A0A077YYG7_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077YYG7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 99 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
1M32.6Very low43.3Very low252 Ų252103.1 Ų103.1100%1.24159%0.587SS**  0131.70-76.3175169.400107.4
2G40.8Very low43.9Very low69 Ų6999.9 Ų99.971%0.71158%0.576SS**  trans12636.2-173.600000112.7L4G2-L4 PolarHBondContact O-N 3.47Å
3T39.2Very low44.6Very low127 Ų12795.1 Ų95.178%0.77955%0.549SS*.  trans-58.2120.2174.4-19.20000108.3
4L41.1Very low45.1Very low118 Ų118104.2 Ų104.262%0.61857%0.57SS**  trans59.583.6172.8-62.9103.4000115.1G2 K6G2-L4 PolarHBondContact O-N 3.47Å; L4-K6 HydrophobicContact CB-CG 4.2Å; L4-K6 HydrophobicContact CD2-CG 4.26Å; L4-K6 PolarHBondContact O-N 3.09Å
5C44.2Very low45.9Very low48 Ų48102.5 Ų102.532%0.32458%0.575SS.*  -5895.4128.9-61.70000104.2A7 C41C5-A7 PolarHBondContact O-N 2.88Å; C5-C41 HydrophobicContact CB-CB 4.24Å; C5-C41 WeakPolarHBondContact CB-SG 3.32Å; C5-C41 WeakPolarHBondContact SG-CA 3.31Å; C5-C41 WeakPolarHBondContact SG-CB 3.42Å; C5-C41 CovalentContact SG-SG 2.02Å; C5-C41 PolarHBondContact SG-SG 3.47Å
6K45.7Very low46.7Very low86 Ų86100.4 Ų100.437%0.37456%0.558SS.*  trans-51.5110.1179.3-80.9177.3-178.2176.40104.6L4 L8 D74 E75L4-K6 HydrophobicContact CB-CG 4.2Å; L4-K6 HydrophobicContact CD2-CG 4.26Å; L4-K6 PolarHBondContact O-N 3.09Å; K6-L8 PolarHBondContact O-N 3.18Å; K6-D74 PolarHBondContact NZ-O 3.31Å; K6-E75 VanDerWaalsContact CB-O 3.22Å; K6-E75 WeakPolarHBondContact CB-O 3.42Å; K6-E75 WeakPolarHBondContact CD-O 3.37Å
7A44.9Very low47.5Very low81 Ų8196.1 Ų96.167%0.66954%0.535SS*.  trans-53.2123176.200000104.5C5 G9C5-A7 PolarHBondContact O-N 2.88Å; A7-G9 WeakPolarHBondContact O-CA 3.46Å; A7-G9 PolarHBondContact O-N 2.71Å
8L49.3Very low48.6Very low34 Ų3499.2 Ų99.218%0.17856%0.557CS.*  trans-50.6100.5176.4-110.9169.2000107.1K6 R10 T30 F34 L72 N76K6-L8 PolarHBondContact O-N 3.18Å; L8-R10 PolarHBondContact O-N 3.21Å; L8-T30 HydrophobicContact CD1-CG2 3.86Å; L8-T30 WeakPolarHBondContact CD1-O 3.3Å; L8-T30 HydrophobicContact CD2-CG2 3.78Å; L8-T30 HydrophobicContact CG-CG2 4.43Å; L8-F34 HydrophobicContact CB-CD2 3.89Å; L8-F34 HydrophobicContact CD1-CB 3.22Å; L8-F34 HydrophobicContact CD1-CD2 3.66Å; L8-F34 HydrophobicContact CD1-CG 3.81Å; L8-F34 HydrophobicContact CG-CB 4.48Å; L8-F34 HydrophobicContact CG-CD2 4.17Å; L8-L72 HydrophobicContact CD2-CD2 4.22Å; L8-N76 WeakPolarHBondContact CD2-ND2 3.34Å; L8-N76 WeakPolarHBondContact CD2-OD1 2.95Å; L8-N76 WeakPolarHBondContact CG-OD1 3.32Å
9G44.4Very low49.8Very low49 Ų4997.5 Ų97.551%0.50555%0.547SS..  trans-85.671.1-15200000107.2A7 L11A7-G9 WeakPolarHBondContact O-CA 3.46Å; A7-G9 PolarHBondContact O-N 2.71Å; G9-L11 PolarHBondContact O-N 3.32Å
10R44.3Very low50.8Low241 Ų24197.9 Ų97.991%0.90956%0.556SS**  trans46.645.1173.1-59.1176.6172.3-169.9-2.7112.1L8 S12L8-R10 PolarHBondContact O-N 3.21Å; R10-S12 VanDerWaalsContact C-N 3.25Å; R10-S12 PolarHBondContact O-N 3.39Å
11L50.2Low51.9Low29 Ų2999.6 Ų99.615%0.15256%0.559CS.*  trans-64.499.9167.1-113.8107.5000106.6G9 V13 F16 L72 E75G9-L11 PolarHBondContact O-N 3.32Å; L11-V13 PolarHBondContact O-N 3.41Å; L11-F16 HydrophobicContact CD2-CD2 3.74Å; L11-F16 HydrophobicContact CD2-CE1 4.41Å; L11-F16 HydrophobicContact CD2-CE2 3.03Å; L11-F16 HydrophobicContact CD2-CZ 3.41Å; L11-F16 VanDerWaalsContact CD2-CZ 3.41Å; L11-F16 HydrophobicContact CG-CE2 3.79Å; L11-F16 HydrophobicContact CG-CZ 4.31Å; L11-L72 HydrophobicContact CB-CD2 4.49Å; L11-L72 HydrophobicContact CD1-CD2 3.88Å; L11-L72 HydrophobicContact CD2-CD1 4.38Å; L11-L72 HydrophobicContact CD2-CD2 3.61Å; L11-L72 HydrophobicContact CD2-CG 3.85Å; L11-L72 HydrophobicContact CG-CD2 4.21Å; L11-E75 WeakPolarHBondContact CD1-OE2 3.46Å
12S50.6Low53.7Low65 Ų6592.4 Ų92.446%0.45552%0.521SS..  trans-63.9111.1172.1178.30000105.9R10 R14 A15R10-S12 VanDerWaalsContact C-N 3.25Å; R10-S12 PolarHBondContact O-N 3.39Å; S12-R14 PolarHBondContact O-N 3.44Å; S12-A15 VanDerWaalsContact O-CB 3.25Å; S12-A15 WeakPolarHBondContact O-CB 3.25Å; S12-A15 PolarHBondContact O-N 3.5Å
13V53Low55.2Low37 Ų3790.2 Ų90.222%0.22450%0.497CS..G310 helixtrans-47.9-34.5172.51710000110.6L11 A15 F16 A23 L26 A27L11-V13 PolarHBondContact O-N 3.41Å; V13-A15 VanDerWaalsContact C-N 3.29Å; V13-A15 PolarHBondContact O-N 2.93Å; V13-F16 PolarHBondContact O-N 2.96Å; V13-A23 HydrophobicContact CG1-CB 3.7Å; V13-A23 WeakPolarHBondContact CG1-O 3.5Å; V13-L26 HydrophobicContact CB-CD2 4.28Å; V13-L26 HydrophobicContact CG1-CB 4.24Å; V13-L26 HydrophobicContact CG1-CD2 4.01Å; V13-L26 HydrophobicContact CG1-CG 4.32Å; V13-L26 HydrophobicContact CG2-CG 4.42Å; V13-L26 WeakPolarHBondContact O-CD2 3.49Å; V13-A27 HydrophobicContact CG2-CB 4.03Å
14R50.8Low56.9Low223 Ų22385.7 Ų85.784%0.84248%0.475SS*.G310 helixtrans-68.3-20.1176.4-65.5-176.4176.9173-1.1114.8S12 F16S12-R14 PolarHBondContact O-N 3.44Å; R14-F16 PolarHBondContact O-N 2.99Å
15A56.7Low58.6Low78 Ų7883 Ų8365%0.64546%0.459SS*.G310 helixtrans-71.7-19.7176.900000112.5S12 V13S12-A15 VanDerWaalsContact O-CB 3.25Å; S12-A15 WeakPolarHBondContact O-CB 3.25Å; S12-A15 PolarHBondContact O-N 3.5Å; V13-A15 VanDerWaalsContact C-N 3.29Å; V13-A15 PolarHBondContact O-N 2.93Å
16F58.8Low60.2Low69 Ų6980.8 Ų80.830%0.30344%0.444SS..THydrogen-bonded Turntrans-105.5-25.2-174.2-74.7-91.1000113.4L11 V13 R14 L26 T68 K71L11-F16 HydrophobicContact CD2-CD2 3.74Å; L11-F16 HydrophobicContact CD2-CE1 4.41Å; L11-F16 HydrophobicContact CD2-CE2 3.03Å; L11-F16 HydrophobicContact CD2-CZ 3.41Å; L11-F16 VanDerWaalsContact CD2-CZ 3.41Å; L11-F16 HydrophobicContact CG-CE2 3.79Å; L11-F16 HydrophobicContact CG-CZ 4.31Å; V13-F16 PolarHBondContact O-N 2.96Å; R14-F16 PolarHBondContact O-N 2.99Å; F16-L26 HydrophobicContact CB-CD2 3.43Å; F16-L26 VanDerWaalsContact CB-CD2 3.43Å; F16-L26 HydrophobicContact CD2-CD2 4.24Å; F16-L26 HydrophobicContact CG-CD2 4.02Å; F16-T68 HydrophobicContact CD1-CG2 3.59Å; F16-T68 HydrophobicContact CE1-CG2 4.07Å; F16-T68 HydrophobicContact CG-CG2 4.22Å; F16-K71 HydrophobicContact CE1-CD 4.21Å; F16-K71 HydrophobicContact CZ-CD 4.23Å
17T61.4Low61.6Low27 Ų2778.6 Ų78.617%0.16644%0.442CS..  trans-157.8143-177.9-1770000113.2D19 K22 A23 L26T17-D19 WeakPolarHBondContact OG1-CB 3.29Å; T17-D19 PolarHBondContact OG1-N 3.04Å; T17-D19 PolarHBondContact OG1-O 3.05Å; T17-K22 HydrophobicContact CG2-CB 3.84Å; T17-A23 HydrophobicContact CG2-CB 3.94Å; T17-L26 HydrophobicContact CG2-CD2 4.46Å
18T67.3Low63.3Low152 Ų15279.8 Ų79.893%0.93344%0.437SS*.SBendtrans-93.3-13.9166.753.10000112.5
19D71.6Confident64.8Low67 Ų6778.1 Ų78.136%0.35843%0.428SS..  trans-73.1122.1174.8-179.8-37.3000109.5T17 E21 K22 A23T17-D19 WeakPolarHBondContact OG1-CB 3.29Å; T17-D19 PolarHBondContact OG1-N 3.04Å; T17-D19 PolarHBondContact OG1-O 3.05Å; D19-E21 PolarHBondContact O-N 2.86Å; D19-E21 WeakPolarHBondContact OD1-CB 3.23Å; D19-E21 PolarHBondContact OD1-N 3.32Å; D19-K22 HydrophobicContact CB-CB 4.08Å; D19-K22 HydrophobicContact CB-CD 4.09Å; D19-K22 HydrophobicContact CB-CG 4.1Å; D19-K22 PolarHBondContact OD1-N 3.5Å; D19-A23 VanDerWaalsContact O-CB 3.29Å; D19-A23 WeakPolarHBondContact O-CB 3.29Å; D19-A23 PolarHBondContact O-N 3.48Å
20S70Confident66.1Low106 Ų10676.8 Ų76.874%0.74141%0.41SS*.Hα-helixtrans-67.2-31.8-175.452.70000113.8A23 G24S20-A23 PolarHBondContact O-N 3.41Å; S20-G24 PolarHBondContact O-N 3.38Å
