A0A3Q0KSS6_SCHMA Loading...

Hypotheticial protein

AlphaFold DB , UniProt , Accession A0A3Q0KSS6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 74 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
1M52.7Low60Low225 Ų225134.5 Ų134.5100%1.10866%0.655SS**  0-5.70-72.1-178.9172.500115
2S63Low59.5Low92 Ų92133.8 Ų133.864%0.64366%0.655SS**THydrogen-bonded Turntrans-76.9-28.8-172.1-173.90000115.9F4 L5S2-F4 VanDerWaalsContact C-N 3.3Å; S2-F4 PolarHBondContact O-N 3.41Å; S2-L5 PolarHBondContact O-N 3.22Å
3R56.4Low59.3Low227 Ų227132.2 Ų132.286%0.85765%0.649SS**Hα-helixtrans-67.9-21.8-175.1-70.9-174.5171.6-171.4-2.9115.1
4F62.2Low58.6Low158 Ų158128.9 Ų128.969%0.69363%0.634SS**Hα-helixtrans-73.2-30.2178.8-79.8-84.9000112.9S2 L6 F7 F8S2-F4 VanDerWaalsContact C-N 3.3Å; S2-F4 PolarHBondContact O-N 3.41Å; F4-L6 VanDerWaalsContact C-N 3.33Å; F4-L6 PolarHBondContact O-N 2.96Å; F4-F7 PolarHBondContact O-N 3.41Å; F4-F8 WeakPolarHBondContact O-CD2 3.42Å; F4-F8 PolarHBondContact O-N 2.5Å
5L60.6Low58.2Low125 Ų125123.8 Ų123.865%0.65462%0.621SS**Hα-helixtrans-65.3-35.6-179.1-76.2164.6000112.6S2 F7 F8 T9S2-L5 PolarHBondContact O-N 3.22Å; L5-F7 VanDerWaalsContact C-N 3.27Å; L5-F7 PolarHBondContact O-N 3.24Å; L5-F8 PolarHBondContact O-N 2.9Å; L5-T9 PolarHBondContact O-N 3.11Å; L5-T9 PolarHBondContact O-OG1 3.35Å
6L61.2Low57.4Low119 Ų119120.6 Ų120.662%0.62361%0.611SS**Hα-helixtrans-68.8-26.5177.9-68.5173.6000112.8F4 T9 I10F4-L6 VanDerWaalsContact C-N 3.33Å; F4-L6 PolarHBondContact O-N 2.96Å; L6-T9 PolarHBondContact O-OG1 3.48Å; L6-I10 WeakPolarHBondContact O-CG1 3.48Å
7F65.1Low56.8Low140 Ų140122.4 Ų122.461%0.61461%0.614SS**Hα-helixtrans-75.9-37.5179.7-152.3-93.4000111.5F4 L5 I10 L11F4-F7 PolarHBondContact O-N 3.41Å; L5-F7 VanDerWaalsContact C-N 3.27Å; L5-F7 PolarHBondContact O-N 3.24Å; F7-I10 PolarHBondContact O-N 3.44Å; F7-L11 HydrophobicContact CD1-CD1 3.78Å; F7-L11 HydrophobicContact CD1-CG 4.41Å; F7-L11 HydrophobicContact CE1-CD1 3.95Å; F7-L11 HydrophobicContact CE1-CG 4.41Å; F7-L11 PolarHBondContact O-N 2.86Å; F7-L11 VanDerWaalsContact O-N 3.16Å
8F59.2Low56.1Low132 Ų132123.2 Ų123.258%0.57962%0.615SS**Hα-helixtrans-67.7-36.6176.9-81.8-73.9000113F4 L5 I10 L11 L12F4-F8 WeakPolarHBondContact O-CD2 3.42Å; F4-F8 PolarHBondContact O-N 2.5Å; L5-F8 PolarHBondContact O-N 2.9Å; F8-I10 VanDerWaalsContact C-N 3.32Å; F8-I10 PolarHBondContact O-N 3.46Å; F8-L11 PolarHBondContact O-N 3.11Å; F8-L12 PolarHBondContact O-N 3.4Å
9T63.6Low55.6Low76 Ų76124.7 Ų124.747%0.46662%0.62SS.*Hα-helixtrans-64.8-36.1176.346.80000112.2L5 L6 I13L5-T9 PolarHBondContact O-N 3.11Å; L5-T9 PolarHBondContact O-OG1 3.35Å; L6-T9 PolarHBondContact O-OG1 3.48Å; T9-I13 WeakPolarHBondContact O-CG1 3.48Å; T9-I13 PolarHBondContact O-N 3.31Å
10I59.9Low55.3Low98 Ų98125.3 Ų125.350%0.50363%0.625SS.*Hα-helixtrans-68.9-42.8175.7-62.4169.2000110.9L6 F7 F8 L12 I13 I14L6-I10 WeakPolarHBondContact O-CG1 3.48Å; F7-I10 PolarHBondContact O-N 3.44Å; F8-I10 VanDerWaalsContact C-N 3.32Å; F8-I10 PolarHBondContact O-N 3.46Å; I10-L12 VanDerWaalsContact C-N 3.31Å; I10-L12 PolarHBondContact O-N 3.03Å; I10-I13 PolarHBondContact O-N 3.08Å; I10-I13 VanDerWaalsContact O-N 3.14Å; I10-I14 HydrophobicContact CG2-CD1 4.15Å; I10-I14 WeakPolarHBondContact O-CG1 3.45Å; I10-I14 PolarHBondContact O-N 3.34Å
11L56.4Low54.8Low88 Ų88122.6 Ų122.646%0.46162%0.615SS.*Hα-helixtrans-61.2-38.4177.2-80.9164.8000112.7F7 F8 I13 I14 A15F7-L11 HydrophobicContact CD1-CD1 3.78Å; F7-L11 HydrophobicContact CD1-CG 4.41Å; F7-L11 HydrophobicContact CE1-CD1 3.95Å; F7-L11 HydrophobicContact CE1-CG 4.41Å; F7-L11 PolarHBondContact O-N 2.86Å; F7-L11 VanDerWaalsContact O-N 3.16Å; F8-L11 PolarHBondContact O-N 3.11Å; L11-I13 PolarHBondContact O-N 3.37Å; L11-I14 PolarHBondContact O-N 3.16Å; L11-I14 VanDerWaalsContact O-N 3.11Å; L11-A15 PolarHBondContact O-N 3.14Å; L11-A15 VanDerWaalsContact O-N 3.1Å
12L53.8Low54.5Low126 Ų126118.7 Ų118.766%0.6660%0.599SS**Hα-helixtrans-62.7-27.5176.1-88.2155.8000113.3F8 I10 P16F8-L12 PolarHBondContact O-N 3.4Å; I10-L12 VanDerWaalsContact C-N 3.31Å; I10-L12 PolarHBondContact O-N 3.03Å; L12-P16 WeakPolarHBondContact O-CD 3.47Å
