A0A5K4F245_SCHMA Loading...

EF-hand domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F245, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 231 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M59.3Low85.4Confident154 Ų15458.8 Ų58.876%0.75929%0.291SS*.  0122.10-151.3-176.2-69.300106.5E5 Q6M1-E5 HydrophobicContact CG-CB 4.13Å; M1-E5 WeakPolarHBondContact CG-OE2 3.42Å; M1-Q6 HydrophobicContact CB-CG 4.06Å; M1-Q6 HydrophobicContact CG-CG 4.05Å; M1-Q6 PolarHBondContact O-NE2 3.48Å; M1-Q6 HydrophobicContact SD-CG 3.82Å
2E83.4Confident84.9Confident113 Ų11368.4 Ų68.453%0.52833%0.33SS..  trans-66.7149-175.8-165.3171-172.900110.1L4 E5 Q6E2-L4 PolarHBondContact O-N 3.34Å; E2-E5 HydrophobicContact CB-CG 4.14Å; E2-E5 PolarHBondContact N-OE2 3.35Å; E2-E5 WeakPolarHBondContact O-CB 3.45Å; E2-E5 PolarHBondContact O-N 3.42Å; E2-E5 VanDerWaalsContact O-N 3.1Å; E2-Q6 PolarHBondContact O-N 3.32Å
3Y88.7Confident84.2Confident88 Ų8869 Ų6935%0.34534%0.335SS..Hα-helixtrans-60.3-32.9-175.8-77.8-74.9000112.8Q6 F7 W40 L43 F44 L61Y3-Q6 PolarHBondContact O-N 3.09Å; Y3-F7 WeakPolarHBondContact O-CB 3.15Å; Y3-F7 PolarHBondContact O-N 2.84Å; Y3-W40 HydrophobicContact CD1-CH2 4.29Å; Y3-W40 AromaticContact CD1-CZ2 3.79Å; Y3-W40 HydrophobicContact CD1-CZ2 3.79Å; Y3-W40 HydrophobicContact CE1-CZ2 4.41Å; Y3-L43 HydrophobicContact CE1-CD1 4.28Å; Y3-L43 WeakPolarHBondContact OH-CD1 3.49Å; Y3-F44 AromaticContact CD1-CE2 3.56Å; Y3-F44 HydrophobicContact CD1-CE2 3.56Å; Y3-F44 AromaticContact CD1-CZ 3.54Å; Y3-F44 HydrophobicContact CD1-CZ 3.54Å; Y3-F44 HydrophobicContact CD2-CZ 4.06Å; Y3-F44 AromaticContact CE1-CE2 3.92Å; Y3-F44 HydrophobicContact CE1-CE2 3.92Å; Y3-F44 HydrophobicContact CE1-CZ 4.03Å; Y3-F44 HydrophobicContact CE2-CZ 4.5Å; Y3-F44 HydrophobicContact CG-CE2 4.08Å; Y3-F44 AromaticContact CG-CZ 3.55Å; Y3-F44 HydrophobicContact CG-CZ 3.55Å; Y3-L61 HydrophobicContact CD2-CD2 4.02Å
4L87.7Confident83.7Confident23 Ų2375.2 Ų75.212%0.1235%0.354CS..Hα-helixtrans-64.4-45.8173.2-81.8175.8000112.1E2 Q6 F7 T8 I54 V57 L61 V63 P66E2-L4 PolarHBondContact O-N 3.34Å; L4-Q6 VanDerWaalsContact C-N 3.3Å; L4-Q6 PolarHBondContact O-N 3.06Å; L4-F7 WeakPolarHBondContact O-CB 3.47Å; L4-F7 PolarHBondContact O-N 2.86Å; L4-F7 VanDerWaalsContact O-N 3.13Å; L4-T8 WeakPolarHBondContact O-CG2 3.46Å; L4-T8 PolarHBondContact O-N 3.48Å; L4-I54 HydrophobicContact CD2-CD1 3.68Å; L4-V57 HydrophobicContact CD2-CG1 3.96Å; L4-V57 HydrophobicContact CG-CG1 4.41Å; L4-L61 HydrophobicContact CG-CD1 3.91Å; L4-V63 HydrophobicContact CD1-CB 4.44Å; L4-V63 HydrophobicContact CD1-CG2 3.46Å; L4-V63 VanDerWaalsContact CD1-CG2 3.46Å; L4-V63 HydrophobicContact CG-CG2 4.29Å; L4-P66 HydrophobicContact CD2-CG 4.31Å
5E86.9Confident83.4Confident100 Ų10073 Ų7347%0.46735%0.345SS..Hα-helixtrans-59.1-46176.4-63.6176.514900110.2M1 E2 F7 T8 V9M1-E5 HydrophobicContact CG-CB 4.13Å; M1-E5 WeakPolarHBondContact CG-OE2 3.42Å; E2-E5 HydrophobicContact CB-CG 4.14Å; E2-E5 PolarHBondContact N-OE2 3.35Å; E2-E5 WeakPolarHBondContact O-CB 3.45Å; E2-E5 PolarHBondContact O-N 3.42Å; E2-E5 VanDerWaalsContact O-N 3.1Å; E5-F7 VanDerWaalsContact C-N 3.31Å; E5-F7 PolarHBondContact O-N 2.72Å; E5-T8 PolarHBondContact O-N 3.04Å; E5-T8 PolarHBondContact O-OG1 3.34Å; E5-V9 WeakPolarHBondContact O-CG2 3.35Å; E5-V9 PolarHBondContact O-N 3.38Å; E5-V9 VanDerWaalsContact O-N 3.1Å
6Q89.7Confident83.5Confident28 Ų2868.8 Ų68.813%0.13133%0.327CS..Hα-helixtrans-59.4-42.9175.5-68.2-178.751.500111.4M1 E2 Y3 L4 T8 V9 I10 W40M1-Q6 HydrophobicContact CB-CG 4.06Å; M1-Q6 HydrophobicContact CG-CG 4.05Å; M1-Q6 PolarHBondContact O-NE2 3.48Å; M1-Q6 HydrophobicContact SD-CG 3.82Å; E2-Q6 PolarHBondContact O-N 3.32Å; Y3-Q6 PolarHBondContact O-N 3.09Å; L4-Q6 VanDerWaalsContact C-N 3.3Å; L4-Q6 PolarHBondContact O-N 3.06Å; Q6-T8 VanDerWaalsContact C-N 3.31Å; Q6-T8 PolarHBondContact O-N 3.36Å; Q6-V9 PolarHBondContact O-N 3.02Å; Q6-V9 VanDerWaalsContact O-N 3.12Å; Q6-I10 HydrophobicContact CB-CD1 4.41Å; Q6-I10 VanDerWaalsContact O-CD1 3.28Å; Q6-I10 WeakPolarHBondContact O-CD1 3.4Å; Q6-I10 WeakPolarHBondContact O-CG1 3.5Å; Q6-I10 PolarHBondContact O-N 3.21Å; Q6-W40 HydrophobicContact CB-CH2 3.75Å; Q6-W40 HydrophobicContact CB-CZ2 3.61Å; Q6-W40 HydrophobicContact CG-CZ2 4.43Å
7F90.7Very high83.7Confident0 Ų068 Ų680%033%0.325CS..Hα-helixtrans-56.5-47.3176.6-170.7-76.5000111Y3 L4 E5 V9 I10 D11 I18 W40 I52 I54 V57 Y69Y3-F7 WeakPolarHBondContact O-CB 3.15Å; Y3-F7 PolarHBondContact O-N 2.84Å; L4-F7 WeakPolarHBondContact O-CB 3.47Å; L4-F7 PolarHBondContact O-N 2.86Å; L4-F7 VanDerWaalsContact O-N 3.13Å; E5-F7 VanDerWaalsContact C-N 3.31Å; E5-F7 PolarHBondContact O-N 2.72Å; F7-V9 PolarHBondContact O-N 3.16Å; F7-I10 PolarHBondContact O-N 3.3Å; F7-I10 VanDerWaalsContact O-N 3.14Å; F7-D11 HydrophobicContact CD1-CB 4.03Å; F7-D11 HydrophobicContact CE1-CB 3.73Å; F7-D11 HydrophobicContact CZ-CB 4.5Å; F7-D11 WeakPolarHBondContact O-CB 3.49Å; F7-D11 PolarHBondContact O-N 3.25Å; F7-I18 HydrophobicContact CB-CD1 4.17Å; F7-I18 HydrophobicContact CD1-CD1 4.04Å; F7-I18 HydrophobicContact CD2-CD1 3.16Å; F7-I18 HydrophobicContact CD2-CG1 3.97Å; F7-I18 HydrophobicContact CE1-CD1 4.18Å; F7-I18 HydrophobicContact CE1-CG1 4.23Å; F7-I18 HydrophobicContact CE2-CB 4.2Å; F7-I18 HydrophobicContact CE2-CD1 3.35Å; F7-I18 HydrophobicContact CE2-CG1 3.6Å; F7-I18 HydrophobicContact CG-CD1 3.54Å; F7-I18 HydrophobicContact CG-CG1 4.44Å; F7-I18 HydrophobicContact CZ-CD1 3.86Å; F7-I18 HydrophobicContact CZ-CG1 3.73Å; F7-W40 HydrophobicContact CB-CH2 4.5Å; F7-W40 HydrophobicContact CD2-CZ3 4.38Å; F7-I52 HydrophobicContact CE2-CG2 4.15Å; F7-I54 HydrophobicContact CD1-CD1 3.72Å; F7-I54 HydrophobicContact CE1-CB 3.87Å; F7-I54 HydrophobicContact CE1-CD1 3.95Å; F7-I54 HydrophobicContact CE1-CG1 4.44Å; F7-I54 HydrophobicContact CG-CD1 4.07Å; F7-I54 HydrophobicContact CZ-CB 3.9Å; F7-I54 HydrophobicContact CZ-CD1 4.47Å; F7-V57 HydrophobicContact CD2-CB 4.39Å; F7-V57 HydrophobicContact CD2-CG2 3.6Å; F7-V57 HydrophobicContact CE2-CG2 3.97Å; F7-Y69 HydrophobicContact CD1-CE2 4.43Å; F7-Y69 HydrophobicContact CE1-CE1 4.41Å; F7-Y69 HydrophobicContact CE1-CE2 4.49Å; F7-Y69 AromaticContact CE1-CZ 3.94Å
8T87.9Confident83.9Confident55 Ų5564.2 Ų64.234%0.33731%0.307SS..Hα-helixtrans-65.4-27.3179.864.20000113.8L4 E5 Q6 F68 Y69L4-T8 WeakPolarHBondContact O-CG2 3.46Å; L4-T8 PolarHBondContact O-N 3.48Å; E5-T8 PolarHBondContact O-N 3.04Å; E5-T8 PolarHBondContact O-OG1 3.34Å; Q6-T8 VanDerWaalsContact C-N 3.31Å; Q6-T8 PolarHBondContact O-N 3.36Å; T8-F68 HydrophobicContact CG2-CE2 4.47Å; T8-F68 HydrophobicContact CG2-CZ 3.66Å; T8-Y69 HydrophobicContact CG2-CE2 4.27Å
9V89Confident84.2Confident74 Ų7462.6 Ų62.645%0.44830%0.303SS..Hα-helixtrans-76.6-35.1174.7174.40000111.5E5 Q6 F7 Y26E5-V9 WeakPolarHBondContact O-CG2 3.35Å; E5-V9 PolarHBondContact O-N 3.38Å; E5-V9 VanDerWaalsContact O-N 3.1Å; Q6-V9 PolarHBondContact O-N 3.02Å; Q6-V9 VanDerWaalsContact O-N 3.12Å; F7-V9 PolarHBondContact O-N 3.16Å; V9-Y26 HydrophobicContact CB-CE2 4.46Å; V9-Y26 HydrophobicContact CG1-CD2 4.36Å; V9-Y26 HydrophobicContact CG1-CE2 3.69Å
10I89.4Confident84.3Confident10 Ų1064.4 Ų64.45%0.05131%0.306CS..Hα-helixtrans-78.4-44.9-179.3-60.4156.3000111Q6 F7 K12 I18 D22 L23 Y26 W40Q6-I10 HydrophobicContact CB-CD1 4.41Å; Q6-I10 VanDerWaalsContact O-CD1 3.28Å; Q6-I10 WeakPolarHBondContact O-CD1 3.4Å; Q6-I10 WeakPolarHBondContact O-CG1 3.5Å; Q6-I10 PolarHBondContact O-N 3.21Å; F7-I10 PolarHBondContact O-N 3.3Å; F7-I10 VanDerWaalsContact O-N 3.14Å; I10-K12 PolarHBondContact O-N 3.4Å; I10-I18 HydrophobicContact CB-CD1 3.62Å; I10-I18 HydrophobicContact CB-CG1 4.28Å; I10-I18 HydrophobicContact CD1-CD1 4.09Å; I10-I18 HydrophobicContact CG1-CD1 4.47Å; I10-I18 HydrophobicContact CG2-CB 4.4Å; I10-I18 HydrophobicContact CG2-CD1 3.64Å; I10-I18 HydrophobicContact CG2-CG1 3.88Å; I10-I18 HydrophobicContact CG2-CG2 3.64Å; I10-D22 HydrophobicContact CG2-CB 3.98Å; I10-L23 HydrophobicContact CD1-CD2 4.02Å; I10-Y26 HydrophobicContact CD1-CD1 3.6Å; I10-Y26 HydrophobicContact CD1-CE1 3.87Å; I10-Y26 HydrophobicContact CD1-CG 4.04Å; I10-Y26 HydrophobicContact CG1-CD1 3.51Å; I10-Y26 HydrophobicContact CG1-CD2 3.75Å; I10-Y26 HydrophobicContact CG1-CE1 3.91Å; I10-Y26 HydrophobicContact CG1-CE2 4.17Å; I10-Y26 HydrophobicContact CG1-CG 3.4Å; I10-Y26 VanDerWaalsContact CG1-CG 3.4Å; I10-W40 HydrophobicContact CD1-CH2 3.69Å; I10-W40 HydrophobicContact CD1-CZ2 3.96Å; I10-W40 HydrophobicContact CD1-CZ3 4.06Å
11D86.6Confident84.4Confident2 Ų269.2 Ų69.21%0.01132%0.321CS..  trans-75.870.2178.2-176.38.2000111.1F7 N13 R14 D15 G16 I18 Y69F7-D11 HydrophobicContact CD1-CB 4.03Å; F7-D11 HydrophobicContact CE1-CB 3.73Å; F7-D11 HydrophobicContact CZ-CB 4.5Å; F7-D11 WeakPolarHBondContact O-CB 3.49Å; F7-D11 PolarHBondContact O-N 3.25Å; D11-N13 PolarHBondContact O-N 3.24Å; D11-N13 PolarHBondContact OD1-OD1 2.71Å; D11-R14 PolarHBondContact O-N 3.3Å; D11-R14 VanDerWaalsContact O-N 3.14Å; D11-R14 VanDerWaalsContact OD1-CA 3.3Å; D11-R14 WeakPolarHBondContact OD1-CA 3.33Å; D11-R14 PolarHBondContact OD1-N 3.38Å; D11-R14 WeakPolarHBondContact OD2-CA 3.41Å; D11-D15 PolarHBondContact OD1-N 3.18Å; D11-D15 PolarHBondContact OD2-N 3.17Å; D11-G16 VanDerWaalsContact OD2-CA 3.27Å; D11-G16 WeakPolarHBondContact OD2-CA 3.33Å; D11-G16 PolarHBondContact OD2-N 3.45Å; D11-I18 HydrophobicContact CB-CG1 4.1Å; D11-Y69 VanDerWaalsContact OD2-CE1 3.23Å; D11-Y69 WeakPolarHBondContact OD2-CE1 3.24Å; D11-Y69 PolarHBondContact OD2-OH 2.9Å; D11-Y69 VanDerWaalsContact OD2-OH 3.06Å
12K79.4Confident85.8Confident174 Ų17464 Ų6476%0.75730%0.297SS*.THydrogen-bonded Turntrans-64-28.4-177.3-67.2-176.1179.5-173.70113.1I10I10-K12 PolarHBondContact O-N 3.4Å
13N76Confident86.1Confident76 Ų7658.8 Ų58.841%0.40627%0.272SS..THydrogen-bonded Turntrans-92.42.4179.158.4-42.5000113D11 D15D11-N13 PolarHBondContact O-N 3.24Å; D11-N13 PolarHBondContact OD1-OD1 2.71Å; N13-D15 PolarHBondContact ND2-OD2 2.82Å; N13-D15 PolarHBondContact O-N 3.01Å
14R77.7Confident86Confident156 Ų15657.8 Ų57.859%0.58927%0.27SS*.  trans48.538.1176.7-58-177.9179.6172.72.9112.4D11 G16D11-R14 PolarHBondContact O-N 3.3Å; D11-R14 VanDerWaalsContact O-N 3.14Å; D11-R14 VanDerWaalsContact OD1-CA 3.3Å; D11-R14 WeakPolarHBondContact OD1-CA 3.33Å; D11-R14 PolarHBondContact OD1-N 3.38Å; D11-R14 WeakPolarHBondContact OD2-CA 3.41Å; R14-G16 VanDerWaalsContact C-N 3.31Å
15D78.8Confident86.1Confident42 Ų4262.3 Ų62.323%0.22529%0.289CS..SBendtrans-88.5-4.8179.774.60.1000113.7D11 N13 I17 R72D11-D15 PolarHBondContact OD1-N 3.18Å; D11-D15 PolarHBondContact OD2-N 3.17Å; N13-D15 PolarHBondContact ND2-OD2 2.82Å; N13-D15 PolarHBondContact O-N 3.01Å; D15-I17 VanDerWaalsContact C-N 3.28Å; D15-I17 WeakPolarHBondContact OD1-CA 3.34Å; D15-I17 WeakPolarHBondContact OD1-CB 3.41Å; D15-I17 PolarHBondContact OD1-N 2.82Å; D15-R72 VanDerWaalsContact CA-NH1 3.31Å
16G84.9Confident86.2Confident6 Ų658.4 Ų58.46%0.06227%0.27CS..SBendtrans77.215.9-178.100000112.1D11 R14 T53 I54D11-G16 VanDerWaalsContact OD2-CA 3.27Å; D11-G16 WeakPolarHBondContact OD2-CA 3.33Å; D11-G16 PolarHBondContact OD2-N 3.45Å; R14-G16 VanDerWaalsContact C-N 3.31Å; G16-T53 CarbonylContact O-C 3.49Å; G16-T53 WeakPolarHBondContact O-CA 3.47Å; G16-I54 PolarHBondContact O-N 2.83Å
17I87Confident86.2Confident55 Ų5557 Ų5728%0.28226%0.263SS..EExtended strand (participates in β ladder)trans-134.5125.8-175.5-52.5177000109.9D15 I51 T53D15-I17 VanDerWaalsContact C-N 3.28Å; D15-I17 WeakPolarHBondContact OD1-CA 3.34Å; D15-I17 WeakPolarHBondContact OD1-CB 3.41Å; D15-I17 PolarHBondContact OD1-N 2.82Å; I17-I51 HydrophobicContact CG2-CB 4.02Å; I17-I51 HydrophobicContact CG2-CD1 3.95Å; I17-I51 HydrophobicContact CG2-CG2 4.39Å; I17-T53 HydrophobicContact CG1-CG2 4.42Å
18I87.7Confident86.1Confident0 Ų063 Ų630%030%0.295CS..EExtended strand (participates in β ladder)trans-110.3120.3171.1-66.7176.4000108.6F7 I10 D11 D22 L23 W40 I52F7-I18 HydrophobicContact CB-CD1 4.17Å; F7-I18 HydrophobicContact CD1-CD1 4.04Å; F7-I18 HydrophobicContact CD2-CD1 3.16Å; F7-I18 HydrophobicContact CD2-CG1 3.97Å; F7-I18 HydrophobicContact CE1-CD1 4.18Å; F7-I18 HydrophobicContact CE1-CG1 4.23Å; F7-I18 HydrophobicContact CE2-CB 4.2Å; F7-I18 HydrophobicContact CE2-CD1 3.35Å; F7-I18 HydrophobicContact CE2-CG1 3.6Å; F7-I18 HydrophobicContact CG-CD1 3.54Å; F7-I18 HydrophobicContact CG-CG1 4.44Å; F7-I18 HydrophobicContact CZ-CD1 3.86Å; F7-I18 HydrophobicContact CZ-CG1 3.73Å; I10-I18 HydrophobicContact CB-CD1 3.62Å; I10-I18 HydrophobicContact CB-CG1 4.28Å; I10-I18 HydrophobicContact CD1-CD1 4.09Å; I10-I18 HydrophobicContact CG1-CD1 4.47Å; I10-I18 HydrophobicContact CG2-CB 4.4Å; I10-I18 HydrophobicContact CG2-CD1 3.64Å; I10-I18 HydrophobicContact CG2-CG1 3.88Å; I10-I18 HydrophobicContact CG2-CG2 3.64Å; D11-I18 HydrophobicContact CB-CG1 4.1Å; I18-D22 HydrophobicContact CG2-CB 4.13Å; I18-L23 HydrophobicContact CG2-CD1 4.38Å; I18-L23 HydrophobicContact CG2-CD2 3.87Å; I18-L23 HydrophobicContact CG2-CG 3.6Å; I18-W40 HydrophobicContact CD1-CZ3 4.36Å; I18-I52 HydrophobicContact CB-CB 4.48Å; I18-I52 PolarHBondContact N-O 3.26Å; I18-I52 PolarHBondContact O-N 2.98Å
19S88.1Confident86Confident34 Ų3464.5 Ų64.524%0.23831%0.307CS..EExtended strand (participates in β ladder)trans-82.1161.3171.4780000111.7R21 D22 L23S19-R21 PolarHBondContact O-N 2.86Å; S19-R21 VanDerWaalsContact O-N 3.11Å; S19-R21 PolarHBondContact OG-N 2.89Å; S19-D22 WeakPolarHBondContact CB-OD2 3.46Å; S19-D22 PolarHBondContact N-OD2 2.87Å; S19-D22 PolarHBondContact O-N 2.86Å; S19-D22 VanDerWaalsContact OG-CG 3.29Å; S19-D22 PolarHBondContact OG-N 3.48Å; S19-D22 PolarHBondContact OG-OD2 3.5Å; S19-L23 PolarHBondContact O-N 3.26Å; S19-L23 VanDerWaalsContact O-N 3.15Å
20R86.8Confident86Confident98 Ų9864.8 Ų64.837%0.3731%0.306SS..Hα-helixtrans-51.1-36169.9-168.4173.7179.8105.48.3112L23 F24 V37 D38 L41R20-L23 PolarHBondContact O-N 3.44Å; R20-F24 HydrophobicContact CG-CD2 3.89Å; R20-F24 HydrophobicContact CG-CE2 3.73Å; R20-F24 WeakPolarHBondContact O-CD2 3.29Å; R20-F24 PolarHBondContact O-N 3.37Å; R20-V37 HydrophobicContact CG-CG1 3.58Å; R20-D38 IonicContact CZ-OD1 2.61Å; R20-D38 IonicContact NH1-OD1 3.28Å; R20-D38 PolarHBondContact NH1-OD1 2.99Å; R20-D38 IonicContact NH2-OD1 2.94Å; R20-D38 PolarHBondContact NH2-OD1 3.14Å; R20-L41 HydrophobicContact CB-CD1 4.48Å; R20-L41 HydrophobicContact CG-CD1 4Å
21R86.5Confident85.8Confident165 Ų16567.7 Ų67.762%0.62334%0.338SS*.Hα-helixtrans-67.4-35.1178.5-171.4174.6-172.1150.20.5112.3S19 F24 K25S19-R21 PolarHBondContact O-N 2.86Å; S19-R21 VanDerWaalsContact O-N 3.11Å; S19-R21 PolarHBondContact OG-N 2.89Å; R21-F24 PolarHBondContact O-N 3.25Å; R21-K25 WeakPolarHBondContact O-CG 3.31Å; R21-K25 PolarHBondContact O-N 2.95Å