21E72.6Confident67.6Low133 Ų13373.2 Ų73.262%0.62140%0.397SS*.Hα-helixtrans-72.9-47.2178.5-172.5-177.5159.300109.7D19 A23 G24 H25D19-E21 PolarHBondContact O-N 2.86Å; D19-E21 WeakPolarHBondContact OD1-CB 3.23Å; D19-E21 PolarHBondContact OD1-N 3.32Å; E21-A23 PolarHBondContact O-N 3.1Å; E21-G24 WeakPolarHBondContact O-CA 3.19Å; E21-G24 PolarHBondContact O-N 3.02Å; E21-H25 PolarHBondContact O-N 3.47Å; E21-H25 IonicContact OE1-CE1 2.9Å
22K71.1Confident69Low102 Ų10273.6 Ų73.644%0.44340%0.396SS..Hα-helixtrans-61-35.7172.8-64.6-174.4-177.9-179.10111.8T17 D19 G24 H25 L26 L64T17-K22 HydrophobicContact CG2-CB 3.84Å; D19-K22 HydrophobicContact CB-CB 4.08Å; D19-K22 HydrophobicContact CB-CD 4.09Å; D19-K22 HydrophobicContact CB-CG 4.1Å; D19-K22 PolarHBondContact OD1-N 3.5Å; K22-G24 VanDerWaalsContact C-N 3.3Å; K22-G24 PolarHBondContact O-N 3.03Å; K22-H25 PolarHBondContact O-N 3.32Å; K22-L26 WeakPolarHBondContact O-CB 3.46Å; K22-L26 PolarHBondContact O-N 2.85Å; K22-L64 WeakPolarHBondContact O-CD2 3.44Å
23A71.1Confident70Confident23 Ų2370.5 Ų70.519%0.1938%0.375CS..Hα-helixtrans-63.3-39.1175.200000111.4V13 T17 D19 S20 E21 L26 A27V13-A23 HydrophobicContact CG1-CB 3.7Å; V13-A23 WeakPolarHBondContact CG1-O 3.5Å; T17-A23 HydrophobicContact CG2-CB 3.94Å; D19-A23 VanDerWaalsContact O-CB 3.29Å; D19-A23 WeakPolarHBondContact O-CB 3.29Å; D19-A23 PolarHBondContact O-N 3.48Å; S20-A23 PolarHBondContact O-N 3.41Å; E21-A23 PolarHBondContact O-N 3.1Å; A23-L26 PolarHBondContact O-N 3.44Å; A23-A27 WeakPolarHBondContact O-CB 3.44Å; A23-A27 PolarHBondContact O-N 3.26Å
24G75.5Confident70.9Confident31 Ų3172.5 Ų72.532%0.3238%0.381SS..Hα-helixtrans-60-56172.300000111.8S20 E21 K22 L26 A27 D28S20-G24 PolarHBondContact O-N 3.38Å; E21-G24 WeakPolarHBondContact O-CA 3.19Å; E21-G24 PolarHBondContact O-N 3.02Å; K22-G24 VanDerWaalsContact C-N 3.3Å; K22-G24 PolarHBondContact O-N 3.03Å; G24-L26 PolarHBondContact O-N 3.29Å; G24-A27 WeakPolarHBondContact O-CB 3.2Å; G24-A27 PolarHBondContact O-N 2.82Å; G24-A27 VanDerWaalsContact O-N 3.09Å; G24-D28 PolarHBondContact O-N 3.11Å
25H77.7Confident72Confident61 Ų6165.8 Ų65.828%0.28236%0.359SS..Hα-helixtrans-57.3-38.9177.6-64.4154.1000112.3E21 K22 D28 F29 L64E21-H25 PolarHBondContact O-N 3.47Å; E21-H25 IonicContact OE1-CE1 2.9Å; K22-H25 PolarHBondContact O-N 3.32Å; H25-D28 PolarHBondContact O-N 3.17Å; H25-F29 VanDerWaalsContact O-CB 3.3Å; H25-F29 WeakPolarHBondContact O-CB 3.27Å; H25-F29 PolarHBondContact O-N 3.07Å; H25-L64 HydrophobicContact CB-CD2 3.8Å; H25-L64 HydrophobicContact CB-CG 3.95Å
26L76.8Confident72.7Confident2 Ų263.7 Ų63.71%0.0134%0.335CS..Hα-helixtrans-67.7-41.4178.5-178.463.5000111.6V13 F16 T17 K22 A23 G24 T30 L64 T68 L72V13-L26 HydrophobicContact CB-CD2 4.28Å; V13-L26 HydrophobicContact CG1-CB 4.24Å; V13-L26 HydrophobicContact CG1-CD2 4.01Å; V13-L26 HydrophobicContact CG1-CG 4.32Å; V13-L26 HydrophobicContact CG2-CG 4.42Å; V13-L26 WeakPolarHBondContact O-CD2 3.49Å; F16-L26 HydrophobicContact CB-CD2 3.43Å; F16-L26 VanDerWaalsContact CB-CD2 3.43Å; F16-L26 HydrophobicContact CD2-CD2 4.24Å; F16-L26 HydrophobicContact CG-CD2 4.02Å; T17-L26 HydrophobicContact CG2-CD2 4.46Å; K22-L26 WeakPolarHBondContact O-CB 3.46Å; K22-L26 PolarHBondContact O-N 2.85Å; A23-L26 PolarHBondContact O-N 3.44Å; G24-L26 PolarHBondContact O-N 3.29Å; L26-T30 WeakPolarHBondContact O-CB 3.28Å; L26-T30 PolarHBondContact O-N 2.85Å; L26-T30 PolarHBondContact O-OG1 2.95Å; L26-L64 HydrophobicContact CB-CD1 4.41Å; L26-L64 HydrophobicContact CB-CD2 3.86Å; L26-L64 HydrophobicContact CD1-CD1 4.18Å; L26-T68 HydrophobicContact CD1-CG2 3.89Å; L26-L72 HydrophobicContact CD1-CD1 3.45Å; L26-L72 VanDerWaalsContact CD1-CD1 3.45Å
27A75.2Confident73Confident40 Ų4060.9 Ų60.933%0.33132%0.324SS..Hα-helixtrans-63.7-43.6175.700000111.2V13 A23 G24 T30 R31V13-A27 HydrophobicContact CG2-CB 4.03Å; A23-A27 WeakPolarHBondContact O-CB 3.44Å; A23-A27 PolarHBondContact O-N 3.26Å; G24-A27 WeakPolarHBondContact O-CB 3.2Å; G24-A27 PolarHBondContact O-N 2.82Å; G24-A27 VanDerWaalsContact O-N 3.09Å; A27-T30 PolarHBondContact O-N 3.32Å; A27-R31 VanDerWaalsContact O-CB 3.27Å; A27-R31 WeakPolarHBondContact O-CB 3.48Å; A27-R31 PolarHBondContact O-N 3.25Å
28D81.2Confident73.3Confident106 Ų10663.9 Ų63.957%0.56734%0.337SS*.Hα-helixtrans-64.8-46178.4-72.3-21.1000111.4G24 H25 R31 Y32G24-D28 PolarHBondContact O-N 3.11Å; H25-D28 PolarHBondContact O-N 3.17Å; D28-R31 PolarHBondContact O-N 3.06Å; D28-Y32 WeakPolarHBondContact O-CB 3.34Å; D28-Y32 PolarHBondContact O-N 2.99Å
29F79.5Confident73.1Confident0 Ų061.7 Ų61.70%032%0.32CS..Hα-helixtrans-63-45.6176.1-177.7-120.4000111.9H25 R31 Y32 V33 V57 C61 L64 C69 L72 L73H25-F29 VanDerWaalsContact O-CB 3.3Å; H25-F29 WeakPolarHBondContact O-CB 3.27Å; H25-F29 PolarHBondContact O-N 3.07Å; F29-R31 VanDerWaalsContact C-N 3.29Å; F29-R31 PolarHBondContact O-N 3.29Å; F29-Y32 HydrophobicContact CD2-CD1 4.46Å; F29-Y32 PolarHBondContact O-N 3.4Å; F29-V33 HydrophobicContact CD1-CG2 4.46Å; F29-V33 HydrophobicContact CD2-CG2 4.12Å; F29-V33 HydrophobicContact CE1-CG2 4.02Å; F29-V33 HydrophobicContact CE2-CG2 3.69Å; F29-V33 HydrophobicContact CG-CG2 4.49Å; F29-V33 HydrophobicContact CZ-CG2 3.63Å; F29-V33 WeakPolarHBondContact O-CB 3.29Å; F29-V33 WeakPolarHBondContact O-CG2 3.44Å; F29-V33 PolarHBondContact O-N 3.14Å; F29-V57 HydrophobicContact CE2-CG1 3.99Å; F29-V57 HydrophobicContact CZ-CG1 4.36Å; F29-C61 WeakPolarHBondContact CE2-SG 3.4Å; F29-C61 WeakPolarHBondContact CZ-SG 3.44Å; F29-L64 HydrophobicContact CB-CD1 3.8Å; F29-L64 HydrophobicContact CD1-CD1 4.09Å; F29-L64 HydrophobicContact CG-CD1 4.16Å; F29-C69 HydrophobicContact CE1-CB 4.12Å; F29-C69 VanDerWaalsContact CE1-SG 3.6Å; F29-C69 HydrophobicContact CZ-CB 4.38Å; F29-L72 HydrophobicContact CD1-CB 4.27Å; F29-L72 HydrophobicContact CD1-CD1 3.54Å; F29-L72 HydrophobicContact CE1-CB 3.68Å; F29-L72 HydrophobicContact CE1-CD1 3.84Å; F29-L72 HydrophobicContact CE1-CG 4.41Å; F29-L73 HydrophobicContact CZ-CD1 4.49Å; F29-L73 HydrophobicContact CZ-CD2 3.88Å; F29-L73 HydrophobicContact CZ-CG 3.97Å
30T72.7Confident72.4Confident20 Ų2059.5 Ų59.512%0.12331%0.309CS..Hα-helixtrans-58.4-44.2175.8-59.80000110.7L8 L26 A27 V33 F34L8-T30 HydrophobicContact CD1-CG2 3.86Å; L8-T30 WeakPolarHBondContact CD1-O 3.3Å; L8-T30 HydrophobicContact CD2-CG2 3.78Å; L8-T30 HydrophobicContact CG-CG2 4.43Å; L26-T30 WeakPolarHBondContact O-CB 3.28Å; L26-T30 PolarHBondContact O-N 2.85Å; L26-T30 PolarHBondContact O-OG1 2.95Å; A27-T30 PolarHBondContact O-N 3.32Å; T30-V33 PolarHBondContact O-N 2.86Å; T30-F34 PolarHBondContact O-N 2.92Å
31R75.3Confident71.6Confident167 Ų16757.4 Ų57.463%0.6329%0.294SS*.Hα-helixtrans-64.7-43.6177.8-177.9179-179.4118.70.8111.8A27 D28 F29 F34 H35A27-R31 VanDerWaalsContact O-CB 3.27Å; A27-R31 WeakPolarHBondContact O-CB 3.48Å; A27-R31 PolarHBondContact O-N 3.25Å; D28-R31 PolarHBondContact O-N 3.06Å; F29-R31 VanDerWaalsContact C-N 3.29Å; F29-R31 PolarHBondContact O-N 3.29Å; R31-F34 VanDerWaalsContact O-CB 3.3Å; R31-F34 WeakPolarHBondContact O-CB 3.32Å; R31-F34 PolarHBondContact O-N 3.09Å; R31-H35 PolarHBondContact O-CD2 2.03Å; R31-H35 PolarHBondContact O-N 3.25Å; R31-H35 VanDerWaalsContact O-N 3.1Å
