A0A061I0K7_CRIGR Loading...

CD7 antigen

AlphaFold DB , UniProt , Accession A0A061I0K7, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Cd7, Length 205 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
1M51.6Low66Low219 Ų219113.7 Ų113.7100%1.07962%0.616SS**  0-29.50-70.2178.873.200113.4
2T58.2Low66.5Low125 Ų125114.5 Ų114.577%0.76762%0.615SS**Hα-helixtrans-78.9-30.3-175.948.30000114.7L6T2-L6 PolarHBondContact O-N 2.91Å; T2-L6 VanDerWaalsContact O-N 3.16Å
3Q54.6Low66.4Low144 Ų144112.6 Ų112.667%0.67360%0.604SS**Hα-helixtrans-70.6-43.5-179-176171.3-13.500112.9A5 L6 L7Q3-A5 VanDerWaalsContact C-N 3.32Å; Q3-A5 PolarHBondContact O-N 3.23Å; Q3-L6 PolarHBondContact O-N 3.23Å; Q3-L7 PolarHBondContact O-N 3.3Å; Q3-L7 VanDerWaalsContact O-N 3.08Å
4E61.4Low66.1Low136 Ų136109 Ų10964%0.63660%0.598SS**Hα-helixtrans-63.3-38.6175.6-61.1-55125.800111.9L7 A8E4-L7 PolarHBondContact O-N 3.32Å; E4-A8 WeakPolarHBondContact O-CB 3.4Å; E4-A8 PolarHBondContact O-N 2.65Å
5A69.8Low66Low60 Ų60116.5 Ų116.550%0.49661%0.613SS.*Hα-helixtrans-66.6-37.5177.400000112.3Q3 L9Q3-A5 VanDerWaalsContact C-N 3.32Å; Q3-A5 PolarHBondContact O-N 3.23Å; A5-L9 VanDerWaalsContact O-CB 3.3Å; A5-L9 WeakPolarHBondContact O-CB 3.41Å; A5-L9 PolarHBondContact O-N 2.84Å
6L67.4Low65.6Low107 Ų107117.6 Ų117.656%0.5662%0.619SS**Hα-helixtrans-66.7-42.4175.9-168.883.7000111.3T2 Q3 L9 L10T2-L6 PolarHBondContact O-N 2.91Å; T2-L6 VanDerWaalsContact O-N 3.16Å; Q3-L6 PolarHBondContact O-N 3.23Å; L6-L9 PolarHBondContact O-N 3.21Å; L6-L10 HydrophobicContact CG-CD1 4.33Å; L6-L10 VanDerWaalsContact O-CG 3.3Å; L6-L10 WeakPolarHBondContact O-CG 3.47Å; L6-L10 PolarHBondContact O-N 3.07Å
7L69.5Low65Low92 Ų92117.8 Ų117.848%0.48262%0.62SS.*Hα-helixtrans-68.9-40.4-178.7-147.8136.4000111.1Q3 E4 L10 L11Q3-L7 PolarHBondContact O-N 3.3Å; Q3-L7 VanDerWaalsContact O-N 3.08Å; E4-L7 PolarHBondContact O-N 3.32Å; L7-L10 PolarHBondContact O-N 2.88Å; L7-L11 HydrophobicContact CD2-CD1 3.98Å; L7-L11 VanDerWaalsContact O-CG 3.31Å; L7-L11 WeakPolarHBondContact O-CG 3.07Å; L7-L11 PolarHBondContact O-N 2.88Å
8A76Confident64.5Low52 Ų52117.3 Ų117.343%0.4363%0.625SS.*Hα-helixtrans-62.1-42.1171.100000112.1E4 L11 M12E4-A8 WeakPolarHBondContact O-CB 3.4Å; E4-A8 PolarHBondContact O-N 2.65Å; A8-L11 PolarHBondContact O-N 2.92Å; A8-M12 VanDerWaalsContact O-CG 3.26Å; A8-M12 WeakPolarHBondContact O-CG 3.28Å; A8-M12 PolarHBondContact O-N 2.87Å
9L73.5Confident64.1Low104 Ų104114 Ų11455%0.54562%0.621SS.*Hα-helixtrans-64.5-41.7177.4-173.865.9000112A5 L6 M12 L13A5-L9 VanDerWaalsContact O-CB 3.3Å; A5-L9 WeakPolarHBondContact O-CB 3.41Å; A5-L9 PolarHBondContact O-N 2.84Å; L6-L9 PolarHBondContact O-N 3.21Å; L9-M12 PolarHBondContact O-N 2.92Å; L9-L13 HydrophobicContact CG-CD1 4.24Å; L9-L13 VanDerWaalsContact O-CG 3.31Å; L9-L13 WeakPolarHBondContact O-CG 3.07Å; L9-L13 PolarHBondContact O-N 3.37Å
10L72.3Confident63.5Low105 Ų105115.1 Ų115.155%0.5563%0.634SS.*Hα-helixtrans-64.5-41176.4-73.4169.2000111.9L6 L7 M12 L13 A14L6-L10 HydrophobicContact CG-CD1 4.33Å; L6-L10 VanDerWaalsContact O-CG 3.3Å; L6-L10 WeakPolarHBondContact O-CG 3.47Å; L6-L10 PolarHBondContact O-N 3.07Å; L7-L10 PolarHBondContact O-N 2.88Å; L10-M12 VanDerWaalsContact C-N 3.33Å; L10-L13 PolarHBondContact O-N 3.11Å; L10-A14 WeakPolarHBondContact O-CB 3.12Å; L10-A14 PolarHBondContact O-N 3.28Å
11L71.9Confident62.7Low107 Ų107117 Ų11756%0.5664%0.643SS**Hα-helixtrans-65.8-36.2175.2-72.3171.5000112.1L7 A8 A14 R15L7-L11 HydrophobicContact CD2-CD1 3.98Å; L7-L11 VanDerWaalsContact O-CG 3.31Å; L7-L11 WeakPolarHBondContact O-CG 3.07Å; L7-L11 PolarHBondContact O-N 2.88Å; A8-L11 PolarHBondContact O-N 2.92Å; L11-A14 PolarHBondContact O-N 3.19Å; L11-R15 VanDerWaalsContact O-CG 3.26Å; L11-R15 WeakPolarHBondContact O-CG 3.35Å; L11-R15 PolarHBondContact O-N 3.46Å
12M72.4Confident62.2Low123 Ų123114.5 Ų114.561%0.60663%0.634SS**Hα-helixtrans-68.4-39.7174.7-72.3-64-70.700112.1A8 L9 L10 A14 R15 L16A8-M12 VanDerWaalsContact O-CG 3.26Å; A8-M12 WeakPolarHBondContact O-CG 3.28Å; A8-M12 PolarHBondContact O-N 2.87Å; L9-M12 PolarHBondContact O-N 2.92Å; L10-M12 VanDerWaalsContact C-N 3.33Å; M12-A14 VanDerWaalsContact C-N 3.35Å; M12-R15 PolarHBondContact O-N 3.17Å; M12-L16 WeakPolarHBondContact O-CG 3.39Å; M12-L16 PolarHBondContact O-N 3.35Å
13L65.2Low61.7Low90 Ų90112.7 Ų112.747%0.47163%0.632SS.*Hα-helixtrans-66.7-35.7175-70.7166.5000112.2L9 L10 R15 L16 L17L9-L13 HydrophobicContact CG-CD1 4.24Å; L9-L13 VanDerWaalsContact O-CG 3.31Å; L9-L13 WeakPolarHBondContact O-CG 3.07Å; L9-L13 PolarHBondContact O-N 3.37Å; L10-L13 PolarHBondContact O-N 3.11Å; L13-R15 PolarHBondContact O-N 3.27Å; L13-L16 HydrophobicContact CD2-CD1 4.34Å; L13-L16 PolarHBondContact O-N 2.76Å; L13-L16 VanDerWaalsContact O-N 3.13Å; L13-L17 PolarHBondContact O-N 2.86Å
14A62.3Low61.3Low62 Ų62114.3 Ų114.351%0.51264%0.639SS.*Hα-helixtrans-62.7-25.4173.400000113.4L10 L11 M12L10-A14 WeakPolarHBondContact O-CB 3.12Å; L10-A14 PolarHBondContact O-N 3.28Å; L11-A14 PolarHBondContact O-N 3.19Å; M12-A14 VanDerWaalsContact C-N 3.35Å
15R63.7Low61Low221 Ų221116.8 Ų116.883%0.83465%0.651SS**Hα-helixtrans-86.5-17.8175.9-60.6-80.2-177.2-174.1-0.4113.3L11 M12 L13L11-R15 VanDerWaalsContact O-CG 3.26Å; L11-R15 WeakPolarHBondContact O-CG 3.35Å; L11-R15 PolarHBondContact O-N 3.46Å; M12-R15 PolarHBondContact O-N 3.17Å; L13-R15 PolarHBondContact O-N 3.27Å
16L59.6Low60.7Low134 Ų134117.3 Ų117.370%0.70265%0.645SS**Hα-helixtrans-91.2-16.5177.9-73.2162.8000112.7M12 L13M12-L16 WeakPolarHBondContact O-CG 3.39Å; M12-L16 PolarHBondContact O-N 3.35Å; L13-L16 HydrophobicContact CD2-CD1 4.34Å; L13-L16 PolarHBondContact O-N 2.76Å; L13-L16 VanDerWaalsContact O-N 3.13Å
17L56.3Low60.7Low121 Ų121115.8 Ų115.863%0.63464%0.641SS**SBendtrans-63.4126.7166.9-84.8143.4000108.3L13 G19L13-L17 PolarHBondContact O-N 2.86Å; L17-G19 PolarHBondContact O-N 3.29Å; L17-G19 VanDerWaalsContact O-N 3.08Å
18P56.1Low60.9Low110 Ų110114.5 Ų114.571%0.71464%0.637SS**PPolyproline II helixtrans-50.9123.5168.8-20.630.4000107.4
19G56.5Low61Low54 Ų54114.5 Ų114.556%0.55763%0.63SS**PPolyproline II helixtrans-51.3159.1167.100000109.2L17 L21L17-G19 PolarHBondContact O-N 3.29Å; L17-G19 VanDerWaalsContact O-N 3.08Å; G19-L21 PolarHBondContact O-N 2.94Å
20P52.1Low61.2Low135 Ų135114.5 Ų114.588%0.87763%0.628SS**  trans-48.8111.7177.421-30.8000107.6D22P20-D22 PolarHBondContact O-N 2.93Å
21L46.6Very low61.8Low156 Ų156110 Ų11082%0.81761%0.605SS**  trans-52.4120.1168.3-80.5159.3000103.6G19 A23G19-L21 PolarHBondContact O-N 2.94Å; L21-A23 PolarHBondContact O-N 3.05Å
22D40.5Very low62.3Low166 Ų166106 Ų10689%0.88859%0.586SS**  trans-57.493.8173.8-144.34.2000104.9P20 Q24P20-D22 PolarHBondContact O-N 2.93Å; D22-Q24 PolarHBondContact O-N 3.06Å
23A47.6Very low63Low88 Ų88106 Ų10673%0.72759%0.585SS**  trans-73.692.6-175.900000103.5L21 E25L21-A23 PolarHBondContact O-N 3.05Å; A23-E25 VanDerWaalsContact C-N 3.32Å; A23-E25 PolarHBondContact O-N 2.8Å
24Q46.9Very low64.2Low178 Ų178103.7 Ų103.783%0.83258%0.583SS**  trans-56.7104.4173.2-171.7162.937.300106.3D22 I26D22-Q24 PolarHBondContact O-N 3.06Å; Q24-I26 PolarHBondContact O-N 2.94Å
25E55.6Low65.5Low187 Ų187104.8 Ų104.887%0.87458%0.578SS**  trans-67.8100.8-174.8-162.2171.6-162.900107.1A23 P27A23-E25 VanDerWaalsContact C-N 3.32Å; A23-E25 PolarHBondContact O-N 2.8Å; E25-P27 WeakPolarHBondContact O-CD 3.4Å
26I62.2Low66.9Low72 Ų7297.4 Ų97.437%0.36956%0.56SS.*PPolyproline II helixtrans-68.5123-179.7-77158.1000107.8Q24 V28 M121Q24-I26 PolarHBondContact O-N 2.94Å; I26-V28 PolarHBondContact O-N 3.45Å; I26-M121 HydrophobicContact CB-CB 4.41Å; I26-M121 HydrophobicContact CB-CG 4.5Å; I26-M121 HydrophobicContact CD1-CB 4.34Å; I26-M121 HydrophobicContact CD1-CE 3.69Å; I26-M121 HydrophobicContact CD1-CG 4.43Å; I26-M121 HydrophobicContact CD1-SD 3.69Å; I26-M121 HydrophobicContact CG1-CB 4.1Å; I26-M121 HydrophobicContact CG1-CG 4.49Å; I26-M121 HydrophobicContact CG1-SD 4.36Å; I26-M121 HydrophobicContact CG2-CB 3.48Å; I26-M121 VanDerWaalsContact CG2-CB 3.48Å; I26-M121 HydrophobicContact CG2-CG 3.31Å; I26-M121 WeakPolarHBondContact CG2-O 3.26Å; I26-M121 HydrophobicContact CG2-SD 3.72Å
27P68.1Low68.4Low75 Ų7591.7 Ų91.749%0.48753%0.53SS..PPolyproline II helixtrans-65.9121.6179.624-30.2000110.8E25E25-P27 WeakPolarHBondContact O-CD 3.4Å
28V73.3Confident70.1Confident65 Ų6590.4 Ų90.439%0.39452%0.524SS..EExtended strand (participates in β ladder)trans-95.7126.9177.8-178.10000109.2I26 M30 M123I26-V28 PolarHBondContact O-N 3.45Å; V28-M30 HydrophobicContact CG1-CG 4.33Å; V28-M30 HydrophobicContact CG1-SD 3.73Å; V28-M123 HydrophobicContact CB-CE 4.24Å; V28-M123 HydrophobicContact CG1-CB 4.24Å; V28-M123 HydrophobicContact CG1-CE 3.48Å; V28-M123 VanDerWaalsContact CG1-CE 3.48Å; V28-M123 HydrophobicContact CG2-CB 4.48Å; V28-M123 HydrophobicContact CG2-CE 3.68Å
29L77.6Confident71.8Confident52 Ų5285.3 Ų85.327%0.27249%0.491SS..EExtended strand (participates in β ladder)trans-104.8112.8176-62.4-176.8000109.3V37 N38 I39 V122 M123 V124 T125L29-V37 HydrophobicContact CB-CG1 4.46Å; L29-V37 HydrophobicContact CD1-CB 4.37Å; L29-N38 WeakPolarHBondContact CD1-O 3.38Å; L29-I39 HydrophobicContact CD1-CG1 4.36Å; L29-V122 HydrophobicContact CB-CG1 4.01Å; L29-V122 HydrophobicContact CD1-CB 4.38Å; L29-V122 HydrophobicContact CD1-CG1 3.39Å; L29-V122 HydrophobicContact CD1-CG2 4.1Å; L29-V122 HydrophobicContact CG-CG1 3.75Å; L29-M123 CarbonylContact C-O 3.5Å; L29-M123 PolarHBondContact N-O 3.2Å; L29-V124 VanDerWaalsContact O-CA 3.29Å; L29-V124 WeakPolarHBondContact O-CA 3.09Å; L29-T125 PolarHBondContact O-N 2.97Å
30M78.9Confident73.5Confident104 Ų10486.4 Ų86.451%0.51249%0.487SS..EExtended strand (participates in β ladder)trans-94.6129.4-179-57.1-69.8-5800110V28 T125 E126V28-M30 HydrophobicContact CG1-CG 4.33Å; V28-M30 HydrophobicContact CG1-SD 3.73Å; M30-T125 WeakPolarHBondContact CE-OG1 3.17Å; M30-T125 WeakPolarHBondContact SD-CB 2.95Å; M30-T125 HydrophobicContact SD-CG2 4.27Å; M30-T125 PolarHBondContact SD-OG1 3.47Å; M30-E126 WeakPolarHBondContact CE-O 3.34Å
31A84.3Confident75.3Confident9 Ų980 Ų807%0.07445%0.445CS..  trans-154.2149.3177.700000112.6E35 V37 L97 T125A31-E35 HydrophobicContact CB-CB 4.36Å; A31-V37 HydrophobicContact CB-CG1 3.44Å; A31-V37 VanDerWaalsContact CB-CG1 3.44Å; A31-L97 HydrophobicContact CB-CD1 3.48Å; A31-L97 VanDerWaalsContact CB-CD1 3.48Å; A31-T125 PolarHBondContact N-O 2.89Å
