A0A5K4FAN2_SCHMA Loading...

HORMA domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FAN2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 200 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M32.8Very low56.8Low250 Ų250118.3 Ų118.3100%1.23259%0.591SS**  0100.30-109.9172.6166.300107.5A3M1-A3 PolarHBondContact O-N 3.45Å
2Q31.8Very low59.5Low197 Ų197114.6 Ų114.692%0.92158%0.575SS**  trans-76.7118.2172.5-88.6172.9-14.700107.6R4Q2-R4 PolarHBondContact O-N 3.11Å; Q2-R4 VanDerWaalsContact O-N 3.11Å
3A40.2Very low62Low92 Ų92106.8 Ų106.876%0.7654%0.536SS*.  trans-56.9117.2168.900000107.5M1 Q5M1-A3 PolarHBondContact O-N 3.45Å; A3-Q5 VanDerWaalsContact C-N 3.3Å; A3-Q5 PolarHBondContact O-N 3.03Å
4R35.8Very low64.3Low240 Ų24099.1 Ų99.191%0.90650%0.497SS*.  trans-58.599.2167.8-96.3-178.6172.5-179.4-1.9106.4Q2 V6Q2-R4 PolarHBondContact O-N 3.11Å; Q2-R4 VanDerWaalsContact O-N 3.11Å; R4-V6 PolarHBondContact O-N 2.84Å
5Q45.3Very low66.3Low144 Ų14492.7 Ų92.767%0.67347%0.466SS*.  trans-63.4109.7166.6-76.4-171.3-11.800106.2A3 K7A3-Q5 VanDerWaalsContact C-N 3.3Å; A3-Q5 PolarHBondContact O-N 3.03Å; Q5-K7 PolarHBondContact O-N 3.48Å; Q5-K7 VanDerWaalsContact O-N 3.14Å
6V52.9Low68.1Low115 Ų11591.6 Ų91.670%0.69746%0.455SS*.  trans-57.7118.7170.2178.20000105.7R4 V8R4-V6 PolarHBondContact O-N 2.84Å; V6-V8 PolarHBondContact O-N 3.14Å; V6-V8 VanDerWaalsContact O-N 3.1Å
7K54.5Low69.7Low162 Ų16286.2 Ų86.270%0.70443%0.428SS*.  trans-61116.6171.8-73.6-176.9174.7-171.30106.9Q5 D111Q5-K7 PolarHBondContact O-N 3.48Å; Q5-K7 VanDerWaalsContact O-N 3.14Å; K7-D111 HydrophobicContact CB-CB 4.45Å; K7-D111 WeakPolarHBondContact CB-O 3.42Å; K7-D111 HydrophobicContact CD-CB 4.46Å; K7-D111 WeakPolarHBondContact CD-O 3.5Å; K7-D111 WeakPolarHBondContact CG-O 3.45Å
8V69.6Low71.2Confident51 Ų5181.7 Ų81.731%0.30941%0.405SS..  trans-104.1126.7174.6-177.90000106.5V6 N12 L13V6-V8 PolarHBondContact O-N 3.14Å; V6-V8 VanDerWaalsContact O-N 3.1Å; V8-N12 HydrophobicContact CG1-CB 3.95Å; V8-L13 HydrophobicContact CG1-CB 4.3Å
9N83.6Confident72.6Confident31 Ų3179.5 Ų79.517%0.16639%0.394CS..  trans-60.5138.8173-172.4-81.4000110S11 N12 L13 I108 D111N9-S11 PolarHBondContact O-N 3.1Å; N9-S11 VanDerWaalsContact OD1-CB 3.28Å; N9-S11 WeakPolarHBondContact OD1-CB 3.37Å; N9-S11 PolarHBondContact OD1-N 3.28Å; N9-S11 PolarHBondContact OD1-OG 3.46Å; N9-N12 HydrophobicContact CB-CB 4.4Å; N9-N12 WeakPolarHBondContact O-CB 3.36Å; N9-N12 PolarHBondContact O-N 3.39Å; N9-L13 PolarHBondContact O-N 3.19Å; N9-I108 PolarHBondContact OD1-O 3.18Å; N9-D111 WeakPolarHBondContact CB-OD1 3.47Å; N9-D111 PolarHBondContact ND2-OD1 3Å
10V88.4Confident73.9Confident1 Ų176 Ų761%0.00638%0.377CS..Hα-helixtrans-57.9-37.3-178.4170.70000111.7N12 L13 I14 F107 I108 Q110 F114 L117V10-N12 VanDerWaalsContact C-N 3.35Å; V10-N12 PolarHBondContact O-N 3.3Å; V10-L13 WeakPolarHBondContact O-CB 3.48Å; V10-L13 PolarHBondContact O-N 3.07Å; V10-L13 VanDerWaalsContact O-N 3.17Å; V10-I14 HydrophobicContact CG1-CD1 3.88Å; V10-I14 HydrophobicContact CG1-CG1 4.32Å; V10-I14 WeakPolarHBondContact O-CG1 3.48Å; V10-I14 PolarHBondContact O-N 2.86Å; V10-F107 HydrophobicContact CG1-CD1 3.87Å; V10-F107 HydrophobicContact CG1-CE1 3.56Å; V10-F107 HydrophobicContact CG1-CZ 4.13Å; V10-F107 HydrophobicContact CG2-CE1 4.48Å; V10-F107 HydrophobicContact CG2-CE2 4.49Å; V10-F107 HydrophobicContact CG2-CZ 4.31Å; V10-F107 WeakPolarHBondContact CG2-O 3.43Å; V10-I108 HydrophobicContact CG1-CG1 4.45Å; V10-Q110 PolarHBondContact N-O 3.16Å; V10-F114 HydrophobicContact CG2-CD2 4.21Å; V10-L117 HydrophobicContact CG1-CD2 4.42Å
11S89.5Confident75Confident18 Ų1872.3 Ų72.313%0.12636%0.359CS..Hα-helixtrans-57.3-46.5173.867.50000112.1N9 L13 I14 S15N9-S11 PolarHBondContact O-N 3.1Å; N9-S11 VanDerWaalsContact OD1-CB 3.28Å; N9-S11 WeakPolarHBondContact OD1-CB 3.37Å; N9-S11 PolarHBondContact OD1-N 3.28Å; N9-S11 PolarHBondContact OD1-OG 3.46Å; S11-L13 VanDerWaalsContact C-N 3.29Å; S11-L13 PolarHBondContact O-N 3.23Å; S11-I14 PolarHBondContact O-N 3.17Å; S11-S15 WeakPolarHBondContact O-CB 3.35Å; S11-S15 PolarHBondContact O-N 3.03Å; S11-S15 PolarHBondContact O-OG 3.02Å; S11-S15 VanDerWaalsContact O-OG 3.13Å
12N90.1Very high78.1Confident74 Ų7460.4 Ų60.440%0.39630%0.301SS..Hα-helixtrans-63.4-37.4177.9-68.8-13000111.5V8 N9 V10 S15 Y16 R67V8-N12 HydrophobicContact CG1-CB 3.95Å; N9-N12 HydrophobicContact CB-CB 4.4Å; N9-N12 WeakPolarHBondContact O-CB 3.36Å; N9-N12 PolarHBondContact O-N 3.39Å; V10-N12 VanDerWaalsContact C-N 3.35Å; V10-N12 PolarHBondContact O-N 3.3Å; N12-S15 PolarHBondContact O-N 2.91Å; N12-Y16 WeakPolarHBondContact O-CB 3.24Å; N12-Y16 PolarHBondContact O-N 3.41Å; N12-R67 WeakPolarHBondContact OD1-CD 3.47Å
13L91.9Very high81.3Confident13 Ų1351.3 Ų51.37%0.06826%0.258CS..Hα-helixtrans-66.1-43.8178.1-169.664.6000111.7V8 N9 V10 S11 F17 F43 L117 Q118 F121V8-L13 HydrophobicContact CG1-CB 4.3Å; N9-L13 PolarHBondContact O-N 3.19Å; V10-L13 WeakPolarHBondContact O-CB 3.48Å; V10-L13 PolarHBondContact O-N 3.07Å; V10-L13 VanDerWaalsContact O-N 3.17Å; S11-L13 VanDerWaalsContact C-N 3.29Å; S11-L13 PolarHBondContact O-N 3.23Å; L13-F17 WeakPolarHBondContact O-CB 3.42Å; L13-F17 PolarHBondContact O-N 3.03Å; L13-F43 HydrophobicContact CD1-CE1 3.72Å; L13-F43 HydrophobicContact CD1-CZ 4.32Å; L13-F43 HydrophobicContact CG-CE1 4.42Å; L13-L117 HydrophobicContact CD2-CB 4.45Å; L13-L117 HydrophobicContact CD2-CD2 4.05Å; L13-L117 HydrophobicContact CD2-CG 4.27Å; L13-Q118 HydrophobicContact CD1-CG 4.01Å; L13-Q118 HydrophobicContact CD2-CG 3.87Å; L13-F121 HydrophobicContact CD2-CE2 4.41Å; L13-F121 HydrophobicContact CG-CD2 4.37Å; L13-F121 HydrophobicContact CG-CE2 4.08Å
14I93.6Very high84Confident0 Ų047 Ų470%022%0.222CC..Hα-helixtrans-66-45.8176-61.6170000109.9V10 S11 Y16 F17 I18 I70 F100 L103 I108 F121V10-I14 HydrophobicContact CG1-CD1 3.88Å; V10-I14 HydrophobicContact CG1-CG1 4.32Å; V10-I14 WeakPolarHBondContact O-CG1 3.48Å; V10-I14 PolarHBondContact O-N 2.86Å; S11-I14 PolarHBondContact O-N 3.17Å; I14-Y16 VanDerWaalsContact C-N 3.34Å; I14-Y16 PolarHBondContact O-N 3.25Å; I14-F17 WeakPolarHBondContact O-CB 3.41Å; I14-F17 PolarHBondContact O-N 3.38Å; I14-F17 VanDerWaalsContact O-N 3.16Å; I14-I18 HydrophobicContact CG2-CD1 3.92Å; I14-I18 HydrophobicContact CG2-CG1 4.34Å; I14-I18 WeakPolarHBondContact O-CG1 3.48Å; I14-I18 PolarHBondContact O-N 3.28Å; I14-I70 HydrophobicContact CB-CD1 3.9Å; I14-I70 HydrophobicContact CG2-CD1 3.67Å; I14-I70 HydrophobicContact CG2-CG1 4.08Å; I14-F100 HydrophobicContact CG2-CE1 4.06Å; I14-F100 HydrophobicContact CG2-CZ 4.1Å; I14-L103 HydrophobicContact CD1-CD1 3.87Å; I14-L103 HydrophobicContact CD1-CD2 4.5Å; I14-I108 HydrophobicContact CD1-CG1 4.46Å; I14-F121 HydrophobicContact CG1-CE2 4.48Å; I14-F121 HydrophobicContact CG1-CZ 4.14Å