13I56.5Low53.7Low113 Ų113116.7 Ų116.758%0.57959%0.585SS**Hα-helixtrans-79.1-27.1176.2-61.3163.4000111.3T9 I10 L11 P16T9-I13 WeakPolarHBondContact O-CG1 3.48Å; T9-I13 PolarHBondContact O-N 3.31Å; I10-I13 PolarHBondContact O-N 3.08Å; I10-I13 VanDerWaalsContact O-N 3.14Å; L11-I13 PolarHBondContact O-N 3.37Å; I13-P16 WeakPolarHBondContact O-CD 3.5Å; I13-P16 WeakPolarHBondContact O-CG 3.39Å
14I49.9Very low53.3Low86 Ų86115.3 Ų115.344%0.44158%0.58SS.*Hα-helixtrans-83.1-35.6-178.3-59.4167.9000111.6I10 L11 K17 Q18I10-I14 HydrophobicContact CG2-CD1 4.15Å; I10-I14 WeakPolarHBondContact O-CG1 3.45Å; I10-I14 PolarHBondContact O-N 3.34Å; L11-I14 PolarHBondContact O-N 3.16Å; L11-I14 VanDerWaalsContact O-N 3.11Å; I14-K17 WeakPolarHBondContact O-CB 3.4Å; I14-K17 PolarHBondContact O-N 3.46Å; I14-Q18 PolarHBondContact O-N 3.4Å
15A52.6Low52.6Low52 Ų52118.3 Ų118.343%0.4359%0.588SS.*Hα-helixtrans-51.8-47.2179.200000114.6L11 K17 Q18 Q19L11-A15 PolarHBondContact O-N 3.14Å; L11-A15 VanDerWaalsContact O-N 3.1Å; A15-K17 VanDerWaalsContact C-N 3.27Å; A15-K17 PolarHBondContact O-N 3.45Å; A15-Q18 PolarHBondContact O-N 3.36Å; A15-Q19 PolarHBondContact O-N 3.46Å
16P45.5Very low52.1Low72 Ų72115.6 Ų115.647%0.46857%0.574SS.*Hα-helixtrans-69.1-23.4179.325.9-34.2000113.1L12 I13 Q19 L20L12-P16 WeakPolarHBondContact O-CD 3.47Å; I13-P16 WeakPolarHBondContact O-CD 3.5Å; I13-P16 WeakPolarHBondContact O-CG 3.39Å; P16-Q19 PolarHBondContact O-N 3.46Å; P16-L20 PolarHBondContact O-N 3.34Å
17K47.3Very low51.9Low151 Ų151114.7 Ų114.766%0.65757%0.569SS**Hα-helixtrans-70-35.3175.9-64.8-155.9-179.3-170.30112.1I14 A15 L20 V21I14-K17 WeakPolarHBondContact O-CB 3.4Å; I14-K17 PolarHBondContact O-N 3.46Å; A15-K17 VanDerWaalsContact C-N 3.27Å; A15-K17 PolarHBondContact O-N 3.45Å; K17-L20 WeakPolarHBondContact O-CB 3.32Å; K17-L20 PolarHBondContact O-N 3.19Å; K17-V21 WeakPolarHBondContact O-CG2 3.47Å; K17-V21 PolarHBondContact O-N 2.89Å; K17-V21 VanDerWaalsContact O-N 3.14Å
18Q44.1Very low51.7Low137 Ų137114.1 Ų114.164%0.6457%0.573SS**Hα-helixtrans-71.7-33.6176.1-82-177.3-9.200112.8I14 A15 L20 V21 N22I14-Q18 PolarHBondContact O-N 3.4Å; A15-Q18 PolarHBondContact O-N 3.36Å; Q18-L20 VanDerWaalsContact C-N 3.26Å; Q18-L20 PolarHBondContact O-N 2.92Å; Q18-V21 PolarHBondContact O-N 3.25Å; Q18-N22 PolarHBondContact O-N 3.3Å
19Q47Very low52Low152 Ų152112.2 Ų112.271%0.7157%0.572SS**Hα-helixtrans-64.1-32.9170.6-77.5-176.1-87.100111.8A15 P16 S23A15-Q19 PolarHBondContact O-N 3.46Å; P16-Q19 PolarHBondContact O-N 3.46Å; Q19-S23 WeakPolarHBondContact O-CB 3.41Å; Q19-S23 PolarHBondContact O-N 3.42Å
20L48.6Very low52.2Low136 Ų136112.2 Ų112.271%0.71257%0.569SS**Hα-helixtrans-67.7-36.1173.4-142.176.8000112.5P16 K17 Q18 S23P16-L20 PolarHBondContact O-N 3.34Å; K17-L20 WeakPolarHBondContact O-CB 3.32Å; K17-L20 PolarHBondContact O-N 3.19Å; Q18-L20 VanDerWaalsContact C-N 3.26Å; Q18-L20 PolarHBondContact O-N 2.92Å; L20-S23 CarbonylContact O-C 3.58Å; L20-S23 PolarHBondContact O-N 3.39Å
21V46.3Very low52.8Low70 Ų70111.4 Ų111.442%0.42457%0.565SS.*Hα-helixtrans-76.6-36.7178.7-179.70000112.1K17 Q18 S23 R24K17-V21 WeakPolarHBondContact O-CG2 3.47Å; K17-V21 PolarHBondContact O-N 2.89Å; K17-V21 VanDerWaalsContact O-N 3.14Å; Q18-V21 PolarHBondContact O-N 3.25Å; V21-S23 VanDerWaalsContact C-N 3.26Å; V21-R24 VanDerWaalsContact O-CB 3.26Å; V21-R24 WeakPolarHBondContact O-CB 3.39Å; V21-R24 WeakPolarHBondContact O-CG 3.41Å; V21-R24 PolarHBondContact O-N 3.26Å; V21-R24 VanDerWaalsContact O-N 3.08Å
22N45.6Very low53.5Low142 Ų142115.5 Ų115.576%0.75957%0.574SS**Hα-helixtrans-71.6-22.1170.3-90.69.1000112.3Q18 R24Q18-N22 PolarHBondContact O-N 3.3Å; N22-R24 PolarHBondContact O-N 3.12Å
23S46.9Very low54.6Low51 Ų51111.8 Ų111.836%0.35756%0.559SS.*G310 helixtrans-76.99.2166.3-151.40000112.9Q19 L20 V21 Y25 I26Q19-S23 WeakPolarHBondContact O-CB 3.41Å; Q19-S23 PolarHBondContact O-N 3.42Å; L20-S23 CarbonylContact O-C 3.58Å; L20-S23 PolarHBondContact O-N 3.39Å; V21-S23 VanDerWaalsContact C-N 3.26Å; S23-Y25 PolarHBondContact O-N 3.44Å; S23-Y25 VanDerWaalsContact O-N 3.13Å; S23-I26 WeakPolarHBondContact O-CD1 3.41Å; S23-I26 WeakPolarHBondContact O-CG1 3.17Å; S23-I26 PolarHBondContact O-N 2.96Å; S23-I26 WeakPolarHBondContact OG-CG1 3.45Å
24R46.7Very low55.6Low197 Ų197107.2 Ų107.274%0.74354%0.536SS*.G310 helixtrans-63.2-9.1161.8-79.1-165.7-85.1-170.3-6.7113V21 N22 I26V21-R24 VanDerWaalsContact O-CB 3.26Å; V21-R24 WeakPolarHBondContact O-CB 3.39Å; V21-R24 WeakPolarHBondContact O-CG 3.41Å; V21-R24 PolarHBondContact O-N 3.26Å; V21-R24 VanDerWaalsContact O-N 3.08Å; N22-R24 PolarHBondContact O-N 3.12Å; R24-I26 VanDerWaalsContact C-N 3.28Å
