4.05Å
51Y49.5Very low46.5Very low52 Ų5297.5 Ų97.520%0.20448%0.478CS..EExtended strand (participates in β ladder)trans-86123.8167.2-73.1-87.1000108.1F62 C76Y51-F62 HydrophobicContact CD2-CD2 4.33Å; Y51-C76 VanDerWaalsContact OH-CB 3.27Å; Y51-C76 WeakPolarHBondContact OH-CB 3.49Å
52K48.7Very low46.6Very low96 Ų9699.9 Ų99.942%0.41748%0.483SS..EExtended strand (participates in β ladder)trans-104.196169-167.1173.2175.7-170.50108.2F54K52-F54 HydrophobicContact CB-CE2 4.13Å; K52-F54 HydrophobicContact CB-CZ 4.45Å; K52-F54 HydrophobicContact CD-CE1 3.82Å; K52-F54 HydrophobicContact CD-CE2 4.07Å; K52-F54 HydrophobicContact CD-CZ 3.55Å; K52-F54 VanDerWaalsContact CE-CE1 3.46Å; K52-F54 HydrophobicContact CG-CD2 4.33Å; K52-F54 HydrophobicContact CG-CE1 4.28Å; K52-F54 HydrophobicContact CG-CE2 3.99Å; K52-F54 HydrophobicContact CG-CZ 3.98Å; K52-F54 VanDerWaalsContact O-CD2 3.25Å; K52-F54 WeakPolarHBondContact O-CD2 3.16Å; K52-F54 PolarHBondContact O-N 3.07Å
53D50.1Low46.5Very low57 Ų57109.3 Ų109.331%0.30553%0.527SS..  trans-72.4113.8168.1-177.8-44000107.2S55 S56D53-S55 VanDerWaalsContact C-N 3.29Å; D53-S55 WeakPolarHBondContact OD1-CA 3.02Å; D53-S55 WeakPolarHBondContact OD1-CB 3.21Å; D53-S55 PolarHBondContact OD1-N 3.11Å; D53-S56 PolarHBondContact OD1-N 2.96Å; D53-S56 PolarHBondContact OD1-OG 2.78Å; D53-S56 PolarHBondContact OD2-OG 3.11Å
54F49Very low46.6Very low122 Ų122108.8 Ų108.854%0.53553%0.527SS..SBendtrans-85-4.2177.6-69.7-92000112.8A39 K52A39-F54 VanDerWaalsContact O-CD2 3.26Å; A39-F54 WeakPolarHBondContact O-CD2 3.17Å; A39-F54 WeakPolarHBondContact O-CE2 3.49Å; K52-F54 HydrophobicContact CB-CE2 4.13Å; K52-F54 HydrophobicContact CB-CZ 4.45Å; K52-F54 HydrophobicContact CD-CE1 3.82Å; K52-F54 HydrophobicContact CD-CE2 4.07Å; K52-F54 HydrophobicContact CD-CZ 3.55Å; K52-F54 VanDerWaalsContact CE-CE1 3.46Å; K52-F54 HydrophobicContact CG-CD2 4.33Å; K52-F54 HydrophobicContact CG-CE1 4.28Å; K52-F54 HydrophobicContact CG-CE2 3.99Å; K52-F54 HydrophobicContact CG-CZ 3.98Å; K52-F54 VanDerWaalsContact O-CD2 3.25Å; K52-F54 WeakPolarHBondContact O-CD2 3.16Å; K52-F54 PolarHBondContact O-N 3.07Å
55S49.6Very low46.8Very low87 Ų87112.1 Ų112.161%0.60854%0.541SS*.SBendtrans-80.4-20.3172.7-154.80000112.1H38 D53H38-S55 WeakPolarHBondContact CE1-CB 3.4Å; H38-S55 PolarHBondContact CE1-OG 3.27Å; H38-S55 VanDerWaalsContact CE1-OG 3.27Å; D53-S55 VanDerWaalsContact C-N 3.29Å; D53-S55 WeakPolarHBondContact OD1-CA 3.02Å; D53-S55 WeakPolarHBondContact OD1-CB 3.21Å; D53-S55 PolarHBondContact OD1-N 3.11Å
56S45.1Very low47Very low36 Ų36105.7 Ų105.725%0.25251%0.514SS..SBendtrans-133.5132.7-178.850.40000110.9D53 N58D53-S56 PolarHBondContact OD1-N 2.96Å; D53-S56 PolarHBondContact OD1-OG 2.78Å; D53-S56 PolarHBondContact OD2-OG 3.11Å; S56-N58 PolarHBondContact O-N 2.84Å