32S82.8Confident77.2Confident23 Ų2375.9 Ų75.916%0.16143%0.43CS..  trans-83.8160.5177-35.60000111.3G34 E35 K127S32-G34 PolarHBondContact O-N 2.79Å; S32-E35 VanDerWaalsContact CB-OE2 3.26Å; S32-E35 WeakPolarHBondContact CB-OE2 3.17Å; S32-E35 PolarHBondContact N-OE2 3.27Å; S32-E35 WeakPolarHBondContact O-CB 3.42Å; S32-E35 PolarHBondContact O-N 2.85Å; S32-E35 VanDerWaalsContact O-N 3.08Å; S32-E35 VanDerWaalsContact OG-CD 3.26Å; S32-E35 PolarHBondContact OG-OE2 2.85Å; S32-K127 WeakPolarHBondContact OG-CB 3.45Å; S32-K127 WeakPolarHBondContact OG-CD 3.35Å
33E87.3Confident79.2Confident125 Ų12569.1 Ų69.158%0.58439%0.394SS*.THydrogen-bonded Turntrans-56.9133.8168.3-176.8158.2-149.400110.5E35 L97 K99E33-E35 VanDerWaalsContact C-N 3.3Å; E33-E35 PolarHBondContact O-N 3.4Å; E33-L97 CarbonylContact C-O 3.58Å; E33-L97 WeakPolarHBondContact CA-O 3.29Å; E33-L97 WeakPolarHBondContact CG-O 3.3Å; E33-K99 WeakPolarHBondContact OE2-CE 3.42Å
34G89.2Confident80.7Confident41 Ų4170.1 Ų70.142%0.42340%0.396SS..THydrogen-bonded Turntrans86.2-18.1-174.300000115.4S32 L97S32-G34 PolarHBondContact O-N 2.79Å; G34-L97 PolarHBondContact N-O 2.99Å
35E90.7Very high82.3Confident85 Ų8563.9 Ų63.940%0.39738%0.379SS..  trans-75.4180177.6-67.5-177.1152.300111.8A31 S32 E33 L96 L97A31-E35 HydrophobicContact CB-CB 4.36Å; S32-E35 VanDerWaalsContact CB-OE2 3.26Å; S32-E35 WeakPolarHBondContact CB-OE2 3.17Å; S32-E35 PolarHBondContact N-OE2 3.27Å; S32-E35 WeakPolarHBondContact O-CB 3.42Å; S32-E35 PolarHBondContact O-N 2.85Å; S32-E35 VanDerWaalsContact O-N 3.08Å; S32-E35 VanDerWaalsContact OG-CD 3.26Å; S32-E35 PolarHBondContact OG-OE2 2.85Å; E33-E35 VanDerWaalsContact C-N 3.3Å; E33-E35 PolarHBondContact O-N 3.4Å; E35-L96 PolarHBondContact O-N 2.73Å; E35-L96 VanDerWaalsContact O-N 3.12Å; E35-L97 WeakPolarHBondContact O-CG 3.43Å; E35-L97 PolarHBondContact O-N 3.43Å
36S92.7Very high83.6Confident66 Ų6661.5 Ų61.546%0.46237%0.373SS..  trans-126.9147178.3-52.30000111.3M94 R95S36-M94 CarbonylContact C-O 3.5Å; S36-M94 WeakPolarHBondContact CA-O 3.41Å; S36-M94 WeakPolarHBondContact CB-O 3.44Å; S36-R95 WeakPolarHBondContact OG-CA 3.12Å
37V91.1Very high84.8Confident13 Ų1359.4 Ų59.48%0.07936%0.362CS..EExtended strand (participates in β ladder)trans-127.5149.1175.1-680000110.7L29 A31 T93 M94 L97L29-V37 HydrophobicContact CB-CG1 4.46Å; L29-V37 HydrophobicContact CD1-CB 4.37Å; A31-V37 HydrophobicContact CB-CG1 3.44Å; A31-V37 VanDerWaalsContact CB-CG1 3.44Å; V37-T93 CarbonylContact O-C 3.01Å; V37-T93 WeakPolarHBondContact O-CA 3.36Å; V37-M94 HydrophobicContact CG2-CB 3.94Å; V37-M94 HydrophobicContact CG2-CG 4.49Å; V37-M94 PolarHBondContact N-O 2.78Å; V37-M94 PolarHBondContact O-N 2.98Å; V37-L97 HydrophobicContact CB-CD1 4.43Å; V37-L97 HydrophobicContact CG1-CD1 3.79Å; V37-L97 HydrophobicContact CG2-CD1 4.01Å; V37-L97 HydrophobicContact CG2-CD2 4.24Å
38N93.2Very high85.9Confident95 Ų9560 Ų6051%0.50836%0.358SS..EExtended strand (participates in β ladder)trans-109.4123.8178-67.2-17.3000109.8L29 T91 T93L29-N38 WeakPolarHBondContact CD1-O 3.38Å; N38-T91 HydrophobicContact CB-CG2 4.03Å; N38-T93 WeakPolarHBondContact OD1-CB 3.43Å; N38-T93 VanDerWaalsContact OD1-CG2 3.3Å; N38-T93 WeakPolarHBondContact OD1-CG2 3.38Å; N38-T93 PolarHBondContact OD1-OG1 2.96Å
39I91.3Very high86.8Confident3 Ų356.9 Ų56.92%0.01534%0.34CS..EExtended strand (participates in β ladder)trans-107.1114.8176.1-58.6-179.9000107.7L29 L52 T91 I92 M94 Y105 V122L29-I39 HydrophobicContact CD1-CG1 4.36Å; I39-L52 HydrophobicContact CD1-CD1 4.3Å; I39-L52 HydrophobicContact CD1-CD2 4.15Å; I39-L52 HydrophobicContact CG2-CD1 4.17Å; I39-T91 WeakPolarHBondContact O-CA 3.33Å; I39-I92 HydrophobicContact CB-CB 4.48Å; I39-I92 PolarHBondContact N-O 2.74Å; I39-I92 PolarHBondContact O-N 3.38Å; I39-M94 HydrophobicContact CD1-CG 4.39Å; I39-M94 HydrophobicContact CD1-SD 3.66Å; I39-Y105 HydrophobicContact CD1-CG 4.32Å; I39-V122 HydrophobicContact CD1-CB 4.38Å; I39-V122 HydrophobicContact CD1-CG1 4.14Å; I39-V122 HydrophobicContact CG1-CB 4.5Å; I39-V122 HydrophobicContact CG1-CG1 4.16Å; I39-V122 HydrophobicContact CG1-CG2 4.21Å; I39-V122 HydrophobicContact CG2-CG2 4.01Å
40T91.1Very high87.5Confident77 Ų7754.5 Ų54.547%0.47233%0.327SS..EExtended strand (participates in β ladder)trans-94.7127177.850.50000110.6T91T40-T91 HydrophobicContact CG2-CG2 4.2Å
41C89.6Confident88.2Confident1 Ų152.3 Ų52.31%0.00731%0.313CS..EExtended strand (participates in β ladder)trans-111.8103.5174.8-53.20000108.3I50 L90 C107C41-I50 HydrophobicContact CB-CD1 4.44Å; C41-L90 HydrophobicContact CB-CB 4.3Å; C41-L90 PolarHBondContact N-O 3.4Å; C41-L90 PolarHBondContact O-N 3.45Å; C41-C107 HydrophobicContact CB-CB 3.64Å; C41-C107 WeakPolarHBondContact CB-SG 3.48Å; C41-C107 WeakPolarHBondContact SG-CB 3.1Å; C41-C107 CovalentContact SG-SG 2.03Å; C41-C107 PolarHBondContact SG-SG 3.19Å
42S87.7Confident88.6Confident69 Ų6951.9 Ų51.948%0.48331%0.31SS..EExtended strand (participates in β ladder)trans-99.5111.8173.7-570000109.2L118S42-L118 WeakPolarHBondContact O-CD2 3.1Å
43T82.8Confident89.1Confident23 Ų2354.2 Ų54.214%0.14132%0.317CS..  trans-131.6143.9-178.4-50.30000109.4L47 N88 A109T43-L47 HydrophobicContact CG2-CD1 3.52Å; T43-L47 HydrophobicContact CG2-CD2 3.78Å; T43-L47 HydrophobicContact CG2-CG 4.25Å; T43-N88 PolarHBondContact N-O 2.82Å; T43-N88 VanDerWaalsContact O-CA 3.29Å; T43-N88 WeakPolarHBondContact O-CA 3.29Å; T43-N88 WeakPolarHBondContact O-CB 2.88Å; T43-N88 VanDerWaalsContact O-O 3.06Å; T43-A109 HydrophobicContact CG2-CB 3.6Å
44S79Confident89.4Confident110 Ų11048.4 Ų48.477%0.76929%0.29SS*.  trans-108.4153.117553.30000111.6
45G79.7Confident89.4Confident47 Ų4749.6 Ų49.649%0.48529%0.292SS..SBendtrans107.3-176.1172.800000114.9L47G45-L47 PolarHBondContact O-N 2.95Å
46D83.5Confident89.2Confident137 Ų13752.5 Ų52.573%0.73330%0.299SS*.  trans-83.492.2179.1-73.9-10000110.3
47L87.4Confident88.9Confident28 Ų2853.2 Ų53.215%0.14730%0.302CS..EExtended strand (participates in β ladder)trans-94.3139.6-174.4-49.8-179.3000111.1T43 G45 I50 Q87 N88 A109 V110 T111T43-L47 HydrophobicContact CG2-CD1 3.52Å; T43-L47 HydrophobicContact CG2-CD2 3.78Å; T43-L47 HydrophobicContact CG2-CG 4.25Å; G45-L47 PolarHBondContact O-N 2.95Å; L47-I50 HydrophobicContact CD1-CD1 4.26Å; L47-I50 HydrophobicContact CD1-CG1 4.46Å; L47-Q87 HydrophobicContact CB-CG 4.24Å; L47-Q87 HydrophobicContact CD1-CG 4.13Å; L47-Q87 PolarHBondContact O-NE2 3.37Å; L47-N88 WeakPolarHBondContact CD1-OD1 3.48Å; L47-A109 HydrophobicContact CD2-CB 4.04Å; L47-V110 CarbonylContact C-O 3.51Å; L47-T111 HydrophobicContact CD2-CG2 3.82Å
48Q90.5Very high88.8Confident87 Ų8759.7 Ų59.741%0.40733%0.332SS..EExtended strand (participates in β ladder)trans-88.1-34.3170.6-67.4-176.614.900112.8Y64 E66 Q87 V110 K112Q48-Y64 PolarHBondContact O-OH 2.81Å; Q48-Y64 VanDerWaalsContact O-OH 3.11Å; Q48-E66 WeakPolarHBondContact O-CG 3.21Å; Q48-Q87 VanDerWaalsContact C-NE2 3.26Å; Q48-V110 HydrophobicContact CB-CB 4.41Å; Q48-V110 HydrophobicContact CB-CG1 4.16Å; Q48-V110 PolarHBondContact N-O 2.75Å; Q48-K112 HydrophobicContact CG-CG 4.27Å; Q48-K112 VanDerWaalsContact NE2-CG 3.33Å
49G91.8Very high88.7Confident0 Ų059.1 Ų59.10%034%0.34CS..EExtended strand (participates in β ladder)trans-169.5176172.600000112.4Y64 F65 Q87 V110G49-Y64 WeakPolarHBondContact CA-OH 3.4Å; G49-F65 CarbonylContact C-O 3.46Å; G49-F65 VanDerWaalsContact CA-O 3.24Å; G49-F65 WeakPolarHBondContact CA-O 3.36Å; G49-Q87 VanDerWaalsContact C-NE2 3.34Å; G49-Q87 VanDerWaalsContact CA-CD 3.5Å; G49-V110 PolarHBondContact O-N 2.88Å
50I92.8Very high88.8Confident2 Ų260.6 Ų60.61%0.0135%0.351CS..EExtended strand (participates in β ladder)trans-126.8130171.9-69.4-179.4000109.8C41 L47 Y64 F65 Q87 L90 C107C41-I50 HydrophobicContact CB-CD1 4.44Å; L47-I50 HydrophobicContact CD1-CD1 4.26Å; L47-I50 HydrophobicContact CD1-CG1 4.46Å; I50-Y64 WeakPolarHBondContact O-CA 3.25Å; I50-F65 PolarHBondContact N-O 2.88Å; I50-F65 PolarHBondContact O-N 3.37Å; I50-Q87 HydrophobicContact CB-CG 4.49Å; I50-Q87 HydrophobicContact CD1-CG 3.74Å; I50-Q87 WeakPolarHBondContact CD1-O 3.3Å; I50-Q87 HydrophobicContact CG1-CG 3.69Å; I50-L90 HydrophobicContact CB-CD2 4.37Å; I50-L90 HydrophobicContact CG2-CD2 4.31Å; I50-C107 HydrophobicContact CG2-CB 4.35Å
51Y93.7Very high89Confident58 Ų5862.8 Ų62.823%0.22735%0.354CS..EExtended strand (participates in β ladder)trans-94.2137.1165.4-74.7-79.4000110.9K61 T63 Y64 C107 S108 V110Y51-K61 HydrophobicContact CD1-CB 4.42Å; Y51-K61 HydrophobicContact CD1-CD 3.99Å; Y51-K61 HydrophobicContact CD1-CG 4.22Å; Y51-K61 HydrophobicContact CE1-CD 3.71Å; Y51-K61 HydrophobicContact CE1-CG 4.44Å; Y51-T63 VanDerWaalsContact CA-O 3.3Å; Y51-T63 WeakPolarHBondContact CA-O 3.39Å; Y51-Y64 AromaticContact CD1-CD2 3.87Å; Y51-Y64 HydrophobicContact CD1-CD2 3.87Å; Y51-Y64 HydrophobicContact CD1-CG 4.37Å; Y51-Y64 AromaticContact CD2-CD2 3.85Å; Y51-Y64 HydrophobicContact CD2-CD2 3.85Å; Y51-Y64 HydrophobicContact CD2-CE2 4.3Å; Y51-Y64 AromaticContact CE1-CD2 3.58Å; Y51-Y64 HydrophobicContact CE1-CD2 3.58Å; Y51-Y64 AromaticContact CE1-CG 3.97Å; Y51-Y64 HydrophobicContact CE1-CG 3.97Å; Y51-Y64 AromaticContact CE2-CD2 3.54Å; Y51-Y64 HydrophobicContact CE2-CD2 3.54Å; Y51-Y64 AromaticContact CE2-CE2 3.83Å; Y51-Y64 HydrophobicContact CE2-CE2 3.83Å; Y51-Y64 HydrophobicContact CG-CD2 4.01Å; Y51-Y64 AromaticContact CZ-CD2 3.39Å; Y51-Y64 AromaticContact CZ-CE2 3.99Å; Y51-C107 CarbonylContact O-C 3.55Å; Y51-C107 WeakPolarHBondContact O-CA 3.33Å; Y51-S108 PolarHBondContact N-O 2.85Å; Y51-S108 PolarHBondContact O-N 2.87Å; Y51-V110 HydrophobicContact CD2-CG2 3.68Å; Y51-V110 HydrophobicContact CE2-CG2 3.66Å
52L93.7Very high89.3Confident0 Ų062.7 Ų62.70%035%0.353CS..EExtended strand (participates in β ladder)trans-92.4122.4154-173.965000107.9I39 V62 T63 I92 Y105I39-L52 HydrophobicContact CD1-CD1 4.3Å; I39-L52 HydrophobicContact CD1-CD2 4.15Å; I39-L52 HydrophobicContact CG2-CD1 4.17Å; L52-V62 HydrophobicContact CB-CB 4.2Å; L52-V62 HydrophobicContact CD2-CB 4.16Å; L52-V62 HydrophobicContact CD2-CG1 3.9Å; L52-V62 HydrophobicContact CG-CB 4.14Å; L52-V62 HydrophobicContact CG-CG1 4.44Å; L52-V62 HydrophobicContact CG-CG2 4.5Å; L52-V62 WeakPolarHBondContact O-CB 3.37Å; L52-V62 PolarHBondContact O-N 3.34Å; L52-T63 HydrophobicContact CB-CG2 3.55Å; L52-T63 HydrophobicContact CD2-CG2 4.21Å; L52-T63 PolarHBondContact N-O 2.64Å; L52-T63 PolarHBondContact O-N 3.21Å; L52-I92 HydrophobicContact CB-CD1 3.88Å; L52-I92 HydrophobicContact CD1-CD1 4.41Å; L52-I92 HydrophobicContact CD2-CD1 4.1Å; L52-I92 HydrophobicContact CD2-CG2 4.12Å; L52-I92 HydrophobicContact CG-CD1 4.36Å; L52-Y105 HydrophobicContact CD2-CD1 4.36Å; L52-Y105 HydrophobicContact CG-CD1 4.35Å