22D88.2Confident85.6Confident45 Ų4572.3 Ų72.324%0.24136%0.359CS..Hα-helixtrans-73.5-38.8179.9-56.4-46.6000110.7I10 I18 S19 K25 Y26I10-D22 HydrophobicContact CG2-CB 3.98Å; I18-D22 HydrophobicContact CG2-CB 4.13Å; S19-D22 WeakPolarHBondContact CB-OD2 3.46Å; S19-D22 PolarHBondContact N-OD2 2.87Å; S19-D22 PolarHBondContact O-N 2.86Å; S19-D22 VanDerWaalsContact OG-CG 3.29Å; S19-D22 PolarHBondContact OG-N 3.48Å; S19-D22 PolarHBondContact OG-OD2 3.5Å; D22-K25 PolarHBondContact O-N 3.45Å; D22-K25 IonicContact OD1-NZ 3.94Å; D22-Y26 WeakPolarHBondContact O-CB 3.38Å; D22-Y26 PolarHBondContact O-N 3.2Å
23L89.4Confident85.9Confident3 Ų368.8 Ų68.82%0.01635%0.349CS..Hα-helixtrans-59.2-46168.4-69.8171000112.3I10 I18 S19 R20 K25 Y26 A27 V37 W40 L41 I52I10-L23 HydrophobicContact CD1-CD2 4.02Å; I18-L23 HydrophobicContact CG2-CD1 4.38Å; I18-L23 HydrophobicContact CG2-CD2 3.87Å; I18-L23 HydrophobicContact CG2-CG 3.6Å; S19-L23 PolarHBondContact O-N 3.26Å; S19-L23 VanDerWaalsContact O-N 3.15Å; R20-L23 PolarHBondContact O-N 3.44Å; L23-K25 VanDerWaalsContact C-N 3.35Å; L23-K25 PolarHBondContact O-N 2.73Å; L23-Y26 PolarHBondContact O-N 3.12Å; L23-A27 WeakPolarHBondContact O-CB 3.2Å; L23-A27 PolarHBondContact O-N 3.24Å; L23-V37 HydrophobicContact CB-CB 4.47Å; L23-V37 HydrophobicContact CB-CG1 4.1Å; L23-V37 HydrophobicContact CB-CG2 4.07Å; L23-V37 HydrophobicContact CD1-CG1 4.23Å; L23-W40 HydrophobicContact CD1-CB 3.78Å; L23-W40 HydrophobicContact CD2-CB 3.99Å; L23-W40 HydrophobicContact CD2-CD2 3.65Å; L23-W40 HydrophobicContact CD2-CE3 3.66Å; L23-W40 HydrophobicContact CD2-CG 3.82Å; L23-W40 HydrophobicContact CD2-CZ3 4.36Å; L23-L41 HydrophobicContact CD1-CG 4.3Å; L23-I52 HydrophobicContact CD1-CD1 3.81Å
24F88Confident86.3Confident68 Ų6869 Ų6930%0.29835%0.349SS..Hα-helixtrans-57.7-47176.7-93.6-67.5000111.9R20 R21 Y26 L28 L34 V37R20-F24 HydrophobicContact CG-CD2 3.89Å; R20-F24 HydrophobicContact CG-CE2 3.73Å; R20-F24 WeakPolarHBondContact O-CD2 3.29Å; R20-F24 PolarHBondContact O-N 3.37Å; R21-F24 PolarHBondContact O-N 3.25Å; F24-Y26 VanDerWaalsContact C-N 3.31Å; F24-Y26 PolarHBondContact O-N 2.92Å; F24-L28 VanDerWaalsContact O-CG 3.32Å; F24-L28 WeakPolarHBondContact O-CG 3.42Å; F24-L28 PolarHBondContact O-N 3.37Å; F24-L28 VanDerWaalsContact O-N 3.14Å; F24-L34 HydrophobicContact CD1-CD2 3.63Å; F24-L34 HydrophobicContact CE1-CB 4.19Å; F24-L34 HydrophobicContact CE1-CD1 4.17Å; F24-L34 HydrophobicContact CE1-CD2 3.75Å; F24-L34 HydrophobicContact CE1-CG 4.26Å; F24-V37 HydrophobicContact CD1-CG2 3.86Å; F24-V37 HydrophobicContact CD2-CG1 4.13Å; F24-V37 HydrophobicContact CD2-CG2 4.2Å; F24-V37 HydrophobicContact CE1-CG2 4.01Å; F24-V37 HydrophobicContact CE2-CG1 3.95Å; F24-V37 HydrophobicContact CE2-CG2 4.36Å; F24-V37 HydrophobicContact CG-CG2 3.93Å; F24-V37 HydrophobicContact CZ-CB 4.46Å; F24-V37 HydrophobicContact CZ-CG1 4.32Å; F24-V37 HydrophobicContact CZ-CG2 4.25Å
25K88.7Confident86.7Confident117 Ų11763.6 Ų63.651%0.50934%0.335SS..Hα-helixtrans-61.9-40.5176.7-73.2172.3-174.9165.90111.6R21 D22 L23 S29R21-K25 WeakPolarHBondContact O-CG 3.31Å; R21-K25 PolarHBondContact O-N 2.95Å; D22-K25 PolarHBondContact O-N 3.45Å; D22-K25 IonicContact OD1-NZ 3.94Å; L23-K25 VanDerWaalsContact C-N 3.35Å; L23-K25 PolarHBondContact O-N 2.73Å; K25-S29 WeakPolarHBondContact O-CB 3.41Å; K25-S29 PolarHBondContact O-N 2.94Å
26Y90Very high87.2Confident18 Ų1862.2 Ų62.27%0.07133%0.328CS..Hα-helixtrans-65.9-49.6179.4-179.6-116.3000112.1V9 I10 D22 L23 F24 L28 S29 I30 M36V9-Y26 HydrophobicContact CB-CE2 4.46Å; V9-Y26 HydrophobicContact CG1-CD2 4.36Å; V9-Y26 HydrophobicContact CG1-CE2 3.69Å; I10-Y26 HydrophobicContact CD1-CD1 3.6Å; I10-Y26 HydrophobicContact CD1-CE1 3.87Å; I10-Y26 HydrophobicContact CD1-CG 4.04Å; I10-Y26 HydrophobicContact CG1-CD1 3.51Å; I10-Y26 HydrophobicContact CG1-CD2 3.75Å; I10-Y26 HydrophobicContact CG1-CE1 3.91Å; I10-Y26 HydrophobicContact CG1-CE2 4.17Å; I10-Y26 HydrophobicContact CG1-CG 3.4Å; I10-Y26 VanDerWaalsContact CG1-CG 3.4Å; D22-Y26 WeakPolarHBondContact O-CB 3.38Å; D22-Y26 PolarHBondContact O-N 3.2Å; L23-Y26 PolarHBondContact O-N 3.12Å; F24-Y26 VanDerWaalsContact C-N 3.31Å; F24-Y26 PolarHBondContact O-N 2.92Å; Y26-L28 VanDerWaalsContact C-N 3.3Å; Y26-L28 PolarHBondContact O-N 3Å; Y26-S29 WeakPolarHBondContact CA-OG 3.49Å; Y26-S29 WeakPolarHBondContact O-CA 3.4Å; Y26-S29 WeakPolarHBondContact O-CB 3.49Å; Y26-S29 PolarHBondContact O-N 3.39Å; Y26-S29 PolarHBondContact O-OG 3.43Å; Y26-I30 HydrophobicContact CD1-CD1 4.19Å; Y26-I30 HydrophobicContact CD2-CG2 4.36Å; Y26-I30 HydrophobicContact CE1-CD1 3.76Å; Y26-I30 HydrophobicContact CE2-CG2 3.86Å; Y26-I30 WeakPolarHBondContact O-CG1 3.41Å; Y26-I30 PolarHBondContact O-N 3.35Å; Y26-I30 VanDerWaalsContact O-N 3.13Å; Y26-M36 HydrophobicContact CD1-CE 3.82Å; Y26-M36 HydrophobicContact CD1-SD 4.46Å; Y26-M36 HydrophobicContact CE1-CE 3.6Å
27A88.9Confident87.3Confident0 Ų061.9 Ų61.90%033%0.325CS..Hα-helixtrans-54.4-46.1176.500000111.7L23 S29 I30 G31 E32 M36L23-A27 WeakPolarHBondContact O-CB 3.2Å; L23-A27 PolarHBondContact O-N 3.24Å; A27-S29 VanDerWaalsContact C-N 3.31Å; A27-S29 PolarHBondContact O-N 2.99Å; A27-I30 WeakPolarHBondContact O-CG1 3.28Å; A27-I30 PolarHBondContact O-N 3.49Å; A27-G31 PolarHBondContact O-N 2.99Å; A27-G31 VanDerWaalsContact O-N 3.1Å; A27-E32 PolarHBondContact O-N 3.03Å; A27-M36 HydrophobicContact CB-CB 4.47Å; A27-M36 HydrophobicContact CB-SD 4.21Å
28L88.2Confident87.3Confident125 Ų12563.3 Ų63.365%0.65433%0.333SS*.Hα-helixtrans-61.5-37.5174.5-70.2173.8000112.8F24 Y26 G31 L34F24-L28 VanDerWaalsContact O-CG 3.32Å; F24-L28 WeakPolarHBondContact O-CG 3.42Å; F24-L28 PolarHBondContact O-N 3.37Å; F24-L28 VanDerWaalsContact O-N 3.14Å; Y26-L28 VanDerWaalsContact C-N 3.3Å; Y26-L28 PolarHBondContact O-N 3Å; L28-G31 PolarHBondContact O-N 3.25Å; L28-L34 HydrophobicContact CD2-CD2 4.3Å
29S87.3Confident87.4Confident86 Ų8668.8 Ų68.860%0.60135%0.354SS*.Hα-helixtrans-70.5-29.7-177.473.30000114K25 Y26 A27K25-S29 WeakPolarHBondContact O-CB 3.41Å; K25-S29 PolarHBondContact O-N 2.94Å; Y26-S29 WeakPolarHBondContact CA-OG 3.49Å; Y26-S29 WeakPolarHBondContact O-CA 3.4Å; Y26-S29 WeakPolarHBondContact O-CB 3.49Å; Y26-S29 PolarHBondContact O-N 3.39Å; Y26-S29 PolarHBondContact O-OG 3.43Å; A27-S29 VanDerWaalsContact C-N 3.31Å; A27-S29 PolarHBondContact O-N 2.99Å
30I88.6Confident87.5Confident81 Ų8167.5 Ų67.542%0.41534%0.343SS..Hα-helixtrans-97.9-3.4178.465178.6000112.9Y26 A27 E32 M36Y26-I30 HydrophobicContact CD1-CD1 4.19Å; Y26-I30 HydrophobicContact CD2-CG2 4.36Å; Y26-I30 HydrophobicContact CE1-CD1 3.76Å; Y26-I30 HydrophobicContact CE2-CG2 3.86Å; Y26-I30 WeakPolarHBondContact O-CG1 3.41Å; Y26-I30 PolarHBondContact O-N 3.35Å; Y26-I30 VanDerWaalsContact O-N 3.13Å; A27-I30 WeakPolarHBondContact O-CG1 3.28Å; A27-I30 PolarHBondContact O-N 3.49Å; I30-E32 VanDerWaalsContact C-N 3.33Å; I30-E32 HydrophobicContact CD1-CB 3.87Å; I30-E32 HydrophobicContact CD1-CG 3.47Å; I30-E32 VanDerWaalsContact CD1-CG 3.47Å; I30-E32 HydrophobicContact CG1-CB 3.75Å; I30-E32 HydrophobicContact CG1-CG 3.66Å; I30-M36 HydrophobicContact CD1-CE 4.24Å; I30-M36 HydrophobicContact CD1-SD 4.05Å
31G84.8Confident87.6Confident70 Ų7063.7 Ų63.772%0.72233%0.33SS*.THydrogen-bonded Turntrans7422.1-177.800000114.2A27 L28A27-G31 PolarHBondContact O-N 2.99Å; A27-G31 VanDerWaalsContact O-N 3.1Å; L28-G31 PolarHBondContact O-N 3.25Å
32E82.6Confident87.7Confident100 Ų10066.7 Ų66.747%0.46734%0.342SS..  trans-83.9156.9176.8-85.1-74.6172.400111.7A27 I30 M36A27-E32 PolarHBondContact O-N 3.03Å; I30-E32 VanDerWaalsContact C-N 3.33Å; I30-E32 HydrophobicContact CD1-CB 3.87Å; I30-E32 HydrophobicContact CD1-CG 3.47Å; I30-E32 VanDerWaalsContact CD1-CG 3.47Å; I30-E32 HydrophobicContact CG1-CB 3.75Å; I30-E32 HydrophobicContact CG1-CG 3.66Å; E32-M36 HydrophobicContact CB-SD 4Å; E32-M36 HydrophobicContact CG-SD 4.3Å
33D85.5Confident87.8Confident100 Ų10068.1 Ų68.154%0.53535%0.349SS..  trans-69.8147.1178.6-178.435.4000111.7S35 M36D33-S35 PolarHBondContact O-N 2.88Å; D33-S35 VanDerWaalsContact O-N 3.08Å; D33-S35 WeakPolarHBondContact OD2-CB 3.38Å; D33-S35 PolarHBondContact OD2-N 3.46Å; D33-S35 PolarHBondContact OD2-OG 3.13Å; D33-M36 WeakPolarHBondContact O-CB 3.17Å; D33-M36 PolarHBondContact O-N 2.81Å
34L84.6Confident87.9Confident79 Ų7968 Ų6841%0.41435%0.348SS..THydrogen-bonded Turntrans-61.5-21.2-179.4-63.2-176.6000112.7F24 L28 M36 V37F24-L34 HydrophobicContact CD1-CD2 3.63Å; F24-L34 HydrophobicContact CE1-CB 4.19Å; F24-L34 HydrophobicContact CE1-CD1 4.17Å; F24-L34 HydrophobicContact CE1-CD2 3.75Å; F24-L34 HydrophobicContact CE1-CG 4.26Å; L28-L34 HydrophobicContact CD2-CD2 4.3Å; L34-M36 PolarHBondContact O-N 3.45Å; L34-M36 VanDerWaalsContact O-N 3.1Å; L34-V37 WeakPolarHBondContact O-CB 3.44Å; L34-V37 WeakPolarHBondContact O-CG2 3.25Å; L34-V37 PolarHBondContact O-N 3.4Å
35S87Confident87.8Confident43 Ų4365.2 Ų65.230%0.30134%0.336SS..Hα-helixtrans-57.8-18.9170.162.90000113.4D33 V37 D38 R39D33-S35 PolarHBondContact O-N 2.88Å; D33-S35 VanDerWaalsContact O-N 3.08Å; D33-S35 WeakPolarHBondContact OD2-CB 3.38Å; D33-S35 PolarHBondContact OD2-N 3.46Å; D33-S35 PolarHBondContact OD2-OG 3.13Å; S35-V37 PolarHBondContact O-N 2.88Å; S35-D38 PolarHBondContact O-N 3.46Å; S35-R39 WeakPolarHBondContact O-CG 3.42Å; S35-R39 PolarHBondContact O-N 3.49Å; S35-R39 PolarHBondContact O-NH1 3.49Å; S35-R39 PolarHBondContact OG-NH1 3.12Å
36M87.6Confident87.2Confident13 Ų1363.6 Ų63.66%0.06434%0.336CS..Hα-helixtrans-57.2-38.5171-177.3178.5-175.700112.1Y26 A27 I30 E32 D33 L34 R39 W40Y26-M36 HydrophobicContact CD1-CE 3.82Å; Y26-M36 HydrophobicContact CD1-SD 4.46Å; Y26-M36 HydrophobicContact CE1-CE 3.6Å; A27-M36 HydrophobicContact CB-CB 4.47Å; A27-M36 HydrophobicContact CB-SD 4.21Å; I30-M36 HydrophobicContact CD1-CE 4.24Å; I30-M36 HydrophobicContact CD1-SD 4.05Å; E32-M36 HydrophobicContact CB-SD 4Å; E32-M36 HydrophobicContact CG-SD 4.3Å; D33-M36 WeakPolarHBondContact O-CB 3.17Å; D33-M36 PolarHBondContact O-N 2.81Å; L34-M36 PolarHBondContact O-N 3.45Å; L34-M36 VanDerWaalsContact O-N 3.1Å; M36-R39 PolarHBondContact O-N 3.09Å; M36-W40 HydrophobicContact CE-CZ2 4.5Å; M36-W40 VanDerWaalsContact CE-NE1 3.31Å; M36-W40 VanDerWaalsContact O-CD1 3.29Å; M36-W40 PolarHBondContact O-N 3.34Å
37V87Confident86.7Confident0 Ų068.1 Ų68.10%036%0.362CS..Hα-helixtrans-62.9-46.7-179.3-177.60000110.4R20 L23 F24 L34 S35 R39 W40 L41R20-V37 HydrophobicContact CG-CG1 3.58Å; L23-V37 HydrophobicContact CB-CB 4.47Å; L23-V37 HydrophobicContact CB-CG1 4.1Å; L23-V37 HydrophobicContact CB-CG2 4.07Å; L23-V37 HydrophobicContact CD1-CG1 4.23Å; F24-V37 HydrophobicContact CD1-CG2 3.86Å; F24-V37 HydrophobicContact CD2-CG1 4.13Å; F24-V37 HydrophobicContact CD2-CG2 4.2Å; F24-V37 HydrophobicContact CE1-CG2 4.01Å; F24-V37 HydrophobicContact CE2-CG1 3.95Å; F24-V37 HydrophobicContact CE2-CG2 4.36Å; F24-V37 HydrophobicContact CG-CG2 3.93Å; F24-V37 HydrophobicContact CZ-CB 4.46Å; F24-V37 HydrophobicContact CZ-CG1 4.32Å; F24-V37 HydrophobicContact CZ-CG2 4.25Å; L34-V37 WeakPolarHBondContact O-CB 3.44Å; L34-V37 WeakPolarHBondContact O-CG2 3.25Å; L34-V37 PolarHBondContact O-N 3.4Å; S35-V37 PolarHBondContact O-N 2.88Å; V37-R39 VanDerWaalsContact C-N 3.35Å; V37-W40 PolarHBondContact O-N 2.82Å; V37-L41 HydrophobicContact CG1-CD1 4.15Å; V37-L41 WeakPolarHBondContact O-CG 3.29Å; V37-L41 PolarHBondContact O-N 2.92Å
38D87.4Confident86.1Confident84 Ų8475.2 Ų75.245%0.44940%0.4SS..Hα-helixtrans-68.3-35.4179.1-64.3-40.4000111.7R20 S35 R42R20-D38 IonicContact CZ-OD1 2.61Å; R20-D38 IonicContact NH1-OD1 3.28Å; R20-D38 PolarHBondContact NH1-OD1 2.99Å; R20-D38 IonicContact NH2-OD1 2.94Å; R20-D38 PolarHBondContact NH2-OD1 3.14Å; S35-D38 PolarHBondContact O-N 3.46Å; D38-R42 WeakPolarHBondContact O-CB 3.06Å; D38-R42 PolarHBondContact O-N 2.87Å
39R89.9Confident85.6Confident116 Ų11673.6 Ų73.644%0.43839%0.388SS..Hα-helixtrans-61.1-47.6172.1-72.5-168.2-61.2-84.17.3111.7S35 M36 V37 R42 L43S35-R39 WeakPolarHBondContact O-CG 3.42Å; S35-R39 PolarHBondContact O-N 3.49Å; S35-R39 PolarHBondContact O-NH1 3.49Å; S35-R39 PolarHBondContact OG-NH1 3.12Å; M36-R39 PolarHBondContact O-N 3.09Å; V37-R39 VanDerWaalsContact C-N 3.35Å; R39-R42 PolarHBondContact O-N 2.64Å; R39-L43 WeakPolarHBondContact O-CB 3.15Å; R39-L43 WeakPolarHBondContact O-CG 3.49Å; R39-L43 PolarHBondContact O-N 3.1Å
40W91.3Very high85.2Confident6 Ų671.2 Ų71.22%0.02338%0.377CS..Hα-helixtrans-62.8-47.5-179.2-92.470.5000112.2Y3 Q6 F7 I10 I18 L23 M36 V37 R42 L43 F44 I52Y3-W40 HydrophobicContact CD1-CH2 4.29Å; Y3-W40 AromaticContact CD1-CZ2 3.79Å; Y3-W40 HydrophobicContact CD1-CZ2 3.79Å; Y3-W40 HydrophobicContact CE1-CZ2 4.41Å; Q6-W40 HydrophobicContact CB-CH2 3.75Å; Q6-W40 HydrophobicContact CB-CZ2 3.61Å; Q6-W40 HydrophobicContact CG-CZ2 4.43Å; F7-W40 HydrophobicContact CB-CH2 4.5Å; F7-W40 HydrophobicContact CD2-CZ3 4.38Å; I10-W40 HydrophobicContact CD1-CH2 3.69Å; I10-W40 HydrophobicContact CD1-CZ2 3.96Å; I10-W40 HydrophobicContact CD1-CZ3 4.06Å; I18-W40 HydrophobicContact CD1-CZ3 4.36Å; L23-W40 HydrophobicContact CD1-CB 3.78Å; L23-W40 HydrophobicContact CD2-CB 3.99Å; L23-W40 HydrophobicContact CD2-CD2 3.65Å; L23-W40 HydrophobicContact CD2-CE3 3.66Å; L23-W40 HydrophobicContact CD2-CG 3.82Å; L23-W40 HydrophobicContact CD2-CZ3 4.36Å; M36-W40 HydrophobicContact CE-CZ2 4.5Å; M36-W40 VanDerWaalsContact CE-NE1 3.31Å; M36-W40 VanDerWaalsContact O-CD1 3.29Å; M36-W40 PolarHBondContact O-N 3.34Å; V37-W40 PolarHBondContact O-N 2.82Å; W40-R42 VanDerWaalsContact C-N 3.35Å; W40-R42 PolarHBondContact O-N 3.06Å; W40-L43 PolarHBondContact O-N 3.44Å; W40-F44 HydrophobicContact CD2-CD2 4.23Å; W40-F44 HydrophobicContact CD2-CE2 4.1Å; W40-F44 AromaticContact CE3-CD2 3.79Å; W40-F44 HydrophobicContact CE3-CD2 3.79Å; W40-F44 AromaticContact CE3-CE2 3.9Å; W40-F44 HydrophobicContact CE3-CE2 3.9Å; W40-F44 HydrophobicContact CZ3-CD2 4.32Å; W40-F44 HydrophobicContact CZ3-CE2 4.21Å; W40-F44 WeakPolarHBondContact O-CD2 3.34Å; W40-F44 PolarHBondContact O-N 3.38Å; W40-I52 HydrophobicContact CB-CD1 3.91Å; W40-I52 HydrophobicContact CE3-CD1 3.92Å
41L88.2Confident85.1Confident19 Ų1970.2 Ų70.210%0.09937%0.371CS..Hα-helixtrans-61.9-44.8177.3-71.3168.8000111.1R20 L23 V37 L43 F44 D45 I52R20-L41 HydrophobicContact CB-CD1 4.48Å; R20-L41 HydrophobicContact CG-CD1 4Å; L23-L41 HydrophobicContact CD1-CG 4.3Å; V37-L41 HydrophobicContact CG1-CD1 4.15Å; V37-L41 WeakPolarHBondContact O-CG 3.29Å; V37-L41 PolarHBondContact O-N 2.92Å; L41-L43 VanDerWaalsContact C-N 3.26Å; L41-L43 PolarHBondContact O-N 2.86Å; L41-F44 PolarHBondContact O-N 2.87Å; L41-D45 HydrophobicContact CB-CB 4.45Å; L41-D45 HydrophobicContact CD2-CB 4Å; L41-D45 WeakPolarHBondContact O-CA 3.22Å; L41-D45 VanDerWaalsContact O-CB 3.24Å; L41-D45 WeakPolarHBondContact O-CB 3.42Å; L41-D45 PolarHBondContact O-N 2.92Å; L41-I52 HydrophobicContact CD2-CD1 4.15Å; L41-I52 HydrophobicContact CD2-CG1 3.99Å
