A0A087XD12_POEFO Loading...

ADP-ribosylation factor-related protein 1

Trans-Golgi-associated GTPase that regulates protein sorting. Controls the targeting of ARL1 and its effector to the trans-Golgi. Required for the lipidation of chylomicrons in the intestine and required for VLDL lipidation in the liver.

AlphaFold DB , UniProt , Accession A0A087XD12, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 201 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
1M55.2Low68.7Low178 Ų178125.4 Ų125.488%0.87761%0.607SS**  0-43.20-142.9160.174.100112.4T3 L4 L5M1-T3 VanDerWaalsContact C-N 3.31Å; M1-T3 PolarHBondContact O-N 3.36Å; M1-L4 PolarHBondContact O-N 3.43Å; M1-L5 PolarHBondContact O-N 3.27Å
2Y59.6Low68.7Low216 Ų216125.1 Ų125.185%0.84761%0.607SS**Hα-helixtrans-60.8-32.5173.9-74.3-78.4000114.9S6Y2-S6 VanDerWaalsContact O-CB 3.26Å; Y2-S6 WeakPolarHBondContact O-CB 3.43Å; Y2-S6 PolarHBondContact O-N 3.15Å; Y2-S6 PolarHBondContact O-OG 2.76Å
3T69.1Low69.1Low112 Ų112125.4 Ų125.469%0.68760%0.604SS**Hα-helixtrans-71.4-35.117840.40000113.8M1 S6 G7M1-T3 VanDerWaalsContact C-N 3.31Å; M1-T3 PolarHBondContact O-N 3.36Å; T3-S6 WeakPolarHBondContact CA-OG 3.29Å; T3-S6 PolarHBondContact O-OG 3.26Å; T3-S6 VanDerWaalsContact O-OG 3.13Å; T3-G7 PolarHBondContact O-N 2.75Å
4L72.4Confident69.8Low135 Ų135121.5 Ų121.571%0.70758%0.584SS**Hα-helixtrans-74.5-40.6176.3-75.8164.5000111.5M1 G7 L8M1-L4 PolarHBondContact O-N 3.43Å; L4-G7 PolarHBondContact O-N 3.22Å; L4-L8 VanDerWaalsContact O-CB 3.27Å; L4-L8 WeakPolarHBondContact O-CB 3.49Å; L4-L8 PolarHBondContact O-N 3.34Å
5L73.6Confident70.8Confident118 Ų118118.1 Ų118.162%0.61857%0.566SS**Hα-helixtrans-66.5-41.6174.7-99.4130.6000112M1 Y9M1-L5 PolarHBondContact O-N 3.27Å; L5-Y9 WeakPolarHBondContact O-CB 3.27Å; L5-Y9 PolarHBondContact O-N 2.95Å
6S70.7Confident72.1Confident56 Ų56115.8 Ų115.839%0.39256%0.557SS.*Hα-helixtrans-69.8-35.7175.467.80000112.3Y2 T3 K10Y2-S6 VanDerWaalsContact O-CB 3.26Å; Y2-S6 WeakPolarHBondContact O-CB 3.43Å; Y2-S6 PolarHBondContact O-N 3.15Å; Y2-S6 PolarHBondContact O-OG 2.76Å; T3-S6 WeakPolarHBondContact CA-OG 3.29Å; T3-S6 PolarHBondContact O-OG 3.26Å; T3-S6 VanDerWaalsContact O-OG 3.13Å; S6-K10 WeakPolarHBondContact O-CB 3.43Å; S6-K10 VanDerWaalsContact O-CG 3.29Å; S6-K10 WeakPolarHBondContact O-CG 3.36Å; S6-K10 PolarHBondContact O-N 2.69Å
7G72.5Confident73.4Confident24 Ų24110.1 Ų110.125%0.24753%0.53CS..Hα-helixtrans-64.7-45.9172.800000112.5T3 L4 K10 Y11T3-G7 PolarHBondContact O-N 2.75Å; L4-G7 PolarHBondContact O-N 3.22Å; G7-K10 PolarHBondContact O-N 2.86Å; G7-Y11 VanDerWaalsContact O-CB 3.29Å; G7-Y11 WeakPolarHBondContact O-CB 3.36Å; G7-Y11 PolarHBondContact O-N 3.11Å
8L74.4Confident74.7Confident98 Ų98104.4 Ų104.451%0.51350%0.502SS..Hα-helixtrans-65.6-40.7175.9-176.765.4000111.7L4 Y11 M12L4-L8 VanDerWaalsContact O-CB 3.27Å; L4-L8 WeakPolarHBondContact O-CB 3.49Å; L4-L8 PolarHBondContact O-N 3.34Å; L8-Y11 PolarHBondContact O-N 2.85Å; L8-M12 HydrophobicContact CD1-CG 4.29Å; L8-M12 HydrophobicContact CG-CE 4.42Å; L8-M12 HydrophobicContact CG-CG 4.49Å; L8-M12 WeakPolarHBondContact O-CB 3.49Å; L8-M12 WeakPolarHBondContact O-CG 3.26Å; L8-M12 PolarHBondContact O-N 3.34Å
9Y71.2Confident75.9Confident144 Ų14498.9 Ų98.957%0.56548%0.476SS*.Hα-helixtrans-61.6-49.8174.3-175.7-90.9000110.7L5 Y11 M12 F13L5-Y9 WeakPolarHBondContact O-CB 3.27Å; L5-Y9 PolarHBondContact O-N 2.95Å; Y9-Y11 VanDerWaalsContact C-N 3.32Å; Y9-Y11 PolarHBondContact O-N 3.07Å; Y9-M12 PolarHBondContact O-N 3.42Å; Y9-F13 AromaticContact CD1-CD2 3.99Å; Y9-F13 HydrophobicContact CD1-CD2 3.99Å; Y9-F13 AromaticContact CD2-CD2 3.46Å; Y9-F13 HydrophobicContact CD2-CD2 3.46Å; Y9-F13 VanDerWaalsContact CD2-CD2 3.46Å; Y9-F13 AromaticContact CD2-CE2 3.32Å; Y9-F13 HydrophobicContact CD2-CE2 3.32Å; Y9-F13 AromaticContact CE1-CD2 3.91Å; Y9-F13 HydrophobicContact CE1-CD2 3.91Å; Y9-F13 AromaticContact CE2-CD2 3.36Å; Y9-F13 HydrophobicContact CE2-CD2 3.36Å; Y9-F13 AromaticContact CE2-CE2 3.18Å; Y9-F13 HydrophobicContact CE2-CE2 3.18Å; Y9-F13 HydrophobicContact CE2-CG 4.41Å; Y9-F13 HydrophobicContact CE2-CZ 4.08Å; Y9-F13 AromaticContact CG-CD2 3.76Å; Y9-F13 HydrophobicContact CG-CD2 3.76Å; Y9-F13 HydrophobicContact CG-CE2 4.09Å; Y9-F13 AromaticContact CZ-CD2 3.59Å; Y9-F13 AromaticContact CZ-CE2 3.86Å; Y9-F13 WeakPolarHBondContact O-CB 3.38Å; Y9-F13 WeakPolarHBondContact O-CD2 3.48Å; Y9-F13 PolarHBondContact O-N 2.97Å
10K68.2Low77Confident139 Ų13994 Ų9460%0.60445%0.452SS*.Hα-helixtrans-57.7-45.8175.2-77.5178.3-179.9-177.50111.5S6 G7 M12 F13 Q14S6-K10 WeakPolarHBondContact O-CB 3.43Å; S6-K10 VanDerWaalsContact O-CG 3.29Å; S6-K10 WeakPolarHBondContact O-CG 3.36Å; S6-K10 PolarHBondContact O-N 2.69Å; G7-K10 PolarHBondContact O-N 2.86Å; K10-M12 PolarHBondContact O-N 3.35Å; K10-F13 PolarHBondContact O-N 2.92Å; K10-Q14 WeakPolarHBondContact O-CB 3.48Å; K10-Q14 PolarHBondContact O-N 2.66Å
11Y69.4Low78Confident159 Ų15989.5 Ų89.562%0.62443%0.431SS*.Hα-helixtrans-60.4-45177.9-179.7-100.4000112.4G7 L8 Y9 F13 I200G7-Y11 VanDerWaalsContact O-CB 3.29Å; G7-Y11 WeakPolarHBondContact O-CB 3.36Å; G7-Y11 PolarHBondContact O-N 3.11Å; L8-Y11 PolarHBondContact O-N 2.85Å; Y9-Y11 VanDerWaalsContact C-N 3.32Å; Y9-Y11 PolarHBondContact O-N 3.07Å; Y11-F13 PolarHBondContact O-N 2.95Å; Y11-I200 HydrophobicContact CD2-CD1 4.33Å
12M68.6Low80Confident122 Ų12281 Ų8160%0.60139%0.389SS*.Hα-helixtrans-72.3-26.3-179.3-72.9-153.3-61.900114.1L8 Y9 K10L8-M12 HydrophobicContact CD1-CG 4.29Å; L8-M12 HydrophobicContact CG-CE 4.42Å; L8-M12 HydrophobicContact CG-CG 4.49Å; L8-M12 WeakPolarHBondContact O-CB 3.49Å; L8-M12 WeakPolarHBondContact O-CG 3.26Å; L8-M12 PolarHBondContact O-N 3.34Å; Y9-M12 PolarHBondContact O-N 3.42Å; K10-M12 PolarHBondContact O-N 3.35Å
13F73.4Confident81.9Confident129 Ų12970.8 Ų70.857%0.56635%0.349SS*.Hα-helixtrans-109.82.9-176.6-64.7-72.7000114Y9 K10 Y11Y9-F13 AromaticContact CD1-CD2 3.99Å; Y9-F13 HydrophobicContact CD1-CD2 3.99Å; Y9-F13 AromaticContact CD2-CD2 3.46Å; Y9-F13 HydrophobicContact CD2-CD2 3.46Å; Y9-F13 VanDerWaalsContact CD2-CD2 3.46Å; Y9-F13 AromaticContact CD2-CE2 3.32Å; Y9-F13 HydrophobicContact CD2-CE2 3.32Å; Y9-F13 AromaticContact CE1-CD2 3.91Å; Y9-F13 HydrophobicContact CE1-CD2 3.91Å; Y9-F13 AromaticContact CE2-CD2 3.36Å; Y9-F13 HydrophobicContact CE2-CD2 3.36Å; Y9-F13 AromaticContact CE2-CE2 3.18Å; Y9-F13 HydrophobicContact CE2-CE2 3.18Å; Y9-F13 HydrophobicContact CE2-CG 4.41Å; Y9-F13 HydrophobicContact CE2-CZ 4.08Å; Y9-F13 AromaticContact CG-CD2 3.76Å; Y9-F13 HydrophobicContact CG-CD2 3.76Å; Y9-F13 HydrophobicContact CG-CE2 4.09Å; Y9-F13 AromaticContact CZ-CD2 3.59Å; Y9-F13 AromaticContact CZ-CE2 3.86Å; Y9-F13 WeakPolarHBondContact O-CB 3.38Å; Y9-F13 WeakPolarHBondContact O-CD2 3.48Å; Y9-F13 PolarHBondContact O-N 2.97Å; K10-F13 PolarHBondContact O-N 2.92Å; Y11-F13 PolarHBondContact O-N 2.95Å
14Q79.2Confident83.2Confident71 Ų7165.4 Ų65.433%0.33232%0.316SS..PPolyproline II helixtrans-69.8134.3174.5179.9167.3-5.900110.1K10K10-Q14 WeakPolarHBondContact O-CB 3.48Å; K10-Q14 PolarHBondContact O-N 2.66Å
15K84.8Confident84.4Confident71 Ų7159.4 Ų59.431%0.30928%0.284SS..PPolyproline II helixtrans-87.3137.6171.8-66.7-173.7-177.7-179.70109.3E17 D65 K68 R70K15-E17 PolarHBondContact O-N 3.46Å; K15-D65 HydrophobicContact CD-CB 4.33Å; K15-D65 VanDerWaalsContact NZ-CB 3.34Å; K15-D65 VanDerWaalsContact NZ-CG 3.27Å; K15-D65 IonicContact NZ-OD2 3.29Å; K15-D65 PolarHBondContact NZ-OD2 3.23Å; K15-K68 WeakPolarHBondContact CA-O 3.46Å; K15-K68 WeakPolarHBondContact CB-O 3.35Å; K15-R70 HydrophobicContact CB-CB 4.25Å
16D91.5Very high85.3Confident80 Ų8055.3 Ų55.343%0.42826%0.263SS..EExtended strand (participates in β ladder)trans-65.9124.9172.3-69.8-27.4000109Y18 K68 A69 R70 P195D16-Y18 HydrophobicContact CB-CD2 4.45Å; D16-Y18 HydrophobicContact CB-CE2 3.55Å; D16-K68 PolarHBondContact N-O 3.48Å; D16-A69 CarbonylContact O-C 3.59Å; D16-A69 WeakPolarHBondContact O-CA 3.5Å; D16-R70 PolarHBondContact O-N 2.92Å; D16-P195 HydrophobicContact CB-CB 3.71Å; D16-P195 HydrophobicContact CB-CG 3.93Å
17E94.1Very high86.4Confident20 Ų2057.5 Ų57.59%0.09327%0.27CS..EExtended strand (participates in β ladder)trans-103.7128.3-174.5-166.2172.295.500110.2K15 R70 P195 R196 K198K15-E17 PolarHBondContact O-N 3.46Å; E17-R70 CarbonylContact C-O 3.51Å; E17-R70 WeakPolarHBondContact CA-O 3.41Å; E17-R70 HydrophobicContact CB-CB 4.49Å; E17-R70 HydrophobicContact CG-CB 4.4Å; E17-R70 HydrophobicContact CG-CG 4.12Å; E17-R70 WeakPolarHBondContact OE2-CD 3.29Å; E17-P195 WeakPolarHBondContact O-CA 3.26Å; E17-R196 HydrophobicContact CB-CB 4.49Å; E17-R196 PolarHBondContact O-N 3.13Å; E17-K198 WeakPolarHBondContact OE2-CE 3.43Å; E17-K198 IonicContact OE2-NZ 2.72Å; E17-K198 PolarHBondContact OE2-NZ 2.95Å
18Y96.7Very high87.5Confident7 Ų756.5 Ų56.53%0.02726%0.259CS..EExtended strand (participates in β ladder)trans-125.5127.6-178.2-60.5-91.9000109.5D16 A69 R70 L71 M72 H94 V187 V188 P195D16-Y18 HydrophobicContact CB-CD2 4.45Å; D16-Y18 HydrophobicContact CB-CE2 3.55Å; Y18-A69 HydrophobicContact CD2-CB 4.19Å; Y18-A69 HydrophobicContact CE2-CB 4.09Å; Y18-R70 PolarHBondContact N-O 2.7Å; Y18-L71 HydrophobicContact CD2-CD2 4.49Å; Y18-L71 WeakPolarHBondContact O-CA 3.43Å; Y18-M72 PolarHBondContact O-N 3.02Å; Y18-H94 HydrophobicContact CD1-CB 4.08Å; Y18-H94 AromaticContact CD1-CD2 3.72Å; Y18-V187 HydrophobicContact CD1-CB 3.78Å; Y18-V187 HydrophobicContact CD1-CG2 3.77Å; Y18-V187 HydrophobicContact CD2-CG2 4.11Å; Y18-V187 HydrophobicContact CE1-CB 4.29Å; Y18-V187 HydrophobicContact CE1-CG2 4.25Å; Y18-V187 WeakPolarHBondContact CE1-O 3.29Å; Y18-V187 HydrophobicContact CG-CB 4.16Å; Y18-V187 HydrophobicContact CG-CG2 3.7Å; Y18-V188 HydrophobicContact CE2-CG2 3.88Å; Y18-P195 HydrophobicContact CD1-CB 4.33Å; Y18-P195 HydrophobicContact CE1-CB 3.82Å; Y18-P195 HydrophobicContact CE1-CG 4.34Å; Y18-P195 HydrophobicContact CE2-CB 4.08Å
19C96.9Very high88.6Confident1 Ų152.3 Ų52.31%0.00724%0.24CC..EExtended strand (participates in β ladder)trans-84.6127.5176.4-49.80000110.1M72 W74 E92 H94 G95C19-M72 CarbonylContact C-O 3.46Å; C19-M72 WeakPolarHBondContact CA-O 3.4Å; C19-M72 HydrophobicContact CB-CE 4.32Å; C19-M72 WeakPolarHBondContact SG-CE 3.25Å; C19-W74 HydrophobicContact CB-CD2 4.49Å; C19-W74 HydrophobicContact CB-CE3 4.24Å; C19-W74 HydrophobicContact CB-CH2 3.5Å; C19-W74 VanDerWaalsContact CB-CH2 3.5Å; C19-W74 HydrophobicContact CB-CZ2 3.8Å; C19-W74 HydrophobicContact CB-CZ3 3.73Å; C19-W74 WeakPolarHBondContact SG-CH2 3.29Å; C19-W74 VanDerWaalsContact SG-CZ2 3.52Å; C19-E92 WeakPolarHBondContact CB-O 3.16Å; C19-H94 PolarHBondContact N-ND1 3.27Å; C19-H94 WeakPolarHBondContact O-CA 3.44Å; C19-H94 WeakPolarHBondContact O-CB 3.22Å; C19-H94 PolarHBondContact O-N 3.08Å; C19-G95 PolarHBondContact O-N 2.92Å
20V98.2Very high89.8Confident0 Ų046.1 Ų46.10%022%0.216CC..EExtended strand (participates in β ladder)trans-122.6124.9179.4-179.90000109.6L71 M72 F73 W74 G95 I97 M183V20-L71 HydrophobicContact CG2-CD1 4.47Å; V20-L71 HydrophobicContact CG2-CD2 4.2Å; V20-M72 PolarHBondContact N-O 3.31Å; V20-F73 HydrophobicContact CB-CD1 3.78Å; V20-F73 HydrophobicContact CB-CE1 3.96Å; V20-F73 HydrophobicContact CG1-CD1 3.89Å; V20-F73 HydrophobicContact CG1-CE1 3.91Å; V20-F73 HydrophobicContact CG2-CE1 4.49Å; V20-F73 CarbonylContact O-C 3.58Å; V20-F73 VanDerWaalsContact O-CA 3.23Å; V20-F73 WeakPolarHBondContact O-CA 3.4Å; V20-W74 PolarHBondContact O-N 3.4Å; V20-G95 CarbonylContact C-O 3.47Å; V20-G95 VanDerWaalsContact CA-O 3.31Å; V20-G95 WeakPolarHBondContact CA-O 3.5Å; V20-I97 HydrophobicContact CG1-CD1 3.88Å; V20-I97 HydrophobicContact CG1-CG1 3.76Å; V20-M183 HydrophobicContact CG1-CE 4.38Å; V20-M183 HydrophobicContact CG1-CG 4.35Å; V20-M183 HydrophobicContact CG2-CG 4.19Å
21L98Very high91Very high0 Ų040.3 Ų40.30%019%0.193CC..EExtended strand (participates in β ladder)trans-81140.5175.2-61.1-179.4000110.7L23 W74 Y90 G95 V96 I97L21-L23 HydrophobicContact CB-CD1 4.3Å; L21-L23 HydrophobicContact CB-CD2 4.29Å; L21-L23 HydrophobicContact CB-CG 4.03Å; L21-L23 HydrophobicContact CD1-CD1 4.29Å; L21-W74 HydrophobicContact CD2-CB 3.97Å; L21-W74 HydrophobicContact CD2-CD2 4.35Å; L21-W74 HydrophobicContact CD2-CE3 3.5Å; L21-W74 HydrophobicContact CD2-CZ3 4.34Å; L21-Y90 HydrophobicContact CD1-CD1 3.61Å; L21-Y90 HydrophobicContact CD1-CE1 4.12Å; L21-G95 PolarHBondContact N-O 3.48Å; L21-V96 HydrophobicContact CB-CG2 4.32Å; L21-V96 HydrophobicContact CD1-CG2 4.28Å; L21-I97 PolarHBondContact O-N 3.4Å
22I98.3Very high92.3Very high0 Ų033.7 Ų33.70%017%0.169CC..EExtended strand (participates in β ladder)trans-114.8111.9166.1-50.1177.3000107.6K30 F33 L34 F73 W74 D75 L76 I97 V99I22-K30 HydrophobicContact CG2-CB 3.7Å; I22-K30 HydrophobicContact CG2-CD 4.26Å; I22-K30 HydrophobicContact CG2-CG 3.99Å; I22-F33 HydrophobicContact CD1-CD1 4.36Å; I22-L34 HydrophobicContact CD1-CB 3.88Å; I22-L34 HydrophobicContact CD1-CD1 4.09Å; I22-L34 HydrophobicContact CD1-CD2 4.48Å; I22-L34 HydrophobicContact CD1-CG 4.36Å; I22-F73 HydrophobicContact CD1-CB 3.93Å; I22-F73 HydrophobicContact CD1-CD1 3.81Å; I22-F73 HydrophobicContact CD1-CG 4.07Å; I22-F73 HydrophobicContact CG1-CB 4.38Å; I22-F73 HydrophobicContact CG1-CD1 4.01Å; I22-W74 PolarHBondContact N-O 3.25Å; I22-D75 HydrophobicContact CB-CB 4.42Å; I22-L76 PolarHBondContact O-N 3.05Å; I22-I97 WeakPolarHBondContact CA-O 3.22Å; I22-I97 HydrophobicContact CG1-CB 4.45Å; I22-V99 HydrophobicContact CG2-CG2 3.94Å
23L98.1Very high93.6Very high0 Ų027.9 Ų27.90%014%0.14CC..EExtended strand (participates in β ladder)trans-124.9168.2-173.7-53.5179.4000110.6L21 K30 L76 W86 Y90 V96 I97 Y98 V99 M118L21-L23 HydrophobicContact CB-CD1 4.3Å; L21-L23 HydrophobicContact CB-CD2 4.29Å; L21-L23 HydrophobicContact CB-CG 4.03Å; L21-L23 HydrophobicContact CD1-CD1 4.29Å; L23-K30 WeakPolarHBondContact O-CD 3.31Å; L23-L76 HydrophobicContact CD2-CB 4.14Å; L23-L76 HydrophobicContact CD2-CD1 3.79Å; L23-L76 HydrophobicContact CD2-CG 4.28Å; L23-W86 HydrophobicContact CB-CH2 4.43Å; L23-W86 HydrophobicContact CB-CZ2 4.38Å; L23-W86 HydrophobicContact CD1-CD2 4.44Å; L23-W86 HydrophobicContact CD1-CE3 4.35Å; L23-W86 HydrophobicContact CD2-CB 4.42Å; L23-W86 HydrophobicContact CD2-CD2 3.92Å; L23-W86 HydrophobicContact CD2-CG 3.85Å; L23-Y90 HydrophobicContact CD1-CE1 3.93Å; L23-V96 HydrophobicContact CD1-CG1 3.99Å; L23-V96 HydrophobicContact CG-CG1 4.44Å; L23-I97 PolarHBondContact N-O 2.72Å; L23-Y98 HydrophobicContact CB-CD2 4.02Å; L23-Y98 WeakPolarHBondContact O-CA 3.48Å; L23-V99 PolarHBondContact O-N 2.72Å; L23-M118 HydrophobicContact CD1-CG 3.77Å
24G97.4Very high94.7Very high0 Ų021.8 Ų21.80%011%0.113CC..SBendtrans131.5168-174.300000111.4K30 G78G24-K30 WeakPolarHBondContact O-CE 3.46Å; G24-K30 PolarHBondContact O-NZ 3.44Å; G24-G78 VanDerWaalsContact O-CA 3.22Å; G24-G78 WeakPolarHBondContact O-CA 3.43Å
25L96.8Very high95.4Very high9 Ų918.6 Ų18.65%0.04710%0.099CC..  trans-60.7159.7-179.2-61.2-170.1000112.3A28 K30 R107 E110 A114L25-A28 VanDerWaalsContact O-CB 3.28Å; L25-A28 WeakPolarHBondContact O-CB 3.38Å; L25-A28 PolarHBondContact O-N 3.29Å; L25-K30 PolarHBondContact O-NZ 3.05Å; L25-R107 HydrophobicContact CD1-CB 4.01Å; L25-E110 HydrophobicContact CD1-CB 4.09Å; L25-E110 HydrophobicContact CD1-CG 4.08Å; L25-E110 HydrophobicContact CD2-CG 4.14Å; L25-A114 HydrophobicContact CD2-CB 4.16Å