25Y47.1Very low57Low221 Ų221107.2 Ų107.287%0.86754%0.536SS*.G310 helixtrans-89.424.4161.3-102.7-84.6000113.1S23 D27S23-Y25 PolarHBondContact O-N 3.44Å; S23-Y25 VanDerWaalsContact O-N 3.13Å; Y25-D27 PolarHBondContact O-N 3.18Å
26I51.7Low58.2Low69 Ų69108.7 Ų108.735%0.35454%0.537SS..SBendtrans-57.2105.5150.5-66154.5000103.3S23 R24 N28 L30 L31S23-I26 WeakPolarHBondContact O-CD1 3.41Å; S23-I26 WeakPolarHBondContact O-CG1 3.17Å; S23-I26 PolarHBondContact O-N 2.96Å; S23-I26 WeakPolarHBondContact OG-CG1 3.45Å; R24-I26 VanDerWaalsContact C-N 3.28Å; I26-N28 PolarHBondContact O-N 2.04Å; I26-L30 HydrophobicContact CG2-CB 4.27Å; I26-L31 HydrophobicContact CG2-CB 3.65Å
27D55Low59.9Low99 Ų99105.9 Ų105.953%0.52952%0.519SS..  trans-40.1116.9175.2-153-39.7000106.5Y25 T29 L30 L31Y25-D27 PolarHBondContact O-N 3.18Å; D27-T29 WeakPolarHBondContact CB-OG1 3.03Å; D27-T29 CarbonylContact O-C 3.53Å; D27-T29 PolarHBondContact O-N 2.65Å; D27-T29 PolarHBondContact OD1-OG1 3.12Å; D27-L30 HydrophobicContact CB-CB 4.13Å; D27-L30 WeakPolarHBondContact O-CA 3.46Å; D27-L30 WeakPolarHBondContact O-CB 3.01Å; D27-L30 PolarHBondContact O-N 3.15Å; D27-L31 PolarHBondContact O-N 3.14Å; D27-L31 VanDerWaalsContact O-N 3.11Å
28N61.1Low61.5Low128 Ų128100.9 Ų100.968%0.68450%0.496SS*.Hα-helixtrans-53.5-25.2-175.4-77.6-39.5000110.1I26 R32I26-N28 PolarHBondContact O-N 2.04Å; N28-R32 WeakPolarHBondContact O-CB 3.21Å; N28-R32 PolarHBondContact O-N 3.11Å
29T67.1Low63.1Low92 Ų9297.3 Ų97.356%0.56448%0.484SS*.Hα-helixtrans-62.2-46.6170.862.20000113.2D27 R32 S33D27-T29 WeakPolarHBondContact CB-OG1 3.03Å; D27-T29 CarbonylContact O-C 3.53Å; D27-T29 PolarHBondContact O-N 2.65Å; D27-T29 PolarHBondContact OD1-OG1 3.12Å; T29-R32 PolarHBondContact O-N 3.36Å; T29-S33 VanDerWaalsContact O-CB 3.24Å; T29-S33 WeakPolarHBondContact O-CB 3.15Å; T29-S33 PolarHBondContact O-N 3.45Å
30L68Low64.7Low76 Ų7693.8 Ų93.840%0.39847%0.47SS..Hα-helixtrans-66.9-49.5179.1-167.168.7000111.2I26 D27 R32 S33 V34I26-L30 HydrophobicContact CG2-CB 4.27Å; D27-L30 HydrophobicContact CB-CB 4.13Å; D27-L30 WeakPolarHBondContact O-CA 3.46Å; D27-L30 WeakPolarHBondContact O-CB 3.01Å; D27-L30 PolarHBondContact O-N 3.15Å; L30-R32 VanDerWaalsContact C-N 3.28Å; L30-R32 PolarHBondContact O-N 2.83Å; L30-S33 PolarHBondContact O-N 2.99Å; L30-V34 WeakPolarHBondContact O-CG2 3.27Å; L30-V34 PolarHBondContact O-N 3.21Å
31L72.3Confident66.3Low81 Ų8188 Ų8842%0.42444%0.441SS..Hα-helixtrans-60.2-44177.9-174.558.6000110.4I26 D27 V34 L35I26-L31 HydrophobicContact CG2-CB 3.65Å; D27-L31 PolarHBondContact O-N 3.14Å; D27-L31 VanDerWaalsContact O-N 3.11Å; L31-V34 PolarHBondContact O-N 3.32Å; L31-L35 WeakPolarHBondContact O-CB 3.27Å; L31-L35 PolarHBondContact O-N 3.08Å
32R71.4Confident67.8Low175 Ų17586.9 Ų86.966%0.6643%0.432SS*.Hα-helixtrans-65.1-39.6177.9-173174.5-173.4-171.60.5112.3N28 T29 L30 L35 N36N28-R32 WeakPolarHBondContact O-CB 3.21Å; N28-R32 PolarHBondContact O-N 3.11Å; T29-R32 PolarHBondContact O-N 3.36Å; L30-R32 VanDerWaalsContact C-N 3.28Å; L30-R32 PolarHBondContact O-N 2.83Å; R32-L35 PolarHBondContact O-N 3.45Å; R32-N36 WeakPolarHBondContact O-CB 3.21Å; R32-N36 PolarHBondContact O-N 3.31Å; R32-N36 PolarHBondContact O-OD1 3.01Å
33S76.7Confident69.3Low48 Ų4886.4 Ų86.434%0.33643%0.429SS..Hα-helixtrans-63.9-46.1176.6172.60000111.6T29 L30 N36 C37T29-S33 VanDerWaalsContact O-CB 3.24Å; T29-S33 WeakPolarHBondContact O-CB 3.15Å; T29-S33 PolarHBondContact O-N 3.45Å; L30-S33 PolarHBondContact O-N 2.99Å; S33-N36 PolarHBondContact O-N 3.45Å; S33-C37 PolarHBondContact O-N 2.86Å
34V76.8Confident70.6Confident16 Ų1691.2 Ų91.210%0.09745%0.451CS..Hα-helixtrans-66.3-40.2177.51740000111L30 L31 C37 Y38 C59 F60L30-V34 WeakPolarHBondContact O-CG2 3.27Å; L30-V34 PolarHBondContact O-N 3.21Å; L31-V34 PolarHBondContact O-N 3.32Å; V34-C37 WeakPolarHBondContact O-CB 3.42Å; V34-C37 PolarHBondContact O-N 3.2Å; V34-Y38 WeakPolarHBondContact O-CB 3.44Å; V34-Y38 PolarHBondContact O-N 3.49Å; V34-C59 HydrophobicContact CG1-CB 4.14Å; V34-C59 WeakPolarHBondContact CG1-O 3.26Å; V34-F60 HydrophobicContact CG1-CB 4.44Å; V34-F60 HydrophobicContact CG1-CD1 3.51Å; V34-F60 HydrophobicContact CG1-CD2 3.73Å; V34-F60 HydrophobicContact CG1-CE1 3.52Å; V34-F60 HydrophobicContact CG1-CE2 3.76Å; V34-F60 HydrophobicContact CG1-CG 3.62Å; V34-F60 HydrophobicContact CG1-CZ 3.65Å