15S94.4Very high86.9Confident3 Ų335.6 Ų35.62%0.02118%0.179CC..Hα-helixtrans-55.3-48.3175.4-68.70000112.1S11 N12 F17 I18 E19 R67 I70S11-S15 WeakPolarHBondContact O-CB 3.35Å; S11-S15 PolarHBondContact O-N 3.03Å; S11-S15 PolarHBondContact O-OG 3.02Å; S11-S15 VanDerWaalsContact O-OG 3.13Å; N12-S15 PolarHBondContact O-N 2.91Å; S15-F17 VanDerWaalsContact C-N 3.3Å; S15-F17 PolarHBondContact O-N 3.1Å; S15-I18 PolarHBondContact O-N 3.37Å; S15-E19 PolarHBondContact O-N 3.09Å; S15-R67 PolarHBondContact OG-NE 2.85Å; S15-I70 WeakPolarHBondContact OG-CD1 3.39Å
16Y94.7Very high89.4Confident75 Ų7528.7 Ų28.729%0.29415%0.147SC..Hα-helixtrans-65.3-34.2179.3-180-122000112.5N12 I14 S20 F40 A42 F43N12-Y16 WeakPolarHBondContact O-CB 3.24Å; N12-Y16 PolarHBondContact O-N 3.41Å; I14-Y16 VanDerWaalsContact C-N 3.34Å; I14-Y16 PolarHBondContact O-N 3.25Å; Y16-S20 WeakPolarHBondContact O-CB 3.08Å; Y16-S20 PolarHBondContact O-N 3.01Å; Y16-S20 PolarHBondContact O-OG 3.37Å; Y16-F40 AromaticContact CE2-CE1 4Å; Y16-F40 HydrophobicContact CE2-CE1 4Å; Y16-F40 AromaticContact CE2-CZ 3.95Å; Y16-F40 HydrophobicContact CE2-CZ 3.95Å; Y16-F40 AromaticContact CZ-CE1 3.89Å; Y16-F40 AromaticContact CZ-CZ 3.88Å; Y16-F40 WeakPolarHBondContact OH-CE1 3.38Å; Y16-F40 WeakPolarHBondContact OH-CZ 3.38Å; Y16-A42 HydrophobicContact CE1-CB 4.11Å; Y16-A42 WeakPolarHBondContact OH-CB 3.38Å; Y16-F43 HydrophobicContact CD1-CE1 4.31Å; Y16-F43 AromaticContact CD1-CE2 3.69Å; Y16-F43 HydrophobicContact CD1-CE2 3.69Å; Y16-F43 AromaticContact CD1-CZ 3.49Å; Y16-F43 HydrophobicContact CD1-CZ 3.49Å; Y16-F43 VanDerWaalsContact CD1-CZ 3.49Å; Y16-F43 HydrophobicContact CE1-CD2 4.33Å; Y16-F43 AromaticContact CE1-CE2 3.75Å; Y16-F43 HydrophobicContact CE1-CE2 3.75Å; Y16-F43 AromaticContact CE1-CZ 3.95Å; Y16-F43 HydrophobicContact CE1-CZ 3.95Å; Y16-F43 HydrophobicContact CG-CZ 4.42Å
17F95.9Very high91.5Very high0 Ų024.8 Ų24.80%012%0.12CC..Hα-helixtrans-65.6-47.5172168.2-108.2000111.9L13 I14 S15 E19 S20 V21 F43 L98 F121 I124 L125 M193L13-F17 WeakPolarHBondContact O-CB 3.42Å; L13-F17 PolarHBondContact O-N 3.03Å; I14-F17 WeakPolarHBondContact O-CB 3.41Å; I14-F17 PolarHBondContact O-N 3.38Å; I14-F17 VanDerWaalsContact O-N 3.16Å; S15-F17 VanDerWaalsContact C-N 3.3Å; S15-F17 PolarHBondContact O-N 3.1Å; F17-E19 VanDerWaalsContact C-N 3.33Å; F17-E19 PolarHBondContact O-N 3.45Å; F17-S20 WeakPolarHBondContact O-CB 3.5Å; F17-S20 PolarHBondContact O-N 3.41Å; F17-V21 HydrophobicContact CD2-CG2 3.95Å; F17-V21 HydrophobicContact CE1-CG2 4.08Å; F17-V21 HydrophobicContact CE2-CG2 3.46Å; F17-V21 VanDerWaalsContact CE2-CG2 3.46Å; F17-V21 HydrophobicContact CG-CG2 4.48Å; F17-V21 HydrophobicContact CZ-CG2 3.53Å; F17-V21 VanDerWaalsContact O-CG2 3.32Å; F17-V21 WeakPolarHBondContact O-CG2 3.27Å; F17-V21 PolarHBondContact O-N 3Å; F17-F43 HydrophobicContact CB-CE2 4.25Å; F17-F43 HydrophobicContact CB-CZ 3.75Å; F17-F43 HydrophobicContact CD2-CE2 4.5Å; F17-L98 HydrophobicContact CD1-CD2 4.49Å; F17-L98 HydrophobicContact CE1-CD2 3.89Å; F17-F121 HydrophobicContact CB-CD1 4.46Å; F17-F121 HydrophobicContact CB-CD2 3.59Å; F17-F121 HydrophobicContact CB-CE2 3.69Å; F17-F121 HydrophobicContact CB-CG 4Å; F17-F121 HydrophobicContact CB-CZ 4.19Å; F17-F121 AromaticContact CD1-CD1 3.8Å; F17-F121 HydrophobicContact CD1-CD1 3.8Å; F17-F121 HydrophobicContact CD1-CD2 4.38Å; F17-F121 AromaticContact CD1-CE1 3.67Å; F17-F121 HydrophobicContact CD1-CE1 3.67Å; F17-F121 HydrophobicContact CD1-CE2 4.26Å; F17-F121 HydrophobicContact CD1-CG 4.16Å; F17-F121 AromaticContact CD1-CZ 3.92Å; F17-F121 HydrophobicContact CD1-CZ 3.92Å; F17-F121 HydrophobicContact CD2-CB 3.48Å; F17-F121 VanDerWaalsContact CD2-CB 3.48Å; F17-F121 AromaticContact CD2-CD1 3.72Å; F17-F121 HydrophobicContact CD2-CD1 3.72Å; F17-F121 AromaticContact CD2-CD2 3.97Å; F17-F121 HydrophobicContact CD2-CD2 3.97Å; F17-F121 HydrophobicContact CD2-CE1 4.42Å; F17-F121 AromaticContact CD2-CG 3.46Å; F17-F121 HydrophobicContact CD2-CG 3.46Å; F17-F121 VanDerWaalsContact CD2-CG 3.46Å; F17-F121 AromaticContact CE1-CD1 3.89Å; F17-F121 HydrophobicContact CE1-CD1 3.89Å; F17-F121 AromaticContact CE1-CE1 3.89Å; F17-F121 HydrophobicContact CE1-CE1 3.89Å; F17-F121 HydrophobicContact CE2-CB 3.81Å; F17-F121 AromaticContact CE2-CD1 3.79Å; F17-F121 HydrophobicContact CE2-CD1 3.79Å; F17-F121 AromaticContact CE2-CG 3.91Å; F17-F121 HydrophobicContact CE2-CG 3.91Å; F17-F121 HydrophobicContact CG-CB 4.12Å; F17-F121 AromaticContact CG-CD1 3.7Å; F17-F121 HydrophobicContact CG-CD1 3.7Å; F17-F121 AromaticContact CG-CD2 3.71Å; F17-F121 HydrophobicContact CG-CD2 3.71Å; F17-F121 AromaticContact CG-CE1 3.95Å; F17-F121 HydrophobicContact CG-CE1 3.95Å; F17-F121 AromaticContact CG-CE2 3.94Å; F17-F121 HydrophobicContact CG-CE2 3.94Å; F17-F121 AromaticContact CG-CG 3.58Å; F17-F121 HydrophobicContact CG-CG 3.58Å; F17-F121 HydrophobicContact CG-CZ 4.06Å; F17-F121 AromaticContact CZ-CD1 3.87Å; F17-F121 HydrophobicContact CZ-CD1 3.87Å; F17-F121 HydrophobicContact CZ-CE1 4.34Å; F17-F121 HydrophobicContact CZ-CG 4.44Å; F17-I124 HydrophobicContact CE2-CB 4.18Å; F17-I124 HydrophobicContact CE2-CD1 4.42Å; F17-I124 HydrophobicContact CE2-CG2 4.11Å; F17-I124 HydrophobicContact CZ-CB 4.16Å; F17-I124 HydrophobicContact CZ-CD1 3.83Å; F17-I124 HydrophobicContact CZ-CG2 3.85Å; F17-L125 HydrophobicContact CD2-CD1 4.43Å; F17-L125 HydrophobicContact CE2-CD2 4.49Å; F17-L125 HydrophobicContact CE2-CG 4.2Å; F17-M193 HydrophobicContact CE1-CE 3.56Å; F17-M193 HydrophobicContact CE1-SD 4.06Å; F17-M193 HydrophobicContact CZ-CE 4.29Å
18I97.5Very high93.4Very high4 Ų417.7 Ų17.72%0.0219%0.089CC..Hα-helixtrans-60.3-44.8178-61.8167.3000110.2I14 S15 S20 V21 I22 I63 I70 F76 L98 F100I14-I18 HydrophobicContact CG2-CD1 3.92Å; I14-I18 HydrophobicContact CG2-CG1 4.34Å; I14-I18 WeakPolarHBondContact O-CG1 3.48Å; I14-I18 PolarHBondContact O-N 3.28Å; S15-I18 PolarHBondContact O-N 3.37Å; I18-S20 PolarHBondContact O-N 2.84Å; I18-V21 PolarHBondContact O-N 3.47Å; I18-I22 HydrophobicContact CG2-CD1 4.15Å; I18-I22 WeakPolarHBondContact O-CG1 3.31Å; I18-I22 PolarHBondContact O-N 3.25Å; I18-I63 HydrophobicContact CB-CD1 3.91Å; I18-I63 HydrophobicContact CG2-CD1 3.49Å; I18-I63 VanDerWaalsContact CG2-CD1 3.49Å; I18-I70 HydrophobicContact CD1-CD1 4.29Å; I18-F76 HydrophobicContact CG2-CD1 3.71Å; I18-F76 HydrophobicContact CG2-CE1 3.51Å; I18-F76 HydrophobicContact CG2-CE2 4.41Å; I18-F76 HydrophobicContact CG2-CG 4.24Å; I18-F76 HydrophobicContact CG2-CZ 3.91Å; I18-L98 HydrophobicContact CG1-CD2 3.93Å; I18-L98 HydrophobicContact CG2-CD2 4.47Å; I18-F100 HydrophobicContact CD1-CZ 4.23Å
19E97.5Very high94.7Very high41 Ų4115.7 Ų15.719%0.1928%0.076CC..Hα-helixtrans-56.8-47.7174.7-175.2176.8157.100112.2S15 F17 V21 I22 H23 I59 I63S15-E19 PolarHBondContact O-N 3.09Å; F17-E19 VanDerWaalsContact C-N 3.33Å; F17-E19 PolarHBondContact O-N 3.45Å; E19-V21 VanDerWaalsContact C-N 3.29Å; E19-V21 PolarHBondContact O-N 3.06Å; E19-I22 PolarHBondContact O-N 3.49Å; E19-H23 PolarHBondContact O-CD2 3.32Å; E19-H23 PolarHBondContact O-N 3.1Å; E19-H23 VanDerWaalsContact O-N 3.07Å; E19-I59 HydrophobicContact CG-CG2 3.88Å; E19-I63 HydrophobicContact CB-CG1 4.1Å