26D93.8Very high95.9Very high32 Ų3216.3 Ų16.317%0.1719%0.089CC..THydrogen-bonded Turntrans-56.9152.2168.763.2-76.7000110.8A28 T55 G78 Q79 R107D26-A28 PolarHBondContact O-N 2.99Å; D26-T55 HydrophobicContact CB-CG2 3.92Å; D26-G78 PolarHBondContact N-O 3.37Å; D26-Q79 HydrophobicContact CB-CG 3.96Å; D26-R107 IonicContact OD1-NH1 2.73Å; D26-R107 PolarHBondContact OD1-NH1 2.92Å; D26-R107 IonicContact OD2-NH1 3.7Å; D26-R107 PolarHBondContact OD2-NH1 2.83Å; D26-R107 VanDerWaalsContact OD2-NH1 3.11Å
27N93.3Very high96Very high102 Ų10212.5 Ų12.555%0.5457%0.069SC..THydrogen-bonded Turntrans610.9-176.8-157.233.7000116.7G29 K135N27-G29 PolarHBondContact O-N 3.28Å; N27-G29 VanDerWaalsContact O-N 3.13Å; N27-K135 VanDerWaalsContact O-CE 3.31Å; N27-K135 WeakPolarHBondContact O-CE 3.35Å; N27-K135 PolarHBondContact O-NZ 3.38Å
28A96.3Very high95.9Very high2 Ų212.4 Ų12.42%0.0177%0.068CC..SBendtrans-64.9-15.5175.600000114.2L25 D26 V99 D101 N134L25-A28 VanDerWaalsContact O-CB 3.28Å; L25-A28 WeakPolarHBondContact O-CB 3.38Å; L25-A28 PolarHBondContact O-N 3.29Å; D26-A28 PolarHBondContact O-N 2.99Å; A28-V99 HydrophobicContact CB-CB 4.42Å; A28-V99 HydrophobicContact CB-CG1 4.21Å; A28-V99 WeakPolarHBondContact O-CG1 3.41Å; A28-D101 HydrophobicContact CB-CB 4.33Å; A28-N134 PolarHBondContact O-ND2 3.49Å
29G95.6Very high95.7Very high11 Ų1114.8 Ų14.811%0.1138%0.083CC..SBendtrans99.121.4178.200000115.1N27 T32 F33N27-G29 PolarHBondContact O-N 3.28Å; N27-G29 VanDerWaalsContact O-N 3.13Å; G29-T32 PolarHBondContact O-N 2.84Å; G29-F33 WeakPolarHBondContact O-CB 3.49Å; G29-F33 PolarHBondContact O-N 3.26Å
30K96.4Very high95.4Very high13 Ų1318.5 Ų18.56%0.05710%0.099CC..Hα-helixtrans-55.6-54178.3-59.8-171.1-60.5-77.70113.3I22 L23 G24 L25 T32 F33 L34 D75 L76 V99I22-K30 HydrophobicContact CG2-CB 3.7Å; I22-K30 HydrophobicContact CG2-CD 4.26Å; I22-K30 HydrophobicContact CG2-CG 3.99Å; L23-K30 WeakPolarHBondContact O-CD 3.31Å; G24-K30 WeakPolarHBondContact O-CE 3.46Å; G24-K30 PolarHBondContact O-NZ 3.44Å; L25-K30 PolarHBondContact O-NZ 3.05Å; K30-T32 PolarHBondContact O-N 3.18Å; K30-F33 WeakPolarHBondContact O-CB 3.49Å; K30-F33 PolarHBondContact O-N 3.2Å; K30-L34 PolarHBondContact O-N 3.12Å; K30-D75 VanDerWaalsContact CB-OD1 3.23Å; K30-D75 WeakPolarHBondContact CB-OD1 3.48Å; K30-L76 WeakPolarHBondContact CE-O 3.27Å; K30-V99 HydrophobicContact CG-CB 3.98Å; K30-V99 HydrophobicContact CG-CG2 3.96Å
31T94.9Very high95Very high18 Ų1820.6 Ų20.611%0.1111%0.108CC..Hα-helixtrans-65.9-40.4179.6-46.50000111.3F33 L34 E35 V53 T56 D75T31-F33 VanDerWaalsContact C-N 3.31Å; T31-F33 PolarHBondContact O-N 3.49Å; T31-L34 PolarHBondContact O-N 2.92Å; T31-E35 WeakPolarHBondContact O-CB 3.37Å; T31-E35 VanDerWaalsContact O-CG 3.31Å; T31-E35 WeakPolarHBondContact O-CG 3.49Å; T31-E35 PolarHBondContact O-N 3.23Å; T31-V53 HydrophobicContact CG2-CG1 3.69Å; T31-T56 PolarHBondContact OG1-OG1 3.29Å; T31-D75 WeakPolarHBondContact CA-OD2 3.46Å; T31-D75 WeakPolarHBondContact CB-OD2 3.28Å; T31-D75 PolarHBondContact OG1-OD2 3.04Å
32T95.4Very high94.4Very high19 Ų1922.2 Ų22.212%0.11712%0.12CC..Hα-helixtrans-58.6-44173.8-48.90000111.3G29 K30 E35 Q36 L50 A170 L171G29-T32 PolarHBondContact O-N 2.84Å; K30-T32 PolarHBondContact O-N 3.18Å; T32-E35 PolarHBondContact O-N 3.41Å; T32-Q36 WeakPolarHBondContact O-CB 3.32Å; T32-Q36 PolarHBondContact O-N 3.48Å; T32-L50 HydrophobicContact CG2-CB 4.26Å; T32-L50 HydrophobicContact CG2-CD1 4.25Å; T32-L50 HydrophobicContact CG2-CD2 4.18Å; T32-L50 HydrophobicContact CG2-CG 4.47Å; T32-A170 HydrophobicContact CG2-CB 3.83Å; T32-L171 HydrophobicContact CG2-CD2 3.83Å; T32-L171 HydrophobicContact CG2-CG 4.44Å
33F96.7Very high93.2Very high1 Ų132.3 Ų32.30%0.00416%0.164CC..Hα-helixtrans-62.4-43.5176.2176.3-91.3000111.8I22 G29 K30 T31 Q36 T37 I97 L132 A170 V176 I180I22-F33 HydrophobicContact CD1-CD1 4.36Å; G29-F33 WeakPolarHBondContact O-CB 3.49Å; G29-F33 PolarHBondContact O-N 3.26Å; K30-F33 WeakPolarHBondContact O-CB 3.49Å; K30-F33 PolarHBondContact O-N 3.2Å; T31-F33 VanDerWaalsContact C-N 3.31Å; T31-F33 PolarHBondContact O-N 3.49Å; F33-Q36 PolarHBondContact O-N 3.43Å; F33-T37 VanDerWaalsContact O-CB 3.28Å; F33-T37 WeakPolarHBondContact O-CB 3.49Å; F33-T37 PolarHBondContact O-N 3.43Å; F33-T37 PolarHBondContact O-OG1 2.97Å; F33-I97 HydrophobicContact CE1-CD1 3.8Å; F33-I97 HydrophobicContact CE1-CG2 4.46Å; F33-I97 HydrophobicContact CZ-CD1 4.36Å; F33-L132 HydrophobicContact CD1-CD1 4.21Å; F33-L132 HydrophobicContact CD2-CD1 3.52Å; F33-L132 HydrophobicContact CE1-CD1 4Å; F33-L132 HydrophobicContact CE2-CD1 3.24Å; F33-L132 HydrophobicContact CG-CD1 4Å; F33-L132 HydrophobicContact CZ-CD1 3.53Å; F33-A170 HydrophobicContact CB-CB 4.12Å; F33-V176 HydrophobicContact CD2-CG2 3.83Å; F33-V176 HydrophobicContact CE2-CB 4.1Å; F33-V176 HydrophobicContact CE2-CG1 4Å; F33-V176 HydrophobicContact CE2-CG2 3.7Å; F33-V176 HydrophobicContact CZ-CG1 4.28Å; F33-I180 HydrophobicContact CE1-CD1 4.01Å; F33-I180 HydrophobicContact CZ-CD1 3.89Å; F33-I180 HydrophobicContact CZ-CG1 4.22Å
34L95.8Very high92Very high0 Ų040.1 Ų40.10%021%0.206CC..Hα-helixtrans-61.4-45.7176.717855.5000111.8I22 K30 T31 T37 K38 F73 D75I22-L34 HydrophobicContact CD1-CB 3.88Å; I22-L34 HydrophobicContact CD1-CD1 4.09Å; I22-L34 HydrophobicContact CD1-CD2 4.48Å; I22-L34 HydrophobicContact CD1-CG 4.36Å; K30-L34 PolarHBondContact O-N 3.12Å; T31-L34 PolarHBondContact O-N 2.92Å; L34-T37 WeakPolarHBondContact O-CB 3.36Å; L34-T37 PolarHBondContact O-N 2.97Å; L34-K38 WeakPolarHBondContact O-CG 3.35Å; L34-K38 PolarHBondContact O-N 3.27Å; L34-F73 HydrophobicContact CD1-CB 3.54Å; L34-F73 HydrophobicContact CD1-CD2 3.48Å; L34-F73 VanDerWaalsContact CD1-CD2 3.48Å; L34-F73 HydrophobicContact CD1-CE2 4.31Å; L34-F73 HydrophobicContact CD1-CG 3.61Å; L34-F73 HydrophobicContact CD2-CB 4.39Å; L34-D75 HydrophobicContact CD2-CB 3.78Å
35E94.4Very high91.1Very high5 Ų544.3 Ų44.32%0.02322%0.222CC..Hα-helixtrans-66.6-40.1179.7-70.4-58.6131.200112.5T31 T32 T37 K38 T39 Y45 M48 L50T31-E35 WeakPolarHBondContact O-CB 3.37Å; T31-E35 VanDerWaalsContact O-CG 3.31Å; T31-E35 WeakPolarHBondContact O-CG 3.49Å; T31-E35 PolarHBondContact O-N 3.23Å; T32-E35 PolarHBondContact O-N 3.41Å; E35-T37 VanDerWaalsContact C-N 3.33Å; E35-K38 PolarHBondContact O-N 2.92Å; E35-K38 IonicContact OE1-NZ 3.13Å; E35-K38 PolarHBondContact OE1-NZ 3.29Å; E35-T39 WeakPolarHBondContact O-CB 3.28Å; E35-T39 PolarHBondContact O-N 3.43Å; E35-T39 PolarHBondContact O-OG1 3.42Å; E35-Y45 WeakPolarHBondContact OE2-CE1 3.47Å; E35-Y45 PolarHBondContact OE2-OH 2.86Å; E35-M48 HydrophobicContact CB-CG 4.27Å; E35-M48 VanDerWaalsContact CD-SD 3.56Å; E35-M48 HydrophobicContact CG-CG 3.75Å; E35-M48 HydrophobicContact CG-SD 3.55Å; E35-M48 VanDerWaalsContact CG-SD 3.55Å; E35-M48 WeakPolarHBondContact OE2-CG 3.34Å; E35-L50 HydrophobicContact CB-CD2 3.57Å
36Q94.6Very high89.7Confident23 Ų2353.3 Ų53.311%0.10726%0.261CS..Hα-helixtrans-65.6-39.2173.9-172.362.7-0.500111.6T32 F33 T39 K40 A170 T172 V176T32-Q36 WeakPolarHBondContact O-CB 3.32Å; T32-Q36 PolarHBondContact O-N 3.48Å; F33-Q36 PolarHBondContact O-N 3.43Å; Q36-T39 PolarHBondContact O-N 3.25Å; Q36-K40 WeakPolarHBondContact O-CG 3.49Å; Q36-K40 PolarHBondContact O-N 3.48Å; Q36-A170 VanDerWaalsContact CB-O 3.32Å; Q36-A170 WeakPolarHBondContact CB-O 3.28Å; Q36-A170 VanDerWaalsContact CG-O 3.31Å; Q36-A170 WeakPolarHBondContact CG-O 3.34Å; Q36-T172 PolarHBondContact NE2-O 2.89Å; Q36-V176 HydrophobicContact CG-CG2 4.16Å
37T94.6Very high88.2Confident0 Ų053.4 Ų53.40%027%0.269CS..Hα-helixtrans-60.3-48.1173.6-64.30000111.4F33 L34 E35 T39 K40 F41 I64 F73 V176 I180F33-T37 VanDerWaalsContact O-CB 3.28Å; F33-T37 WeakPolarHBondContact O-CB 3.49Å; F33-T37 PolarHBondContact O-N 3.43Å; F33-T37 PolarHBondContact O-OG1 2.97Å; L34-T37 WeakPolarHBondContact O-CB 3.36Å; L34-T37 PolarHBondContact O-N 2.97Å; E35-T37 VanDerWaalsContact C-N 3.33Å; T37-T39 VanDerWaalsContact C-N 3.3Å; T37-T39 PolarHBondContact O-N 3.4Å; T37-K40 PolarHBondContact O-N 3.46Å; T37-F41 HydrophobicContact CG2-CD2 4.13Å; T37-F41 WeakPolarHBondContact O-CD2 3.45Å; T37-F41 PolarHBondContact O-N 3.46Å; T37-I64 HydrophobicContact CG2-CD1 3.58Å; T37-I64 HydrophobicContact CG2-CG2 4.04Å; T37-F73 HydrophobicContact CG2-CE2 3.97Å; T37-F73 HydrophobicContact CG2-CZ 4.08Å; T37-V176 VanDerWaalsContact OG1-CG1 3.27Å; T37-V176 WeakPolarHBondContact OG1-CG1 3.32Å; T37-I180 HydrophobicContact CG2-CD1 4.03Å; T37-I180 HydrophobicContact CG2-CG1 3.85Å
38K92.9Very high87.3Confident18 Ų1852.6 Ų52.68%0.07826%0.263CS..Hα-helixtrans-58.3-44175.1-69.3170.8-175.8169.40111.2L34 E35 K40 S42 Y45 I64L34-K38 WeakPolarHBondContact O-CG 3.35Å; L34-K38 PolarHBondContact O-N 3.27Å; E35-K38 PolarHBondContact O-N 2.92Å; E35-K38 IonicContact OE1-NZ 3.13Å; E35-K38 PolarHBondContact OE1-NZ 3.29Å; K38-K40 PolarHBondContact O-N 3.28Å; K38-S42 WeakPolarHBondContact O-CA 3.36Å; K38-S42 WeakPolarHBondContact O-CB 3.43Å; K38-S42 PolarHBondContact O-N 3.48Å; K38-Y45 HydrophobicContact CB-CD1 3.51Å; K38-Y45 HydrophobicContact CB-CE1 3.51Å; K38-Y45 HydrophobicContact CB-CG 4.17Å; K38-Y45 HydrophobicContact CD-CE1 3.84Å; K38-Y45 HydrophobicContact CD-CE2 4.4Å; K38-Y45 HydrophobicContact CG-CE1 4.34Å; K38-I64 HydrophobicContact CG-CG2 4.37Å
39T91.6Very high86.1Confident57 Ų5756.9 Ų56.935%0.3529%0.286SS..Hα-helixtrans-62.4-41.5-179.8-58.50000112.2E35 Q36 T37 G47E35-T39 WeakPolarHBondContact O-CB 3.28Å; E35-T39 PolarHBondContact O-N 3.43Å; E35-T39 PolarHBondContact O-OG1 3.42Å; Q36-T39 PolarHBondContact O-N 3.25Å; T37-T39 VanDerWaalsContact C-N 3.3Å; T37-T39 PolarHBondContact O-N 3.4Å; T39-G47 WeakPolarHBondContact OG1-CA 3.5Å
40K90.3Very high85.1Confident79 Ų7957.8 Ų57.834%0.34329%0.288SS..Hα-helixtrans-74.5-36.6-179.5-72.7-162.1170.5-1690113.8Q36 T37 K38 G173 N177Q36-K40 WeakPolarHBondContact O-CG 3.49Å; Q36-K40 PolarHBondContact O-N 3.48Å; T37-K40 PolarHBondContact O-N 3.46Å; K38-K40 PolarHBondContact O-N 3.28Å; K40-G173 VanDerWaalsContact NZ-C 3.34Å; K40-G173 PolarHBondContact NZ-O 3.45Å; K40-N177 WeakPolarHBondContact CD-OD1 3.42Å
41F89.7Confident83.6Confident43 Ų4362 Ų6219%0.18932%0.318CS..Hα-helixtrans-102.1-14.3-171.6-71.1-86.9000114.5T37 I64 V66 N177 I180T37-F41 HydrophobicContact CG2-CD2 4.13Å; T37-F41 WeakPolarHBondContact O-CD2 3.45Å; T37-F41 PolarHBondContact O-N 3.46Å; F41-I64 HydrophobicContact CB-CB 4.02Å; F41-I64 HydrophobicContact CB-CD1 4.13Å; F41-I64 HydrophobicContact CB-CG2 4.14Å; F41-I64 HydrophobicContact CD2-CD1 4.22Å; F41-I64 HydrophobicContact CG-CD1 4.1Å; F41-V66 HydrophobicContact CD1-CG2 3.75Å; F41-V66 HydrophobicContact CE1-CG1 4.35Å; F41-V66 HydrophobicContact CE1-CG2 4.06Å; F41-V66 HydrophobicContact CG-CG2 4.37Å; F41-N177 VanDerWaalsContact CE2-OD1 3.25Å; F41-N177 WeakPolarHBondContact CE2-OD1 3.46Å; F41-N177 HydrophobicContact CZ-CB 4.35Å; F41-N177 WeakPolarHBondContact CZ-OD1 3.3Å; F41-I180 HydrophobicContact CD2-CG2 4.5Å; F41-I180 HydrophobicContact CE1-CG2 4.33Å; F41-I180 HydrophobicContact CE2-CB 4.01Å; F41-I180 HydrophobicContact CE2-CG1 4.24Å; F41-I180 HydrophobicContact CE2-CG2 3.97Å; F41-I180 HydrophobicContact CZ-CB 4.04Å; F41-I180 HydrophobicContact CZ-CG2 3.87Å
42S86.8Confident82.5Confident35 Ų3568.6 Ų68.625%0.24535%0.346CS..  trans-110.1102178.2-62.40000111.1K38 N44 Y45K38-S42 WeakPolarHBondContact O-CA 3.36Å; K38-S42 WeakPolarHBondContact O-CB 3.43Å; K38-S42 PolarHBondContact O-N 3.48Å; S42-N44 PolarHBondContact O-N 2.58Å; S42-Y45 WeakPolarHBondContact O-CB 3.46Å; S42-Y45 PolarHBondContact O-N 3.09Å
43K72.5Confident81.6Confident212 Ų21269.2 Ų69.292%0.92235%0.35SS*.THydrogen-bonded Turntrans-53-27.1-174.9-68.9-175.7177.3-178.10115.7
44N72.9Confident80.7Confident164 Ų16474.7 Ų74.788%0.87738%0.383SS*.THydrogen-bonded Turntrans-110.49.4-177.5-63.8-22.7000113.1S42 K46S42-N44 PolarHBondContact O-N 2.58Å; N44-K46 PolarHBondContact O-N 3Å
45Y78.3Confident79.5Confident87 Ų8777.7 Ų77.734%0.34140%0.401SS..  trans-83.6113.4-179.8-169.6-112.1000110.1E35 K38 S42 G47E35-Y45 WeakPolarHBondContact OE2-CE1 3.47Å; E35-Y45 PolarHBondContact OE2-OH 2.86Å; K38-Y45 HydrophobicContact CB-CD1 3.51Å; K38-Y45 HydrophobicContact CB-CE1 3.51Å; K38-Y45 HydrophobicContact CB-CG 4.17Å; K38-Y45 HydrophobicContact CD-CE1 3.84Å; K38-Y45 HydrophobicContact CD-CE2 4.4Å; K38-Y45 HydrophobicContact CG-CE1 4.34Å; S42-Y45 WeakPolarHBondContact O-CB 3.46Å; S42-Y45 PolarHBondContact O-N 3.09Å; Y45-G47 PolarHBondContact O-N 3.03Å
46K66.4Low78.6Confident199 Ų19978.3 Ų78.387%0.86541%0.406SS*.  trans-77.498.9163.8-71.9-173.3179.2-178.10106.8N44N44-K46 PolarHBondContact O-N 3Å
47G63.3Low77.8Confident33 Ų3383 Ų8334%0.3444%0.436SS..  trans-50.7144.2176.100000111.6T39 Y45T39-G47 WeakPolarHBondContact OG1-CA 3.5Å; Y45-G47 PolarHBondContact O-N 3.03Å
48M73.4Confident77Confident85 Ų8584 Ų8442%0.41945%0.446SS..  trans-67.3157167.772-174.2-69.600109.9E35 L50 V53E35-M48 HydrophobicContact CB-CG 4.27Å; E35-M48 VanDerWaalsContact CD-SD 3.56Å; E35-M48 HydrophobicContact CG-CG 3.75Å; E35-M48 HydrophobicContact CG-SD 3.55Å; E35-M48 VanDerWaalsContact CG-SD 3.55Å; E35-M48 WeakPolarHBondContact OE2-CG 3.34Å; M48-L50 PolarHBondContact O-N 2.78Å; M48-V53 HydrophobicContact CE-CG2 3.97Å; M48-V53 HydrophobicContact CG-CG2 4.36Å; M48-V53 HydrophobicContact SD-CG2 4.1Å
49N71.8Confident76.8Confident93 Ų9386.1 Ų86.150%0.49746%0.458SS..  trans-65.9113174.3-170.4-26.4000109.3S51 K52N49-S51 PolarHBondContact O-N 3.05Å; N49-S51 PolarHBondContact OD1-N 3.18Å; N49-S51 PolarHBondContact OD1-OG 3.29Å; N49-K52 HydrophobicContact CB-CD 4.36Å; N49-K52 HydrophobicContact CB-CG 4.28Å; N49-K52 PolarHBondContact O-N 3.04Å
50L75.3Confident76.7Confident30 Ų3085.6 Ų85.616%0.15745%0.453CS..G310 helixtrans-60.5-26.1-177.3-61.3-176.9000112.8T32 E35 M48 K52 V53 L171T32-L50 HydrophobicContact CG2-CB 4.26Å; T32-L50 HydrophobicContact CG2-CD1 4.25Å; T32-L50 HydrophobicContact CG2-CD2 4.18Å; T32-L50 HydrophobicContact CG2-CG 4.47Å; E35-L50 HydrophobicContact CB-CD2 3.57Å; M48-L50 PolarHBondContact O-N 2.78Å; L50-K52 PolarHBondContact O-N 3.07Å; L50-V53 WeakPolarHBondContact O-CG2 3.24Å; L50-V53 PolarHBondContact O-N 3.04Å; L50-L171 HydrophobicContact CB-CD2 4.09Å
51S64.6Low76.7Confident100 Ų10086 Ų8670%0.69946%0.458SS*.G310 helixtrans-75.8-8.2176.669.90000114N49N49-S51 PolarHBondContact O-N 3.05Å; N49-S51 PolarHBondContact OD1-N 3.18Å; N49-S51 PolarHBondContact OD1-OG 3.29Å
52K70.6Confident76.8Confident157 Ų15784.1 Ų84.168%0.68345%0.45SS*.G310 helixtrans-105.26.9176-63.2-172.4176.8-175.30113.1N49 L50 T54N49-K52 HydrophobicContact CB-CD 4.36Å; N49-K52 HydrophobicContact CB-CG 4.28Å; N49-K52 PolarHBondContact O-N 3.04Å; L50-K52 PolarHBondContact O-N 3.07Å; K52-T54 PolarHBondContact O-N 3.5Å
53V78Confident77.1Confident33 Ų3385.4 Ų85.420%0.246%0.457CS..PPolyproline II helixtrans-69.4121.4177.8173.40000108.9T31 M48 L50T31-V53 HydrophobicContact CG2-CG1 3.69Å; M48-V53 HydrophobicContact CE-CG2 3.97Å; M48-V53 HydrophobicContact CG-CG2 4.36Å; M48-V53 HydrophobicContact SD-CG2 4.1Å; L50-V53 WeakPolarHBondContact O-CG2 3.24Å; L50-V53 PolarHBondContact O-N 3.04Å
54T76Confident78.1Confident116 Ų11675.4 Ų75.471%0.71241%0.414SS*.PPolyproline II helixtrans-103.5168.1175.157.90000110.6K52 T56K52-T54 PolarHBondContact O-N 3.5Å; T54-T56 PolarHBondContact O-N 3.2Å