42R89.5Confident85.2Confident228 Ų22866.9 Ų66.986%0.8634%0.337SS*.Hα-helixtrans-61.9-32.1177.8-173.6175.8-179.3-172.80.5113.6D38 R39 W40D38-R42 WeakPolarHBondContact O-CB 3.06Å; D38-R42 PolarHBondContact O-N 2.87Å; R39-R42 PolarHBondContact O-N 2.64Å; W40-R42 VanDerWaalsContact C-N 3.35Å; W40-R42 PolarHBondContact O-N 3.06Å
43L89.6Confident85.6Confident74 Ų7463.2 Ų63.239%0.38732%0.321SS..Hα-helixtrans-82.3-39.8-178.1-73.5171000112.9Y3 R39 W40 L41 T60Y3-L43 HydrophobicContact CE1-CD1 4.28Å; Y3-L43 WeakPolarHBondContact OH-CD1 3.49Å; R39-L43 WeakPolarHBondContact O-CB 3.15Å; R39-L43 WeakPolarHBondContact O-CG 3.49Å; R39-L43 PolarHBondContact O-N 3.1Å; W40-L43 PolarHBondContact O-N 3.44Å; L41-L43 VanDerWaalsContact C-N 3.26Å; L41-L43 PolarHBondContact O-N 2.86Å; L43-T60 WeakPolarHBondContact O-CG2 3.46Å; L43-T60 PolarHBondContact O-OG1 3.33Å
44F91Very high85.7Confident2 Ų259 Ų591%0.00930%0.299CS..Hα-helixtrans-114.3-31.3-168.6-56.8-63.4000113.6Y3 W40 L41 T46 I52 D56 V57 T60 L61Y3-F44 AromaticContact CD1-CE2 3.56Å; Y3-F44 HydrophobicContact CD1-CE2 3.56Å; Y3-F44 AromaticContact CD1-CZ 3.54Å; Y3-F44 HydrophobicContact CD1-CZ 3.54Å; Y3-F44 HydrophobicContact CD2-CZ 4.06Å; Y3-F44 AromaticContact CE1-CE2 3.92Å; Y3-F44 HydrophobicContact CE1-CE2 3.92Å; Y3-F44 HydrophobicContact CE1-CZ 4.03Å; Y3-F44 HydrophobicContact CE2-CZ 4.5Å; Y3-F44 HydrophobicContact CG-CE2 4.08Å; Y3-F44 AromaticContact CG-CZ 3.55Å; Y3-F44 HydrophobicContact CG-CZ 3.55Å; W40-F44 HydrophobicContact CD2-CD2 4.23Å; W40-F44 HydrophobicContact CD2-CE2 4.1Å; W40-F44 AromaticContact CE3-CD2 3.79Å; W40-F44 HydrophobicContact CE3-CD2 3.79Å; W40-F44 AromaticContact CE3-CE2 3.9Å; W40-F44 HydrophobicContact CE3-CE2 3.9Å; W40-F44 HydrophobicContact CZ3-CD2 4.32Å; W40-F44 HydrophobicContact CZ3-CE2 4.21Å; W40-F44 WeakPolarHBondContact O-CD2 3.34Å; W40-F44 PolarHBondContact O-N 3.38Å; L41-F44 PolarHBondContact O-N 2.87Å; F44-T46 PolarHBondContact O-N 3.16Å; F44-I52 HydrophobicContact CB-CB 4.47Å; F44-I52 HydrophobicContact CB-CD1 4.15Å; F44-I52 HydrophobicContact CB-CG1 4.2Å; F44-I52 HydrophobicContact CB-CG2 3.5Å; F44-I52 VanDerWaalsContact CB-CG2 3.5Å; F44-I52 HydrophobicContact CD2-CD1 4.38Å; F44-I52 HydrophobicContact CG-CG2 4.24Å; F44-D56 WeakPolarHBondContact O-CB 3.46Å; F44-V57 HydrophobicContact CB-CG2 4.17Å; F44-V57 HydrophobicContact CD1-CB 4.2Å; F44-V57 HydrophobicContact CD1-CG1 4.36Å; F44-V57 HydrophobicContact CD1-CG2 3.89Å; F44-V57 HydrophobicContact CD2-CG2 4.24Å; F44-V57 HydrophobicContact CE1-CB 4.4Å; F44-V57 HydrophobicContact CE1-CG1 4.07Å; F44-V57 HydrophobicContact CE1-CG2 4.34Å; F44-V57 HydrophobicContact CG-CG2 3.84Å; F44-V57 HydrophobicContact CZ-CG1 4.41Å; F44-T60 HydrophobicContact CD1-CG2 3.84Å; F44-T60 HydrophobicContact CE1-CG2 3.81Å; F44-L61 HydrophobicContact CE1-CD2 4.33Å; F44-L61 HydrophobicContact CE1-CG 4.22Å
45D86.3Confident85.7Confident8 Ų858.4 Ų58.44%0.04329%0.294CS..  trans-82.765.4179.4-170.714.4000111.5L41 N47 D48 K49 G50 I52L41-D45 HydrophobicContact CB-CB 4.45Å; L41-D45 HydrophobicContact CD2-CB 4Å; L41-D45 WeakPolarHBondContact O-CA 3.22Å; L41-D45 VanDerWaalsContact O-CB 3.24Å; L41-D45 WeakPolarHBondContact O-CB 3.42Å; L41-D45 PolarHBondContact O-N 2.92Å; D45-N47 PolarHBondContact O-N 3.13Å; D45-D48 PolarHBondContact O-N 3.41Å; D45-D48 VanDerWaalsContact O-N 3.13Å; D45-D48 PolarHBondContact OD1-N 2.8Å; D45-K49 VanDerWaalsContact CG-N 3.29Å; D45-K49 WeakPolarHBondContact OD1-CB 3.34Å; D45-K49 PolarHBondContact OD1-N 3.26Å; D45-K49 PolarHBondContact OD2-N 2.91Å; D45-G50 WeakPolarHBondContact OD2-CA 3.29Å; D45-G50 PolarHBondContact OD2-N 3.01Å; D45-I52 HydrophobicContact CB-CG1 4.25Å
46T76.5Confident85.8Confident83 Ų8356.4 Ų56.451%0.50928%0.28SS..THydrogen-bonded Turntrans-59.4-17.9-176.749.90000114.9F44F44-T46 PolarHBondContact O-N 3.16Å
47N78.6Confident85.9Confident113 Ų11355.8 Ų55.860%0.60428%0.277SS*.THydrogen-bonded Turntrans-111.912.5-177.3-68.7-11.4000112.6D45 K49D45-N47 PolarHBondContact O-N 3.13Å; N47-K49 HydrophobicContact CB-CD 4.14Å; N47-K49 HydrophobicContact CB-CG 3.86Å; N47-K49 PolarHBondContact O-N 3.48Å; N47-K49 VanDerWaalsContact O-N 3.12Å
48D76.2Confident86Confident150 Ų15056.1 Ų56.180%0.80228%0.279SS*.  trans49.337.9-177.6-66.1-43.3000113.2D45 G50D45-D48 PolarHBondContact O-N 3.41Å; D45-D48 VanDerWaalsContact O-N 3.13Å; D45-D48 PolarHBondContact OD1-N 2.8Å; D48-G50 PolarHBondContact O-N 3.15Å
49K78.9Confident86Confident91 Ų9158.9 Ų58.940%0.39628%0.283SS..  trans-70.7-15-179.8-65174.2-67.3-177.50112.4D45 N47 I51 D56D45-K49 VanDerWaalsContact CG-N 3.29Å; D45-K49 WeakPolarHBondContact OD1-CB 3.34Å; D45-K49 PolarHBondContact OD1-N 3.26Å; D45-K49 PolarHBondContact OD2-N 2.91Å; N47-K49 HydrophobicContact CB-CD 4.14Å; N47-K49 HydrophobicContact CB-CG 3.86Å; N47-K49 PolarHBondContact O-N 3.48Å; N47-K49 VanDerWaalsContact O-N 3.12Å; K49-I51 HydrophobicContact CB-CG1 3.86Å; K49-I51 PolarHBondContact O-N 3.21Å; K49-D56 WeakPolarHBondContact CE-OD2 3.24Å; K49-D56 IonicContact NZ-OD1 3.38Å; K49-D56 PolarHBondContact NZ-OD1 3.34Å; K49-D56 IonicContact NZ-OD2 3.39Å; K49-D56 PolarHBondContact NZ-OD2 2.99Å
50G78.9Confident86Confident36 Ų3656.5 Ų56.537%0.37128%0.281SS..SBendtrans75.43.6-170.900000113.9D45 D48D45-G50 WeakPolarHBondContact OD2-CA 3.29Å; D45-G50 PolarHBondContact OD2-N 3.01Å; D48-G50 PolarHBondContact O-N 3.15Å
51I86.3Confident86Confident59 Ų5959 Ų5930%0.30330%0.295SS..EExtended strand (participates in β ladder)trans-136.5146-179.860.5168.4000109.7I17 K49I17-I51 HydrophobicContact CG2-CB 4.02Å; I17-I51 HydrophobicContact CG2-CD1 3.95Å; I17-I51 HydrophobicContact CG2-CG2 4.39Å; K49-I51 HydrophobicContact CB-CG1 3.86Å; K49-I51 PolarHBondContact O-N 3.21Å
52I86.7Confident86Confident0 Ų061.4 Ų61.40%033%0.325CS..EExtended strand (participates in β ladder)trans-109.4119.4177.6-59.6173.4000107.7F7 I18 L23 W40 L41 F44 D45 V57F7-I52 HydrophobicContact CE2-CG2 4.15Å; I18-I52 HydrophobicContact CB-CB 4.48Å; I18-I52 PolarHBondContact N-O 3.26Å; I18-I52 PolarHBondContact O-N 2.98Å; L23-I52 HydrophobicContact CD1-CD1 3.81Å; W40-I52 HydrophobicContact CB-CD1 3.91Å; W40-I52 HydrophobicContact CE3-CD1 3.92Å; L41-I52 HydrophobicContact CD2-CD1 4.15Å; L41-I52 HydrophobicContact CD2-CG1 3.99Å; F44-I52 HydrophobicContact CB-CB 4.47Å; F44-I52 HydrophobicContact CB-CD1 4.15Å; F44-I52 HydrophobicContact CB-CG1 4.2Å; F44-I52 HydrophobicContact CB-CG2 3.5Å; F44-I52 VanDerWaalsContact CB-CG2 3.5Å; F44-I52 HydrophobicContact CD2-CD1 4.38Å; F44-I52 HydrophobicContact CG-CG2 4.24Å; D45-I52 HydrophobicContact CB-CG1 4.25Å; I52-V57 HydrophobicContact CG2-CG2 3.48Å; I52-V57 VanDerWaalsContact CG2-CG2 3.48Å
53T89.4Confident85.9Confident23 Ų2352.9 Ų52.914%0.14130%0.297CS..EExtended strand (participates in β ladder)trans-91.9158.6173.771.10000111.2G16 I17 E55 D56 V57G16-T53 CarbonylContact O-C 3.49Å; G16-T53 WeakPolarHBondContact O-CA 3.47Å; I17-T53 HydrophobicContact CG1-CG2 4.42Å; T53-E55 PolarHBondContact O-N 3.18Å; T53-D56 PolarHBondContact N-OD2 2.9Å; T53-D56 WeakPolarHBondContact O-CB 3.32Å; T53-D56 PolarHBondContact O-N 3.02Å; T53-D56 PolarHBondContact OG1-N 3.35Å; T53-D56 PolarHBondContact OG1-OD2 2.89Å; T53-D56 VanDerWaalsContact OG1-OD2 3.05Å; T53-V57 PolarHBondContact O-N 3.01Å; T53-V57 VanDerWaalsContact O-N 3.13Å
54I87.9Confident85.7Confident11 Ų1154.4 Ų54.46%0.05631%0.312CS..Hα-helixtrans-57.7-35.7173.2-174.563.9000111.5L4 F7 G16 D56 V57 S58 P65 Y69L4-I54 HydrophobicContact CD2-CD1 3.68Å; F7-I54 HydrophobicContact CD1-CD1 3.72Å; F7-I54 HydrophobicContact CE1-CB 3.87Å; F7-I54 HydrophobicContact CE1-CD1 3.95Å; F7-I54 HydrophobicContact CE1-CG1 4.44Å; F7-I54 HydrophobicContact CG-CD1 4.07Å; F7-I54 HydrophobicContact CZ-CB 3.9Å; F7-I54 HydrophobicContact CZ-CD1 4.47Å; G16-I54 PolarHBondContact O-N 2.83Å; I54-D56 VanDerWaalsContact C-N 3.32Å; I54-D56 PolarHBondContact O-N 2.84Å; I54-V57 PolarHBondContact O-N 3.47Å; I54-S58 VanDerWaalsContact O-CB 3.29Å; I54-S58 WeakPolarHBondContact O-CB 3.42Å; I54-S58 PolarHBondContact O-N 2.57Å; I54-S58 PolarHBondContact O-OG 3.14Å; I54-P65 HydrophobicContact CG1-CB 4.24Å; I54-Y69 HydrophobicContact CB-CD1 4.44Å; I54-Y69 HydrophobicContact CB-CD2 4.29Å; I54-Y69 HydrophobicContact CB-CG 4.23Å; I54-Y69 HydrophobicContact CD1-CD2 3.95Å; I54-Y69 HydrophobicContact CD1-CE2 3.83Å; I54-Y69 HydrophobicContact CG1-CD2 3.57Å; I54-Y69 HydrophobicContact CG1-CE2 3.91Å; I54-Y69 HydrophobicContact CG1-CG 3.91Å; I54-Y69 HydrophobicContact CG2-CD1 4.12Å; I54-Y69 HydrophobicContact CG2-CD2 4.48Å; I54-Y69 HydrophobicContact CG2-CG 3.95Å
55E86.1Confident85.2Confident67 Ų6756 Ų5631%0.31332%0.322SS..Hα-helixtrans-62.3-39.6175.2-70.3171.6-141.300112T53 R59 Y73T53-E55 PolarHBondContact O-N 3.18Å; E55-R59 WeakPolarHBondContact O-CB 3.49Å; E55-R59 PolarHBondContact O-N 3.32Å; E55-Y73 WeakPolarHBondContact OE1-CD2 3.5Å; E55-Y73 WeakPolarHBondContact OE1-CE2 3.26Å
56D87.9Confident84.9Confident2 Ų257 Ų571%0.01133%0.33CS..Hα-helixtrans-65.6-42.5177.6-63.2-33.5000110.7F44 K49 T53 I54 R59 T60F44-D56 WeakPolarHBondContact O-CB 3.46Å; K49-D56 WeakPolarHBondContact CE-OD2 3.24Å; K49-D56 IonicContact NZ-OD1 3.38Å; K49-D56 PolarHBondContact NZ-OD1 3.34Å; K49-D56 IonicContact NZ-OD2 3.39Å; K49-D56 PolarHBondContact NZ-OD2 2.99Å; T53-D56 PolarHBondContact N-OD2 2.9Å; T53-D56 WeakPolarHBondContact O-CB 3.32Å; T53-D56 PolarHBondContact O-N 3.02Å; T53-D56 PolarHBondContact OG1-N 3.35Å; T53-D56 PolarHBondContact OG1-OD2 2.89Å; T53-D56 VanDerWaalsContact OG1-OD2 3.05Å; I54-D56 VanDerWaalsContact C-N 3.32Å; I54-D56 PolarHBondContact O-N 2.84Å; D56-R59 PolarHBondContact O-N 2.86Å; D56-R59 IonicContact OD1-CZ 2.67Å; D56-R59 IonicContact OD1-NH1 3.77Å; D56-R59 PolarHBondContact OD1-NH1 2.91Å; D56-T60 WeakPolarHBondContact O-CB 3.48Å; D56-T60 PolarHBondContact O-N 2.93Å; D56-T60 PolarHBondContact O-OG1 3.49Å; D56-T60 VanDerWaalsContact O-OG1 3.05Å
57V90.3Very high84.8Confident0 Ų061.6 Ų61.60%034%0.343CS..Hα-helixtrans-63.9-50.7176178.50000111.4L4 F7 F44 I52 T53 I54 R59 T60 L61L4-V57 HydrophobicContact CD2-CG1 3.96Å; L4-V57 HydrophobicContact CG-CG1 4.41Å; F7-V57 HydrophobicContact CD2-CB 4.39Å; F7-V57 HydrophobicContact CD2-CG2 3.6Å; F7-V57 HydrophobicContact CE2-CG2 3.97Å; F44-V57 HydrophobicContact CB-CG2 4.17Å; F44-V57 HydrophobicContact CD1-CB 4.2Å; F44-V57 HydrophobicContact CD1-CG1 4.36Å; F44-V57 HydrophobicContact CD1-CG2 3.89Å; F44-V57 HydrophobicContact CD2-CG2 4.24Å; F44-V57 HydrophobicContact CE1-CB 4.4Å; F44-V57 HydrophobicContact CE1-CG1 4.07Å; F44-V57 HydrophobicContact CE1-CG2 4.34Å; F44-V57 HydrophobicContact CG-CG2 3.84Å; F44-V57 HydrophobicContact CZ-CG1 4.41Å; I52-V57 HydrophobicContact CG2-CG2 3.48Å; I52-V57 VanDerWaalsContact CG2-CG2 3.48Å; T53-V57 PolarHBondContact O-N 3.01Å; T53-V57 VanDerWaalsContact O-N 3.13Å; I54-V57 PolarHBondContact O-N 3.47Å; V57-R59 VanDerWaalsContact C-N 3.32Å; V57-R59 PolarHBondContact O-N 3.48Å; V57-T60 PolarHBondContact O-N 2.94Å; V57-L61 HydrophobicContact CG1-CD1 3.56Å; V57-L61 HydrophobicContact CG1-CG 4.3Å; V57-L61 WeakPolarHBondContact O-CB 3.49Å; V57-L61 VanDerWaalsContact O-CG 3.23Å; V57-L61 WeakPolarHBondContact O-CG 3.36Å; V57-L61 PolarHBondContact O-N 3.47Å
58S89.3Confident84.5Confident6 Ų660.9 Ų60.94%0.04233%0.334CS..Hα-helixtrans-58.2-43177-74.80000112.3I54 L61 G62 V63 P65I54-S58 VanDerWaalsContact O-CB 3.29Å; I54-S58 WeakPolarHBondContact O-CB 3.42Å; I54-S58 PolarHBondContact O-N 2.57Å; I54-S58 PolarHBondContact O-OG 3.14Å; S58-L61 PolarHBondContact O-N 2.93Å; S58-G62 PolarHBondContact O-N 3.26Å; S58-V63 CarbonylContact C-O 3.5Å; S58-V63 WeakPolarHBondContact CA-O 3.3Å; S58-V63 WeakPolarHBondContact CB-O 3.49Å; S58-V63 PolarHBondContact O-N 3.21Å; S58-V63 VanDerWaalsContact O-N 3.14Å; S58-V63 VanDerWaalsContact O-O 3.13Å; S58-P65 WeakPolarHBondContact OG-CA 2.97Å
59R87.5Confident84.3Confident143 Ų14354.4 Ų54.454%0.5430%0.298SS..Hα-helixtrans-63.2-48.3177-174.5-171.9-58.21237.3111.5E55 D56 V57 L61 G62E55-R59 WeakPolarHBondContact O-CB 3.49Å; E55-R59 PolarHBondContact O-N 3.32Å; D56-R59 PolarHBondContact O-N 2.86Å; D56-R59 IonicContact OD1-CZ 2.67Å; D56-R59 IonicContact OD1-NH1 3.77Å; D56-R59 PolarHBondContact OD1-NH1 2.91Å; V57-R59 VanDerWaalsContact C-N 3.32Å; V57-R59 PolarHBondContact O-N 3.48Å; R59-L61 VanDerWaalsContact C-N 3.31Å; R59-L61 PolarHBondContact O-N 3.35Å; R59-G62 PolarHBondContact O-N 3.36Å
60T90.1Very high83.4Confident65 Ų6552.8 Ų52.840%0.39929%0.294SS..Hα-helixtrans-64.5-36.2179.9-64.60000112L43 F44 D56 V57L43-T60 WeakPolarHBondContact O-CG2 3.46Å; L43-T60 PolarHBondContact O-OG1 3.33Å; F44-T60 HydrophobicContact CD1-CG2 3.84Å; F44-T60 HydrophobicContact CE1-CG2 3.81Å; D56-T60 WeakPolarHBondContact O-CB 3.48Å; D56-T60 PolarHBondContact O-N 2.93Å; D56-T60 PolarHBondContact O-OG1 3.49Å; D56-T60 VanDerWaalsContact O-OG1 3.05Å; V57-T60 PolarHBondContact O-N 2.94Å
61L90.5Very high82.3Confident59 Ų5956.8 Ų56.831%0.30930%0.303SS..Hα-helixtrans-84.9-12.4-179.7-64.6175.3000113.6Y3 L4 F44 V57 S58 R59 V63Y3-L61 HydrophobicContact CD2-CD2 4.02Å; L4-L61 HydrophobicContact CG-CD1 3.91Å; F44-L61 HydrophobicContact CE1-CD2 4.33Å; F44-L61 HydrophobicContact CE1-CG 4.22Å; V57-L61 HydrophobicContact CG1-CD1 3.56Å; V57-L61 HydrophobicContact CG1-CG 4.3Å; V57-L61 WeakPolarHBondContact O-CB 3.49Å; V57-L61 VanDerWaalsContact O-CG 3.23Å; V57-L61 WeakPolarHBondContact O-CG 3.36Å; V57-L61 PolarHBondContact O-N 3.47Å; S58-L61 PolarHBondContact O-N 2.93Å; R59-L61 VanDerWaalsContact C-N 3.31Å; R59-L61 PolarHBondContact O-N 3.35Å; L61-V63 VanDerWaalsContact C-N 3.25Å; L61-V63 HydrophobicContact CB-CG2 3.63Å; L61-V63 HydrophobicContact CD1-CG2 4.31Å; L61-V63 PolarHBondContact O-N 3.05Å
62G87.7Confident80.7Confident70 Ų7057.5 Ų57.572%0.72230%0.302SS*.THydrogen-bonded Turntrans68.722.6-177.400000114S58 R59S58-G62 PolarHBondContact O-N 3.26Å; R59-G62 PolarHBondContact O-N 3.36Å
63V88.5Confident78.9Confident48 Ų4862.2 Ų62.229%0.29132%0.321SS..  trans-118145.8-178.1-66.40000110.1L4 S58 L61L4-V63 HydrophobicContact CD1-CB 4.44Å; L4-V63 HydrophobicContact CD1-CG2 3.46Å; L4-V63 VanDerWaalsContact CD1-CG2 3.46Å; L4-V63 HydrophobicContact CG-CG2 4.29Å; S58-V63 CarbonylContact C-O 3.5Å; S58-V63 WeakPolarHBondContact CA-O 3.3Å; S58-V63 WeakPolarHBondContact CB-O 3.49Å; S58-V63 PolarHBondContact O-N 3.21Å; S58-V63 VanDerWaalsContact O-N 3.14Å; S58-V63 VanDerWaalsContact O-O 3.13Å; L61-V63 VanDerWaalsContact C-N 3.25Å; L61-V63 HydrophobicContact CB-CG2 3.63Å; L61-V63 HydrophobicContact CD1-CG2 4.31Å; L61-V63 PolarHBondContact O-N 3.05Å