20S97.6Very high95.2Very high8 Ų817.8 Ų17.86%0.0569%0.088CC..Hα-helixtrans-61.3-38.9178-61.40000111.8Y16 F17 I18 L24Y16-S20 WeakPolarHBondContact O-CB 3.08Å; Y16-S20 PolarHBondContact O-N 3.01Å; Y16-S20 PolarHBondContact O-OG 3.37Å; F17-S20 WeakPolarHBondContact O-CB 3.5Å; F17-S20 PolarHBondContact O-N 3.41Å; I18-S20 PolarHBondContact O-N 2.84Å; S20-L24 VanDerWaalsContact O-CB 3.28Å; S20-L24 WeakPolarHBondContact O-CB 3.35Å; S20-L24 PolarHBondContact O-N 3.33Å
21V98Very high95.5Very high0 Ų018.5 Ų18.50%09%0.092CC..Hα-helixtrans-66.5-44.3177.2168.20000111.4F17 I18 E19 L24 Y25 L96 L98 L125 L128F17-V21 HydrophobicContact CD2-CG2 3.95Å; F17-V21 HydrophobicContact CE1-CG2 4.08Å; F17-V21 HydrophobicContact CE2-CG2 3.46Å; F17-V21 VanDerWaalsContact CE2-CG2 3.46Å; F17-V21 HydrophobicContact CG-CG2 4.48Å; F17-V21 HydrophobicContact CZ-CG2 3.53Å; F17-V21 VanDerWaalsContact O-CG2 3.32Å; F17-V21 WeakPolarHBondContact O-CG2 3.27Å; F17-V21 PolarHBondContact O-N 3Å; I18-V21 PolarHBondContact O-N 3.47Å; E19-V21 VanDerWaalsContact C-N 3.29Å; E19-V21 PolarHBondContact O-N 3.06Å; V21-L24 PolarHBondContact O-N 3.29Å; V21-Y25 WeakPolarHBondContact O-CB 3.28Å; V21-Y25 PolarHBondContact O-N 2.88Å; V21-L96 HydrophobicContact CG1-CD2 3.33Å; V21-L96 HydrophobicContact CG1-CG 4.44Å; V21-L98 HydrophobicContact CG1-CD1 3.99Å; V21-L98 HydrophobicContact CG1-CD2 4.36Å; V21-L125 HydrophobicContact CG2-CD2 3.83Å; V21-L128 HydrophobicContact CG1-CD2 4.03Å
22I98.2Very high95.7Very high0 Ų020.5 Ų20.50%010%0.097CC..Hα-helixtrans-58.2-53.2176.7-64.4161.9000109.6I18 E19 L24 Y25 L26 I59 I63 F76 V78 W144I18-I22 HydrophobicContact CG2-CD1 4.15Å; I18-I22 WeakPolarHBondContact O-CG1 3.31Å; I18-I22 PolarHBondContact O-N 3.25Å; E19-I22 PolarHBondContact O-N 3.49Å; I22-L24 PolarHBondContact O-N 3.04Å; I22-Y25 PolarHBondContact O-N 3.26Å; I22-L26 HydrophobicContact CG2-CD1 3.77Å; I22-L26 HydrophobicContact CG2-CG 4.27Å; I22-L26 VanDerWaalsContact O-CG 3.23Å; I22-L26 WeakPolarHBondContact O-CG 3.45Å; I22-L26 PolarHBondContact O-N 3.44Å; I22-I59 HydrophobicContact CB-CG2 4.48Å; I22-I59 HydrophobicContact CD1-CG2 4.11Å; I22-I59 HydrophobicContact CG2-CD1 3.79Å; I22-I59 HydrophobicContact CG2-CG1 3.87Å; I22-I59 HydrophobicContact CG2-CG2 4.37Å; I22-I63 HydrophobicContact CD1-CD1 3.89Å; I22-I63 HydrophobicContact CD1-CG1 4.4Å; I22-F76 HydrophobicContact CD1-CE1 4.06Å; I22-F76 HydrophobicContact CD1-CZ 3.84Å; I22-F76 HydrophobicContact CG1-CE1 4.08Å; I22-F76 HydrophobicContact CG1-CZ 4.32Å; I22-V78 HydrophobicContact CB-CG2 4.46Å; I22-V78 HydrophobicContact CG1-CG2 3.66Å; I22-W144 HydrophobicContact CG2-CH2 3.78Å; I22-W144 HydrophobicContact CG2-CZ2 4.29Å; I22-W144 HydrophobicContact CG2-CZ3 3.94Å
23H97.7Very high95.9Very high6 Ų621.3 Ų21.33%0.02811%0.106CC..Hα-helixtrans-57.8-47.1-179.3-84.5-54.9000113.2E19 Y27 T49 C50 I59E19-H23 PolarHBondContact O-CD2 3.32Å; E19-H23 PolarHBondContact O-N 3.1Å; E19-H23 VanDerWaalsContact O-N 3.07Å; H23-Y27 PolarHBondContact O-N 3.04Å; H23-Y27 VanDerWaalsContact O-N 3.14Å; H23-T49 PolarHBondContact CD2-OG1 3.44Å; H23-T49 PolarHBondContact CE1-OG1 2.96Å; H23-T49 VanDerWaalsContact CE1-OG1 3.26Å; H23-T49 PolarHBondContact ND1-OG1 3.43Å; H23-T49 PolarHBondContact NE2-OG1 3.13Å; H23-C50 PolarHBondContact CE1-N 2.98Å; H23-C50 PolarHBondContact ND1-N 3.43Å; H23-I59 WeakPolarHBondContact CE1-CD1 3.49Å
24L97.4Very high96Very high1 Ų127.2 Ų27.21%0.00513%0.128CC..Hα-helixtrans-65.5-43.6-179.7179.359.5000111.3S20 V21 I22 L26 Y27 E28 L47 L125 L128 K129S20-L24 VanDerWaalsContact O-CB 3.28Å; S20-L24 WeakPolarHBondContact O-CB 3.35Å; S20-L24 PolarHBondContact O-N 3.33Å; V21-L24 PolarHBondContact O-N 3.29Å; I22-L24 PolarHBondContact O-N 3.04Å; L24-L26 PolarHBondContact O-N 3.31Å; L24-Y27 WeakPolarHBondContact O-CB 3.22Å; L24-Y27 PolarHBondContact O-N 3.08Å; L24-E28 HydrophobicContact CD1-CG 3.79Å; L24-E28 WeakPolarHBondContact CD1-OE1 2.94Å; L24-E28 HydrophobicContact CG-CG 4.2Å; L24-E28 WeakPolarHBondContact O-CG 3.29Å; L24-E28 PolarHBondContact O-N 3Å; L24-L47 HydrophobicContact CD2-CD2 4.18Å; L24-L125 HydrophobicContact CD2-CB 4.25Å; L24-L125 HydrophobicContact CD2-CD2 3.84Å; L24-L125 WeakPolarHBondContact CD2-O 3.33Å; L24-L128 HydrophobicContact CB-CD2 4.11Å; L24-L128 HydrophobicContact CD2-CB 3.84Å; L24-L128 HydrophobicContact CD2-CD2 3.88Å; L24-L128 HydrophobicContact CD2-CG 4.15Å; L24-L128 HydrophobicContact CG-CB 4.46Å; L24-L128 HydrophobicContact CG-CD2 3.93Å; L24-L128 HydrophobicContact CG-CG 4.26Å; L24-K129 HydrophobicContact CD1-CG 3.9Å; L24-K129 HydrophobicContact CD2-CG 3.86Å; L24-K129 HydrophobicContact CG-CG 4.48Å
25Y97.6Very high96.1Very high0 Ų032.1 Ų32.10%017%0.168CC..Hα-helixtrans-61.4-45.4179.1-175.1-127.7000112.4V21 I22 Y27 E28 R29 V78 I80 E94 L96 L128 I131 L197V21-Y25 WeakPolarHBondContact O-CB 3.28Å; V21-Y25 PolarHBondContact O-N 2.88Å; I22-Y25 PolarHBondContact O-N 3.26Å; Y25-Y27 VanDerWaalsContact C-N 3.25Å; Y25-Y27 PolarHBondContact O-N 2.79Å; Y25-E28 PolarHBondContact O-N 3.38Å; Y25-R29 HydrophobicContact CD2-CG 3.79Å; Y25-R29 HydrophobicContact CE2-CG 3.49Å; Y25-R29 VanDerWaalsContact CE2-CG 3.49Å; Y25-R29 WeakPolarHBondContact O-CB 3.06Å; Y25-R29 WeakPolarHBondContact O-CG 3.34Å; Y25-R29 PolarHBondContact O-N 3.47Å; Y25-V78 HydrophobicContact CD1-CB 3.81Å; Y25-V78 HydrophobicContact CD1-CG1 3.71Å; Y25-V78 HydrophobicContact CE1-CB 4.08Å; Y25-V78 HydrophobicContact CE1-CG1 4.12Å; Y25-I80 HydrophobicContact CD1-CD1 4.24Å; Y25-I80 HydrophobicContact CE1-CD1 3.52Å; Y25-I80 HydrophobicContact CE1-CG1 3.86Å; Y25-E94 WeakPolarHBondContact OH-CG 3.31Å; Y25-E94 PolarHBondContact OH-OE1 3.4Å; Y25-L96 HydrophobicContact CD1-CB 3.85Å; Y25-L96 HydrophobicContact CD1-CD2 4.12Å; Y25-L96 HydrophobicContact CD2-CB 4.14Å; Y25-L96 HydrophobicContact CD2-CD2 3.91Å; Y25-L96 HydrophobicContact CE1-CB 3.65Å; Y25-L96 HydrophobicContact CE2-CB 3.95Å; Y25-L96 HydrophobicContact CG-CB 4.09Å; Y25-L96 HydrophobicContact CG-CD2 3.68Å; Y25-L128 HydrophobicContact CD2-CD1 4.3Å; Y25-I131 HydrophobicContact CD2-CD1 3.65Å; Y25-I131 HydrophobicContact CE2-CD1 3.9Å; Y25-L197 HydrophobicContact CE2-CD1 3.73Å; Y25-L197 VanDerWaalsContact OH-CD1 3.22Å; Y25-L197 WeakPolarHBondContact OH-CD1 3.19Å
26L96.9Very high96.2Very high0 Ų033.8 Ų33.80%018%0.18CC..Hα-helixtrans-62.6-33.5177.2-64.3175.3000112.4I22 L24 N30 V31 Y32 F37 I59 W144I22-L26 HydrophobicContact CG2-CD1 3.77Å; I22-L26 HydrophobicContact CG2-CG 4.27Å; I22-L26 VanDerWaalsContact O-CG 3.23Å; I22-L26 WeakPolarHBondContact O-CG 3.45Å; I22-L26 PolarHBondContact O-N 3.44Å; L24-L26 PolarHBondContact O-N 3.31Å; L26-N30 PolarHBondContact O-N 2.96Å; L26-V31 HydrophobicContact CB-CB 4.42Å; L26-V31 HydrophobicContact CD2-CB 3.93Å; L26-V31 HydrophobicContact CD2-CG1 4.01Å; L26-V31 HydrophobicContact CD2-CG2 3.82Å; L26-V31 PolarHBondContact O-N 3.44Å; L26-Y32 HydrophobicContact CD1-CE2 4.25Å; L26-F37 HydrophobicContact CB-CE1 4.48Å; L26-F37 HydrophobicContact CB-CZ 4.21Å; L26-I59 HydrophobicContact CD1-CD1 4.11Å; L26-W144 HydrophobicContact CD1-CD2 4.16Å; L26-W144 HydrophobicContact CD1-CG 4.5Å; L26-W144 HydrophobicContact CD1-CZ2 3.89Å; L26-W144 HydrophobicContact CD2-CB 3.99Å; L26-W144 HydrophobicContact CD2-CD2 3.87Å; L26-W144 HydrophobicContact CD2-CG 3.51Å