32Y79.1Confident70.4Confident36 Ų3654.8 Ų54.814%0.14130%0.303CS..Hα-helixtrans-59.7-48.9176.8168.1-92.7000111.1D28 F29 F34 H35 K36 W50 S53 E56 V57D28-Y32 WeakPolarHBondContact O-CB 3.34Å; D28-Y32 PolarHBondContact O-N 2.99Å; F29-Y32 HydrophobicContact CD2-CD1 4.46Å; F29-Y32 PolarHBondContact O-N 3.4Å; Y32-F34 VanDerWaalsContact C-N 3.28Å; Y32-F34 PolarHBondContact O-N 2.92Å; Y32-H35 PolarHBondContact O-N 3.49Å; Y32-K36 HydrophobicContact CD1-CG 4.46Å; Y32-K36 HydrophobicContact CD2-CG 4.35Å; Y32-K36 HydrophobicContact CE1-CG 4.01Å; Y32-K36 HydrophobicContact CE2-CD 4.23Å; Y32-K36 HydrophobicContact CE2-CG 3.9Å; Y32-K36 VanDerWaalsContact CZ-CE 3.48Å; Y32-K36 WeakPolarHBondContact O-CG 2.93Å; Y32-K36 PolarHBondContact O-N 3.26Å; Y32-K36 WeakPolarHBondContact OH-CE 3.21Å; Y32-W50 HydrophobicContact CE1-CZ3 4.33Å; Y32-S53 WeakPolarHBondContact OH-CB 3.36Å; Y32-S53 PolarHBondContact OH-O 3.28Å; Y32-E56 HydrophobicContact CE2-CB 3.97Å; Y32-E56 VanDerWaalsContact OH-CB 3.28Å; Y32-E56 WeakPolarHBondContact OH-CB 3.27Å; Y32-V57 HydrophobicContact CE1-CB 4.26Å; Y32-V57 HydrophobicContact CE1-CG2 3.88Å; Y32-V57 PolarHBondContact OH-N 2.68Å
33V72.4Confident69.4Low0 Ų055.7 Ų55.70%032%0.317CS..Hα-helixtrans-59.2-41.3177.6166.10000111F29 T30 H35 S37 W50 L73 N76F29-V33 HydrophobicContact CD1-CG2 4.46Å; F29-V33 HydrophobicContact CD2-CG2 4.12Å; F29-V33 HydrophobicContact CE1-CG2 4.02Å; F29-V33 HydrophobicContact CE2-CG2 3.69Å; F29-V33 HydrophobicContact CG-CG2 4.49Å; F29-V33 HydrophobicContact CZ-CG2 3.63Å; F29-V33 WeakPolarHBondContact O-CB 3.29Å; F29-V33 WeakPolarHBondContact O-CG2 3.44Å; F29-V33 PolarHBondContact O-N 3.14Å; T30-V33 PolarHBondContact O-N 2.86Å; V33-H35 PolarHBondContact O-N 2.77Å; V33-S37 WeakPolarHBondContact O-CB 3.39Å; V33-S37 PolarHBondContact O-N 2.78Å; V33-S37 PolarHBondContact O-OG 3.41Å; V33-S37 VanDerWaalsContact O-OG 3.11Å; V33-W50 HydrophobicContact CB-CH2 4.16Å; V33-W50 HydrophobicContact CG1-CH2 3.97Å; V33-W50 HydrophobicContact CG2-CH2 4.1Å; V33-W50 HydrophobicContact CG2-CZ3 4.41Å; V33-L73 HydrophobicContact CG2-CD2 3.99Å; V33-N76 HydrophobicContact CG1-CB 3.17Å
34F71.4Confident68.1Low79 Ų7957.2 Ų57.235%0.34634%0.335SS..Hα-helixtrans-54.7-55174.2-169.3-120.6000112.4L8 T30 R31 Y32 K36 S37 M38L8-F34 HydrophobicContact CB-CD2 3.89Å; L8-F34 HydrophobicContact CD1-CB 3.22Å; L8-F34 HydrophobicContact CD1-CD2 3.66Å; L8-F34 HydrophobicContact CD1-CG 3.81Å; L8-F34 HydrophobicContact CG-CB 4.48Å; L8-F34 HydrophobicContact CG-CD2 4.17Å; T30-F34 PolarHBondContact O-N 2.92Å; R31-F34 VanDerWaalsContact O-CB 3.3Å; R31-F34 WeakPolarHBondContact O-CB 3.32Å; R31-F34 PolarHBondContact O-N 3.09Å; Y32-F34 VanDerWaalsContact C-N 3.28Å; Y32-F34 PolarHBondContact O-N 2.92Å; F34-K36 PolarHBondContact O-N 3.15Å; F34-S37 PolarHBondContact O-N 3.44Å; F34-M38 HydrophobicContact CD1-CG 4.16Å; F34-M38 HydrophobicContact CD2-CG 4.22Å; F34-M38 HydrophobicContact CE1-CG 3.83Å; F34-M38 HydrophobicContact CE2-CG 3.93Å; F34-M38 HydrophobicContact CE2-SD 4.16Å; F34-M38 HydrophobicContact CG-CG 4.37Å; F34-M38 HydrophobicContact CZ-CG 3.72Å; F34-M38 HydrophobicContact CZ-SD 4.02Å; F34-M38 WeakPolarHBondContact O-CB 2.94Å; F34-M38 VanDerWaalsContact O-CG 3.3Å; F34-M38 WeakPolarHBondContact O-CG 3.47Å; F34-M38 PolarHBondContact O-N 2.98Å
35H74.4Confident66.8Low83 Ų8357.5 Ų57.538%0.38433%0.332SS..Hα-helixtrans-65.4-42.3-173.2-73.1-58.9000110.4R31 Y32 V33 S37 M38 D39R31-H35 PolarHBondContact O-CD2 2.03Å; R31-H35 PolarHBondContact O-N 3.25Å; R31-H35 VanDerWaalsContact O-N 3.1Å; Y32-H35 PolarHBondContact O-N 3.49Å; V33-H35 PolarHBondContact O-N 2.77Å; H35-S37 PolarHBondContact O-N 3.47Å; H35-M38 CarbonylContact O-C 3.56Å; H35-M38 PolarHBondContact O-N 2.97Å; H35-M38 VanDerWaalsContact O-N 3.09Å; H35-D39 VanDerWaalsContact O-CG 3.27Å; H35-D39 PolarHBondContact O-N 2.96Å
36K72.4Confident65.5Low34 Ų3459.2 Ų59.215%0.14835%0.347CS..Hα-helixtrans-62.8-40.6174.9-66.2-69.9-177.2167.70112.1Y32 F34 M38 D39 C40 V49 W50 S53 E56Y32-K36 HydrophobicContact CD1-CG 4.46Å; Y32-K36 HydrophobicContact CD2-CG 4.35Å; Y32-K36 HydrophobicContact CE1-CG 4.01Å; Y32-K36 HydrophobicContact CE2-CD 4.23Å; Y32-K36 HydrophobicContact CE2-CG 3.9Å; Y32-K36 VanDerWaalsContact CZ-CE 3.48Å; Y32-K36 WeakPolarHBondContact O-CG 2.93Å; Y32-K36 PolarHBondContact O-N 3.26Å; Y32-K36 WeakPolarHBondContact OH-CE 3.21Å; F34-K36 PolarHBondContact O-N 3.15Å; K36-M38 VanDerWaalsContact C-N 3.31Å; K36-M38 PolarHBondContact O-N 3.04Å; K36-D39 PolarHBondContact O-N 3.48Å; K36-C40 PolarHBondContact O-N 3.31Å; K36-C40 PolarHBondContact O-SG 3.35Å; K36-V49 HydrophobicContact CD-CG1 3.96Å; K36-W50 HydrophobicContact CB-CH2 3.74Å; K36-W50 HydrophobicContact CB-CZ2 3.76Å; K36-W50 HydrophobicContact CB-CZ3 4.16Å; K36-S53 PolarHBondContact NZ-OG 3.31Å; K36-E56 IonicContact NZ-OE2 2.61Å; K36-E56 PolarHBondContact NZ-OE2 2.88Å
37S65.3Low64.4Low10 Ų1062.3 Ų62.37%0.0736%0.363CS..Hα-helixtrans-64.7-34.4172.9-67.30000112.6V33 F34 H35 C40 C41 W50 N76V33-S37 WeakPolarHBondContact O-CB 3.39Å; V33-S37 PolarHBondContact O-N 2.78Å; V33-S37 PolarHBondContact O-OG 3.41Å; V33-S37 VanDerWaalsContact O-OG 3.11Å; F34-S37 PolarHBondContact O-N 3.44Å; H35-S37 PolarHBondContact O-N 3.47Å; S37-C40 WeakPolarHBondContact O-CB 3.45Å; S37-C40 PolarHBondContact O-N 3.4Å; S37-C41 PolarHBondContact O-N 3.44Å; S37-W50 WeakPolarHBondContact OG-CZ2 3.29Å; S37-N76 PolarHBondContact OG-O 3.14Å
38M66.2Low63.5Low89 Ų8963.8 Ų63.844%0.43837%0.37SS..Hα-helixtrans-73.9-38.2177.5-74-61.7-59.800112.6F34 H35 K36 C40 C41F34-M38 HydrophobicContact CD1-CG 4.16Å; F34-M38 HydrophobicContact CD2-CG 4.22Å; F34-M38 HydrophobicContact CE1-CG 3.83Å; F34-M38 HydrophobicContact CE2-CG 3.93Å; F34-M38 HydrophobicContact CE2-SD 4.16Å; F34-M38 HydrophobicContact CG-CG 4.37Å; F34-M38 HydrophobicContact CZ-CG 3.72Å; F34-M38 HydrophobicContact CZ-SD 4.02Å; F34-M38 WeakPolarHBondContact O-CB 2.94Å; F34-M38 VanDerWaalsContact O-CG 3.3Å; F34-M38 WeakPolarHBondContact O-CG 3.47Å; F34-M38 PolarHBondContact O-N 2.98Å; H35-M38 CarbonylContact O-C 3.56Å; H35-M38 PolarHBondContact O-N 2.97Å; H35-M38 VanDerWaalsContact O-N 3.09Å; K36-M38 VanDerWaalsContact C-N 3.31Å; K36-M38 PolarHBondContact O-N 3.04Å; M38-C40 PolarHBondContact O-N 3.44Å; M38-C41 WeakPolarHBondContact O-CA 3.49Å; M38-C41 WeakPolarHBondContact O-CB 3.43Å; M38-C41 PolarHBondContact O-N 3.05Å
39D64.4Low62.8Low107 Ų10760.9 Ų60.957%0.57236%0.356SS*.Hα-helixtrans-61.2-27.3173.2-68.9-22.1000111.2H35 K36 C41H35-D39 VanDerWaalsContact O-CG 3.27Å; H35-D39 PolarHBondContact O-N 2.96Å; K36-D39 PolarHBondContact O-N 3.48Å; D39-C41 VanDerWaalsContact C-N 3.35Å
40C55.9Low62.5Low20 Ų2061.4 Ų61.414%0.13536%0.358CS..THydrogen-bonded Turntrans-79.1-14.2171.9-71.20000115K36 S37 M38 G42 C45K36-C40 PolarHBondContact O-N 3.31Å; K36-C40 PolarHBondContact O-SG 3.35Å; S37-C40 WeakPolarHBondContact O-CB 3.45Å; S37-C40 PolarHBondContact O-N 3.4Å; M38-C40 PolarHBondContact O-N 3.44Å; C40-G42 PolarHBondContact O-N 2.87Å; C40-G42 VanDerWaalsContact O-N 3.11Å; C40-C45 WeakPolarHBondContact CA-SG 3.46Å; C40-C45 HydrophobicContact CB-CB 3.48Å; C40-C45 VanDerWaalsContact CB-CB 3.48Å; C40-C45 WeakPolarHBondContact CB-SG 3.35Å; C40-C45 WeakPolarHBondContact SG-CB 3.29Å; C40-C45 CovalentContact SG-SG 2.01Å; C40-C45 PolarHBondContact SG-SG 3.45Å