53K93.5Very high89.7Confident72 Ų7259.7 Ų59.731%0.31333%0.332SS..EExtended strand (participates in β ladder)trans-114.6138.2179.4-65.4173.9179.5165.70109.3S60 Y105 T106 S108K53-S60 CarbonylContact C-O 3.49Å; K53-S60 WeakPolarHBondContact CA-O 3.45Å; K53-Y105 CarbonylContact O-C 3.59Å; K53-Y105 VanDerWaalsContact O-CA 3.28Å; K53-Y105 WeakPolarHBondContact O-CA 3.31Å; K53-T106 PolarHBondContact N-O 3.08Å; K53-T106 PolarHBondContact O-N 3.08Å; K53-S108 PolarHBondContact NZ-OG 3.41Å
54Q91.6Very high90.4Very high2 Ų260.8 Ų60.81%0.00933%0.334CS..EExtended strand (participates in β ladder)trans-95.2130.5163.8-174.2-177.430.400107.6W56 A59 S60 V62 I102 I104 Y105Q54-W56 WeakPolarHBondContact CG-O 3.28Å; Q54-W56 PolarHBondContact NE2-O 2.9Å; Q54-W56 VanDerWaalsContact NE2-O 3.09Å; Q54-A59 CarbonylContact O-C 3.49Å; Q54-A59 WeakPolarHBondContact O-CA 3.45Å; Q54-S60 PolarHBondContact N-O 3.38Å; Q54-S60 PolarHBondContact O-N 2.85Å; Q54-S60 PolarHBondContact OE1-OG 3.21Å; Q54-V62 HydrophobicContact CB-CG2 3.99Å; Q54-I102 PolarHBondContact NE2-O 2.79Å; Q54-I104 CarbonylContact C-O 3.55Å; Q54-I104 VanDerWaalsContact CA-O 3.25Å; Q54-I104 WeakPolarHBondContact CA-O 2.86Å; Q54-Y105 HydrophobicContact CB-CD1 4.05Å; Q54-Y105 HydrophobicContact CB-CE1 3.88Å; Q54-Y105 HydrophobicContact CG-CD1 4.41Å; Q54-Y105 HydrophobicContact CG-CE1 4.05Å
55S89.6Confident91.2Very high67 Ų6756.6 Ų56.647%0.46930%0.302SS..EExtended strand (participates in β ladder)trans-103.5-20.6177.5600000113.5I104S55-I104 PolarHBondContact N-O 2.68Å; S55-I104 WeakPolarHBondContact OG-CB 3.26Å; S55-I104 WeakPolarHBondContact OG-CG2 3.24Å
56W87.4Confident91.9Very high146 Ų14656.5 Ų56.555%0.55329%0.289SS*.EExtended strand (participates in β ladder)trans-141143.5177.3-174.191.8000110.2Q54 I102 G103 I104Q54-W56 WeakPolarHBondContact CG-O 3.28Å; Q54-W56 PolarHBondContact NE2-O 2.9Å; Q54-W56 VanDerWaalsContact NE2-O 3.09Å; W56-I102 HydrophobicContact CZ3-CG2 4Å; W56-G103 WeakPolarHBondContact O-CA 3.48Å; W56-I104 HydrophobicContact CB-CB 4.17Å; W56-I104 HydrophobicContact CB-CD1 4.03Å; W56-I104 HydrophobicContact CB-CG1 4.14Å; W56-I104 PolarHBondContact O-N 3.24Å
57P85.9Confident92.4Very high80 Ų8053.7 Ų53.752%0.51927%0.274SS..SBendcis-75.2-19.2330.4-36000114.4I102P57-I102 WeakPolarHBondContact CD-O 3.36Å
58Q88.3Confident92.7Very high149 Ų14956.8 Ų56.870%0.69631%0.313SS*.SBendtrans-134.9137.3174.9-172.7176.119.100110.2S60Q58-S60 PolarHBondContact O-N 3.19Å
59A92.3Very high93Very high84 Ų8458.5 Ų58.569%0.69432%0.319SS*.  trans-63.8120.9177.400000110.9Q54Q54-A59 CarbonylContact O-C 3.49Å; Q54-A59 WeakPolarHBondContact O-CA 3.45Å
60S93.3Very high93.2Very high34 Ų3467.1 Ų67.124%0.23836%0.359CS..EExtended strand (participates in β ladder)trans-149.9154.5177.6640000112K53 Q54 Q58K53-S60 CarbonylContact C-O 3.49Å; K53-S60 WeakPolarHBondContact CA-O 3.45Å; Q54-S60 PolarHBondContact N-O 3.38Å; Q54-S60 PolarHBondContact O-N 2.85Å; Q54-S60 PolarHBondContact OE1-OG 3.21Å; Q58-S60 PolarHBondContact O-N 3.19Å
61K94.7Very high93.4Very high122 Ų12269.1 Ų69.153%0.5337%0.372SS..EExtended strand (participates in β ladder)trans-90.2116.4169.3-67.2176.5176.8-175.60107.3Y51Y51-K61 HydrophobicContact CD1-CB 4.42Å; Y51-K61 HydrophobicContact CD1-CD 3.99Å; Y51-K61 HydrophobicContact CD1-CG 4.22Å; Y51-K61 HydrophobicContact CE1-CD 3.71Å; Y51-K61 HydrophobicContact CE1-CG 4.44Å
62V95.4Very high93.5Very high0 Ų070.8 Ų70.80%039%0.389CS..EExtended strand (participates in β ladder)trans-81.8-47.9-177.6176.40000110.3L52 Q54 D74 F77 Y105L52-V62 HydrophobicContact CB-CB 4.2Å; L52-V62 HydrophobicContact CD2-CB 4.16Å; L52-V62 HydrophobicContact CD2-CG1 3.9Å; L52-V62 HydrophobicContact CG-CB 4.14Å; L52-V62 HydrophobicContact CG-CG1 4.44Å; L52-V62 HydrophobicContact CG-CG2 4.5Å; L52-V62 WeakPolarHBondContact O-CB 3.37Å; L52-V62 PolarHBondContact O-N 3.34Å; Q54-V62 HydrophobicContact CB-CG2 3.99Å; V62-D74 WeakPolarHBondContact O-CB 3.25Å; V62-D74 PolarHBondContact O-N 3.23Å; V62-F77 HydrophobicContact CB-CE2 4.16Å; V62-F77 HydrophobicContact CG1-CD2 3.69Å; V62-F77 HydrophobicContact CG1-CE2 3.59Å; V62-F77 HydrophobicContact CG1-CG 4.17Å; V62-F77 HydrophobicContact CG1-CZ 4.08Å; V62-F77 HydrophobicContact CG2-CE2 3.89Å; V62-F77 HydrophobicContact CG2-CZ 4.25Å; V62-Y105 HydrophobicContact CG2-CD1 3.96Å; V62-Y105 HydrophobicContact CG2-CE1 3.75Å
63T97.1Very high93.7Very high5 Ų573 Ų733%0.03140%0.402CS..EExtended strand (participates in β ladder)trans-152.8156.6177.6170.80000111.8Y51 L52 T72 F83 I92Y51-T63 VanDerWaalsContact CA-O 3.3Å; Y51-T63 WeakPolarHBondContact CA-O 3.39Å; L52-T63 HydrophobicContact CB-CG2 3.55Å; L52-T63 HydrophobicContact CD2-CG2 4.21Å; L52-T63 PolarHBondContact N-O 2.64Å; L52-T63 PolarHBondContact O-N 3.21Å; T63-T72 CarbonylContact C-O 3.48Å; T63-T72 WeakPolarHBondContact CA-O 3.39Å; T63-T72 VanDerWaalsContact CB-O 3.28Å; T63-T72 WeakPolarHBondContact CB-O 3.5Å; T63-T72 PolarHBondContact OG1-O 2.77Å; T63-F83 HydrophobicContact CG2-CE1 3.84Å; T63-F83 HydrophobicContact CG2-CZ 3.93Å; T63-F83 WeakPolarHBondContact OG1-CE1 3.12Å; T63-F83 WeakPolarHBondContact OG1-CZ 3.09Å; T63-I92 HydrophobicContact CG2-CD1 4.2Å; T63-I92 HydrophobicContact CG2-CG2 4.46Å
64Y96.7Very high93.9Very high46 Ų4672.7 Ų72.718%0.1840%0.404CS..EExtended strand (participates in β ladder)trans-120.2129.8163.2178.9-101.5000110Q48 G49 I50 Y51 E66 P71 T72 V110Q48-Y64 PolarHBondContact O-OH 2.81Å; Q48-Y64 VanDerWaalsContact O-OH 3.11Å; G49-Y64 WeakPolarHBondContact CA-OH 3.4Å; I50-Y64 WeakPolarHBondContact O-CA 3.25Å; Y51-Y64 AromaticContact CD1-CD2 3.87Å; Y51-Y64 HydrophobicContact CD1-CD2 3.87Å; Y51-Y64 HydrophobicContact CD1-CG 4.37Å; Y51-Y64 AromaticContact CD2-CD2 3.85Å; Y51-Y64 HydrophobicContact CD2-CD2 3.85Å; Y51-Y64 HydrophobicContact CD2-CE2 4.3Å; Y51-Y64 AromaticContact CE1-CD2 3.58Å; Y51-Y64 HydrophobicContact CE1-CD2 3.58Å; Y51-Y64 AromaticContact CE1-CG 3.97Å; Y51-Y64 HydrophobicContact CE1-CG 3.97Å; Y51-Y64 AromaticContact CE2-CD2 3.54Å; Y51-Y64 HydrophobicContact CE2-CD2 3.54Å; Y51-Y64 AromaticContact CE2-CE2 3.83Å; Y51-Y64 HydrophobicContact CE2-CE2 3.83Å; Y51-Y64 HydrophobicContact CG-CD2 4.01Å; Y51-Y64 AromaticContact CZ-CD2 3.39Å; Y51-Y64 AromaticContact CZ-CE2 3.99Å; Y64-E66 HydrophobicContact CE1-CB 3.87Å; Y64-E66 PolarHBondContact OH-OE2 2.94Å; Y64-P71 WeakPolarHBondContact O-CA 3.44Å; Y64-T72 PolarHBondContact N-O 2.64Å; Y64-T72 PolarHBondContact O-N 3.15Å; Y64-V110 HydrophobicContact CE2-CG2 4.34Å
65F96.3Very high94.1Very high22 Ų2281.8 Ų81.810%0.09644%0.443CS..EExtended strand (participates in β ladder)trans-121.1136.8178179.4-87.6000110.6G49 I50 D67 P71 F83 Q87 L90G49-F65 CarbonylContact C-O 3.46Å; G49-F65 VanDerWaalsContact CA-O 3.24Å; G49-F65 WeakPolarHBondContact CA-O 3.36Å; I50-F65 PolarHBondContact N-O 2.88Å; I50-F65 PolarHBondContact O-N 3.37Å; F65-D67 VanDerWaalsContact CE1-OD1 3.28Å; F65-D67 WeakPolarHBondContact CE1-OD1 3.2Å; F65-P71 HydrophobicContact CD2-CB 4.3Å; F65-F83 HydrophobicContact CB-CD1 4.29Å; F65-F83 HydrophobicContact CB-CE1 4.27Å; F65-F83 HydrophobicContact CD2-CB 3.98Å; F65-F83 AromaticContact CD2-CD1 3.6Å; F65-F83 HydrophobicContact CD2-CD1 3.6Å; F65-F83 HydrophobicContact CD2-CE1 4.27Å; F65-F83 AromaticContact CD2-CG 3.76Å; F65-F83 HydrophobicContact CD2-CG 3.76Å; F65-F83 HydrophobicContact CE2-CB 3.85Å; F65-F83 HydrophobicContact CE2-CD1 4.33Å; F65-F83 HydrophobicContact CE2-CG 4.15Å; F65-F83 HydrophobicContact CG-CD1 4.22Å; F65-Q87 HydrophobicContact CD1-CG 4.46Å; F65-Q87 HydrophobicContact CE1-CB 4.34Å; F65-L90 HydrophobicContact CB-CD2 3.75Å; F65-L90 HydrophobicContact CD1-CD1 3.8Å; F65-L90 HydrophobicContact CD1-CD2 3.68Å; F65-L90 HydrophobicContact CD1-CG 4.33Å; F65-L90 HydrophobicContact CD2-CD1 4Å; F65-L90 HydrophobicContact CD2-CD2 4.44Å; F65-L90 HydrophobicContact CE1-CD1 3.74Å; F65-L90 HydrophobicContact CE1-CD2 4.42Å; F65-L90 HydrophobicContact CE2-CD1 3.94Å; F65-L90 HydrophobicContact CG-CD1 3.93Å; F65-L90 HydrophobicContact CG-CD2 3.69Å; F65-L90 HydrophobicContact CG-CG 4.49Å; F65-L90 HydrophobicContact CZ-CD1 3.81Å
66E95.4Very high94.4Very high45 Ų4582.4 Ų82.421%0.2144%0.435CS..  trans-142.4134.8173.1176.6172.5170.600109.1Q48 Y64 G68 K69Q48-E66 WeakPolarHBondContact O-CG 3.21Å; Y64-E66 HydrophobicContact CE1-CB 3.87Å; Y64-E66 PolarHBondContact OH-OE2 2.94Å; E66-G68 PolarHBondContact O-N 3.08Å; E66-K69 HydrophobicContact CB-CB 4.36Å; E66-K69 HydrophobicContact CB-CD 4.42Å; E66-K69 VanDerWaalsContact CD-CD 3.5Å; E66-K69 VanDerWaalsContact CD-CE 3.46Å; E66-K69 HydrophobicContact CG-CD 4.05Å; E66-K69 HydrophobicContact CG-CG 4.32Å; E66-K69 PolarHBondContact O-N 2.66Å; E66-K69 VanDerWaalsContact O-N 3.17Å; E66-K69 WeakPolarHBondContact OE1-CE 3.31Å; E66-K69 IonicContact OE1-NZ 2.65Å; E66-K69 PolarHBondContact OE1-NZ 3.06Å; E66-K69 WeakPolarHBondContact OE2-CD 3.33Å; E66-K69 IonicContact OE2-NZ 2.91Å; E66-K69 PolarHBondContact OE2-NZ 3.12Å
67D93.5Very high94.7Very high78 Ų7875.5 Ų75.542%0.41741%0.409SS..THydrogen-bonded Turntrans-58.3131.4-178.5-75.7-29.7000111.3F65 K69 S86 Q87F65-D67 VanDerWaalsContact CE1-OD1 3.28Å; F65-D67 WeakPolarHBondContact CE1-OD1 3.2Å; D67-K69 VanDerWaalsContact C-N 3.26Å; D67-K69 PolarHBondContact O-N 3.28Å; D67-S86 WeakPolarHBondContact OD1-CA 3.4Å; D67-Q87 PolarHBondContact OD1-N 3.44Å; D67-Q87 VanDerWaalsContact OD1-N 3.08Å; D67-Q87 WeakPolarHBondContact OD2-CB 3.45Å; D67-Q87 PolarHBondContact OD2-N 2.78Å
68G94.1Very high95.2Very high94 Ų9476 Ų7697%0.96942%0.415SS*.THydrogen-bonded Turntrans75.65.2179.100000115.4E66E66-G68 PolarHBondContact O-N 3.08Å
69K95.9Very high95.5Very high123 Ų12371.8 Ų71.854%0.53541%0.411SS..SBendtrans-119.3158175.3-63.6-170.3-171.7162.70111.9E66 D67E66-K69 HydrophobicContact CB-CB 4.36Å; E66-K69 HydrophobicContact CB-CD 4.42Å; E66-K69 VanDerWaalsContact CD-CD 3.5Å; E66-K69 VanDerWaalsContact CD-CE 3.46Å; E66-K69 HydrophobicContact CG-CD 4.05Å; E66-K69 HydrophobicContact CG-CG 4.32Å; E66-K69 PolarHBondContact O-N 2.66Å; E66-K69 VanDerWaalsContact O-N 3.17Å; E66-K69 WeakPolarHBondContact OE1-CE 3.31Å; E66-K69 IonicContact OE1-NZ 2.65Å; E66-K69 PolarHBondContact OE1-NZ 3.06Å; E66-K69 WeakPolarHBondContact OE2-CD 3.33Å; E66-K69 IonicContact OE2-NZ 2.91Å; E66-K69 PolarHBondContact OE2-NZ 3.12Å; D67-K69 VanDerWaalsContact C-N 3.26Å; D67-K69 PolarHBondContact O-N 3.28Å
70E96.1Very high95.8Very high181 Ų18168.2 Ų68.285%0.84638%0.38SS*.PPolyproline II helixtrans-68.6127.1173.3-169.4172.8-174.200110.1