27Y96.5Very high96.3Very high32 Ų3231.1 Ų31.113%0.12517%0.17CC..Hα-helixtrans-69.6-53.9174.3174.1-99.7000111.8H23 L24 Y25 R29 N30 R34 F37 K48H23-Y27 PolarHBondContact O-N 3.04Å; H23-Y27 VanDerWaalsContact O-N 3.14Å; L24-Y27 WeakPolarHBondContact O-CB 3.22Å; L24-Y27 PolarHBondContact O-N 3.08Å; Y25-Y27 VanDerWaalsContact C-N 3.25Å; Y25-Y27 PolarHBondContact O-N 2.79Å; Y27-R29 PolarHBondContact O-N 2.65Å; Y27-N30 PolarHBondContact O-N 3.06Å; Y27-R34 HydrophobicContact CE2-CB 4.41Å; Y27-R34 HydrophobicContact CE2-CG 4.13Å; Y27-F37 HydrophobicContact CD2-CB 3.92Å; Y27-F37 AromaticContact CD2-CD1 3.98Å; Y27-F37 HydrophobicContact CD2-CD1 3.98Å; Y27-F37 AromaticContact CD2-CD2 3.78Å; Y27-F37 HydrophobicContact CD2-CD2 3.78Å; Y27-F37 HydrophobicContact CD2-CE1 4.44Å; Y27-F37 HydrophobicContact CD2-CE2 4.23Å; Y27-F37 AromaticContact CD2-CG 3.63Å; Y27-F37 HydrophobicContact CD2-CG 3.63Å; Y27-F37 HydrophobicContact CE2-CB 4.39Å; Y27-F37 HydrophobicContact CG-CD1 4.31Å; Y27-F37 HydrophobicContact CG-CG 4.41Å; Y27-K48 HydrophobicContact CD1-CB 3.87Å; Y27-K48 HydrophobicContact CD1-CG 3.67Å; Y27-K48 HydrophobicContact CD2-CB 3.73Å; Y27-K48 HydrophobicContact CD2-CD 4.48Å; Y27-K48 HydrophobicContact CD2-CG 3.75Å; Y27-K48 HydrophobicContact CE1-CB 4.36Å; Y27-K48 HydrophobicContact CE1-CG 3.65Å; Y27-K48 HydrophobicContact CE2-CB 4.21Å; Y27-K48 HydrophobicContact CE2-CD 4.13Å; Y27-K48 HydrophobicContact CE2-CG 3.7Å; Y27-K48 HydrophobicContact CG-CB 3.53Å; Y27-K48 HydrophobicContact CG-CG 3.73Å
28E96Very high96.3Very high14 Ų1432.9 Ų32.97%0.06518%0.184CC..Hα-helixtrans-65.7-28.8-175-63.4-57.9162.600112.3L24 Y25 N30 I131L24-E28 HydrophobicContact CD1-CG 3.79Å; L24-E28 WeakPolarHBondContact CD1-OE1 2.94Å; L24-E28 HydrophobicContact CG-CG 4.2Å; L24-E28 WeakPolarHBondContact O-CG 3.29Å; L24-E28 PolarHBondContact O-N 3Å; Y25-E28 PolarHBondContact O-N 3.38Å; E28-N30 VanDerWaalsContact C-N 3.34Å; E28-I131 HydrophobicContact CB-CD1 3.85Å; E28-I131 HydrophobicContact CB-CG1 3.84Å
29R95.2Very high96.3Very high8 Ų838 Ų383%0.0321%0.212CC..THydrogen-bonded Turntrans-87.6-0.4174.4-60-54.6-64139.3-8.8114.3Y25 Y27 V31 I80 E94 I131 Q136 L138Y25-R29 HydrophobicContact CD2-CG 3.79Å; Y25-R29 HydrophobicContact CE2-CG 3.49Å; Y25-R29 VanDerWaalsContact CE2-CG 3.49Å; Y25-R29 WeakPolarHBondContact O-CB 3.06Å; Y25-R29 WeakPolarHBondContact O-CG 3.34Å; Y25-R29 PolarHBondContact O-N 3.47Å; Y27-R29 PolarHBondContact O-N 2.65Å; R29-V31 HydrophobicContact CB-CG2 4.1Å; R29-V31 PolarHBondContact O-N 3.17Å; R29-I80 HydrophobicContact CB-CD1 3.8Å; R29-I80 HydrophobicContact CG-CD1 4.01Å; R29-E94 WeakPolarHBondContact CD-OE1 3.43Å; R29-E94 WeakPolarHBondContact CG-OE1 3.28Å; R29-E94 IonicContact CZ-OE1 3.56Å; R29-E94 IonicContact CZ-OE2 3.64Å; R29-E94 IonicContact NE-OE1 2.69Å; R29-E94 PolarHBondContact NE-OE1 3.04Å; R29-E94 IonicContact NE-OE2 3.44Å; R29-E94 PolarHBondContact NE-OE2 3.39Å; R29-E94 IonicContact NH2-OE1 3.53Å; R29-E94 IonicContact NH2-OE2 2.98Å; R29-E94 PolarHBondContact NH2-OE2 3.26Å; R29-I131 HydrophobicContact CG-CD1 4.09Å; R29-Q136 PolarHBondContact NH1-O 2.93Å; R29-Q136 PolarHBondContact NH2-O 3.39Å; R29-L138 HydrophobicContact CB-CD1 4.15Å; R29-L138 WeakPolarHBondContact O-CD1 3.41Å
30N94.2Very high96.1Very high76 Ų7640.1 Ų40.141%0.40622%0.22SC..THydrogen-bonded Turntrans52.139.3-177.6-52.3-81.8000112.8L26 Y27 E28 Y32 R34L26-N30 PolarHBondContact O-N 2.96Å; Y27-N30 PolarHBondContact O-N 3.06Å; E28-N30 VanDerWaalsContact C-N 3.34Å; N30-Y32 PolarHBondContact O-N 2.9Å; N30-R34 PolarHBondContact OD1-NE 2.57Å; N30-R34 VanDerWaalsContact OD1-NE 3.15Å
31V94.9Very high96Very high15 Ų1544.5 Ų44.59%0.09124%0.242CC..SBendtrans-63.2-30.9175.7-179.70000110.7L26 R29 I80 L138L26-V31 HydrophobicContact CB-CB 4.42Å; L26-V31 HydrophobicContact CD2-CB 3.93Å; L26-V31 HydrophobicContact CD2-CG1 4.01Å; L26-V31 HydrophobicContact CD2-CG2 3.82Å; L26-V31 PolarHBondContact O-N 3.44Å; R29-V31 HydrophobicContact CB-CG2 4.1Å; R29-V31 PolarHBondContact O-N 3.17Å; V31-I80 HydrophobicContact CG2-CD1 3.52Å; V31-I80 HydrophobicContact CG2-CG1 4.05Å; V31-L138 HydrophobicContact CG2-CD1 4.48Å
32Y94.6Very high95.7Very high61 Ų6144.6 Ų44.624%0.23924%0.243CC..SBendtrans-122.8156.5169.4-60.8-81.1000110.4L26 N30 F37 V55 W144L26-Y32 HydrophobicContact CD1-CE2 4.25Å; N30-Y32 PolarHBondContact O-N 2.9Å; Y32-F37 HydrophobicContact CD2-CZ 4.43Å; Y32-V55 HydrophobicContact CE1-CG2 3.86Å; Y32-V55 HydrophobicContact CE2-CG1 3.89Å; Y32-V55 HydrophobicContact CE2-CG2 4.15Å; Y32-W144 AromaticContact CE2-CD1 3.99Å; Y32-W144 AromaticContact CE2-NE1 3.68Å; Y32-W144 AromaticContact CZ-NE1 3.89Å; Y32-W144 PolarHBondContact OH-NE1 3.5Å
33P93.8Very high95.5Very high91 Ų9146 Ų4659%0.59125%0.249SC*.  trans-54.5141.3175.2-26.234.5000112.2A35 S36 F37P33-A35 PolarHBondContact O-N 2.95Å; P33-A35 VanDerWaalsContact O-N 3.09Å; P33-S36 VanDerWaalsContact O-CB 3.22Å; P33-S36 WeakPolarHBondContact O-CB 3.31Å; P33-S36 PolarHBondContact O-N 3.15Å; P33-S36 PolarHBondContact O-OG 2.73Å; P33-F37 WeakPolarHBondContact O-CD2 3.39Å
34R94.3Very high95.3Very high137 Ų13749 Ų4952%0.51728%0.282SS..G310 helixtrans-56.6-30.7-179.1-66.6-166.5177.7-164-2.2113.7Y27 N30 S36 F37Y27-R34 HydrophobicContact CE2-CB 4.41Å; Y27-R34 HydrophobicContact CE2-CG 4.13Å; N30-R34 PolarHBondContact OD1-NE 2.57Å; N30-R34 VanDerWaalsContact OD1-NE 3.15Å; R34-S36 PolarHBondContact O-N 3.43Å; R34-F37 PolarHBondContact O-N 3.37Å; R34-F37 VanDerWaalsContact O-N 3.11Å
35A95.5Very high95.2Very high103 Ų10350.5 Ų50.585%0.85129%0.29SS*.G310 helixtrans-63.8-19.4175.800000113.6P33 F37P33-A35 PolarHBondContact O-N 2.95Å; P33-A35 VanDerWaalsContact O-N 3.09Å; A35-F37 PolarHBondContact O-N 3.03Å
36S95.7Very high95.2Very high37 Ų3756.4 Ų56.426%0.25932%0.317SS..G310 helixtrans-79-1.7175.5-55.80000113.1P33 R34 N51P33-S36 VanDerWaalsContact O-CB 3.22Å; P33-S36 WeakPolarHBondContact O-CB 3.31Å; P33-S36 PolarHBondContact O-N 3.15Å; P33-S36 PolarHBondContact O-OG 2.73Å; R34-S36 PolarHBondContact O-N 3.43Å; S36-N51 PolarHBondContact O-N 2.85Å
37F97.6Very high95.2Very high19 Ų1956.7 Ų56.78%0.08332%0.319CS..EExtended strand (participates in β ladder)trans-113.1143.3-178.2-66.2-99.3000112.4L26 Y27 Y32 P33 R34 A35 K48 T49 C50L26-F37 HydrophobicContact CB-CE1 4.48Å; L26-F37 HydrophobicContact CB-CZ 4.21Å; Y27-F37 HydrophobicContact CD2-CB 3.92Å; Y27-F37 AromaticContact CD2-CD1 3.98Å; Y27-F37 HydrophobicContact CD2-CD1 3.98Å; Y27-F37 AromaticContact CD2-CD2 3.78Å; Y27-F37 HydrophobicContact CD2-CD2 3.78Å; Y27-F37 HydrophobicContact CD2-CE1 4.44Å; Y27-F37 HydrophobicContact CD2-CE2 4.23Å; Y27-F37 AromaticContact CD2-CG 3.63Å; Y27-F37 HydrophobicContact CD2-CG 3.63Å; Y27-F37 HydrophobicContact CE2-CB 4.39Å; Y27-F37 HydrophobicContact CG-CD1 4.31Å; Y27-F37 HydrophobicContact CG-CG 4.41Å; Y32-F37 HydrophobicContact CD2-CZ 4.43Å; P33-F37 WeakPolarHBondContact O-CD2 3.39Å; R34-F37 PolarHBondContact O-N 3.37Å; R34-F37 VanDerWaalsContact O-N 3.11Å; A35-F37 PolarHBondContact O-N 3.03Å; F37-K48 HydrophobicContact CB-CB 4.22Å; F37-K48 HydrophobicContact CD1-CB 4.18Å; F37-T49 CarbonylContact C-O 3.58Å; F37-T49 WeakPolarHBondContact CA-O 3.34Å; F37-T49 VanDerWaalsContact CD1-C 3.5Å; F37-C50 HydrophobicContact CD1-CB 4.18Å; F37-C50 HydrophobicContact CE1-CB 3.9Å; F37-C50 HydrophobicContact CZ-CB 4.44Å