41C53.5Low62.3Low62 Ų6262.9 Ų62.942%0.41937%0.365SS..THydrogen-bonded Turntrans-82.192.7-170.8-139.80000110.4C5 S37 M38 D39C5-C41 HydrophobicContact CB-CB 4.24Å; C5-C41 WeakPolarHBondContact CB-SG 3.32Å; C5-C41 WeakPolarHBondContact SG-CA 3.31Å; C5-C41 WeakPolarHBondContact SG-CB 3.42Å; C5-C41 CovalentContact SG-SG 2.02Å; C5-C41 PolarHBondContact SG-SG 3.47Å; S37-C41 PolarHBondContact O-N 3.44Å; M38-C41 WeakPolarHBondContact O-CA 3.49Å; M38-C41 WeakPolarHBondContact O-CB 3.43Å; M38-C41 PolarHBondContact O-N 3.05Å; D39-C41 VanDerWaalsContact C-N 3.35Å
42G47.7Very low62.2Low79 Ų7959.2 Ų59.281%0.81437%0.37SS*.THydrogen-bonded Turntrans128.7-24.2168.700000115.4C40C40-G42 PolarHBondContact O-N 2.87Å; C40-G42 VanDerWaalsContact O-N 3.11Å
43T48.9Very low62Low120 Ų12058 Ų5874%0.73637%0.368SS*.THydrogen-bonded Turntrans-95.2-7.3178.744.60000113.5
44G44.6Very low62.3Low55 Ų5559.3 Ų59.357%0.56737%0.374SS*.THydrogen-bonded Turntrans65.393.6-165.100000106.9V46G44-V46 VanDerWaalsContact C-N 3.26Å; G44-V46 PolarHBondContact O-N 3.19Å
45C49.1Very low62.8Low37 Ų3760.6 Ų60.625%0.2538%0.384CS..  trans-57102.3171.7-105.50000107.8C40 D47 V49C40-C45 WeakPolarHBondContact CA-SG 3.46Å; C40-C45 HydrophobicContact CB-CB 3.48Å; C40-C45 VanDerWaalsContact CB-CB 3.48Å; C40-C45 WeakPolarHBondContact CB-SG 3.35Å; C40-C45 WeakPolarHBondContact SG-CB 3.29Å; C40-C45 CovalentContact SG-SG 2.01Å; C40-C45 PolarHBondContact SG-SG 3.45Å; C45-D47 PolarHBondContact O-N 3.05Å; C45-V49 WeakPolarHBondContact SG-CG2 3.35Å
46V49Very low63.1Low98 Ų9860.4 Ų60.459%0.59438%0.383SS*.  trans-43.1132.2147.5-1550000103.7G44 C48 V49G44-V46 VanDerWaalsContact C-N 3.26Å; G44-V46 PolarHBondContact O-N 3.19Å; V46-C48 HydrophobicContact CB-CB 4.18Å; V46-C48 WeakPolarHBondContact CG1-SG 3.42Å; V46-C48 WeakPolarHBondContact O-CA 3.44Å; V46-C48 PolarHBondContact O-N 3.37Å; V46-V49 PolarHBondContact O-N 3.09Å
47D53.4Low63.5Low66 Ų6658.8 Ų58.835%0.35338%0.376SS..THydrogen-bonded Turntrans-39.9-23.3-176.7-51.6-92.2000113.7C45 V49 L51 N79C45-D47 PolarHBondContact O-N 3.05Å; D47-V49 PolarHBondContact O-N 3.46Å; D47-L51 HydrophobicContact CB-CD1 3.92Å; D47-L51 WeakPolarHBondContact O-CG 3.36Å; D47-L51 PolarHBondContact O-N 2.94Å; D47-N79 VanDerWaalsContact OD1-CG 3.26Å; D47-N79 PolarHBondContact OD1-ND2 3.42Å; D47-N79 PolarHBondContact OD1-OD1 3.15Å
48C57.1Low64.4Low72 Ų7258.6 Ų58.649%0.48637%0.374SS..Hα-helixtrans-40-44.2173.5-55.70000119.3V46 W50 L51 A52V46-C48 HydrophobicContact CB-CB 4.18Å; V46-C48 WeakPolarHBondContact CG1-SG 3.42Å; V46-C48 WeakPolarHBondContact O-CA 3.44Å; V46-C48 PolarHBondContact O-N 3.37Å; C48-W50 PolarHBondContact O-N 2.76Å; C48-L51 PolarHBondContact O-N 2.88Å; C48-A52 WeakPolarHBondContact O-CA 3.28Å; C48-A52 WeakPolarHBondContact O-CB 3.37Å; C48-A52 PolarHBondContact O-N 3.41Å
49V66.6Low65.2Low45 Ų4561.2 Ų61.227%0.27338%0.379SS..Hα-helixtrans-67.4-46-170.6173.80000111.6K36 C45 V46 D47 S53K36-V49 HydrophobicContact CD-CG1 3.96Å; C45-V49 WeakPolarHBondContact SG-CG2 3.35Å; V46-V49 PolarHBondContact O-N 3.09Å; D47-V49 PolarHBondContact O-N 3.46Å; V49-S53 VanDerWaalsContact O-CB 3.28Å; V49-S53 WeakPolarHBondContact O-CB 3.34Å; V49-S53 PolarHBondContact O-N 3.12Å; V49-S53 VanDerWaalsContact O-N 3.09Å; V49-S53 PolarHBondContact O-OG 3.23Å
50W72.9Confident65.9Low10 Ų1058 Ų584%0.03837%0.366CS..Hα-helixtrans-67.1-41.7177.6-75.9106.6000111.8Y32 V33 K36 S37 C48 S53 E54 V57 L73 V77 A82 L86Y32-W50 HydrophobicContact CE1-CZ3 4.33Å; V33-W50 HydrophobicContact CB-CH2 4.16Å; V33-W50 HydrophobicContact CG1-CH2 3.97Å; V33-W50 HydrophobicContact CG2-CH2 4.1Å; V33-W50 HydrophobicContact CG2-CZ3 4.41Å; K36-W50 HydrophobicContact CB-CH2 3.74Å; K36-W50 HydrophobicContact CB-CZ2 3.76Å; K36-W50 HydrophobicContact CB-CZ3 4.16Å; S37-W50 WeakPolarHBondContact OG-CZ2 3.29Å; C48-W50 PolarHBondContact O-N 2.76Å; W50-S53 CarbonylContact O-C 3.58Å; W50-S53 PolarHBondContact O-N 2.9Å; W50-E54 PolarHBondContact O-N 2.84Å; W50-V57 HydrophobicContact CE3-CG2 3.78Å; W50-V57 HydrophobicContact CZ3-CG2 3.95Å; W50-L73 HydrophobicContact CH2-CD2 4.35Å; W50-L73 HydrophobicContact CZ3-CD2 3.91Å; W50-V77 HydrophobicContact CD2-CG1 4.27Å; W50-V77 HydrophobicContact CD2-CG2 3.88Å; W50-V77 HydrophobicContact CE3-CG2 4.03Å; W50-V77 HydrophobicContact CG-CG1 4.1Å; W50-V77 HydrophobicContact CH2-CG2 3.93Å; W50-V77 HydrophobicContact CZ2-CG2 3.81Å; W50-V77 HydrophobicContact CZ3-CG2 4.05Å; W50-A82 HydrophobicContact CB-CB 3.86Å; W50-L86 HydrophobicContact CB-CD1 4.12Å; W50-L86 HydrophobicContact CD2-CD1 4.22Å; W50-L86 HydrophobicContact CE3-CD1 3.7Å; W50-L86 HydrophobicContact CG-CD1 4.42Å; W50-L86 HydrophobicContact CZ3-CD1 4.47Å
51L69.4Low67.2Low51 Ų5157.6 Ų57.627%0.26736%0.363SS..Hα-helixtrans-71.5-38.9179.3-63.5178.4000112.8D47 C48 S53 E54 A82 I85D47-L51 HydrophobicContact CB-CD1 3.92Å; D47-L51 WeakPolarHBondContact O-CG 3.36Å; D47-L51 PolarHBondContact O-N 2.94Å; C48-L51 PolarHBondContact O-N 2.88Å; L51-S53 PolarHBondContact O-N 2.9Å; L51-E54 VanDerWaalsContact O-CB 3.24Å; L51-E54 WeakPolarHBondContact O-CB 3.33Å; L51-E54 PolarHBondContact O-N 3.46Å; L51-A82 HydrophobicContact CD2-CB 4.36Å; L51-A82 HydrophobicContact CG-CB 4.36Å; L51-I85 HydrophobicContact CD1-CD1 4.27Å; L51-I85 HydrophobicContact CD2-CB 3.83Å; L51-I85 HydrophobicContact CD2-CD1 3.6Å; L51-I85 HydrophobicContact CD2-CG1 4.31Å; L51-I85 HydrophobicContact CD2-CG2 3.68Å
52A72Confident68.4Low90 Ų9059.4 Ų59.474%0.74437%0.365SS*.Hα-helixtrans-70.4-23.3175.800000112.1C48C48-A52 WeakPolarHBondContact O-CA 3.28Å; C48-A52 WeakPolarHBondContact O-CB 3.37Å; C48-A52 PolarHBondContact O-N 3.41Å
53S74.6Confident69.8Low12 Ų1257.9 Ų57.98%0.08435%0.349CS..THydrogen-bonded Turntrans-103.615177.4-40.50000112.2Y32 K36 V49 W50 L51 D55 E56 V57Y32-S53 WeakPolarHBondContact OH-CB 3.36Å; Y32-S53 PolarHBondContact OH-O 3.28Å; K36-S53 PolarHBondContact NZ-OG 3.31Å; V49-S53 VanDerWaalsContact O-CB 3.28Å; V49-S53 WeakPolarHBondContact O-CB 3.34Å; V49-S53 PolarHBondContact O-N 3.12Å; V49-S53 VanDerWaalsContact O-N 3.09Å; V49-S53 PolarHBondContact O-OG 3.23Å; W50-S53 CarbonylContact O-C 3.58Å; W50-S53 PolarHBondContact O-N 2.9Å; L51-S53 PolarHBondContact O-N 2.9Å; S53-D55 VanDerWaalsContact C-N 3.33Å; S53-D55 PolarHBondContact O-N 3.34Å; S53-E56 CarbonylContact O-C 3.44Å; S53-E56 WeakPolarHBondContact O-CA 3.36Å; S53-E56 VanDerWaalsContact O-CB 3.29Å; S53-E56 WeakPolarHBondContact O-CB 3.21Å; S53-E56 PolarHBondContact O-N 2.89Å; S53-V57 WeakPolarHBondContact O-CG2 3.2Å; S53-V57 PolarHBondContact O-N 2.61Å
54E79Confident71.2Confident27 Ų2753.4 Ų53.413%0.12632%0.32CS..Hα-helixtrans-52.8-49.2-174.6179.7-172.4118.200112W50 L51 E56 V57 V58 I85 L86 R89W50-E54 PolarHBondContact O-N 2.84Å; L51-E54 VanDerWaalsContact O-CB 3.24Å; L51-E54 WeakPolarHBondContact O-CB 3.33Å; L51-E54 PolarHBondContact O-N 3.46Å; E54-E56 PolarHBondContact O-N 3.37Å; E54-V57 WeakPolarHBondContact O-CB 3.42Å; E54-V57 PolarHBondContact O-N 3.07Å; E54-V57 VanDerWaalsContact O-N 3.12Å; E54-V58 WeakPolarHBondContact O-CG2 3.41Å; E54-V58 PolarHBondContact O-N 3.3Å; E54-I85 WeakPolarHBondContact OE2-CG2 3.46Å; E54-L86 HydrophobicContact CB-CD2 4.17Å; E54-L86 HydrophobicContact CG-CD2 3.98Å; E54-R89 HydrophobicContact CG-CG 4.2Å; E54-R89 WeakPolarHBondContact OE1-CG 3.39Å; E54-R89 IonicContact OE1-CZ 2.84Å; E54-R89 IonicContact OE1-NE 3.85Å; E54-R89 PolarHBondContact OE1-NE 2.87Å; E54-R89 IonicContact OE1-NH2 3.71Å; E54-R89 PolarHBondContact OE1-NH2 2.85Å