55T70.9Confident79.1Confident62 Ų6270.1 Ų70.138%0.3839%0.385SS..PPolyproline II helixtrans-57.6129.9176.4-48.70000111.8D26 V57 Q79D26-T55 HydrophobicContact CB-CG2 3.92Å; T55-V57 PolarHBondContact O-N 2.92Å; T55-Q79 HydrophobicContact CG2-CG 4.22Å
56T76.8Confident79.8Confident19 Ų1967.3 Ų67.312%0.11738%0.377CS..PPolyproline II helixtrans-70.2127.1176.6-60.50000111T31 T54 N60 D75 G77T31-T56 PolarHBondContact OG1-OG1 3.29Å; T54-T56 PolarHBondContact O-N 3.2Å; T56-N60 HydrophobicContact CG2-CB 4.07Å; T56-D75 PolarHBondContact OG1-OD2 2.93Å; T56-G77 WeakPolarHBondContact O-CA 3.4Å
57V77.4Confident80.9Confident122 Ų12261 Ų6174%0.73937%0.368SS*.PPolyproline II helixtrans-99.1116.6169.1-1780000108.1T55 L59T55-V57 PolarHBondContact O-N 2.92Å; V57-L59 PolarHBondContact O-N 2.96Å
58G78.1Confident82.1Confident21 Ų2168.1 Ų68.122%0.21639%0.39CS..SBendtrans82.2-113-17900000113.4G77G58-G77 PolarHBondContact O-N 3.49Å; G58-G77 VanDerWaalsContact O-N 3.08Å
59L87.3Confident83Confident62 Ų6264.4 Ų64.433%0.32537%0.372SS..EExtended strand (participates in β ladder)trans-135.1129.8-171.5169.166.4000111V57 I61 W74 L76 Y89V57-L59 PolarHBondContact O-N 2.96Å; L59-I61 HydrophobicContact CD1-CG1 4.26Å; L59-I61 HydrophobicContact CD2-CD1 4.07Å; L59-I61 HydrophobicContact CD2-CG1 4.07Å; L59-I61 HydrophobicContact CG-CG1 3.99Å; L59-W74 HydrophobicContact CD1-CB 3.57Å; L59-W74 HydrophobicContact CD1-CG 4.07Å; L59-L76 HydrophobicContact CB-CD2 3.96Å; L59-L76 HydrophobicContact CD1-CD2 3.53Å; L59-L76 HydrophobicContact CD1-CG 4.48Å; L59-L76 HydrophobicContact CG-CD2 4.29Å; L59-Y89 HydrophobicContact CD2-CE1 3.91Å
60N89.6Confident84.1Confident45 Ų4563.5 Ų63.524%0.24136%0.362CS..EExtended strand (participates in β ladder)trans-111.4136.8167177.422.6000109.7T56 D75T56-N60 HydrophobicContact CG2-CB 4.07Å; N60-D75 HydrophobicContact CB-CB 4.08Å; N60-D75 PolarHBondContact N-O 2.78Å; N60-D75 PolarHBondContact O-N 2.86Å
61I91.8Very high85.1Confident88 Ų8862 Ų6245%0.45135%0.354SS..EExtended strand (participates in β ladder)trans-112.9130.9-178.8-55.2-177.1000109.7L59 M72 F73L59-I61 HydrophobicContact CD1-CG1 4.26Å; L59-I61 HydrophobicContact CD2-CD1 4.07Å; L59-I61 HydrophobicContact CD2-CG1 4.07Å; L59-I61 HydrophobicContact CG-CG1 3.99Å; I61-M72 HydrophobicContact CG2-CG 3.98Å; I61-M72 HydrophobicContact CG2-SD 4.32Å; I61-F73 WeakPolarHBondContact CA-O 3.29Å
62G91.6Very high86.6Confident3 Ų358.3 Ų58.33%0.03133%0.326CS..EExtended strand (participates in β ladder)trans-129.5153.417200000111.9M72 F73G62-M72 CarbonylContact O-C 3.52Å; G62-M72 WeakPolarHBondContact O-CA 3.41Å; G62-F73 PolarHBondContact N-O 2.75Å; G62-F73 PolarHBondContact O-N 2.67Å
63T92.5Very high87.9Confident63 Ų6350.9 Ų50.939%0.38729%0.294SS..EExtended strand (participates in β ladder)trans-136.1138.6177-550000110.1R70 L71T63-R70 HydrophobicContact CG2-CG 3.53Å; T63-L71 VanDerWaalsContact CA-O 3.3Å; T63-L71 WeakPolarHBondContact CA-O 3.26Å
64I94.1Very high88.8Confident2 Ų249.8 Ų49.81%0.0129%0.286CS..EExtended strand (participates in β ladder)trans-133.1155.5169.270.1177.4000109.6T37 K38 F41 V66 R70 L71 F73 I180T37-I64 HydrophobicContact CG2-CD1 3.58Å; T37-I64 HydrophobicContact CG2-CG2 4.04Å; K38-I64 HydrophobicContact CG-CG2 4.37Å; F41-I64 HydrophobicContact CB-CB 4.02Å; F41-I64 HydrophobicContact CB-CD1 4.13Å; F41-I64 HydrophobicContact CB-CG2 4.14Å; F41-I64 HydrophobicContact CD2-CD1 4.22Å; F41-I64 HydrophobicContact CG-CD1 4.1Å; I64-V66 HydrophobicContact CD1-CG2 3.65Å; I64-V66 HydrophobicContact CG1-CG2 4Å; I64-R70 WeakPolarHBondContact O-CA 3.49Å; I64-L71 HydrophobicContact CD1-CD1 4.38Å; I64-L71 HydrophobicContact CG1-CB 4Å; I64-L71 PolarHBondContact N-O 2.93Å; I64-L71 PolarHBondContact O-N 3.07Å; I64-F73 HydrophobicContact CD1-CE2 3.75Å; I64-F73 HydrophobicContact CD1-CZ 3.92Å; I64-F73 HydrophobicContact CG1-CE2 3.76Å; I64-F73 HydrophobicContact CG1-CZ 4.32Å; I64-F73 HydrophobicContact CG2-CE2 4.26Å; I64-I180 HydrophobicContact CD1-CG2 3.69Å
65D93.3Very high89.6Confident53 Ų5344.3 Ų44.328%0.28325%0.252SS..EExtended strand (participates in β ladder)trans-110.6122.1171.3-76.6-6.7000109.3K15 R70K15-D65 HydrophobicContact CD-CB 4.33Å; K15-D65 VanDerWaalsContact NZ-CB 3.34Å; K15-D65 VanDerWaalsContact NZ-CG 3.27Å; K15-D65 IonicContact NZ-OD2 3.29Å; K15-D65 PolarHBondContact NZ-OD2 3.23Å; D65-R70 WeakPolarHBondContact OD1-CB 3.49Å; D65-R70 WeakPolarHBondContact OD1-CG 3.35Å; D65-R70 IonicContact OD1-CZ 3.44Å; D65-R70 IonicContact OD1-NE 2.8Å; D65-R70 PolarHBondContact OD1-NE 3.28Å; D65-R70 IonicContact OD1-NH2 2.79Å; D65-R70 PolarHBondContact OD1-NH2 3.49Å; D65-R70 IonicContact OD2-NH2 3.56Å; D65-R70 PolarHBondContact OD2-NH2 3.07Å
66V92.9Very high90.7Very high28 Ų2841.4 Ų41.417%0.1724%0.235CC..EExtended strand (participates in β ladder)trans-122102.1176.8-172.10000108.7F41 I64 K68 A69 I180 V184F41-V66 HydrophobicContact CD1-CG2 3.75Å; F41-V66 HydrophobicContact CE1-CG1 4.35Å; F41-V66 HydrophobicContact CE1-CG2 4.06Å; F41-V66 HydrophobicContact CG-CG2 4.37Å; I64-V66 HydrophobicContact CD1-CG2 3.65Å; I64-V66 HydrophobicContact CG1-CG2 4Å; V66-K68 PolarHBondContact O-N 3.18Å; V66-A69 PolarHBondContact N-O 2.79Å; V66-A69 PolarHBondContact O-N 2.87Å; V66-A69 VanDerWaalsContact O-N 3.1Å; V66-I180 HydrophobicContact CG2-CG2 4.08Å; V66-V184 HydrophobicContact CB-CG2 3.92Å; V66-V184 HydrophobicContact CG1-CG2 4.09Å; V66-V184 HydrophobicContact CG2-CG2 4.2Å
67G89.2Confident91.3Very high65 Ų6540.6 Ų40.667%0.6723%0.23SC*.THydrogen-bonded Turntrans60.9-119.4-172.800000111.6
68K88.5Confident91.9Very high184 Ų18434.8 Ų34.880%0.820%0.195SC*.THydrogen-bonded Turntrans-91.7-9.4177.7-65.2-173.7178.6-176.10113.9K15 D16 V66K15-K68 WeakPolarHBondContact CA-O 3.46Å; K15-K68 WeakPolarHBondContact CB-O 3.35Å; D16-K68 PolarHBondContact N-O 3.48Å; V66-K68 PolarHBondContact O-N 3.18Å
69A93.4Very high92.5Very high6 Ų637.1 Ų37.15%0.0520%0.2CC..EExtended strand (participates in β ladder)trans-94.6141178.500000110.5D16 Y18 V66 V184 V188D16-A69 CarbonylContact O-C 3.59Å; D16-A69 WeakPolarHBondContact O-CA 3.5Å; Y18-A69 HydrophobicContact CD2-CB 4.19Å; Y18-A69 HydrophobicContact CE2-CB 4.09Å; V66-A69 PolarHBondContact N-O 2.79Å; V66-A69 PolarHBondContact O-N 2.87Å; V66-A69 VanDerWaalsContact O-N 3.1Å; A69-V184 HydrophobicContact CB-CG1 4Å; A69-V188 HydrophobicContact CB-CG2 4.16Å
70R94.7Very high92.5Very high74 Ų7441.1 Ų41.128%0.27922%0.217SC..EExtended strand (participates in β ladder)trans-108.8121167.7174.6170.9-69.71713.2108.2K15 D16 E17 Y18 T63 I64 D65K15-R70 HydrophobicContact CB-CB 4.25Å; D16-R70 PolarHBondContact O-N 2.92Å; E17-R70 CarbonylContact C-O 3.51Å; E17-R70 WeakPolarHBondContact CA-O 3.41Å; E17-R70 HydrophobicContact CB-CB 4.49Å; E17-R70 HydrophobicContact CG-CB 4.4Å; E17-R70 HydrophobicContact CG-CG 4.12Å; E17-R70 WeakPolarHBondContact OE2-CD 3.29Å; Y18-R70 PolarHBondContact N-O 2.7Å; T63-R70 HydrophobicContact CG2-CG 3.53Å; I64-R70 WeakPolarHBondContact O-CA 3.49Å; D65-R70 WeakPolarHBondContact OD1-CB 3.49Å; D65-R70 WeakPolarHBondContact OD1-CG 3.35Å; D65-R70 IonicContact OD1-CZ 3.44Å; D65-R70 IonicContact OD1-NE 2.8Å; D65-R70 PolarHBondContact OD1-NE 3.28Å; D65-R70 IonicContact OD1-NH2 2.79Å; D65-R70 PolarHBondContact OD1-NH2 3.49Å; D65-R70 IonicContact OD2-NH2 3.56Å; D65-R70 PolarHBondContact OD2-NH2 3.07Å
71L96.6Very high92.4Very high0 Ų045.7 Ų45.70%024%0.237CC..EExtended strand (participates in β ladder)trans-97125.2172.7-58.5-170.5000109.2Y18 V20 T63 I64 F73 I180 V184 V187Y18-L71 HydrophobicContact CD2-CD2 4.49Å; Y18-L71 WeakPolarHBondContact O-CA 3.43Å; V20-L71 HydrophobicContact CG2-CD1 4.47Å; V20-L71 HydrophobicContact CG2-CD2 4.2Å; T63-L71 VanDerWaalsContact CA-O 3.3Å; T63-L71 WeakPolarHBondContact CA-O 3.26Å; I64-L71 HydrophobicContact CD1-CD1 4.38Å; I64-L71 HydrophobicContact CG1-CB 4Å; I64-L71 PolarHBondContact N-O 2.93Å; I64-L71 PolarHBondContact O-N 3.07Å; L71-F73 HydrophobicContact CB-CE2 3.97Å; L71-F73 HydrophobicContact CB-CZ 3.88Å; L71-F73 HydrophobicContact CD1-CE1 4.35Å; L71-F73 HydrophobicContact CD1-CZ 3.83Å; L71-I180 HydrophobicContact CD1-CG2 4.23Å; L71-V184 HydrophobicContact CD1-CG2 3.66Å; L71-V184 HydrophobicContact CD2-CG2 4.22Å; L71-V184 HydrophobicContact CG-CG2 4.04Å; L71-V187 HydrophobicContact CD2-CG2 4.14Å
72M96.1Very high92.2Very high22 Ų2243 Ų4311%0.10822%0.223CC..EExtended strand (participates in β ladder)trans-105.6111.8170.2-179.7175.655.900108.6Y18 C19 V20 I61 G62 W74Y18-M72 PolarHBondContact O-N 3.02Å; C19-M72 CarbonylContact C-O 3.46Å; C19-M72 WeakPolarHBondContact CA-O 3.4Å; C19-M72 HydrophobicContact CB-CE 4.32Å; C19-M72 WeakPolarHBondContact SG-CE 3.25Å; V20-M72 PolarHBondContact N-O 3.31Å; I61-M72 HydrophobicContact CG2-CG 3.98Å; I61-M72 HydrophobicContact CG2-SD 4.32Å; G62-M72 CarbonylContact O-C 3.52Å; G62-M72 WeakPolarHBondContact O-CA 3.41Å; M72-W74 HydrophobicContact CE-CZ2 3.43Å; M72-W74 VanDerWaalsContact CE-CZ2 3.43Å
73F97.4Very high92.2Very high0 Ų043.9 Ų43.90%023%0.227CC..EExtended strand (participates in β ladder)trans-88.5137.7179.1-59.6-80.8000111.5V20 I22 L34 T37 I61 G62 I64 L71 I97 I180V20-F73 HydrophobicContact CB-CD1 3.78Å; V20-F73 HydrophobicContact CB-CE1 3.96Å; V20-F73 HydrophobicContact CG1-CD1 3.89Å; V20-F73 HydrophobicContact CG1-CE1 3.91Å; V20-F73 HydrophobicContact CG2-CE1 4.49Å; V20-F73 CarbonylContact O-C 3.58Å; V20-F73 VanDerWaalsContact O-CA 3.23Å; V20-F73 WeakPolarHBondContact O-CA 3.4Å; I22-F73 HydrophobicContact CD1-CB 3.93Å; I22-F73 HydrophobicContact CD1-CD1 3.81Å; I22-F73 HydrophobicContact CD1-CG 4.07Å; I22-F73 HydrophobicContact CG1-CB 4.38Å; I22-F73 HydrophobicContact CG1-CD1 4.01Å; L34-F73 HydrophobicContact CD1-CB 3.54Å; L34-F73 HydrophobicContact CD1-CD2 3.48Å; L34-F73 VanDerWaalsContact CD1-CD2 3.48Å; L34-F73 HydrophobicContact CD1-CE2 4.31Å; L34-F73 HydrophobicContact CD1-CG 3.61Å; L34-F73 HydrophobicContact CD2-CB 4.39Å; T37-F73 HydrophobicContact CG2-CE2 3.97Å; T37-F73 HydrophobicContact CG2-CZ 4.08Å; I61-F73 WeakPolarHBondContact CA-O 3.29Å; G62-F73 PolarHBondContact N-O 2.75Å; G62-F73 PolarHBondContact O-N 2.67Å; I64-F73 HydrophobicContact CD1-CE2 3.75Å; I64-F73 HydrophobicContact CD1-CZ 3.92Å; I64-F73 HydrophobicContact CG1-CE2 3.76Å; I64-F73 HydrophobicContact CG1-CZ 4.32Å; I64-F73 HydrophobicContact CG2-CE2 4.26Å; L71-F73 HydrophobicContact CB-CE2 3.97Å; L71-F73 HydrophobicContact CB-CZ 3.88Å; L71-F73 HydrophobicContact CD1-CE1 4.35Å; L71-F73 HydrophobicContact CD1-CZ 3.83Å; F73-I97 HydrophobicContact CD1-CD1 4.47Å; F73-I97 HydrophobicContact CE1-CD1 3.96Å; F73-I180 HydrophobicContact CE1-CD1 3.97Å; F73-I180 HydrophobicContact CZ-CD1 3.7Å
74W96Very high92Very high11 Ų1144.2 Ų44.24%0.04223%0.232CC..EExtended strand (participates in β ladder)trans-113.999.9167.6-61.3-27.9000108.5C19 V20 L21 I22 L59 M72 Y89 E92C19-W74 HydrophobicContact CB-CD2 4.49Å; C19-W74 HydrophobicContact CB-CE3 4.24Å; C19-W74 HydrophobicContact CB-CH2 3.5Å; C19-W74 VanDerWaalsContact CB-CH2 3.5Å; C19-W74 HydrophobicContact CB-CZ2 3.8Å; C19-W74 HydrophobicContact CB-CZ3 3.73Å; C19-W74 WeakPolarHBondContact SG-CH2 3.29Å; C19-W74 VanDerWaalsContact SG-CZ2 3.52Å; V20-W74 PolarHBondContact O-N 3.4Å; L21-W74 HydrophobicContact CD2-CB 3.97Å; L21-W74 HydrophobicContact CD2-CD2 4.35Å; L21-W74 HydrophobicContact CD2-CE3 3.5Å; L21-W74 HydrophobicContact CD2-CZ3 4.34Å; I22-W74 PolarHBondContact N-O 3.25Å; L59-W74 HydrophobicContact CD1-CB 3.57Å; L59-W74 HydrophobicContact CD1-CG 4.07Å; M72-W74 HydrophobicContact CE-CZ2 3.43Å; M72-W74 VanDerWaalsContact CE-CZ2 3.43Å; W74-Y89 HydrophobicContact CD2-CD1 4.29Å; W74-Y89 AromaticContact CE3-CD1 3.87Å; W74-Y89 HydrophobicContact CE3-CD1 3.87Å; W74-Y89 HydrophobicContact CE3-CG 4.37Å; W74-Y89 HydrophobicContact CZ3-CD1 4.24Å; W74-E92 HydrophobicContact CH2-CB 3.57Å; W74-E92 WeakPolarHBondContact CH2-OE2 3.19Å; W74-E92 HydrophobicContact CZ3-CB 3.73Å
75D94.7Very high91.8Very high0 Ų046.4 Ų46.40%024%0.243CC..EExtended strand (participates in β ladder)trans-87.1108.6175.5170.740.9000108.8I22 K30 T31 L34 T56 N60I22-D75 HydrophobicContact CB-CB 4.42Å; K30-D75 VanDerWaalsContact CB-OD1 3.23Å; K30-D75 WeakPolarHBondContact CB-OD1 3.48Å; T31-D75 WeakPolarHBondContact CA-OD2 3.46Å; T31-D75 WeakPolarHBondContact CB-OD2 3.28Å; T31-D75 PolarHBondContact OG1-OD2 3.04Å; L34-D75 HydrophobicContact CD2-CB 3.78Å; T56-D75 PolarHBondContact OG1-OD2 2.93Å; N60-D75 HydrophobicContact CB-CB 4.08Å; N60-D75 PolarHBondContact N-O 2.78Å; N60-D75 PolarHBondContact O-N 2.86Å
76L93.3Very high91.9Very high2 Ų244.1 Ų44.11%0.0123%0.23CC..EExtended strand (participates in β ladder)trans-98149.9-176.4-64.4-178.8000111.3I22 L23 K30 L59 G78 W86 Y89I22-L76 PolarHBondContact O-N 3.05Å; L23-L76 HydrophobicContact CD2-CB 4.14Å; L23-L76 HydrophobicContact CD2-CD1 3.79Å; L23-L76 HydrophobicContact CD2-CG 4.28Å; K30-L76 WeakPolarHBondContact CE-O 3.27Å; L59-L76 HydrophobicContact CB-CD2 3.96Å; L59-L76 HydrophobicContact CD1-CD2 3.53Å; L59-L76 HydrophobicContact CD1-CG 4.48Å; L59-L76 HydrophobicContact CG-CD2 4.29Å; L76-G78 PolarHBondContact O-N 2.95Å; L76-W86 HydrophobicContact CD1-CB 4.44Å; L76-W86 HydrophobicContact CD1-CG 4.28Å; L76-Y89 HydrophobicContact CD1-CD2 3.6Å; L76-Y89 HydrophobicContact CD1-CE2 4.13Å; L76-Y89 HydrophobicContact CD1-CG 4.25Å; L76-Y89 HydrophobicContact CD2-CD2 3.98Å; L76-Y89 HydrophobicContact CD2-CE2 3.73Å; L76-Y89 HydrophobicContact CG-CD2 4.44Å
77G90.1Very high91.9Very high2 Ų247.4 Ų47.42%0.02125%0.247CC..  trans-53.9138170.300000111.9T56 G58 W86T56-G77 WeakPolarHBondContact O-CA 3.4Å; G58-G77 PolarHBondContact O-N 3.49Å; G58-G77 VanDerWaalsContact O-N 3.08Å; G77-W86 PolarHBondContact O-NE1 2.86Å
78G89Confident92.1Very high0 Ų051 Ų510%024%0.244CC..  trans-100.6-7.9-178.900000115.1G24 D26 L76 Q83G24-G78 VanDerWaalsContact O-CA 3.22Å; G24-G78 WeakPolarHBondContact O-CA 3.43Å; D26-G78 PolarHBondContact N-O 3.37Å; L76-G78 PolarHBondContact O-N 2.95Å; G78-Q83 PolarHBondContact O-NE2 3.1Å
79Q89.8Confident92.5Very high70 Ų7045.1 Ų45.133%0.32722%0.217SC..SBendtrans-61.3142.5175.2-65.8177.7-18.100109.6D26 T55 E81 L82 Q83D26-Q79 HydrophobicContact CB-CG 3.96Å; T55-Q79 HydrophobicContact CG2-CG 4.22Å; Q79-E81 PolarHBondContact O-N 3.06Å; Q79-E81 VanDerWaalsContact O-N 3.1Å; Q79-L82 HydrophobicContact CB-CD1 4.35Å; Q79-L82 HydrophobicContact CB-CG 4.39Å; Q79-L82 CarbonylContact O-C 3.58Å; Q79-L82 WeakPolarHBondContact O-CA 3.43Å; Q79-L82 WeakPolarHBondContact O-CB 3.31Å; Q79-L82 PolarHBondContact O-N 3.06Å; Q79-Q83 WeakPolarHBondContact O-CG 3.19Å; Q79-Q83 PolarHBondContact O-N 3.14Å
80E88.3Confident92.6Very high146 Ų14645.4 Ų45.468%0.68222%0.217SC*.Hα-helixtrans-48.4-42.7-175.3-168.1-178.8172.500112.6L82 Q83E80-L82 VanDerWaalsContact C-N 3.27Å; E80-L82 PolarHBondContact O-N 3.15Å; E80-Q83 PolarHBondContact O-N 2.94Å
81E87.1Confident92.6Very high140 Ų14045.3 Ų45.365%0.65423%0.232SC*.Hα-helixtrans-63.6-34.1179.6-55.981.4-178.200112.4Q79 S84Q79-E81 PolarHBondContact O-N 3.06Å; Q79-E81 VanDerWaalsContact O-N 3.1Å; E81-S84 PolarHBondContact O-OG 2.81Å