38A96.5Very high95.2Very high37 Ų3757.6 Ų57.631%0.30632%0.323SS..EExtended strand (participates in β ladder)trans-114.3157.5174.100000110.9K48 T49 N51A38-K48 WeakPolarHBondContact O-CA 3.49Å; A38-T49 PolarHBondContact N-O 2.79Å; A38-T49 PolarHBondContact O-N 3.3Å; A38-N51 HydrophobicContact CB-CB 4.49Å
39D96Very high95.2Very high112 Ų11258 Ų5860%0.59933%0.326SS*.EExtended strand (participates in β ladder)trans-70.2139.5172-70.4-47.4000111.1K48D39-K48 WeakPolarHBondContact OD1-CE 3.5Å; D39-K48 IonicContact OD1-NZ 2.63Å; D39-K48 PolarHBondContact OD1-NZ 2.81Å; D39-K48 IonicContact OD2-NZ 3.7Å
40F94.2Very high95.2Very high85 Ų8557.6 Ų57.637%0.37333%0.325SS..EExtended strand (participates in β ladder)trans-146.3152.3176.8174.8-113.1000110.2Y16 A42 L47 T49Y16-F40 AromaticContact CE2-CE1 4Å; Y16-F40 HydrophobicContact CE2-CE1 4Å; Y16-F40 AromaticContact CE2-CZ 3.95Å; Y16-F40 HydrophobicContact CE2-CZ 3.95Å; Y16-F40 AromaticContact CZ-CE1 3.89Å; Y16-F40 AromaticContact CZ-CZ 3.88Å; Y16-F40 WeakPolarHBondContact OH-CE1 3.38Å; Y16-F40 WeakPolarHBondContact OH-CZ 3.38Å; F40-A42 HydrophobicContact CD1-CB 4.11Å; F40-A42 HydrophobicContact CE1-CB 3.71Å; F40-L47 PolarHBondContact N-O 2.87Å; F40-L47 PolarHBondContact O-N 2.85Å; F40-T49 HydrophobicContact CB-CG2 3.78Å; F40-T49 HydrophobicContact CG-CG2 4.44Å
41I94.6Very high95.2Very high101 Ų10159 Ų5952%0.51833%0.333SS..EExtended strand (participates in β ladder)trans-108.8119.6177.9-61.3175.6000109.3L45I41-L45 VanDerWaalsContact CA-O 3.31Å; I41-L45 WeakPolarHBondContact CA-O 3.49Å
42A93.3Very high95.2Very high1 Ų161.1 Ų61.11%0.00834%0.344CS..EExtended strand (participates in β ladder)trans-134.9138.6173.100000109.9Y16 F40 G44 L45 L47Y16-A42 HydrophobicContact CE1-CB 4.11Å; Y16-A42 WeakPolarHBondContact OH-CB 3.38Å; F40-A42 HydrophobicContact CD1-CB 4.11Å; F40-A42 HydrophobicContact CE1-CB 3.71Å; A42-G44 PolarHBondContact O-N 3.42Å; A42-G44 VanDerWaalsContact O-N 3.09Å; A42-L45 PolarHBondContact N-O 3.3Å; A42-L45 WeakPolarHBondContact O-CA 3.28Å; A42-L45 WeakPolarHBondContact O-CB 3.4Å; A42-L45 PolarHBondContact O-N 2.96Å; A42-L47 HydrophobicContact CB-CD1 3.74Å; A42-L47 HydrophobicContact CB-CG 4.44Å
43F93.5Very high95.2Very high29 Ų2962.9 Ų62.913%0.12736%0.362CS..THydrogen-bonded Turntrans53.133178.1-53-84.8000113.7L13 Y16 F17 L45 Q118 F121 A122 L125L13-F43 HydrophobicContact CD1-CE1 3.72Å; L13-F43 HydrophobicContact CD1-CZ 4.32Å; L13-F43 HydrophobicContact CG-CE1 4.42Å; Y16-F43 HydrophobicContact CD1-CE1 4.31Å; Y16-F43 AromaticContact CD1-CE2 3.69Å; Y16-F43 HydrophobicContact CD1-CE2 3.69Å; Y16-F43 AromaticContact CD1-CZ 3.49Å; Y16-F43 HydrophobicContact CD1-CZ 3.49Å; Y16-F43 VanDerWaalsContact CD1-CZ 3.49Å; Y16-F43 HydrophobicContact CE1-CD2 4.33Å; Y16-F43 AromaticContact CE1-CE2 3.75Å; Y16-F43 HydrophobicContact CE1-CE2 3.75Å; Y16-F43 AromaticContact CE1-CZ 3.95Å; Y16-F43 HydrophobicContact CE1-CZ 3.95Å; Y16-F43 HydrophobicContact CG-CZ 4.42Å; F17-F43 HydrophobicContact CB-CE2 4.25Å; F17-F43 HydrophobicContact CB-CZ 3.75Å; F17-F43 HydrophobicContact CD2-CE2 4.5Å; F43-L45 VanDerWaalsContact C-N 3.27Å; F43-L45 PolarHBondContact O-N 3.16Å; F43-Q118 HydrophobicContact CD1-CB 4.21Å; F43-Q118 HydrophobicContact CD1-CG 4.24Å; F43-Q118 HydrophobicContact CE1-CG 4.42Å; F43-F121 HydrophobicContact CD1-CB 4.04Å; F43-F121 HydrophobicContact CD1-CD2 4.48Å; F43-F121 HydrophobicContact CE1-CB 4.04Å; F43-F121 AromaticContact CE1-CD2 3.74Å; F43-F121 HydrophobicContact CE1-CD2 3.74Å; F43-F121 HydrophobicContact CE1-CG 4.4Å; F43-F121 HydrophobicContact CG-CB 4.47Å; F43-F121 HydrophobicContact CZ-CB 4.47Å; F43-F121 HydrophobicContact CZ-CD2 4.12Å; F43-A122 HydrophobicContact CB-CB 4.18Å; F43-L125 HydrophobicContact CB-CD1 4.29Å; F43-L125 HydrophobicContact CD2-CD1 3.45Å; F43-L125 VanDerWaalsContact CD2-CD1 3.45Å; F43-L125 HydrophobicContact CE2-CD1 4.1Å; F43-L125 HydrophobicContact CG-CD1 4.1Å
44G93Very high95.3Very high71 Ų7164.5 Ų64.573%0.73237%0.366SS*.THydrogen-bonded Turntrans74.99.6-176.600000115A42A42-G44 PolarHBondContact O-N 3.42Å; A42-G44 VanDerWaalsContact O-N 3.09Å
45L96.2Very high95.3Very high32 Ų3258.5 Ų58.517%0.16835%0.345CS..EExtended strand (participates in β ladder)trans-114.1142.4-176.7-56173.8000111.5I41 A42 F43 L47 A122 L125 I126I41-L45 VanDerWaalsContact CA-O 3.31Å; I41-L45 WeakPolarHBondContact CA-O 3.49Å; A42-L45 PolarHBondContact N-O 3.3Å; A42-L45 WeakPolarHBondContact O-CA 3.28Å; A42-L45 WeakPolarHBondContact O-CB 3.4Å; A42-L45 PolarHBondContact O-N 2.96Å; F43-L45 VanDerWaalsContact C-N 3.27Å; F43-L45 PolarHBondContact O-N 3.16Å; L45-L47 HydrophobicContact CB-CD2 3.83Å; L45-L47 HydrophobicContact CB-CG 4.26Å; L45-L47 HydrophobicContact CD1-CD2 4.46Å; L45-L47 PolarHBondContact O-N 2.96Å; L45-A122 HydrophobicContact CD1-CB 4.01Å; L45-A122 WeakPolarHBondContact CD1-O 3.44Å; L45-A122 HydrophobicContact CG-CB 4.46Å; L45-L125 HydrophobicContact CD1-CB 3.75Å; L45-L125 HydrophobicContact CD1-CD1 4.39Å; L45-I126 HydrophobicContact CD1-CD1 4.4Å; L45-I126 HydrophobicContact CD1-CG1 3.8Å; L45-I126 HydrophobicContact CD2-CD1 3.98Å; L45-I126 HydrophobicContact CD2-CG1 3.87Å
46H96.5Very high95.3Very high123 Ų12358.3 Ų58.357%0.56932%0.324SS*.EExtended strand (participates in β ladder)trans-77.1110.2165.9-69.9-90.8000109.7K129H46-K129 PolarHBondContact O-NZ 3.28Å
47L96.5Very high95.3Very high6 Ų662.1 Ų62.13%0.03134%0.336CS..EExtended strand (participates in β ladder)trans-114.7178.2178.9-54.4-170.7000110.8L24 F40 A42 L45 L125 K129L24-L47 HydrophobicContact CD2-CD2 4.18Å; F40-L47 PolarHBondContact N-O 2.87Å; F40-L47 PolarHBondContact O-N 2.85Å; A42-L47 HydrophobicContact CB-CD1 3.74Å; A42-L47 HydrophobicContact CB-CG 4.44Å; L45-L47 HydrophobicContact CB-CD2 3.83Å; L45-L47 HydrophobicContact CB-CG 4.26Å; L45-L47 HydrophobicContact CD1-CD2 4.46Å; L45-L47 PolarHBondContact O-N 2.96Å; L47-L125 HydrophobicContact CD1-CD1 4.06Å; L47-L125 HydrophobicContact CD1-CD2 4.16Å; L47-K129 HydrophobicContact CD2-CD 4.12Å
48K96.4Very high95.2Very high52 Ų5264.7 Ų64.723%0.22635%0.346CS..EExtended strand (participates in β ladder)trans-114.6135.4174-64.1-66-168.7-177.50109.6Y27 F37 A38 D39Y27-K48 HydrophobicContact CD1-CB 3.87Å; Y27-K48 HydrophobicContact CD1-CG 3.67Å; Y27-K48 HydrophobicContact CD2-CB 3.73Å; Y27-K48 HydrophobicContact CD2-CD 4.48Å; Y27-K48 HydrophobicContact CD2-CG 3.75Å; Y27-K48 HydrophobicContact CE1-CB 4.36Å; Y27-K48 HydrophobicContact CE1-CG 3.65Å; Y27-K48 HydrophobicContact CE2-CB 4.21Å; Y27-K48 HydrophobicContact CE2-CD 4.13Å; Y27-K48 HydrophobicContact CE2-CG 3.7Å; Y27-K48 HydrophobicContact CG-CB 3.53Å; Y27-K48 HydrophobicContact CG-CG 3.73Å; F37-K48 HydrophobicContact CB-CB 4.22Å; F37-K48 HydrophobicContact CD1-CB 4.18Å; A38-K48 WeakPolarHBondContact O-CA 3.49Å; D39-K48 WeakPolarHBondContact OD1-CE 3.5Å; D39-K48 IonicContact OD1-NZ 2.63Å; D39-K48 PolarHBondContact OD1-NZ 2.81Å; D39-K48 IonicContact OD2-NZ 3.7Å