64P83.9Confident76.9Confident107 Ų10764.6 Ų64.670%0.69533%0.332SS*.PPolyproline II helixtrans-62.9147.6177.326.9-34.1000110.8
65P80.8Confident75.1Confident34 Ų3471.9 Ų71.922%0.22136%0.359CS..PPolyproline II helixtrans-55.8147.4170.4-21.632000111.5I54 S58 K67I54-P65 HydrophobicContact CG1-CB 4.24Å; S58-P65 WeakPolarHBondContact OG-CA 2.97Å; P65-K67 PolarHBondContact O-N 2.8Å
66P80.7Confident73Confident31 Ų3176.5 Ų76.520%0.20137%0.374CS..PPolyproline II helixtrans-56.3138.4168.4-23.832.5000111.1L4 F68 Y69L4-P66 HydrophobicContact CD2-CG 4.31Å; P66-F68 HydrophobicContact CB-CD1 3.76Å; P66-F68 HydrophobicContact CB-CE1 3.27Å; P66-F68 HydrophobicContact CB-CZ 3.78Å; P66-F68 HydrophobicContact CG-CE1 4.23Å; P66-F68 HydrophobicContact CG-CZ 4.36Å; P66-F68 PolarHBondContact O-N 3.32Å; P66-Y69 HydrophobicContact CB-CD2 4Å; P66-Y69 HydrophobicContact CB-CE2 4.42Å; P66-Y69 HydrophobicContact CG-CD2 4.07Å; P66-Y69 HydrophobicContact CG-CE2 4.26Å; P66-Y69 PolarHBondContact O-N 3.17Å
67K74Confident71Confident179 Ų17981.4 Ų81.478%0.77840%0.4SS*.Hα-helixtrans-49.5-34.9-171.1-65.8-176.4178-179.30115.1P65 Y69 D70P65-K67 PolarHBondContact O-N 2.8Å; K67-Y69 PolarHBondContact O-N 3.25Å; K67-D70 PolarHBondContact O-N 2.61Å
68F72.3Confident68.9Low97 Ų9787.4 Ų87.443%0.42543%0.432SS..Hα-helixtrans-68.9-19.4-178.257.7-90.5000113.4T8 P66T8-F68 HydrophobicContact CG2-CE2 4.47Å; T8-F68 HydrophobicContact CG2-CZ 3.66Å; P66-F68 HydrophobicContact CB-CD1 3.76Å; P66-F68 HydrophobicContact CB-CE1 3.27Å; P66-F68 HydrophobicContact CB-CZ 3.78Å; P66-F68 HydrophobicContact CG-CE1 4.23Å; P66-F68 HydrophobicContact CG-CZ 4.36Å; P66-F68 PolarHBondContact O-N 3.32Å
69Y72.7Confident66.4Low14 Ų1489.5 Ų89.56%0.05546%0.455CS..Hα-helixtrans-84.4-29.3172.2-67.2-67000112.9F7 T8 D11 I54 P66 K67 E71 R72 Y73F7-Y69 HydrophobicContact CD1-CE2 4.43Å; F7-Y69 HydrophobicContact CE1-CE1 4.41Å; F7-Y69 HydrophobicContact CE1-CE2 4.49Å; F7-Y69 AromaticContact CE1-CZ 3.94Å; T8-Y69 HydrophobicContact CG2-CE2 4.27Å; D11-Y69 VanDerWaalsContact OD2-CE1 3.23Å; D11-Y69 WeakPolarHBondContact OD2-CE1 3.24Å; D11-Y69 PolarHBondContact OD2-OH 2.9Å; D11-Y69 VanDerWaalsContact OD2-OH 3.06Å; I54-Y69 HydrophobicContact CB-CD1 4.44Å; I54-Y69 HydrophobicContact CB-CD2 4.29Å; I54-Y69 HydrophobicContact CB-CG 4.23Å; I54-Y69 HydrophobicContact CD1-CD2 3.95Å; I54-Y69 HydrophobicContact CD1-CE2 3.83Å; I54-Y69 HydrophobicContact CG1-CD2 3.57Å; I54-Y69 HydrophobicContact CG1-CE2 3.91Å; I54-Y69 HydrophobicContact CG1-CG 3.91Å; I54-Y69 HydrophobicContact CG2-CD1 4.12Å; I54-Y69 HydrophobicContact CG2-CD2 4.48Å; I54-Y69 HydrophobicContact CG2-CG 3.95Å; P66-Y69 HydrophobicContact CB-CD2 4Å; P66-Y69 HydrophobicContact CB-CE2 4.42Å; P66-Y69 HydrophobicContact CG-CD2 4.07Å; P66-Y69 HydrophobicContact CG-CE2 4.26Å; P66-Y69 PolarHBondContact O-N 3.17Å; K67-Y69 PolarHBondContact O-N 3.25Å; Y69-E71 VanDerWaalsContact C-N 3.28Å; Y69-E71 PolarHBondContact O-N 3.38Å; Y69-R72 PolarHBondContact O-N 2.67Å; Y69-Y73 PolarHBondContact O-N 2.9Å
70D60.4Low64Low58 Ų5891.5 Ų91.531%0.3147%0.467SS..Hα-helixtrans-62.8-34.1-179.9-71.4-27.3000112.3K67 R72 Y73 N74K67-D70 PolarHBondContact O-N 2.61Å; D70-R72 VanDerWaalsContact C-N 3.3Å; D70-R72 PolarHBondContact O-N 3.26Å; D70-Y73 PolarHBondContact O-N 2.84Å; D70-N74 WeakPolarHBondContact O-CB 3.18Å; D70-N74 PolarHBondContact O-N 3.06Å; D70-N74 PolarHBondContact O-ND2 3.11Å
71E56Low61.5Low120 Ų12098.4 Ų98.456%0.56149%0.492SS*.Hα-helixtrans-65.2-32.7-177.8-69-179.2-174.800112.8Y69 R75Y69-E71 VanDerWaalsContact C-N 3.28Å; Y69-E71 PolarHBondContact O-N 3.38Å; E71-R75 WeakPolarHBondContact O-CG 3.31Å; E71-R75 PolarHBondContact O-N 3.43Å
72R51.4Low58.9Low74 Ų74103.8 Ų103.828%0.27952%0.516SS..Hα-helixtrans-81.7-35.4-179-162.8174.4-169.5171.2-0.5112D15 Y69 D70 R75 R76D15-R72 VanDerWaalsContact CA-NH1 3.31Å; Y69-R72 PolarHBondContact O-N 2.67Å; D70-R72 VanDerWaalsContact C-N 3.3Å; D70-R72 PolarHBondContact O-N 3.26Å; R72-R75 PolarHBondContact O-N 3.47Å; R72-R76 PolarHBondContact O-N 2.82Å
73Y49.8Very low56.3Low98 Ų98102.7 Ų102.738%0.38450%0.497SS..Hα-helixtrans-66-45175.7-175.9-108.1000111.7E55 Y69 D70 R75 R76 L77E55-Y73 WeakPolarHBondContact OE1-CD2 3.5Å; E55-Y73 WeakPolarHBondContact OE1-CE2 3.26Å; Y69-Y73 PolarHBondContact O-N 2.9Å; D70-Y73 PolarHBondContact O-N 2.84Å; Y73-R75 VanDerWaalsContact C-N 3.29Å; Y73-R75 PolarHBondContact O-N 3.12Å; Y73-R76 WeakPolarHBondContact O-CB 3.5Å; Y73-R76 PolarHBondContact O-N 3.07Å; Y73-L77 HydrophobicContact CD1-CD1 3.87Å; Y73-L77 HydrophobicContact CD1-CG 4.35Å; Y73-L77 HydrophobicContact CE1-CD1 3.14Å; Y73-L77 HydrophobicContact CE1-CG 3.94Å; Y73-L77 HydrophobicContact CE2-CD1 4.27Å; Y73-L77 HydrophobicContact CE2-CG 4.38Å; Y73-L77 VanDerWaalsContact CZ-CD1 3.4Å; Y73-L77 PolarHBondContact O-N 3.33Å
74N47Very low54.2Low73 Ų73104.2 Ų104.239%0.3951%0.51SS..Hα-helixtrans-64.8-31178.4-74.2-52.1000112.9D70 R76 L77 N78D70-N74 WeakPolarHBondContact O-CB 3.18Å; D70-N74 PolarHBondContact O-N 3.06Å; D70-N74 PolarHBondContact O-ND2 3.11Å; N74-R76 VanDerWaalsContact C-N 3.29Å; N74-R76 PolarHBondContact O-N 3.43Å; N74-L77 PolarHBondContact O-N 3.24Å; N74-N78 VanDerWaalsContact O-CB 3.23Å; N74-N78 WeakPolarHBondContact O-CB 3.39Å; N74-N78 PolarHBondContact O-N 3.13Å
75R49.1Very low52.2Low165 Ų165104.1 Ų104.162%0.62350%0.503SS*.Hα-helixtrans-64.8-32.7171.3-74.7-169.5-62.2-105.16.6112.8E71 R72 Y73E71-R75 WeakPolarHBondContact O-CG 3.31Å; E71-R75 PolarHBondContact O-N 3.43Å; R72-R75 PolarHBondContact O-N 3.47Å; Y73-R75 VanDerWaalsContact C-N 3.29Å; Y73-R75 PolarHBondContact O-N 3.12Å
76R43.6Very low50.6Low163 Ų163107.8 Ų107.862%0.61552%0.521SS*.Hα-helixtrans-79.1-33.4178.2-68179.3178164.20112.5R72 Y73 N74R72-R76 PolarHBondContact O-N 2.82Å; Y73-R76 WeakPolarHBondContact O-CB 3.5Å; Y73-R76 PolarHBondContact O-N 3.07Å; N74-R76 VanDerWaalsContact C-N 3.29Å; N74-R76 PolarHBondContact O-N 3.43Å
77L45.5Very low49.2Very low105 Ų105111.6 Ų111.655%0.5554%0.543SS..Hα-helixtrans-86.7-36178.8-73.6-169.4000114.7Y73 N74Y73-L77 HydrophobicContact CD1-CD1 3.87Å; Y73-L77 HydrophobicContact CD1-CG 4.35Å; Y73-L77 HydrophobicContact CE1-CD1 3.14Å; Y73-L77 HydrophobicContact CE1-CG 3.94Å; Y73-L77 HydrophobicContact CE2-CD1 4.27Å; Y73-L77 HydrophobicContact CE2-CG 4.38Å; Y73-L77 VanDerWaalsContact CZ-CD1 3.4Å; Y73-L77 PolarHBondContact O-N 3.33Å; N74-L77 PolarHBondContact O-N 3.24Å
78N45.1Very low47.6Very low126 Ų126108.5 Ų108.567%0.67453%0.53SS*.SBendtrans-88-5.3-178.3-66.7-17.2000113.4N74 K80N74-N78 VanDerWaalsContact O-CB 3.23Å; N74-N78 WeakPolarHBondContact O-CB 3.39Å; N74-N78 PolarHBondContact O-N 3.13Å; N78-K80 PolarHBondContact O-N 3.37Å
79G38.7Very low46.3Very low51 Ų51109.4 Ų109.453%0.52654%0.535SS..SBendtrans-68.884.6163.100000109.3F81G79-F81 PolarHBondContact O-N 3.03Å
80K36.3Very low45.3Very low185 Ų185114.9 Ų114.980%0.80456%0.562SS**  trans-38.5131.2159.3-93.1175.5173.6176.10108.1N78 E82N78-K80 PolarHBondContact O-N 3.37Å; K80-E82 PolarHBondContact O-N 2.83Å
81F36.7Very low44.6Very low210 Ų210114.4 Ų114.492%0.92157%0.565SS**  trans-58.961.5172.5-154.1-92.5000110.7G79 S83G79-F81 PolarHBondContact O-N 3.03Å; F81-S83 PolarHBondContact O-N 3.16Å
82E36.1Very low44.1Very low172 Ų172110.4 Ų110.480%0.80455%0.553SS**  trans-77.899.5157-77.4-173.1-179.200104.7K80 S84K80-E82 PolarHBondContact O-N 2.83Å; E82-S84 PolarHBondContact O-N 3.27Å
83S34.7Very low44.1Very low46 Ų46109.8 Ų109.832%0.32256%0.564SS.*  trans-25.898.8174.1-1780000111.4F81 N85 D86F81-S83 PolarHBondContact O-N 3.16Å; S83-N85 PolarHBondContact O-N 2.96Å; S83-N85 WeakPolarHBondContact OG-CB 3.34Å; S83-D86 PolarHBondContact O-N 2.98Å
84S44.3Very low44.3Very low81 Ų81114.4 Ų114.457%0.56658%0.581SS**Hα-helixtrans-58.8-6170.6-162.70000111.1E82 F88E82-S84 PolarHBondContact O-N 3.27Å; S84-F88 WeakPolarHBondContact O-CD2 3.43Å; S84-F88 WeakPolarHBondContact OG-CE2 3.46Å
85N41Very low44.3Very low104 Ų104118.6 Ų118.656%0.55660%0.595SS**Hα-helixtrans-71.8-26.2171.9-59.1-27.9000112.9S83 H89S83-N85 PolarHBondContact O-N 2.96Å; S83-N85 WeakPolarHBondContact OG-CB 3.34Å; N85-H89 VanDerWaalsContact O-CB 3.25Å; N85-H89 WeakPolarHBondContact O-CB 3.47Å; N85-H89 PolarHBondContact O-CD2 2.77Å; N85-H89 PolarHBondContact O-N 3.36Å
86D47.1Very low44.1Very low112 Ų112119.8 Ų119.860%0.59960%0.6SS**Hα-helixtrans-77.9-41.4-170.3-74.2-14.5000113.8S83 F88 Q90S83-D86 PolarHBondContact O-N 2.98Å; D86-F88 VanDerWaalsContact C-N 3.31Å; D86-F88 PolarHBondContact O-N 3.18Å; D86-Q90 WeakPolarHBondContact O-CB 3.28Å; D86-Q90 PolarHBondContact O-N 3.21Å; D86-Q90 VanDerWaalsContact O-N 3.13Å
87V51.1Low44.1Very low110 Ų110114 Ų11467%0.66759%0.585SS**Hα-helixtrans-67.4-36.8176.4-179.50000110.9A91V87-A91 PolarHBondContact O-N 3.49Å
88F41.2Very low44.2Very low114 Ų114114.2 Ų114.250%0.559%0.59SS.*Hα-helixtrans-76.1-37.5-179.6-74.4-99.1000112.2S84 D86 Q90 A91 A92 A205S84-F88 WeakPolarHBondContact O-CD2 3.43Å; S84-F88 WeakPolarHBondContact OG-CE2 3.46Å; D86-F88 VanDerWaalsContact C-N 3.31Å; D86-F88 PolarHBondContact O-N 3.18Å; F88-Q90 VanDerWaalsContact C-N 3.3Å; F88-Q90 PolarHBondContact O-N 3.18Å; F88-A91 PolarHBondContact O-N 2.86Å; F88-A92 VanDerWaalsContact O-CB 3.29Å; F88-A92 WeakPolarHBondContact O-CB 2.97Å; F88-A92 PolarHBondContact O-N 3.29Å; F88-A205 HydrophobicContact CD1-CB 3.85Å; F88-A205 HydrophobicContact CE1-CB 4.01Å
89H44.8Very low44.6Very low116 Ų116114.9 Ų114.954%0.53759%0.589SS.*Hα-helixtrans-62.8-37.8172.2-85.6-56.3000112N85 A92 A93N85-H89 VanDerWaalsContact O-CB 3.25Å; N85-H89 WeakPolarHBondContact O-CB 3.47Å; N85-H89 PolarHBondContact O-CD2 2.77Å; N85-H89 PolarHBondContact O-N 3.36Å; H89-A92 PolarHBondContact O-N 2.72Å; H89-A93 WeakPolarHBondContact O-CB 3.27Å; H89-A93 PolarHBondContact O-N 3.37Å
90Q51.9Low44.9Very low130 Ų130116.8 Ų116.861%0.60759%0.587SS**Hα-helixtrans-69.4-37.8178.9-154.6172.863.600112.3D86 F88 R94D86-Q90 WeakPolarHBondContact O-CB 3.28Å; D86-Q90 PolarHBondContact O-N 3.21Å; D86-Q90 VanDerWaalsContact O-N 3.13Å; F88-Q90 VanDerWaalsContact C-N 3.3Å; F88-Q90 PolarHBondContact O-N 3.18Å; Q90-R94 WeakPolarHBondContact O-CG 3.48Å; Q90-R94 PolarHBondContact O-N 3.01Å
91A45.9Very low45.4Very low47 Ų47112.9 Ų112.939%0.38858%0.575SS.*Hα-helixtrans-67.1-46.317200000111.9V87 F88 A93 R94 F95V87-A91 PolarHBondContact O-N 3.49Å; F88-A91 PolarHBondContact O-N 2.86Å; A91-A93 PolarHBondContact O-N 3Å; A91-R94 PolarHBondContact O-N 3.28Å; A91-F95 WeakPolarHBondContact O-CD2 3.33Å; A91-F95 PolarHBondContact O-N 3.24Å
92A44.6Very low45.8Very low36 Ų36107.5 Ų107.530%0.29856%0.559SS.*Hα-helixtrans-65.1-36.1178.300000112.8F88 H89 R94 F95 R96F88-A92 VanDerWaalsContact O-CB 3.29Å; F88-A92 WeakPolarHBondContact O-CB 2.97Å; F88-A92 PolarHBondContact O-N 3.29Å; H89-A92 PolarHBondContact O-N 2.72Å; A92-R94 VanDerWaalsContact C-N 3.3Å; A92-R94 PolarHBondContact O-N 2.67Å; A92-F95 PolarHBondContact O-N 3.05Å; A92-F95 VanDerWaalsContact O-N 3.14Å; A92-R96 WeakPolarHBondContact O-CG 3.48Å; A92-R96 PolarHBondContact O-N 2.79Å
93A51.7Low46.2Very low61 Ų61108 Ų10850%0.50455%0.554SS.*Hα-helixtrans-63.4-34.4175.700000112.3H89 A91 F95 R96H89-A93 WeakPolarHBondContact O-CB 3.27Å; H89-A93 PolarHBondContact O-N 3.37Å; A91-A93 PolarHBondContact O-N 3Å; A93-F95 VanDerWaalsContact C-N 3.27Å; A93-F95 PolarHBondContact O-N 2.9Å; A93-R96 PolarHBondContact O-N 3Å
94R53.9Low46.6Very low196 Ų196113.1 Ų113.174%0.7457%0.572SS**Hα-helixtrans-66.4-27.6174.1-71.4177.1178174.51.9113.2Q90 A91 A92Q90-R94 WeakPolarHBondContact O-CG 3.48Å; Q90-R94 PolarHBondContact O-N 3.01Å; A91-R94 PolarHBondContact O-N 3.28Å; A92-R94 VanDerWaalsContact C-N 3.3Å; A92-R94 PolarHBondContact O-N 2.67Å
95F46.3Very low46.5Very low160 Ų160116.4 Ų116.470%0.70257%0.573SS**Hα-helixtrans-85.8-15.9175.5-67.5-70.4000113.7A91 A92 A93 S97A91-F95 WeakPolarHBondContact O-CD2 3.33Å; A91-F95 PolarHBondContact O-N 3.24Å; A92-F95 PolarHBondContact O-N 3.05Å; A92-F95 VanDerWaalsContact O-N 3.14Å; A93-F95 VanDerWaalsContact C-N 3.27Å; A93-F95 PolarHBondContact O-N 2.9Å; F95-S97 PolarHBondContact O-N 3.13Å
96R46.5Very low46.6Very low190 Ų190120 Ų12072%0.71759%0.586SS**  trans-81.73.6-179.2-75.4178.9-178.4-167.81.1114.2A92 A93 T98A92-R96 WeakPolarHBondContact O-CG 3.48Å; A92-R96 PolarHBondContact O-N 2.79Å; A93-R96 PolarHBondContact O-N 3Å; R96-T98 VanDerWaalsContact C-N 3.26Å; R96-T98 PolarHBondContact O-N 3.06Å
97S43.7Very low46.5Very low42 Ų42119.4 Ų119.429%0.29459%0.591SS.*  trans-62.988.2162.4170.20000109.1F95 E99 D100F95-S97 PolarHBondContact O-N 3.13Å; S97-E99 PolarHBondContact O-N 2.96Å; S97-D100 WeakPolarHBondContact CB-OD2 3.48Å; S97-D100 PolarHBondContact O-N 3.27Å; S97-D100 PolarHBondContact OG-OD2 3.04Å
98T47.1Very low45.8Very low110 Ų110119.2 Ų119.268%0.67560%0.595SS**THydrogen-bonded Turntrans-64.4-4.8177.336.90000113.5R96R96-T98 VanDerWaalsContact C-N 3.26Å; R96-T98 PolarHBondContact O-N 3.06Å
99E52.3Low45.6Very low139 Ų139118.6 Ų118.665%0.6561%0.605SS**THydrogen-bonded Turntrans-89.3-21.4179.3-70.3167.8179.600113S97S97-E99 PolarHBondContact O-N 2.96Å
100D47Very low45.1Very low91 Ų91118.7 Ų118.749%0.48762%0.618SS.*Hα-helixtrans-87.7-23.7179.5-67.7-45.1000113.1S97S97-D100 WeakPolarHBondContact CB-OD2 3.48Å; S97-D100 PolarHBondContact O-N 3.27Å; S97-D100 PolarHBondContact OG-OD2 3.04Å
101I46.6Very low44.3Very low104 Ų104117.4 Ų117.453%0.53362%0.623SS.*Hα-helixtrans-74.2-28.6-177.6-61.1175.1000111.5
102T45.4Very low43.6Very low96 Ų96122.3 Ų122.359%0.58965%0.649SS**Hα-helixtrans-84.4-23.3-178.731.30000114
103R43.7Very low43.2Very low184 Ų184128.4 Ų128.469%0.69467%0.671SS**Hα-helixtrans-75.7-25.2178.8-71-177.5-175.81644.1113.8
104H43Very low42.3Very low152 Ų152135.5 Ų135.570%0.70469%0.691SS**G310 helixtrans-83.8-13.2-179.3-91.8-66.4000115
105Y43Very low41.3Very low150 Ų150134.2 Ų134.259%0.58870%0.697SS**G310 helixtrans-82.6-12.7-177.3-97.7-89.9000114.7
106Q43Very low40.8Very low179 Ų179130.7 Ų130.784%0.83669%0.693SS**G310 helixtrans-98.8-2.6-178.8-68.9-174.9-11.400114.2
107S44.2Very low40.1Very low100 Ų100130.5 Ų130.570%0.69970%0.702SS**SBendtrans-121.914.8-168.1-54.10000115.7
108S36.8Very low39.5Very low107 Ų107138.6 Ų138.675%0.74873%0.728SS**  trans-128.957.2178.460.90000112.6
109S36Very low38.7Very low101 Ų101142.7 Ų142.771%0.70674%0.736SS**SBendtrans-94.2133.6149.956.40000107.9
110S34.1Very low37.8Very low118 Ų118146.5 Ų146.583%0.82575%0.745SS**SBendtrans63.490.2172.469.90000117.9