82L87.7Confident92.4Very high31 Ų3150.5 Ų50.516%0.16226%0.257CS..Hα-helixtrans-86.4-19-179.1-61179000112.9Q79 E80 S84 L85Q79-L82 HydrophobicContact CB-CD1 4.35Å; Q79-L82 HydrophobicContact CB-CG 4.39Å; Q79-L82 CarbonylContact O-C 3.58Å; Q79-L82 WeakPolarHBondContact O-CA 3.43Å; Q79-L82 WeakPolarHBondContact O-CB 3.31Å; Q79-L82 PolarHBondContact O-N 3.06Å; E80-L82 VanDerWaalsContact C-N 3.27Å; E80-L82 PolarHBondContact O-N 3.15Å; L82-S84 PolarHBondContact O-N 2.89Å; L82-L85 HydrophobicContact CD2-CD1 4.22Å; L82-L85 WeakPolarHBondContact O-CB 3.35Å; L82-L85 PolarHBondContact O-N 2.82Å
83Q90.8Very high92.3Very high23 Ų2349.5 Ų49.511%0.10725%0.252CS..Hα-helixtrans-62.1-24.3176.3-62.2-176.618.300112.1G78 Q79 E80 L85 W86G78-Q83 PolarHBondContact O-NE2 3.1Å; Q79-Q83 WeakPolarHBondContact O-CG 3.19Å; Q79-Q83 PolarHBondContact O-N 3.14Å; E80-Q83 PolarHBondContact O-N 2.94Å; Q83-L85 PolarHBondContact O-N 3.11Å; Q83-L85 VanDerWaalsContact O-N 3.11Å; Q83-W86 HydrophobicContact CB-CD2 4.22Å; Q83-W86 HydrophobicContact CB-CE3 4.49Å; Q83-W86 HydrophobicContact CB-CZ2 4.3Å; Q83-W86 HydrophobicContact CG-CD2 4.45Å; Q83-W86 HydrophobicContact CG-CH2 3.93Å; Q83-W86 HydrophobicContact CG-CZ2 3.64Å; Q83-W86 HydrophobicContact CG-CZ3 4.45Å; Q83-W86 WeakPolarHBondContact O-CB 3.24Å; Q83-W86 PolarHBondContact O-N 2.85Å; Q83-W86 VanDerWaalsContact O-N 3.12Å
84S88.9Confident92.4Very high70 Ų7050.3 Ų50.349%0.4926%0.255SS..THydrogen-bonded Turntrans-60.6-13.7171.468.90000114.4E81 L82E81-S84 PolarHBondContact O-OG 2.81Å; L82-S84 PolarHBondContact O-N 2.89Å
85L90.3Very high92.5Very high47 Ų4749.8 Ų49.825%0.24625%0.253CS..THydrogen-bonded Turntrans-91.5-12.8177.5-61.2176000113.2L82 Q83 D87 K88 Y89L82-L85 HydrophobicContact CD2-CD1 4.22Å; L82-L85 WeakPolarHBondContact O-CB 3.35Å; L82-L85 PolarHBondContact O-N 2.82Å; Q83-L85 PolarHBondContact O-N 3.11Å; Q83-L85 VanDerWaalsContact O-N 3.11Å; L85-D87 VanDerWaalsContact C-N 3.34Å; L85-D87 PolarHBondContact O-N 2.85Å; L85-K88 HydrophobicContact CD2-CD 4.07Å; L85-K88 VanDerWaalsContact CD2-NZ 3.31Å; L85-K88 WeakPolarHBondContact O-CB 3.44Å; L85-K88 PolarHBondContact O-N 2.57Å; L85-Y89 WeakPolarHBondContact O-CD2 3.44Å; L85-Y89 WeakPolarHBondContact O-CE2 3.28Å
86W94.9Very high92.6Very high5 Ų549.9 Ų49.92%0.01925%0.254CS..SBendtrans-62.6-41.7-172.9-67.40.2000112.4L23 L76 G77 Q83 K88 Y89 Y90 Y98 A114 M118L23-W86 HydrophobicContact CB-CH2 4.43Å; L23-W86 HydrophobicContact CB-CZ2 4.38Å; L23-W86 HydrophobicContact CD1-CD2 4.44Å; L23-W86 HydrophobicContact CD1-CE3 4.35Å; L23-W86 HydrophobicContact CD2-CB 4.42Å; L23-W86 HydrophobicContact CD2-CD2 3.92Å; L23-W86 HydrophobicContact CD2-CG 3.85Å; L76-W86 HydrophobicContact CD1-CB 4.44Å; L76-W86 HydrophobicContact CD1-CG 4.28Å; G77-W86 PolarHBondContact O-NE1 2.86Å; Q83-W86 HydrophobicContact CB-CD2 4.22Å; Q83-W86 HydrophobicContact CB-CE3 4.49Å; Q83-W86 HydrophobicContact CB-CZ2 4.3Å; Q83-W86 HydrophobicContact CG-CD2 4.45Å; Q83-W86 HydrophobicContact CG-CH2 3.93Å; Q83-W86 HydrophobicContact CG-CZ2 3.64Å; Q83-W86 HydrophobicContact CG-CZ3 4.45Å; Q83-W86 WeakPolarHBondContact O-CB 3.24Å; Q83-W86 PolarHBondContact O-N 2.85Å; Q83-W86 VanDerWaalsContact O-N 3.12Å; W86-K88 PolarHBondContact O-N 3.04Å; W86-Y89 PolarHBondContact O-N 3.31Å; W86-Y90 VanDerWaalsContact C-CE1 3.46Å; W86-Y90 HydrophobicContact CB-CE1 3.72Å; W86-Y90 VanDerWaalsContact CB-OH 3.3Å; W86-Y90 WeakPolarHBondContact CB-OH 3.3Å; W86-Y90 WeakPolarHBondContact O-CD1 3.33Å; W86-Y90 WeakPolarHBondContact O-CE1 3.47Å; W86-Y98 HydrophobicContact CH2-CE2 4.33Å; W86-Y98 HydrophobicContact CZ3-CE2 4.42Å; W86-A114 HydrophobicContact CH2-CB 4.17Å; W86-A114 HydrophobicContact CZ3-CB 4.15Å; W86-M118 HydrophobicContact CE3-CB 4.5Å
87D93.6Very high92.9Very high98 Ų9849.8 Ų49.852%0.52425%0.254SS..Hα-helixtrans-60-31.7-177.264.2-10.4000113.7L85 Y89 Y90L85-D87 VanDerWaalsContact C-N 3.34Å; L85-D87 PolarHBondContact O-N 2.85Å; D87-Y89 PolarHBondContact O-N 3.42Å; D87-Y89 VanDerWaalsContact O-N 3.15Å; D87-Y90 HydrophobicContact CB-CD2 4.15Å; D87-Y90 HydrophobicContact CB-CE2 4.04Å; D87-Y90 PolarHBondContact O-N 2.89Å
88K94Very high93.3Very high140 Ų14049.7 Ų49.761%0.60925%0.253SS*.Hα-helixtrans-60.7-22.7176.4-59.7-178.4-176.9175.70113.5L85 W86L85-K88 HydrophobicContact CD2-CD 4.07Å; L85-K88 VanDerWaalsContact CD2-NZ 3.31Å; L85-K88 WeakPolarHBondContact O-CB 3.44Å; L85-K88 PolarHBondContact O-N 2.57Å; W86-K88 PolarHBondContact O-N 3.04Å
89Y95Very high93.7Very high60 Ų6049.8 Ų49.824%0.23525%0.253CS..Hα-helixtrans-107.7-6-176.8-59.2-88000113.7L59 W74 L76 L85 W86 D87 A91 E92 S93L59-Y89 HydrophobicContact CD2-CE1 3.91Å; W74-Y89 HydrophobicContact CD2-CD1 4.29Å; W74-Y89 AromaticContact CE3-CD1 3.87Å; W74-Y89 HydrophobicContact CE3-CD1 3.87Å; W74-Y89 HydrophobicContact CE3-CG 4.37Å; W74-Y89 HydrophobicContact CZ3-CD1 4.24Å; L76-Y89 HydrophobicContact CD1-CD2 3.6Å; L76-Y89 HydrophobicContact CD1-CE2 4.13Å; L76-Y89 HydrophobicContact CD1-CG 4.25Å; L76-Y89 HydrophobicContact CD2-CD2 3.98Å; L76-Y89 HydrophobicContact CD2-CE2 3.73Å; L76-Y89 HydrophobicContact CG-CD2 4.44Å; L85-Y89 WeakPolarHBondContact O-CD2 3.44Å; L85-Y89 WeakPolarHBondContact O-CE2 3.28Å; W86-Y89 PolarHBondContact O-N 3.31Å; D87-Y89 PolarHBondContact O-N 3.42Å; D87-Y89 VanDerWaalsContact O-N 3.15Å; Y89-A91 PolarHBondContact O-N 2.86Å; Y89-E92 PolarHBondContact O-N 2.61Å; Y89-S93 PolarHBondContact O-N 2.63Å
90Y96Very high94.1Very high12 Ų1246.5 Ų46.55%0.04724%0.238CC..Hα-helixtrans-63.3-43.9-176.1-67.9-11.9000112.8L21 L23 W86 D87 E92 S93 M118 S121 L124L21-Y90 HydrophobicContact CD1-CD1 3.61Å; L21-Y90 HydrophobicContact CD1-CE1 4.12Å; L23-Y90 HydrophobicContact CD1-CE1 3.93Å; W86-Y90 VanDerWaalsContact C-CE1 3.46Å; W86-Y90 HydrophobicContact CB-CE1 3.72Å; W86-Y90 VanDerWaalsContact CB-OH 3.3Å; W86-Y90 WeakPolarHBondContact CB-OH 3.3Å; W86-Y90 WeakPolarHBondContact O-CD1 3.33Å; W86-Y90 WeakPolarHBondContact O-CE1 3.47Å; D87-Y90 HydrophobicContact CB-CD2 4.15Å; D87-Y90 HydrophobicContact CB-CE2 4.04Å; D87-Y90 PolarHBondContact O-N 2.89Å; Y90-E92 VanDerWaalsContact C-N 3.25Å; Y90-E92 PolarHBondContact O-N 3.31Å; Y90-S93 WeakPolarHBondContact O-CB 3.09Å; Y90-S93 PolarHBondContact O-N 2.83Å; Y90-S93 VanDerWaalsContact O-N 3.08Å; Y90-S93 PolarHBondContact O-OG 3.48Å; Y90-M118 HydrophobicContact CE1-CG 4.18Å; Y90-M118 WeakPolarHBondContact OH-CG 3.31Å; Y90-S121 WeakPolarHBondContact CD2-OG 3.22Å; Y90-L124 HydrophobicContact CD1-CD1 3.91Å; Y90-L124 HydrophobicContact CD1-CD2 4.01Å; Y90-L124 HydrophobicContact CD1-CG 4.13Å; Y90-L124 HydrophobicContact CD2-CD1 4.13Å; Y90-L124 HydrophobicContact CD2-CG 4.1Å; Y90-L124 HydrophobicContact CE1-CD1 4.03Å; Y90-L124 HydrophobicContact CE2-CD1 4.26Å; Y90-L124 HydrophobicContact CG-CD1 3.97Å; Y90-L124 HydrophobicContact CG-CD2 3.91Å; Y90-L124 HydrophobicContact CG-CG 3.81Å
91A94.4Very high94.6Very high72 Ų7240.2 Ų40.260%0.59521%0.209SC*.THydrogen-bonded Turntrans-62-32.2-176.300000113.2Y89Y89-A91 PolarHBondContact O-N 2.86Å
92E92.2Very high95.1Very high110 Ų11033.5 Ų33.551%0.51418%0.178SC..THydrogen-bonded Turntrans-91-4.1179.9-57.2-171.7168.100113.1C19 W74 Y89 Y90 H94C19-E92 WeakPolarHBondContact CB-O 3.16Å; W74-E92 HydrophobicContact CH2-CB 3.57Å; W74-E92 WeakPolarHBondContact CH2-OE2 3.19Å; W74-E92 HydrophobicContact CZ3-CB 3.73Å; Y89-E92 PolarHBondContact O-N 2.61Å; Y90-E92 VanDerWaalsContact C-N 3.25Å; Y90-E92 PolarHBondContact O-N 3.31Å; E92-H94 PolarHBondContact O-CE1 2.79Å; E92-H94 PolarHBondContact O-ND1 3.28Å; E92-H94 VanDerWaalsContact O-ND1 3.15Å
93S95.9Very high95.5Very high0 Ų034.3 Ų34.30%018%0.184CC..  trans-78.8135-177.875.30000112Y89 Y90 L124Y89-S93 PolarHBondContact O-N 2.63Å; Y90-S93 WeakPolarHBondContact O-CB 3.09Å; Y90-S93 PolarHBondContact O-N 2.83Å; Y90-S93 VanDerWaalsContact O-N 3.08Å; Y90-S93 PolarHBondContact O-OG 3.48Å; S93-L124 WeakPolarHBondContact OG-CD2 3.32Å
94H97.9Very high95.8Very high17 Ų1734.6 Ų34.68%0.07919%0.186CC..SBendtrans-100.7-19.5174.5-56.169000111.2Y18 C19 E92 P128 V187 P194Y18-H94 HydrophobicContact CD1-CB 4.08Å; Y18-H94 AromaticContact CD1-CD2 3.72Å; C19-H94 PolarHBondContact N-ND1 3.27Å; C19-H94 WeakPolarHBondContact O-CA 3.44Å; C19-H94 WeakPolarHBondContact O-CB 3.22Å; C19-H94 PolarHBondContact O-N 3.08Å; E92-H94 PolarHBondContact O-CE1 2.79Å; E92-H94 PolarHBondContact O-ND1 3.28Å; E92-H94 VanDerWaalsContact O-ND1 3.15Å; H94-P128 WeakPolarHBondContact O-CD 3.47Å; H94-P128 WeakPolarHBondContact O-CG 3.33Å; H94-V187 HydrophobicContact CB-CB 4.48Å; H94-V187 HydrophobicContact CB-CG1 4.36Å; H94-V187 WeakPolarHBondContact O-CG1 3.36Å; H94-P194 PolarHBondContact CD2-O 3.37Å; H94-P194 PolarHBondContact NE2-O 3.46Å
95G98.1Very high96Very high0 Ų038 Ų380%019%0.194CC..EExtended strand (participates in β ladder)trans-157.7158.5174.500000111.4C19 V20 L21C19-G95 PolarHBondContact O-N 2.92Å; V20-G95 CarbonylContact C-O 3.47Å; V20-G95 VanDerWaalsContact CA-O 3.31Å; V20-G95 WeakPolarHBondContact CA-O 3.5Å; L21-G95 PolarHBondContact N-O 3.48Å
96V98.4Very high96.2Very high3 Ų344.4 Ų44.42%0.01822%0.223CC..EExtended strand (participates in β ladder)trans-126.6132.9178179.30000109.7L21 L23 M118 L124 V127 P128 L129 L130 M183L21-V96 HydrophobicContact CB-CG2 4.32Å; L21-V96 HydrophobicContact CD1-CG2 4.28Å; L23-V96 HydrophobicContact CD1-CG1 3.99Å; L23-V96 HydrophobicContact CG-CG1 4.44Å; V96-M118 HydrophobicContact CG1-CE 4.26Å; V96-M118 HydrophobicContact CG1-SD 4.19Å; V96-L124 HydrophobicContact CG2-CD1 4.26Å; V96-L124 HydrophobicContact CG2-CD2 3.87Å; V96-V127 HydrophobicContact CG2-CG1 4.01Å; V96-P128 PolarHBondContact N-O 3.36Å; V96-L129 HydrophobicContact CB-CD1 4.04Å; V96-L129 HydrophobicContact CG1-CD1 3.87Å; V96-L129 WeakPolarHBondContact O-CA 3.45Å; V96-L130 PolarHBondContact O-N 3.46Å; V96-M183 VanDerWaalsContact O-CE 3.26Å; V96-M183 WeakPolarHBondContact O-CE 3.29Å
97I98.6Very high96.3Very high0 Ų047.1 Ų47.10%023%0.233CC..EExtended strand (participates in β ladder)trans-109.5117.7167.5-56.9-179.7000107V20 L21 I22 L23 F33 F73 V99 L130 L132 I180 M183V20-I97 HydrophobicContact CG1-CD1 3.88Å; V20-I97 HydrophobicContact CG1-CG1 3.76Å; L21-I97 PolarHBondContact O-N 3.4Å; I22-I97 WeakPolarHBondContact CA-O 3.22Å; I22-I97 HydrophobicContact CG1-CB 4.45Å; L23-I97 PolarHBondContact N-O 2.72Å; F33-I97 HydrophobicContact CE1-CD1 3.8Å; F33-I97 HydrophobicContact CE1-CG2 4.46Å; F33-I97 HydrophobicContact CZ-CD1 4.36Å; F73-I97 HydrophobicContact CD1-CD1 4.47Å; F73-I97 HydrophobicContact CE1-CD1 3.96Å; I97-V99 HydrophobicContact CG2-CG2 4.14Å; I97-L130 CarbonylContact C-O 3.5Å; I97-L130 VanDerWaalsContact CA-O 3.28Å; I97-L130 WeakPolarHBondContact CA-O 3.46Å; I97-L130 HydrophobicContact CD1-CD2 4.31Å; I97-L130 HydrophobicContact CG1-CB 4.25Å; I97-L130 HydrophobicContact CG1-CD2 4.19Å; I97-L130 HydrophobicContact CG2-CD2 4.48Å; I97-L132 HydrophobicContact CG2-CD1 3.49Å; I97-L132 VanDerWaalsContact CG2-CD1 3.49Å; I97-L132 HydrophobicContact CG2-CG 3.91Å; I97-I180 HydrophobicContact CD1-CD1 4.13Å; I97-M183 HydrophobicContact CG1-CE 3.75Å
98Y98.5Very high96.4Very high0 Ų043.4 Ų43.40%021%0.213CC..EExtended strand (participates in β ladder)trans-105.8120.1173.5-167.2-92.4000109.5L23 W86 I100 S111 F115 M118 L130 I131 L132L23-Y98 HydrophobicContact CB-CD2 4.02Å; L23-Y98 WeakPolarHBondContact O-CA 3.48Å; W86-Y98 HydrophobicContact CH2-CE2 4.33Å; W86-Y98 HydrophobicContact CZ3-CE2 4.42Å; Y98-I100 HydrophobicContact CD1-CD1 4.29Å; Y98-I100 HydrophobicContact CD1-CG1 3.75Å; Y98-I100 HydrophobicContact CE1-CD1 4.34Å; Y98-I100 HydrophobicContact CE1-CG1 3.68Å; Y98-S111 PolarHBondContact OH-O 3.25Å; Y98-S111 PolarHBondContact OH-OG 3.08Å; Y98-F115 HydrophobicContact CD1-CB 4.5Å; Y98-F115 AromaticContact CD1-CD2 3.68Å; Y98-F115 HydrophobicContact CD1-CD2 3.68Å; Y98-F115 HydrophobicContact CD1-CE2 4.38Å; Y98-F115 HydrophobicContact CD1-CG 4.47Å; Y98-F115 HydrophobicContact CD2-CD2 4Å; Y98-F115 HydrophobicContact CE1-CB 3.91Å; Y98-F115 AromaticContact CE1-CD2 3.96Å; Y98-F115 HydrophobicContact CE1-CD2 3.96Å; Y98-F115 HydrophobicContact CE1-CG 4.34Å; Y98-F115 HydrophobicContact CE2-CB 4.11Å; Y98-F115 HydrophobicContact CE2-CD2 4.25Å; Y98-F115 AromaticContact CG-CD2 3.71Å; Y98-F115 HydrophobicContact CG-CD2 3.71Å; Y98-F115 HydrophobicContact CG-CE2 4.32Å; Y98-M118 HydrophobicContact CD2-CE 3.68Å; Y98-M118 HydrophobicContact CE2-CE 4.39Å; Y98-M118 HydrophobicContact CG-CE 4.19Å; Y98-L130 PolarHBondContact N-O 3.32Å; Y98-I131 WeakPolarHBondContact O-CA 3.5Å; Y98-L132 PolarHBondContact O-N 3.08Å
99V98.4Very high96.4Very high1 Ų140.3 Ų40.31%0.00621%0.209CC..EExtended strand (participates in β ladder)trans-102.6121.8-176.1-169.90000109.7I22 L23 A28 K30 I97 L132 N134I22-V99 HydrophobicContact CG2-CG2 3.94Å; L23-V99 PolarHBondContact O-N 2.72Å; A28-V99 HydrophobicContact CB-CB 4.42Å; A28-V99 HydrophobicContact CB-CG1 4.21Å; A28-V99 WeakPolarHBondContact O-CG1 3.41Å; K30-V99 HydrophobicContact CG-CB 3.98Å; K30-V99 HydrophobicContact CG-CG2 3.96Å; I97-V99 HydrophobicContact CG2-CG2 4.14Å; V99-L132 HydrophobicContact CG2-CD1 4.34Å; V99-N134 HydrophobicContact CG1-CB 3.71Å
100I98.3Very high96.5Very high2 Ų240.3 Ų40.31%0.0121%0.211CC..EExtended strand (participates in β ladder)trans-105.1132.1176.3-61.5172.6000108.5Y98 S102 L108 I131 L132 N134 I147 F151Y98-I100 HydrophobicContact CD1-CD1 4.29Å; Y98-I100 HydrophobicContact CD1-CG1 3.75Å; Y98-I100 HydrophobicContact CE1-CD1 4.34Å; Y98-I100 HydrophobicContact CE1-CG1 3.68Å; I100-S102 PolarHBondContact O-N 3.15Å; I100-L108 HydrophobicContact CG2-CD1 4.01Å; I100-I131 HydrophobicContact CD1-CG2 3.6Å; I100-I131 HydrophobicContact CG1-CG2 4.3Å; I100-L132 PolarHBondContact N-O 3.47Å; I100-N134 WeakPolarHBondContact O-CB 3.41Å; I100-N134 PolarHBondContact O-N 3.08Å; I100-I147 HydrophobicContact CD1-CG2 3.74Å; I100-I147 HydrophobicContact CG2-CD1 4.12Å; I100-I147 HydrophobicContact CG2-CG2 4.44Å; I100-F151 HydrophobicContact CD1-CE1 4.02Å; I100-F151 HydrophobicContact CD1-CE2 4.15Å; I100-F151 HydrophobicContact CD1-CZ 3.8Å; I100-F151 HydrophobicContact CG1-CZ 4.44Å
101D97.6Very high96.5Very high13 Ų1340 Ų407%0.0721%0.211CC..EExtended strand (participates in β ladder)trans-77.7109.5167.8-168.2-20.2000109.7A28 T103 D104 K135A28-D101 HydrophobicContact CB-CB 4.33Å; D101-T103 PolarHBondContact O-N 3.42Å; D101-T103 WeakPolarHBondContact OD1-CB 3.49Å; D101-T103 PolarHBondContact OD1-N 3.07Å; D101-T103 PolarHBondContact OD1-OG1 3.24Å; D101-D104 HydrophobicContact CB-CB 3.97Å; D101-K135 WeakPolarHBondContact OD1-CD 3.41Å; D101-K135 IonicContact OD1-NZ 2.74Å; D101-K135 VanDerWaalsContact OD2-CE 3.24Å; D101-K135 WeakPolarHBondContact OD2-CE 3.33Å; D101-K135 IonicContact OD2-NZ 3.11Å; D101-K135 PolarHBondContact OD2-NZ 3.4Å
102S97.5Very high96.6Very high0 Ų038.5 Ų38.50%019%0.191CC..THydrogen-bonded Turntrans-74.5-7.9179.160.20000114.1I100 N134 Q136 C141 L142I100-S102 PolarHBondContact O-N 3.15Å; S102-N134 VanDerWaalsContact CB-O 3.31Å; S102-N134 WeakPolarHBondContact CB-O 3.46Å; S102-N134 PolarHBondContact N-O 3.35Å; S102-N134 PolarHBondContact OG-O 3.09Å; S102-Q136 VanDerWaalsContact CB-NE2 3.26Å; S102-Q136 PolarHBondContact OG-NE2 2.94Å; S102-C141 CarbonylContact O-C 3.6Å; S102-C141 WeakPolarHBondContact O-CA 3.31Å; S102-C141 WeakPolarHBondContact OG-CB 3.4Å; S102-L142 WeakPolarHBondContact O-CB 3.27Å; S102-L142 WeakPolarHBondContact O-CG 3.31Å; S102-L142 PolarHBondContact O-N 3.49Å