49T96.2Very high95.2Very high21 Ų2162.9 Ų62.913%0.12933%0.331CS..EExtended strand (participates in β ladder)trans-122.6142.2173.6-178.70000109.9H23 F37 A38 F40 N51H23-T49 PolarHBondContact CD2-OG1 3.44Å; H23-T49 PolarHBondContact CE1-OG1 2.96Å; H23-T49 VanDerWaalsContact CE1-OG1 3.26Å; H23-T49 PolarHBondContact ND1-OG1 3.43Å; H23-T49 PolarHBondContact NE2-OG1 3.13Å; F37-T49 CarbonylContact C-O 3.58Å; F37-T49 WeakPolarHBondContact CA-O 3.34Å; F37-T49 VanDerWaalsContact CD1-C 3.5Å; A38-T49 PolarHBondContact N-O 2.79Å; A38-T49 PolarHBondContact O-N 3.3Å; F40-T49 HydrophobicContact CB-CG2 3.78Å; F40-T49 HydrophobicContact CG-CG2 4.44Å; T49-N51 PolarHBondContact O-N 3.17Å
50C95.6Very high95.1Very high0 Ų062.2 Ų62.20%032%0.323CS..EExtended strand (participates in β ladder)trans-71.7126.5178.5-170.20000108.9H23 F37 V55H23-C50 PolarHBondContact CE1-N 2.98Å; H23-C50 PolarHBondContact ND1-N 3.43Å; F37-C50 HydrophobicContact CD1-CB 4.18Å; F37-C50 HydrophobicContact CE1-CB 3.9Å; F37-C50 HydrophobicContact CZ-CB 4.44Å; C50-V55 HydrophobicContact CB-CG1 4.18Å
51N94.6Very high95.1Very high107 Ų10760.6 Ų60.657%0.57232%0.318SS*.  trans-96.7-0.8-179.3-161.541.5000112.8S36 A38 T49 P53S36-N51 PolarHBondContact O-N 2.85Å; A38-N51 HydrophobicContact CB-CB 4.49Å; T49-N51 PolarHBondContact O-N 3.17Å; N51-P53 WeakPolarHBondContact O-CD 3.18Å
52N94.5Very high95.1Very high59 Ų5955.8 Ų55.832%0.31629%0.294SS..  trans-66.4122.6170.2179.3-64.8000108.9D54 V55 K56N52-D54 VanDerWaalsContact C-N 3.33Å; N52-D54 PolarHBondContact O-N 3.26Å; N52-D54 WeakPolarHBondContact OD1-CB 2.97Å; N52-D54 PolarHBondContact OD1-N 2.98Å; N52-V55 HydrophobicContact CB-CB 4.15Å; N52-V55 HydrophobicContact CB-CG2 4Å; N52-V55 PolarHBondContact O-N 3.23Å; N52-V55 PolarHBondContact OD1-N 2.92Å; N52-V55 VanDerWaalsContact OD1-N 3.11Å; N52-K56 VanDerWaalsContact O-CB 3.29Å; N52-K56 WeakPolarHBondContact O-CB 3.49Å; N52-K56 PolarHBondContact O-N 2.88Å
53P95.1Very high95.2Very high97 Ų9755.8 Ų55.863%0.6329%0.294SS*.Hα-helixtrans-59.4-39.1-175.5-26.435.5000114.2N51 K57N51-P53 WeakPolarHBondContact O-CD 3.18Å; P53-K57 VanDerWaalsContact O-CB 3.25Å; P53-K57 WeakPolarHBondContact O-CB 3.26Å; P53-K57 PolarHBondContact O-N 3.07Å
54D95.3Very high95.1Very high125 Ų12557.6 Ų57.667%0.66830%0.303SS*.Hα-helixtrans-71-44.6-177.1-60.4-35.4000110.8N52 K57 Y58N52-D54 VanDerWaalsContact C-N 3.33Å; N52-D54 PolarHBondContact O-N 3.26Å; N52-D54 WeakPolarHBondContact OD1-CB 2.97Å; N52-D54 PolarHBondContact OD1-N 2.98Å; D54-K57 PolarHBondContact O-N 3.37Å; D54-Y58 WeakPolarHBondContact O-CB 3.32Å; D54-Y58 PolarHBondContact O-N 3.02Å
55V95.2Very high95Very high12 Ų1255.6 Ų55.67%0.07328%0.277CS..Hα-helixtrans-64.2-43.6176.4-179.40000110.5Y32 C50 N52 Y58 I59Y32-V55 HydrophobicContact CE1-CG2 3.86Å; Y32-V55 HydrophobicContact CE2-CG1 3.89Å; Y32-V55 HydrophobicContact CE2-CG2 4.15Å; C50-V55 HydrophobicContact CB-CG1 4.18Å; N52-V55 HydrophobicContact CB-CB 4.15Å; N52-V55 HydrophobicContact CB-CG2 4Å; N52-V55 PolarHBondContact O-N 3.23Å; N52-V55 PolarHBondContact OD1-N 2.92Å; N52-V55 VanDerWaalsContact OD1-N 3.11Å; V55-Y58 PolarHBondContact O-N 2.68Å; V55-I59 HydrophobicContact CG1-CD1 3.97Å; V55-I59 VanDerWaalsContact O-CG1 3.32Å; V55-I59 WeakPolarHBondContact O-CG1 3.34Å; V55-I59 PolarHBondContact O-N 2.76Å
56K94.8Very high94.7Very high98 Ų9854.3 Ų54.343%0.42627%0.271SS..Hα-helixtrans-63.3-43.1178.1-173.2174.7-179177.60111.5N52 I59 F60N52-K56 VanDerWaalsContact O-CB 3.29Å; N52-K56 WeakPolarHBondContact O-CB 3.49Å; N52-K56 PolarHBondContact O-N 2.88Å; K56-I59 PolarHBondContact O-N 3.32Å; K56-F60 WeakPolarHBondContact O-CB 3.43Å; K56-F60 PolarHBondContact O-N 3.35Å
57K95.1Very high94.4Very high117 Ų11751.1 Ų51.151%0.50925%0.254SS..Hα-helixtrans-62.2-43.6174.6176.6167173.146.40111.5P53 D54 I59 F60 D61P53-K57 VanDerWaalsContact O-CB 3.25Å; P53-K57 WeakPolarHBondContact O-CB 3.26Å; P53-K57 PolarHBondContact O-N 3.07Å; D54-K57 PolarHBondContact O-N 3.37Å; K57-I59 PolarHBondContact O-N 3.13Å; K57-F60 PolarHBondContact O-N 2.66Å; K57-D61 WeakPolarHBondContact CE-OD2 3.48Å; K57-D61 WeakPolarHBondContact CG-OD2 3.45Å; K57-D61 VanDerWaalsContact NZ-CG 3.26Å; K57-D61 IonicContact NZ-OD1 3.94Å; K57-D61 PolarHBondContact NZ-OD1 2.71Å; K57-D61 IonicContact NZ-OD2 2.66Å; K57-D61 PolarHBondContact NZ-OD2 2.78Å; K57-D61 WeakPolarHBondContact O-CB 3.46Å; K57-D61 PolarHBondContact O-N 3.49Å
58Y96Very high94Very high73 Ų7356.1 Ų56.129%0.28629%0.286SS..Hα-helixtrans-61-44.8178.6179-125000112.4D54 V55 C62 W144 P146 S163D54-Y58 WeakPolarHBondContact O-CB 3.32Å; D54-Y58 PolarHBondContact O-N 3.02Å; V55-Y58 PolarHBondContact O-N 2.68Å; Y58-C62 VanDerWaalsContact O-CB 3.31Å; Y58-C62 WeakPolarHBondContact O-CB 3.39Å; Y58-C62 PolarHBondContact O-N 2.77Å; Y58-W144 AromaticContact CD1-CH2 3.69Å; Y58-W144 HydrophobicContact CD1-CH2 3.69Å; Y58-W144 AromaticContact CD1-CZ2 3.47Å; Y58-W144 HydrophobicContact CD1-CZ2 3.47Å; Y58-W144 VanDerWaalsContact CD1-CZ2 3.47Å; Y58-W144 AromaticContact CE1-CH2 3.6Å; Y58-W144 HydrophobicContact CE1-CH2 3.6Å; Y58-W144 AromaticContact CE1-CZ2 3.63Å; Y58-W144 HydrophobicContact CE1-CZ2 3.63Å; Y58-W144 HydrophobicContact CE1-CZ3 4.1Å; Y58-P146 WeakPolarHBondContact OH-CD 3.36Å; Y58-S163 VanDerWaalsContact CE2-CB 3.46Å; Y58-S163 VanDerWaalsContact CE2-O 3.26Å; Y58-S163 WeakPolarHBondContact CE2-O 3.45Å; Y58-S163 VanDerWaalsContact CZ-O 3.31Å; Y58-S163 PolarHBondContact OH-O 3.08Å
59I96.2Very high93.6Very high0 Ų055.7 Ų55.70%029%0.285CS..Hα-helixtrans-61.9-49.2174.5-66.1167.5000110.2E19 I22 H23 L26 V55 K56 K57 C62 I63 W144E19-I59 HydrophobicContact CG-CG2 3.88Å; I22-I59 HydrophobicContact CB-CG2 4.48Å; I22-I59 HydrophobicContact CD1-CG2 4.11Å; I22-I59 HydrophobicContact CG2-CD1 3.79Å; I22-I59 HydrophobicContact CG2-CG1 3.87Å; I22-I59 HydrophobicContact CG2-CG2 4.37Å; H23-I59 WeakPolarHBondContact CE1-CD1 3.49Å; L26-I59 HydrophobicContact CD1-CD1 4.11Å; V55-I59 HydrophobicContact CG1-CD1 3.97Å; V55-I59 VanDerWaalsContact O-CG1 3.32Å; V55-I59 WeakPolarHBondContact O-CG1 3.34Å; V55-I59 PolarHBondContact O-N 2.76Å; K56-I59 PolarHBondContact O-N 3.32Å; K57-I59 PolarHBondContact O-N 3.13Å; I59-C62 WeakPolarHBondContact O-CB 3.48Å; I59-C62 PolarHBondContact O-N 3.22Å; I59-I63 HydrophobicContact CG2-CG1 4.45Å; I59-I63 VanDerWaalsContact O-CG1 3.31Å; I59-I63 WeakPolarHBondContact O-CG1 3.33Å; I59-I63 PolarHBondContact O-N 3.44Å; I59-W144 HydrophobicContact CD1-CH2 4.43Å; I59-W144 HydrophobicContact CD1-CZ2 4.15Å; I59-W144 HydrophobicContact CG1-CH2 3.6Å; I59-W144 HydrophobicContact CG1-CZ2 3.63Å