55D81.9Confident73Confident105 Ų10555.1 Ų55.156%0.56132%0.317SS*.Hα-helixtrans-62-30.5176.1-70.4-29.1000112.9S53 R59S53-D55 VanDerWaalsContact C-N 3.33Å; S53-D55 PolarHBondContact O-N 3.34Å; D55-R59 VanDerWaalsContact O-CB 3.29Å; D55-R59 WeakPolarHBondContact O-CB 3.24Å; D55-R59 WeakPolarHBondContact O-CG 3.47Å; D55-R59 PolarHBondContact O-N 3.06Å; D55-R59 PolarHBondContact O-NE 2.89Å; D55-R59 VanDerWaalsContact O-NE 3.11Å
56E82.2Confident74.8Confident79 Ų7954.5 Ų54.537%0.36931%0.312SS..Hα-helixtrans-72.3-44173.3-69176.3179.300111.1Y32 K36 S53 E54 V58 R59 S60Y32-E56 HydrophobicContact CE2-CB 3.97Å; Y32-E56 VanDerWaalsContact OH-CB 3.28Å; Y32-E56 WeakPolarHBondContact OH-CB 3.27Å; K36-E56 IonicContact NZ-OE2 2.61Å; K36-E56 PolarHBondContact NZ-OE2 2.88Å; S53-E56 CarbonylContact O-C 3.44Å; S53-E56 WeakPolarHBondContact O-CA 3.36Å; S53-E56 VanDerWaalsContact O-CB 3.29Å; S53-E56 WeakPolarHBondContact O-CB 3.21Å; S53-E56 PolarHBondContact O-N 2.89Å; E54-E56 PolarHBondContact O-N 3.37Å; E56-V58 VanDerWaalsContact C-N 3.3Å; E56-V58 PolarHBondContact O-N 3.28Å; E56-R59 VanDerWaalsContact CG-NH2 3.32Å; E56-R59 PolarHBondContact O-N 2.8Å; E56-S60 WeakPolarHBondContact O-CB 3.25Å; E56-S60 PolarHBondContact O-N 2.98Å; E56-S60 PolarHBondContact O-OG 3.34Å
57V80.7Confident76.5Confident0 Ų055.5 Ų55.50%031%0.314CS..Hα-helixtrans-56.6-49176.3-172.30000109.9F29 Y32 W50 S53 E54 S60 C61 L73 L86F29-V57 HydrophobicContact CE2-CG1 3.99Å; F29-V57 HydrophobicContact CZ-CG1 4.36Å; Y32-V57 HydrophobicContact CE1-CB 4.26Å; Y32-V57 HydrophobicContact CE1-CG2 3.88Å; Y32-V57 PolarHBondContact OH-N 2.68Å; W50-V57 HydrophobicContact CE3-CG2 3.78Å; W50-V57 HydrophobicContact CZ3-CG2 3.95Å; S53-V57 WeakPolarHBondContact O-CG2 3.2Å; S53-V57 PolarHBondContact O-N 2.61Å; E54-V57 WeakPolarHBondContact O-CB 3.42Å; E54-V57 PolarHBondContact O-N 3.07Å; E54-V57 VanDerWaalsContact O-N 3.12Å; V57-S60 PolarHBondContact O-N 3.5Å; V57-C61 PolarHBondContact O-N 3.38Å; V57-C61 VanDerWaalsContact O-N 3.15Å; V57-L73 HydrophobicContact CG1-CD1 3.9Å; V57-L73 HydrophobicContact CG1-CD2 3.78Å; V57-L73 HydrophobicContact CG1-CG 4.43Å; V57-L86 HydrophobicContact CB-CD2 3.79Å; V57-L86 HydrophobicContact CG1-CD1 4.41Å; V57-L86 HydrophobicContact CG1-CD2 4.05Å; V57-L86 HydrophobicContact CG2-CD1 4.24Å; V57-L86 HydrophobicContact CG2-CD2 3.57Å
58V83Confident77.9Confident6 Ų653.6 Ų53.64%0.03630%0.304CS..Hα-helixtrans-66.3-41-177.7176.60000111.3E54 E56 C61 R89 L90 Q93E54-V58 WeakPolarHBondContact O-CG2 3.41Å; E54-V58 PolarHBondContact O-N 3.3Å; E56-V58 VanDerWaalsContact C-N 3.3Å; E56-V58 PolarHBondContact O-N 3.28Å; V58-C61 WeakPolarHBondContact O-CB 3.43Å; V58-C61 PolarHBondContact O-N 3.44Å; V58-R89 HydrophobicContact CG2-CB 4.08Å; V58-L90 HydrophobicContact CB-CD2 4.35Å; V58-L90 HydrophobicContact CG1-CD2 4.3Å; V58-L90 HydrophobicContact CG2-CD2 4.1Å; V58-L90 HydrophobicContact CG2-CG 4.38Å; V58-Q93 HydrophobicContact CG1-CG 3.93Å; V58-Q93 VanDerWaalsContact CG1-NE2 3.28Å
59R83.7Confident79.2Confident144 Ų14450.1 Ų50.154%0.54328%0.281SS..Hα-helixtrans-63.9-41.9174-79.2-177.2-63.8171.71.9112.6D55 E56 C61 Q62D55-R59 VanDerWaalsContact O-CB 3.29Å; D55-R59 WeakPolarHBondContact O-CB 3.24Å; D55-R59 WeakPolarHBondContact O-CG 3.47Å; D55-R59 PolarHBondContact O-N 3.06Å; D55-R59 PolarHBondContact O-NE 2.89Å; D55-R59 VanDerWaalsContact O-NE 3.11Å; E56-R59 VanDerWaalsContact CG-NH2 3.32Å; E56-R59 PolarHBondContact O-N 2.8Å; R59-C61 PolarHBondContact O-N 3.43Å; R59-Q62 VanDerWaalsContact O-CB 3.23Å; R59-Q62 WeakPolarHBondContact O-CB 3.35Å; R59-Q62 VanDerWaalsContact O-CG 3.29Å; R59-Q62 WeakPolarHBondContact O-CG 2.97Å; R59-Q62 PolarHBondContact O-N 3.32Å
60S79.7Confident80.2Confident41 Ų4149.4 Ų49.429%0.28728%0.276SS..Hα-helixtrans-67.5-18178-64.70000113.2E56 V57 Q62E56-S60 WeakPolarHBondContact O-CB 3.25Å; E56-S60 PolarHBondContact O-N 2.98Å; E56-S60 PolarHBondContact O-OG 3.34Å; V57-S60 PolarHBondContact O-N 3.5Å; S60-Q62 VanDerWaalsContact C-N 3.33Å
61C81.8Confident80.7Confident10 Ų1053.9 Ų53.97%0.06830%0.295CS..THydrogen-bonded Turntrans-80.7-8.1170.2-83.50000114.6F29 V57 V58 R59 G63 L64 C69 L90F29-C61 WeakPolarHBondContact CE2-SG 3.4Å; F29-C61 WeakPolarHBondContact CZ-SG 3.44Å; V57-C61 PolarHBondContact O-N 3.38Å; V57-C61 VanDerWaalsContact O-N 3.15Å; V58-C61 WeakPolarHBondContact O-CB 3.43Å; V58-C61 PolarHBondContact O-N 3.44Å; R59-C61 PolarHBondContact O-N 3.43Å; C61-G63 PolarHBondContact O-N 3.18Å; C61-L64 WeakPolarHBondContact O-CB 3.48Å; C61-L64 PolarHBondContact O-N 2.93Å; C61-L64 VanDerWaalsContact O-N 3.1Å; C61-C69 WeakPolarHBondContact CA-SG 3.22Å; C61-C69 HydrophobicContact CB-CB 4.04Å; C61-C69 WeakPolarHBondContact CB-SG 3.42Å; C61-C69 WeakPolarHBondContact SG-CB 3.23Å; C61-C69 CovalentContact SG-SG 2.03Å; C61-C69 PolarHBondContact SG-SG 3.44Å; C61-L90 HydrophobicContact CB-CD2 3.58Å
62Q79.8Confident81.2Confident101 Ų10151.5 Ų51.547%0.47228%0.283SS..THydrogen-bonded Turntrans-64132.6178.2-66.8179.8-4.700110.7R59 S60 L64R59-Q62 VanDerWaalsContact O-CB 3.23Å; R59-Q62 WeakPolarHBondContact O-CB 3.35Å; R59-Q62 VanDerWaalsContact O-CG 3.29Å; R59-Q62 WeakPolarHBondContact O-CG 2.97Å; R59-Q62 PolarHBondContact O-N 3.32Å; S60-Q62 VanDerWaalsContact C-N 3.33Å; Q62-L64 VanDerWaalsContact C-N 3.31Å
63G77Confident81.6Confident46 Ų4647.2 Ų47.247%0.47425%0.247SC..THydrogen-bonded Turntrans86.9-3.9-175.400000114.4C61C61-G63 PolarHBondContact O-N 3.18Å
64L78.2Confident81.9Confident26 Ų2649.4 Ų49.414%0.13626%0.258CS..SBendtrans-105.3160.3171.1-60.7177.5000111.5K22 H25 L26 F29 C61 Q62K22-L64 WeakPolarHBondContact O-CD2 3.44Å; H25-L64 HydrophobicContact CB-CD2 3.8Å; H25-L64 HydrophobicContact CB-CG 3.95Å; L26-L64 HydrophobicContact CB-CD1 4.41Å; L26-L64 HydrophobicContact CB-CD2 3.86Å; L26-L64 HydrophobicContact CD1-CD1 4.18Å; F29-L64 HydrophobicContact CB-CD1 3.8Å; F29-L64 HydrophobicContact CD1-CD1 4.09Å; F29-L64 HydrophobicContact CG-CD1 4.16Å; C61-L64 WeakPolarHBondContact O-CB 3.48Å; C61-L64 PolarHBondContact O-N 2.93Å; C61-L64 VanDerWaalsContact O-N 3.1Å; Q62-L64 VanDerWaalsContact C-N 3.31Å
65D82.8Confident81.6Confident92 Ų9251 Ų5149%0.49227%0.265SS..  trans-71.1136.5167.9178.9-94000110.2D67 T68 C69D65-D67 VanDerWaalsContact C-N 3.3Å; D65-D67 PolarHBondContact O-N 3.21Å; D65-D67 WeakPolarHBondContact OD1-CA 3.28Å; D65-D67 VanDerWaalsContact OD1-CB 3.28Å; D65-D67 WeakPolarHBondContact OD1-CB 3.47Å; D65-D67 PolarHBondContact OD1-N 3.15Å; D65-T68 WeakPolarHBondContact O-CB 3.41Å; D65-T68 PolarHBondContact O-N 3.41Å; D65-T68 VanDerWaalsContact O-N 3.15Å; D65-T68 PolarHBondContact OD1-N 3.35Å; D65-C69 PolarHBondContact O-N 2.84Å; D65-C69 VanDerWaalsContact O-N 3.09Å
66V85.7Confident81.1Confident23 Ų2346.3 Ų46.314%0.13924%0.241CC..Hα-helixtrans-64.4-35.4-174.6167.40000111.9T68 C69 I70 L90 N94V66-T68 VanDerWaalsContact C-N 3.29Å; V66-T68 PolarHBondContact O-N 2.86Å; V66-C69 WeakPolarHBondContact O-CB 3.47Å; V66-C69 PolarHBondContact O-N 3.05Å; V66-I70 HydrophobicContact CG1-CD1 3.65Å; V66-I70 HydrophobicContact CG1-CG1 4.2Å; V66-I70 VanDerWaalsContact O-CG1 3.32Å; V66-I70 WeakPolarHBondContact O-CG1 3.3Å; V66-I70 PolarHBondContact O-N 3.39Å; V66-L90 HydrophobicContact CG1-CB 4.15Å; V66-N94 HydrophobicContact CG2-CB 3.97Å; V66-N94 VanDerWaalsContact CG2-ND2 3.27Å; V66-N94 WeakPolarHBondContact CG2-ND2 2.97Å