103T96.9Very high96.8Very high48 Ų4839.9 Ų39.929%0.29420%0.197SC..THydrogen-bonded Turntrans-95.9-10.5-179.364.70000113.4D101 K135 V138 C141D101-T103 PolarHBondContact O-N 3.42Å; D101-T103 WeakPolarHBondContact OD1-CB 3.49Å; D101-T103 PolarHBondContact OD1-N 3.07Å; D101-T103 PolarHBondContact OD1-OG1 3.24Å; T103-K135 HydrophobicContact CG2-CB 3.9Å; T103-K135 HydrophobicContact CG2-CD 4.43Å; T103-V138 HydrophobicContact CG2-CB 3.53Å; T103-V138 HydrophobicContact CG2-CG1 3.69Å; T103-V138 HydrophobicContact CG2-CG2 3.81Å; T103-C141 HydrophobicContact CG2-CB 3.95Å
104D95.6Very high96.8Very high29 Ų2940.2 Ų40.216%0.15520%0.2CC..  trans-108.275.4-171.9-161.6-25.6000110.6D101 E106 R107 L108D101-D104 HydrophobicContact CB-CB 3.97Å; D104-E106 VanDerWaalsContact C-N 3.28Å; D104-E106 PolarHBondContact O-N 3.11Å; D104-R107 WeakPolarHBondContact OD1-CB 3.38Å; D104-R107 PolarHBondContact OD1-N 3.02Å; D104-R107 VanDerWaalsContact OD1-N 3.07Å; D104-R107 IonicContact OD1-NE 2.86Å; D104-R107 IonicContact OD2-CZ 2.75Å; D104-R107 IonicContact OD2-NE 3.77Å; D104-R107 PolarHBondContact OD2-NE 3.24Å; D104-R107 IonicContact OD2-NH2 2.61Å; D104-R107 PolarHBondContact OD2-NH2 3.1Å; D104-L108 PolarHBondContact O-N 3.38Å
105E94.4Very high96.7Very high141 Ų14139.5 Ų39.566%0.65920%0.197SC*.SBendtrans-66.1-33179.9-170.7174.117400111.9R107 L108 L142E105-R107 PolarHBondContact O-N 2.98Å; E105-L108 VanDerWaalsContact O-CB 3.27Å; E105-L108 WeakPolarHBondContact O-CB 3.47Å; E105-L108 PolarHBondContact O-N 3.12Å; E105-L142 HydrophobicContact CB-CD1 4.33Å; E105-L142 HydrophobicContact CG-CD1 4.33Å
106E94.8Very high96.6Very high182 Ų18241.4 Ų41.485%0.8521%0.205SC*.THydrogen-bonded Turntrans-63.8-41-179.8-64.4-174.1172.800112.1D104D104-E106 VanDerWaalsContact C-N 3.28Å; D104-E106 PolarHBondContact O-N 3.11Å
107R95.6Very high96.4Very high61 Ų6148.3 Ų48.323%0.2324%0.235CC..THydrogen-bonded Turntrans-93.810.6177.9-60.8-168.2-67.4158.74.9113.8L25 D26 D104 E105 S109 E110 S111L25-R107 HydrophobicContact CD1-CB 4.01Å; D26-R107 IonicContact OD1-NH1 2.73Å; D26-R107 PolarHBondContact OD1-NH1 2.92Å; D26-R107 IonicContact OD2-NH1 3.7Å; D26-R107 PolarHBondContact OD2-NH1 2.83Å; D26-R107 VanDerWaalsContact OD2-NH1 3.11Å; D104-R107 WeakPolarHBondContact OD1-CB 3.38Å; D104-R107 PolarHBondContact OD1-N 3.02Å; D104-R107 VanDerWaalsContact OD1-N 3.07Å; D104-R107 IonicContact OD1-NE 2.86Å; D104-R107 IonicContact OD2-CZ 2.75Å; D104-R107 IonicContact OD2-NE 3.77Å; D104-R107 PolarHBondContact OD2-NE 3.24Å; D104-R107 IonicContact OD2-NH2 2.61Å; D104-R107 PolarHBondContact OD2-NH2 3.1Å; E105-R107 PolarHBondContact O-N 2.98Å; R107-S109 VanDerWaalsContact C-N 3.3Å; R107-S109 PolarHBondContact O-N 2.97Å; R107-E110 HydrophobicContact CB-CB 4.47Å; R107-E110 WeakPolarHBondContact CD-OE2 3.35Å; R107-E110 WeakPolarHBondContact O-CB 3.34Å; R107-E110 PolarHBondContact O-N 3.19Å; R107-S111 PolarHBondContact O-N 3.01Å
108L95.3Very high96.3Very high21 Ų2148.4 Ų48.411%0.1124%0.236CC..Hα-helixtrans-65.1-36179.3-167.565.9000112.1I100 D104 E105 S111 K112 L142 I147 A150 F151I100-L108 HydrophobicContact CG2-CD1 4.01Å; D104-L108 PolarHBondContact O-N 3.38Å; E105-L108 VanDerWaalsContact O-CB 3.27Å; E105-L108 WeakPolarHBondContact O-CB 3.47Å; E105-L108 PolarHBondContact O-N 3.12Å; L108-S111 PolarHBondContact O-N 3.11Å; L108-K112 WeakPolarHBondContact O-CB 3.26Å; L108-K112 PolarHBondContact O-N 3.44Å; L108-L142 HydrophobicContact CD2-CD1 3.8Å; L108-I147 HydrophobicContact CD1-CD1 3.67Å; L108-I147 HydrophobicContact CD2-CD1 4.21Å; L108-A150 HydrophobicContact CD2-CB 3.69Å; L108-A150 HydrophobicContact CG-CB 4.47Å; L108-F151 HydrophobicContact CD1-CE2 3.69Å; L108-F151 HydrophobicContact CD1-CZ 4.33Å; L108-F151 HydrophobicContact CG-CE2 4.03Å
109S95.4Very high96.1Very high74 Ų7448.5 Ų48.552%0.51724%0.236SC..Hα-helixtrans-63.9-46.1173.851.60000111.8R107 S111 K112 E113R107-S109 VanDerWaalsContact C-N 3.3Å; R107-S109 PolarHBondContact O-N 2.97Å; S109-S111 VanDerWaalsContact C-N 3.31Å; S109-S111 PolarHBondContact O-N 2.81Å; S109-K112 WeakPolarHBondContact O-CB 3.24Å; S109-K112 PolarHBondContact O-N 3.26Å; S109-K112 VanDerWaalsContact O-N 3.12Å; S109-E113 WeakPolarHBondContact O-CG 3.31Å; S109-E113 PolarHBondContact O-N 3.4Å
110E96.1Very high95.9Very high61 Ų6152.1 Ų52.129%0.28526%0.261SS..Hα-helixtrans-59-43.9175-173-163.7152.100111L25 R107 K112 E113 A114L25-E110 HydrophobicContact CD1-CB 4.09Å; L25-E110 HydrophobicContact CD1-CG 4.08Å; L25-E110 HydrophobicContact CD2-CG 4.14Å; R107-E110 HydrophobicContact CB-CB 4.47Å; R107-E110 WeakPolarHBondContact CD-OE2 3.35Å; R107-E110 WeakPolarHBondContact O-CB 3.34Å; R107-E110 PolarHBondContact O-N 3.19Å; E110-K112 VanDerWaalsContact C-N 3.32Å; E110-K112 PolarHBondContact O-N 3.26Å; E110-E113 PolarHBondContact O-N 3.15Å; E110-A114 PolarHBondContact O-N 3.24Å
111S96.8Very high95.7Very high5 Ų553.6 Ų53.64%0.03527%0.271CS..Hα-helixtrans-63.1-40.3176.1-1750000111.2Y98 R107 L108 S109 A114 F115Y98-S111 PolarHBondContact OH-O 3.25Å; Y98-S111 PolarHBondContact OH-OG 3.08Å; R107-S111 PolarHBondContact O-N 3.01Å; L108-S111 PolarHBondContact O-N 3.11Å; S109-S111 VanDerWaalsContact C-N 3.31Å; S109-S111 PolarHBondContact O-N 2.81Å; S111-A114 PolarHBondContact O-N 2.91Å; S111-F115 VanDerWaalsContact O-CB 3.24Å; S111-F115 WeakPolarHBondContact O-CB 3.34Å; S111-F115 PolarHBondContact O-N 3.18Å
112K96.5Very high95.5Very high41 Ų4161.1 Ų61.118%0.17831%0.306CS..Hα-helixtrans-61.3-46.2174.9-177.6-178.8177174.60111.4L108 S109 E110 A114 F115 E116 A150 F151 D153L108-K112 WeakPolarHBondContact O-CB 3.26Å; L108-K112 PolarHBondContact O-N 3.44Å; S109-K112 WeakPolarHBondContact O-CB 3.24Å; S109-K112 PolarHBondContact O-N 3.26Å; S109-K112 VanDerWaalsContact O-N 3.12Å; E110-K112 VanDerWaalsContact C-N 3.32Å; E110-K112 PolarHBondContact O-N 3.26Å; K112-A114 PolarHBondContact O-N 2.92Å; K112-F115 WeakPolarHBondContact O-CB 3.42Å; K112-F115 PolarHBondContact O-N 3.45Å; K112-E116 HydrophobicContact CG-CG 4.43Å; K112-E116 WeakPolarHBondContact O-CB 3.47Å; K112-E116 VanDerWaalsContact O-CG 3.31Å; K112-E116 WeakPolarHBondContact O-CG 3.44Å; K112-E116 PolarHBondContact O-N 2.95Å; K112-A150 WeakPolarHBondContact CD-O 3.38Å; K112-A150 WeakPolarHBondContact CE-O 3.49Å; K112-A150 PolarHBondContact NZ-O 2.91Å; K112-F151 HydrophobicContact CB-CD1 4.36Å; K112-F151 HydrophobicContact CB-CE1 3.92Å; K112-F151 HydrophobicContact CB-CE2 4.28Å; K112-F151 HydrophobicContact CB-CZ 3.86Å; K112-F151 HydrophobicContact CG-CD1 4.24Å; K112-F151 HydrophobicContact CG-CE1 4.27Å; K112-D153 IonicContact NZ-OD2 3.38Å; K112-D153 PolarHBondContact NZ-OD2 3.49Å
113E95.4Very high95.4Very high139 Ų13962.6 Ų62.665%0.6532%0.319SS*.Hα-helixtrans-61.1-45.9178.1-71178.5-172.800112.1S109 E110 F115 E116 K117S109-E113 WeakPolarHBondContact O-CG 3.31Å; S109-E113 PolarHBondContact O-N 3.4Å; E110-E113 PolarHBondContact O-N 3.15Å; E113-F115 VanDerWaalsContact C-N 3.34Å; E113-F115 PolarHBondContact O-N 3Å; E113-E116 PolarHBondContact O-N 2.83Å; E113-K117 WeakPolarHBondContact O-CB 3.41Å; E113-K117 PolarHBondContact O-N 3.22Å
114A96.3Very high95.3Very high6 Ų660.5 Ų60.55%0.0531%0.305CS..Hα-helixtrans-62.7-40.417600000112.2L25 W86 E110 S111 K112 M118L25-A114 HydrophobicContact CD2-CB 4.16Å; W86-A114 HydrophobicContact CH2-CB 4.17Å; W86-A114 HydrophobicContact CZ3-CB 4.15Å; E110-A114 PolarHBondContact O-N 3.24Å; S111-A114 PolarHBondContact O-N 2.91Å; K112-A114 PolarHBondContact O-N 2.92Å; A114-M118 WeakPolarHBondContact O-CB 3.36Å; A114-M118 PolarHBondContact O-N 3.23Å
115F96.9Very high95.2Very high2 Ų266 Ų661%0.00933%0.33CS..Hα-helixtrans-61.7-47.6174.4176.3-104.6000111.4Y98 S111 K112 E113 K117 M118 I119 L129 I131 F151 I158Y98-F115 HydrophobicContact CD1-CB 4.5Å; Y98-F115 AromaticContact CD1-CD2 3.68Å; Y98-F115 HydrophobicContact CD1-CD2 3.68Å; Y98-F115 HydrophobicContact CD1-CE2 4.38Å; Y98-F115 HydrophobicContact CD1-CG 4.47Å; Y98-F115 HydrophobicContact CD2-CD2 4Å; Y98-F115 HydrophobicContact CE1-CB 3.91Å; Y98-F115 AromaticContact CE1-CD2 3.96Å; Y98-F115 HydrophobicContact CE1-CD2 3.96Å; Y98-F115 HydrophobicContact CE1-CG 4.34Å; Y98-F115 HydrophobicContact CE2-CB 4.11Å; Y98-F115 HydrophobicContact CE2-CD2 4.25Å; Y98-F115 AromaticContact CG-CD2 3.71Å; Y98-F115 HydrophobicContact CG-CD2 3.71Å; Y98-F115 HydrophobicContact CG-CE2 4.32Å; S111-F115 VanDerWaalsContact O-CB 3.24Å; S111-F115 WeakPolarHBondContact O-CB 3.34Å; S111-F115 PolarHBondContact O-N 3.18Å; K112-F115 WeakPolarHBondContact O-CB 3.42Å; K112-F115 PolarHBondContact O-N 3.45Å; E113-F115 VanDerWaalsContact C-N 3.34Å; E113-F115 PolarHBondContact O-N 3Å; F115-K117 PolarHBondContact O-N 3.44Å; F115-M118 HydrophobicContact CD2-CE 3.69Å; F115-M118 HydrophobicContact CE2-CE 3.95Å; F115-M118 WeakPolarHBondContact O-CB 3.41Å; F115-M118 PolarHBondContact O-N 2.8Å; F115-I119 HydrophobicContact CD1-CD1 3.91Å; F115-I119 HydrophobicContact CD1-CG2 4.35Å; F115-I119 HydrophobicContact CD2-CG2 4.05Å; F115-I119 HydrophobicContact CE1-CD1 3.55Å; F115-I119 HydrophobicContact CE1-CG2 3.97Å; F115-I119 HydrophobicContact CE2-CG2 3.64Å; F115-I119 HydrophobicContact CG-CG2 4.39Å; F115-I119 HydrophobicContact CZ-CD1 4.17Å; F115-I119 HydrophobicContact CZ-CG2 3.58Å; F115-I119 WeakPolarHBondContact O-CG1 2.97Å; F115-I119 WeakPolarHBondContact O-CG2 3.4Å; F115-I119 PolarHBondContact O-N 3.32Å; F115-L129 HydrophobicContact CE2-CD1 4.49Å; F115-L129 HydrophobicContact CE2-CD2 3.86Å; F115-L129 HydrophobicContact CZ-CD2 3.93Å; F115-I131 HydrophobicContact CE2-CD1 3.66Å; F115-I131 HydrophobicContact CE2-CG1 4.17Å; F115-I131 HydrophobicContact CZ-CD1 3.55Å; F115-F151 HydrophobicContact CB-CE1 3.91Å; F115-F151 AromaticContact CD1-CD1 3.75Å; F115-F151 HydrophobicContact CD1-CD1 3.75Å; F115-F151 AromaticContact CD1-CE1 3.99Å; F115-F151 HydrophobicContact CD1-CE1 3.99Å; F115-F151 HydrophobicContact CE1-CD1 4.17Å; F115-F151 HydrophobicContact CG-CD1 4.21Å; F115-F151 HydrophobicContact CG-CE1 4Å; F115-I158 HydrophobicContact CZ-CD1 4.41Å; F115-I158 HydrophobicContact CZ-CG1 4.38Å
116E95.5Very high95.1Very high40 Ų4061 Ų6119%0.18732%0.317CS..Hα-helixtrans-62.9-42.6-179.6-74.6-164.2157.600112.8K112 E113 M118 I119 C120 S154 K157K112-E116 HydrophobicContact CG-CG 4.43Å; K112-E116 WeakPolarHBondContact O-CB 3.47Å; K112-E116 VanDerWaalsContact O-CG 3.31Å; K112-E116 WeakPolarHBondContact O-CG 3.44Å; K112-E116 PolarHBondContact O-N 2.95Å; E113-E116 PolarHBondContact O-N 2.83Å; E116-M118 VanDerWaalsContact C-N 3.27Å; E116-M118 PolarHBondContact O-N 3.41Å; E116-I119 WeakPolarHBondContact O-CG1 3.23Å; E116-I119 PolarHBondContact O-N 3.42Å; E116-C120 WeakPolarHBondContact O-CB 3.46Å; E116-C120 PolarHBondContact O-N 3.14Å; E116-C120 PolarHBondContact O-SG 3.35Å; E116-S154 VanDerWaalsContact CG-OG 3.25Å; E116-S154 WeakPolarHBondContact CG-OG 3.31Å; E116-S154 PolarHBondContact OE1-OG 3.16Å; E116-K157 HydrophobicContact CG-CD 4.34Å; E116-K157 IonicContact OE1-NZ 2.69Å; E116-K157 PolarHBondContact OE1-NZ 2.63Å; E116-K157 IonicContact OE2-NZ 2.76Å; E116-K157 PolarHBondContact OE2-NZ 2.87Å
117K94.4Very high95.2Very high149 Ų14952.5 Ų52.565%0.64828%0.277SS*.Hα-helixtrans-58.9-41.4174.8-175.3178.8177.7-177.50111.6E113 F115E113-K117 WeakPolarHBondContact O-CB 3.41Å; E113-K117 PolarHBondContact O-N 3.22Å; F115-K117 PolarHBondContact O-N 3.44Å
118M95.4Very high95.3Very high2 Ų249.6 Ų49.61%0.0127%0.266CS..Hα-helixtrans-68.2-52.8178.5175.4-85.8-66.300111.9L23 W86 Y90 V96 Y98 A114 F115 E116 C120 S121 L124 L129L23-M118 HydrophobicContact CD1-CG 3.77Å; W86-M118 HydrophobicContact CE3-CB 4.5Å; Y90-M118 HydrophobicContact CE1-CG 4.18Å; Y90-M118 WeakPolarHBondContact OH-CG 3.31Å; V96-M118 HydrophobicContact CG1-CE 4.26Å; V96-M118 HydrophobicContact CG1-SD 4.19Å; Y98-M118 HydrophobicContact CD2-CE 3.68Å; Y98-M118 HydrophobicContact CE2-CE 4.39Å; Y98-M118 HydrophobicContact CG-CE 4.19Å; A114-M118 WeakPolarHBondContact O-CB 3.36Å; A114-M118 PolarHBondContact O-N 3.23Å; F115-M118 HydrophobicContact CD2-CE 3.69Å; F115-M118 HydrophobicContact CE2-CE 3.95Å; F115-M118 WeakPolarHBondContact O-CB 3.41Å; F115-M118 PolarHBondContact O-N 2.8Å; E116-M118 VanDerWaalsContact C-N 3.27Å; E116-M118 PolarHBondContact O-N 3.41Å; M118-C120 PolarHBondContact O-N 2.93Å; M118-S121 WeakPolarHBondContact O-CB 3.37Å; M118-S121 PolarHBondContact O-N 2.77Å; M118-L124 HydrophobicContact CG-CD1 3.67Å; M118-L124 HydrophobicContact SD-CD1 3.46Å; M118-L124 WeakPolarHBondContact SD-CD1 3.38Å; M118-L129 HydrophobicContact CE-CD1 4.14Å
119I94.6Very high95.4Very high1 Ų148.8 Ų48.81%0.00526%0.262CS..Hα-helixtrans-67.1-23.3-173.263.7179.9000114F115 E116 S121 L129 K157 I158 R161F115-I119 HydrophobicContact CD1-CD1 3.91Å; F115-I119 HydrophobicContact CD1-CG2 4.35Å; F115-I119 HydrophobicContact CD2-CG2 4.05Å; F115-I119 HydrophobicContact CE1-CD1 3.55Å; F115-I119 HydrophobicContact CE1-CG2 3.97Å; F115-I119 HydrophobicContact CE2-CG2 3.64Å; F115-I119 HydrophobicContact CG-CG2 4.39Å; F115-I119 HydrophobicContact CZ-CD1 4.17Å; F115-I119 HydrophobicContact CZ-CG2 3.58Å; F115-I119 WeakPolarHBondContact O-CG1 2.97Å; F115-I119 WeakPolarHBondContact O-CG2 3.4Å; F115-I119 PolarHBondContact O-N 3.32Å; E116-I119 WeakPolarHBondContact O-CG1 3.23Å; E116-I119 PolarHBondContact O-N 3.42Å; I119-S121 VanDerWaalsContact C-N 3.28Å; I119-L129 HydrophobicContact CG2-CD2 3.95Å; I119-K157 HydrophobicContact CD1-CB 3.52Å; I119-K157 HydrophobicContact CD1-CD 4.42Å; I119-K157 HydrophobicContact CG1-CB 4.1Å; I119-I158 HydrophobicContact CD1-CG1 4.47Å; I119-R161 PolarHBondContact O-NH1 3.1Å; I119-R161 PolarHBondContact O-NH2 3.21Å
120C94Very high95.6Very high77 Ų7745.3 Ų45.352%0.5224%0.237SC..THydrogen-bonded Turntrans-79.2-7.3176.9-71.10000113.2E116 M118 E122E116-C120 WeakPolarHBondContact O-CB 3.46Å; E116-C120 PolarHBondContact O-N 3.14Å; E116-C120 PolarHBondContact O-SG 3.35Å; M118-C120 PolarHBondContact O-N 2.93Å; C120-E122 PolarHBondContact O-N 3.2Å
121S95Very high95.7Very high34 Ų3442.9 Ų42.924%0.23823%0.226CC..  trans-70.2126.9176.8-173.70000111.5Y90 M118 I119 A123 L124Y90-S121 WeakPolarHBondContact CD2-OG 3.22Å; M118-S121 WeakPolarHBondContact O-CB 3.37Å; M118-S121 PolarHBondContact O-N 2.77Å; I119-S121 VanDerWaalsContact C-N 3.28Å; S121-A123 PolarHBondContact O-N 2.84Å; S121-A123 PolarHBondContact OG-N 2.75Å; S121-L124 PolarHBondContact O-N 2.89Å
122E93.6Very high95.7Very high170 Ų17042.6 Ų42.679%0.79422%0.224SC*.G310 helixtrans-59.7-29.2175.5-62.9-177.8173.300112.4C120 L124 E125C120-E122 PolarHBondContact O-N 3.2Å; E122-L124 PolarHBondContact O-N 2.73Å; E122-E125 VanDerWaalsContact O-CB 3.3Å; E122-E125 WeakPolarHBondContact O-CB 3.48Å; E122-E125 PolarHBondContact O-N 2.93Å
123A94.9Very high95.8Very high32 Ų3240.7 Ų40.726%0.26422%0.216SC..G310 helixtrans-62.9-23.9177.500000113S121 R193S121-A123 PolarHBondContact O-N 2.84Å; S121-A123 PolarHBondContact OG-N 2.75Å; A123-R193 PolarHBondContact O-NH2 2.89Å