60F94.6Very high93.3Very high97 Ų9755 Ų5543%0.42528%0.281SS..Hα-helixtrans-57.7-52.8179.5177.2-98000111.8K56 K57 C62 I63 E64K56-F60 WeakPolarHBondContact O-CB 3.43Å; K56-F60 PolarHBondContact O-N 3.35Å; K57-F60 PolarHBondContact O-N 2.66Å; F60-C62 VanDerWaalsContact C-N 3.29Å; F60-C62 PolarHBondContact O-N 2.97Å; F60-I63 PolarHBondContact O-N 3.21Å; F60-I63 VanDerWaalsContact O-N 3.08Å; F60-E64 HydrophobicContact CD1-CG 3.81Å; F60-E64 HydrophobicContact CD2-CG 4.14Å; F60-E64 HydrophobicContact CE1-CG 3.41Å; F60-E64 VanDerWaalsContact CE1-CG 3.41Å; F60-E64 HydrophobicContact CE2-CG 3.76Å; F60-E64 VanDerWaalsContact CE2-OE1 3.23Å; F60-E64 WeakPolarHBondContact CE2-OE1 3.31Å; F60-E64 HydrophobicContact CG-CG 4.17Å; F60-E64 VanDerWaalsContact CZ-CD 3.45Å; F60-E64 HydrophobicContact CZ-CG 3.38Å; F60-E64 WeakPolarHBondContact CZ-OE1 3.34Å; F60-E64 WeakPolarHBondContact O-CB 3.28Å; F60-E64 VanDerWaalsContact O-CG 3.32Å; F60-E64 WeakPolarHBondContact O-CG 3.34Å; F60-E64 PolarHBondContact O-N 3.07Å
61D94.2Very high93Very high51 Ų5156.9 Ų56.927%0.27329%0.294SS..Hα-helixtrans-59.7-39.6-179.6-67.7-15.8000111.4K57 S65K57-D61 WeakPolarHBondContact CE-OD2 3.48Å; K57-D61 WeakPolarHBondContact CG-OD2 3.45Å; K57-D61 VanDerWaalsContact NZ-CG 3.26Å; K57-D61 IonicContact NZ-OD1 3.94Å; K57-D61 PolarHBondContact NZ-OD1 2.71Å; K57-D61 IonicContact NZ-OD2 2.66Å; K57-D61 PolarHBondContact NZ-OD2 2.78Å; K57-D61 WeakPolarHBondContact O-CB 3.46Å; K57-D61 PolarHBondContact O-N 3.49Å; D61-S65 VanDerWaalsContact O-CB 3.25Å; D61-S65 WeakPolarHBondContact O-CB 3.29Å; D61-S65 PolarHBondContact O-N 3.39Å; D61-S65 PolarHBondContact O-OG 3.01Å
62C94.1Very high92.8Very high0 Ų054.5 Ų54.50%028%0.279CS..Hα-helixtrans-57.4-52.1172.5174.50000111.3Y58 I59 F60 S65 L66 P146Y58-C62 VanDerWaalsContact O-CB 3.31Å; Y58-C62 WeakPolarHBondContact O-CB 3.39Å; Y58-C62 PolarHBondContact O-N 2.77Å; I59-C62 WeakPolarHBondContact O-CB 3.48Å; I59-C62 PolarHBondContact O-N 3.22Å; F60-C62 VanDerWaalsContact C-N 3.29Å; F60-C62 PolarHBondContact O-N 2.97Å; C62-S65 PolarHBondContact O-N 3.42Å; C62-S65 PolarHBondContact O-OG 3Å; C62-L66 WeakPolarHBondContact O-CG 3.45Å; C62-L66 PolarHBondContact O-N 3.25Å; C62-P146 HydrophobicContact CB-CG 4.43Å
63I94.5Very high92.7Very high2 Ų251.9 Ų51.91%0.0127%0.265CS..Hα-helixtrans-67.8-42-177.4-61.8-61.9000112.1I18 E19 I22 I59 F60 S65 L66 R67I18-I63 HydrophobicContact CB-CD1 3.91Å; I18-I63 HydrophobicContact CG2-CD1 3.49Å; I18-I63 VanDerWaalsContact CG2-CD1 3.49Å; E19-I63 HydrophobicContact CB-CG1 4.1Å; I22-I63 HydrophobicContact CD1-CD1 3.89Å; I22-I63 HydrophobicContact CD1-CG1 4.4Å; I59-I63 HydrophobicContact CG2-CG1 4.45Å; I59-I63 VanDerWaalsContact O-CG1 3.31Å; I59-I63 WeakPolarHBondContact O-CG1 3.33Å; I59-I63 PolarHBondContact O-N 3.44Å; F60-I63 PolarHBondContact O-N 3.21Å; F60-I63 VanDerWaalsContact O-N 3.08Å; I63-S65 VanDerWaalsContact C-N 3.3Å; I63-S65 PolarHBondContact O-N 2.96Å; I63-L66 PolarHBondContact O-N 2.89Å; I63-R67 PolarHBondContact O-N 3.08Å
64E92.1Very high92.6Very high67 Ų6749.3 Ų49.331%0.31325%0.246SC..Hα-helixtrans-57.7-44.2174.3-70.9-59.8126.900111.2F60 L66 R67 P68F60-E64 HydrophobicContact CD1-CG 3.81Å; F60-E64 HydrophobicContact CD2-CG 4.14Å; F60-E64 HydrophobicContact CE1-CG 3.41Å; F60-E64 VanDerWaalsContact CE1-CG 3.41Å; F60-E64 HydrophobicContact CE2-CG 3.76Å; F60-E64 VanDerWaalsContact CE2-OE1 3.23Å; F60-E64 WeakPolarHBondContact CE2-OE1 3.31Å; F60-E64 HydrophobicContact CG-CG 4.17Å; F60-E64 VanDerWaalsContact CZ-CD 3.45Å; F60-E64 HydrophobicContact CZ-CG 3.38Å; F60-E64 WeakPolarHBondContact CZ-OE1 3.34Å; F60-E64 WeakPolarHBondContact O-CB 3.28Å; F60-E64 VanDerWaalsContact O-CG 3.32Å; F60-E64 WeakPolarHBondContact O-CG 3.34Å; F60-E64 PolarHBondContact O-N 3.07Å; E64-L66 VanDerWaalsContact C-N 3.29Å; E64-L66 PolarHBondContact O-N 3.4Å; E64-R67 PolarHBondContact O-N 3.35Å; E64-R67 IonicContact OE1-CZ 2.67Å; E64-R67 IonicContact OE1-NH1 2.76Å; E64-R67 PolarHBondContact OE1-NH1 3.2Å; E64-R67 IonicContact OE1-NH2 3.8Å; E64-R67 PolarHBondContact OE1-NH2 3.28Å; E64-R67 IonicContact OE2-CZ 3.36Å; E64-R67 IonicContact OE2-NH1 2.68Å; E64-R67 PolarHBondContact OE2-NH1 2.89Å; E64-R67 IonicContact OE2-NH2 3.12Å; E64-P68 WeakPolarHBondContact O-CD 3.32Å
65S91.1Very high92.6Very high29 Ų2944.4 Ų44.420%0.20322%0.219CC..Hα-helixtrans-67.5-29-17974.50000113.5D61 C62 I63 W164D61-S65 VanDerWaalsContact O-CB 3.25Å; D61-S65 WeakPolarHBondContact O-CB 3.29Å; D61-S65 PolarHBondContact O-N 3.39Å; D61-S65 PolarHBondContact O-OG 3.01Å; C62-S65 PolarHBondContact O-N 3.42Å; C62-S65 PolarHBondContact O-OG 3Å; I63-S65 VanDerWaalsContact C-N 3.3Å; I63-S65 PolarHBondContact O-N 2.96Å; S65-W164 PolarHBondContact OG-NE1 3.44Å
66L90.4Very high92.6Very high5 Ų543.9 Ų43.93%0.02622%0.216CC..Hα-helixtrans-85.4-24.9179.4-69.8173.3000113.2C62 I63 E64 P68 Q69 I70 I73 F76 V148 F150 W164C62-L66 WeakPolarHBondContact O-CG 3.45Å; C62-L66 PolarHBondContact O-N 3.25Å; I63-L66 PolarHBondContact O-N 2.89Å; E64-L66 VanDerWaalsContact C-N 3.29Å; E64-L66 PolarHBondContact O-N 3.4Å; L66-P68 VanDerWaalsContact C-CD 3.48Å; L66-Q69 CarbonylContact O-C 3.55Å; L66-Q69 PolarHBondContact O-N 3Å; L66-I70 PolarHBondContact O-N 3.23Å; L66-I70 VanDerWaalsContact O-N 3.11Å; L66-I73 HydrophobicContact CB-CD1 4.04Å; L66-I73 HydrophobicContact CD1-CD1 4.46Å; L66-I73 HydrophobicContact CD2-CD1 3.96Å; L66-I73 HydrophobicContact CG-CD1 4.38Å; L66-F76 HydrophobicContact CD1-CD2 3.79Å; L66-F76 HydrophobicContact CD1-CE2 3.57Å; L66-V148 HydrophobicContact CD1-CG2 3.92Å; L66-V148 HydrophobicContact CD2-CB 4.39Å; L66-V148 HydrophobicContact CD2-CG1 4.04Å; L66-V148 HydrophobicContact CD2-CG2 3.83Å; L66-F150 HydrophobicContact CD2-CE1 4.47Å; L66-F150 HydrophobicContact CD2-CZ 3.92Å; L66-W164 HydrophobicContact CD2-CD2 4.05Å; L66-W164 HydrophobicContact CD2-CG 4.1Å; L66-W164 HydrophobicContact CD2-CZ2 4.21Å; L66-W164 HydrophobicContact CG-CG 4.43Å
67R89.5Confident92.7Very high56 Ų5639.6 Ų39.621%0.21120%0.197CC..G310 helixtrans-53.8-43.6-173.2-170.3176.9-57.51233.1114.3N12 S15 I63 E64 Q69 I70N12-R67 WeakPolarHBondContact OD1-CD 3.47Å; S15-R67 PolarHBondContact OG-NE 2.85Å; I63-R67 PolarHBondContact O-N 3.08Å; E64-R67 PolarHBondContact O-N 3.35Å; E64-R67 IonicContact OE1-CZ 2.67Å; E64-R67 IonicContact OE1-NH1 2.76Å; E64-R67 PolarHBondContact OE1-NH1 3.2Å; E64-R67 IonicContact OE1-NH2 3.8Å; E64-R67 PolarHBondContact OE1-NH2 3.28Å; E64-R67 IonicContact OE2-CZ 3.36Å; E64-R67 IonicContact OE2-NH1 2.68Å; E64-R67 PolarHBondContact OE2-NH1 2.89Å; E64-R67 IonicContact OE2-NH2 3.12Å; R67-Q69 PolarHBondContact O-N 3.11Å; R67-I70 PolarHBondContact O-N 3.45Å
68P87.6Confident92.8Very high110 Ų11034 Ų3471%0.71417%0.173SC*.G310 helixtrans-63.6-24.1179.1-22.734.8000114.2E64 L66E64-P68 WeakPolarHBondContact O-CD 3.32Å; L66-P68 VanDerWaalsContact C-CD 3.48Å
69Q88.3Confident92.7Very high44 Ų4430.6 Ų30.621%0.20616%0.159CC..G310 helixtrans-110.611.9-175.1-65.9174.2-27.800112.2L66 R67 S71 E72 I73 F150 N155L66-Q69 CarbonylContact O-C 3.55Å; L66-Q69 PolarHBondContact O-N 3Å; R67-Q69 PolarHBondContact O-N 3.11Å; Q69-S71 PolarHBondContact O-N 2.91Å; Q69-S71 VanDerWaalsContact O-N 3.08Å; Q69-E72 WeakPolarHBondContact O-CB 3.42Å; Q69-E72 PolarHBondContact O-N 2.94Å; Q69-I73 PolarHBondContact O-N 3.28Å; Q69-F150 HydrophobicContact CB-CD1 4.44Å; Q69-F150 HydrophobicContact CB-CE1 3.78Å; Q69-N155 PolarHBondContact NE2-OD1 3.35Å