35L79.6Confident71.8Confident86 Ų8683.3 Ų83.345%0.4543%0.426SS..Hα-helixtrans-65.9-42.4177.2-173.663.8000112L31 R32 Y38 V39L31-L35 WeakPolarHBondContact O-CB 3.27Å; L31-L35 PolarHBondContact O-N 3.08Å; R32-L35 PolarHBondContact O-N 3.45Å; L35-Y38 PolarHBondContact O-N 3.33Å; L35-V39 WeakPolarHBondContact O-CG2 3.33Å; L35-V39 PolarHBondContact O-N 3.4Å
36N78.3Confident72.9Confident83 Ų8378.2 Ų78.244%0.44442%0.418SS..Hα-helixtrans-60-46.3174.5-74.4-3.4000110.8R32 S33 Y38 V39 D40R32-N36 WeakPolarHBondContact O-CB 3.21Å; R32-N36 PolarHBondContact O-N 3.31Å; R32-N36 PolarHBondContact O-OD1 3.01Å; S33-N36 PolarHBondContact O-N 3.45Å; N36-Y38 VanDerWaalsContact C-N 3.27Å; N36-Y38 PolarHBondContact O-N 2.78Å; N36-V39 PolarHBondContact O-N 3.41Å; N36-D40 WeakPolarHBondContact O-CB 2.96Å; N36-D40 VanDerWaalsContact O-CG 3.26Å; N36-D40 PolarHBondContact O-N 3.4Å
37C80.3Confident73.3Confident14 Ų1481.5 Ų81.510%0.09544%0.436CS..Hα-helixtrans-54.8-45.4174172.20000111.6S33 V34 D40 C41 C59 F70S33-C37 PolarHBondContact O-N 2.86Å; V34-C37 WeakPolarHBondContact O-CB 3.42Å; V34-C37 PolarHBondContact O-N 3.2Å; C37-D40 PolarHBondContact O-N 3.49Å; C37-C41 VanDerWaalsContact O-CB 3.23Å; C37-C41 WeakPolarHBondContact O-CB 3.38Å; C37-C41 PolarHBondContact O-N 3.29Å; C37-C59 HydrophobicContact CB-CB 3.77Å; C37-C59 WeakPolarHBondContact CB-SG 3.19Å; C37-C59 PolarHBondContact O-SG 2.93Å; C37-C59 VanDerWaalsContact O-SG 3.4Å; C37-C59 WeakPolarHBondContact SG-CB 3.28Å; C37-C59 CovalentContact SG-SG 2.06Å; C37-C59 PolarHBondContact SG-SG 3.01Å; C37-F70 HydrophobicContact CB-CE2 4.4Å; C37-F70 HydrophobicContact CB-CZ 4.44Å
38Y80Confident73.8Confident45 Ų4581.4 Ų81.418%0.17644%0.435CS..Hα-helixtrans-66.8-42-177.5176.2-98.8000112.1V34 L35 N36 C41 L42 N52 C55 F56 C59 F60V34-Y38 WeakPolarHBondContact O-CB 3.44Å; V34-Y38 PolarHBondContact O-N 3.49Å; L35-Y38 PolarHBondContact O-N 3.33Å; N36-Y38 VanDerWaalsContact C-N 3.27Å; N36-Y38 PolarHBondContact O-N 2.78Å; Y38-C41 PolarHBondContact O-N 3.4Å; Y38-L42 HydrophobicContact CD1-CD1 3.97Å; Y38-L42 HydrophobicContact CE1-CD1 3.35Å; Y38-L42 HydrophobicContact CE1-CG 4.23Å; Y38-L42 HydrophobicContact CE2-CD1 4.36Å; Y38-L42 HydrophobicContact CE2-CG 4.49Å; Y38-L42 WeakPolarHBondContact O-CG 3.4Å; Y38-L42 PolarHBondContact O-N 3.05Å; Y38-N52 WeakPolarHBondContact CE2-OD1 3.03Å; Y38-N52 VanDerWaalsContact OH-CG 3.29Å; Y38-N52 PolarHBondContact OH-OD1 3.14Å; Y38-C55 HydrophobicContact CD2-CB 3.72Å; Y38-C55 HydrophobicContact CE2-CB 3.9Å; Y38-F56 HydrophobicContact CE2-CB 4.26Å; Y38-C59 PolarHBondContact N-SG 3.18Å; Y38-F60 HydrophobicContact CD2-CE2 4.18Å; Y38-F60 HydrophobicContact CG-CE2 4.2Å
39V79.3Confident74Confident63 Ų6382.5 Ų82.538%0.38244%0.44SS..Hα-helixtrans-67-44.7176.3173.10000111.4L35 N36 C41 L42 L43L35-V39 WeakPolarHBondContact O-CG2 3.33Å; L35-V39 PolarHBondContact O-N 3.4Å; N36-V39 PolarHBondContact O-N 3.41Å; V39-C41 VanDerWaalsContact C-N 3.27Å; V39-C41 PolarHBondContact O-N 3.42Å; V39-L42 PolarHBondContact O-N 3.28Å; V39-L43 HydrophobicContact CG1-CD1 3.96Å; V39-L43 HydrophobicContact CG1-CG 4.33Å; V39-L43 WeakPolarHBondContact O-CB 3.43Å; V39-L43 VanDerWaalsContact O-CG 3.32Å; V39-L43 WeakPolarHBondContact O-CG 3.34Å; V39-L43 PolarHBondContact O-N 3.22Å
40D80.6Confident74Confident78 Ų7885.6 Ų85.642%0.41745%0.448SS..Hα-helixtrans-61.5-38176.4-70.9-20000111.6N36 C37 N44N36-D40 WeakPolarHBondContact O-CB 2.96Å; N36-D40 VanDerWaalsContact O-CG 3.26Å; N36-D40 PolarHBondContact O-N 3.4Å; C37-D40 PolarHBondContact O-N 3.49Å; D40-N44 WeakPolarHBondContact O-CB 3.43Å; D40-N44 PolarHBondContact O-N 3.24Å; D40-N44 VanDerWaalsContact O-N 3.12Å; D40-N44 PolarHBondContact O-ND2 2.84Å