71P96.4Very high96Very high44 Ų4467.3 Ų67.329%0.28637%0.372SS..PPolyproline II helixtrans-72.3147.4-17929.1-34000111.2Y64 F65 F83Y64-P71 WeakPolarHBondContact O-CA 3.44Å; F65-P71 HydrophobicContact CD2-CB 4.3Å; P71-F83 HydrophobicContact CB-CD2 4.02Å; P71-F83 HydrophobicContact CB-CE2 3.62Å; P71-F83 HydrophobicContact CB-CZ 3.93Å; P71-F83 HydrophobicContact CG-CD2 3.68Å; P71-F83 HydrophobicContact CG-CE2 3.55Å; P71-F83 HydrophobicContact CG-CZ 4.37Å
72T97.5Very high96.1Very high93 Ų9364.1 Ų64.157%0.57136%0.361SS*.EExtended strand (participates in β ladder)trans-94.4127.4174-560000109.5T63 Y64T63-T72 CarbonylContact C-O 3.48Å; T63-T72 WeakPolarHBondContact CA-O 3.39Å; T63-T72 VanDerWaalsContact CB-O 3.28Å; T63-T72 WeakPolarHBondContact CB-O 3.5Å; T63-T72 PolarHBondContact OG1-O 2.77Å; Y64-T72 PolarHBondContact N-O 2.64Å; Y64-T72 PolarHBondContact O-N 3.15Å
73V97.8Very high96.2Very high46 Ų4666.5 Ų66.528%0.27937%0.371SS..EExtended strand (participates in β ladder)trans-121.4133.8178.1-179.30000110F77 I81 F83V73-F77 HydrophobicContact CG1-CB 3.92Å; V73-I81 HydrophobicContact CG1-CB 4.19Å; V73-I81 HydrophobicContact CG1-CG1 3.71Å; V73-I81 HydrophobicContact CG2-CB 4.26Å; V73-F83 HydrophobicContact CG2-CE2 4.04Å; V73-F83 HydrophobicContact CG2-CZ 4.07Å
74D96.9Very high96.2Very high66 Ų6669.2 Ų69.235%0.35339%0.39SS..  trans-60.3142.2174.2-179.8-84.9000111.1V62 R76 F77 S78V62-D74 WeakPolarHBondContact O-CB 3.25Å; V62-D74 PolarHBondContact O-N 3.23Å; D74-R76 PolarHBondContact O-N 2.87Å; D74-R76 WeakPolarHBondContact OD1-CB 3.11Å; D74-R76 PolarHBondContact OD1-N 2.87Å; D74-F77 HydrophobicContact CB-CD2 4.23Å; D74-F77 PolarHBondContact O-N 3.09Å; D74-S78 PolarHBondContact O-N 3.25Å
75K96.3Very high96.1Very high193 Ų19370 Ų7084%0.83941%0.413SS*.G310 helixtrans-54.8-32.9-175.2-68.1-176.7179.9-179.50112.8F77 S78K75-F77 PolarHBondContact O-N 2.58Å; K75-S78 WeakPolarHBondContact O-CB 3.07Å; K75-S78 PolarHBondContact O-N 3.28Å
76R94.5Very high95.9Very high80 Ų8071.5 Ų71.530%0.30243%0.426SS..G310 helixtrans-60.7-27.3177.4-172.817864.6-174.9-3.7112.7D74 R80D74-R76 PolarHBondContact O-N 2.87Å; D74-R76 WeakPolarHBondContact OD1-CB 3.11Å; D74-R76 PolarHBondContact OD1-N 2.87Å; R76-R80 PolarHBondContact O-NH2 2.94Å
77F95.1Very high95.7Very high0 Ų069.7 Ų69.70%042%0.418CS..G310 helixtrans-111.112.1-179.1-55.1-86.3000113.7V62 V73 D74 K75 G79 R80 I81 M94 D101 Y105V62-F77 HydrophobicContact CB-CE2 4.16Å; V62-F77 HydrophobicContact CG1-CD2 3.69Å; V62-F77 HydrophobicContact CG1-CE2 3.59Å; V62-F77 HydrophobicContact CG1-CG 4.17Å; V62-F77 HydrophobicContact CG1-CZ 4.08Å; V62-F77 HydrophobicContact CG2-CE2 3.89Å; V62-F77 HydrophobicContact CG2-CZ 4.25Å; V73-F77 HydrophobicContact CG1-CB 3.92Å; D74-F77 HydrophobicContact CB-CD2 4.23Å; D74-F77 PolarHBondContact O-N 3.09Å; K75-F77 PolarHBondContact O-N 2.58Å; F77-G79 PolarHBondContact O-N 2.83Å; F77-R80 WeakPolarHBondContact O-CB 3.28Å; F77-R80 PolarHBondContact O-N 2.88Å; F77-I81 HydrophobicContact CB-CD1 3.91Å; F77-I81 HydrophobicContact CB-CG1 3.65Å; F77-I81 HydrophobicContact CD1-CD1 4.24Å; F77-I81 HydrophobicContact CG-CD1 4.28Å; F77-I81 HydrophobicContact CG-CG1 4.48Å; F77-M94 HydrophobicContact CD1-CE 3.79Å; F77-M94 HydrophobicContact CE1-CE 3.3Å; F77-M94 HydrophobicContact CZ-CE 4.05Å; F77-D101 HydrophobicContact CE1-CB 4.24Å; F77-D101 WeakPolarHBondContact CE1-OD1 3.05Å; F77-Y105 HydrophobicContact CZ-CE1 4.24Å
78S94.9Very high95.5Very high91 Ų9169.7 Ų69.764%0.63642%0.418SS*.THydrogen-bonded Turntrans-54.4131.1179.7-171.70000111.7D74 K75 R80D74-S78 PolarHBondContact O-N 3.25Å; K75-S78 WeakPolarHBondContact O-CB 3.07Å; K75-S78 PolarHBondContact O-N 3.28Å; S78-R80 PolarHBondContact O-N 2.82Å
79G96.1Very high95.4Very high60 Ų6069.7 Ų69.762%0.61940%0.395SS*.THydrogen-bonded Turntrans73-3.3-176.500000115.4F77 R95F77-G79 PolarHBondContact O-N 2.83Å; G79-R95 PolarHBondContact O-NH2 2.81Å
80R97.2Very high95.3Very high9 Ų963.9 Ų63.93%0.03437%0.37CS..SBendtrans-111.51.7-173.8-59.3-167.5-58.1126.2-2.9114.1R76 F77 S78 R95 L96 D101R76-R80 PolarHBondContact O-NH2 2.94Å; F77-R80 WeakPolarHBondContact O-CB 3.28Å; F77-R80 PolarHBondContact O-N 2.88Å; S78-R80 PolarHBondContact O-N 2.82Å; R80-R95 WeakPolarHBondContact CB-O 3.48Å; R80-R95 PolarHBondContact O-N 3.09Å; R80-L96 HydrophobicContact CG-CB 4.48Å; R80-L96 PolarHBondContact NH1-O 3.12Å; R80-D101 IonicContact CZ-OD1 3.85Å; R80-D101 IonicContact CZ-OD2 3.43Å; R80-D101 IonicContact NH1-OD1 2.64Å; R80-D101 IonicContact NH1-OD2 2.9Å; R80-D101 PolarHBondContact NH1-OD2 2.82Å; R80-D101 IonicContact NH2-OD1 2.94Å; R80-D101 PolarHBondContact NH2-OD1 2.85Å; R80-D101 IonicContact NH2-OD2 3.29Å; R80-D101 PolarHBondContact NH2-OD2 2.78Å
81I97.6Very high95.2Very high15 Ų1556.7 Ų56.78%0.07734%0.338CS..EExtended strand (participates in β ladder)trans-115.5128.8177.7-53.5-62.4000109.6V73 F77 F83 I92 T93 M94V73-I81 HydrophobicContact CG1-CB 4.19Å; V73-I81 HydrophobicContact CG1-CG1 3.71Å; V73-I81 HydrophobicContact CG2-CB 4.26Å; F77-I81 HydrophobicContact CB-CD1 3.91Å; F77-I81 HydrophobicContact CB-CG1 3.65Å; F77-I81 HydrophobicContact CD1-CD1 4.24Å; F77-I81 HydrophobicContact CG-CD1 4.28Å; F77-I81 HydrophobicContact CG-CG1 4.48Å; I81-F83 HydrophobicContact CB-CE2 4.42Å; I81-F83 HydrophobicContact CB-CZ 4.39Å; I81-F83 HydrophobicContact CG2-CD2 4.41Å; I81-F83 HydrophobicContact CG2-CE1 3.93Å; I81-F83 HydrophobicContact CG2-CE2 3.64Å; I81-F83 HydrophobicContact CG2-CZ 3.33Å; I81-I92 HydrophobicContact CG2-CG2 3.62Å; I81-T93 WeakPolarHBondContact CA-O 3.05Å; I81-M94 HydrophobicContact CD1-CB 4.21Å; I81-M94 HydrophobicContact CD1-CE 4.45Å; I81-M94 HydrophobicContact CD1-CG 3.7Å
82D97.6Very high95.2Very high56 Ų5654.6 Ų54.630%0.29933%0.325SS..EExtended strand (participates in β ladder)trans-116.6155.8166.4-54.5-44.2000110.6I92 T93 R95D82-I92 WeakPolarHBondContact O-CA 3.33Å; D82-T93 PolarHBondContact N-O 2.03Å; D82-T93 PolarHBondContact O-N 2.97Å; D82-R95 IonicContact OD1-CZ 2.66Å; D82-R95 IonicContact OD1-NE 3.15Å; D82-R95 IonicContact OD1-NH1 3.8Å; D82-R95 PolarHBondContact OD1-NH1 2.99Å; D82-R95 IonicContact OD1-NH2 2.8Å; D82-R95 PolarHBondContact OD1-NH2 2.97Å; D82-R95 WeakPolarHBondContact OD2-CD 3.46Å; D82-R95 IonicContact OD2-CZ 3.06Å; D82-R95 IonicContact OD2-NE 3.01Å; D82-R95 PolarHBondContact OD2-NE 3.33Å; D82-R95 VanDerWaalsContact OD2-NE 3.15Å; D82-R95 IonicContact OD2-NH1 3.78Å; D82-R95 PolarHBondContact OD2-NH1 2.95Å; D82-R95 IonicContact OD2-NH2 3.58Å
83F97.1Very high95.1Very high49 Ų4951.4 Ų51.422%0.21531%0.305CS..EExtended strand (participates in β ladder)trans-124140.7178.8-57-87.5000110T63 F65 P71 V73 I81 L90 I92T63-F83 HydrophobicContact CG2-CE1 3.84Å; T63-F83 HydrophobicContact CG2-CZ 3.93Å; T63-F83 WeakPolarHBondContact OG1-CE1 3.12Å; T63-F83 WeakPolarHBondContact OG1-CZ 3.09Å; F65-F83 HydrophobicContact CB-CD1 4.29Å; F65-F83 HydrophobicContact CB-CE1 4.27Å; F65-F83 HydrophobicContact CD2-CB 3.98Å; F65-F83 AromaticContact CD2-CD1 3.6Å; F65-F83 HydrophobicContact CD2-CD1 3.6Å; F65-F83 HydrophobicContact CD2-CE1 4.27Å; F65-F83 AromaticContact CD2-CG 3.76Å; F65-F83 HydrophobicContact CD2-CG 3.76Å; F65-F83 HydrophobicContact CE2-CB 3.85Å; F65-F83 HydrophobicContact CE2-CD1 4.33Å; F65-F83 HydrophobicContact CE2-CG 4.15Å; F65-F83 HydrophobicContact CG-CD1 4.22Å; P71-F83 HydrophobicContact CB-CD2 4.02Å; P71-F83 HydrophobicContact CB-CE2 3.62Å; P71-F83 HydrophobicContact CB-CZ 3.93Å; P71-F83 HydrophobicContact CG-CD2 3.68Å; P71-F83 HydrophobicContact CG-CE2 3.55Å; P71-F83 HydrophobicContact CG-CZ 4.37Å; V73-F83 HydrophobicContact CG2-CE2 4.04Å; V73-F83 HydrophobicContact CG2-CZ 4.07Å; I81-F83 HydrophobicContact CB-CE2 4.42Å; I81-F83 HydrophobicContact CB-CZ 4.39Å; I81-F83 HydrophobicContact CG2-CD2 4.41Å; I81-F83 HydrophobicContact CG2-CE1 3.93Å; I81-F83 HydrophobicContact CG2-CE2 3.64Å; I81-F83 HydrophobicContact CG2-CZ 3.33Å; F83-L90 HydrophobicContact CB-CD1 4.35Å; F83-L90 HydrophobicContact CD1-CD1 4.27Å; F83-I92 HydrophobicContact CD1-CG1 4.07Å; F83-I92 HydrophobicContact CD1-CG2 4.44Å; F83-I92 HydrophobicContact CE1-CD1 4.39Å; F83-I92 HydrophobicContact CE1-CG1 4.12Å; F83-I92 HydrophobicContact CE1-CG2 4.07Å
84S96.9Very high95Very high62 Ų6249.3 Ų49.343%0.43429%0.292SS..EExtended strand (participates in β ladder)trans-145.3151.3171.361.50000111.2T91S84-T91 PolarHBondContact N-O 2.93Å; S84-T91 PolarHBondContact O-N 3.02Å; S84-T91 WeakPolarHBondContact OG-CB 3.07Å
85G94.4Very high95Very high63 Ų6350.3 Ų50.365%0.64929%0.291SS*.EExtended strand (participates in β ladder)trans89.7-162.6-174.300000113.1
86S92.8Very high94.9Very high54 Ų5446.1 Ų46.138%0.37828%0.277SS..EExtended strand (participates in β ladder)trans-114.8171.6176.6650000110.2D67 N88 N89 L90D67-S86 WeakPolarHBondContact OD1-CA 3.4Å; S86-N88 PolarHBondContact O-N 2.96Å; S86-N88 VanDerWaalsContact O-N 3.11Å; S86-N89 CarbonylContact O-C 3.5Å; S86-N89 PolarHBondContact O-N 3.11Å; S86-L90 VanDerWaalsContact O-CA 3.29Å; S86-L90 WeakPolarHBondContact O-CA 3.36Å; S86-L90 WeakPolarHBondContact O-CB 3.29Å; S86-L90 PolarHBondContact O-N 3.08Å
87Q91.1Very high94.8Very high7 Ų742.6 Ų42.63%0.03327%0.265CS..THydrogen-bonded Turntrans-57.1-31.4-178.1-157.9169.7-50.700114L47 Q48 G49 I50 F65 D67 N89L47-Q87 HydrophobicContact CB-CG 4.24Å; L47-Q87 HydrophobicContact CD1-CG 4.13Å; L47-Q87 PolarHBondContact O-NE2 3.37Å; Q48-Q87 VanDerWaalsContact C-NE2 3.26Å; G49-Q87 VanDerWaalsContact C-NE2 3.34Å; G49-Q87 VanDerWaalsContact CA-CD 3.5Å; I50-Q87 HydrophobicContact CB-CG 4.49Å; I50-Q87 HydrophobicContact CD1-CG 3.74Å; I50-Q87 WeakPolarHBondContact CD1-O 3.3Å; I50-Q87 HydrophobicContact CG1-CG 3.69Å; F65-Q87 HydrophobicContact CD1-CG 4.46Å; F65-Q87 HydrophobicContact CE1-CB 4.34Å; D67-Q87 PolarHBondContact OD1-N 3.44Å; D67-Q87 VanDerWaalsContact OD1-N 3.08Å; D67-Q87 WeakPolarHBondContact OD2-CB 3.45Å; D67-Q87 PolarHBondContact OD2-N 2.78Å; Q87-N89 VanDerWaalsContact C-N 3.32Å; Q87-N89 PolarHBondContact O-N 3.47Å
88N89.1Confident94.7Very high78 Ų7848.9 Ų48.942%0.41729%0.288SS..THydrogen-bonded Turntrans-75.9-21.4178.1-68.4-13.9000113.5T43 L47 S86T43-N88 PolarHBondContact N-O 2.82Å; T43-N88 VanDerWaalsContact O-CA 3.29Å; T43-N88 WeakPolarHBondContact O-CA 3.29Å; T43-N88 WeakPolarHBondContact O-CB 2.88Å; T43-N88 VanDerWaalsContact O-O 3.06Å; L47-N88 WeakPolarHBondContact CD1-OD1 3.48Å; S86-N88 PolarHBondContact O-N 2.96Å; S86-N88 VanDerWaalsContact O-N 3.11Å