111S35.1Very low37Very low102 Ų102147.6 Ų147.671%0.71376%0.76SS**  trans-178105.7134.752.20000110E113S111-E113 VanDerWaalsContact C-N 3.35Å; S111-E113 PolarHBondContact O-N 3.2Å; S111-E113 VanDerWaalsContact O-N 3.09Å
112T32.6Very low36.4Very low151 Ų151152.8 Ų152.893%0.92677%0.774SS**  trans-68.189.7160.8390000108.8
113E35.3Very low35.8Very low164 Ų164151.7 Ų151.777%0.76677%0.77SS**  trans-136.1136.4169.9-74.7-165156.300111.5S111 L115S111-E113 VanDerWaalsContact C-N 3.35Å; S111-E113 PolarHBondContact O-N 3.2Å; S111-E113 VanDerWaalsContact O-N 3.09Å; E113-L115 PolarHBondContact O-N 3.04Å
114K32.6Very low35.8Very low210 Ų210146.9 Ų146.991%0.91377%0.765SS**  trans-51.6103.6177.5-68.8168.1173.8174.30110S116K114-S116 PolarHBondContact O-N 2.88Å
115L32.8Very low35.8Very low168 Ų168146.2 Ų146.288%0.8877%0.766SS**  trans-76.299.2170.4-76.3167.9000108.7E113E113-L115 PolarHBondContact O-N 3.04Å
116S37.3Very low35.9Very low87 Ų87146.2 Ų146.261%0.60878%0.777SS**  trans-53140.5163.951.60000110.1K114 Y118K114-S116 PolarHBondContact O-N 2.88Å; S116-Y118 PolarHBondContact O-N 2.89Å
117M29.8Very low35.8Very low185 Ų185140.7 Ų140.791%0.91176%0.755SS**  trans-50.5101171.3-91.817448.900110.1K119M117-K119 PolarHBondContact O-N 3.13Å
118Y31.5Very low35.4Very low213 Ų213140.5 Ų140.584%0.83575%0.751SS**  trans-68.1103.5162.3-105.8-91.4000107.6S116 R120S116-Y118 PolarHBondContact O-N 2.89Å; Y118-R120 PolarHBondContact O-N 3.26Å
119K31.3Very low35.7Very low195 Ų195140.3 Ų140.385%0.84875%0.75SS**  trans-47.894.5166.2-159.7176.7-171179.40108.3M117 S121M117-K119 PolarHBondContact O-N 3.13Å; K119-S121 PolarHBondContact O-N 2.86Å
120R33.3Very low36.2Very low220 Ų220140.1 Ų140.183%0.8374%0.741SS**  trans-66.6101.2165.6-94.8-177.2-153.1-140.92.1106.8Y118 Y122Y118-R120 PolarHBondContact O-N 3.26Å; R120-Y122 PolarHBondContact O-N 3.47Å
121S29.6Very low36.3Very low114 Ų114142.4 Ų142.480%0.79773%0.733SS**  trans-59.5101.9161.722.40000107.9K119 S123K119-S121 PolarHBondContact O-N 2.86Å; S121-S123 PolarHBondContact O-N 3.26Å
122Y33.7Very low36.3Very low213 Ų213144.1 Ų144.184%0.83573%0.729SS**  trans-62.3115.4159-77.5-92000106.6R120 S124R120-Y122 PolarHBondContact O-N 3.47Å; Y122-S124 PolarHBondContact O-N 3.15Å
123S33.3Very low36.5Very low72 Ų72144.9 Ų144.950%0.50372%0.72SS.*  trans-59.2119.3165.2156.40000107S121 D125S121-S123 PolarHBondContact O-N 3.26Å; S123-D125 PolarHBondContact O-N 3.11Å; S123-D125 PolarHBondContact OG-OD2 2.96Å
124S43.8Very low36.7Very low84 Ų84143.9 Ų143.959%0.58772%0.719SS**G310 helixtrans-71.2-1.2-179-176.80000112.6Y122 N126Y122-S124 PolarHBondContact O-N 3.15Å; S124-N126 VanDerWaalsContact C-N 3.32Å; S124-N126 PolarHBondContact O-N 3.18Å
125D42.9Very low36.9Very low137 Ų137138.3 Ų138.373%0.73370%0.698SS**G310 helixtrans-83.9-7.5-164.3-51.8-47.7000113.4S123S123-D125 PolarHBondContact O-N 3.11Å; S123-D125 PolarHBondContact OG-OD2 2.96Å
126N44.1Very low36.9Very low151 Ų151133.2 Ų133.281%0.80769%0.686SS**G310 helixtrans-121.513.1179.9-66.8-44.2000114S124S124-N126 VanDerWaalsContact C-N 3.32Å; S124-N126 PolarHBondContact O-N 3.18Å
127V41.7Very low37Very low63 Ų63136.7 Ų136.738%0.38270%0.698SS.*SBendtrans-94.3124.5175.9-176.60000108.2S129 Y131V127-S129 PolarHBondContact O-N 3.3Å; V127-S129 VanDerWaalsContact O-N 3.15Å; V127-Y131 HydrophobicContact CG1-CG 4.19Å
128P36.7Very low37.3Very low96 Ų96134.6 Ų134.662%0.62369%0.685SS**  trans-49.4124.5171-2633.8000110D130 Y131P128-D130 PolarHBondContact O-N 2.57Å; P128-Y131 WeakPolarHBondContact O-CB 3.19Å; P128-Y131 PolarHBondContact O-N 3.29Å
129S42.5Very low37.4Very low102 Ų102130.1 Ų130.171%0.71369%0.686SS**THydrogen-bonded Turntrans-59.2-12.1-17166.70000114.5V127V127-S129 PolarHBondContact O-N 3.3Å; V127-S129 VanDerWaalsContact O-N 3.15Å
130D45.9Very low37.7Very low98 Ų98130.5 Ų130.552%0.52468%0.682SS.*THydrogen-bonded Turntrans-88.8-7.4178.8-64.4-27.1000113.6P128 H132 K133P128-D130 PolarHBondContact O-N 2.57Å; D130-H132 PolarHBondContact O-N 2.97Å; D130-K133 PolarHBondContact O-N 3.41Å; D130-K133 VanDerWaalsContact O-N 3.16Å
131Y35.7Very low38Very low165 Ų165123.5 Ų123.565%0.64766%0.661SS**THydrogen-bonded Turntrans-65.1-26.2176.8-152.9-93000112.6V127 P128V127-Y131 HydrophobicContact CG1-CG 4.19Å; P128-Y131 WeakPolarHBondContact O-CB 3.19Å; P128-Y131 PolarHBondContact O-N 3.29Å
132H35.5Very low38.7Very low139 Ų139123.2 Ų123.264%0.64466%0.656SS**THydrogen-bonded Turntrans-93-9.7175.8-75.7-68.4000114.4D130D130-H132 PolarHBondContact O-N 2.97Å
133K38.1Very low39Very low167 Ų167119.5 Ų119.573%0.72665%0.651SS**THydrogen-bonded Turntrans-86.7-21178.3-94.1179.7177.21720114D130 I135D130-K133 PolarHBondContact O-N 3.41Å; D130-K133 VanDerWaalsContact O-N 3.16Å; K133-I135 VanDerWaalsContact C-N 3.31Å; K133-I135 PolarHBondContact O-N 3.35Å
134L38.6Very low39.6Very low143 Ų143121.2 Ų121.275%0.74966%0.655SS**THydrogen-bonded Turntrans-81.6-7.9179.8-68.5168.5000113.9
135I37.8Very low39.5Very low93 Ų93123.2 Ų123.248%0.47765%0.654SS.*THydrogen-bonded Turntrans-95.1-5.5-175.1-59.2177.2000112.1K133K133-I135 VanDerWaalsContact C-N 3.31Å; K133-I135 PolarHBondContact O-N 3.35Å
136G32.6Very low39.6Very low61 Ų61119.8 Ų119.863%0.62964%0.64SS**SBendtrans-81.6-16.6-170.600000117.6
137N37.8Very low39.1Very low159 Ų159118.9 Ų118.985%0.8563%0.634SS**SBendtrans-129.22.5-168.9-74.6-13.3000115.7
138H36.5Very low39Very low141 Ų141122.8 Ų122.865%0.65365%0.652SS**SBendtrans-107.1106.4166.7-81-65.6000108.4W140H138-W140 VanDerWaalsContact C-N 3.29Å; H138-W140 VanDerWaalsContact O-CD1 3.22Å; H138-W140 PolarHBondContact O-N 3.2Å
139S33.4Very low39.3Very low120 Ų120121 Ų12184%0.83964%0.637SS**  trans-56.796.5164.8173.70000107.9D141S139-D141 PolarHBondContact O-N 2.99Å
140W38Very low39.3Very low202 Ų202121.3 Ų121.377%0.76563%0.627SS**  trans-61.5101.1165-65.790.1000106.6H138 P142H138-W140 VanDerWaalsContact C-N 3.29Å; H138-W140 VanDerWaalsContact O-CD1 3.22Å; H138-W140 PolarHBondContact O-N 3.2Å; W140-P142 WeakPolarHBondContact O-CD 3.32Å
141D40.5Very low39.3Very low74 Ų74124.5 Ų124.540%0.39663%0.633SS.*  trans-66.5113.2168.4-170.3-19.9000107.1S139 N143 D144S139-D141 PolarHBondContact O-N 2.99Å; D141-N143 PolarHBondContact O-N 3.5Å; D141-N143 WeakPolarHBondContact OD1-CB 3.32Å; D141-N143 PolarHBondContact OD1-N 2.7Å; D141-N143 PolarHBondContact OD1-ND2 3.43Å; D141-D144 HydrophobicContact CB-CB 4.1Å; D141-D144 PolarHBondContact O-N 3.01Å; D141-D144 VanDerWaalsContact O-N 3.17Å
142P42.6Very low40.8Very low108 Ų108118.1 Ų118.170%0.70161%0.612SS**THydrogen-bonded Turntrans-63.1-8.1179.5-1833.1000113W140W140-P142 WeakPolarHBondContact O-CD 3.32Å
143N40.4Very low42.7Very low134 Ų134115 Ų11572%0.71760%0.595SS**THydrogen-bonded Turntrans-99.6-4.1-180-52.5-68.5000114.2D141D141-N143 PolarHBondContact O-N 3.5Å; D141-N143 WeakPolarHBondContact OD1-CB 3.32Å; D141-N143 PolarHBondContact OD1-N 2.7Å; D141-N143 PolarHBondContact OD1-ND2 3.43Å
144D46.6Very low44.6Very low109 Ų109112.2 Ų112.258%0.58359%0.585SS**SBendtrans-92.1-23.1-169.3-98.4-24.1000116.6D141D141-D144 HydrophobicContact CB-CB 4.1Å; D141-D144 PolarHBondContact O-N 3.01Å; D141-D144 VanDerWaalsContact O-N 3.17Å
145E41.8Very low46.8Very low125 Ų125110.7 Ų110.758%0.58457%0.572SS**SBendtrans-173.994.9171.5-99.2-132.6140.500112.3
146P44.9Very low49.1Very low66 Ų66106.3 Ų106.343%0.42955%0.55SS..SBendtrans-139.9-12.5134.212.69.1000115L148 I149 E150P146-L148 PolarHBondContact O-N 3.15Å; P146-I149 PolarHBondContact O-N 2.93Å; P146-E150 PolarHBondContact O-N 3.44Å; P146-E150 VanDerWaalsContact O-N 3.08Å
147L33.5Very low51.8Low132 Ų132106.1 Ų106.169%0.69153%0.534SS*.Hα-helixtrans-68.7-34.9-163.6-67.5171.9000114.3Y151L147-Y151 WeakPolarHBondContact O-CB 3.48Å; L147-Y151 PolarHBondContact O-N 3.45Å; L147-Y151 VanDerWaalsContact O-N 3.13Å
148L38.7Very low54.3Low145 Ų145104.2 Ų104.276%0.75952%0.52SS*.Hα-helixtrans-74.2-31.9-179-112.7139.7000112.5P146 S152P146-L148 PolarHBondContact O-N 3.15Å; L148-S152 PolarHBondContact O-N 3.32Å
149I44.3Very low57Low58 Ų5899.2 Ų99.230%0.29750%0.497SS..Hα-helixtrans-76.9-43.2178.9-64.4175.1000109.7P146 S152 Y153 I210P146-I149 PolarHBondContact O-N 2.93Å; I149-S152 WeakPolarHBondContact O-CB 3.38Å; I149-S152 PolarHBondContact O-N 2.86Å; I149-S152 VanDerWaalsContact O-N 3.13Å; I149-Y153 HydrophobicContact CG2-CD2 3.73Å; I149-Y153 HydrophobicContact CG2-CE2 3.29Å; I149-Y153 WeakPolarHBondContact O-CD2 3.44Å; I149-Y153 PolarHBondContact O-N 2.86Å; I149-I210 HydrophobicContact CD1-CG2 4.3Å; I149-I210 HydrophobicContact CG1-CG2 4.48Å
150E42.7Very low59.9Low109 Ų10993.5 Ų93.551%0.50946%0.457SS..Hα-helixtrans-62.1-44.4177.5-160.1165.4-152.200111.2P146 S152 Y153 E154P146-E150 PolarHBondContact O-N 3.44Å; P146-E150 VanDerWaalsContact O-N 3.08Å; E150-S152 PolarHBondContact O-N 3.47Å; E150-Y153 PolarHBondContact O-N 3.49Å; E150-E154 PolarHBondContact O-N 2.98Å
151Y45.8Very low62.6Low165 Ų16587 Ų8765%0.64744%0.437SS*.Hα-helixtrans-62.2-31.5174.7-161-101.3000112.8L147 K155L147-Y151 WeakPolarHBondContact O-CB 3.48Å; L147-Y151 PolarHBondContact O-N 3.45Å; L147-Y151 VanDerWaalsContact O-N 3.13Å; Y151-K155 WeakPolarHBondContact O-CB 3.34Å; Y151-K155 PolarHBondContact O-N 3.06Å
152S66.6Low65.2Low30 Ų3088.4 Ų88.421%0.2144%0.441CS..Hα-helixtrans-68.1-42.7173.1-1700000111.5L148 I149 E150 M156 G211L148-S152 PolarHBondContact O-N 3.32Å; I149-S152 WeakPolarHBondContact O-CB 3.38Å; I149-S152 PolarHBondContact O-N 2.86Å; I149-S152 VanDerWaalsContact O-N 3.13Å; E150-S152 PolarHBondContact O-N 3.47Å; S152-M156 VanDerWaalsContact O-CB 3.32Å; S152-M156 WeakPolarHBondContact O-CB 3.36Å; S152-M156 WeakPolarHBondContact O-CG 3.18Å; S152-M156 PolarHBondContact O-N 2.94Å; S152-G211 PolarHBondContact OG-O 3.41Å
153Y75Confident67.7Low75 Ų7583.5 Ų83.529%0.29441%0.409SS..Hα-helixtrans-68.3-44.9-179.8-75.5-62.6000112.4I149 E150 K155 M156 N157 G211 F213I149-Y153 HydrophobicContact CG2-CD2 3.73Å; I149-Y153 HydrophobicContact CG2-CE2 3.29Å; I149-Y153 WeakPolarHBondContact O-CD2 3.44Å; I149-Y153 PolarHBondContact O-N 2.86Å; E150-Y153 PolarHBondContact O-N 3.49Å; Y153-K155 PolarHBondContact O-N 3.44Å; Y153-M156 PolarHBondContact O-N 3.45Å; Y153-N157 WeakPolarHBondContact O-CB 3.49Å; Y153-N157 PolarHBondContact O-N 2.82Å; Y153-N157 PolarHBondContact O-ND2 3.05Å; Y153-G211 PolarHBondContact OH-N 3.44Å; Y153-F213 VanDerWaalsContact CD1-O 3.27Å; Y153-F213 WeakPolarHBondContact CD1-O 3.15Å; Y153-F213 WeakPolarHBondContact CE1-O 3.5Å
154E78.7Confident70.2Confident107 Ų10777.2 Ų77.250%0.538%0.375SS..Hα-helixtrans-59.2-48.7176.4-70.7-175.1160.700111.1E150 M156 N157 E158E150-E154 PolarHBondContact O-N 2.98Å; E154-M156 VanDerWaalsContact C-N 3.32Å; E154-M156 PolarHBondContact O-N 3.04Å; E154-N157 WeakPolarHBondContact O-CB 3.47Å; E154-N157 PolarHBondContact O-N 3.27Å; E154-N157 VanDerWaalsContact O-N 3.16Å; E154-E158 WeakPolarHBondContact O-CG 3.19Å; E154-E158 PolarHBondContact O-N 2.84Å
155K84.2Confident72.4Confident111 Ų11175.3 Ų75.348%0.48337%0.365SS..Hα-helixtrans-60.7-40.4177.4-173.4175.8-177.2174.50112.5Y151 Y153 K159Y151-K155 WeakPolarHBondContact O-CB 3.34Å; Y151-K155 PolarHBondContact O-N 3.06Å; Y153-K155 PolarHBondContact O-N 3.44Å; K155-K159 WeakPolarHBondContact O-CB 3.39Å; K155-K159 PolarHBondContact O-N 3.44Å
156M86.9Confident75Confident2 Ų272.8 Ų72.81%0.0136%0.355CS..Hα-helixtrans-67-40.5175.9-77.1-57.2-43.800112S152 Y153 E154 K159 L160 L185 Y189 W193 G211 T214S152-M156 VanDerWaalsContact O-CB 3.32Å; S152-M156 WeakPolarHBondContact O-CB 3.36Å; S152-M156 WeakPolarHBondContact O-CG 3.18Å; S152-M156 PolarHBondContact O-N 2.94Å; Y153-M156 PolarHBondContact O-N 3.45Å; E154-M156 VanDerWaalsContact C-N 3.32Å; E154-M156 PolarHBondContact O-N 3.04Å; M156-K159 PolarHBondContact O-N 3.21Å; M156-L160 WeakPolarHBondContact O-CB 3.48Å; M156-L160 PolarHBondContact O-N 3.07Å; M156-L185 HydrophobicContact CE-CD2 4.07Å; M156-Y189 HydrophobicContact SD-CD1 4.21Å; M156-Y189 HydrophobicContact SD-CD2 4.47Å; M156-Y189 HydrophobicContact SD-CE1 3.98Å; M156-Y189 HydrophobicContact SD-CE2 4.31Å; M156-Y189 HydrophobicContact SD-CG 4.46Å; M156-W193 HydrophobicContact CE-CH2 3.18Å; M156-W193 HydrophobicContact CE-CZ2 3.96Å; M156-W193 HydrophobicContact CE-CZ3 3.79Å; M156-W193 HydrophobicContact SD-CH2 4.03Å; M156-W193 HydrophobicContact SD-CZ2 4.47Å; M156-G211 WeakPolarHBondContact CG-O 3.36Å; M156-T214 HydrophobicContact CB-CG2 4.15Å; M156-T214 HydrophobicContact CE-CG2 3.98Å
157N89.3Confident77.2Confident57 Ų5769.7 Ų69.731%0.30534%0.335SS..Hα-helixtrans-63.6-45.9175.8-74.2-16.2000111.4Y153 E154 K159 L160 N161 T214Y153-N157 WeakPolarHBondContact O-CB 3.49Å; Y153-N157 PolarHBondContact O-N 2.82Å; Y153-N157 PolarHBondContact O-ND2 3.05Å; E154-N157 WeakPolarHBondContact O-CB 3.47Å; E154-N157 PolarHBondContact O-N 3.27Å; E154-N157 VanDerWaalsContact O-N 3.16Å; N157-K159 VanDerWaalsContact C-N 3.32Å; N157-K159 PolarHBondContact O-N 2.88Å; N157-L160 PolarHBondContact O-N 3.04Å; N157-N161 WeakPolarHBondContact O-CB 3.18Å; N157-N161 PolarHBondContact O-N 3.47Å; N157-N161 PolarHBondContact O-ND2 2.81Å; N157-T214 VanDerWaalsContact OD1-CB 3.31Å; N157-T214 WeakPolarHBondContact OD1-CB 3.49Å; N157-T214 PolarHBondContact OD1-OG1 3.39Å
158E90.9Very high79.9Confident119 Ų11965.7 Ų65.756%0.55631%0.313SS*.Hα-helixtrans-58.8-46.3174.5-74.5-178.217600111.1E154 L160 N161 Q162E154-E158 WeakPolarHBondContact O-CG 3.19Å; E154-E158 PolarHBondContact O-N 2.84Å; E158-L160 PolarHBondContact O-N 3.23Å; E158-N161 PolarHBondContact O-N 3.05Å; E158-Q162 VanDerWaalsContact O-CG 3.28Å; E158-Q162 WeakPolarHBondContact O-CG 3.36Å; E158-Q162 PolarHBondContact O-N 3.02Å
159K92.1Very high82.5Confident36 Ų3667.4 Ų67.416%0.15731%0.314CS..Hα-helixtrans-61.2-45.8178.4-175.360.6172.6-160.40111.7K155 M156 N157 N161 Q162 L163 L185 E188 Y189K155-K159 WeakPolarHBondContact O-CB 3.39Å; K155-K159 PolarHBondContact O-N 3.44Å; M156-K159 PolarHBondContact O-N 3.21Å; N157-K159 VanDerWaalsContact C-N 3.32Å; N157-K159 PolarHBondContact O-N 2.88Å; K159-N161 PolarHBondContact O-N 2.94Å; K159-Q162 WeakPolarHBondContact O-CB 3.24Å; K159-Q162 PolarHBondContact O-N 2.77Å; K159-L163 HydrophobicContact CG-CD1 4.46Å; K159-L163 WeakPolarHBondContact O-CG 3.36Å; K159-L163 PolarHBondContact O-N 3.31Å; K159-L185 HydrophobicContact CG-CD2 4.12Å; K159-E188 WeakPolarHBondContact CE-OE2 3.39Å; K159-E188 IonicContact NZ-OE1 2.7Å; K159-E188 PolarHBondContact NZ-OE1 2.99Å; K159-E188 IonicContact NZ-OE2 3.2Å; K159-E188 PolarHBondContact NZ-OE2 3.19Å; K159-Y189 HydrophobicContact CG-CE2 4.12Å