67D86.1Confident80.7Confident119 Ų11942.7 Ų42.764%0.63622%0.224SC*.Hα-helixtrans-67-36.1177.8-63.7-22.4000110.8D65 C69 I70 K71D65-D67 VanDerWaalsContact C-N 3.3Å; D65-D67 PolarHBondContact O-N 3.21Å; D65-D67 WeakPolarHBondContact OD1-CA 3.28Å; D65-D67 VanDerWaalsContact OD1-CB 3.28Å; D65-D67 WeakPolarHBondContact OD1-CB 3.47Å; D65-D67 PolarHBondContact OD1-N 3.15Å; D67-C69 VanDerWaalsContact C-N 3.35Å; D67-I70 PolarHBondContact O-N 3.09Å; D67-K71 WeakPolarHBondContact O-CB 3.11Å; D67-K71 PolarHBondContact O-N 2.9Å
68T82.3Confident80.2Confident26 Ų2646.4 Ų46.416%0.1625%0.254CS..Hα-helixtrans-62.3-44.3173.3-61.80000111.2F16 L26 D65 V66 K71 L72F16-T68 HydrophobicContact CD1-CG2 3.59Å; F16-T68 HydrophobicContact CE1-CG2 4.07Å; F16-T68 HydrophobicContact CG-CG2 4.22Å; L26-T68 HydrophobicContact CD1-CG2 3.89Å; D65-T68 WeakPolarHBondContact O-CB 3.41Å; D65-T68 PolarHBondContact O-N 3.41Å; D65-T68 VanDerWaalsContact O-N 3.15Å; D65-T68 PolarHBondContact OD1-N 3.35Å; V66-T68 VanDerWaalsContact C-N 3.29Å; V66-T68 PolarHBondContact O-N 2.86Å; T68-K71 PolarHBondContact O-N 3.46Å; T68-L72 PolarHBondContact O-N 3.09Å
69C84.7Confident79.6Confident0 Ų048.3 Ų48.30%026%0.264CS..Hα-helixtrans-62.4-47.8176-94.10000112.8F29 C61 D65 V66 D67 K71 L72 L73 L90F29-C69 HydrophobicContact CE1-CB 4.12Å; F29-C69 VanDerWaalsContact CE1-SG 3.6Å; F29-C69 HydrophobicContact CZ-CB 4.38Å; C61-C69 WeakPolarHBondContact CA-SG 3.22Å; C61-C69 HydrophobicContact CB-CB 4.04Å; C61-C69 WeakPolarHBondContact CB-SG 3.42Å; C61-C69 WeakPolarHBondContact SG-CB 3.23Å; C61-C69 CovalentContact SG-SG 2.03Å; C61-C69 PolarHBondContact SG-SG 3.44Å; D65-C69 PolarHBondContact O-N 2.84Å; D65-C69 VanDerWaalsContact O-N 3.09Å; V66-C69 WeakPolarHBondContact O-CB 3.47Å; V66-C69 PolarHBondContact O-N 3.05Å; D67-C69 VanDerWaalsContact C-N 3.35Å; C69-K71 VanDerWaalsContact C-N 3.31Å; C69-K71 PolarHBondContact O-N 3.38Å; C69-L72 WeakPolarHBondContact O-CB 3.39Å; C69-L72 PolarHBondContact O-N 3Å; C69-L73 WeakPolarHBondContact O-CG 3.24Å; C69-L73 PolarHBondContact O-N 3.1Å; C69-L90 HydrophobicContact CB-CD1 4.06Å
70I87.3Confident79.3Confident30 Ų3047.6 Ų47.615%0.15426%0.262CS..Hα-helixtrans-59.3-44.5178.2-70.6167.6000110.5V66 D67 L72 L73 D74 F83 K87 L90V66-I70 HydrophobicContact CG1-CD1 3.65Å; V66-I70 HydrophobicContact CG1-CG1 4.2Å; V66-I70 VanDerWaalsContact O-CG1 3.32Å; V66-I70 WeakPolarHBondContact O-CG1 3.3Å; V66-I70 PolarHBondContact O-N 3.39Å; D67-I70 PolarHBondContact O-N 3.09Å; I70-L72 VanDerWaalsContact C-N 3.34Å; I70-L72 PolarHBondContact O-N 3.19Å; I70-L73 PolarHBondContact O-N 3.49Å; I70-D74 PolarHBondContact O-N 2.71Å; I70-F83 HydrophobicContact CG2-CE2 4.29Å; I70-F83 HydrophobicContact CG2-CZ 4.08Å; I70-K87 HydrophobicContact CD1-CG 4.05Å; I70-K87 HydrophobicContact CG1-CG 4.17Å; I70-K87 HydrophobicContact CG2-CD 4.29Å; I70-K87 HydrophobicContact CG2-CG 4.26Å; I70-L90 HydrophobicContact CG1-CD1 4.18Å
71K83.3Confident79.3Confident104 Ų10449.9 Ų49.945%0.45227%0.274SS..Hα-helixtrans-60-45.1177.3-175.6176.9179.3179.70111.8F16 D67 T68 C69 L73 D74 E75F16-K71 HydrophobicContact CE1-CD 4.21Å; F16-K71 HydrophobicContact CZ-CD 4.23Å; D67-K71 WeakPolarHBondContact O-CB 3.11Å; D67-K71 PolarHBondContact O-N 2.9Å; T68-K71 PolarHBondContact O-N 3.46Å; C69-K71 VanDerWaalsContact C-N 3.31Å; C69-K71 PolarHBondContact O-N 3.38Å; K71-L73 VanDerWaalsContact C-N 3.31Å; K71-L73 PolarHBondContact O-N 3.35Å; K71-D74 PolarHBondContact O-N 2.82Å; K71-E75 WeakPolarHBondContact CE-OE1 3.18Å; K71-E75 WeakPolarHBondContact O-CG 3.35Å; K71-E75 PolarHBondContact O-N 3.48Å; K71-E75 VanDerWaalsContact O-N 3.15Å
72L78.9Confident79Confident1 Ų149.4 Ų49.41%0.00527%0.271CS..Hα-helixtrans-61.8-38.9175.9-95.7172.9000112.4L8 L11 L26 F29 T68 C69 I70 N76L8-L72 HydrophobicContact CD2-CD2 4.22Å; L11-L72 HydrophobicContact CB-CD2 4.49Å; L11-L72 HydrophobicContact CD1-CD2 3.88Å; L11-L72 HydrophobicContact CD2-CD1 4.38Å; L11-L72 HydrophobicContact CD2-CD2 3.61Å; L11-L72 HydrophobicContact CD2-CG 3.85Å; L11-L72 HydrophobicContact CG-CD2 4.21Å; L26-L72 HydrophobicContact CD1-CD1 3.45Å; L26-L72 VanDerWaalsContact CD1-CD1 3.45Å; F29-L72 HydrophobicContact CD1-CB 4.27Å; F29-L72 HydrophobicContact CD1-CD1 3.54Å; F29-L72 HydrophobicContact CE1-CB 3.68Å; F29-L72 HydrophobicContact CE1-CD1 3.84Å; F29-L72 HydrophobicContact CE1-CG 4.41Å; T68-L72 PolarHBondContact O-N 3.09Å; C69-L72 WeakPolarHBondContact O-CB 3.39Å; C69-L72 PolarHBondContact O-N 3Å; I70-L72 VanDerWaalsContact C-N 3.34Å; I70-L72 PolarHBondContact O-N 3.19Å; L72-N76 PolarHBondContact O-N 2.71Å; L72-N76 PolarHBondContact O-ND2 3.49Å
73L80Confident79.2Confident0 Ų045.1 Ų45.10%025%0.25CS..Hα-helixtrans-69.1-42.2175.9-67.4174.5000112.3F29 V33 W50 V57 C69 I70 K71 E75 N76 V77 F83 L86 L90F29-L73 HydrophobicContact CZ-CD1 4.49Å; F29-L73 HydrophobicContact CZ-CD2 3.88Å; F29-L73 HydrophobicContact CZ-CG 3.97Å; V33-L73 HydrophobicContact CG2-CD2 3.99Å; W50-L73 HydrophobicContact CH2-CD2 4.35Å; W50-L73 HydrophobicContact CZ3-CD2 3.91Å; V57-L73 HydrophobicContact CG1-CD1 3.9Å; V57-L73 HydrophobicContact CG1-CD2 3.78Å; V57-L73 HydrophobicContact CG1-CG 4.43Å; C69-L73 WeakPolarHBondContact O-CG 3.24Å; C69-L73 PolarHBondContact O-N 3.1Å; I70-L73 PolarHBondContact O-N 3.49Å; K71-L73 VanDerWaalsContact C-N 3.31Å; K71-L73 PolarHBondContact O-N 3.35Å; L73-E75 PolarHBondContact O-N 3.46Å; L73-N76 PolarHBondContact O-N 3.46Å; L73-V77 HydrophobicContact CB-CG2 4Å; L73-V77 HydrophobicContact CD2-CG2 3.72Å; L73-V77 HydrophobicContact CG-CG2 4.45Å; L73-V77 VanDerWaalsContact O-CB 3.32Å; L73-V77 WeakPolarHBondContact O-CB 3.48Å; L73-V77 WeakPolarHBondContact O-CG2 3.3Å; L73-V77 PolarHBondContact O-N 3.11Å; L73-F83 HydrophobicContact CB-CD2 4Å; L73-F83 HydrophobicContact CB-CE2 4.09Å; L73-L86 HydrophobicContact CD1-CB 4.01Å; L73-L86 HydrophobicContact CD1-CD1 4.34Å; L73-L86 HydrophobicContact CD2-CD1 4.34Å; L73-L90 HydrophobicContact CD1-CD1 3.53Å
74D81.4Confident79.5Confident57 Ų5746.6 Ų46.631%0.30525%0.245SC..Hα-helixtrans-59.6-34.1177.6178.947.1000112.2K6 I70 K71 N76 R80 F83K6-D74 PolarHBondContact NZ-O 3.31Å; I70-D74 PolarHBondContact O-N 2.71Å; K71-D74 PolarHBondContact O-N 2.82Å; D74-N76 VanDerWaalsContact C-N 3.33Å; D74-N76 PolarHBondContact O-N 3.45Å; D74-R80 IonicContact OD1-CZ 3.25Å; D74-R80 VanDerWaalsContact OD1-CZ 3.25Å; D74-R80 IonicContact OD1-NH1 3.91Å; D74-R80 PolarHBondContact OD1-NH1 3.45Å; D74-R80 IonicContact OD1-NH2 2.93Å; D74-R80 PolarHBondContact OD1-NH2 2.96Å; D74-F83 VanDerWaalsContact CA-CE2 3.49Å; D74-F83 HydrophobicContact CB-CD2 4.33Å; D74-F83 HydrophobicContact CB-CE2 3.59Å; D74-F83 HydrophobicContact CB-CZ 3.82Å; D74-F83 VanDerWaalsContact N-CE2 3.33Å
75E74.1Confident79.8Confident60 Ų6048.2 Ų48.228%0.2825%0.253SS..Hα-helixtrans-76.4-15177.6-70.4-175.7-155.700113.8K6 L11 K71 L73K6-E75 VanDerWaalsContact CB-O 3.22Å; K6-E75 WeakPolarHBondContact CB-O 3.42Å; K6-E75 WeakPolarHBondContact CD-O 3.37Å; L11-E75 WeakPolarHBondContact CD1-OE2 3.46Å; K71-E75 WeakPolarHBondContact CE-OE1 3.18Å; K71-E75 WeakPolarHBondContact O-CG 3.35Å; K71-E75 PolarHBondContact O-N 3.48Å; K71-E75 VanDerWaalsContact O-N 3.15Å; L73-E75 PolarHBondContact O-N 3.46Å