89N92Very high94.3Very high94 Ų9451 Ų5150%0.50329%0.286SS..EExtended strand (participates in β ladder)trans-144.668.3178.7-168.511.9000109.5S86 Q87S86-N89 CarbonylContact O-C 3.5Å; S86-N89 PolarHBondContact O-N 3.11Å; Q87-N89 VanDerWaalsContact C-N 3.32Å; Q87-N89 PolarHBondContact O-N 3.47Å
90L93.2Very high94Very high0 Ų052.4 Ų52.40%028%0.283CS..EExtended strand (participates in β ladder)trans-90.2130.2-172.9179.365.8000109.5C41 I50 F65 F83 S86 I92C41-L90 HydrophobicContact CB-CB 4.3Å; C41-L90 PolarHBondContact N-O 3.4Å; C41-L90 PolarHBondContact O-N 3.45Å; I50-L90 HydrophobicContact CB-CD2 4.37Å; I50-L90 HydrophobicContact CG2-CD2 4.31Å; F65-L90 HydrophobicContact CB-CD2 3.75Å; F65-L90 HydrophobicContact CD1-CD1 3.8Å; F65-L90 HydrophobicContact CD1-CD2 3.68Å; F65-L90 HydrophobicContact CD1-CG 4.33Å; F65-L90 HydrophobicContact CD2-CD1 4Å; F65-L90 HydrophobicContact CD2-CD2 4.44Å; F65-L90 HydrophobicContact CE1-CD1 3.74Å; F65-L90 HydrophobicContact CE1-CD2 4.42Å; F65-L90 HydrophobicContact CE2-CD1 3.94Å; F65-L90 HydrophobicContact CG-CD1 3.93Å; F65-L90 HydrophobicContact CG-CD2 3.69Å; F65-L90 HydrophobicContact CG-CG 4.49Å; F65-L90 HydrophobicContact CZ-CD1 3.81Å; F83-L90 HydrophobicContact CB-CD1 4.35Å; F83-L90 HydrophobicContact CD1-CD1 4.27Å; S86-L90 VanDerWaalsContact O-CA 3.29Å; S86-L90 WeakPolarHBondContact O-CA 3.36Å; S86-L90 WeakPolarHBondContact O-CB 3.29Å; S86-L90 PolarHBondContact O-N 3.08Å; L90-I92 HydrophobicContact CD2-CD1 3.97Å; L90-I92 HydrophobicContact CD2-CG1 3.87Å; L90-I92 HydrophobicContact CG-CG1 3.93Å
91T95Very high93.7Very high30 Ų3052 Ų5218%0.18428%0.281CS..EExtended strand (participates in β ladder)trans-109.5120.2168.6-570000109.3N38 I39 T40 S84N38-T91 HydrophobicContact CB-CG2 4.03Å; I39-T91 WeakPolarHBondContact O-CA 3.33Å; T40-T91 HydrophobicContact CG2-CG2 4.2Å; S84-T91 PolarHBondContact N-O 2.93Å; S84-T91 PolarHBondContact O-N 3.02Å; S84-T91 WeakPolarHBondContact OG-CB 3.07Å
92I95.8Very high93.2Very high1 Ų154.3 Ų54.31%0.00529%0.293CS..EExtended strand (participates in β ladder)trans-104.2115.8177.6-52.7175.5000107.8I39 L52 T63 I81 D82 F83 L90I39-I92 HydrophobicContact CB-CB 4.48Å; I39-I92 PolarHBondContact N-O 2.74Å; I39-I92 PolarHBondContact O-N 3.38Å; L52-I92 HydrophobicContact CB-CD1 3.88Å; L52-I92 HydrophobicContact CD1-CD1 4.41Å; L52-I92 HydrophobicContact CD2-CD1 4.1Å; L52-I92 HydrophobicContact CD2-CG2 4.12Å; L52-I92 HydrophobicContact CG-CD1 4.36Å; T63-I92 HydrophobicContact CG2-CD1 4.2Å; T63-I92 HydrophobicContact CG2-CG2 4.46Å; I81-I92 HydrophobicContact CG2-CG2 3.62Å; D82-I92 WeakPolarHBondContact O-CA 3.33Å; F83-I92 HydrophobicContact CD1-CG1 4.07Å; F83-I92 HydrophobicContact CD1-CG2 4.44Å; F83-I92 HydrophobicContact CE1-CD1 4.39Å; F83-I92 HydrophobicContact CE1-CG1 4.12Å; F83-I92 HydrophobicContact CE1-CG2 4.07Å; L90-I92 HydrophobicContact CD2-CD1 3.97Å; L90-I92 HydrophobicContact CD2-CG1 3.87Å; L90-I92 HydrophobicContact CG-CG1 3.93Å
93T96.2Very high92.8Very high26 Ų2651.8 Ų51.816%0.1628%0.28CS..EExtended strand (participates in β ladder)trans-97.2118177.7-61.50000109.7V37 N38 I81 D82 R95V37-T93 CarbonylContact O-C 3.01Å; V37-T93 WeakPolarHBondContact O-CA 3.36Å; N38-T93 WeakPolarHBondContact OD1-CB 3.43Å; N38-T93 VanDerWaalsContact OD1-CG2 3.3Å; N38-T93 WeakPolarHBondContact OD1-CG2 3.38Å; N38-T93 PolarHBondContact OD1-OG1 2.96Å; I81-T93 WeakPolarHBondContact CA-O 3.05Å; D82-T93 PolarHBondContact N-O 2.03Å; D82-T93 PolarHBondContact O-N 2.97Å; T93-R95 HydrophobicContact CG2-CG 3.96Å
94M95.5Very high92.4Very high1 Ų151.4 Ų51.41%0.00528%0.28CS..EExtended strand (participates in β ladder)trans-95.4115.3172.1-58.3-177.76500108.9S36 V37 I39 F77 I81 L97 Y105S36-M94 CarbonylContact C-O 3.5Å; S36-M94 WeakPolarHBondContact CA-O 3.41Å; S36-M94 WeakPolarHBondContact CB-O 3.44Å; V37-M94 HydrophobicContact CG2-CB 3.94Å; V37-M94 HydrophobicContact CG2-CG 4.49Å; V37-M94 PolarHBondContact N-O 2.78Å; V37-M94 PolarHBondContact O-N 2.98Å; I39-M94 HydrophobicContact CD1-CG 4.39Å; I39-M94 HydrophobicContact CD1-SD 3.66Å; F77-M94 HydrophobicContact CD1-CE 3.79Å; F77-M94 HydrophobicContact CE1-CE 3.3Å; F77-M94 HydrophobicContact CZ-CE 4.05Å; I81-M94 HydrophobicContact CD1-CB 4.21Å; I81-M94 HydrophobicContact CD1-CE 4.45Å; I81-M94 HydrophobicContact CD1-CG 3.7Å; M94-L97 HydrophobicContact CB-CD2 4.05Å; M94-L97 HydrophobicContact CE-CD2 4.44Å; M94-Y105 HydrophobicContact CE-CE1 3.97Å; M94-Y105 HydrophobicContact SD-CE1 4.28Å
95R96.1Very high92.1Very high88 Ų8848.4 Ų48.433%0.33226%0.259SS..  trans-102162-178.1-57.3-173.9-65.2-150.8-5.4112.5S36 G79 R80 D82 T93 L97S36-R95 WeakPolarHBondContact OG-CA 3.12Å; G79-R95 PolarHBondContact O-NH2 2.81Å; R80-R95 WeakPolarHBondContact CB-O 3.48Å; R80-R95 PolarHBondContact O-N 3.09Å; D82-R95 IonicContact OD1-CZ 2.66Å; D82-R95 IonicContact OD1-NE 3.15Å; D82-R95 IonicContact OD1-NH1 3.8Å; D82-R95 PolarHBondContact OD1-NH1 2.99Å; D82-R95 IonicContact OD1-NH2 2.8Å; D82-R95 PolarHBondContact OD1-NH2 2.97Å; D82-R95 WeakPolarHBondContact OD2-CD 3.46Å; D82-R95 IonicContact OD2-CZ 3.06Å; D82-R95 IonicContact OD2-NE 3.01Å; D82-R95 PolarHBondContact OD2-NE 3.33Å; D82-R95 VanDerWaalsContact OD2-NE 3.15Å; D82-R95 IonicContact OD2-NH1 3.78Å; D82-R95 PolarHBondContact OD2-NH1 2.95Å; D82-R95 IonicContact OD2-NH2 3.58Å; T93-R95 HydrophobicContact CG2-CG 3.96Å; R95-L97 VanDerWaalsContact C-N 3.26Å; R95-L97 PolarHBondContact O-N 2.94Å
96L95.5Very high91.8Very high104 Ų10446.5 Ų46.555%0.54524%0.235SC..SBendtrans49.352.5172.9-58.4174.1000110.5E35 R80E35-L96 PolarHBondContact O-N 2.73Å; E35-L96 VanDerWaalsContact O-N 3.12Å; R80-L96 HydrophobicContact CG-CB 4.48Å; R80-L96 PolarHBondContact NH1-O 3.12Å
97L92.5Very high91.7Very high6 Ų644 Ų443%0.03122%0.218CC..  trans-57.3143.9-176.5-71.9171.9000111A31 E33 G34 E35 V37 M94 R95 D101 V124A31-L97 HydrophobicContact CB-CD1 3.48Å; A31-L97 VanDerWaalsContact CB-CD1 3.48Å; E33-L97 CarbonylContact C-O 3.58Å; E33-L97 WeakPolarHBondContact CA-O 3.29Å; E33-L97 WeakPolarHBondContact CG-O 3.3Å; G34-L97 PolarHBondContact N-O 2.99Å; E35-L97 WeakPolarHBondContact O-CG 3.43Å; E35-L97 PolarHBondContact O-N 3.43Å; V37-L97 HydrophobicContact CB-CD1 4.43Å; V37-L97 HydrophobicContact CG1-CD1 3.79Å; V37-L97 HydrophobicContact CG2-CD1 4.01Å; V37-L97 HydrophobicContact CG2-CD2 4.24Å; M94-L97 HydrophobicContact CB-CD2 4.05Å; M94-L97 HydrophobicContact CE-CD2 4.44Å; R95-L97 VanDerWaalsContact C-N 3.26Å; R95-L97 PolarHBondContact O-N 2.94Å; L97-D101 HydrophobicContact CD2-CB 4.3Å; L97-V124 HydrophobicContact CD1-CG1 4.31Å
98R92.1Very high91.6Very high132 Ų13244.3 Ų44.350%0.49822%0.22SC..  trans-121.8159178.5-58.5174.9-178.4177.1-1.2109T100 D101R98-T100 PolarHBondContact O-N 3.13Å; R98-T100 VanDerWaalsContact O-N 3.08Å; R98-D101 WeakPolarHBondContact CB-OD2 3.44Å; R98-D101 PolarHBondContact N-OD2 2.77Å; R98-D101 WeakPolarHBondContact O-CB 3.43Å; R98-D101 PolarHBondContact O-N 3.22Å
99K87.3Confident91.6Very high135 Ų13540.7 Ų40.759%0.58720%0.201SC*.G310 helixtrans-56-29.3174.6-63.4-171.2179.9-169.60113.4E33 D101 I102E33-K99 WeakPolarHBondContact OE2-CE 3.42Å; K99-D101 PolarHBondContact O-N 2.91Å; K99-I102 WeakPolarHBondContact O-CD1 3.39Å; K99-I102 VanDerWaalsContact O-CG1 3.25Å; K99-I102 WeakPolarHBondContact O-CG1 3.48Å; K99-I102 PolarHBondContact O-N 2.99Å
100T89.3Confident91.4Very high90 Ų9037.6 Ų37.655%0.55219%0.186SC*.G310 helixtrans-73.5-12.5176.755.80000114.2R98 I102R98-T100 PolarHBondContact O-N 3.13Å; R98-T100 VanDerWaalsContact O-N 3.08Å; T100-I102 VanDerWaalsContact C-N 3.32Å
101D90.1Very high91Very high1 Ų139.7 Ų39.71%0.00520%0.199CC..G310 helixtrans-89.5-0.7178.8-52.8-37.9000112F77 R80 L97 R98 K99 G103 Y105F77-D101 HydrophobicContact CE1-CB 4.24Å; F77-D101 WeakPolarHBondContact CE1-OD1 3.05Å; R80-D101 IonicContact CZ-OD1 3.85Å; R80-D101 IonicContact CZ-OD2 3.43Å; R80-D101 IonicContact NH1-OD1 2.64Å; R80-D101 IonicContact NH1-OD2 2.9Å; R80-D101 PolarHBondContact NH1-OD2 2.82Å; R80-D101 IonicContact NH2-OD1 2.94Å; R80-D101 PolarHBondContact NH2-OD1 2.85Å; R80-D101 IonicContact NH2-OD2 3.29Å; R80-D101 PolarHBondContact NH2-OD2 2.78Å; L97-D101 HydrophobicContact CD2-CB 4.3Å; R98-D101 WeakPolarHBondContact CB-OD2 3.44Å; R98-D101 PolarHBondContact N-OD2 2.77Å; R98-D101 WeakPolarHBondContact O-CB 3.43Å; R98-D101 PolarHBondContact O-N 3.22Å; K99-D101 PolarHBondContact O-N 2.91Å; D101-G103 PolarHBondContact O-N 2.84Å; D101-Y105 VanDerWaalsContact O-CE2 3.31Å; D101-Y105 WeakPolarHBondContact O-CE2 3.18Å; D101-Y105 PolarHBondContact O-OH 3.04Å
102I88Confident89.9Confident64 Ų6445.8 Ų45.833%0.32822%0.223SC..  trans-58.9128.1171.6-64.7173.2000108.2Q54 W56 P57 K99 T100 V124Q54-I102 PolarHBondContact NE2-O 2.79Å; W56-I102 HydrophobicContact CZ3-CG2 4Å; P57-I102 WeakPolarHBondContact CD-O 3.36Å; K99-I102 WeakPolarHBondContact O-CD1 3.39Å; K99-I102 VanDerWaalsContact O-CG1 3.25Å; K99-I102 WeakPolarHBondContact O-CG1 3.48Å; K99-I102 PolarHBondContact O-N 2.99Å; T100-I102 VanDerWaalsContact C-N 3.32Å; I102-V124 WeakPolarHBondContact CG2-O 3.44Å
103G88.8Confident88.4Confident2 Ų253 Ų532%0.02126%0.261CS..SBendtrans-179.4171.6-17300000115W56 D101 V122 V124W56-G103 WeakPolarHBondContact O-CA 3.48Å; D101-G103 PolarHBondContact O-N 2.84Å; G103-V122 VanDerWaalsContact O-O 3.1Å; G103-V124 PolarHBondContact O-N 3.36Å
104I87.9Confident86.5Confident41 Ų4160.6 Ų60.621%0.2129%0.287CS..EExtended strand (participates in β ladder)trans-99.3115.3169.1-68.5178.1000107.2Q54 S55 W56 M121 V122Q54-I104 CarbonylContact C-O 3.55Å; Q54-I104 VanDerWaalsContact CA-O 3.25Å; Q54-I104 WeakPolarHBondContact CA-O 2.86Å; S55-I104 PolarHBondContact N-O 2.68Å; S55-I104 WeakPolarHBondContact OG-CB 3.26Å; S55-I104 WeakPolarHBondContact OG-CG2 3.24Å; W56-I104 HydrophobicContact CB-CB 4.17Å; W56-I104 HydrophobicContact CB-CD1 4.03Å; W56-I104 HydrophobicContact CB-CG1 4.14Å; W56-I104 PolarHBondContact O-N 3.24Å; I104-M121 HydrophobicContact CD1-CE 4.47Å; I104-M121 HydrophobicContact CD1-SD 3.98Å; I104-M121 HydrophobicContact CG1-SD 4.1Å; I104-M121 HydrophobicContact CG2-CE 3.9Å; I104-M121 HydrophobicContact CG2-CG 3.74Å; I104-M121 HydrophobicContact CG2-SD 3.73Å; I104-V122 WeakPolarHBondContact CA-O 3.22Å