57I43.3Very low47.3Very low180 Ų180104.4 Ų104.492%0.92351%0.507SS*.SBendtrans-63.54.5177.8-59.3167.9000112
58N40.2Very low47.5Very low114 Ų114101.1 Ų101.161%0.6149%0.487SS*.  trans-101.3111.2-177.7-75.6-58.2000111.3S56 K60S56-N58 PolarHBondContact O-N 2.84Å; N58-K60 PolarHBondContact O-N 3.1Å
59I45.4Very low47.9Very low92 Ų9294.5 Ų94.547%0.47246%0.459SS..  trans-65.5112.6164.1-59.1172.1000107.7V50 Y61V50-I59 HydrophobicContact CG1-CG2 3.88Å; I59-Y61 HydrophobicContact CB-CE2 4.44Å; I59-Y61 HydrophobicContact CG2-CD2 4.26Å; I59-Y61 HydrophobicContact CG2-CE1 4.27Å; I59-Y61 HydrophobicContact CG2-CE2 3.75Å
60K43.4Very low48.3Very low111 Ų11193.8 Ų93.848%0.48346%0.458SS..BIsolated β-bridgetrans-94.6115.4173.3-69.4-176.7-176.5169.90109.5N58 F62N58-K60 PolarHBondContact O-N 3.1Å; K60-F62 HydrophobicContact CB-CD2 4.07Å; K60-F62 HydrophobicContact CB-CE2 3.58Å; K60-F62 HydrophobicContact CB-CZ 4.32Å; K60-F62 HydrophobicContact CD-CE2 3.97Å; K60-F62 HydrophobicContact CD-CZ 4.05Å; K60-F62 HydrophobicContact CG-CE2 4.42Å; K60-F62 PolarHBondContact O-N 3.1Å
61Y45.4Very low48.3Very low170 Ų170100.1 Ų100.167%0.66749%0.486SS*.  trans-84107.2169.8-63.8-84.9000108.4V50 I59V50-Y61 HydrophobicContact CG1-CE1 4.36Å; V50-Y61 HydrophobicContact CG2-CD1 4.37Å; V50-Y61 HydrophobicContact CG2-CE1 4.05Å; I59-Y61 HydrophobicContact CB-CE2 4.44Å; I59-Y61 HydrophobicContact CG2-CD2 4.26Å; I59-Y61 HydrophobicContact CG2-CE1 4.27Å; I59-Y61 HydrophobicContact CG2-CE2 3.75Å
62F49.6Very low48.1Very low110 Ų110104 Ų10448%0.48251%0.505SS..  trans-92115.5168.7-72.7-84000108.6Y51 K60 T64Y51-F62 HydrophobicContact CD2-CD2 4.33Å; K60-F62 HydrophobicContact CB-CD2 4.07Å; K60-F62 HydrophobicContact CB-CE2 3.58Å; K60-F62 HydrophobicContact CB-CZ 4.32Å; K60-F62 HydrophobicContact CD-CE2 3.97Å; K60-F62 HydrophobicContact CD-CZ 4.05Å; K60-F62 HydrophobicContact CG-CE2 4.42Å; K60-F62 PolarHBondContact O-N 3.1Å; F62-T64 PolarHBondContact O-N 3.29Å; F62-T64 VanDerWaalsContact O-N 3.14Å
63Q46.6Very low48.1Very low205 Ų205101.3 Ų101.396%0.95850%0.499SS*.  trans-86.564.8171.9-162.5175.722.900108.4
64T51.7Low48.2Very low79 Ų7999.3 Ų99.349%0.48549%0.491SS..  trans-116.4132.8174.6-26.80000107.4F62 C66 Y78F62-T64 PolarHBondContact O-N 3.29Å; F62-T64 VanDerWaalsContact O-N 3.14Å; T64-C66 VanDerWaalsContact C-N 3.3Å; T64-C66 PolarHBondContact O-N 3.39Å; T64-Y78 HydrophobicContact CG2-CE1 4.19Å
65E50.9Low48.1Very low172 Ų17298.8 Ų98.880%0.80449%0.494SS*.  trans-67.687.4-176.7-65.3178.8128.700109.8L67E65-L67 PolarHBondContact O-N 3.03Å