41C80.5Confident74Confident14 Ų1483 Ų8310%0.09543%0.434CS..Hα-helixtrans-65.1-47.7175.3-1790000111.2C37 Y38 V39 L43 N44 S45 C55C37-C41 VanDerWaalsContact O-CB 3.23Å; C37-C41 WeakPolarHBondContact O-CB 3.38Å; C37-C41 PolarHBondContact O-N 3.29Å; Y38-C41 PolarHBondContact O-N 3.4Å; V39-C41 VanDerWaalsContact C-N 3.27Å; V39-C41 PolarHBondContact O-N 3.42Å; C41-L43 VanDerWaalsContact C-N 3.35Å; C41-L43 PolarHBondContact O-N 2.82Å; C41-N44 PolarHBondContact O-N 3.44Å; C41-S45 WeakPolarHBondContact O-CB 3.41Å; C41-S45 PolarHBondContact O-N 3.31Å; C41-S45 VanDerWaalsContact O-N 3.15Å; C41-C55 HydrophobicContact CB-CB 3.65Å; C41-C55 WeakPolarHBondContact CB-SG 3.34Å; C41-C55 WeakPolarHBondContact SG-CA 3.45Å; C41-C55 WeakPolarHBondContact SG-CB 3.43Å; C41-C55 CovalentContact SG-SG 2.04Å; C41-C55 PolarHBondContact SG-SG 2.06Å
42L78Confident74.1Confident47 Ų4782.3 Ų82.325%0.24643%0.431CS..Hα-helixtrans-61.2-41.5176.4-77.8177.5000112.6Y38 V39 N44 S45Y38-L42 HydrophobicContact CD1-CD1 3.97Å; Y38-L42 HydrophobicContact CE1-CD1 3.35Å; Y38-L42 HydrophobicContact CE1-CG 4.23Å; Y38-L42 HydrophobicContact CE2-CD1 4.36Å; Y38-L42 HydrophobicContact CE2-CG 4.49Å; Y38-L42 WeakPolarHBondContact O-CG 3.4Å; Y38-L42 PolarHBondContact O-N 3.05Å; V39-L42 PolarHBondContact O-N 3.28Å; L42-N44 VanDerWaalsContact C-N 3.29Å; L42-N44 PolarHBondContact O-N 3.34Å; L42-S45 PolarHBondContact O-N 3.1Å
43L77Confident74.4Confident132 Ų13279 Ų7969%0.69143%0.426SS*.Hα-helixtrans-64.7-33.2178.5-74.7172.7000112.9V39 C41 S45V39-L43 HydrophobicContact CG1-CD1 3.96Å; V39-L43 HydrophobicContact CG1-CG 4.33Å; V39-L43 WeakPolarHBondContact O-CB 3.43Å; V39-L43 VanDerWaalsContact O-CG 3.32Å; V39-L43 WeakPolarHBondContact O-CG 3.34Å; V39-L43 PolarHBondContact O-N 3.22Å; C41-L43 VanDerWaalsContact C-N 3.35Å; C41-L43 PolarHBondContact O-N 2.82Å; L43-S45 VanDerWaalsContact C-N 3.32Å
44N75.6Confident74.6Confident151 Ų15183.3 Ų83.381%0.80744%0.436SS*.Hα-helixtrans-84.6-5.3177-77.8-24.4000113.6D40 C41 L42D40-N44 WeakPolarHBondContact O-CB 3.43Å; D40-N44 PolarHBondContact O-N 3.24Å; D40-N44 VanDerWaalsContact O-N 3.12Å; D40-N44 PolarHBondContact O-ND2 2.84Å; C41-N44 PolarHBondContact O-N 3.44Å; L42-N44 VanDerWaalsContact C-N 3.29Å; L42-N44 PolarHBondContact O-N 3.34Å
45S71.2Confident74.6Confident32 Ų3282.5 Ų82.522%0.22443%0.432CS..SBendtrans-99163.3-176.3-145.40000112.9C41 L42 L43 N47 D51C41-S45 WeakPolarHBondContact O-CB 3.41Å; C41-S45 PolarHBondContact O-N 3.31Å; C41-S45 VanDerWaalsContact O-N 3.15Å; L42-S45 PolarHBondContact O-N 3.1Å; L43-S45 VanDerWaalsContact C-N 3.32Å; S45-N47 PolarHBondContact O-N 3.38Å; S45-N47 VanDerWaalsContact O-N 3.12Å; S45-D51 WeakPolarHBondContact CB-OD2 3.23Å; S45-D51 WeakPolarHBondContact OG-CB 3.12Å; S45-D51 PolarHBondContact OG-OD1 2.96Å; S45-D51 PolarHBondContact OG-OD2 2.97Å
46T69.6Low74.5Confident113 Ų11382.7 Ų82.769%0.69343%0.429SS*.  trans-76.410.4-176.345.10000114.6D48 D51T46-D48 PolarHBondContact OG1-OD2 2.88Å; T46-D51 PolarHBondContact N-OD2 3.03Å; T46-D51 VanDerWaalsContact N-OD2 3.14Å
47N61.4Low74.5Confident139 Ų13982.4 Ų82.474%0.74343%0.427SS*.  trans65.131.1-177.3-67.2-54.5000114.5S45 D51S45-N47 PolarHBondContact O-N 3.38Å; S45-N47 VanDerWaalsContact O-N 3.12Å; N47-D51 PolarHBondContact N-OD2 3.44Å; N47-D51 VanDerWaalsContact N-OD2 3.11Å
48D65.7Low74.2Confident96 Ų9683.2 Ų83.251%0.51343%0.43SS..  trans-83.7148.7172.1-77.7-54.6000111.4T46 Q50 D51T46-D48 PolarHBondContact OG1-OD2 2.88Å; D48-Q50 PolarHBondContact O-N 3.44Å; D48-Q50 VanDerWaalsContact O-N 3.08Å; D48-D51 PolarHBondContact N-OD2 2.91Å; D48-D51 WeakPolarHBondContact O-CA 3.1Å; D48-D51 WeakPolarHBondContact O-CB 3.32Å; D48-D51 PolarHBondContact O-N 3.43Å
49I64.8Low74Confident151 Ų15181.2 Ų81.277%0.77442%0.423SS*.Hα-helixtrans-56.7-28174.9-64.3172.2000111D51 N52I49-D51 VanDerWaalsContact C-N 3.27Å; I49-D51 PolarHBondContact O-N 3.49Å; I49-N52 PolarHBondContact O-N 3.33Å
50Q66Low73.8Confident157 Ų15782.2 Ų82.273%0.73442%0.422SS*.Hα-helixtrans-65-32.1174.7-65-171-9.700112.5D48 N52 N53 Y54D48-Q50 PolarHBondContact O-N 3.44Å; D48-Q50 VanDerWaalsContact O-N 3.08Å; Q50-N52 VanDerWaalsContact C-N 3.31Å; Q50-N52 PolarHBondContact O-N 2.74Å; Q50-N53 PolarHBondContact O-N 3.41Å; Q50-Y54 PolarHBondContact O-N 2.94Å