160L94.6Very high84.9Confident0 Ų071.3 Ų71.30%033%0.329CS..Hα-helixtrans-60.4-47177.7-176.662.7000110.9M156 N157 E158 Q162 L163 I164 I181 T214 A216 V223 A225M156-L160 WeakPolarHBondContact O-CB 3.48Å; M156-L160 PolarHBondContact O-N 3.07Å; N157-L160 PolarHBondContact O-N 3.04Å; E158-L160 PolarHBondContact O-N 3.23Å; L160-Q162 VanDerWaalsContact C-N 3.32Å; L160-Q162 PolarHBondContact O-N 3.34Å; L160-L163 PolarHBondContact O-N 3.08Å; L160-L163 VanDerWaalsContact O-N 3.16Å; L160-I164 HydrophobicContact CD1-CD1 4.32Å; L160-I164 HydrophobicContact CD1-CG1 4.49Å; L160-I164 HydrophobicContact CD2-CD1 4.5Å; L160-I164 HydrophobicContact CG-CD1 3.9Å; L160-I164 HydrophobicContact CG-CG1 4.5Å; L160-I164 VanDerWaalsContact O-CG1 3.29Å; L160-I164 WeakPolarHBondContact O-CG1 3.43Å; L160-I164 PolarHBondContact O-N 3.36Å; L160-I181 HydrophobicContact CD1-CD1 4.45Å; L160-I181 HydrophobicContact CD1-CG2 3.91Å; L160-T214 HydrophobicContact CB-CG2 4.15Å; L160-T214 HydrophobicContact CD2-CG2 3.88Å; L160-T214 WeakPolarHBondContact CD2-OG1 3.34Å; L160-T214 HydrophobicContact CG-CG2 4.49Å; L160-A216 HydrophobicContact CD2-CB 3.77Å; L160-A216 HydrophobicContact CG-CB 4.23Å; L160-V223 HydrophobicContact CD1-CG1 3.86Å; L160-V223 HydrophobicContact CD2-CG1 4.26Å; L160-V223 HydrophobicContact CG-CG1 4.41Å; L160-A225 HydrophobicContact CD1-CB 4.1Å
161N94.1Very high87.1Confident65 Ų6574.6 Ų74.635%0.34835%0.345SS..Hα-helixtrans-60.2-39.5176.5-77.3-51.3000112.5N157 E158 K159 N165N157-N161 WeakPolarHBondContact O-CB 3.18Å; N157-N161 PolarHBondContact O-N 3.47Å; N157-N161 PolarHBondContact O-ND2 2.81Å; E158-N161 PolarHBondContact O-N 3.05Å; K159-N161 PolarHBondContact O-N 2.94Å; N161-N165 WeakPolarHBondContact O-CB 3.38Å; N161-N165 PolarHBondContact O-N 3.24Å; N161-N165 PolarHBondContact O-ND2 3.13Å
162Q94.8Very high89.2Confident103 Ų10369.2 Ų69.248%0.48133%0.326SS..Hα-helixtrans-61.5-45.5174-72.117117.800111.7E158 K159 L160 N165 I166E158-Q162 VanDerWaalsContact O-CG 3.28Å; E158-Q162 WeakPolarHBondContact O-CG 3.36Å; E158-Q162 PolarHBondContact O-N 3.02Å; K159-Q162 WeakPolarHBondContact O-CB 3.24Å; K159-Q162 PolarHBondContact O-N 2.77Å; L160-Q162 VanDerWaalsContact C-N 3.32Å; L160-Q162 PolarHBondContact O-N 3.34Å; Q162-N165 PolarHBondContact O-N 3.02Å; Q162-I166 VanDerWaalsContact O-CG1 3.3Å; Q162-I166 WeakPolarHBondContact O-CG1 3.15Å; Q162-I166 PolarHBondContact O-N 3.48Å
163L95.1Very high90.3Very high5 Ų572.1 Ų72.13%0.02634%0.339CS..Hα-helixtrans-65-42179.1-65.4177.4000112.1K159 L160 N165 I166 A167 F180 I181 T184 L185K159-L163 HydrophobicContact CG-CD1 4.46Å; K159-L163 WeakPolarHBondContact O-CG 3.36Å; K159-L163 PolarHBondContact O-N 3.31Å; L160-L163 PolarHBondContact O-N 3.08Å; L160-L163 VanDerWaalsContact O-N 3.16Å; L163-N165 VanDerWaalsContact C-N 3.35Å; L163-N165 PolarHBondContact O-N 2.99Å; L163-I166 PolarHBondContact O-N 3.04Å; L163-A167 WeakPolarHBondContact O-CB 3.27Å; L163-A167 PolarHBondContact O-N 3.31Å; L163-F180 HydrophobicContact CD2-CZ 4.46Å; L163-I181 HydrophobicContact CB-CG1 4.28Å; L163-I181 HydrophobicContact CD1-CG2 4.09Å; L163-T184 HydrophobicContact CD1-CG2 4.26Å; L163-T184 HydrophobicContact CD2-CG2 3.45Å; L163-T184 VanDerWaalsContact CD2-CG2 3.45Å; L163-L185 HydrophobicContact CD1-CD2 3.8Å; L163-L185 HydrophobicContact CD1-CG 3.91Å
164I93.7Very high90.9Very high2 Ų271.3 Ų71.31%0.0134%0.34CS..Hα-helixtrans-59.7-47.4175-66.4166.4000110.1L160 I166 A167 M168 I181 A216 Y218 V223L160-I164 HydrophobicContact CD1-CD1 4.32Å; L160-I164 HydrophobicContact CD1-CG1 4.49Å; L160-I164 HydrophobicContact CD2-CD1 4.5Å; L160-I164 HydrophobicContact CG-CD1 3.9Å; L160-I164 HydrophobicContact CG-CG1 4.5Å; L160-I164 VanDerWaalsContact O-CG1 3.29Å; L160-I164 WeakPolarHBondContact O-CG1 3.43Å; L160-I164 PolarHBondContact O-N 3.36Å; I164-I166 VanDerWaalsContact C-N 3.31Å; I164-I166 PolarHBondContact O-N 3.32Å; I164-A167 PolarHBondContact O-N 2.87Å; I164-M168 HydrophobicContact CG2-CE 4.39Å; I164-M168 HydrophobicContact CG2-CG 4.24Å; I164-M168 WeakPolarHBondContact O-CB 3.23Å; I164-M168 WeakPolarHBondContact O-CG 3.4Å; I164-M168 PolarHBondContact O-N 3.45Å; I164-I181 HydrophobicContact CG1-CD1 4.22Å; I164-A216 HydrophobicContact CD1-CB 3.64Å; I164-Y218 HydrophobicContact CG2-CD1 4.21Å; I164-Y218 HydrophobicContact CG2-CD2 3.76Å; I164-Y218 HydrophobicContact CG2-CE2 4.44Å; I164-Y218 HydrophobicContact CG2-CG 3.61Å; I164-V223 HydrophobicContact CD1-CB 3.83Å; I164-V223 HydrophobicContact CD1-CG1 4.12Å; I164-V223 HydrophobicContact CD1-CG2 3.75Å; I164-V223 HydrophobicContact CG1-CB 4.49Å; I164-V223 HydrophobicContact CG1-CG1 4.45Å; I164-V223 HydrophobicContact CG1-CG2 4.09Å
165N93.7Very high91.3Very high69 Ų6974.1 Ų74.137%0.36935%0.353SS..Hα-helixtrans-60.4-38.6177.4-78.4-44.5000112.8N161 Q162 L163 K169 Y218N161-N165 WeakPolarHBondContact O-CB 3.38Å; N161-N165 PolarHBondContact O-N 3.24Å; N161-N165 PolarHBondContact O-ND2 3.13Å; Q162-N165 PolarHBondContact O-N 3.02Å; L163-N165 VanDerWaalsContact C-N 3.35Å; L163-N165 PolarHBondContact O-N 2.99Å; N165-K169 WeakPolarHBondContact O-CB 2.9Å; N165-K169 VanDerWaalsContact O-CG 3.28Å; N165-K169 WeakPolarHBondContact O-CG 2.96Å; N165-K169 PolarHBondContact O-N 3.02Å; N165-Y218 WeakPolarHBondContact OD1-CE2 3.46Å
166I94.5Very high91.7Very high72 Ų7271.6 Ų71.637%0.36935%0.347SS..Hα-helixtrans-65.4-45.9175.6-68.9163.6000110.7Q162 L163 I164 M168 K169 K170 F180Q162-I166 VanDerWaalsContact O-CG1 3.3Å; Q162-I166 WeakPolarHBondContact O-CG1 3.15Å; Q162-I166 PolarHBondContact O-N 3.48Å; L163-I166 PolarHBondContact O-N 3.04Å; I164-I166 VanDerWaalsContact C-N 3.31Å; I164-I166 PolarHBondContact O-N 3.32Å; I166-M168 VanDerWaalsContact C-N 3.32Å; I166-M168 PolarHBondContact O-N 2.92Å; I166-K169 PolarHBondContact O-N 2.93Å; I166-K170 HydrophobicContact CG2-CD 4.1Å; I166-K170 WeakPolarHBondContact O-CB 3.08Å; I166-K170 WeakPolarHBondContact O-CG 3.21Å; I166-K170 PolarHBondContact O-N 3.04Å; I166-F180 HydrophobicContact CB-CZ 4.41Å; I166-F180 HydrophobicContact CG2-CE1 4.29Å; I166-F180 HydrophobicContact CG2-CZ 3.79Å
167A93.1Very high92Very high1 Ų171.8 Ų71.81%0.00835%0.348CS..Hα-helixtrans-61.4-41.8179.600000111.8L163 I164 K170 Q171 M172 I177 F180L163-A167 WeakPolarHBondContact O-CB 3.27Å; L163-A167 PolarHBondContact O-N 3.31Å; I164-A167 PolarHBondContact O-N 2.87Å; A167-K170 PolarHBondContact O-N 3.19Å; A167-Q171 PolarHBondContact O-N 3.33Å; A167-M172 HydrophobicContact CB-SD 3.96Å; A167-M172 WeakPolarHBondContact O-CG 3.4Å; A167-M172 PolarHBondContact O-N 3.38Å; A167-M172 VanDerWaalsContact O-N 3.16Å; A167-I177 HydrophobicContact CB-CG1 4.21Å; A167-I177 HydrophobicContact CB-CG2 4.29Å; A167-F180 HydrophobicContact CB-CD1 3.99Å; A167-F180 HydrophobicContact CB-CE1 4.05Å
168M89.8Confident92.2Very high49 Ų4970.6 Ų70.624%0.24134%0.343CS..Hα-helixtrans-68.5-43.4178.1-65.1-69.117400112I164 I166 K170 Q171 I177 Y218 Y221I164-M168 HydrophobicContact CG2-CE 4.39Å; I164-M168 HydrophobicContact CG2-CG 4.24Å; I164-M168 WeakPolarHBondContact O-CB 3.23Å; I164-M168 WeakPolarHBondContact O-CG 3.4Å; I164-M168 PolarHBondContact O-N 3.45Å; I166-M168 VanDerWaalsContact C-N 3.32Å; I166-M168 PolarHBondContact O-N 2.92Å; M168-K170 PolarHBondContact O-N 3.45Å; M168-Q171 PolarHBondContact O-N 2.79Å; M168-I177 HydrophobicContact CE-CD1 4.28Å; M168-Y218 HydrophobicContact CB-CE1 4.21Å; M168-Y218 HydrophobicContact CE-CD1 3.65Å; M168-Y218 HydrophobicContact CE-CE1 4.01Å; M168-Y218 HydrophobicContact CG-CD1 3.96Å; M168-Y218 HydrophobicContact CG-CE1 3.48Å; M168-Y218 VanDerWaalsContact CG-CE1 3.48Å; M168-Y218 HydrophobicContact SD-CD1 4.08Å; M168-Y218 HydrophobicContact SD-CE1 3.78Å; M168-Y221 HydrophobicContact CE-CD2 4.01Å; M168-Y221 HydrophobicContact CE-CE2 4.46Å
169K93Very high92.3Very high180 Ų18071 Ų7178%0.78335%0.345SS*.Hα-helixtrans-61.2-34174.5-77.6178.3179.7-177.50112.7N165 I166 Q171N165-K169 WeakPolarHBondContact O-CB 2.9Å; N165-K169 VanDerWaalsContact O-CG 3.28Å; N165-K169 WeakPolarHBondContact O-CG 2.96Å; N165-K169 PolarHBondContact O-N 3.02Å; I166-K169 PolarHBondContact O-N 2.93Å; K169-Q171 VanDerWaalsContact C-N 3.25Å; K169-Q171 PolarHBondContact O-N 3.42Å
170K93.4Very high92.5Very high140 Ų14071.2 Ų71.261%0.60935%0.346SS*.THydrogen-bonded Turntrans-80-1.8176.1-74.9-177.5175.1-172.70113.9I166 A167 M168 M172I166-K170 HydrophobicContact CG2-CD 4.1Å; I166-K170 WeakPolarHBondContact O-CB 3.08Å; I166-K170 WeakPolarHBondContact O-CG 3.21Å; I166-K170 PolarHBondContact O-N 3.04Å; A167-K170 PolarHBondContact O-N 3.19Å; M168-K170 PolarHBondContact O-N 3.45Å; K170-M172 HydrophobicContact CB-CG 3.79Å; K170-M172 HydrophobicContact CB-SD 4.39Å; K170-M172 HydrophobicContact CD-SD 4.49Å; K170-M172 PolarHBondContact O-N 3.01Å
171Q90.1Very high92.5Very high178 Ų17871.2 Ų71.283%0.83235%0.346SS*.THydrogen-bonded Turntrans50.944-176.5-59.5-178.613.800112.4A167 M168 K169A167-Q171 PolarHBondContact O-N 3.33Å; M168-Q171 PolarHBondContact O-N 2.79Å; K169-Q171 VanDerWaalsContact C-N 3.25Å; K169-Q171 PolarHBondContact O-N 3.42Å
172M89.2Confident92.4Very high52 Ų5268.9 Ų68.926%0.25634%0.336SS..  trans-68.4143.9179.3-62.8-17365.500111A167 K170 I177 F180A167-M172 HydrophobicContact CB-SD 3.96Å; A167-M172 WeakPolarHBondContact O-CG 3.4Å; A167-M172 PolarHBondContact O-N 3.38Å; A167-M172 VanDerWaalsContact O-N 3.16Å; K170-M172 HydrophobicContact CB-CG 3.79Å; K170-M172 HydrophobicContact CB-SD 4.39Å; K170-M172 HydrophobicContact CD-SD 4.49Å; K170-M172 PolarHBondContact O-N 3.01Å; M172-I177 HydrophobicContact CB-CG1 3.93Å; M172-F180 HydrophobicContact CE-CB 3.53Å; M172-F180 HydrophobicContact CE-CD1 4.41Å; M172-F180 HydrophobicContact CE-CD2 4.26Å; M172-F180 HydrophobicContact CE-CG 3.81Å; M172-F180 HydrophobicContact SD-CB 4.21Å; M172-F180 HydrophobicContact SD-CD1 3.96Å; M172-F180 HydrophobicContact SD-CD2 4.28Å; M172-F180 HydrophobicContact SD-CE1 4.46Å; M172-F180 HydrophobicContact SD-CG 3.86Å
173D89.8Confident92.2Very high92 Ų9269.4 Ų69.449%0.49234%0.339SS..  trans-67.7145.2173.9177.746.6000110.8Q175 T176 I177D173-Q175 PolarHBondContact O-N 3.08Å; D173-Q175 VanDerWaalsContact O-N 3.09Å; D173-Q175 WeakPolarHBondContact OD2-CB 3.33Å; D173-Q175 WeakPolarHBondContact OD2-CG 3.43Å; D173-Q175 PolarHBondContact OD2-N 3.5Å; D173-T176 HydrophobicContact CB-CG2 4.32Å; D173-T176 PolarHBondContact N-OG1 3.1Å; D173-T176 WeakPolarHBondContact O-CA 3.38Å; D173-T176 PolarHBondContact O-N 3.14Å; D173-T176 PolarHBondContact O-OG1 2.9Å; D173-I177 WeakPolarHBondContact O-CG1 3.38Å; D173-I177 PolarHBondContact O-N 3.28Å
174L87.3Confident92.1Very high58 Ų5871 Ų7130%0.30435%0.349SS..THydrogen-bonded Turntrans-55.4-33.2-175.4-169.167.2000112.3T176 I177 P178 V197 Y221L174-T176 VanDerWaalsContact C-N 3.3Å; L174-T176 PolarHBondContact O-N 2.55Å; L174-I177 HydrophobicContact CD1-CD1 4.44Å; L174-P178 WeakPolarHBondContact O-CD 3.42Å; L174-V197 HydrophobicContact CD1-CG1 3.67Å; L174-Y221 HydrophobicContact CD1-CD1 3.71Å; L174-Y221 HydrophobicContact CD1-CE1 3.64Å; L174-Y221 HydrophobicContact CD2-CE1 4.09Å
175Q88.4Confident92Very high166 Ų16670.9 Ų70.978%0.77635%0.349SS*.THydrogen-bonded Turntrans-71.4-25.7178-56.9-174-6.900112.9D173D173-Q175 PolarHBondContact O-N 3.08Å; D173-Q175 VanDerWaalsContact O-N 3.09Å; D173-Q175 WeakPolarHBondContact OD2-CB 3.33Å; D173-Q175 WeakPolarHBondContact OD2-CG 3.43Å; D173-Q175 PolarHBondContact OD2-N 3.5Å
176T92.4Very high91.7Very high57 Ų5771 Ų7135%0.3535%0.347SS..THydrogen-bonded Turntrans-90.8-22.3-177.666.90000113.3D173 L174 Q179 F180D173-T176 HydrophobicContact CB-CG2 4.32Å; D173-T176 PolarHBondContact N-OG1 3.1Å; D173-T176 WeakPolarHBondContact O-CA 3.38Å; D173-T176 PolarHBondContact O-N 3.14Å; D173-T176 PolarHBondContact O-OG1 2.9Å; L174-T176 VanDerWaalsContact C-N 3.3Å; L174-T176 PolarHBondContact O-N 2.55Å; T176-Q179 PolarHBondContact O-N 3.33Å; T176-F180 PolarHBondContact O-N 3.16Å
177I93.4Very high91.1Very high6 Ų676.9 Ų76.93%0.03137%0.37CS..Hα-helixtrans-58.5-48.9-179.7-64175.8000112.5A167 M168 M172 D173 L174 Q179 F180 I181 V197A167-I177 HydrophobicContact CB-CG1 4.21Å; A167-I177 HydrophobicContact CB-CG2 4.29Å; M168-I177 HydrophobicContact CE-CD1 4.28Å; M172-I177 HydrophobicContact CB-CG1 3.93Å; D173-I177 WeakPolarHBondContact O-CG1 3.38Å; D173-I177 PolarHBondContact O-N 3.28Å; L174-I177 HydrophobicContact CD1-CD1 4.44Å; I177-Q179 VanDerWaalsContact C-N 3.32Å; I177-Q179 PolarHBondContact O-N 3.21Å; I177-F180 PolarHBondContact O-N 2.83Å; I177-I181 HydrophobicContact CG2-CD1 3.66Å; I177-I181 HydrophobicContact CG2-CG1 4.24Å; I177-I181 WeakPolarHBondContact O-CG1 3.46Å; I177-I181 PolarHBondContact O-N 3.34Å; I177-V197 HydrophobicContact CG2-CG2 4.01Å
178P93.9Very high90.7Very high32 Ų3281 Ų8121%0.20839%0.389CS..Hα-helixtrans-55.4-46.4178.9-2227.6000112.6L174 I181 A182 V195 V197L174-P178 WeakPolarHBondContact O-CD 3.42Å; P178-I181 PolarHBondContact O-N 3.33Å; P178-A182 VanDerWaalsContact O-CB 3.31Å; P178-A182 WeakPolarHBondContact O-CB 3.47Å; P178-A182 PolarHBondContact O-N 3.44Å; P178-V195 HydrophobicContact CB-CB 4.32Å; P178-V195 HydrophobicContact CB-CG1 4.28Å; P178-V197 HydrophobicContact CB-CG2 4.42Å; P178-V197 HydrophobicContact CG-CB 4.01Å; P178-V197 HydrophobicContact CG-CG2 3.88Å
179Q92.8Very high90.4Very high128 Ų12880.3 Ų80.360%0.59838%0.384SS*.Hα-helixtrans-65.1-42.3-179.3-172.6174.813.800111.6T176 I177 I181 A182 M183T176-Q179 PolarHBondContact O-N 3.33Å; I177-Q179 VanDerWaalsContact C-N 3.32Å; I177-Q179 PolarHBondContact O-N 3.21Å; Q179-I181 PolarHBondContact O-N 3.33Å; Q179-A182 PolarHBondContact O-N 3.41Å; Q179-M183 HydrophobicContact CG-CG 4.36Å; Q179-M183 HydrophobicContact CG-SD 3.94Å; Q179-M183 WeakPolarHBondContact O-CB 3.43Å; Q179-M183 VanDerWaalsContact O-CG 3.29Å; Q179-M183 WeakPolarHBondContact O-CG 3.43Å; Q179-M183 PolarHBondContact O-N 2.92Å
180F94.5Very high89.8Confident41 Ų4173.3 Ų73.318%0.1836%0.363CS..Hα-helixtrans-59.7-46.6175.8166.3-106.2000112.5L163 I166 A167 M172 T176 I177 T184L163-F180 HydrophobicContact CD2-CZ 4.46Å; I166-F180 HydrophobicContact CB-CZ 4.41Å; I166-F180 HydrophobicContact CG2-CE1 4.29Å; I166-F180 HydrophobicContact CG2-CZ 3.79Å; A167-F180 HydrophobicContact CB-CD1 3.99Å; A167-F180 HydrophobicContact CB-CE1 4.05Å; M172-F180 HydrophobicContact CE-CB 3.53Å; M172-F180 HydrophobicContact CE-CD1 4.41Å; M172-F180 HydrophobicContact CE-CD2 4.26Å; M172-F180 HydrophobicContact CE-CG 3.81Å; M172-F180 HydrophobicContact SD-CB 4.21Å; M172-F180 HydrophobicContact SD-CD1 3.96Å; M172-F180 HydrophobicContact SD-CD2 4.28Å; M172-F180 HydrophobicContact SD-CE1 4.46Å; M172-F180 HydrophobicContact SD-CG 3.86Å; T176-F180 PolarHBondContact O-N 3.16Å; I177-F180 PolarHBondContact O-N 2.83Å; F180-T184 WeakPolarHBondContact O-CB 3.22Å; F180-T184 PolarHBondContact O-N 3.31Å; F180-T184 VanDerWaalsContact O-N 3.12Å; F180-T184 PolarHBondContact O-OG1 2.9Å