66C50.1Low48.3Very low12 Ų1295.4 Ų95.48%0.08147%0.47CS..  trans-75.7117.4168-165.20000107.9F49 T64 Y68 C76F49-C66 HydrophobicContact CD1-CB 4.02Å; F49-C66 HydrophobicContact CD2-CB 3.55Å; F49-C66 HydrophobicContact CE1-CB 3.88Å; F49-C66 HydrophobicContact CE2-CB 3.41Å; F49-C66 VanDerWaalsContact CE2-CB 3.41Å; F49-C66 WeakPolarHBondContact CE2-O 3.29Å; F49-C66 HydrophobicContact CG-CB 3.86Å; F49-C66 HydrophobicContact CZ-CB 3.57Å; F49-C66 VanDerWaalsContact CZ-O 3.32Å; F49-C66 WeakPolarHBondContact CZ-O 3.39Å; T64-C66 VanDerWaalsContact C-N 3.3Å; T64-C66 PolarHBondContact O-N 3.39Å; C66-Y68 VanDerWaalsContact C-N 3.28Å; C66-Y68 PolarHBondContact SG-O 3.27Å; C66-C76 WeakPolarHBondContact CA-SG 3.43Å; C66-C76 HydrophobicContact CB-CB 4.3Å; C66-C76 WeakPolarHBondContact CB-SG 3.26Å; C66-C76 WeakPolarHBondContact SG-CA 3.41Å; C66-C76 WeakPolarHBondContact SG-CB 3.26Å; C66-C76 CovalentContact SG-SG 2.02Å; C66-C76 PolarHBondContact SG-SG 2.9Å
67L51.6Low48.7Very low107 Ų10797.1 Ų97.156%0.5648%0.476SS*.SBendtrans-67.5-36.6178.1-125.385.3000110.8E65 I77 E79E65-L67 PolarHBondContact O-N 3.03Å; L67-I77 WeakPolarHBondContact CB-O 3.27Å; L67-I77 PolarHBondContact N-O 2.96Å; L67-E79 HydrophobicContact CD1-CB 4.04Å; L67-E79 HydrophobicContact CD1-CG 3.6Å; L67-E79 HydrophobicContact CD2-CG 4.18Å
68Y47.6Very low49.4Very low116 Ų11694.8 Ų94.846%0.45546%0.456SS..EExtended strand (participates in β ladder)trans-156.3127.6-176-172.8-104.3000110V15 C66 V70 I77V15-Y68 HydrophobicContact CG1-CE1 4.43Å; C66-Y68 VanDerWaalsContact C-N 3.28Å; C66-Y68 PolarHBondContact SG-O 3.27Å; Y68-V70 HydrophobicContact CD1-CG2 3.94Å; Y68-V70 HydrophobicContact CE1-CB 4.46Å; Y68-V70 HydrophobicContact CE1-CG2 3.62Å; Y68-I77 HydrophobicContact CD1-CD1 3.98Å; Y68-I77 PolarHBondContact O-N 3.27Å
69C49.9Very low49.8Very low6 Ų6100.2 Ų100.24%0.04148%0.478CS..EExtended strand (participates in β ladder)trans-107.1127.2167.3-170.20000109.5C42 I44 F49 E71C42-C69 HydrophobicContact CB-CB 4.45Å; C42-C69 WeakPolarHBondContact CB-SG 3.44Å; C42-C69 WeakPolarHBondContact SG-CB 3.48Å; C42-C69 CovalentContact SG-SG 2.03Å; C42-C69 PolarHBondContact SG-SG 2.98Å; I44-C69 HydrophobicContact CD1-CB 4.35Å; F49-C69 HydrophobicContact CD1-CB 3.74Å; F49-C69 HydrophobicContact CE1-CB 3.35Å; F49-C69 HydrophobicContact CZ-CB 4.49Å; C69-E71 PolarHBondContact O-N 2.93Å
70V58.1Low50.1Low20 Ų20100.6 Ų100.612%0.12148%0.478CS..  trans-79.4109.3173.7-179.70000107.4Y68 H72 S73 G74 L75Y68-V70 HydrophobicContact CD1-CG2 3.94Å; Y68-V70 HydrophobicContact CE1-CB 4.46Å; Y68-V70 HydrophobicContact CE1-CG2 3.62Å; V70-H72 PolarHBondContact O-N 3.24Å; V70-S73 WeakPolarHBondContact CB-OG 3.47Å; V70-S73 WeakPolarHBondContact CG1-OG 3.43Å; V70-S73 PolarHBondContact O-N 3.38Å; V70-G74 PolarHBondContact O-N 3Å; V70-L75 PolarHBondContact N-O 2.84Å; V70-L75 VanDerWaalsContact N-O 3.14Å