76N70.5Confident79.9Confident8 Ų843.8 Ų43.84%0.04323%0.229CC..Hα-helixtrans-132.7-22.5-169.4-68.2-68.6000116L8 V33 S37 L72 L73 D74 A78L8-N76 WeakPolarHBondContact CD2-ND2 3.34Å; L8-N76 WeakPolarHBondContact CD2-OD1 2.95Å; L8-N76 WeakPolarHBondContact CG-OD1 3.32Å; V33-N76 HydrophobicContact CG1-CB 3.17Å; S37-N76 PolarHBondContact OG-O 3.14Å; L72-N76 PolarHBondContact O-N 2.71Å; L72-N76 PolarHBondContact O-ND2 3.49Å; L73-N76 PolarHBondContact O-N 3.46Å; D74-N76 VanDerWaalsContact C-N 3.33Å; D74-N76 PolarHBondContact O-N 3.45Å; N76-A78 PolarHBondContact O-N 2.65Å
77V73.3Confident80.1Confident3 Ų345.8 Ų45.82%0.01824%0.236CC..  trans-89.796.3175.2-173.20000107.7W50 L73 N79 A82 F83 L86W50-V77 HydrophobicContact CD2-CG1 4.27Å; W50-V77 HydrophobicContact CD2-CG2 3.88Å; W50-V77 HydrophobicContact CE3-CG2 4.03Å; W50-V77 HydrophobicContact CG-CG1 4.1Å; W50-V77 HydrophobicContact CH2-CG2 3.93Å; W50-V77 HydrophobicContact CZ2-CG2 3.81Å; W50-V77 HydrophobicContact CZ3-CG2 4.05Å; L73-V77 HydrophobicContact CB-CG2 4Å; L73-V77 HydrophobicContact CD2-CG2 3.72Å; L73-V77 HydrophobicContact CG-CG2 4.45Å; L73-V77 VanDerWaalsContact O-CB 3.32Å; L73-V77 WeakPolarHBondContact O-CB 3.48Å; L73-V77 WeakPolarHBondContact O-CG2 3.3Å; L73-V77 PolarHBondContact O-N 3.11Å; V77-N79 WeakPolarHBondContact CG1-O 3.43Å; V77-N79 PolarHBondContact O-N 3Å; V77-A82 HydrophobicContact CG1-CB 4.06Å; V77-F83 HydrophobicContact CB-CB 4.29Å; V77-F83 HydrophobicContact CG1-CB 4.08Å; V77-L86 HydrophobicContact CG2-CD1 4.21Å
78A70.2Confident80.3Confident77 Ų7744.3 Ų44.364%0.63623%0.228SC*.  trans-66.3-27.7-179.400000112.9N76 R80N76-A78 PolarHBondContact O-N 2.65Å; A78-R80 PolarHBondContact O-N 3.42Å
79N71.5Confident80.5Confident47 Ų4748.2 Ų48.225%0.25124%0.24SC..  trans-80.9115.6178.8-171.8-64.1000110.9D47 V77 V81 A82 F83D47-N79 VanDerWaalsContact OD1-CG 3.26Å; D47-N79 PolarHBondContact OD1-ND2 3.42Å; D47-N79 PolarHBondContact OD1-OD1 3.15Å; V77-N79 WeakPolarHBondContact CG1-O 3.43Å; V77-N79 PolarHBondContact O-N 3Å; N79-V81 PolarHBondContact O-N 2.76Å; N79-V81 WeakPolarHBondContact OD1-CB 3.48Å; N79-V81 PolarHBondContact OD1-N 2.97Å; N79-A82 HydrophobicContact CB-CB 4.03Å; N79-A82 PolarHBondContact O-N 3.46Å; N79-A82 PolarHBondContact OD1-N 2.97Å; N79-F83 WeakPolarHBondContact O-CB 3.46Å; N79-F83 PolarHBondContact O-N 2.76Å
80R77.7Confident80.7Confident128 Ų12848.4 Ų48.448%0.48324%0.241SC..Hα-helixtrans-68.9-32.3-176.4-72.5-67.5177.9-164.3-1.8114.1D74 A78 F83 E84D74-R80 IonicContact OD1-CZ 3.25Å; D74-R80 VanDerWaalsContact OD1-CZ 3.25Å; D74-R80 IonicContact OD1-NH1 3.91Å; D74-R80 PolarHBondContact OD1-NH1 3.45Å; D74-R80 IonicContact OD1-NH2 2.93Å; D74-R80 PolarHBondContact OD1-NH2 2.96Å; A78-R80 PolarHBondContact O-N 3.42Å; R80-F83 PolarHBondContact O-N 2.74Å; R80-E84 WeakPolarHBondContact O-CG 3.44Å; R80-E84 PolarHBondContact O-N 3.4Å
81V78.9Confident80.7Confident90 Ų9049.8 Ų49.855%0.54525%0.251SS..Hα-helixtrans-67.8-47.3177178.30000109.9N79 F83 E84 I85N79-V81 PolarHBondContact O-N 2.76Å; N79-V81 WeakPolarHBondContact OD1-CB 3.48Å; N79-V81 PolarHBondContact OD1-N 2.97Å; V81-F83 VanDerWaalsContact C-N 3.31Å; V81-F83 PolarHBondContact O-N 3Å; V81-E84 PolarHBondContact O-N 3.49Å; V81-I85 HydrophobicContact CG1-CD1 3.96Å; V81-I85 WeakPolarHBondContact O-CG1 3.32Å; V81-I85 PolarHBondContact O-N 3.35Å; V81-I85 VanDerWaalsContact O-N 3.09Å
82A75.6Confident80.8Confident0 Ų049.5 Ų49.50%025%0.251CS..Hα-helixtrans-60.9-41.4175.400000111.9W50 L51 V77 N79 I85 L86W50-A82 HydrophobicContact CB-CB 3.86Å; L51-A82 HydrophobicContact CD2-CB 4.36Å; L51-A82 HydrophobicContact CG-CB 4.36Å; V77-A82 HydrophobicContact CG1-CB 4.06Å; N79-A82 HydrophobicContact CB-CB 4.03Å; N79-A82 PolarHBondContact O-N 3.46Å; N79-A82 PolarHBondContact OD1-N 2.97Å; A82-I85 PolarHBondContact O-N 3.45Å; A82-L86 WeakPolarHBondContact O-CB 2.88Å; A82-L86 WeakPolarHBondContact O-CG 3.02Å; A82-L86 PolarHBondContact O-N 2.93Å
83F82.9Confident80.7Confident11 Ų1153.5 Ų53.55%0.04827%0.27CS..Hα-helixtrans-59.1-50.2175.9170.1-100.8000112.5I70 L73 D74 V77 N79 R80 V81 I85 L86 K87I70-F83 HydrophobicContact CG2-CE2 4.29Å; I70-F83 HydrophobicContact CG2-CZ 4.08Å; L73-F83 HydrophobicContact CB-CD2 4Å; L73-F83 HydrophobicContact CB-CE2 4.09Å; D74-F83 VanDerWaalsContact CA-CE2 3.49Å; D74-F83 HydrophobicContact CB-CD2 4.33Å; D74-F83 HydrophobicContact CB-CE2 3.59Å; D74-F83 HydrophobicContact CB-CZ 3.82Å; D74-F83 VanDerWaalsContact N-CE2 3.33Å; V77-F83 HydrophobicContact CB-CB 4.29Å; V77-F83 HydrophobicContact CG1-CB 4.08Å; N79-F83 WeakPolarHBondContact O-CB 3.46Å; N79-F83 PolarHBondContact O-N 2.76Å; R80-F83 PolarHBondContact O-N 2.74Å; V81-F83 VanDerWaalsContact C-N 3.31Å; V81-F83 PolarHBondContact O-N 3Å; F83-I85 VanDerWaalsContact C-N 3.35Å; F83-I85 PolarHBondContact O-N 3.02Å; F83-L86 PolarHBondContact O-N 3.17Å; F83-K87 HydrophobicContact CE1-CD 3.85Å; F83-K87 HydrophobicContact CZ-CD 3.86Å; F83-K87 VanDerWaalsContact O-CB 3.23Å; F83-K87 WeakPolarHBondContact O-CB 3.38Å; F83-K87 PolarHBondContact O-N 2.81Å
84E84.3Confident80.2Confident77 Ų7757.5 Ų57.536%0.3629%0.291SS..Hα-helixtrans-64.1-39.9-179.3-66.8-57.9147.900111.5R80 V81 L86 K87 D88R80-E84 WeakPolarHBondContact O-CG 3.44Å; R80-E84 PolarHBondContact O-N 3.4Å; V81-E84 PolarHBondContact O-N 3.49Å; E84-L86 PolarHBondContact O-N 3.49Å; E84-K87 PolarHBondContact O-N 3.44Å; E84-K87 IonicContact OE1-NZ 2.77Å; E84-K87 IonicContact OE2-NZ 2.64Å; E84-K87 PolarHBondContact OE2-NZ 3.24Å; E84-D88 WeakPolarHBondContact O-CB 3.11Å; E84-D88 VanDerWaalsContact O-CG 3.31Å; E84-D88 PolarHBondContact O-N 3.23Å
85I84.7Confident79.3Confident59 Ų5959.1 Ų59.130%0.30330%0.303SS..Hα-helixtrans-61.8-47.4175.8-68.1166.3000111.2L51 E54 V81 A82 F83 K87 D88 R89L51-I85 HydrophobicContact CD1-CD1 4.27Å; L51-I85 HydrophobicContact CD2-CB 3.83Å; L51-I85 HydrophobicContact CD2-CD1 3.6Å; L51-I85 HydrophobicContact CD2-CG1 4.31Å; L51-I85 HydrophobicContact CD2-CG2 3.68Å; E54-I85 WeakPolarHBondContact OE2-CG2 3.46Å; V81-I85 HydrophobicContact CG1-CD1 3.96Å; V81-I85 WeakPolarHBondContact O-CG1 3.32Å; V81-I85 PolarHBondContact O-N 3.35Å; V81-I85 VanDerWaalsContact O-N 3.09Å; A82-I85 PolarHBondContact O-N 3.45Å; F83-I85 VanDerWaalsContact C-N 3.35Å; F83-I85 PolarHBondContact O-N 3.02Å; I85-K87 VanDerWaalsContact C-N 3.32Å; I85-K87 PolarHBondContact O-N 2.93Å; I85-D88 PolarHBondContact O-N 2.64Å; I85-R89 VanDerWaalsContact O-CG 3.29Å; I85-R89 WeakPolarHBondContact O-CG 3.46Å; I85-R89 PolarHBondContact O-N 3.28Å
86L84.8Confident78.5Confident0 Ų060.3 Ų60.30%032%0.319CS..Hα-helixtrans-62.1-41178-71172.2000112W50 E54 V57 L73 V77 A82 F83 E84 R89 L90W50-L86 HydrophobicContact CB-CD1 4.12Å; W50-L86 HydrophobicContact CD2-CD1 4.22Å; W50-L86 HydrophobicContact CE3-CD1 3.7Å; W50-L86 HydrophobicContact CG-CD1 4.42Å; W50-L86 HydrophobicContact CZ3-CD1 4.47Å; E54-L86 HydrophobicContact CB-CD2 4.17Å; E54-L86 HydrophobicContact CG-CD2 3.98Å; V57-L86 HydrophobicContact CB-CD2 3.79Å; V57-L86 HydrophobicContact CG1-CD1 4.41Å; V57-L86 HydrophobicContact CG1-CD2 4.05Å; V57-L86 HydrophobicContact CG2-CD1 4.24Å; V57-L86 HydrophobicContact CG2-CD2 3.57Å; L73-L86 HydrophobicContact CD1-CB 4.01Å; L73-L86 HydrophobicContact CD1-CD1 4.34Å; L73-L86 HydrophobicContact CD2-CD1 4.34Å; V77-L86 HydrophobicContact CG2-CD1 4.21Å; A82-L86 WeakPolarHBondContact O-CB 2.88Å; A82-L86 WeakPolarHBondContact O-CG 3.02Å; A82-L86 PolarHBondContact O-N 2.93Å; F83-L86 PolarHBondContact O-N 3.17Å; E84-L86 PolarHBondContact O-N 3.49Å; L86-R89 PolarHBondContact O-N 3.32Å; L86-L90 WeakPolarHBondContact O-CB 3.47Å; L86-L90 VanDerWaalsContact O-CG 3.31Å; L86-L90 WeakPolarHBondContact O-CG 2.92Å; L86-L90 PolarHBondContact O-N 2.64Å