51D68.4Low73.1Confident22 Ų2283.6 Ų83.612%0.11843%0.428CS..Hα-helixtrans-67.4-36.3-179.1-57.2-16.8000111S45 T46 N47 D48 I49 N53 Y54 C55S45-D51 WeakPolarHBondContact CB-OD2 3.23Å; S45-D51 WeakPolarHBondContact OG-CB 3.12Å; S45-D51 PolarHBondContact OG-OD1 2.96Å; S45-D51 PolarHBondContact OG-OD2 2.97Å; T46-D51 PolarHBondContact N-OD2 3.03Å; T46-D51 VanDerWaalsContact N-OD2 3.14Å; N47-D51 PolarHBondContact N-OD2 3.44Å; N47-D51 VanDerWaalsContact N-OD2 3.11Å; D48-D51 PolarHBondContact N-OD2 2.91Å; D48-D51 WeakPolarHBondContact O-CA 3.1Å; D48-D51 WeakPolarHBondContact O-CB 3.32Å; D48-D51 PolarHBondContact O-N 3.43Å; I49-D51 VanDerWaalsContact C-N 3.27Å; I49-D51 PolarHBondContact O-N 3.49Å; D51-N53 PolarHBondContact O-N 3.5Å; D51-Y54 PolarHBondContact O-N 2.97Å; D51-C55 VanDerWaalsContact O-CB 3.27Å; D51-C55 WeakPolarHBondContact O-CB 3.15Å; D51-C55 PolarHBondContact O-N 2.89Å; D51-C55 PolarHBondContact O-SG 3.4Å
52N75.1Confident72.3Confident67 Ų6786.2 Ų86.236%0.35844%0.444SS..Hα-helixtrans-60.2-49.5176.1-176.77.2000111.3Y38 I49 Q50 Y54 C55 F56Y38-N52 WeakPolarHBondContact CE2-OD1 3.03Å; Y38-N52 VanDerWaalsContact OH-CG 3.29Å; Y38-N52 PolarHBondContact OH-OD1 3.14Å; I49-N52 PolarHBondContact O-N 3.33Å; Q50-N52 VanDerWaalsContact C-N 3.31Å; Q50-N52 PolarHBondContact O-N 2.74Å; N52-Y54 VanDerWaalsContact C-N 3.32Å; N52-Y54 PolarHBondContact O-N 3.28Å; N52-C55 PolarHBondContact O-N 3.11Å; N52-F56 VanDerWaalsContact O-CB 3.27Å; N52-F56 WeakPolarHBondContact O-CB 3.26Å; N52-F56 PolarHBondContact O-N 3.38Å
53N78.7Confident71.1Confident105 Ų10585.4 Ų85.456%0.56144%0.441SS*.Hα-helixtrans-64.8-38.4178.5-77.9-15.7000111.8Q50 D51 N57Q50-N53 PolarHBondContact O-N 3.41Å; D51-N53 PolarHBondContact O-N 3.5Å; N53-N57 WeakPolarHBondContact O-CB 3.39Å; N53-N57 PolarHBondContact O-N 2.84Å; N53-N57 PolarHBondContact O-ND2 3.44Å
54Y79.9Confident69.7Low138 Ų13885.3 Ų85.354%0.54144%0.442SS..Hα-helixtrans-61.5-53.9174.2175-99.3000111.4Q50 D51 N52 F56 N57 E58Q50-Y54 PolarHBondContact O-N 2.94Å; D51-Y54 PolarHBondContact O-N 2.97Å; N52-Y54 VanDerWaalsContact C-N 3.32Å; N52-Y54 PolarHBondContact O-N 3.28Å; Y54-F56 VanDerWaalsContact C-N 3.3Å; Y54-F56 PolarHBondContact O-N 2.81Å; Y54-N57 PolarHBondContact O-N 2.76Å; Y54-E58 WeakPolarHBondContact O-CB 3.38Å; Y54-E58 PolarHBondContact O-N 3.48Å
55C77.1Confident68.4Low0 Ų086.6 Ų86.60%044%0.442CS..Hα-helixtrans-62.3-37.2-180-65.60000112.1Y38 C41 D51 N52 C59Y38-C55 HydrophobicContact CD2-CB 3.72Å; Y38-C55 HydrophobicContact CE2-CB 3.9Å; C41-C55 HydrophobicContact CB-CB 3.65Å; C41-C55 WeakPolarHBondContact CB-SG 3.34Å; C41-C55 WeakPolarHBondContact SG-CA 3.45Å; C41-C55 WeakPolarHBondContact SG-CB 3.43Å; C41-C55 CovalentContact SG-SG 2.04Å; C41-C55 PolarHBondContact SG-SG 2.06Å; D51-C55 VanDerWaalsContact O-CB 3.27Å; D51-C55 WeakPolarHBondContact O-CB 3.15Å; D51-C55 PolarHBondContact O-N 2.89Å; D51-C55 PolarHBondContact O-SG 3.4Å; N52-C55 PolarHBondContact O-N 3.11Å; C55-C59 VanDerWaalsContact O-CB 3.32Å; C55-C59 WeakPolarHBondContact O-CB 3.36Å; C55-C59 PolarHBondContact O-N 3.44Å; C55-C59 PolarHBondContact O-SG 2.9Å; C55-C59 VanDerWaalsContact O-SG 3.38Å
56F78.1Confident67.3Low89 Ų8988.9 Ų88.939%0.3945%0.448SS..Hα-helixtrans-63.3-49.9174.4-177.4-92.2000111Y38 N52 Y54 E58 C59 F60 I61Y38-F56 HydrophobicContact CE2-CB 4.26Å; N52-F56 VanDerWaalsContact O-CB 3.27Å; N52-F56 WeakPolarHBondContact O-CB 3.26Å; N52-F56 PolarHBondContact O-N 3.38Å; Y54-F56 VanDerWaalsContact C-N 3.3Å; Y54-F56 PolarHBondContact O-N 2.81Å; F56-E58 VanDerWaalsContact C-N 3.33Å; F56-E58 PolarHBondContact O-N 3.45Å; F56-C59 PolarHBondContact O-N 2.82Å; F56-F60 HydrophobicContact CD1-CB 4.49Å; F56-F60 HydrophobicContact CD2-CB 4.3Å; F56-F60 AromaticContact CD2-CD2 3.39Å; F56-F60 HydrophobicContact CD2-CD2 3.39Å; F56-F60 AromaticContact CD2-CE2 3.78Å; F56-F60 HydrophobicContact CD2-CE2 3.78Å; F56-F60 AromaticContact CD2-CG 3.89Å; F56-F60 HydrophobicContact CD2-CG 3.89Å; F56-F60 HydrophobicContact CE1-CB 4.21Å; F56-F60 HydrophobicContact CE2-CB 4Å; F56-F60 HydrophobicContact CE2-CD1 4.07Å; F56-F60 AromaticContact CE2-CD2 3.62Å; F56-F60 HydrophobicContact CE2-CD2 3.62Å; F56-F60 HydrophobicContact CE2-CE1 4.46Å; F56-F60 HydrophobicContact CE2-CE2 4.04Å; F56-F60 AromaticContact CE2-CG 3.63Å; F56-F60 HydrophobicContact CE2-CG 3.63Å; F56-F60 HydrophobicContact CE2-CZ 4.44Å; F56-F60 HydrophobicContact CG-CD2 4.05Å; F56-F60 HydrophobicContact CZ-CB 3.96Å; F56-F60 HydrophobicContact CZ-CD2 4.42Å; F56-F60 HydrophobicContact CZ-CG 4.08Å; F56-F60 WeakPolarHBondContact O-CA 3.09Å; F56-F60 VanDerWaalsContact O-CB 3.26Å; F56-F60 WeakPolarHBondContact O-CB 3.31Å; F56-F60 PolarHBondContact O-N 2.68Å; F56-I61 HydrophobicContact CD1-CD1 4.47Å; F56-I61 HydrophobicContact CE1-CD1 4.28Å; F56-I61 HydrophobicContact CE1-CG1 4.29Å