181I95.3Very high89.2Confident0 Ų075.6 Ų75.60%037%0.368CS..Hα-helixtrans-65.3-49179.2-64.9174.2000109.6L160 L163 I164 I177 P178 Q179 M183 T184 L185 V195 V223L160-I181 HydrophobicContact CD1-CD1 4.45Å; L160-I181 HydrophobicContact CD1-CG2 3.91Å; L163-I181 HydrophobicContact CB-CG1 4.28Å; L163-I181 HydrophobicContact CD1-CG2 4.09Å; I164-I181 HydrophobicContact CG1-CD1 4.22Å; I177-I181 HydrophobicContact CG2-CD1 3.66Å; I177-I181 HydrophobicContact CG2-CG1 4.24Å; I177-I181 WeakPolarHBondContact O-CG1 3.46Å; I177-I181 PolarHBondContact O-N 3.34Å; P178-I181 PolarHBondContact O-N 3.33Å; Q179-I181 PolarHBondContact O-N 3.33Å; I181-M183 PolarHBondContact O-N 3.45Å; I181-T184 PolarHBondContact O-N 2.83Å; I181-L185 HydrophobicContact CG2-CD1 3.72Å; I181-L185 HydrophobicContact CG2-CG 4.24Å; I181-L185 WeakPolarHBondContact O-CG 3.17Å; I181-L185 PolarHBondContact O-N 3.29Å; I181-V195 HydrophobicContact CB-CG1 4.1Å; I181-V195 HydrophobicContact CB-CG2 4.19Å; I181-V195 HydrophobicContact CD1-CG1 4.32Å; I181-V195 HydrophobicContact CG2-CG1 4.06Å; I181-V195 HydrophobicContact CG2-CG2 3.81Å; I181-V223 HydrophobicContact CD1-CG1 4.01Å
182A92.8Very high89Confident15 Ų1569.4 Ų69.412%0.12434%0.341CS..Hα-helixtrans-56.5-53.6-179.400000111.3P178 Q179 T184 L185 E186 W193 V195P178-A182 VanDerWaalsContact O-CB 3.31Å; P178-A182 WeakPolarHBondContact O-CB 3.47Å; P178-A182 PolarHBondContact O-N 3.44Å; Q179-A182 PolarHBondContact O-N 3.41Å; A182-T184 VanDerWaalsContact C-N 3.27Å; A182-T184 PolarHBondContact O-N 3.47Å; A182-L185 PolarHBondContact O-N 3.14Å; A182-L185 VanDerWaalsContact O-N 3.15Å; A182-E186 WeakPolarHBondContact O-CB 3.17Å; A182-E186 WeakPolarHBondContact O-CG 3.44Å; A182-E186 PolarHBondContact O-N 3.14Å; A182-W193 HydrophobicContact CB-CB 4.46Å; A182-V195 HydrophobicContact CB-CB 4.5Å; A182-V195 HydrophobicContact CB-CG2 3.82Å
183M89.6Confident89.1Confident114 Ų11467.5 Ų67.556%0.56233%0.331SS*.Hα-helixtrans-60.5-36179.6-70.3178.868.800112.8Q179 I181 K187Q179-M183 HydrophobicContact CG-CG 4.36Å; Q179-M183 HydrophobicContact CG-SD 3.94Å; Q179-M183 WeakPolarHBondContact O-CB 3.43Å; Q179-M183 VanDerWaalsContact O-CG 3.29Å; Q179-M183 WeakPolarHBondContact O-CG 3.43Å; Q179-M183 PolarHBondContact O-N 2.92Å; I181-M183 PolarHBondContact O-N 3.45Å; M183-K187 WeakPolarHBondContact O-CB 3.43Å; M183-K187 PolarHBondContact O-N 2.94Å; M183-K187 VanDerWaalsContact O-N 3.13Å
184T93.4Very high89.3Confident38 Ų3867.7 Ų67.723%0.23333%0.328CS..Hα-helixtrans-70.5-41178.5-53.10000111.3L163 F180 I181 A182 E188L163-T184 HydrophobicContact CD1-CG2 4.26Å; L163-T184 HydrophobicContact CD2-CG2 3.45Å; L163-T184 VanDerWaalsContact CD2-CG2 3.45Å; F180-T184 WeakPolarHBondContact O-CB 3.22Å; F180-T184 PolarHBondContact O-N 3.31Å; F180-T184 VanDerWaalsContact O-N 3.12Å; F180-T184 PolarHBondContact O-OG1 2.9Å; I181-T184 PolarHBondContact O-N 2.83Å; A182-T184 VanDerWaalsContact C-N 3.27Å; A182-T184 PolarHBondContact O-N 3.47Å; T184-E188 PolarHBondContact O-N 3.19Å
185L91.2Very high89.6Confident0 Ų066 Ų660%032%0.32CS..Hα-helixtrans-67.5-38.4175.1-68.1176.1000111.5M156 K159 L163 I181 A182 K187 E188 Y189 W193 A225M156-L185 HydrophobicContact CE-CD2 4.07Å; K159-L185 HydrophobicContact CG-CD2 4.12Å; L163-L185 HydrophobicContact CD1-CD2 3.8Å; L163-L185 HydrophobicContact CD1-CG 3.91Å; I181-L185 HydrophobicContact CG2-CD1 3.72Å; I181-L185 HydrophobicContact CG2-CG 4.24Å; I181-L185 WeakPolarHBondContact O-CG 3.17Å; I181-L185 PolarHBondContact O-N 3.29Å; A182-L185 PolarHBondContact O-N 3.14Å; A182-L185 VanDerWaalsContact O-N 3.15Å; L185-K187 VanDerWaalsContact C-N 3.32Å; L185-K187 PolarHBondContact O-N 3.31Å; L185-E188 PolarHBondContact O-N 3.06Å; L185-Y189 HydrophobicContact CD2-CD2 3.92Å; L185-Y189 HydrophobicContact CD2-CE2 3.99Å; L185-Y189 WeakPolarHBondContact O-CB 3.16Å; L185-Y189 PolarHBondContact O-N 3.37Å; L185-W193 HydrophobicContact CB-CB 4.3Å; L185-W193 HydrophobicContact CB-CD2 3.59Å; L185-W193 HydrophobicContact CB-CE3 4.12Å; L185-W193 HydrophobicContact CB-CG 3.66Å; L185-W193 HydrophobicContact CB-CZ2 4.44Å; L185-W193 HydrophobicContact CD1-CD2 3.85Å; L185-W193 HydrophobicContact CD1-CE3 3.44Å; L185-W193 VanDerWaalsContact CD1-CE3 3.44Å; L185-W193 HydrophobicContact CD1-CG 4.45Å; L185-W193 HydrophobicContact CD1-CH2 4.46Å; L185-W193 HydrophobicContact CD1-CZ3 3.79Å; L185-W193 HydrophobicContact CG-CD2 4.31Å; L185-W193 HydrophobicContact CG-CE3 4.35Å; L185-A225 HydrophobicContact CD1-CB 4Å
186E87.3Confident89.8Confident72 Ų7261.3 Ų61.334%0.33630%0.3SS..Hα-helixtrans-61.7-41.2177.4-75.4-174.4158.600112.9A182 E188 G190 N192 W193A182-E186 WeakPolarHBondContact O-CB 3.17Å; A182-E186 WeakPolarHBondContact O-CG 3.44Å; A182-E186 PolarHBondContact O-N 3.14Å; E186-E188 PolarHBondContact O-N 2.87Å; E186-G190 VanDerWaalsContact CA-O 3.24Å; E186-G190 WeakPolarHBondContact CA-O 3.32Å; E186-G190 CarbonylContact O-C 3.47Å; E186-G190 WeakPolarHBondContact O-CA 3.29Å; E186-G190 PolarHBondContact O-N 3.29Å; E186-N192 PolarHBondContact OE1-N 2.83Å; E186-N192 VanDerWaalsContact OE1-N 3.1Å; E186-W193 HydrophobicContact CG-CB 4.03Å; E186-W193 HydrophobicContact CG-CG 4.26Å; E186-W193 PolarHBondContact OE1-N 3.39Å
187K81.6Confident89.7Confident195 Ų19559.8 Ų59.885%0.84829%0.29SS*.Hα-helixtrans-61.8-32.2177.5-173.3177.5179.5-179.80112.8M183 L185M183-K187 WeakPolarHBondContact O-CB 3.43Å; M183-K187 PolarHBondContact O-N 2.94Å; M183-K187 VanDerWaalsContact O-N 3.13Å; L185-K187 VanDerWaalsContact C-N 3.32Å; L185-K187 PolarHBondContact O-N 3.31Å
188E84.5Confident89.5Confident88 Ų8860 Ų6041%0.41129%0.294SS..Hα-helixtrans-100.5-37.4-172-169.6172.1149.200113.1K159 T184 L185 E186K159-E188 WeakPolarHBondContact CE-OE2 3.39Å; K159-E188 IonicContact NZ-OE1 2.7Å; K159-E188 PolarHBondContact NZ-OE1 2.99Å; K159-E188 IonicContact NZ-OE2 3.2Å; K159-E188 PolarHBondContact NZ-OE2 3.19Å; T184-E188 PolarHBondContact O-N 3.19Å; L185-E188 PolarHBondContact O-N 3.06Å; E186-E188 PolarHBondContact O-N 2.87Å
189Y84.3Confident89Confident35 Ų3561.1 Ų61.114%0.13730%0.302CS..Hα-helixtrans-116.30.2-170.9-59-80.4000114M156 K159 L185 W193 Q227M156-Y189 HydrophobicContact SD-CD1 4.21Å; M156-Y189 HydrophobicContact SD-CD2 4.47Å; M156-Y189 HydrophobicContact SD-CE1 3.98Å; M156-Y189 HydrophobicContact SD-CE2 4.31Å; M156-Y189 HydrophobicContact SD-CG 4.46Å; K159-Y189 HydrophobicContact CG-CE2 4.12Å; L185-Y189 HydrophobicContact CD2-CD2 3.92Å; L185-Y189 HydrophobicContact CD2-CE2 3.99Å; L185-Y189 WeakPolarHBondContact O-CB 3.16Å; L185-Y189 PolarHBondContact O-N 3.37Å; Y189-W193 HydrophobicContact CD2-CZ2 4.4Å; Y189-W193 HydrophobicContact CG-CZ2 4.16Å; Y189-Q227 PolarHBondContact O-NE2 3.03Å
190G81.2Confident88.3Confident33 Ų3362.5 Ų62.534%0.3430%0.303SS..  trans94.6170.5-178.600000113E186 W193 Q227E186-G190 VanDerWaalsContact CA-O 3.24Å; E186-G190 WeakPolarHBondContact CA-O 3.32Å; E186-G190 CarbonylContact O-C 3.47Å; E186-G190 WeakPolarHBondContact O-CA 3.29Å; E186-G190 PolarHBondContact O-N 3.29Å; G190-W193 PolarHBondContact O-NE1 2.88Å; G190-W193 VanDerWaalsContact O-NE1 3.14Å; G190-Q227 PolarHBondContact O-NE2 3.1Å
191R80Confident87.6Confident188 Ų18868.1 Ų68.171%0.70933%0.327SS*.SBendtrans-66.7172.4-167.2-62.4179179.5168.3-0.9114.1Q227R191-Q227 WeakPolarHBondContact O-CG 3.39Å; R191-Q227 PolarHBondContact O-NE2 3.14Å
192N86.5Confident86.4Confident48 Ų4871.5 Ų71.526%0.25735%0.347SS..  trans69.343.3170.7-51.9-24.6000115.1E186 Q227 T228 D230E186-N192 PolarHBondContact OE1-N 2.83Å; E186-N192 VanDerWaalsContact OE1-N 3.1Å; N192-Q227 WeakPolarHBondContact O-CA 3.22Å; N192-T228 PolarHBondContact O-N 2.88Å; N192-T228 PolarHBondContact O-OG1 2.92Å; N192-D230 VanDerWaalsContact ND2-CA 3.26Å; N192-D230 WeakPolarHBondContact ND2-CA 3.43Å; N192-D230 PolarHBondContact ND2-N 3.01Å; N192-D230 PolarHBondContact ND2-OD1 2.92Å
193W91.4Very high85.7Confident12 Ų1274.6 Ų74.65%0.04538%0.381CS..EExtended strand (participates in β ladder)trans-84.2124.7169.2-77.782.8000110.7M156 A182 L185 E186 Y189 G190 R212 A225 Q227M156-W193 HydrophobicContact CE-CH2 3.18Å; M156-W193 HydrophobicContact CE-CZ2 3.96Å; M156-W193 HydrophobicContact CE-CZ3 3.79Å; M156-W193 HydrophobicContact SD-CH2 4.03Å; M156-W193 HydrophobicContact SD-CZ2 4.47Å; A182-W193 HydrophobicContact CB-CB 4.46Å; L185-W193 HydrophobicContact CB-CB 4.3Å; L185-W193 HydrophobicContact CB-CD2 3.59Å; L185-W193 HydrophobicContact CB-CE3 4.12Å; L185-W193 HydrophobicContact CB-CG 3.66Å; L185-W193 HydrophobicContact CB-CZ2 4.44Å; L185-W193 HydrophobicContact CD1-CD2 3.85Å; L185-W193 HydrophobicContact CD1-CE3 3.44Å; L185-W193 VanDerWaalsContact CD1-CE3 3.44Å; L185-W193 HydrophobicContact CD1-CG 4.45Å; L185-W193 HydrophobicContact CD1-CH2 4.46Å; L185-W193 HydrophobicContact CD1-CZ3 3.79Å; L185-W193 HydrophobicContact CG-CD2 4.31Å; L185-W193 HydrophobicContact CG-CE3 4.35Å; E186-W193 HydrophobicContact CG-CB 4.03Å; E186-W193 HydrophobicContact CG-CG 4.26Å; E186-W193 PolarHBondContact OE1-N 3.39Å; Y189-W193 HydrophobicContact CD2-CZ2 4.4Å; Y189-W193 HydrophobicContact CG-CZ2 4.16Å; G190-W193 PolarHBondContact O-NE1 2.88Å; G190-W193 VanDerWaalsContact O-NE1 3.14Å; W193-R212 HydrophobicContact CH2-CB 4.17Å; W193-A225 HydrophobicContact CE3-CB 4.34Å; W193-A225 HydrophobicContact CZ3-CB 4.36Å; W193-Q227 HydrophobicContact CD2-CB 4.02Å; W193-Q227 HydrophobicContact CD2-CG 4.35Å; W193-Q227 HydrophobicContact CE3-CB 4.3Å; W193-Q227 HydrophobicContact CG-CG 4.46Å; W193-Q227 HydrophobicContact CH2-CB 4.23Å; W193-Q227 HydrophobicContact CZ2-CB 3.97Å; W193-Q227 HydrophobicContact CZ2-CG 4.44Å; W193-Q227 HydrophobicContact CZ3-CB 4.4Å
194Q92.7Very high85.1Confident95 Ų9571.6 Ų71.644%0.44437%0.37SS..EExtended strand (participates in β ladder)trans-101.8130.7170.9-59.1-172.317.500108.7A225 F226Q194-A225 WeakPolarHBondContact O-CA 3.37Å; Q194-F226 HydrophobicContact CB-CD1 4.35Å; Q194-F226 HydrophobicContact CB-CD2 4.16Å; Q194-F226 HydrophobicContact CB-CE1 3.9Å; Q194-F226 HydrophobicContact CB-CE2 3.69Å; Q194-F226 HydrophobicContact CB-CG 4.48Å; Q194-F226 HydrophobicContact CB-CZ 3.54Å; Q194-F226 HydrophobicContact CG-CE2 4.02Å; Q194-F226 HydrophobicContact CG-CZ 4.22Å; Q194-F226 PolarHBondContact N-O 3.42Å; Q194-F226 PolarHBondContact O-N 2.71Å
195V94.2Very high84.7Confident23 Ų2373.3 Ų73.314%0.13939%0.389CS..EExtended strand (participates in β ladder)trans-129.5128.5-179.3-176.60000109.4P178 I181 A182 V197 V223 V224 A225P178-V195 HydrophobicContact CB-CB 4.32Å; P178-V195 HydrophobicContact CB-CG1 4.28Å; I181-V195 HydrophobicContact CB-CG1 4.1Å; I181-V195 HydrophobicContact CB-CG2 4.19Å; I181-V195 HydrophobicContact CD1-CG1 4.32Å; I181-V195 HydrophobicContact CG2-CG1 4.06Å; I181-V195 HydrophobicContact CG2-CG2 3.81Å; A182-V195 HydrophobicContact CB-CB 4.5Å; A182-V195 HydrophobicContact CB-CG2 3.82Å; V195-V197 HydrophobicContact CG1-CG2 4.09Å; V195-V223 HydrophobicContact CG1-CG1 4.26Å; V195-V224 CarbonylContact C-O 3.53Å; V195-V224 WeakPolarHBondContact CA-O 3.23Å; V195-A225 HydrophobicContact CG2-CB 3.98Å
196I92.1Very high84.3Confident68 Ų6875.7 Ų75.735%0.34940%0.403SS..EExtended strand (participates in β ladder)trans-115.7123.6176.8-58.5169.9000107.1V223 V224 F226I196-V223 CarbonylContact O-C 3.56Å; I196-V223 WeakPolarHBondContact O-CA 3.43Å; I196-V224 HydrophobicContact CB-CB 4.43Å; I196-V224 PolarHBondContact N-O 3.12Å; I196-V224 PolarHBondContact O-N 2.96Å; I196-F226 HydrophobicContact CD1-CE1 4.18Å
197V91.9Very high84Confident24 Ų2477.5 Ų77.515%0.14542%0.424CS..EExtended strand (participates in β ladder)trans-122.5129.6171.9-176.30000108.7L174 I177 P178 V195 H222 V223L174-V197 HydrophobicContact CD1-CG1 3.67Å; I177-V197 HydrophobicContact CG2-CG2 4.01Å; P178-V197 HydrophobicContact CB-CG2 4.42Å; P178-V197 HydrophobicContact CG-CB 4.01Å; P178-V197 HydrophobicContact CG-CG2 3.88Å; V195-V197 HydrophobicContact CG1-CG2 4.09Å; V197-H222 WeakPolarHBondContact CA-O 3.12Å; V197-V223 HydrophobicContact CG1-CG2 4.1Å; V197-V223 HydrophobicContact CG2-CB 4.45Å; V197-V223 HydrophobicContact CG2-CG1 4.06Å; V197-V223 HydrophobicContact CG2-CG2 3.96Å
198G87.8Confident84.2Confident11 Ų1171.6 Ų71.611%0.11340%0.399CS..EExtended strand (participates in β ladder)trans-152.9157.6178.700000113.3Y200 Y221 H222G198-Y200 PolarHBondContact O-N 2.66Å; G198-Y221 CarbonylContact O-C 3.27Å; G198-Y221 WeakPolarHBondContact O-CA 3.3Å; G198-H222 PolarHBondContact N-O 3.17Å; G198-H222 PolarHBondContact O-N 2.97Å
199P83.7Confident83.9Confident56 Ų5669.9 Ų69.936%0.36439%0.392SS..SBendtrans-80.4-1.1178.733.1-35.2000113.8S220 Y221P199-S220 CarbonylContact C-O 3.57Å; P199-S220 VanDerWaalsContact C-O 3.27Å; P199-S220 WeakPolarHBondContact CA-O 3.47Å; P199-Y221 HydrophobicContact CB-CD1 4.28Å; P199-Y221 HydrophobicContact CB-CE1 4.27Å
200Y79.2Confident83.6Confident157 Ų15773.6 Ų73.662%0.61641%0.413SS*.SBendtrans-120.9154.5-178.5-55.4-68.2000110.2G198 V202G198-Y200 PolarHBondContact O-N 2.66Å; Y200-V202 PolarHBondContact O-N 3.13Å; Y200-V202 VanDerWaalsContact O-N 3.17Å
201K79Confident83.6Confident159 Ų15972.1 Ų72.169%0.69140%0.398SS*.PPolyproline II helixtrans-61.3118.1170.1-75.6179.1-179.5-1770108.9H222K201-H222 WeakPolarHBondContact CG-NE2 3.23Å
202V69.4Low83.9Confident71 Ų7166.4 Ų66.443%0.4338%0.376SS..PPolyproline II helixtrans-103.2128.2176.5-177.80000108.8Y200Y200-V202 PolarHBondContact O-N 3.13Å; Y200-V202 VanDerWaalsContact O-N 3.17Å
203G79.4Confident84.1Confident80 Ų8066.2 Ų66.283%0.82537%0.373SS*.PPolyproline II helixtrans-93.7129163.400000109.4
204C77.3Confident84.1Confident50 Ų5065.7 Ų65.734%0.33837%0.372SS..  trans-137.9142.9175.661.90000110.7V206C204-V206 HydrophobicContact CB-CG1 4.32Å
205A83.9Confident84Confident75 Ų7565.8 Ų65.862%0.6238%0.375SS*.  trans-120.7113.5166.600000106.7F88F88-A205 HydrophobicContact CD1-CB 3.85Å; F88-A205 HydrophobicContact CE1-CB 4.01Å
206V82.7Confident83.9Confident49 Ų4965.3 Ų65.330%0.29737%0.373SS..  trans-134.5144.7-172.5-64.50000109.6C204 H208 F213 F226C204-V206 HydrophobicContact CB-CG1 4.32Å; V206-H208 PolarHBondContact O-CD2 2.94Å; V206-H208 VanDerWaalsContact O-CD2 3.32Å; V206-F213 HydrophobicContact CG2-CD2 4.14Å; V206-F213 HydrophobicContact CG2-CE2 3.91Å; V206-F226 HydrophobicContact CB-CD2 4.28Å; V206-F226 HydrophobicContact CB-CE1 4.47Å; V206-F226 HydrophobicContact CB-CE2 3.87Å; V206-F226 HydrophobicContact CB-CZ 3.98Å; V206-F226 HydrophobicContact CG1-CE1 4.19Å; V206-F226 HydrophobicContact CG1-CE2 4.17Å; V206-F226 HydrophobicContact CG1-CZ 3.77Å; V206-F226 HydrophobicContact CG2-CD1 3.94Å; V206-F226 HydrophobicContact CG2-CD2 3.8Å; V206-F226 HydrophobicContact CG2-CE1 4.01Å; V206-F226 HydrophobicContact CG2-CE2 3.85Å; V206-F226 HydrophobicContact CG2-CG 3.84Å; V206-F226 HydrophobicContact CG2-CZ 3.96Å