71E48.7Very low50.4Low158 Ų158100.1 Ų100.174%0.73848%0.478SS*.THydrogen-bonded Turntrans-54.3-17.7-172.6-157.4170.5157.800114.2C69C69-E71 PolarHBondContact O-N 2.93Å
72H44.8Very low50.7Low133 Ų13396.2 Ų96.262%0.61647%0.467SS*.THydrogen-bonded Turntrans-111.7-9.1-178.3-73.6-82.8000116V70V70-H72 PolarHBondContact O-N 3.24Å
73S49.3Very low50.8Low41 Ų4195.4 Ų95.429%0.28747%0.466SS..THydrogen-bonded Turntrans-122.9-2.4-177.862.40000114.5V70 L75V70-S73 WeakPolarHBondContact CB-OG 3.47Å; V70-S73 WeakPolarHBondContact CG1-OG 3.43Å; V70-S73 PolarHBondContact O-N 3.38Å; S73-L75 PolarHBondContact O-N 3.2Å; S73-L75 WeakPolarHBondContact OG-CB 3.49Å
74G51.8Low51Low14 Ų1488.5 Ų88.514%0.14444%0.436CS..  trans63.63.9-17600000113.9V70 C76V70-G74 PolarHBondContact O-N 3Å; G74-C76 PolarHBondContact O-N 2.92Å
75L47.8Very low51Low111 Ų11189.1 Ų89.158%0.58143%0.432SS*.PPolyproline II helixtrans-79122.1-175.1-128.3117000109.4V70 S73V70-L75 PolarHBondContact N-O 2.84Å; V70-L75 VanDerWaalsContact N-O 3.14Å; S73-L75 PolarHBondContact O-N 3.2Å; S73-L75 WeakPolarHBondContact OG-CB 3.49Å
76C52.1Low51Low17 Ų1783.2 Ų83.212%0.11541%0.406CS..EExtended strand (participates in β ladder)trans-99.8126.5174.3177.70000109.9Y51 C66 G74 Y78Y51-C76 VanDerWaalsContact OH-CB 3.27Å; Y51-C76 WeakPolarHBondContact OH-CB 3.49Å; C66-C76 WeakPolarHBondContact CA-SG 3.43Å; C66-C76 HydrophobicContact CB-CB 4.3Å; C66-C76 WeakPolarHBondContact CB-SG 3.26Å; C66-C76 WeakPolarHBondContact SG-CA 3.41Å; C66-C76 WeakPolarHBondContact SG-CB 3.26Å; C66-C76 CovalentContact SG-SG 2.02Å; C66-C76 PolarHBondContact SG-SG 2.9Å; G74-C76 PolarHBondContact O-N 2.92Å; C76-Y78 HydrophobicContact CB-CE2 4.14Å; C76-Y78 VanDerWaalsContact SG-CZ 3.59Å
77I53.4Low51.1Low72 Ų7288.7 Ų88.737%0.36943%0.431SS..EExtended strand (participates in β ladder)trans-92.3123.3173-54.8179.4000107.8L67 Y68L67-I77 WeakPolarHBondContact CB-O 3.27Å; L67-I77 PolarHBondContact N-O 2.96Å; Y68-I77 HydrophobicContact CD1-CD1 3.98Å; Y68-I77 PolarHBondContact O-N 3.27Å
78Y58.3Low51Low131 Ų13187.2 Ų87.251%0.51442%0.42SS..PPolyproline II helixtrans-99.4153.7174.3-54.5-85.9000109.6T64 C76T64-Y78 HydrophobicContact CG2-CE1 4.19Å; C76-Y78 HydrophobicContact CB-CE2 4.14Å; C76-Y78 VanDerWaalsContact SG-CZ 3.59Å
79E50.3Low51.3Low227 Ų22784.5 Ų84.5100%1.06142%0.417SS*.  trans-670168.5-112.2-177.9140.400112.7L67L67-E79 HydrophobicContact CD1-CB 4.04Å; L67-E79 HydrophobicContact CD1-CG 3.6Å; L67-E79 HydrophobicContact CD2-CG 4.18Å

Retrieved 79 of 79 residues in 219.7 ms (Link to these results)