57N77.3Confident66.2Low78 Ų7887.1 Ų87.142%0.41743%0.429SS..Iπ-helixtrans-61.8-43.9178.6-72.6-11.9000111.2N53 Y54 C59 I61 T62N53-N57 WeakPolarHBondContact O-CB 3.39Å; N53-N57 PolarHBondContact O-N 2.84Å; N53-N57 PolarHBondContact O-ND2 3.44Å; Y54-N57 PolarHBondContact O-N 2.76Å; N57-C59 PolarHBondContact O-N 3.16Å; N57-I61 HydrophobicContact CB-CD1 4.41Å; N57-I61 CarbonylContact O-C 3.57Å; N57-I61 WeakPolarHBondContact O-CA 3.46Å; N57-I61 VanDerWaalsContact O-CB 3.28Å; N57-I61 WeakPolarHBondContact O-CB 3.37Å; N57-I61 PolarHBondContact O-N 2.83Å; N57-I61 WeakPolarHBondContact OD1-CD1 3.5Å; N57-T62 PolarHBondContact O-N 3.13Å; N57-T62 PolarHBondContact O-OG1 2.81Å
58E73.9Confident65.3Low30 Ų3082.6 Ų82.614%0.1442%0.415CS..Iπ-helixtrans-62.2-46-178.8-162.8-177.2-162.500111.8Y54 F56 T62 K66Y54-E58 WeakPolarHBondContact O-CB 3.38Å; Y54-E58 PolarHBondContact O-N 3.48Å; F56-E58 VanDerWaalsContact C-N 3.33Å; F56-E58 PolarHBondContact O-N 3.45Å; E58-T62 WeakPolarHBondContact CA-OG1 3.46Å; E58-T62 CarbonylContact O-C 3.28Å; E58-T62 VanDerWaalsContact O-C 3.28Å; E58-T62 PolarHBondContact O-OG1 3.3Å; E58-K66 HydrophobicContact CG-CD 4.46Å; E58-K66 WeakPolarHBondContact OE1-CD 3.18Å; E58-K66 WeakPolarHBondContact OE1-CE 2.79Å; E58-K66 IonicContact OE1-NZ 2.81Å; E58-K66 PolarHBondContact OE1-NZ 2.98Å; E58-K66 IonicContact OE2-NZ 2.65Å; E58-K66 PolarHBondContact OE2-NZ 2.98Å
59C76.2Confident64.2Low4 Ų485.6 Ų85.63%0.02742%0.424CS..Iπ-helixtrans-89.8-36.2-172.9-600000113.6V34 C37 Y38 C55 F56 N57V34-C59 HydrophobicContact CG1-CB 4.14Å; V34-C59 WeakPolarHBondContact CG1-O 3.26Å; C37-C59 HydrophobicContact CB-CB 3.77Å; C37-C59 WeakPolarHBondContact CB-SG 3.19Å; C37-C59 PolarHBondContact O-SG 2.93Å; C37-C59 VanDerWaalsContact O-SG 3.4Å; C37-C59 WeakPolarHBondContact SG-CB 3.28Å; C37-C59 CovalentContact SG-SG 2.06Å; C37-C59 PolarHBondContact SG-SG 3.01Å; Y38-C59 PolarHBondContact N-SG 3.18Å; C55-C59 VanDerWaalsContact O-CB 3.32Å; C55-C59 WeakPolarHBondContact O-CB 3.36Å; C55-C59 PolarHBondContact O-N 3.44Å; C55-C59 PolarHBondContact O-SG 2.9Å; C55-C59 VanDerWaalsContact O-SG 3.38Å; F56-C59 PolarHBondContact O-N 2.82Å; N57-C59 PolarHBondContact O-N 3.16Å
60F73.9Confident63.2Low84 Ų8483 Ų8337%0.36841%0.407SS..Iπ-helixtrans-95.9-32.6-177-68.7-96.5000113.7V34 Y38 F56V34-F60 HydrophobicContact CG1-CB 4.44Å; V34-F60 HydrophobicContact CG1-CD1 3.51Å; V34-F60 HydrophobicContact CG1-CD2 3.73Å; V34-F60 HydrophobicContact CG1-CE1 3.52Å; V34-F60 HydrophobicContact CG1-CE2 3.76Å; V34-F60 HydrophobicContact CG1-CG 3.62Å; V34-F60 HydrophobicContact CG1-CZ 3.65Å; Y38-F60 HydrophobicContact CD2-CE2 4.18Å; Y38-F60 HydrophobicContact CG-CE2 4.2Å; F56-F60 HydrophobicContact CD1-CB 4.49Å; F56-F60 HydrophobicContact CD2-CB 4.3Å; F56-F60 AromaticContact CD2-CD2 3.39Å; F56-F60 HydrophobicContact CD2-CD2 3.39Å; F56-F60 AromaticContact CD2-CE2 3.78Å; F56-F60 HydrophobicContact CD2-CE2 3.78Å; F56-F60 AromaticContact CD2-CG 3.89Å; F56-F60 HydrophobicContact CD2-CG 3.89Å; F56-F60 HydrophobicContact CE1-CB 4.21Å; F56-F60 HydrophobicContact CE2-CB 4Å; F56-F60 HydrophobicContact CE2-CD1 4.07Å; F56-F60 AromaticContact CE2-CD2 3.62Å; F56-F60 HydrophobicContact CE2-CD2 3.62Å; F56-F60 HydrophobicContact CE2-CE1 4.46Å; F56-F60 HydrophobicContact CE2-CE2 4.04Å; F56-F60 AromaticContact CE2-CG 3.63Å; F56-F60 HydrophobicContact CE2-CG 3.63Å; F56-F60 HydrophobicContact CE2-CZ 4.44Å; F56-F60 HydrophobicContact CG-CD2 4.05Å; F56-F60 HydrophobicContact CZ-CB 3.96Å; F56-F60 HydrophobicContact CZ-CD2 4.42Å; F56-F60 HydrophobicContact CZ-CG 4.08Å; F56-F60 WeakPolarHBondContact O-CA 3.09Å; F56-F60 VanDerWaalsContact O-CB 3.26Å; F56-F60 WeakPolarHBondContact O-CB 3.31Å; F56-F60 PolarHBondContact O-N 2.68Å
61I67.1Low62.1Low107 Ų10783.2 Ų83.255%0.54941%0.406SS..Iπ-helixtrans-99.5-41.1-174-54.7-173.2000111.8F56 N57 P63F56-I61 HydrophobicContact CD1-CD1 4.47Å; F56-I61 HydrophobicContact CE1-CD1 4.28Å; F56-I61 HydrophobicContact CE1-CG1 4.29Å; N57-I61 HydrophobicContact CB-CD1 4.41Å; N57-I61 CarbonylContact O-C 3.57Å; N57-I61 WeakPolarHBondContact O-CA 3.46Å; N57-I61 VanDerWaalsContact O-CB 3.28Å; N57-I61 WeakPolarHBondContact O-CB 3.37Å; N57-I61 PolarHBondContact O-N 2.83Å; N57-I61 WeakPolarHBondContact OD1-CD1 3.5Å; I61-P63 WeakPolarHBondContact O-CD 3.24Å