124L95.3Very high96Very high3 Ų334.2 Ų34.22%0.01619%0.186CC..G310 helixtrans-97.28.7177.8-62.2-177.8000113.3Y90 S93 V96 M118 S121 E122 G126 V127Y90-L124 HydrophobicContact CD1-CD1 3.91Å; Y90-L124 HydrophobicContact CD1-CD2 4.01Å; Y90-L124 HydrophobicContact CD1-CG 4.13Å; Y90-L124 HydrophobicContact CD2-CD1 4.13Å; Y90-L124 HydrophobicContact CD2-CG 4.1Å; Y90-L124 HydrophobicContact CE1-CD1 4.03Å; Y90-L124 HydrophobicContact CE2-CD1 4.26Å; Y90-L124 HydrophobicContact CG-CD1 3.97Å; Y90-L124 HydrophobicContact CG-CD2 3.91Å; Y90-L124 HydrophobicContact CG-CG 3.81Å; S93-L124 WeakPolarHBondContact OG-CD2 3.32Å; V96-L124 HydrophobicContact CG2-CD1 4.26Å; V96-L124 HydrophobicContact CG2-CD2 3.87Å; M118-L124 HydrophobicContact CG-CD1 3.67Å; M118-L124 HydrophobicContact SD-CD1 3.46Å; M118-L124 WeakPolarHBondContact SD-CD1 3.38Å; S121-L124 PolarHBondContact O-N 2.89Å; E122-L124 PolarHBondContact O-N 2.73Å; L124-G126 PolarHBondContact O-N 2.82Å; L124-V127 HydrophobicContact CD2-CB 4.47Å; L124-V127 HydrophobicContact CD2-CG1 4.47Å; L124-V127 HydrophobicContact CD2-CG2 4.38Å; L124-V127 WeakPolarHBondContact O-CB 3.19Å; L124-V127 PolarHBondContact O-N 3.13Å; L124-V127 VanDerWaalsContact O-N 3.11Å
125E92.4Very high96Very high146 Ų14635.9 Ų35.968%0.68219%0.192SC*.THydrogen-bonded Turntrans-59.2129.9175.6-168.8175.9-170.100111E122 V127E122-E125 VanDerWaalsContact O-CB 3.3Å; E122-E125 WeakPolarHBondContact O-CB 3.48Å; E122-E125 PolarHBondContact O-N 2.93Å; E125-V127 PolarHBondContact O-N 2.87Å; E125-V127 VanDerWaalsContact O-N 3.1Å
126G92.3Very high96Very high36 Ų3638.3 Ų38.337%0.37120%0.203SC..THydrogen-bonded Turntrans68.70.3-177.800000115.7L124 N190L124-G126 PolarHBondContact O-N 2.82Å; G126-N190 PolarHBondContact O-ND2 3.38Å
127V96.9Very high95.9Very high3 Ų340.1 Ų40.12%0.01822%0.215CC..  trans-76.9127.8176.7178.40000109.5V96 L124 E125 R161 R193V96-V127 HydrophobicContact CG2-CG1 4.01Å; L124-V127 HydrophobicContact CD2-CB 4.47Å; L124-V127 HydrophobicContact CD2-CG1 4.47Å; L124-V127 HydrophobicContact CD2-CG2 4.38Å; L124-V127 WeakPolarHBondContact O-CB 3.19Å; L124-V127 PolarHBondContact O-N 3.13Å; L124-V127 VanDerWaalsContact O-N 3.11Å; E125-V127 PolarHBondContact O-N 2.87Å; E125-V127 VanDerWaalsContact O-N 3.1Å; V127-R161 WeakPolarHBondContact O-CB 3.25Å; V127-R161 WeakPolarHBondContact O-CD 3.17Å; V127-R193 HydrophobicContact CG2-CG 4.31Å
128P97.8Very high96Very high0 Ų035.3 Ų35.30%020%0.198CC..  trans-62.8139.6179.124.7-34.7000112.3H94 V96 D162 W182 M183 C186 V187H94-P128 WeakPolarHBondContact O-CD 3.47Å; H94-P128 WeakPolarHBondContact O-CG 3.33Å; V96-P128 PolarHBondContact N-O 3.36Å; P128-D162 WeakPolarHBondContact CA-O 3.25Å; P128-D162 HydrophobicContact CB-CB 4.15Å; P128-W182 HydrophobicContact CB-CH2 4.37Å; P128-M183 HydrophobicContact CG-SD 4.29Å; P128-C186 HydrophobicContact CB-CB 3.61Å; P128-C186 HydrophobicContact CG-CB 3.98Å; P128-V187 HydrophobicContact CG-CG1 3.91Å
129L98.2Very high95.8Very high4 Ų441.9 Ų41.92%0.02124%0.24CC..EExtended strand (participates in β ladder)trans-121.8115.2-174177.261.2000111.1V96 F115 M118 I119 I131 D162 C163 L164 W182V96-L129 HydrophobicContact CB-CD1 4.04Å; V96-L129 HydrophobicContact CG1-CD1 3.87Å; V96-L129 WeakPolarHBondContact O-CA 3.45Å; F115-L129 HydrophobicContact CE2-CD1 4.49Å; F115-L129 HydrophobicContact CE2-CD2 3.86Å; F115-L129 HydrophobicContact CZ-CD2 3.93Å; M118-L129 HydrophobicContact CE-CD1 4.14Å; I119-L129 HydrophobicContact CG2-CD2 3.95Å; L129-I131 HydrophobicContact CD1-CG1 4.4Å; L129-I131 HydrophobicContact CD2-CD1 4.25Å; L129-I131 HydrophobicContact CD2-CG1 4.32Å; L129-I131 HydrophobicContact CG-CD1 4.48Å; L129-I131 HydrophobicContact CG-CG1 4.01Å; L129-D162 PolarHBondContact N-O 2.77Å; L129-C163 VanDerWaalsContact O-CA 3.26Å; L129-C163 WeakPolarHBondContact O-CA 3.37Å; L129-L164 PolarHBondContact O-N 3.06Å; L129-W182 VanDerWaalsContact O-CH2 3.29Å; L129-W182 WeakPolarHBondContact O-CH2 3.49Å
130L98.5Very high95.6Very high0 Ų046.6 Ų46.60%027%0.273CS..EExtended strand (participates in β ladder)trans-101119.2170.5179.561.4000109.2V96 I97 Y98 L132 L164 Q166 G179 W182 M183V96-L130 PolarHBondContact O-N 3.46Å; I97-L130 CarbonylContact C-O 3.5Å; I97-L130 VanDerWaalsContact CA-O 3.28Å; I97-L130 WeakPolarHBondContact CA-O 3.46Å; I97-L130 HydrophobicContact CD1-CD2 4.31Å; I97-L130 HydrophobicContact CG1-CB 4.25Å; I97-L130 HydrophobicContact CG1-CD2 4.19Å; I97-L130 HydrophobicContact CG2-CD2 4.48Å; Y98-L130 PolarHBondContact N-O 3.32Å; L130-L132 HydrophobicContact CD1-CD2 4.17Å; L130-L132 HydrophobicContact CD2-CD2 3.96Å; L130-L132 HydrophobicContact CD2-CG 4.36Å; L130-L132 HydrophobicContact CG-CD2 3.88Å; L130-L132 HydrophobicContact CG-CG 4.17Å; L130-L164 HydrophobicContact CD1-CB 3.99Å; L130-L164 HydrophobicContact CD1-CD2 3.89Å; L130-L164 HydrophobicContact CD1-CG 4Å; L130-Q166 HydrophobicContact CD1-CG 4.13Å; L130-G179 WeakPolarHBondContact CD2-O 3.47Å; L130-W182 HydrophobicContact CB-CE3 4.06Å; L130-W182 HydrophobicContact CB-CZ3 3.72Å; L130-W182 HydrophobicContact CD1-CE3 3.98Å; L130-W182 HydrophobicContact CD1-CZ3 4.28Å; L130-W182 HydrophobicContact CG-CE3 4.45Å; L130-M183 HydrophobicContact CB-CE 3.62Å
131I98.4Very high95.7Very high10 Ų1044.5 Ų44.55%0.05126%0.259CS..EExtended strand (participates in β ladder)trans-101.8117.2174.5-52.3-179.3000108Y98 I100 F115 L129 L164 V165 Q166Y98-I131 WeakPolarHBondContact O-CA 3.5Å; I100-I131 HydrophobicContact CD1-CG2 3.6Å; I100-I131 HydrophobicContact CG1-CG2 4.3Å; F115-I131 HydrophobicContact CE2-CD1 3.66Å; F115-I131 HydrophobicContact CE2-CG1 4.17Å; F115-I131 HydrophobicContact CZ-CD1 3.55Å; L129-I131 HydrophobicContact CD1-CG1 4.4Å; L129-I131 HydrophobicContact CD2-CD1 4.25Å; L129-I131 HydrophobicContact CD2-CG1 4.32Å; L129-I131 HydrophobicContact CG-CD1 4.48Å; L129-I131 HydrophobicContact CG-CG1 4.01Å; I131-L164 PolarHBondContact N-O 3.32Å; I131-V165 HydrophobicContact CB-CB 4.44Å; I131-V165 HydrophobicContact CB-CG1 4.28Å; I131-V165 HydrophobicContact CB-CG2 4.12Å; I131-V165 HydrophobicContact CD1-CG2 4.09Å; I131-V165 HydrophobicContact CG1-CG2 4.46Å; I131-V165 HydrophobicContact CG2-CG1 4.28Å; I131-V165 WeakPolarHBondContact O-CA 3.45Å; I131-Q166 PolarHBondContact O-N 2.85Å
132L98.5Very high95.7Very high0 Ų044.3 Ų44.30%026%0.255CS..EExtended strand (participates in β ladder)trans-101.1117177.7-62.5179.1000109.4F33 I97 Y98 V99 I100 L130 N134 Q166 C168F33-L132 HydrophobicContact CD1-CD1 4.21Å; F33-L132 HydrophobicContact CD2-CD1 3.52Å; F33-L132 HydrophobicContact CE1-CD1 4Å; F33-L132 HydrophobicContact CE2-CD1 3.24Å; F33-L132 HydrophobicContact CG-CD1 4Å; F33-L132 HydrophobicContact CZ-CD1 3.53Å; I97-L132 HydrophobicContact CG2-CD1 3.49Å; I97-L132 VanDerWaalsContact CG2-CD1 3.49Å; I97-L132 HydrophobicContact CG2-CG 3.91Å; Y98-L132 PolarHBondContact O-N 3.08Å; V99-L132 HydrophobicContact CG2-CD1 4.34Å; I100-L132 PolarHBondContact N-O 3.47Å; L130-L132 HydrophobicContact CD1-CD2 4.17Å; L130-L132 HydrophobicContact CD2-CD2 3.96Å; L130-L132 HydrophobicContact CD2-CG 4.36Å; L130-L132 HydrophobicContact CG-CD2 3.88Å; L130-L132 HydrophobicContact CG-CG 4.17Å; L132-N134 PolarHBondContact O-N 3.46Å; L132-Q166 HydrophobicContact CD2-CG 3.7Å; L132-Q166 VanDerWaalsContact CD2-NE2 3.27Å; L132-C168 HydrophobicContact CB-CB 4.28Å; L132-C168 HydrophobicContact CD2-CB 4.19Å
133V98.3Very high95.8Very high0 Ų038.3 Ų38.30%023%0.232CC..EExtended strand (participates in β ladder)trans-86.194.3168.7-177.10000106.8Q136 V144 I147 V165 Q166 P167 C168V133-Q136 VanDerWaalsContact O-CG 3.29Å; V133-Q136 WeakPolarHBondContact O-CG 3.46Å; V133-V144 HydrophobicContact CB-CG2 4.04Å; V133-V144 HydrophobicContact CG1-CG2 4.27Å; V133-V144 HydrophobicContact CG2-CG2 4.09Å; V133-I147 HydrophobicContact CG1-CG1 3.85Å; V133-I147 HydrophobicContact CG2-CB 4.27Å; V133-I147 HydrophobicContact CG2-CG1 4.33Å; V133-I147 HydrophobicContact CG2-CG2 4.08Å; V133-V165 HydrophobicContact CG2-CG1 3.96Å; V133-Q166 PolarHBondContact N-O 2.78Å; V133-P167 CarbonylContact O-C 3.55Å; V133-C168 PolarHBondContact O-N 2.92Å
134N98.2Very high95.9Very high4 Ų437.8 Ų37.82%0.02123%0.225CC..EExtended strand (participates in β ladder)trans-92.2162.2-169.2-170.638.7000112.4A28 V99 I100 S102 L132 C168 A170A28-N134 PolarHBondContact O-ND2 3.49Å; V99-N134 HydrophobicContact CG1-CB 3.71Å; I100-N134 WeakPolarHBondContact O-CB 3.41Å; I100-N134 PolarHBondContact O-N 3.08Å; S102-N134 VanDerWaalsContact CB-O 3.31Å; S102-N134 WeakPolarHBondContact CB-O 3.46Å; S102-N134 PolarHBondContact N-O 3.35Å; S102-N134 PolarHBondContact OG-O 3.09Å; L132-N134 PolarHBondContact O-N 3.46Å; N134-C168 CarbonylContact C-O 3.59Å; N134-C168 VanDerWaalsContact CA-O 3.24Å; N134-C168 WeakPolarHBondContact CA-O 3.39Å; N134-C168 PolarHBondContact OD1-O 3.35Å; N134-A170 WeakPolarHBondContact OD1-CB 3.28Å; N134-A170 PolarHBondContact OD1-N 2.91Å
135K96.9Very high95.9Very high40 Ų4041.5 Ų41.517%0.17425%0.25CC..  trans70.833.7-179.2-46.5-167.7-166.7173.50114.3N27 D101 T103 D137 V138 C168N27-K135 VanDerWaalsContact O-CE 3.31Å; N27-K135 WeakPolarHBondContact O-CE 3.35Å; N27-K135 PolarHBondContact O-NZ 3.38Å; D101-K135 WeakPolarHBondContact OD1-CD 3.41Å; D101-K135 IonicContact OD1-NZ 2.74Å; D101-K135 VanDerWaalsContact OD2-CE 3.24Å; D101-K135 WeakPolarHBondContact OD2-CE 3.33Å; D101-K135 IonicContact OD2-NZ 3.11Å; D101-K135 PolarHBondContact OD2-NZ 3.4Å; T103-K135 HydrophobicContact CG2-CB 3.9Å; T103-K135 HydrophobicContact CG2-CD 4.43Å; K135-D137 VanDerWaalsContact C-OD1 3.26Å; K135-D137 VanDerWaalsContact CA-OD1 3.31Å; K135-D137 WeakPolarHBondContact CA-OD1 3.47Å; K135-D137 PolarHBondContact O-N 3.44Å; K135-D137 VanDerWaalsContact O-N 3.16Å; K135-V138 HydrophobicContact CB-CG2 4.39Å; K135-V138 PolarHBondContact O-N 3.47Å; K135-C168 PolarHBondContact N-O 2.92Å; K135-C168 VanDerWaalsContact N-O 3.14Å
136Q97Very high96.1Very high53 Ų5338.3 Ų38.325%0.24824%0.237CC..THydrogen-bonded Turntrans-71.2-1.9178.6-65.7-75.6-81.300113.5S102 V133 V138 L142 P167 C168S102-Q136 VanDerWaalsContact CB-NE2 3.26Å; S102-Q136 PolarHBondContact OG-NE2 2.94Å; V133-Q136 VanDerWaalsContact O-CG 3.29Å; V133-Q136 WeakPolarHBondContact O-CG 3.46Å; Q136-V138 VanDerWaalsContact C-N 3.34Å; Q136-L142 PolarHBondContact NE2-O 3.05Å; Q136-P167 HydrophobicContact CG-CB 3.85Å; Q136-C168 PolarHBondContact N-O 2.78Å
137D94.3Very high96.2Very high79 Ų7936.7 Ų36.742%0.42222%0.22SC..THydrogen-bonded Turntrans-78.3-15.1170.257.6-54000113.7K135 T169K135-D137 VanDerWaalsContact C-OD1 3.26Å; K135-D137 VanDerWaalsContact CA-OD1 3.31Å; K135-D137 WeakPolarHBondContact CA-OD1 3.47Å; K135-D137 PolarHBondContact O-N 3.44Å; K135-D137 VanDerWaalsContact O-N 3.16Å; D137-T169 HydrophobicContact CB-CG2 3.74Å; D137-T169 PolarHBondContact N-OG1 3.3Å; D137-T169 WeakPolarHBondContact OD1-CG2 3.34Å
138V94.8Very high96.1Very high48 Ų4842 Ų4229%0.29124%0.243SC..SBendtrans-86.4127.9-177.3179.50000110.5T103 K135 Q136 S140 C141T103-V138 HydrophobicContact CG2-CB 3.53Å; T103-V138 HydrophobicContact CG2-CG1 3.69Å; T103-V138 HydrophobicContact CG2-CG2 3.81Å; K135-V138 HydrophobicContact CB-CG2 4.39Å; K135-V138 PolarHBondContact O-N 3.47Å; Q136-V138 VanDerWaalsContact C-N 3.34Å; V138-S140 VanDerWaalsContact C-N 3.26Å; V138-S140 PolarHBondContact O-N 2.91Å; V138-S140 VanDerWaalsContact O-N 3.15Å; V138-C141 HydrophobicContact CB-CB 4.45Å; V138-C141 VanDerWaalsContact O-CB 3.29Å; V138-C141 WeakPolarHBondContact O-CB 3.19Å; V138-C141 PolarHBondContact O-N 3.43Å; V138-C141 PolarHBondContact O-SG 3.02Å
139P91.1Very high96Very high140 Ų14046.7 Ų46.791%0.90927%0.272SS*.THydrogen-bonded Turntrans-60-27.7-175.4-27.935.5000115.9C141P139-C141 VanDerWaalsContact C-N 3.35Å
140S91.8Very high95.8Very high99 Ų9948.2 Ų48.269%0.69229%0.285SS*.THydrogen-bonded Turntrans-94.315.6179.262.60000113.4V138V138-S140 VanDerWaalsContact C-N 3.26Å; V138-S140 PolarHBondContact O-N 2.91Å; V138-S140 VanDerWaalsContact O-N 3.15Å
141C95.1Very high95.6Very high34 Ų3449 Ų4923%0.2329%0.289CS..PPolyproline II helixtrans-74149.6179.671.20000112.5S102 T103 V138 P139S102-C141 CarbonylContact O-C 3.6Å; S102-C141 WeakPolarHBondContact O-CA 3.31Å; S102-C141 WeakPolarHBondContact OG-CB 3.4Å; T103-C141 HydrophobicContact CG2-CB 3.95Å; V138-C141 HydrophobicContact CB-CB 4.45Å; V138-C141 VanDerWaalsContact O-CB 3.29Å; V138-C141 WeakPolarHBondContact O-CB 3.19Å; V138-C141 PolarHBondContact O-N 3.43Å; V138-C141 PolarHBondContact O-SG 3.02Å; P139-C141 VanDerWaalsContact C-N 3.35Å
142L96.3Very high95.3Very high30 Ų3051.4 Ų51.416%0.15731%0.306CS..PPolyproline II helixtrans-70.5139.9170-65.1172.9000110.3S102 E105 L108 Q136 D146 I147S102-L142 WeakPolarHBondContact O-CB 3.27Å; S102-L142 WeakPolarHBondContact O-CG 3.31Å; S102-L142 PolarHBondContact O-N 3.49Å; E105-L142 HydrophobicContact CB-CD1 4.33Å; E105-L142 HydrophobicContact CG-CD1 4.33Å; L108-L142 HydrophobicContact CD2-CD1 3.8Å; Q136-L142 PolarHBondContact NE2-O 3.05Å; L142-D146 HydrophobicContact CB-CB 4.33Å; L142-D146 HydrophobicContact CD2-CB 4.35Å; L142-I147 HydrophobicContact CB-CD1 3.87Å; L142-I147 HydrophobicContact CB-CG1 4.16Å; L142-I147 HydrophobicContact CD1-CD1 3.76Å; L142-I147 HydrophobicContact CG-CD1 4.5Å
143S95.6Very high94.9Very high43 Ų4356.4 Ų56.430%0.30133%0.333SS..PPolyproline II helixtrans-77.1160.8176.876.70000111.2P145 D146 I147S143-P145 VanDerWaalsContact C-N 3.33Å; S143-P145 WeakPolarHBondContact OG-CD 3.32Å; S143-D146 VanDerWaalsContact CB-OD2 3.32Å; S143-D146 WeakPolarHBondContact CB-OD2 3.32Å; S143-D146 PolarHBondContact N-OD2 3.35Å; S143-D146 WeakPolarHBondContact O-CB 3.46Å; S143-D146 PolarHBondContact O-N 3.28Å; S143-D146 PolarHBondContact OG-N 3.22Å; S143-D146 PolarHBondContact OG-OD2 2.7Å; S143-I147 PolarHBondContact O-N 2.67Å; S143-I147 VanDerWaalsContact O-N 3.09Å
144V95.6Very high94.6Very high21 Ų2156.4 Ų56.413%0.12733%0.333CS..Hα-helixtrans-55.3-42175.3176.70000112.7V133 D146 I147 K148 V165 P167V133-V144 HydrophobicContact CB-CG2 4.04Å; V133-V144 HydrophobicContact CG1-CG2 4.27Å; V133-V144 HydrophobicContact CG2-CG2 4.09Å; V144-D146 VanDerWaalsContact C-N 3.34Å; V144-D146 PolarHBondContact O-N 3.49Å; V144-I147 PolarHBondContact O-N 3.42Å; V144-K148 HydrophobicContact CG1-CD 4.26Å; V144-K148 HydrophobicContact CG1-CG 4.47Å; V144-K148 WeakPolarHBondContact O-CB 3.44Å; V144-K148 WeakPolarHBondContact O-CG 3.23Å; V144-K148 PolarHBondContact O-N 3.4Å; V144-V165 HydrophobicContact CG1-CG1 4Å; V144-P167 HydrophobicContact CG2-CB 3.84Å; V144-P167 HydrophobicContact CG2-CG 4.27Å
145P96.4Very high94.2Very high81 Ų8158.9 Ų58.953%0.52635%0.354SS..Hα-helixtrans-56-40.4170.5-28.835.2000115S143 K148 T149S143-P145 VanDerWaalsContact C-N 3.33Å; S143-P145 WeakPolarHBondContact OG-CD 3.32Å; P145-K148 PolarHBondContact O-N 3.18Å; P145-T149 PolarHBondContact O-N 3.03Å; P145-T149 PolarHBondContact O-OG1 2.85Å
146D95.3Very high93.8Very high79 Ų7962 Ų6242%0.42238%0.378SS..Hα-helixtrans-66.9-45.7-179.2-56.2-39.4000110.5L142 S143 V144 K148 T149 A150L142-D146 HydrophobicContact CB-CB 4.33Å; L142-D146 HydrophobicContact CD2-CB 4.35Å; S143-D146 VanDerWaalsContact CB-OD2 3.32Å; S143-D146 WeakPolarHBondContact CB-OD2 3.32Å; S143-D146 PolarHBondContact N-OD2 3.35Å; S143-D146 WeakPolarHBondContact O-CB 3.46Å; S143-D146 PolarHBondContact O-N 3.28Å; S143-D146 PolarHBondContact OG-N 3.22Å; S143-D146 PolarHBondContact OG-OD2 2.7Å; V144-D146 VanDerWaalsContact C-N 3.34Å; V144-D146 PolarHBondContact O-N 3.49Å; D146-K148 VanDerWaalsContact C-N 3.33Å; D146-K148 PolarHBondContact O-N 2.86Å; D146-T149 WeakPolarHBondContact O-CB 3.43Å; D146-T149 PolarHBondContact O-N 3.34Å; D146-T149 VanDerWaalsContact O-N 3.07Å; D146-A150 PolarHBondContact O-N 3.32Å