207S81.7Confident83.8Confident111 Ų11167.7 Ų67.778%0.77638%0.383SS*.  trans-74.8127.7167.5-57.60000108.9
208H86.1Confident83.6Confident70 Ų7070.4 Ų70.432%0.32439%0.391SS..  trans-146.1163.2-178.66276.2000111.1V206 F213 F226 Q227V206-H208 PolarHBondContact O-CD2 2.94Å; V206-H208 VanDerWaalsContact O-CD2 3.32Å; H208-F213 AromaticContact CD2-CD2 3.53Å; H208-F213 AromaticContact CD2-CG 3.92Å; H208-F213 VanDerWaalsContact CE1-CB 3.5Å; H208-F213 WeakPolarHBondContact CE1-CB 3.28Å; H208-F213 AromaticContact NE2-CD2 3.85Å; H208-F213 AromaticContact NE2-CG 3.81Å; H208-F226 HydrophobicContact CB-CB 3.96Å; H208-F226 HydrophobicContact CB-CD2 4.22Å; H208-F226 HydrophobicContact CB-CG 4.5Å; H208-Q227 CarbonylContact C-O 3.5Å; H208-Q227 VanDerWaalsContact CA-O 3.24Å; H208-Q227 WeakPolarHBondContact CA-O 3.34Å; H208-Q227 WeakPolarHBondContact CB-O 3.37Å
209L77.1Confident83.4Confident53 Ų5373.6 Ų73.628%0.27742%0.417SS..  trans-67.3144.9172.3-65.1177.1000110.8G211 R212 Q227 L229L209-G211 PolarHBondContact O-N 3.32Å; L209-R212 HydrophobicContact CB-CB 3.79Å; L209-R212 HydrophobicContact CB-CG 3.76Å; L209-R212 WeakPolarHBondContact O-CB 3.48Å; L209-R212 PolarHBondContact O-N 2.96Å; L209-R212 VanDerWaalsContact O-N 3.11Å; L209-Q227 HydrophobicContact CD1-CB 4.22Å; L209-Q227 HydrophobicContact CD1-CG 3.85Å; L209-Q227 PolarHBondContact N-O 3.46Å; L209-L229 HydrophobicContact CD2-CD2 3.58Å; L209-L229 HydrophobicContact CD2-CG 3.72Å
210I78Confident83.4Confident112 Ų11274.3 Ų74.357%0.57442%0.423SS*.THydrogen-bonded Turntrans-61.6132.4178.9-61.4170000109.1I149 R212I149-I210 HydrophobicContact CD1-CG2 4.3Å; I149-I210 HydrophobicContact CG1-CG2 4.48Å; I210-R212 PolarHBondContact O-N 3.1Å
211G81.2Confident83.8Confident2 Ų270.3 Ų70.32%0.02141%0.407CS..THydrogen-bonded Turntrans71.18.4-178.200000114.8S152 Y153 M156 L209S152-G211 PolarHBondContact OG-O 3.41Å; Y153-G211 PolarHBondContact OH-N 3.44Å; M156-G211 WeakPolarHBondContact CG-O 3.36Å; L209-G211 PolarHBondContact O-N 3.32Å
212R86.4Confident84.4Confident68 Ų6864.3 Ų64.326%0.25738%0.382SS..  trans-120.236.1179.9-60.3-68.8-170.7-123.9-8.4112.3W193 L209 I210 F226 Q227W193-R212 HydrophobicContact CH2-CB 4.17Å; L209-R212 HydrophobicContact CB-CB 3.79Å; L209-R212 HydrophobicContact CB-CG 3.76Å; L209-R212 WeakPolarHBondContact O-CB 3.48Å; L209-R212 PolarHBondContact O-N 2.96Å; L209-R212 VanDerWaalsContact O-N 3.11Å; I210-R212 PolarHBondContact O-N 3.1Å; R212-F226 CarbonylContact O-C 3.53Å; R212-F226 WeakPolarHBondContact O-CA 3.32Å; R212-Q227 HydrophobicContact CB-CB 3.64Å; R212-Q227 VanDerWaalsContact CD-OE1 3.23Å; R212-Q227 HydrophobicContact CG-CB 4.19Å; R212-Q227 PolarHBondContact O-N 3.13Å
213F90.3Very high85.5Confident44 Ų4461.1 Ų61.119%0.19336%0.362CS..EExtended strand (participates in β ladder)trans-129129.7171.3178.3-82000107.8Y153 V206 H208 V224 F226Y153-F213 VanDerWaalsContact CD1-O 3.27Å; Y153-F213 WeakPolarHBondContact CD1-O 3.15Å; Y153-F213 WeakPolarHBondContact CE1-O 3.5Å; V206-F213 HydrophobicContact CG2-CD2 4.14Å; V206-F213 HydrophobicContact CG2-CE2 3.91Å; H208-F213 AromaticContact CD2-CD2 3.53Å; H208-F213 AromaticContact CD2-CG 3.92Å; H208-F213 VanDerWaalsContact CE1-CB 3.5Å; H208-F213 WeakPolarHBondContact CE1-CB 3.28Å; H208-F213 AromaticContact NE2-CD2 3.85Å; H208-F213 AromaticContact NE2-CG 3.81Å; F213-V224 HydrophobicContact CE2-CG1 3.83Å; F213-V224 HydrophobicContact CZ-CG1 3.86Å; F213-F226 HydrophobicContact CB-CB 4.37Å; F213-F226 HydrophobicContact CD2-CB 3.64Å; F213-F226 HydrophobicContact CD2-CG 4.32Å; F213-F226 HydrophobicContact CE2-CB 4.39Å; F213-F226 HydrophobicContact CG-CB 4.39Å
214T91.5Very high86.1Confident2 Ų257.7 Ų57.71%0.01233%0.325CS..EExtended strand (participates in β ladder)trans-147.6144.9178.3169.30000109.3M156 N157 L160 A225M156-T214 HydrophobicContact CB-CG2 4.15Å; M156-T214 HydrophobicContact CE-CG2 3.98Å; N157-T214 VanDerWaalsContact OD1-CB 3.31Å; N157-T214 WeakPolarHBondContact OD1-CB 3.49Å; N157-T214 PolarHBondContact OD1-OG1 3.39Å; L160-T214 HydrophobicContact CB-CG2 4.15Å; L160-T214 HydrophobicContact CD2-CG2 3.88Å; L160-T214 WeakPolarHBondContact CD2-OG1 3.34Å; L160-T214 HydrophobicContact CG-CG2 4.49Å; T214-A225 HydrophobicContact CG2-CB 4.15Å; T214-A225 PolarHBondContact N-O 3.24Å; T214-A225 PolarHBondContact O-N 3.1Å; T214-A225 VanDerWaalsContact O-O 3.1Å
215N92.3Very high86.9Confident97 Ų9755.3 Ų55.352%0.51931%0.309SS..EExtended strand (participates in β ladder)trans-131153.617165.521.1000110V223 V224N215-V223 CarbonylContact C-O 3.56Å; N215-V223 WeakPolarHBondContact CA-O 3.47Å; N215-V224 HydrophobicContact CB-CG2 4.11Å
216A92Very high87.3Confident12 Ų1252 Ų5210%0.09928%0.281CS..EExtended strand (participates in β ladder)trans-146.2146.4176.700000109.6L160 I164 V223L160-A216 HydrophobicContact CD2-CB 3.77Å; L160-A216 HydrophobicContact CG-CB 4.23Å; I164-A216 HydrophobicContact CD1-CB 3.64Å; A216-V223 PolarHBondContact N-O 3.41Å; A216-V223 PolarHBondContact O-N 2.94Å
217Q89.6Confident87.7Confident118 Ų11850.3 Ų50.355%0.55127%0.27SS*.EExtended strand (participates in β ladder)trans-107.4128.3169.7-176.4178.5-3.600108.5A219 Y221 H222Q217-A219 PolarHBondContact NE2-O 3.45Å; Q217-Y221 WeakPolarHBondContact CA-O 3.49Å; Q217-H222 VanDerWaalsContact CG-CE1 3.49Å; Q217-H222 WeakPolarHBondContact CG-CE1 3.38Å; Q217-H222 PolarHBondContact OE1-CE1 2.99Å
218Y87.1Confident87.9Confident81 Ų8146.4 Ų46.432%0.31824%0.241SC..EExtended strand (participates in β ladder)trans-130.8112.7175.3-172.9-86.6000109.7I164 N165 M168 S220 Y221I164-Y218 HydrophobicContact CG2-CD1 4.21Å; I164-Y218 HydrophobicContact CG2-CD2 3.76Å; I164-Y218 HydrophobicContact CG2-CE2 4.44Å; I164-Y218 HydrophobicContact CG2-CG 3.61Å; N165-Y218 WeakPolarHBondContact OD1-CE2 3.46Å; M168-Y218 HydrophobicContact CB-CE1 4.21Å; M168-Y218 HydrophobicContact CE-CD1 3.65Å; M168-Y218 HydrophobicContact CE-CE1 4.01Å; M168-Y218 HydrophobicContact CG-CD1 3.96Å; M168-Y218 HydrophobicContact CG-CE1 3.48Å; M168-Y218 VanDerWaalsContact CG-CE1 3.48Å; M168-Y218 HydrophobicContact SD-CD1 4.08Å; M168-Y218 HydrophobicContact SD-CE1 3.78Å; Y218-S220 PolarHBondContact O-N 3.49Å; Y218-Y221 PolarHBondContact N-O 3.47Å; Y218-Y221 WeakPolarHBondContact O-CA 3.48Å; Y218-Y221 WeakPolarHBondContact O-CB 3.49Å; Y218-Y221 PolarHBondContact O-N 2.87Å
219A84.1Confident87.5Confident78 Ų7849.1 Ų49.165%0.64526%0.258SS*.THydrogen-bonded Turntrans52.1-122.3-171.400000111.5Q217 Y221Q217-A219 PolarHBondContact NE2-O 3.45Å; A219-Y221 VanDerWaalsContact C-N 3.33Å
220S84.2Confident87Confident71 Ų7152.5 Ų52.550%0.49728%0.276SS..THydrogen-bonded Turntrans-85.3-1.4174.751.70000113.8P199 Y218P199-S220 CarbonylContact C-O 3.57Å; P199-S220 VanDerWaalsContact C-O 3.27Å; P199-S220 WeakPolarHBondContact CA-O 3.47Å; Y218-S220 PolarHBondContact O-N 3.49Å
221Y86.5Confident85.5Confident73 Ų7358.7 Ų58.729%0.28631%0.309SS..EExtended strand (participates in β ladder)trans-99.5140.2-176.1-55.4-75.6000112.2M168 L174 G198 P199 Q217 Y218 A219M168-Y221 HydrophobicContact CE-CD2 4.01Å; M168-Y221 HydrophobicContact CE-CE2 4.46Å; L174-Y221 HydrophobicContact CD1-CD1 3.71Å; L174-Y221 HydrophobicContact CD1-CE1 3.64Å; L174-Y221 HydrophobicContact CD2-CE1 4.09Å; G198-Y221 CarbonylContact O-C 3.27Å; G198-Y221 WeakPolarHBondContact O-CA 3.3Å; P199-Y221 HydrophobicContact CB-CD1 4.28Å; P199-Y221 HydrophobicContact CB-CE1 4.27Å; Q217-Y221 WeakPolarHBondContact CA-O 3.49Å; Y218-Y221 PolarHBondContact N-O 3.47Å; Y218-Y221 WeakPolarHBondContact O-CA 3.48Å; Y218-Y221 WeakPolarHBondContact O-CB 3.49Å; Y218-Y221 PolarHBondContact O-N 2.87Å; A219-Y221 VanDerWaalsContact C-N 3.33Å
222H91.1Very high85.7Confident34 Ų3461.5 Ų61.516%0.15732%0.323CS..EExtended strand (participates in β ladder)trans-109.8130.6169.7-72.2-86.4000109.3V197 G198 K201 Q217V197-H222 WeakPolarHBondContact CA-O 3.12Å; G198-H222 PolarHBondContact N-O 3.17Å; G198-H222 PolarHBondContact O-N 2.97Å; K201-H222 WeakPolarHBondContact CG-NE2 3.23Å; Q217-H222 VanDerWaalsContact CG-CE1 3.49Å; Q217-H222 WeakPolarHBondContact CG-CE1 3.38Å; Q217-H222 PolarHBondContact OE1-CE1 2.99Å
223V92.6Very high85.7Confident4 Ų461.2 Ų61.22%0.02433%0.327CS..EExtended strand (participates in β ladder)trans-119.6126.4178.3-178.20000108.2L160 I164 I181 V195 I196 V197 N215 A216L160-V223 HydrophobicContact CD1-CG1 3.86Å; L160-V223 HydrophobicContact CD2-CG1 4.26Å; L160-V223 HydrophobicContact CG-CG1 4.41Å; I164-V223 HydrophobicContact CD1-CB 3.83Å; I164-V223 HydrophobicContact CD1-CG1 4.12Å; I164-V223 HydrophobicContact CD1-CG2 3.75Å; I164-V223 HydrophobicContact CG1-CB 4.49Å; I164-V223 HydrophobicContact CG1-CG1 4.45Å; I164-V223 HydrophobicContact CG1-CG2 4.09Å; I181-V223 HydrophobicContact CD1-CG1 4.01Å; V195-V223 HydrophobicContact CG1-CG1 4.26Å; I196-V223 CarbonylContact O-C 3.56Å; I196-V223 WeakPolarHBondContact O-CA 3.43Å; V197-V223 HydrophobicContact CG1-CG2 4.1Å; V197-V223 HydrophobicContact CG2-CB 4.45Å; V197-V223 HydrophobicContact CG2-CG1 4.06Å; V197-V223 HydrophobicContact CG2-CG2 3.96Å; N215-V223 CarbonylContact C-O 3.56Å; N215-V223 WeakPolarHBondContact CA-O 3.47Å; A216-V223 PolarHBondContact N-O 3.41Å; A216-V223 PolarHBondContact O-N 2.94Å
224V93.3Very high85.4Confident8 Ų862.1 Ų62.15%0.04833%0.334CS..EExtended strand (participates in β ladder)trans-122.7127.5173.5-176.50000107.5V195 I196 F213 N215 F226V195-V224 CarbonylContact C-O 3.53Å; V195-V224 WeakPolarHBondContact CA-O 3.23Å; I196-V224 HydrophobicContact CB-CB 4.43Å; I196-V224 PolarHBondContact N-O 3.12Å; I196-V224 PolarHBondContact O-N 2.96Å; F213-V224 HydrophobicContact CE2-CG1 3.83Å; F213-V224 HydrophobicContact CZ-CG1 3.86Å; N215-V224 HydrophobicContact CB-CG2 4.11Å; V224-F226 HydrophobicContact CG1-CD1 4.2Å
225A93.5Very high85Confident0 Ų065.6 Ų65.60%035%0.353CS..EExtended strand (participates in β ladder)trans-129.2131.2177.200000110.1L160 L185 W193 Q194 V195 T214L160-A225 HydrophobicContact CD1-CB 4.1Å; L185-A225 HydrophobicContact CD1-CB 4Å; W193-A225 HydrophobicContact CE3-CB 4.34Å; W193-A225 HydrophobicContact CZ3-CB 4.36Å; Q194-A225 WeakPolarHBondContact O-CA 3.37Å; V195-A225 HydrophobicContact CG2-CB 3.98Å; T214-A225 HydrophobicContact CG2-CB 4.15Å; T214-A225 PolarHBondContact N-O 3.24Å; T214-A225 PolarHBondContact O-N 3.1Å; T214-A225 VanDerWaalsContact O-O 3.1Å
226F92.7Very high84.6Confident4 Ų463.7 Ų63.72%0.01834%0.343CS..EExtended strand (participates in β ladder)trans-147.6147.717961.2-85.3000112.7Q194 I196 V206 H208 R212 F213 V224 T228Q194-F226 HydrophobicContact CB-CD1 4.35Å; Q194-F226 HydrophobicContact CB-CD2 4.16Å; Q194-F226 HydrophobicContact CB-CE1 3.9Å; Q194-F226 HydrophobicContact CB-CE2 3.69Å; Q194-F226 HydrophobicContact CB-CG 4.48Å; Q194-F226 HydrophobicContact CB-CZ 3.54Å; Q194-F226 HydrophobicContact CG-CE2 4.02Å; Q194-F226 HydrophobicContact CG-CZ 4.22Å; Q194-F226 PolarHBondContact N-O 3.42Å; Q194-F226 PolarHBondContact O-N 2.71Å; I196-F226 HydrophobicContact CD1-CE1 4.18Å; V206-F226 HydrophobicContact CB-CD2 4.28Å; V206-F226 HydrophobicContact CB-CE1 4.47Å; V206-F226 HydrophobicContact CB-CE2 3.87Å; V206-F226 HydrophobicContact CB-CZ 3.98Å; V206-F226 HydrophobicContact CG1-CE1 4.19Å; V206-F226 HydrophobicContact CG1-CE2 4.17Å; V206-F226 HydrophobicContact CG1-CZ 3.77Å; V206-F226 HydrophobicContact CG2-CD1 3.94Å; V206-F226 HydrophobicContact CG2-CD2 3.8Å; V206-F226 HydrophobicContact CG2-CE1 4.01Å; V206-F226 HydrophobicContact CG2-CE2 3.85Å; V206-F226 HydrophobicContact CG2-CG 3.84Å; V206-F226 HydrophobicContact CG2-CZ 3.96Å; H208-F226 HydrophobicContact CB-CB 3.96Å; H208-F226 HydrophobicContact CB-CD2 4.22Å; H208-F226 HydrophobicContact CB-CG 4.5Å; R212-F226 CarbonylContact O-C 3.53Å; R212-F226 WeakPolarHBondContact O-CA 3.32Å; F213-F226 HydrophobicContact CB-CB 4.37Å; F213-F226 HydrophobicContact CD2-CB 3.64Å; F213-F226 HydrophobicContact CD2-CG 4.32Å; F213-F226 HydrophobicContact CE2-CB 4.39Å; F213-F226 HydrophobicContact CG-CB 4.39Å; V224-F226 HydrophobicContact CG1-CD1 4.2Å; F226-T228 HydrophobicContact CD2-CG2 3.92Å; F226-T228 HydrophobicContact CE2-CG2 3.86Å
227Q90Very high84.1Confident14 Ų1467.1 Ų67.17%0.06536%0.359CS..EExtended strand (participates in β ladder)trans-100.5135.2177.6-162.3176.715.300110.7Y189 G190 R191 N192 W193 H208 L209 R212Y189-Q227 PolarHBondContact O-NE2 3.03Å; G190-Q227 PolarHBondContact O-NE2 3.1Å; R191-Q227 WeakPolarHBondContact O-CG 3.39Å; R191-Q227 PolarHBondContact O-NE2 3.14Å; N192-Q227 WeakPolarHBondContact O-CA 3.22Å; W193-Q227 HydrophobicContact CD2-CB 4.02Å; W193-Q227 HydrophobicContact CD2-CG 4.35Å; W193-Q227 HydrophobicContact CE3-CB 4.3Å; W193-Q227 HydrophobicContact CG-CG 4.46Å; W193-Q227 HydrophobicContact CH2-CB 4.23Å; W193-Q227 HydrophobicContact CZ2-CB 3.97Å; W193-Q227 HydrophobicContact CZ2-CG 4.44Å; W193-Q227 HydrophobicContact CZ3-CB 4.4Å; H208-Q227 CarbonylContact C-O 3.5Å; H208-Q227 VanDerWaalsContact CA-O 3.24Å; H208-Q227 WeakPolarHBondContact CA-O 3.34Å; H208-Q227 WeakPolarHBondContact CB-O 3.37Å; L209-Q227 HydrophobicContact CD1-CB 4.22Å; L209-Q227 HydrophobicContact CD1-CG 3.85Å; L209-Q227 PolarHBondContact N-O 3.46Å; R212-Q227 HydrophobicContact CB-CB 3.64Å; R212-Q227 VanDerWaalsContact CD-OE1 3.23Å; R212-Q227 HydrophobicContact CG-CB 4.19Å; R212-Q227 PolarHBondContact O-N 3.13Å
228T86.7Confident83.7Confident30 Ų3063.5 Ų63.518%0.18435%0.345CS..  trans-107.2158.2176.952.90000111.2N192 F226N192-T228 PolarHBondContact O-N 2.88Å; N192-T228 PolarHBondContact O-OG1 2.92Å; F226-T228 HydrophobicContact CD2-CG2 3.92Å; F226-T228 HydrophobicContact CE2-CG2 3.86Å
229L76.9Confident83.4Confident127 Ų12762.2 Ų62.267%0.66535%0.347SS*.  trans-62.7146.9168.5-75.2164000109.3L209 L231L209-L229 HydrophobicContact CD2-CD2 3.58Å; L209-L229 HydrophobicContact CD2-CG 3.72Å; L229-L231 PolarHBondContact O-N 3.03Å; L229-L231 VanDerWaalsContact O-N 3.12Å
230D66.5Low83.4Confident123 Ų12360.8 Ų60.866%0.65832%0.322SS*.  trans-56.7114.9161.4-70.8-63.3000107.2N192N192-D230 VanDerWaalsContact ND2-CA 3.26Å; N192-D230 WeakPolarHBondContact ND2-CA 3.43Å; N192-D230 PolarHBondContact ND2-N 3.01Å; N192-D230 PolarHBondContact ND2-OD1 2.92Å
231L46.9Very low83.3Confident242 Ų24259.9 Ų59.9100%1.26731%0.307SS*.  trans-75.50169.1-76.8171.5000110.3L229L229-L231 PolarHBondContact O-N 3.03Å; L229-L231 VanDerWaalsContact O-N 3.12Å

Retrieved 231 of 231 residues in 73.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).