62T63.2Low60.6Low69 Ų6989.9 Ų89.942%0.42344%0.438SS..  trans-11661.7178.951.50000112.5N57 E58 N64N57-T62 PolarHBondContact O-N 3.13Å; N57-T62 PolarHBondContact O-OG1 2.81Å; E58-T62 WeakPolarHBondContact CA-OG1 3.46Å; E58-T62 CarbonylContact O-C 3.28Å; E58-T62 VanDerWaalsContact O-C 3.28Å; E58-T62 PolarHBondContact O-OG1 3.3Å; T62-N64 PolarHBondContact O-N 2.65Å
63P52.6Low58.7Low29 Ų2994.5 Ų94.519%0.18846%0.462CS..Hα-helixtrans-61.4-18.6177.927.7-35000112.6I61 R67I61-P63 WeakPolarHBondContact O-CD 3.24Å; P63-R67 HydrophobicContact CB-CG 4.38Å; P63-R67 WeakPolarHBondContact O-CB 3.2Å; P63-R67 WeakPolarHBondContact O-CG 3.49Å; P63-R67 PolarHBondContact O-N 2.94Å
64N48.9Very low56.6Low131 Ų13196 Ų9670%0.70150%0.503SS*.Hα-helixtrans-75.5-23.5-167.8-69.2-18.3000115.7T62T62-N64 PolarHBondContact O-N 2.65Å
65E48.5Very low55.5Low177 Ų17794 Ų9483%0.82750%0.501SS*.Hα-helixtrans-83.2-31.6179.7-84.8-173.3156.300113.1
66K47.4Very low54.3Low80 Ų8098.9 Ų98.935%0.34853%0.527SS..Hα-helixtrans-99.1-19.1176.3-80.3-175.2171.4164.50114.8E58 G68 K69 F70E58-K66 HydrophobicContact CG-CD 4.46Å; E58-K66 WeakPolarHBondContact OE1-CD 3.18Å; E58-K66 WeakPolarHBondContact OE1-CE 2.79Å; E58-K66 IonicContact OE1-NZ 2.81Å; E58-K66 PolarHBondContact OE1-NZ 2.98Å; E58-K66 IonicContact OE2-NZ 2.65Å; E58-K66 PolarHBondContact OE2-NZ 2.98Å; K66-G68 PolarHBondContact O-N 3.21Å; K66-K69 WeakPolarHBondContact O-CA 3.17Å; K66-K69 PolarHBondContact O-N 3.08Å; K66-F70 HydrophobicContact CB-CD2 4.22Å; K66-F70 HydrophobicContact CB-CE2 4.06Å; K66-F70 VanDerWaalsContact O-CD2 3.31Å; K66-F70 WeakPolarHBondContact O-CD2 3.1Å; K66-F70 PolarHBondContact O-N 3.18Å; K66-F70 VanDerWaalsContact O-N 3.08Å
67R47Very low53Low76 Ų7699.4 Ų99.429%0.28754%0.535SS..Hα-helixtrans-54.9-36172.4-90.1178.2179.5163.312.4112.1P63 K69 F70 F71P63-R67 HydrophobicContact CB-CG 4.38Å; P63-R67 WeakPolarHBondContact O-CB 3.2Å; P63-R67 WeakPolarHBondContact O-CG 3.49Å; P63-R67 PolarHBondContact O-N 2.94Å; R67-K69 PolarHBondContact O-N 3.29Å; R67-F70 PolarHBondContact O-N 3.21Å; R67-F71 HydrophobicContact CB-CD2 4Å; R67-F71 HydrophobicContact CB-CE2 3.99Å; R67-F71 HydrophobicContact CG-CD2 4.33Å; R67-F71 HydrophobicContact CG-CE2 3.85Å; R67-F71 WeakPolarHBondContact O-CD2 3.13Å; R67-F71 PolarHBondContact O-N 2.98Å
68G41.6Very low51.6Low44 Ų44100.7 Ų100.745%0.45454%0.542SS..Hα-helixtrans-58.1-26.9173.500000114.3K66 M72K66-G68 PolarHBondContact O-N 3.21Å; G68-M72 VanDerWaalsContact O-CG 3.32Å; G68-M72 WeakPolarHBondContact O-CG 3.32Å
69K42.7Very low50.2Low159 Ų159105.1 Ų105.169%0.69157%0.567SS**Hα-helixtrans-88.3-37.6173.8-80.8-178.3173178.70113.1K66 R67 M72K66-K69 WeakPolarHBondContact O-CA 3.17Å; K66-K69 PolarHBondContact O-N 3.08Å; R67-K69 PolarHBondContact O-N 3.29Å; K69-M72 PolarHBondContact O-N 2.88Å
70F44.1Very low48.5Very low97 Ų97111.9 Ų111.943%0.42560%0.603SS.*Hα-helixtrans-70.8-30.8178.6-73.6-74.5000113.1C37 K66 R67 M72C37-F70 HydrophobicContact CB-CE2 4.4Å; C37-F70 HydrophobicContact CB-CZ 4.44Å; K66-F70 HydrophobicContact CB-CD2 4.22Å; K66-F70 HydrophobicContact CB-CE2 4.06Å; K66-F70 VanDerWaalsContact O-CD2 3.31Å; K66-F70 WeakPolarHBondContact O-CD2 3.1Å; K66-F70 PolarHBondContact O-N 3.18Å; K66-F70 VanDerWaalsContact O-N 3.08Å; R67-F70 PolarHBondContact O-N 3.21Å; F70-M72 VanDerWaalsContact C-N 3.32Å
71F42.3Very low46.6Very low162 Ų162113.9 Ų113.971%0.71162%0.62SS**THydrogen-bonded Turntrans-81.7-5.1173.6-71.9-71.2000114.1R67R67-F71 HydrophobicContact CB-CD2 4Å; R67-F71 HydrophobicContact CB-CE2 3.99Å; R67-F71 HydrophobicContact CG-CD2 4.33Å; R67-F71 HydrophobicContact CG-CE2 3.85Å; R67-F71 WeakPolarHBondContact O-CD2 3.13Å; R67-F71 PolarHBondContact O-N 2.98Å
72M37.7Very low45.1Very low162 Ų162114.4 Ų114.480%0.79863%0.625SS**THydrogen-bonded Turntrans-97.52.7176.1-81.5-172.5144.500114G68 K69 F70G68-M72 VanDerWaalsContact O-CG 3.32Å; G68-M72 WeakPolarHBondContact O-CG 3.32Å; K69-M72 PolarHBondContact O-N 2.88Å; F70-M72 VanDerWaalsContact C-N 3.32Å
73L35Very low43.6Very low163 Ų163118.2 Ų118.285%0.85364%0.642SS**  trans-105.824174.1-84.8158.8000113
74G35Very low42.7Very low138 Ų138126.3 Ų126.3100%1.42368%0.683SS**  trans-126.90168.700000110.9

Retrieved 74 of 74 residues in 110.8 ms (Link to these results)