105Y90.6Very high84.7Confident0 Ų064.4 Ų64.40%031%0.313CS..EExtended strand (participates in β ladder)trans-111.1141.2-178.5-63.5-92.1000112.2I39 L52 K53 Q54 V62 F77 M94 D101 M121 V122 V124I39-Y105 HydrophobicContact CD1-CG 4.32Å; L52-Y105 HydrophobicContact CD2-CD1 4.36Å; L52-Y105 HydrophobicContact CG-CD1 4.35Å; K53-Y105 CarbonylContact O-C 3.59Å; K53-Y105 VanDerWaalsContact O-CA 3.28Å; K53-Y105 WeakPolarHBondContact O-CA 3.31Å; Q54-Y105 HydrophobicContact CB-CD1 4.05Å; Q54-Y105 HydrophobicContact CB-CE1 3.88Å; Q54-Y105 HydrophobicContact CG-CD1 4.41Å; Q54-Y105 HydrophobicContact CG-CE1 4.05Å; V62-Y105 HydrophobicContact CG2-CD1 3.96Å; V62-Y105 HydrophobicContact CG2-CE1 3.75Å; F77-Y105 HydrophobicContact CZ-CE1 4.24Å; M94-Y105 HydrophobicContact CE-CE1 3.97Å; M94-Y105 HydrophobicContact SD-CE1 4.28Å; D101-Y105 VanDerWaalsContact O-CE2 3.31Å; D101-Y105 WeakPolarHBondContact O-CE2 3.18Å; D101-Y105 PolarHBondContact O-OH 3.04Å; Y105-M121 WeakPolarHBondContact O-CA 3.31Å; Y105-V122 PolarHBondContact N-O 3.27Å; Y105-V122 PolarHBondContact O-N 2.94Å; Y105-V124 HydrophobicContact CD2-CG2 4.32Å; Y105-V124 HydrophobicContact CE2-CG2 4.1Å
106T89Confident82.6Confident23 Ų2366 Ų6614%0.14133%0.329CS..EExtended strand (participates in β ladder)trans-143129.4-175.3-60.40000113.4K53 S119 T120K53-T106 PolarHBondContact N-O 3.08Å; K53-T106 PolarHBondContact O-N 3.08Å; T106-S119 VanDerWaalsContact CG2-CA 3.46Å; T106-T120 WeakPolarHBondContact CA-O 3.49Å; T106-T120 WeakPolarHBondContact CB-O 3.45Å; T106-T120 WeakPolarHBondContact CG2-O 3.44Å; T106-T120 PolarHBondContact OG1-O 3.36Å
107C91Very high80.6Confident2 Ų262.4 Ų62.41%0.01432%0.316CS..EExtended strand (participates in β ladder)trans-74.2135.1170-480000109.4C41 I50 Y51C41-C107 HydrophobicContact CB-CB 3.64Å; C41-C107 WeakPolarHBondContact CB-SG 3.48Å; C41-C107 WeakPolarHBondContact SG-CB 3.1Å; C41-C107 CovalentContact SG-SG 2.03Å; C41-C107 PolarHBondContact SG-SG 3.19Å; I50-C107 HydrophobicContact CG2-CB 4.35Å; Y51-C107 CarbonylContact O-C 3.55Å; Y51-C107 WeakPolarHBondContact O-CA 3.33Å
108S89.4Confident78.9Confident12 Ų1267.4 Ų67.48%0.08434%0.342CS..EExtended strand (participates in β ladder)trans-135107.9-179.8177.60000108.4Y51 K53Y51-S108 PolarHBondContact N-O 2.85Å; Y51-S108 PolarHBondContact O-N 2.87Å; K53-S108 PolarHBondContact NZ-OG 3.41Å
109A89Confident76.9Confident2 Ų265.4 Ų65.42%0.01735%0.348CS..EExtended strand (participates in β ladder)trans-74.4142179.800000111.7T43 L47T43-A109 HydrophobicContact CG2-CB 3.6Å; L47-A109 HydrophobicContact CD2-CB 4.04Å
110V87.3Confident75.4Confident30 Ų3060.8 Ų60.818%0.18233%0.332CS..EExtended strand (participates in β ladder)trans-108.2118.1173.4-175.10000107.4L47 Q48 G49 Y51 Y64L47-V110 CarbonylContact C-O 3.51Å; Q48-V110 HydrophobicContact CB-CB 4.41Å; Q48-V110 HydrophobicContact CB-CG1 4.16Å; Q48-V110 PolarHBondContact N-O 2.75Å; G49-V110 PolarHBondContact O-N 2.88Å; Y51-V110 HydrophobicContact CD2-CG2 3.68Å; Y51-V110 HydrophobicContact CE2-CG2 3.66Å; Y64-V110 HydrophobicContact CE2-CG2 4.34Å
111T83.8Confident73.7Confident44 Ų4459.3 Ų59.327%0.2732%0.319SS..EExtended strand (participates in β ladder)trans-111.8165.5174.879.10000110.5L47 N113 R114L47-T111 HydrophobicContact CD2-CG2 3.82Å; T111-N113 PolarHBondContact O-N 2.86Å; T111-N113 PolarHBondContact OG1-N 3.5Å; T111-R114 PolarHBondContact N-O 3.47Å; T111-R114 PolarHBondContact OG1-N 2.69Å; T111-R114 PolarHBondContact OG1-O 2.71Å
112K71.9Confident72Confident158 Ų15859.5 Ų59.569%0.68732%0.321SS*.SBendtrans-57.6-27.5177.3-74.8175.2179.61730114.3Q48Q48-K112 HydrophobicContact CG-CG 4.27Å; Q48-K112 VanDerWaalsContact NE2-CG 3.33Å
113N64.8Low70.5Confident151 Ų15160.1 Ų60.181%0.80732%0.323SS*.SBendtrans-116.9-4.9-171.1-75.7-9.3000116T111T111-N113 PolarHBondContact O-N 2.86Å; T111-N113 PolarHBondContact OG1-N 3.5Å
114R56.3Low69.1Low187 Ų18760.3 Ų60.371%0.70632%0.324SS*.  trans176.4161.3166.9-107.4165-160.4-1041.7110.6T111 D116T111-R114 PolarHBondContact N-O 3.47Å; T111-R114 PolarHBondContact OG1-N 2.69Å; T111-R114 PolarHBondContact OG1-O 2.71Å; R114-D116 VanDerWaalsContact C-N 3.3Å; R114-D116 PolarHBondContact O-N 2.96Å
115S57.2Low67.6Low81 Ų8160.4 Ų60.457%0.56633%0.326SS*.  trans-85.767169.161.50000110.7G117S115-G117 PolarHBondContact O-N 3.18Å
116D53.3Low65.8Low122 Ų12266.9 Ų66.965%0.65236%0.357SS*.  trans-87.1101.5171.5-74.3-11.3000107.8R114R114-D116 VanDerWaalsContact C-N 3.3Å; R114-D116 PolarHBondContact O-N 2.96Å
117G52.8Low63.9Low27 Ų2771.4 Ų71.428%0.27837%0.374SS..  trans-97.2120.1-175.800000111.8S115 S119S115-G117 PolarHBondContact O-N 3.18Å; G117-S119 PolarHBondContact O-N 3.47Å; G117-S119 VanDerWaalsContact O-N 3.09Å; G117-S119 PolarHBondContact O-OG 3.13Å
118L56.6Low61.7Low111 Ų11175.2 Ų75.258%0.58141%0.406SS*.  trans-60.2110.6160.6-17969.1000108.1S42 T120S42-L118 WeakPolarHBondContact O-CD2 3.1Å; L118-T120 PolarHBondContact O-N 3.28Å
119S51.4Low59.4Low90 Ų9079.1 Ų79.163%0.62943%0.433SS*.  trans-89.996-174.1-650000110.6T106 G117T106-S119 VanDerWaalsContact CG2-CA 3.46Å; G117-S119 PolarHBondContact O-N 3.47Å; G117-S119 VanDerWaalsContact O-N 3.09Å; G117-S119 PolarHBondContact O-OG 3.13Å
120T55Low57.2Low38 Ų3888.1 Ų88.123%0.23348%0.475CS..  trans-76.4134.5162.6-52.20000108T106 L118 V122T106-T120 WeakPolarHBondContact CA-O 3.49Å; T106-T120 WeakPolarHBondContact CB-O 3.45Å; T106-T120 WeakPolarHBondContact CG2-O 3.44Å; T106-T120 PolarHBondContact OG1-O 3.36Å; L118-T120 PolarHBondContact O-N 3.28Å; T120-V122 HydrophobicContact CG2-CG2 4.38Å
121M53.9Low54.9Low59 Ų5994.5 Ų94.529%0.29150%0.503SS..  trans-103.8126.1169.7171.9169.9-33.700108.9I26 I104 Y105I26-M121 HydrophobicContact CB-CB 4.41Å; I26-M121 HydrophobicContact CB-CG 4.5Å; I26-M121 HydrophobicContact CD1-CB 4.34Å; I26-M121 HydrophobicContact CD1-CE 3.69Å; I26-M121 HydrophobicContact CD1-CG 4.43Å; I26-M121 HydrophobicContact CD1-SD 3.69Å; I26-M121 HydrophobicContact CG1-CB 4.1Å; I26-M121 HydrophobicContact CG1-CG 4.49Å; I26-M121 HydrophobicContact CG1-SD 4.36Å; I26-M121 HydrophobicContact CG2-CB 3.48Å; I26-M121 VanDerWaalsContact CG2-CB 3.48Å; I26-M121 HydrophobicContact CG2-CG 3.31Å; I26-M121 WeakPolarHBondContact CG2-O 3.26Å; I26-M121 HydrophobicContact CG2-SD 3.72Å; I104-M121 HydrophobicContact CD1-CE 4.47Å; I104-M121 HydrophobicContact CD1-SD 3.98Å; I104-M121 HydrophobicContact CG1-SD 4.1Å; I104-M121 HydrophobicContact CG2-CE 3.9Å; I104-M121 HydrophobicContact CG2-CG 3.74Å; I104-M121 HydrophobicContact CG2-SD 3.73Å; Y105-M121 WeakPolarHBondContact O-CA 3.31Å
122V54.7Low52.8Low6 Ų698.7 Ų98.74%0.03653%0.528CS..EExtended strand (participates in β ladder)trans-116.2119170.9168.90000108.1L29 I39 G103 I104 Y105 T120 V124L29-V122 HydrophobicContact CB-CG1 4.01Å; L29-V122 HydrophobicContact CD1-CB 4.38Å; L29-V122 HydrophobicContact CD1-CG1 3.39Å; L29-V122 HydrophobicContact CD1-CG2 4.1Å; L29-V122 HydrophobicContact CG-CG1 3.75Å; I39-V122 HydrophobicContact CD1-CB 4.38Å; I39-V122 HydrophobicContact CD1-CG1 4.14Å; I39-V122 HydrophobicContact CG1-CB 4.5Å; I39-V122 HydrophobicContact CG1-CG1 4.16Å; I39-V122 HydrophobicContact CG1-CG2 4.21Å; I39-V122 HydrophobicContact CG2-CG2 4.01Å; G103-V122 VanDerWaalsContact O-O 3.1Å; I104-V122 WeakPolarHBondContact CA-O 3.22Å; Y105-V122 PolarHBondContact N-O 3.27Å; Y105-V122 PolarHBondContact O-N 2.94Å; T120-V122 HydrophobicContact CG2-CG2 4.38Å; V122-V124 HydrophobicContact CG1-CG2 4.31Å
123M57Low51.1Low76 Ų7696.8 Ų96.837%0.37453%0.533SS..EExtended strand (participates in β ladder)trans-102.1116.5174-172.417866.900109.3V28 L29 T125V28-M123 HydrophobicContact CB-CE 4.24Å; V28-M123 HydrophobicContact CG1-CB 4.24Å; V28-M123 HydrophobicContact CG1-CE 3.48Å; V28-M123 VanDerWaalsContact CG1-CE 3.48Å; V28-M123 HydrophobicContact CG2-CB 4.48Å; V28-M123 HydrophobicContact CG2-CE 3.68Å; L29-M123 CarbonylContact C-O 3.5Å; L29-M123 PolarHBondContact N-O 3.2Å; M123-T125 HydrophobicContact CE-CG2 3.78Å; M123-T125 HydrophobicContact CG-CG2 3.98Å; M123-T125 HydrophobicContact SD-CG2 4.15Å
124V58.7Low49.7Very low6 Ų698.7 Ų98.74%0.03653%0.534CS..EExtended strand (participates in β ladder)trans-90.3123.6175.3-177.60000109.7L29 L97 I102 G103 Y105 V122L29-V124 VanDerWaalsContact O-CA 3.29Å; L29-V124 WeakPolarHBondContact O-CA 3.09Å; L97-V124 HydrophobicContact CD1-CG1 4.31Å; I102-V124 WeakPolarHBondContact CG2-O 3.44Å; G103-V124 PolarHBondContact O-N 3.36Å; Y105-V124 HydrophobicContact CD2-CG2 4.32Å; Y105-V124 HydrophobicContact CE2-CG2 4.1Å; V122-V124 HydrophobicContact CG1-CG2 4.31Å
125T56.1Low49.3Very low44 Ų4494.2 Ų94.227%0.2753%0.532SS..EExtended strand (participates in β ladder)trans-136.5149.2-173.5155.60000111.2L29 M30 A31 M123L29-T125 PolarHBondContact O-N 2.97Å; M30-T125 WeakPolarHBondContact CE-OG1 3.17Å; M30-T125 WeakPolarHBondContact SD-CB 2.95Å; M30-T125 HydrophobicContact SD-CG2 4.27Å; M30-T125 PolarHBondContact SD-OG1 3.47Å; A31-T125 PolarHBondContact N-O 2.89Å; M123-T125 HydrophobicContact CE-CG2 3.78Å; M123-T125 HydrophobicContact CG-CG2 3.98Å; M123-T125 HydrophobicContact SD-CG2 4.15Å
126E53.4Low48.3Very low136 Ų13696.8 Ų96.864%0.63654%0.535SS*.  trans-61.9145.3-176.6-176.1172.4-160.900112M30 A128M30-E126 WeakPolarHBondContact CE-O 3.34Å; E126-A128 PolarHBondContact O-N 2.93Å; E126-A128 VanDerWaalsContact O-N 3.13Å
127K48.3Very low47.6Very low118 Ų11897.9 Ų97.951%0.51354%0.536SS..  trans-60.9116.7172.3-179.7169.3179.5176.20109.5S32 S129S32-K127 WeakPolarHBondContact OG-CB 3.45Å; S32-K127 WeakPolarHBondContact OG-CD 3.35Å; K127-S129 PolarHBondContact O-N 2.95Å
128A44.6Very low46.7Very low82 Ų82101.4 Ų101.468%0.67855%0.554SS**  trans-56.8112158.300000106.5E126 Q130E126-A128 PolarHBondContact O-N 2.93Å; E126-A128 VanDerWaalsContact O-N 3.13Å; A128-Q130 PolarHBondContact O-N 3.3Å
129S40.8Very low45.7Very low93 Ų93105.3 Ų105.365%0.6556%0.561SS**  trans-48.2117.116643.20000107K127 E131K127-S129 PolarHBondContact O-N 2.95Å; S129-E131 PolarHBondContact O-N 3Å
130Q43.1Very low45.1Very low192 Ų192109 Ų10990%0.89756%0.561SS**  trans-72.664.4170.5-165.5169.916.800107.9A128A128-Q130 PolarHBondContact O-N 3.3Å
131E39.6Very low44.6Very low163 Ų163113 Ų11376%0.76259%0.585SS**SBendtrans-116.898160.2-72.7-161.316700105.8S129 C133S129-E131 PolarHBondContact O-N 3Å; E131-C133 PolarHBondContact O-N 3.41Å
132V39.5Very low44.3Very low132 Ų132114 Ų11480%0.860%0.598SS**  trans27.279.8159.3-169.70000115.2K134V132-K134 VanDerWaalsContact C-N 3.31Å; V132-K134 HydrophobicContact CG1-CB 4.37Å; V132-K134 HydrophobicContact CG1-CG 4.3Å; V132-K134 PolarHBondContact O-N 3.38Å
133C35.3Very low43.9Very low119 Ų119117 Ų11780%0.80462%0.617SS**  trans-87.380.8144.1-88.90000107.8E131 S135E131-C133 PolarHBondContact O-N 3.41Å; C133-S135 WeakPolarHBondContact CB-O 3.48Å; C133-S135 PolarHBondContact O-N 2.91Å