147I96.2Very high93.5Very high3 Ų363.5 Ų63.52%0.01538%0.384CS..Hα-helixtrans-60.7-43.1174.9-60.5-65.2000111I100 L108 V133 L142 S143 V144 T149 A150 F151I100-I147 HydrophobicContact CD1-CG2 3.74Å; I100-I147 HydrophobicContact CG2-CD1 4.12Å; I100-I147 HydrophobicContact CG2-CG2 4.44Å; L108-I147 HydrophobicContact CD1-CD1 3.67Å; L108-I147 HydrophobicContact CD2-CD1 4.21Å; V133-I147 HydrophobicContact CG1-CG1 3.85Å; V133-I147 HydrophobicContact CG2-CB 4.27Å; V133-I147 HydrophobicContact CG2-CG1 4.33Å; V133-I147 HydrophobicContact CG2-CG2 4.08Å; L142-I147 HydrophobicContact CB-CD1 3.87Å; L142-I147 HydrophobicContact CB-CG1 4.16Å; L142-I147 HydrophobicContact CD1-CD1 3.76Å; L142-I147 HydrophobicContact CG-CD1 4.5Å; S143-I147 PolarHBondContact O-N 2.67Å; S143-I147 VanDerWaalsContact O-N 3.09Å; V144-I147 PolarHBondContact O-N 3.42Å; I147-T149 PolarHBondContact O-N 3.42Å; I147-A150 PolarHBondContact O-N 2.8Å; I147-F151 HydrophobicContact CG2-CD2 4.03Å; I147-F151 HydrophobicContact CG2-CE2 4.23Å; I147-F151 WeakPolarHBondContact O-CB 3.31Å; I147-F151 VanDerWaalsContact O-CD2 3.26Å; I147-F151 WeakPolarHBondContact O-CD2 3.47Å; I147-F151 PolarHBondContact O-N 2.98Å
148K94.8Very high93.2Very high114 Ų11461 Ų6150%0.49637%0.37SS..Hα-helixtrans-60.6-36.1175.2-77.7178.4176.9-178.70112.3V144 P145 D146 S152 V165V144-K148 HydrophobicContact CG1-CD 4.26Å; V144-K148 HydrophobicContact CG1-CG 4.47Å; V144-K148 WeakPolarHBondContact O-CB 3.44Å; V144-K148 WeakPolarHBondContact O-CG 3.23Å; V144-K148 PolarHBondContact O-N 3.4Å; P145-K148 PolarHBondContact O-N 3.18Å; D146-K148 VanDerWaalsContact C-N 3.33Å; D146-K148 PolarHBondContact O-N 2.86Å; K148-S152 PolarHBondContact O-N 3.07Å; K148-S152 VanDerWaalsContact O-N 3.11Å; K148-V165 HydrophobicContact CG-CG1 4.49Å
149T95Very high92.9Very high99 Ų9961.3 Ų61.361%0.60738%0.383SS*.Hα-helixtrans-68.7-46177.4-57.10000110.6P145 D146 I147 F151 S152P145-T149 PolarHBondContact O-N 3.03Å; P145-T149 PolarHBondContact O-OG1 2.85Å; D146-T149 WeakPolarHBondContact O-CB 3.43Å; D146-T149 PolarHBondContact O-N 3.34Å; D146-T149 VanDerWaalsContact O-N 3.07Å; I147-T149 PolarHBondContact O-N 3.42Å; T149-F151 VanDerWaalsContact C-N 3.28Å; T149-F151 PolarHBondContact O-N 3Å; T149-S152 VanDerWaalsContact O-CB 3.27Å; T149-S152 WeakPolarHBondContact O-CB 3.2Å; T149-S152 PolarHBondContact O-N 3.15Å; T149-S152 PolarHBondContact O-OG 3.46Å
150A94.1Very high92.7Very high36 Ų3665.2 Ų65.230%0.29839%0.386SS..Hα-helixtrans-60.9-35.8177.100000113L108 K112 D146 I147L108-A150 HydrophobicContact CD2-CB 3.69Å; L108-A150 HydrophobicContact CG-CB 4.47Å; K112-A150 WeakPolarHBondContact CD-O 3.38Å; K112-A150 WeakPolarHBondContact CE-O 3.49Å; K112-A150 PolarHBondContact NZ-O 2.91Å; D146-A150 PolarHBondContact O-N 3.32Å; I147-A150 PolarHBondContact O-N 2.8Å
151F94.8Very high92.7Very high17 Ų1762.2 Ų62.28%0.07536%0.359CS..THydrogen-bonded Turntrans-95.310.6-179.2-75-113.5000113.6I100 L108 K112 F115 I147 T149 D153 S154 A155I100-F151 HydrophobicContact CD1-CE1 4.02Å; I100-F151 HydrophobicContact CD1-CE2 4.15Å; I100-F151 HydrophobicContact CD1-CZ 3.8Å; I100-F151 HydrophobicContact CG1-CZ 4.44Å; L108-F151 HydrophobicContact CD1-CE2 3.69Å; L108-F151 HydrophobicContact CD1-CZ 4.33Å; L108-F151 HydrophobicContact CG-CE2 4.03Å; K112-F151 HydrophobicContact CB-CD1 4.36Å; K112-F151 HydrophobicContact CB-CE1 3.92Å; K112-F151 HydrophobicContact CB-CE2 4.28Å; K112-F151 HydrophobicContact CB-CZ 3.86Å; K112-F151 HydrophobicContact CG-CD1 4.24Å; K112-F151 HydrophobicContact CG-CE1 4.27Å; F115-F151 HydrophobicContact CB-CE1 3.91Å; F115-F151 AromaticContact CD1-CD1 3.75Å; F115-F151 HydrophobicContact CD1-CD1 3.75Å; F115-F151 AromaticContact CD1-CE1 3.99Å; F115-F151 HydrophobicContact CD1-CE1 3.99Å; F115-F151 HydrophobicContact CE1-CD1 4.17Å; F115-F151 HydrophobicContact CG-CD1 4.21Å; F115-F151 HydrophobicContact CG-CE1 4Å; I147-F151 HydrophobicContact CG2-CD2 4.03Å; I147-F151 HydrophobicContact CG2-CE2 4.23Å; I147-F151 WeakPolarHBondContact O-CB 3.31Å; I147-F151 VanDerWaalsContact O-CD2 3.26Å; I147-F151 WeakPolarHBondContact O-CD2 3.47Å; I147-F151 PolarHBondContact O-N 2.98Å; T149-F151 VanDerWaalsContact C-N 3.28Å; T149-F151 PolarHBondContact O-N 3Å; F151-D153 VanDerWaalsContact C-N 3.3Å; F151-D153 PolarHBondContact O-N 3.23Å; F151-S154 WeakPolarHBondContact O-CA 3.31Å; F151-S154 WeakPolarHBondContact O-CB 3.35Å; F151-S154 PolarHBondContact O-N 3.41Å; F151-A155 PolarHBondContact O-N 3.39Å
152S91.4Very high92.8Very high60 Ų6063.7 Ų63.742%0.4237%0.365SS..G310 helixtrans-57.7-38.6-174.754.70000113.4K148 T149 S154 A155K148-S152 PolarHBondContact O-N 3.07Å; K148-S152 VanDerWaalsContact O-N 3.11Å; T149-S152 VanDerWaalsContact O-CB 3.27Å; T149-S152 WeakPolarHBondContact O-CB 3.2Å; T149-S152 PolarHBondContact O-N 3.15Å; T149-S152 PolarHBondContact O-OG 3.46Å; S152-S154 PolarHBondContact O-N 2.86Å; S152-A155 VanDerWaalsContact O-CB 3.29Å; S152-A155 WeakPolarHBondContact O-CB 3.36Å; S152-A155 PolarHBondContact O-N 3.2Å; S152-A155 VanDerWaalsContact O-N 3.15Å
153D91.1Very high92.8Very high105 Ų10564.7 Ų64.756%0.56137%0.374SS*.G310 helixtrans-66-22.7176.5-51-48000113.5K112 F151 P156K112-D153 IonicContact NZ-OD2 3.38Å; K112-D153 PolarHBondContact NZ-OD2 3.49Å; F151-D153 VanDerWaalsContact C-N 3.3Å; F151-D153 PolarHBondContact O-N 3.23Å; D153-P156 WeakPolarHBondContact O-CD 3.22Å
154S91.3Very high92.9Very high0 Ų065 Ų650%037%0.372CS..G310 helixtrans-85.9-16.5178.9-43.10000111.7E116 F151 S152 K157 I158E116-S154 VanDerWaalsContact CG-OG 3.25Å; E116-S154 WeakPolarHBondContact CG-OG 3.31Å; E116-S154 PolarHBondContact OE1-OG 3.16Å; F151-S154 WeakPolarHBondContact O-CA 3.31Å; F151-S154 WeakPolarHBondContact O-CB 3.35Å; F151-S154 PolarHBondContact O-N 3.41Å; S152-S154 PolarHBondContact O-N 2.86Å; S154-K157 WeakPolarHBondContact O-CB 3.42Å; S154-K157 PolarHBondContact O-N 3.07Å; S154-I158 PolarHBondContact O-N 2.85Å
155A88.5Confident92.9Very high55 Ų5565.8 Ų65.846%0.45538%0.377SS..G310 helixtrans-58.8-42.5-177.700000113.8F151 S152 K157 I158F151-A155 PolarHBondContact O-N 3.39Å; S152-A155 VanDerWaalsContact O-CB 3.29Å; S152-A155 WeakPolarHBondContact O-CB 3.36Å; S152-A155 PolarHBondContact O-N 3.2Å; S152-A155 VanDerWaalsContact O-N 3.15Å; A155-K157 PolarHBondContact O-N 3.22Å; A155-I158 WeakPolarHBondContact O-CB 3.43Å; A155-I158 PolarHBondContact O-N 3.49Å
156P89.4Confident93Very high106 Ų10663 Ų6369%0.68836%0.356SS*.G310 helixtrans-62.1-30.1175-22.734.6000113.3D153 I158 G159D153-P156 WeakPolarHBondContact O-CD 3.22Å; P156-I158 VanDerWaalsContact C-N 3.28Å; P156-I158 PolarHBondContact O-N 2.91Å; P156-G159 PolarHBondContact O-N 2.86Å
157K90.4Very high93.1Very high84 Ų8462.4 Ų62.437%0.36536%0.357SS..G310 helixtrans-75.1-16-178.5-59.2172.1-177.5165.50112.9E116 I119 S154 A155 G159E116-K157 HydrophobicContact CG-CD 4.34Å; E116-K157 IonicContact OE1-NZ 2.69Å; E116-K157 PolarHBondContact OE1-NZ 2.63Å; E116-K157 IonicContact OE2-NZ 2.76Å; E116-K157 PolarHBondContact OE2-NZ 2.87Å; I119-K157 HydrophobicContact CD1-CB 3.52Å; I119-K157 HydrophobicContact CD1-CD 4.42Å; I119-K157 HydrophobicContact CG1-CB 4.1Å; S154-K157 WeakPolarHBondContact O-CB 3.42Å; S154-K157 PolarHBondContact O-N 3.07Å; A155-K157 PolarHBondContact O-N 3.22Å; K157-G159 PolarHBondContact O-N 3.38Å
158I89.3Confident93.1Very high26 Ų2662.3 Ų62.313%0.13336%0.357CS..G310 helixtrans-65.5-30173.7-61.7173.9000110.4F115 I119 S154 A155 P156 R161 C163F115-I158 HydrophobicContact CZ-CD1 4.41Å; F115-I158 HydrophobicContact CZ-CG1 4.38Å; I119-I158 HydrophobicContact CD1-CG1 4.47Å; S154-I158 PolarHBondContact O-N 2.85Å; A155-I158 WeakPolarHBondContact O-CB 3.43Å; A155-I158 PolarHBondContact O-N 3.49Å; P156-I158 VanDerWaalsContact C-N 3.28Å; P156-I158 PolarHBondContact O-N 2.91Å; I158-R161 HydrophobicContact CG2-CG 3.8Å; I158-R161 WeakPolarHBondContact O-CD 3.49Å; I158-R161 VanDerWaalsContact O-CG 3.28Å; I158-R161 WeakPolarHBondContact O-CG 3.36Å; I158-R161 PolarHBondContact O-NE 3.33Å; I158-C163 HydrophobicContact CG2-CB 3.8Å
159G86.9Confident93.2Very high55 Ų5557.3 Ų57.357%0.56734%0.336SS*.THydrogen-bonded Turntrans67.2-144.6178.600000112.9P156 K157P156-G159 PolarHBondContact O-N 2.86Å; K157-G159 PolarHBondContact O-N 3.38Å
160K86.8Confident93.2Very high222 Ų22252.7 Ų52.797%0.96531%0.307SS*.THydrogen-bonded Turntrans-93.45.8-173.4-63.1-177.9-178.7175.10114.6
161R93.3Very high93.1Very high37 Ų3755.5 Ų55.514%0.1432%0.317CS..SBendtrans-70.1152.8-179.270.4-166.561.7142.21110.7I119 V127 I158 C163I119-R161 PolarHBondContact O-NH1 3.1Å; I119-R161 PolarHBondContact O-NH2 3.21Å; V127-R161 WeakPolarHBondContact O-CB 3.25Å; V127-R161 WeakPolarHBondContact O-CD 3.17Å; I158-R161 HydrophobicContact CG2-CG 3.8Å; I158-R161 WeakPolarHBondContact O-CD 3.49Å; I158-R161 VanDerWaalsContact O-CG 3.28Å; I158-R161 WeakPolarHBondContact O-CG 3.36Å; I158-R161 PolarHBondContact O-NE 3.33Å; R161-C163 PolarHBondContact O-N 3.5Å
162D95.3Very high93Very high65 Ų6558.1 Ų58.135%0.34834%0.335SS..  trans-60.5126.1169.5-74.4-57.3000109.5P128 L129 W182 R189P128-D162 WeakPolarHBondContact CA-O 3.25Å; P128-D162 HydrophobicContact CB-CB 4.15Å; L129-D162 PolarHBondContact N-O 2.77Å; D162-W182 HydrophobicContact CB-CH2 4.31Å; D162-W182 HydrophobicContact CB-CZ2 4.07Å; D162-R189 IonicContact OD1-CZ 3.75Å; D162-R189 IonicContact OD1-NH2 2.67Å; D162-R189 PolarHBondContact OD1-NH2 3.38Å; D162-R189 IonicContact OD2-CZ 2.7Å; D162-R189 IonicContact OD2-NH2 3.98Å; D162-R189 PolarHBondContact OD2-NH2 2.83Å
163C96.8Very high93.1Very high50 Ų5055.3 Ų55.334%0.33832%0.315SS..EExtended strand (participates in β ladder)trans-134.9132.1179.8-172.30000110.9L129 I158 R161L129-C163 VanDerWaalsContact O-CA 3.26Å; L129-C163 WeakPolarHBondContact O-CA 3.37Å; I158-C163 HydrophobicContact CG2-CB 3.8Å; R161-C163 PolarHBondContact O-N 3.5Å
164L97.3Very high93.3Very high50 Ų5055 Ų5526%0.26231%0.313SS..EExtended strand (participates in β ladder)trans-128.5131.917317664.3000109.8L129 L130 I131 W182L129-L164 PolarHBondContact O-N 3.06Å; L130-L164 HydrophobicContact CD1-CB 3.99Å; L130-L164 HydrophobicContact CD1-CD2 3.89Å; L130-L164 HydrophobicContact CD1-CG 4Å; I131-L164 PolarHBondContact N-O 3.32Å; L164-W182 HydrophobicContact CB-CD2 3.77Å; L164-W182 VanDerWaalsContact CB-CE2 3.43Å; L164-W182 HydrophobicContact CB-CE3 4.11Å; L164-W182 HydrophobicContact CB-CG 4.38Å; L164-W182 HydrophobicContact CB-CH2 3.88Å; L164-W182 HydrophobicContact CB-CZ2 3.49Å; L164-W182 VanDerWaalsContact CB-CZ2 3.49Å; L164-W182 HydrophobicContact CB-CZ3 4.17Å; L164-W182 HydrophobicContact CD2-CB 3.91Å; L164-W182 HydrophobicContact CD2-CD2 3.7Å; L164-W182 HydrophobicContact CD2-CE3 4.33Å; L164-W182 HydrophobicContact CD2-CG 3.47Å; L164-W182 VanDerWaalsContact CD2-CG 3.47Å; L164-W182 HydrophobicContact CG-CD2 4.38Å
165V97.5Very high93.5Very high38 Ų3855.6 Ų55.623%0.2332%0.32CS..EExtended strand (participates in β ladder)trans-111.6123.6170.4-170.30000107.9I131 V133 V144 K148I131-V165 HydrophobicContact CB-CB 4.44Å; I131-V165 HydrophobicContact CB-CG1 4.28Å; I131-V165 HydrophobicContact CB-CG2 4.12Å; I131-V165 HydrophobicContact CD1-CG2 4.09Å; I131-V165 HydrophobicContact CG1-CG2 4.46Å; I131-V165 HydrophobicContact CG2-CG1 4.28Å; I131-V165 WeakPolarHBondContact O-CA 3.45Å; V133-V165 HydrophobicContact CG2-CG1 3.96Å; V144-V165 HydrophobicContact CG1-CG1 4Å; K148-V165 HydrophobicContact CG-CG1 4.49Å
166Q96.8Very high93.8Very high21 Ų2153 Ų5310%0.09830%0.298CS..EExtended strand (participates in β ladder)trans-142.1152.2-179.965.6165.219.700112.7L130 I131 L132 V133 G175L130-Q166 HydrophobicContact CD1-CG 4.13Å; I131-Q166 PolarHBondContact O-N 2.85Å; L132-Q166 HydrophobicContact CD2-CG 3.7Å; L132-Q166 VanDerWaalsContact CD2-NE2 3.27Å; V133-Q166 PolarHBondContact N-O 2.78Å; Q166-G175 PolarHBondContact NE2-O 2.85Å
167P97.6Very high94.2Very high67 Ų6750.3 Ų50.344%0.43528%0.278SS..EExtended strand (participates in β ladder)trans-69.5148.8170.630.8-32.7000110.5V133 Q136 V144V133-P167 CarbonylContact O-C 3.55Å; Q136-P167 HydrophobicContact CG-CB 3.85Å; V144-P167 HydrophobicContact CG2-CB 3.84Å; V144-P167 HydrophobicContact CG2-CG 4.27Å
168C97.2Very high94.5Very high2 Ų251.2 Ų51.21%0.01428%0.284CS..EExtended strand (participates in β ladder)trans-148.2146.8177.9-179.10000110.5L132 V133 N134 K135 Q136 D174L132-C168 HydrophobicContact CB-CB 4.28Å; L132-C168 HydrophobicContact CD2-CB 4.19Å; V133-C168 PolarHBondContact O-N 2.92Å; N134-C168 CarbonylContact C-O 3.59Å; N134-C168 VanDerWaalsContact CA-O 3.24Å; N134-C168 WeakPolarHBondContact CA-O 3.39Å; N134-C168 PolarHBondContact OD1-O 3.35Å; K135-C168 PolarHBondContact N-O 2.92Å; K135-C168 VanDerWaalsContact N-O 3.14Å; Q136-C168 PolarHBondContact N-O 2.78Å; C168-D174 WeakPolarHBondContact CA-O 3.48Å
169T96.8Very high94.9Very high8 Ų850 Ų505%0.04928%0.277CS..BIsolated β-bridgetrans-125.198.4165.3-650000107.8D137 L171 T172 G173 D174D137-T169 HydrophobicContact CB-CG2 3.74Å; D137-T169 PolarHBondContact N-OG1 3.3Å; D137-T169 WeakPolarHBondContact OD1-CG2 3.34Å; T169-L171 HydrophobicContact CG2-CB 4.39Å; T169-L171 PolarHBondContact O-N 3.3Å; T169-T172 WeakPolarHBondContact CB-OG1 3.42Å; T169-T172 HydrophobicContact CG2-CG2 3.9Å; T169-T172 WeakPolarHBondContact CG2-OG1 3.3Å; T169-T172 PolarHBondContact O-N 3.38Å; T169-T172 PolarHBondContact O-OG1 2.96Å; T169-G173 VanDerWaalsContact O-CA 3.25Å; T169-G173 WeakPolarHBondContact O-CA 3.39Å; T169-G173 PolarHBondContact O-N 3.27Å; T169-D174 PolarHBondContact N-O 3.03Å; T169-D174 PolarHBondContact O-N 2.75Å
170A94.6Very high95.4Very high2 Ų247.4 Ų47.42%0.01725%0.25CS..THydrogen-bonded Turntrans-60.8-26.9-176.500000113.5T32 F33 Q36 N134T32-A170 HydrophobicContact CG2-CB 3.83Å; F33-A170 HydrophobicContact CB-CB 4.12Å; Q36-A170 VanDerWaalsContact CB-O 3.32Å; Q36-A170 WeakPolarHBondContact CB-O 3.28Å; Q36-A170 VanDerWaalsContact CG-O 3.31Å; Q36-A170 WeakPolarHBondContact CG-O 3.34Å; N134-A170 WeakPolarHBondContact OD1-CB 3.28Å; N134-A170 PolarHBondContact OD1-N 2.91Å
171L92.7Very high95.9Very high96 Ų9642.3 Ų42.350%0.50323%0.23SC..THydrogen-bonded Turntrans-72.4-45.4-179.9-69.5174.4000113.2T32 L50 T169T32-L171 HydrophobicContact CG2-CD2 3.83Å; T32-L171 HydrophobicContact CG2-CG 4.44Å; L50-L171 HydrophobicContact CB-CD2 4.09Å; T169-L171 HydrophobicContact CG2-CB 4.39Å; T169-L171 PolarHBondContact O-N 3.3Å
172T92.2Very high96.1Very high72 Ų7243.1 Ų43.144%0.44223%0.233SC..THydrogen-bonded Turntrans-84.9-26.6177.362.10000111.2Q36 T169 D174Q36-T172 PolarHBondContact NE2-O 2.89Å; T169-T172 WeakPolarHBondContact CB-OG1 3.42Å; T169-T172 HydrophobicContact CG2-CG2 3.9Å; T169-T172 WeakPolarHBondContact CG2-OG1 3.3Å; T169-T172 PolarHBondContact O-N 3.38Å; T169-T172 PolarHBondContact O-OG1 2.96Å; T172-D174 WeakPolarHBondContact CB-OD2 3.43Å; T172-D174 PolarHBondContact OG1-N 3.02Å; T172-D174 PolarHBondContact OG1-OD2 2.87Å
173G93Very high96.2Very high0 Ų040 Ų400%022%0.217CC..THydrogen-bonded Turntrans85.314.4-174.500000114.4K40 T169 G175 V176K40-G173 VanDerWaalsContact NZ-C 3.34Å; K40-G173 PolarHBondContact NZ-O 3.45Å; T169-G173 VanDerWaalsContact O-CA 3.25Å; T169-G173 WeakPolarHBondContact O-CA 3.39Å; T169-G173 PolarHBondContact O-N 3.27Å; G173-G175 PolarHBondContact O-N 3.39Å; G173-V176 WeakPolarHBondContact O-CB 3.16Å; G173-V176 WeakPolarHBondContact O-CG2 3.46Å; G173-V176 PolarHBondContact O-N 2.92Å