87K89.6Confident77.6Confident64 Ų6467.6 Ų67.628%0.27835%0.35SS..Hα-helixtrans-64.7-44.8177.8174.2-176.6154.6-148.60111.8I70 F83 E84 I85 R89 L90 T91I70-K87 HydrophobicContact CD1-CG 4.05Å; I70-K87 HydrophobicContact CG1-CG 4.17Å; I70-K87 HydrophobicContact CG2-CD 4.29Å; I70-K87 HydrophobicContact CG2-CG 4.26Å; F83-K87 HydrophobicContact CE1-CD 3.85Å; F83-K87 HydrophobicContact CZ-CD 3.86Å; F83-K87 VanDerWaalsContact O-CB 3.23Å; F83-K87 WeakPolarHBondContact O-CB 3.38Å; F83-K87 PolarHBondContact O-N 2.81Å; E84-K87 PolarHBondContact O-N 3.44Å; E84-K87 IonicContact OE1-NZ 2.77Å; E84-K87 IonicContact OE2-NZ 2.64Å; E84-K87 PolarHBondContact OE2-NZ 3.24Å; I85-K87 VanDerWaalsContact C-N 3.32Å; I85-K87 PolarHBondContact O-N 2.93Å; K87-R89 VanDerWaalsContact C-N 3.32Å; K87-R89 PolarHBondContact O-N 3.47Å; K87-L90 PolarHBondContact O-N 3.37Å; K87-T91 WeakPolarHBondContact O-CB 3.22Å; K87-T91 PolarHBondContact O-N 3.45Å; K87-T91 PolarHBondContact O-OG1 3.07Å
88D90.4Very high76.4Confident88 Ų8870.5 Ų70.547%0.47138%0.38SS..Hα-helixtrans-59.4-46.1176-74.9-13.2000110.2E84 I85 L90 T91 E92E84-D88 WeakPolarHBondContact O-CB 3.11Å; E84-D88 VanDerWaalsContact O-CG 3.31Å; E84-D88 PolarHBondContact O-N 3.23Å; I85-D88 PolarHBondContact O-N 2.64Å; D88-L90 PolarHBondContact O-N 3.31Å; D88-T91 WeakPolarHBondContact O-CB 3.46Å; D88-T91 PolarHBondContact O-N 2.01Å; D88-T91 VanDerWaalsContact O-N 3.14Å; D88-E92 WeakPolarHBondContact O-CG 3.17Å; D88-E92 PolarHBondContact O-N 2.8Å
89R87.2Confident75.1Confident108 Ų10876.9 Ų76.941%0.40840%0.404SS..Hα-helixtrans-64.2-41.4178.4-69.4-65.9-134155.622.7114.1E54 V58 I85 L86 K87 T91 E92 Q93E54-R89 HydrophobicContact CG-CG 4.2Å; E54-R89 WeakPolarHBondContact OE1-CG 3.39Å; E54-R89 IonicContact OE1-CZ 2.84Å; E54-R89 IonicContact OE1-NE 3.85Å; E54-R89 PolarHBondContact OE1-NE 2.87Å; E54-R89 IonicContact OE1-NH2 3.71Å; E54-R89 PolarHBondContact OE1-NH2 2.85Å; V58-R89 HydrophobicContact CG2-CB 4.08Å; I85-R89 VanDerWaalsContact O-CG 3.29Å; I85-R89 WeakPolarHBondContact O-CG 3.46Å; I85-R89 PolarHBondContact O-N 3.28Å; L86-R89 PolarHBondContact O-N 3.32Å; K87-R89 VanDerWaalsContact C-N 3.32Å; K87-R89 PolarHBondContact O-N 3.47Å; R89-T91 VanDerWaalsContact C-N 3.27Å; R89-T91 PolarHBondContact O-N 2.89Å; R89-E92 WeakPolarHBondContact CD-OE2 3.12Å; R89-E92 IonicContact NH1-OE2 3.1Å; R89-E92 PolarHBondContact O-N 3.09Å; R89-Q93 PolarHBondContact O-N 2.96Å; R89-Q93 VanDerWaalsContact O-N 3.07Å
90L87Confident75.3Confident5 Ų578.4 Ų78.43%0.02641%0.411CS..Hα-helixtrans-61.9-39173.7-75.8173.1000111.4V58 C61 V66 C69 I70 L73 L86 K87 D88 N94V58-L90 HydrophobicContact CB-CD2 4.35Å; V58-L90 HydrophobicContact CG1-CD2 4.3Å; V58-L90 HydrophobicContact CG2-CD2 4.1Å; V58-L90 HydrophobicContact CG2-CG 4.38Å; C61-L90 HydrophobicContact CB-CD2 3.58Å; V66-L90 HydrophobicContact CG1-CB 4.15Å; C69-L90 HydrophobicContact CB-CD1 4.06Å; I70-L90 HydrophobicContact CG1-CD1 4.18Å; L73-L90 HydrophobicContact CD1-CD1 3.53Å; L86-L90 WeakPolarHBondContact O-CB 3.47Å; L86-L90 VanDerWaalsContact O-CG 3.31Å; L86-L90 WeakPolarHBondContact O-CG 2.92Å; L86-L90 PolarHBondContact O-N 2.64Å; K87-L90 PolarHBondContact O-N 3.37Å; D88-L90 PolarHBondContact O-N 3.31Å; L90-N94 PolarHBondContact O-N 3.36Å
91T87.7Confident75.2Confident59 Ų5975.7 Ų75.736%0.36241%0.408SS..Hα-helixtrans-68.9-44.4178.1-53.40000111.1K87 D88 R89 Q93 N94 T95K87-T91 WeakPolarHBondContact O-CB 3.22Å; K87-T91 PolarHBondContact O-N 3.45Å; K87-T91 PolarHBondContact O-OG1 3.07Å; D88-T91 WeakPolarHBondContact O-CB 3.46Å; D88-T91 PolarHBondContact O-N 2.01Å; D88-T91 VanDerWaalsContact O-N 3.14Å; R89-T91 VanDerWaalsContact C-N 3.27Å; R89-T91 PolarHBondContact O-N 2.89Å; T91-Q93 PolarHBondContact O-N 3.47Å; T91-N94 PolarHBondContact O-N 3.38Å; T91-N94 VanDerWaalsContact O-N 3.17Å; T91-T95 PolarHBondContact O-N 3.46Å; T91-T95 PolarHBondContact O-OG1 2.87Å
92E85Confident75Confident97 Ų9774.9 Ų74.945%0.45340%0.4SS..Hα-helixtrans-60.4-40.3177.1-76178174.400112.9D88 R89 N94 T95 S96D88-E92 WeakPolarHBondContact O-CG 3.17Å; D88-E92 PolarHBondContact O-N 2.8Å; R89-E92 WeakPolarHBondContact CD-OE2 3.12Å; R89-E92 IonicContact NH1-OE2 3.1Å; R89-E92 PolarHBondContact O-N 3.09Å; E92-N94 VanDerWaalsContact C-N 3.3Å; E92-N94 PolarHBondContact O-N 3.33Å; E92-T95 WeakPolarHBondContact CA-OG1 3.46Å; E92-T95 PolarHBondContact O-OG1 2.61Å; E92-S96 VanDerWaalsContact O-CB 3.25Å; E92-S96 WeakPolarHBondContact O-CB 3.02Å; E92-S96 PolarHBondContact O-N 3.38Å; E92-S96 PolarHBondContact O-OG 3.44Å
93Q76.8Confident74.9Confident85 Ų8579.4 Ų79.440%0.39742%0.423SS..Hα-helixtrans-68.8-30.5176.7-77.4-1510.400112.9V58 R89 T91 K97V58-Q93 HydrophobicContact CG1-CG 3.93Å; V58-Q93 VanDerWaalsContact CG1-NE2 3.28Å; R89-Q93 PolarHBondContact O-N 2.96Å; R89-Q93 VanDerWaalsContact O-N 3.07Å; T91-Q93 PolarHBondContact O-N 3.47Å; Q93-K97 PolarHBondContact O-N 2.7Å
94N69.7Low74.4Confident84 Ų8483.6 Ų83.645%0.44945%0.447SS..Hα-helixtrans-74.5-44.5176.9-158.3-14.9000111.2V66 L90 T91 E92 S96 K97 G98V66-N94 HydrophobicContact CG2-CB 3.97Å; V66-N94 VanDerWaalsContact CG2-ND2 3.27Å; V66-N94 WeakPolarHBondContact CG2-ND2 2.97Å; L90-N94 PolarHBondContact O-N 3.36Å; T91-N94 PolarHBondContact O-N 3.38Å; T91-N94 VanDerWaalsContact O-N 3.17Å; E92-N94 VanDerWaalsContact C-N 3.3Å; E92-N94 PolarHBondContact O-N 3.33Å; N94-S96 VanDerWaalsContact C-N 3.29Å; N94-S96 PolarHBondContact O-N 3.23Å; N94-K97 PolarHBondContact O-N 2.02Å; N94-G98 PolarHBondContact O-N 3.11Å
95T62.4Low73.8Confident91 Ų9184.1 Ų84.156%0.55845%0.453SS*.Hα-helixtrans-64.5-35.6175.555.80000111.9T91 E92 K97 G98T91-T95 PolarHBondContact O-N 3.46Å; T91-T95 PolarHBondContact O-OG1 2.87Å; E92-T95 WeakPolarHBondContact CA-OG1 3.46Å; E92-T95 PolarHBondContact O-OG1 2.61Å; T95-K97 VanDerWaalsContact C-N 3.3Å; T95-K97 PolarHBondContact O-N 2.87Å; T95-G98 PolarHBondContact O-N 3.21Å; T95-G98 VanDerWaalsContact O-N 3.09Å
96S57.8Low73Confident86 Ų8685.9 Ų85.960%0.60146%0.463SS*.Hα-helixtrans-67.5-26.1176.4-60.60000113.8E92 N94 G98E92-S96 VanDerWaalsContact O-CB 3.25Å; E92-S96 WeakPolarHBondContact O-CB 3.02Å; E92-S96 PolarHBondContact O-N 3.38Å; E92-S96 PolarHBondContact O-OG 3.44Å; N94-S96 VanDerWaalsContact C-N 3.29Å; N94-S96 PolarHBondContact O-N 3.23Å; S96-G98 VanDerWaalsContact C-N 3.29Å
97K51.5Low72.1Confident161 Ų16192.5 Ų92.570%0.750%0.499SS*.THydrogen-bonded Turntrans-78.4-13.1172.7-83.5-178.3177.6175.30113.3Q93 N94 T95Q93-K97 PolarHBondContact O-N 2.7Å; N94-K97 PolarHBondContact O-N 2.02Å; T95-K97 VanDerWaalsContact C-N 3.3Å; T95-K97 PolarHBondContact O-N 2.87Å
98G49.5Very low70.6Confident64 Ų6494.8 Ų94.866%0.6652%0.517SS*.THydrogen-bonded Turntrans-87-4.4-178.600000115.6N94 T95 S96N94-G98 PolarHBondContact O-N 3.11Å; T95-G98 PolarHBondContact O-N 3.21Å; T95-G98 VanDerWaalsContact O-N 3.09Å; S96-G98 VanDerWaalsContact C-N 3.29Å
99N42.6Very low68.8Low210 Ų21095.5 Ų95.5100%1.12352%0.522SS*.  trans-107.20175.2-82.9-14.9000111.4

Retrieved 99 of 99 residues in 53.6 ms (Link to these results)