134K37.1Very low43.8Very low191 Ų191117.2 Ų117.283%0.8363%0.626SS**  trans-67.1121.7141.9-84.1-159.3175.4-178.20105.4V132V132-K134 VanDerWaalsContact C-N 3.31Å; V132-K134 HydrophobicContact CG1-CB 4.37Å; V132-K134 HydrophobicContact CG1-CG 4.3Å; V132-K134 PolarHBondContact O-N 3.38Å
135S46.5Very low43.7Very low92 Ų92122.4 Ų122.464%0.64365%0.653SS**  trans88.2113.4-168.2-154.80000111.1C133C133-S135 WeakPolarHBondContact CB-O 3.48Å; C133-S135 PolarHBondContact O-N 2.91Å
136Q37.7Very low43.8Very low136 Ų136124 Ų12464%0.63666%0.663SS**  cis-139.8131.929.5-74.3173.5-45.100111
137E36.8Very low44.4Very low144 Ų144120.1 Ų120.167%0.67366%0.655SS**SBendtrans-32.6144145.3-170.475.8-174.700110.6R139E137-R139 PolarHBondContact O-N 2.98Å
138P35.2Very low45.4Very low102 Ų102117.6 Ų117.666%0.66266%0.656SS**  trans-43.9112.5176.519.5-34.4000108.9R140P138-R140 VanDerWaalsContact C-N 3.27Å; P138-R140 PolarHBondContact O-N 3.43Å
139R34.1Very low46.9Very low192 Ų192118.3 Ų118.373%0.72565%0.648SS**  trans-60.5101.9-178.1-161.9173.9-175.2169.8-0.2105.5E137 T141E137-R139 PolarHBondContact O-N 2.98Å; R139-T141 PolarHBondContact O-N 3.36Å; R139-T141 PolarHBondContact O-OG1 2.89Å
140R39.2Very low48.7Very low169 Ų169116.8 Ų116.864%0.63864%0.641SS**  trans-5871.4175.5-69.1-179.1169.5-179.11.8109.6P138 S142 V143P138-R140 VanDerWaalsContact C-N 3.27Å; P138-R140 PolarHBondContact O-N 3.43Å; R140-S142 PolarHBondContact O-N 3Å; R140-V143 HydrophobicContact CB-CB 4.13Å; R140-V143 HydrophobicContact CB-CG2 4.02Å; R140-V143 HydrophobicContact CG-CG2 4.13Å
141T45.9Very low50.3Low120 Ų120111.8 Ų111.874%0.73662%0.624SS**THydrogen-bonded Turntrans-79.162162.447.10000108.2R139R139-T141 PolarHBondContact O-N 3.36Å; R139-T141 PolarHBondContact O-OG1 2.89Å
142S46.9Very low52.3Low80 Ų80105.9 Ų105.956%0.55961%0.606SS**THydrogen-bonded Turntrans-169.9-10.716266.20000113.2R140 P146R140-S142 PolarHBondContact O-N 3Å; S142-P146 WeakPolarHBondContact O-CD 3.26Å; S142-P146 WeakPolarHBondContact O-CG 3.3Å
143V46Very low54.4Low70 Ų70106.7 Ų106.742%0.42460%0.599SS.*THydrogen-bonded Turntrans-87.7-21.1178.8-177.50000112.6R140R140-V143 HydrophobicContact CB-CB 4.13Å; R140-V143 HydrophobicContact CB-CG2 4.02Å; R140-V143 HydrophobicContact CG-CG2 4.13Å
144S56Low56.7Low81 Ų81107.9 Ų107.957%0.56659%0.591SS**Hα-helixtrans-75.8-30.4178.163.20000113.7A148S144-A148 WeakPolarHBondContact O-CB 3.08Å; S144-A148 PolarHBondContact O-N 2.97Å
145L55.7Low58.9Low115 Ų115103.5 Ų103.560%0.60258%0.576SS**Hα-helixtrans-65.4-52.1178.8-101.6150.2000113A147 A148 L149L145-A147 PolarHBondContact O-N 3.43Å; L145-A148 PolarHBondContact O-N 2.92Å; L145-L149 HydrophobicContact CD2-CD1 4.5Å; L145-L149 WeakPolarHBondContact O-CB 3.33Å; L145-L149 WeakPolarHBondContact O-CG 3.31Å; L145-L149 PolarHBondContact O-N 3.49Å
146P58.7Low60.8Low76 Ų76104 Ų10449%0.49457%0.571SS.*Hα-helixtrans-67.4-35.5178.823.2-30.7000112.4S142 A150S142-P146 WeakPolarHBondContact O-CD 3.26Å; S142-P146 WeakPolarHBondContact O-CG 3.3Å; P146-A150 WeakPolarHBondContact O-CB 3.31Å; P146-A150 PolarHBondContact O-N 3.29Å
147A65.8Low62.9Low55 Ų5599.5 Ų99.546%0.45556%0.561SS.*Hα-helixtrans-67.9-44175.800000112.1L145 A150 V151L145-A147 PolarHBondContact O-N 3.43Å; A147-A150 PolarHBondContact O-N 3.19Å; A147-V151 VanDerWaalsContact O-CG2 3.31Å; A147-V151 WeakPolarHBondContact O-CG2 3.41Å; A147-V151 PolarHBondContact O-N 2.87Å
148A68.3Low65.1Low66 Ų6696.8 Ų96.855%0.54555%0.551SS.*Hα-helixtrans-65.7-38.2176.500000112.1S144 L145 G152S144-A148 WeakPolarHBondContact O-CB 3.08Å; S144-A148 PolarHBondContact O-N 2.97Å; L145-A148 PolarHBondContact O-N 2.92Å; A148-G152 PolarHBondContact O-N 3.39Å
149L76.8Confident67.2Low96 Ų9695.7 Ų95.750%0.50354%0.542SS..Hα-helixtrans-65.5-43.9174.1-71.5171.7000111.4L145 V151 G152 F153L145-L149 HydrophobicContact CD2-CD1 4.5Å; L145-L149 WeakPolarHBondContact O-CB 3.33Å; L145-L149 WeakPolarHBondContact O-CG 3.31Å; L145-L149 PolarHBondContact O-N 3.49Å; L149-V151 PolarHBondContact O-N 3.46Å; L149-G152 PolarHBondContact O-N 3.08Å; L149-F153 HydrophobicContact CB-CE2 4.39Å; L149-F153 WeakPolarHBondContact O-CD2 3.3Å; L149-F153 PolarHBondContact O-N 2.95Å
150A77.8Confident69.4Low62 Ų6291.1 Ų91.151%0.51253%0.532SS..Hα-helixtrans-60.6-43.9176.700000112P146 A147 F154P146-A150 WeakPolarHBondContact O-CB 3.31Å; P146-A150 PolarHBondContact O-N 3.29Å; A147-A150 PolarHBondContact O-N 3.19Å; A150-F154 WeakPolarHBondContact O-CB 3.28Å; A150-F154 PolarHBondContact O-N 3.29Å
151V77.9Confident71.3Confident87 Ų8785.2 Ų85.253%0.52752%0.523SS..Hα-helixtrans-63.9-42.8174.3174.10000110.8A147 L149 F154 L155A147-V151 VanDerWaalsContact O-CG2 3.31Å; A147-V151 WeakPolarHBondContact O-CG2 3.41Å; A147-V151 PolarHBondContact O-N 2.87Å; L149-V151 PolarHBondContact O-N 3.46Å; V151-F154 PolarHBondContact O-N 3.16Å; V151-L155 HydrophobicContact CG1-CD1 3.91Å; V151-L155 HydrophobicContact CG1-CG 4.28Å; V151-L155 VanDerWaalsContact O-CG 3.28Å; V151-L155 WeakPolarHBondContact O-CG 3.39Å; V151-L155 PolarHBondContact O-N 2.92Å
152G80.3Confident72.6Confident38 Ų3885.2 Ų85.239%0.39252%0.518SS..Hα-helixtrans-59.4-47.717700000113.1A148 L149 F154 L155 L156A148-G152 PolarHBondContact O-N 3.39Å; L149-G152 PolarHBondContact O-N 3.08Å; G152-F154 VanDerWaalsContact C-N 3.34Å; G152-F154 PolarHBondContact O-N 3.3Å; G152-L155 PolarHBondContact O-N 3.46Å; G152-L156 WeakPolarHBondContact O-CB 3.36Å; G152-L156 PolarHBondContact O-N 2.95Å
153F84.9Confident73.6Confident149 Ų14985.7 Ų85.765%0.65451%0.514SS*.Hα-helixtrans-65.4-36.6176.2-75-64.5000112.4L149 L156 G157L149-F153 HydrophobicContact CB-CE2 4.39Å; L149-F153 WeakPolarHBondContact O-CD2 3.3Å; L149-F153 PolarHBondContact O-N 2.95Å; F153-L156 PolarHBondContact O-N 3.01Å; F153-G157 PolarHBondContact O-N 2.98Å
154F82.6Confident74.4Confident144 Ų14486.2 Ų86.263%0.63252%0.52SS*.Hα-helixtrans-65.7-44.4176.9-161.5-96.6000111.8A150 V151 G152 G157 L158A150-F154 WeakPolarHBondContact O-CB 3.28Å; A150-F154 PolarHBondContact O-N 3.29Å; V151-F154 PolarHBondContact O-N 3.16Å; G152-F154 VanDerWaalsContact C-N 3.34Å; G152-F154 PolarHBondContact O-N 3.3Å; F154-G157 PolarHBondContact O-N 3.48Å; F154-L158 HydrophobicContact CD1-CD1 3.73Å; F154-L158 HydrophobicContact CD1-CG 4.26Å; F154-L158 HydrophobicContact CE1-CD1 3.68Å; F154-L158 HydrophobicContact CE1-CG 4.19Å; F154-L158 WeakPolarHBondContact O-CG 3.32Å; F154-L158 PolarHBondContact O-N 3.5Å
155L84.4Confident74.7Confident100 Ų10085.3 Ų85.352%0.52451%0.512SS..Hα-helixtrans-65.4-41.8176.5-68174.9000111.9V151 G152 G157 L158 V159V151-L155 HydrophobicContact CG1-CD1 3.91Å; V151-L155 HydrophobicContact CG1-CG 4.28Å; V151-L155 VanDerWaalsContact O-CG 3.28Å; V151-L155 WeakPolarHBondContact O-CG 3.39Å; V151-L155 PolarHBondContact O-N 2.92Å; G152-L155 PolarHBondContact O-N 3.46Å; L155-G157 VanDerWaalsContact C-N 3.33Å; L155-G157 PolarHBondContact O-N 2.93Å; L155-L158 PolarHBondContact O-N 3.34Å; L155-V159 WeakPolarHBondContact O-CG2 3.36Å; L155-V159 PolarHBondContact O-N 3.27Å
156L84.9Confident75Confident102 Ų10284.9 Ų84.953%0.53451%0.51SS..Hα-helixtrans-63-41.3175.7-168.171000111.3G152 F153 V159 L160G152-L156 WeakPolarHBondContact O-CB 3.36Å; G152-L156 PolarHBondContact O-N 2.95Å; F153-L156 PolarHBondContact O-N 3.01Å; L156-V159 PolarHBondContact O-N 2.91Å; L156-L160 HydrophobicContact CG-CD1 4.23Å; L156-L160 WeakPolarHBondContact O-CB 3.33Å; L156-L160 WeakPolarHBondContact O-CG 3.44Å; L156-L160 PolarHBondContact O-N 3.38Å
157G82.4Confident75Confident42 Ų4290.4 Ų90.443%0.43352%0.521SS..Hα-helixtrans-61.8-41.9174.200000113F153 F154 L155 G161F153-G157 PolarHBondContact O-N 2.98Å; F154-G157 PolarHBondContact O-N 3.48Å; L155-G157 VanDerWaalsContact C-N 3.33Å; L155-G157 PolarHBondContact O-N 2.93Å; G157-G161 WeakPolarHBondContact O-CA 3.2Å; G157-G161 PolarHBondContact O-N 2.94Å
158L83.8Confident74.8Confident86 Ų8695.5 Ų95.545%0.4553%0.533SS..Hα-helixtrans-65.8-43.5175.7-75.2172000112.4F154 L155 G161 L162F154-L158 HydrophobicContact CD1-CD1 3.73Å; F154-L158 HydrophobicContact CD1-CG 4.26Å; F154-L158 HydrophobicContact CE1-CD1 3.68Å; F154-L158 HydrophobicContact CE1-CG 4.19Å; F154-L158 WeakPolarHBondContact O-CG 3.32Å; F154-L158 PolarHBondContact O-N 3.5Å; L155-L158 PolarHBondContact O-N 3.34Å; L158-G161 PolarHBondContact O-N 3.36Å; L158-L162 WeakPolarHBondContact O-CB 3.35Å; L158-L162 WeakPolarHBondContact O-CG 3.49Å; L158-L162 PolarHBondContact O-N 3.36Å
159V79.7Confident74.5Confident79 Ų7996.1 Ų96.148%0.47953%0.53SS..Hα-helixtrans-62.5-47.3177.6170.70000110.5L155 L156 G161 L162 L163L155-V159 WeakPolarHBondContact O-CG2 3.36Å; L155-V159 PolarHBondContact O-N 3.27Å; L156-V159 PolarHBondContact O-N 2.91Å; V159-G161 VanDerWaalsContact C-N 3.33Å; V159-G161 PolarHBondContact O-N 3.43Å; V159-L162 PolarHBondContact O-N 2.89Å; V159-L163 HydrophobicContact CG1-CD1 3.67Å; V159-L163 HydrophobicContact CG1-CG 4.4Å; V159-L163 WeakPolarHBondContact O-CB 3.34Å; V159-L163 WeakPolarHBondContact O-CG 3.39Å; V159-L163 PolarHBondContact O-N 3.45Å
160L80.1Confident73.6Confident97 Ų9797.7 Ų97.751%0.50854%0.535SS..Hα-helixtrans-64.2-39.6175.6-69.4170.3000111.5L156 L162 L163 C164L156-L160 HydrophobicContact CG-CD1 4.23Å; L156-L160 WeakPolarHBondContact O-CB 3.33Å; L156-L160 WeakPolarHBondContact O-CG 3.44Å; L156-L160 PolarHBondContact O-N 3.38Å; L160-L162 VanDerWaalsContact C-N 3.34Å; L160-L162 PolarHBondContact O-N 3.47Å; L160-L163 PolarHBondContact O-N 2.88Å; L160-C164 WeakPolarHBondContact O-CB 3.45Å; L160-C164 PolarHBondContact O-N 3.08Å; L160-C164 PolarHBondContact O-SG 2.88Å
161G77.8Confident72.8Confident45 Ų4599.7 Ų99.746%0.46454%0.536SS..Hα-helixtrans-65.4-30177.700000114.3G157 L158 V159 P165G157-G161 WeakPolarHBondContact O-CA 3.2Å; G157-G161 PolarHBondContact O-N 2.94Å; L158-G161 PolarHBondContact O-N 3.36Å; V159-G161 VanDerWaalsContact C-N 3.33Å; V159-G161 PolarHBondContact O-N 3.43Å; G161-P165 WeakPolarHBondContact O-CD 3.29Å; G161-P165 WeakPolarHBondContact O-CG 3.41Å
162L74.2Confident71.8Confident120 Ų120103.2 Ų103.263%0.62854%0.544SS*.Hα-helixtrans-85.1-33.1174-74164000112.5L158 V159 L160 P165 L166L158-L162 WeakPolarHBondContact O-CB 3.35Å; L158-L162 WeakPolarHBondContact O-CG 3.49Å; L158-L162 PolarHBondContact O-N 3.36Å; V159-L162 PolarHBondContact O-N 2.89Å; L160-L162 VanDerWaalsContact C-N 3.34Å; L160-L162 PolarHBondContact O-N 3.47Å; L162-P165 VanDerWaalsContact O-CD 3.29Å; L162-P165 WeakPolarHBondContact O-CD 2.84Å; L162-P165 VanDerWaalsContact O-CG 3.31Å; L162-P165 WeakPolarHBondContact O-CG 3.48Å; L162-L166 WeakPolarHBondContact O-CD1 3.31Å