174D95.9Very high96.3Very high98 Ų9838.7 Ų38.752%0.52421%0.207SC..BIsolated β-bridgetrans-64.4132.7173.9-59.3-37.2000109.8C168 T169 T172 V176C168-D174 WeakPolarHBondContact CA-O 3.48Å; T169-D174 PolarHBondContact N-O 3.03Å; T169-D174 PolarHBondContact O-N 2.75Å; T172-D174 WeakPolarHBondContact CB-OD2 3.43Å; T172-D174 PolarHBondContact OG1-N 3.02Å; T172-D174 PolarHBondContact OG1-OD2 2.87Å; D174-V176 PolarHBondContact O-N 3.02Å
175G95.1Very high96.3Very high14 Ų1443.1 Ų43.114%0.14422%0.224CC..THydrogen-bonded Turntrans79.8-13.1-174.900000115.2Q166 G173 E178 G179Q166-G175 PolarHBondContact NE2-O 2.85Å; G173-G175 PolarHBondContact O-N 3.39Å; G175-E178 VanDerWaalsContact C-OE2 3.29Å; G175-E178 WeakPolarHBondContact CA-OE2 3.14Å; G175-E178 PolarHBondContact N-OE2 3.18Å; G175-G179 PolarHBondContact O-N 3.04Å
176V95.9Very high96.3Very high0 Ų041.5 Ų41.50%021%0.214CC..Hα-helixtrans-64.8-45.6-179.3175.70000111.3F33 Q36 T37 G173 D174 G179 I180F33-V176 HydrophobicContact CD2-CG2 3.83Å; F33-V176 HydrophobicContact CE2-CB 4.1Å; F33-V176 HydrophobicContact CE2-CG1 4Å; F33-V176 HydrophobicContact CE2-CG2 3.7Å; F33-V176 HydrophobicContact CZ-CG1 4.28Å; Q36-V176 HydrophobicContact CG-CG2 4.16Å; T37-V176 VanDerWaalsContact OG1-CG1 3.27Å; T37-V176 WeakPolarHBondContact OG1-CG1 3.32Å; G173-V176 WeakPolarHBondContact O-CB 3.16Å; G173-V176 WeakPolarHBondContact O-CG2 3.46Å; G173-V176 PolarHBondContact O-N 2.92Å; D174-V176 PolarHBondContact O-N 3.02Å; V176-G179 PolarHBondContact O-N 2.74Å; V176-I180 HydrophobicContact CG1-CG1 4.4Å; V176-I180 WeakPolarHBondContact O-CB 3.38Å; V176-I180 VanDerWaalsContact O-CG1 3.28Å; V176-I180 WeakPolarHBondContact O-CG1 3.48Å; V176-I180 PolarHBondContact O-N 3.41Å
177N95.9Very high96.2Very high49 Ų4940.5 Ų40.526%0.26221%0.21SC..Hα-helixtrans-66.3-46.6-175.4-75.5-18.1000111.4K40 F41 G179 I180 Q181K40-N177 WeakPolarHBondContact CD-OD1 3.42Å; F41-N177 VanDerWaalsContact CE2-OD1 3.25Å; F41-N177 WeakPolarHBondContact CE2-OD1 3.46Å; F41-N177 HydrophobicContact CZ-CB 4.35Å; F41-N177 WeakPolarHBondContact CZ-OD1 3.3Å; N177-G179 VanDerWaalsContact C-N 3.34Å; N177-I180 PolarHBondContact O-N 3.35Å; N177-Q181 WeakPolarHBondContact O-CB 3.35Å; N177-Q181 VanDerWaalsContact O-CG 3.22Å; N177-Q181 WeakPolarHBondContact O-CG 3.45Å; N177-Q181 PolarHBondContact O-N 3.48Å
178E97Very high96.1Very high104 Ų10441 Ų4149%0.48621%0.211SC..Hα-helixtrans-61.3-45.2-179.9-62.474.1-164.100110.3G175 Q181 W182G175-E178 VanDerWaalsContact C-OE2 3.29Å; G175-E178 WeakPolarHBondContact CA-OE2 3.14Å; G175-E178 PolarHBondContact N-OE2 3.18Å; E178-Q181 PolarHBondContact O-N 3.4Å; E178-W182 WeakPolarHBondContact O-CB 3.5Å; E178-W182 PolarHBondContact O-N 2.73Å
179G97.6Very high96Very high0 Ų047.5 Ų47.50%024%0.236CC..Hα-helixtrans-63.3-46.7178.100000112.8L130 G175 V176 N177 W182 M183L130-G179 WeakPolarHBondContact CD2-O 3.47Å; G175-G179 PolarHBondContact O-N 3.04Å; V176-G179 PolarHBondContact O-N 2.74Å; N177-G179 VanDerWaalsContact C-N 3.34Å; G179-W182 PolarHBondContact O-N 3.29Å; G179-M183 WeakPolarHBondContact O-CB 3.48Å; G179-M183 PolarHBondContact O-N 2.88Å
180I97.9Very high95.9Very high0 Ų048.1 Ų48.10%024%0.239CC..Hα-helixtrans-66-42178.2-67.5-52.6000111.4F33 T37 F41 I64 V66 L71 F73 I97 V176 N177 W182 M183 V184F33-I180 HydrophobicContact CE1-CD1 4.01Å; F33-I180 HydrophobicContact CZ-CD1 3.89Å; F33-I180 HydrophobicContact CZ-CG1 4.22Å; T37-I180 HydrophobicContact CG2-CD1 4.03Å; T37-I180 HydrophobicContact CG2-CG1 3.85Å; F41-I180 HydrophobicContact CD2-CG2 4.5Å; F41-I180 HydrophobicContact CE1-CG2 4.33Å; F41-I180 HydrophobicContact CE2-CB 4.01Å; F41-I180 HydrophobicContact CE2-CG1 4.24Å; F41-I180 HydrophobicContact CE2-CG2 3.97Å; F41-I180 HydrophobicContact CZ-CB 4.04Å; F41-I180 HydrophobicContact CZ-CG2 3.87Å; I64-I180 HydrophobicContact CD1-CG2 3.69Å; V66-I180 HydrophobicContact CG2-CG2 4.08Å; L71-I180 HydrophobicContact CD1-CG2 4.23Å; F73-I180 HydrophobicContact CE1-CD1 3.97Å; F73-I180 HydrophobicContact CZ-CD1 3.7Å; I97-I180 HydrophobicContact CD1-CD1 4.13Å; V176-I180 HydrophobicContact CG1-CG1 4.4Å; V176-I180 WeakPolarHBondContact O-CB 3.38Å; V176-I180 VanDerWaalsContact O-CG1 3.28Å; V176-I180 WeakPolarHBondContact O-CG1 3.48Å; V176-I180 PolarHBondContact O-N 3.41Å; N177-I180 PolarHBondContact O-N 3.35Å; I180-W182 VanDerWaalsContact C-N 3.34Å; I180-W182 PolarHBondContact O-N 2.97Å; I180-M183 PolarHBondContact O-N 3.46Å; I180-V184 HydrophobicContact CG2-CG2 4.47Å; I180-V184 WeakPolarHBondContact O-CG2 3.49Å; I180-V184 PolarHBondContact O-N 2.96Å
181Q97.1Very high95.6Very high116 Ų11654.8 Ų54.854%0.54227%0.272SS..Hα-helixtrans-62.2-41.6176.3-74.4176.38.700112N177 E178 V184 K185N177-Q181 WeakPolarHBondContact O-CB 3.35Å; N177-Q181 VanDerWaalsContact O-CG 3.22Å; N177-Q181 WeakPolarHBondContact O-CG 3.45Å; N177-Q181 PolarHBondContact O-N 3.48Å; E178-Q181 PolarHBondContact O-N 3.4Å; Q181-V184 PolarHBondContact O-N 2.8Å; Q181-K185 PolarHBondContact O-N 2.81Å; Q181-K185 VanDerWaalsContact O-N 3.09Å
182W98.2Very high95.4Very high54 Ų5457.3 Ų57.321%0.20528%0.281CS..Hα-helixtrans-61-46.7173.5179.688.8000111.4P128 L129 L130 D162 L164 E178 G179 I180 V184 K185 C186P128-W182 HydrophobicContact CB-CH2 4.37Å; L129-W182 VanDerWaalsContact O-CH2 3.29Å; L129-W182 WeakPolarHBondContact O-CH2 3.49Å; L130-W182 HydrophobicContact CB-CE3 4.06Å; L130-W182 HydrophobicContact CB-CZ3 3.72Å; L130-W182 HydrophobicContact CD1-CE3 3.98Å; L130-W182 HydrophobicContact CD1-CZ3 4.28Å; L130-W182 HydrophobicContact CG-CE3 4.45Å; D162-W182 HydrophobicContact CB-CH2 4.31Å; D162-W182 HydrophobicContact CB-CZ2 4.07Å; L164-W182 HydrophobicContact CB-CD2 3.77Å; L164-W182 VanDerWaalsContact CB-CE2 3.43Å; L164-W182 HydrophobicContact CB-CE3 4.11Å; L164-W182 HydrophobicContact CB-CG 4.38Å; L164-W182 HydrophobicContact CB-CH2 3.88Å; L164-W182 HydrophobicContact CB-CZ2 3.49Å; L164-W182 VanDerWaalsContact CB-CZ2 3.49Å; L164-W182 HydrophobicContact CB-CZ3 4.17Å; L164-W182 HydrophobicContact CD2-CB 3.91Å; L164-W182 HydrophobicContact CD2-CD2 3.7Å; L164-W182 HydrophobicContact CD2-CE3 4.33Å; L164-W182 HydrophobicContact CD2-CG 3.47Å; L164-W182 VanDerWaalsContact CD2-CG 3.47Å; L164-W182 HydrophobicContact CG-CD2 4.38Å; E178-W182 WeakPolarHBondContact O-CB 3.5Å; E178-W182 PolarHBondContact O-N 2.73Å; G179-W182 PolarHBondContact O-N 3.29Å; I180-W182 VanDerWaalsContact C-N 3.34Å; I180-W182 PolarHBondContact O-N 2.97Å; W182-V184 PolarHBondContact O-N 3.44Å; W182-K185 WeakPolarHBondContact O-CB 3.45Å; W182-K185 PolarHBondContact O-N 2.79Å; W182-C186 VanDerWaalsContact CE2-SG 3.51Å; W182-C186 VanDerWaalsContact CZ2-SG 3.56Å; W182-C186 PolarHBondContact O-N 2.94Å
183M98.3Very high95.4Very high0 Ų057.2 Ų57.20%027%0.273CS..Hα-helixtrans-58.4-48.3178.3-176.75774.500111.4V20 V96 I97 P128 L130 G179 I180 K185 C186 V187V20-M183 HydrophobicContact CG1-CE 4.38Å; V20-M183 HydrophobicContact CG1-CG 4.35Å; V20-M183 HydrophobicContact CG2-CG 4.19Å; V96-M183 VanDerWaalsContact O-CE 3.26Å; V96-M183 WeakPolarHBondContact O-CE 3.29Å; I97-M183 HydrophobicContact CG1-CE 3.75Å; P128-M183 HydrophobicContact CG-SD 4.29Å; L130-M183 HydrophobicContact CB-CE 3.62Å; G179-M183 WeakPolarHBondContact O-CB 3.48Å; G179-M183 PolarHBondContact O-N 2.88Å; I180-M183 PolarHBondContact O-N 3.46Å; M183-K185 VanDerWaalsContact C-N 3.31Å; M183-K185 PolarHBondContact O-N 2.89Å; M183-C186 PolarHBondContact O-N 2.85Å; M183-C186 VanDerWaalsContact O-N 3.15Å; M183-V187 HydrophobicContact CG-CG1 4.26Å; M183-V187 WeakPolarHBondContact O-CG1 3.35Å; M183-V187 WeakPolarHBondContact O-CG2 3.4Å; M183-V187 PolarHBondContact O-N 2.99Å; M183-V187 HydrophobicContact SD-CG1 3.73Å
184V97.3Very high95.3Very high21 Ų2161 Ų6113%0.12730%0.297CS..Hα-helixtrans-56-46.3176.6172.50000111.1V66 A69 L71 I180 Q181 W182 C186 V187 V188V66-V184 HydrophobicContact CB-CG2 3.92Å; V66-V184 HydrophobicContact CG1-CG2 4.09Å; V66-V184 HydrophobicContact CG2-CG2 4.2Å; A69-V184 HydrophobicContact CB-CG1 4Å; L71-V184 HydrophobicContact CD1-CG2 3.66Å; L71-V184 HydrophobicContact CD2-CG2 4.22Å; L71-V184 HydrophobicContact CG-CG2 4.04Å; I180-V184 HydrophobicContact CG2-CG2 4.47Å; I180-V184 WeakPolarHBondContact O-CG2 3.49Å; I180-V184 PolarHBondContact O-N 2.96Å; Q181-V184 PolarHBondContact O-N 2.8Å; W182-V184 PolarHBondContact O-N 3.44Å; V184-C186 VanDerWaalsContact C-N 3.31Å; V184-C186 PolarHBondContact O-N 2.84Å; V184-V187 WeakPolarHBondContact O-CG2 3.16Å; V184-V188 HydrophobicContact CG1-CG2 4.21Å; V184-V188 WeakPolarHBondContact O-CB 3.27Å; V184-V188 WeakPolarHBondContact O-CG2 3.21Å; V184-V188 PolarHBondContact O-N 3.48Å; V184-V188 VanDerWaalsContact O-N 3.08Å
185K97.2Very high95Very high144 Ų14458 Ų5863%0.62628%0.283SS*.Hα-helixtrans-60.4-42179.2-176.4-178.4177.8-178.10111.8Q181 W182 M183 R189Q181-K185 PolarHBondContact O-N 2.81Å; Q181-K185 VanDerWaalsContact O-N 3.09Å; W182-K185 WeakPolarHBondContact O-CB 3.45Å; W182-K185 PolarHBondContact O-N 2.79Å; M183-K185 VanDerWaalsContact C-N 3.31Å; M183-K185 PolarHBondContact O-N 2.89Å; K185-R189 VanDerWaalsContact O-CB 3.31Å; K185-R189 WeakPolarHBondContact O-CB 3.44Å; K185-R189 PolarHBondContact O-N 3.27Å
186C97.2Very high94.6Very high3 Ų363 Ų632%0.0230%0.298CS..Hα-helixtrans-69.9-48.8-179.6-750000112.5P128 W182 M183 V184 V188 R189 N190P128-C186 HydrophobicContact CB-CB 3.61Å; P128-C186 HydrophobicContact CG-CB 3.98Å; W182-C186 VanDerWaalsContact CE2-SG 3.51Å; W182-C186 VanDerWaalsContact CZ2-SG 3.56Å; W182-C186 PolarHBondContact O-N 2.94Å; M183-C186 PolarHBondContact O-N 2.85Å; M183-C186 VanDerWaalsContact O-N 3.15Å; V184-C186 VanDerWaalsContact C-N 3.31Å; V184-C186 PolarHBondContact O-N 2.84Å; C186-V188 PolarHBondContact O-N 3.37Å; C186-R189 PolarHBondContact O-N 2.85Å; C186-N190 PolarHBondContact O-N 2.86Å; C186-N190 VanDerWaalsContact O-N 3.08Å
187V96.6Very high93.3Very high1 Ų171 Ų711%0.00634%0.335CS..Hα-helixtrans-65.6-38.8-178.2-56.60000112Y18 L71 H94 P128 M183 V184 R189 N190Y18-V187 HydrophobicContact CD1-CB 3.78Å; Y18-V187 HydrophobicContact CD1-CG2 3.77Å; Y18-V187 HydrophobicContact CD2-CG2 4.11Å; Y18-V187 HydrophobicContact CE1-CB 4.29Å; Y18-V187 HydrophobicContact CE1-CG2 4.25Å; Y18-V187 WeakPolarHBondContact CE1-O 3.29Å; Y18-V187 HydrophobicContact CG-CB 4.16Å; Y18-V187 HydrophobicContact CG-CG2 3.7Å; L71-V187 HydrophobicContact CD2-CG2 4.14Å; H94-V187 HydrophobicContact CB-CB 4.48Å; H94-V187 HydrophobicContact CB-CG1 4.36Å; H94-V187 WeakPolarHBondContact O-CG1 3.36Å; P128-V187 HydrophobicContact CG-CG1 3.91Å; M183-V187 HydrophobicContact CG-CG1 4.26Å; M183-V187 WeakPolarHBondContact O-CG1 3.35Å; M183-V187 WeakPolarHBondContact O-CG2 3.4Å; M183-V187 PolarHBondContact O-N 2.99Å; M183-V187 HydrophobicContact SD-CG1 3.73Å; V184-V187 WeakPolarHBondContact O-CG2 3.16Å; V187-R189 VanDerWaalsContact C-N 3.32Å; V187-R189 PolarHBondContact O-N 3.39Å; V187-N190 PolarHBondContact O-N 2.88Å
188V95.3Very high91.6Very high78 Ų7873 Ų7347%0.47334%0.342SS..Hα-helixtrans-67.8-32.7177.9171.60000111.9Y18 A69 V184 C186 N190Y18-V188 HydrophobicContact CE2-CG2 3.88Å; A69-V188 HydrophobicContact CB-CG2 4.16Å; V184-V188 HydrophobicContact CG1-CG2 4.21Å; V184-V188 WeakPolarHBondContact O-CB 3.27Å; V184-V188 WeakPolarHBondContact O-CG2 3.21Å; V184-V188 PolarHBondContact O-N 3.48Å; V184-V188 VanDerWaalsContact O-N 3.08Å; C186-V188 PolarHBondContact O-N 3.37Å; V188-N190 VanDerWaalsContact C-N 3.35Å
189R94.7Very high89.3Confident138 Ų13874.9 Ų74.952%0.52136%0.355SS..Hα-helixtrans-78.1-21.2177.4-174.917864.5175.5-0.6112.4D162 K185 C186 V187 I191D162-R189 IonicContact OD1-CZ 3.75Å; D162-R189 IonicContact OD1-NH2 2.67Å; D162-R189 PolarHBondContact OD1-NH2 3.38Å; D162-R189 IonicContact OD2-CZ 2.7Å; D162-R189 IonicContact OD2-NH2 3.98Å; D162-R189 PolarHBondContact OD2-NH2 2.83Å; K185-R189 VanDerWaalsContact O-CB 3.31Å; K185-R189 WeakPolarHBondContact O-CB 3.44Å; K185-R189 PolarHBondContact O-N 3.27Å; C186-R189 PolarHBondContact O-N 2.85Å; V187-R189 VanDerWaalsContact C-N 3.32Å; V187-R189 PolarHBondContact O-N 3.39Å; R189-I191 PolarHBondContact O-N 2.97Å
190N93.4Very high86.9Confident21 Ų2180.3 Ų80.311%0.11238%0.383CS..  trans-7693.3-172.8-167.7-10.6000112G126 C186 V187 V188 H192 R193G126-N190 PolarHBondContact O-ND2 3.38Å; C186-N190 PolarHBondContact O-N 2.86Å; C186-N190 VanDerWaalsContact O-N 3.08Å; V187-N190 PolarHBondContact O-N 2.88Å; V188-N190 VanDerWaalsContact C-N 3.35Å; N190-H192 PolarHBondContact O-N 3.41Å; N190-H192 PolarHBondContact OD1-N 2.98Å; N190-H192 VanDerWaalsContact OD1-N 3.14Å; N190-R193 CarbonylContact O-C 3.58Å; N190-R193 PolarHBondContact O-N 3.18Å
191I89.1Confident84.3Confident142 Ų14289.5 Ų89.573%0.72844%0.439SS*.THydrogen-bonded Turntrans-64.8-21.1179.563.8173.8000113.8R189 R193R189-I191 PolarHBondContact O-N 2.97Å; I191-R193 VanDerWaalsContact C-N 3.34Å
192H89.3Confident83.6Confident148 Ų14888.2 Ų88.269%0.68543%0.434SS*.THydrogen-bonded Turntrans-83.3-13.8-179-60.3-64.5000112.9N190N190-H192 PolarHBondContact O-N 3.41Å; N190-H192 PolarHBondContact OD1-N 2.98Å; N190-H192 VanDerWaalsContact OD1-N 3.14Å
193R91.3Very high82.8Confident71 Ų7189.9 Ų89.927%0.26845%0.446SS..SBendtrans-128.672.4176.5-68.8-71.6-171.6-111.82.8108.6A123 V127 N190 I191A123-R193 PolarHBondContact O-NH2 2.89Å; V127-R193 HydrophobicContact CG2-CG 4.31Å; N190-R193 CarbonylContact O-C 3.58Å; N190-R193 PolarHBondContact O-N 3.18Å; I191-R193 VanDerWaalsContact C-N 3.34Å
194P90.4Very high82Confident79 Ų7994.9 Ų94.951%0.51347%0.471SS..  trans-63.7155.8-178.829.3-35.9000111H94H94-P194 PolarHBondContact CD2-O 3.37Å; H94-P194 PolarHBondContact NE2-O 3.46Å
195P90.8Very high81.1Confident36 Ų3699.3 Ų99.323%0.23449%0.491CS..  trans-58.4150.7179.923.4-32.8000112.1D16 E17 Y18 Q197D16-P195 HydrophobicContact CB-CB 3.71Å; D16-P195 HydrophobicContact CB-CG 3.93Å; E17-P195 WeakPolarHBondContact O-CA 3.26Å; Y18-P195 HydrophobicContact CD1-CB 4.33Å; Y18-P195 HydrophobicContact CE1-CB 3.82Å; Y18-P195 HydrophobicContact CE1-CG 4.34Å; Y18-P195 HydrophobicContact CE2-CB 4.08Å; P195-Q197 PolarHBondContact O-N 2.91Å
196R85.9Confident80.1Confident118 Ų11896.5 Ų96.545%0.44548%0.482SS..BIsolated β-bridgetrans-60.3113.1179.6-170.5176172.2160.8-0.5109.9E17 K198E17-R196 HydrophobicContact CB-CB 4.49Å; E17-R196 PolarHBondContact O-N 3.13Å; R196-K198 PolarHBondContact O-N 3Å
197Q69.4Low78.9Confident169 Ų169102.7 Ų102.779%0.7951%0.513SS*.  trans-70128.4173.6-67.5-176.24.700108.8P195P195-Q197 PolarHBondContact O-N 2.91Å
198K59.3Low77.7Confident91 Ų91110 Ų11040%0.39655%0.549SS..  trans-86.8120.7164.2-67.7-178177.7169.70106E17 R196 I200E17-K198 WeakPolarHBondContact OE2-CE 3.43Å; E17-K198 IonicContact OE2-NZ 2.72Å; E17-K198 PolarHBondContact OE2-NZ 2.95Å; R196-K198 PolarHBondContact O-N 3Å; K198-I200 PolarHBondContact O-N 3.24Å
199D49.2Very low76.3Confident142 Ų142112.5 Ų112.576%0.75956%0.555SS**  trans-53.1111.2170.7-67.8-43.1000108T201D199-T201 PolarHBondContact O-N 3.37Å
200I47.9Very low74.8Confident115 Ų115110.3 Ų110.359%0.5956%0.558SS**  trans-73.587.9174.7-53.5175.1000105.4Y11 K198Y11-I200 HydrophobicContact CD2-CD1 4.33Å; K198-I200 PolarHBondContact O-N 3.24Å
201T41.6Very low73.1Confident192 Ų192118.5 Ų118.5100%1.17860%0.599SS**  trans-94.40167.433.80000110.6D199D199-T201 PolarHBondContact O-N 3.37Å

Retrieved 201 of 201 residues in 626.6 ms (Link to these results)

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