163L67.3Low70.6Confident89 Ų89108.5 Ų108.547%0.46656%0.558SS.*Hα-helixtrans-74.4-31.2176.2-70.7171000112.8V159 L160 L166 R167V159-L163 HydrophobicContact CG1-CD1 3.67Å; V159-L163 HydrophobicContact CG1-CG 4.4Å; V159-L163 WeakPolarHBondContact O-CB 3.34Å; V159-L163 WeakPolarHBondContact O-CG 3.39Å; V159-L163 PolarHBondContact O-N 3.45Å; L160-L163 PolarHBondContact O-N 2.88Å; L163-L166 PolarHBondContact O-N 3.27Å; L163-R167 PolarHBondContact O-N 2.81Å
164C62Low69.1Low81 Ų81107.3 Ų107.355%0.54756%0.558SS.*Hα-helixtrans-59.3-48.6177-77.90000114.2L160 R167 K168L160-C164 WeakPolarHBondContact O-CB 3.45Å; L160-C164 PolarHBondContact O-N 3.08Å; L160-C164 PolarHBondContact O-SG 2.88Å; C164-R167 PolarHBondContact O-N 3.46Å; C164-K168 PolarHBondContact O-N 2.97Å
165P63.6Low67.8Low63 Ų63104.4 Ų104.441%0.40956%0.555SS.*Hα-helixtrans-70.2-33.8175.926.9-33.9000111.7G161 L162 K168 T169G161-P165 WeakPolarHBondContact O-CD 3.29Å; G161-P165 WeakPolarHBondContact O-CG 3.41Å; L162-P165 VanDerWaalsContact O-CD 3.29Å; L162-P165 WeakPolarHBondContact O-CD 2.84Å; L162-P165 VanDerWaalsContact O-CG 3.31Å; L162-P165 WeakPolarHBondContact O-CG 3.48Å; P165-K168 CarbonylContact O-C 3.58Å; P165-K168 PolarHBondContact O-N 3.07Å; P165-T169 WeakPolarHBondContact O-CG2 3.04Å; P165-T169 PolarHBondContact O-N 3.11Å; P165-T169 PolarHBondContact O-OG1 3.01Å; P165-T169 VanDerWaalsContact O-OG1 3.07Å
166L60.7Low66.4Low105 Ų105102.6 Ų102.655%0.5556%0.555SS.*Hα-helixtrans-63.1-41.2173.5-104.481.7000112.1L162 L163 T169 Q170L162-L166 WeakPolarHBondContact O-CD1 3.31Å; L163-L166 PolarHBondContact O-N 3.27Å; L166-T169 WeakPolarHBondContact CA-OG1 3.32Å; L166-T169 PolarHBondContact O-OG1 2.89Å; L166-Q170 WeakPolarHBondContact O-CB 3.31Å; L166-Q170 WeakPolarHBondContact O-CG 3.43Å; L166-Q170 PolarHBondContact O-N 3.2Å
167R59.5Low64.7Low192 Ų192102 Ų10273%0.72556%0.559SS**Hα-helixtrans-67.7-38.4172.8-80.1-171.7173-179.1-0.9111.6L163 C164 I171L163-R167 PolarHBondContact O-N 2.81Å; C164-R167 PolarHBondContact O-N 3.46Å; R167-I171 WeakPolarHBondContact O-CB 3.39Å; R167-I171 VanDerWaalsContact O-CD1 3.31Å; R167-I171 WeakPolarHBondContact O-CD1 3.3Å; R167-I171 WeakPolarHBondContact O-CG1 3.47Å; R167-I171 PolarHBondContact O-N 2.8Å
168K61.6Low63Low162 Ų162110.1 Ų110.170%0.70458%0.576SS**Hα-helixtrans-65.8-37.3175.2-106.3-163.3175.2-173.30113C164 P165 K172C164-K168 PolarHBondContact O-N 2.97Å; P165-K168 CarbonylContact O-C 3.58Å; P165-K168 PolarHBondContact O-N 3.07Å; K168-K172 WeakPolarHBondContact O-CB 3.35Å; K168-K172 PolarHBondContact O-N 3.48Å
169T62.3Low61.3Low80 Ų80113.2 Ų113.249%0.49159%0.593SS.*Hα-helixtrans-72.7-40.3176.551.20000111.6P165 L166 I171 K172 E173P165-T169 WeakPolarHBondContact O-CG2 3.04Å; P165-T169 PolarHBondContact O-N 3.11Å; P165-T169 PolarHBondContact O-OG1 3.01Å; P165-T169 VanDerWaalsContact O-OG1 3.07Å; L166-T169 WeakPolarHBondContact CA-OG1 3.32Å; L166-T169 PolarHBondContact O-OG1 2.89Å; T169-I171 VanDerWaalsContact C-N 3.35Å; T169-I171 PolarHBondContact O-N 2.97Å; T169-K172 PolarHBondContact O-N 3.46Å; T169-E173 WeakPolarHBondContact O-CB 3.47Å; T169-E173 WeakPolarHBondContact O-CG 3.45Å; T169-E173 PolarHBondContact O-N 2.98Å
170Q57.7Low60.1Low129 Ų129119 Ų11960%0.60361%0.612SS**Hα-helixtrans-59.3-42.7172.1-70.3-99.1-5.800111.9L166 L174L166-Q170 WeakPolarHBondContact O-CB 3.31Å; L166-Q170 WeakPolarHBondContact O-CG 3.43Å; L166-Q170 PolarHBondContact O-N 3.2Å; Q170-L174 WeakPolarHBondContact O-CD1 3.46Å; Q170-L174 VanDerWaalsContact O-CG 3.3Å; Q170-L174 WeakPolarHBondContact O-CG 3.43Å; Q170-L174 PolarHBondContact O-N 3.32Å; Q170-L174 VanDerWaalsContact O-N 3.11Å
171I60.3Low58.8Low103 Ų103120.3 Ų120.353%0.52862%0.62SS.*Hα-helixtrans-68.6-37.1176-66.3162.7000111.3R167 T169 L174 C175R167-I171 WeakPolarHBondContact O-CB 3.39Å; R167-I171 VanDerWaalsContact O-CD1 3.31Å; R167-I171 WeakPolarHBondContact O-CD1 3.3Å; R167-I171 WeakPolarHBondContact O-CG1 3.47Å; R167-I171 PolarHBondContact O-N 2.8Å; T169-I171 VanDerWaalsContact C-N 3.35Å; T169-I171 PolarHBondContact O-N 2.97Å; I171-L174 PolarHBondContact O-N 3.03Å; I171-C175 WeakPolarHBondContact O-CB 3.14Å; I171-C175 PolarHBondContact O-N 3.44Å; I171-C175 PolarHBondContact O-SG 3.22Å; I171-C175 VanDerWaalsContact O-SG 3.32Å
172K56.5Low57.3Low162 Ų162124.1 Ų124.170%0.70463%0.634SS**Hα-helixtrans-68.3-38.7177.7-165.7179.3179.7-171.80112K168 T169 C175 A176K168-K172 WeakPolarHBondContact O-CB 3.35Å; K168-K172 PolarHBondContact O-N 3.48Å; T169-K172 PolarHBondContact O-N 3.46Å; K172-C175 PolarHBondContact O-N 3.45Å; K172-A176 VanDerWaalsContact O-CB 3.27Å; K172-A176 WeakPolarHBondContact O-CB 3.27Å; K172-A176 PolarHBondContact O-N 3.32Å
173E56.2Low55.6Low148 Ų148129.4 Ų129.469%0.69265%0.645SS**Hα-helixtrans-62.9-45.2173.5-82.5-78.5145.800111.8T169 C175 A176 S177T169-E173 WeakPolarHBondContact O-CB 3.47Å; T169-E173 WeakPolarHBondContact O-CG 3.45Å; T169-E173 PolarHBondContact O-N 2.98Å; E173-C175 PolarHBondContact O-N 2.96Å; E173-A176 PolarHBondContact O-N 3.46Å; E173-S177 WeakPolarHBondContact O-CB 3.38Å; E173-S177 PolarHBondContact O-N 3.02Å
174L54.2Low54.9Low124 Ų124130.8 Ų130.865%0.64966%0.661SS**Hα-helixtrans-66.8-33.1177.4-70.8165.8000113.2Q170 I171Q170-L174 WeakPolarHBondContact O-CD1 3.46Å; Q170-L174 VanDerWaalsContact O-CG 3.3Å; Q170-L174 WeakPolarHBondContact O-CG 3.43Å; Q170-L174 PolarHBondContact O-N 3.32Å; Q170-L174 VanDerWaalsContact O-N 3.11Å; I171-L174 PolarHBondContact O-N 3.03Å
175C54.7Low54.2Low83 Ų83132.5 Ų132.556%0.56167%0.669SS**Hα-helixtrans-80.9-32176.6-70.10000113.2I171 K172 E173 R178I171-C175 WeakPolarHBondContact O-CB 3.14Å; I171-C175 PolarHBondContact O-N 3.44Å; I171-C175 PolarHBondContact O-SG 3.22Å; I171-C175 VanDerWaalsContact O-SG 3.32Å; K172-C175 PolarHBondContact O-N 3.45Å; E173-C175 PolarHBondContact O-N 2.96Å; C175-R178 PolarHBondContact O-N 2.91Å
176A54.4Low53.7Low63 Ų63135.2 Ų135.252%0.52168%0.684SS.*Hα-helixtrans-72-32.4174.600000112.1K172 E173 R178 D179K172-A176 VanDerWaalsContact O-CB 3.27Å; K172-A176 WeakPolarHBondContact O-CB 3.27Å; K172-A176 PolarHBondContact O-N 3.32Å; E173-A176 PolarHBondContact O-N 3.46Å; A176-R178 PolarHBondContact O-N 3.38Å; A176-D179 PolarHBondContact O-N 3.36Å
177S50.1Low53.1Low89 Ų89139.9 Ų139.962%0.62270%0.696SS**G310 helixtrans-64.3-25.6171.6178.90000113E173E173-S177 WeakPolarHBondContact O-CB 3.38Å; E173-S177 PolarHBondContact O-N 3.02Å
178R45.7Very low52.5Low212 Ų212138.2 Ų138.280%0.870%0.696SS**G310 helixtrans-81.6-14.5-179-175172164.4-179.7-4.3113.5C175 A176C175-R178 PolarHBondContact O-N 2.91Å; A176-R178 PolarHBondContact O-N 3.38Å
179D48.5Very low51.8Low151 Ų151137.2 Ų137.281%0.80770%0.699SS**G310 helixtrans-87.6-4.5-179-156.939.1000113.4A176A176-D179 PolarHBondContact O-N 3.36Å
180K53.9Low51.3Low200 Ų200141.6 Ų141.687%0.8772%0.716SS**G310 helixtrans-97.2-2.9176.8-87.7-177.8178.1176.40115
181D53.3Low50.8Low126 Ų126139.6 Ų139.667%0.67472%0.716SS**SBendtrans-135125.7176.7-151.8-1.3000111.5
182T46.6Very low50.4Low124 Ų124146.4 Ų146.476%0.76174%0.737SS**  trans65.2102.6179.438.10000119.4
183R39.2Very low49.8Very low231 Ų231143.4 Ų143.487%0.87274%0.736SS**  -168.3126.397.3-99.1167.8-171.6158.31.8112.9V185R183-V185 PolarHBondContact O-N 3.13Å; R183-V185 VanDerWaalsContact O-N 3.13Å
184C50.9Low49Very low118 Ų118146 Ų14680%0.79775%0.745SS**  trans-42.8110160.6-167.10000110.1V186C184-V186 PolarHBondContact O-N 3.38Å
185V48.8Very low48.6Very low117 Ų117151.7 Ų151.771%0.70976%0.758SS**  trans-86.795164.8-176.80000105.7R183 Y187R183-V185 PolarHBondContact O-N 3.13Å; R183-V185 VanDerWaalsContact O-N 3.13Å; V185-Y187 HydrophobicContact CG1-CD2 4.06Å; V185-Y187 PolarHBondContact O-N 3.13Å; V185-Y187 VanDerWaalsContact O-N 3.13Å
186V52.5Low47.9Very low120 Ų120157.7 Ų157.773%0.72777%0.774SS**  trans-65.7104.6161.7176.20000105.8C184C184-V186 PolarHBondContact O-N 3.38Å
187Y48Very low47.3Very low204 Ų204160.9 Ų160.980%0.879%0.788SS**  trans-87.1115.9166.1-133.3-88.5000106.7V185 D189V185-Y187 HydrophobicContact CG1-CD2 4.06Å; V185-Y187 PolarHBondContact O-N 3.13Å; V185-Y187 VanDerWaalsContact O-N 3.13Å; Y187-D189 PolarHBondContact O-N 3.08Å; Y187-D189 VanDerWaalsContact O-N 3.08Å
188E46.7Very low47.1Very low157 Ų157161.6 Ų161.673%0.73479%0.79SS**  trans-65.5106.3163.5-91.6-178.6136.900107.8M190E188-M190 PolarHBondContact O-N 3.15Å; E188-M190 VanDerWaalsContact O-N 3.15Å
189D47.5Very low46.6Very low140 Ų140157.4 Ų157.475%0.74979%0.792SS**  trans-74.695.1171.2-174.823000108.7Y187Y187-D189 PolarHBondContact O-N 3.08Å; Y187-D189 VanDerWaalsContact O-N 3.08Å
190M51.3Low46.4Very low173 Ų173154.7 Ų154.785%0.85279%0.791SS**  trans-103.782.7164.6-80-161.6-87.500109.4E188E188-M190 PolarHBondContact O-N 3.15Å; E188-M190 VanDerWaalsContact O-N 3.15Å
191S48.1Very low46Very low86 Ų86151.1 Ų151.160%0.60179%0.788SS**  trans-133.296.7168.7172.60000109.6S193S191-S193 PolarHBondContact O-N 3.14Å; S191-S193 VanDerWaalsContact O-N 3.14Å
192Y51.4Low45.2Very low246 Ų246152.2 Ų152.297%0.96579%0.794SS**  trans-62.6104.8170.8-129.8-99.3000109.4
193S44.4Very low44.9Very low100 Ų100154.9 Ų154.970%0.69980%0.797SS**  trans-151.6110.2158.4710000114.4S191S191-S193 PolarHBondContact O-N 3.14Å; S191-S193 VanDerWaalsContact O-N 3.14Å
194K38.9Very low44.7Very low202 Ų202154.6 Ų154.688%0.87880%0.798SS**  trans38.5108143.5-66-172.7178.2179.30119.7
195R46.7Very low44.1Very low244 Ų244161.7 Ų161.792%0.92182%0.819SS**  trans2117.2136.4-64.1-177.2-175.2-178.51.1115.8
196K38.8Very low43.9Very low208 Ų208163.9 Ų163.990%0.90482%0.824SS**  -143.9138.4122.9-77.7-162.2-178.4177.70110.5
197T41.3Very low43.4Very low131 Ų131166.2 Ų166.280%0.80483%0.829SS**  trans-73.1-177.8-176-15.30000112.2
198P46.6Very low43.2Very low103 Ų103164.1 Ų164.167%0.66983%0.831SS**  -127.5-174-103.444-26.6000115
199C35.8Very low43Very low125 Ų125164.5 Ų164.585%0.84584%0.837SS**  trans90.2137147.2-690000121.7
200A42.9Very low42.7Very low94 Ų94166.1 Ų166.178%0.77784%0.842SS**  trans-60.9-176.2173.500000113
201P46.6Very low42.1Very low124 Ų124165.6 Ų165.681%0.80584%0.842SS**  cis-147.9-171.227.239.9-15000117.9
202N36.9Very low41.7Very low149 Ų149171.3 Ų171.380%0.79786%0.859SS**  trans-51.3156.6-176.2-68.8-40.3000117.8
203Q39.3Very low41Very low180 Ų180165.5 Ų165.584%0.84185%0.851SS**  trans-51.4140.9160.7-74174.8-49.800113
204Y34.6Very low40.7Very low226 Ų226171 Ų17189%0.88686%0.863SS**  trans-152.1157.7130.3-75.2-69.1000109
205H39.8Very low40.8Very low266 Ų266168.2 Ų168.2100%1.23186%0.862SS**  trans-45.80-178.1-83.8-82.4000116.3

Retrieved 205 of 205 residues in 120.1 ms (Link to these results)