70I89.9Confident92.7Very high6 Ų630.6 Ų30.63%0.03116%0.159CC..G310 helixtrans-60.4-28.1-170.8-157.4152.7000113.3I14 S15 I18 L66 R67 E72 L103 I108I14-I70 HydrophobicContact CB-CD1 3.9Å; I14-I70 HydrophobicContact CG2-CD1 3.67Å; I14-I70 HydrophobicContact CG2-CG1 4.08Å; S15-I70 WeakPolarHBondContact OG-CD1 3.39Å; I18-I70 HydrophobicContact CD1-CD1 4.29Å; L66-I70 PolarHBondContact O-N 3.23Å; L66-I70 VanDerWaalsContact O-N 3.11Å; R67-I70 PolarHBondContact O-N 3.45Å; I70-E72 PolarHBondContact O-N 3.09Å; I70-L103 VanDerWaalsContact O-CD2 3.29Å; I70-L103 WeakPolarHBondContact O-CD2 3.34Å; I70-I108 HydrophobicContact CG2-CD1 4.19Å; I70-I108 HydrophobicContact CG2-CG2 3.96Å
71S89.3Confident92.6Very high40 Ų4027.2 Ų27.228%0.2814%0.144SC..G310 helixtrans-69-16.7174.653.60000114.6Q69Q69-S71 PolarHBondContact O-N 2.91Å; Q69-S71 VanDerWaalsContact O-N 3.08Å
72E90.4Very high92.4Very high57 Ų5726 Ų2627%0.26614%0.14SC..G310 helixtrans-105.8-5.5-175.6-59.3176.7127.800112Q69 I70 D74 F150 C151 N155Q69-E72 WeakPolarHBondContact O-CB 3.42Å; Q69-E72 PolarHBondContact O-N 2.94Å; I70-E72 PolarHBondContact O-N 3.09Å; E72-D74 PolarHBondContact O-N 2.84Å; E72-F150 HydrophobicContact CB-CD1 4.23Å; E72-F150 CarbonylContact O-C 3.43Å; E72-F150 WeakPolarHBondContact O-CA 3.42Å; E72-C151 PolarHBondContact O-N 2.66Å; E72-C151 PolarHBondContact O-SG 2.65Å; E72-N155 PolarHBondContact OE1-ND2 2.8Å; E72-N155 PolarHBondContact OE2-ND2 2.81Å
73I92.2Very high92Very high4 Ų430.3 Ų30.32%0.02116%0.162CC..EExtended strand (participates in β ladder)trans-77.9119.2174.5-60.4173.9000108.1L66 Q69 F76 F100 V148 F150L66-I73 HydrophobicContact CB-CD1 4.04Å; L66-I73 HydrophobicContact CD1-CD1 4.46Å; L66-I73 HydrophobicContact CD2-CD1 3.96Å; L66-I73 HydrophobicContact CG-CD1 4.38Å; Q69-I73 PolarHBondContact O-N 3.28Å; I73-F76 HydrophobicContact CG2-CB 4.34Å; I73-F100 HydrophobicContact CG2-CD2 4.15Å; I73-F100 HydrophobicContact CG2-CE2 4.32Å; I73-V148 HydrophobicContact CD1-CG1 4.16Å; I73-V148 HydrophobicContact CG1-CG1 3.95Å; I73-V148 HydrophobicContact CG2-CG1 4.02Å; I73-F150 HydrophobicContact CD1-CE1 4.26Å; I73-F150 HydrophobicContact CG1-CD1 3.82Å; I73-F150 HydrophobicContact CG1-CE1 3.53Å; I73-F150 HydrophobicContact CG1-CZ 4.43Å
74D93.5Very high91.2Very high43 Ų4332.2 Ų32.223%0.2318%0.176CC..EExtended strand (participates in β ladder)trans-99.4-17.8169.259.23000111.6E72 Q99 F100 H149 C151E72-D74 PolarHBondContact O-N 2.84Å; D74-Q99 CarbonylContact O-C 3.51Å; D74-Q99 WeakPolarHBondContact O-CA 3.37Å; D74-Q99 WeakPolarHBondContact O-CG 3.38Å; D74-F100 PolarHBondContact O-N 3.41Å; D74-H149 PolarHBondContact N-O 2.84Å; D74-H149 VanDerWaalsContact OD1-C 3.23Å; D74-H149 WeakPolarHBondContact OD1-CB 3.46Å; D74-H149 IonicContact OD1-CE1 3.29Å; D74-H149 IonicContact OD1-CG 2.88Å; D74-H149 IonicContact OD1-ND1 3.67Å; D74-H149 PolarHBondContact OD1-ND1 2.8Å; D74-H149 IonicContact OD2-CE1 2.67Å; D74-H149 PolarHBondContact OD2-CE1 3.35Å; D74-H149 VanDerWaalsContact OD2-CE1 3.29Å; D74-H149 IonicContact OD2-ND1 3.69Å; D74-H149 PolarHBondContact OD2-ND1 3.31Å; D74-C151 HydrophobicContact CB-CB 4.37Å
75E94.7Very high90.1Very high22 Ų2234.4 Ų34.410%0.10321%0.205CC..EExtended strand (participates in β ladder)trans-151129.5177.7-159.1173.999.300112.7R77 V97 L98 Q99 V148 H149 I167E75-R77 HydrophobicContact CG-CG 4.37Å; E75-R77 IonicContact OE1-CZ 3.05Å; E75-R77 IonicContact OE1-NE 2.65Å; E75-R77 PolarHBondContact OE1-NE 3.18Å; E75-R77 IonicContact OE1-NH2 2.66Å; E75-R77 PolarHBondContact OE1-NH2 3.38Å; E75-R77 IonicContact OE2-NH2 3.01Å; E75-V97 HydrophobicContact CG-CG1 3.68Å; E75-L98 WeakPolarHBondContact CA-O 3.21Å; E75-Q99 PolarHBondContact OE2-NE2 3.11Å; E75-V148 CarbonylContact O-C 3.48Å; E75-V148 WeakPolarHBondContact O-CA 3.33Å; E75-H149 HydrophobicContact CB-CB 3.94Å; E75-H149 PolarHBondContact O-N 2.61Å; E75-I167 HydrophobicContact CB-CD1 4.46Å; E75-I167 HydrophobicContact CG-CD1 4.33Å; E75-I167 WeakPolarHBondContact OE1-CD1 3.36Å
76F96Very high89.2Confident0 Ų034.6 Ų34.60%021%0.206CC..EExtended strand (participates in β ladder)trans-123.1135169.2179.5-91.1000109I18 I22 L66 I73 V78 L98 P146 W147 V148I18-F76 HydrophobicContact CG2-CD1 3.71Å; I18-F76 HydrophobicContact CG2-CE1 3.51Å; I18-F76 HydrophobicContact CG2-CE2 4.41Å; I18-F76 HydrophobicContact CG2-CG 4.24Å; I18-F76 HydrophobicContact CG2-CZ 3.91Å; I22-F76 HydrophobicContact CD1-CE1 4.06Å; I22-F76 HydrophobicContact CD1-CZ 3.84Å; I22-F76 HydrophobicContact CG1-CE1 4.08Å; I22-F76 HydrophobicContact CG1-CZ 4.32Å; L66-F76 HydrophobicContact CD1-CD2 3.79Å; L66-F76 HydrophobicContact CD1-CE2 3.57Å; I73-F76 HydrophobicContact CG2-CB 4.34Å; F76-V78 HydrophobicContact CD1-CG2 4.47Å; F76-V78 HydrophobicContact CE1-CG2 3.7Å; F76-L98 HydrophobicContact CB-CB 4.36Å; F76-L98 HydrophobicContact CD1-CD1 4.45Å; F76-L98 PolarHBondContact N-O 2.74Å; F76-L98 PolarHBondContact O-N 2.95Å; F76-P146 HydrophobicContact CE2-CB 3.85Å; F76-P146 HydrophobicContact CZ-CB 3.67Å; F76-W147 CarbonylContact C-O 3.6Å; F76-W147 WeakPolarHBondContact CA-O 3.42Å; F76-V148 HydrophobicContact CD2-CG2 3.65Å; F76-V148 HydrophobicContact CE2-CG2 3.99Å
77R96.1Very high87.9Confident9 Ų939.4 Ų39.43%0.03424%0.238CC..EExtended strand (participates in β ladder)trans-126139.6179-54.5-176.2178.8-134.7-0.5111.1E75 V79 L96 V97 P146 W147 I167 T175 Y200E75-R77 HydrophobicContact CG-CG 4.37Å; E75-R77 IonicContact OE1-CZ 3.05Å; E75-R77 IonicContact OE1-NE 2.65Å; E75-R77 PolarHBondContact OE1-NE 3.18Å; E75-R77 IonicContact OE1-NH2 2.66Å; E75-R77 PolarHBondContact OE1-NH2 3.38Å; E75-R77 IonicContact OE2-NH2 3.01Å; R77-V79 HydrophobicContact CB-CG2 3.79Å; R77-L96 CarbonylContact C-O 3.57Å; R77-L96 VanDerWaalsContact CA-O 3.23Å; R77-L96 WeakPolarHBondContact CA-O 3.35Å; R77-V97 HydrophobicContact CG-CB 4.46Å; R77-V97 HydrophobicContact CG-CG1 4.2Å; R77-V97 HydrophobicContact CG-CG2 4.05Å; R77-P146 CarbonylContact O-C 3.46Å; R77-P146 VanDerWaalsContact O-CA 3.27Å; R77-P146 WeakPolarHBondContact O-CA 3.27Å; R77-W147 HydrophobicContact CB-CB 4.23Å; R77-W147 PolarHBondContact N-O 2.87Å; R77-W147 PolarHBondContact O-N 3.09Å; R77-I167 HydrophobicContact CG-CD1 3.9Å; R77-T175 VanDerWaalsContact NH1-CG2 3.26Å; R77-Y200 PolarHBondContact NH1-OH 3.15Å
78V97.4Very high86.8Confident0 Ų047.2 Ų47.20%027%0.269CS..EExtended strand (participates in β ladder)trans-100.9103.6161.2-167.50000107I22 Y25 F76 S95 L96 W144I22-V78 HydrophobicContact CB-CG2 4.46Å; I22-V78 HydrophobicContact CG1-CG2 3.66Å; Y25-V78 HydrophobicContact CD1-CB 3.81Å; Y25-V78 HydrophobicContact CD1-CG1 3.71Å; Y25-V78 HydrophobicContact CE1-CB 4.08Å; Y25-V78 HydrophobicContact CE1-CG1 4.12Å; F76-V78 HydrophobicContact CD1-CG2 4.47Å; F76-V78 HydrophobicContact CE1-CG2 3.7Å; V78-S95 WeakPolarHBondContact O-CA 3.47Å; V78-L96 HydrophobicContact CB-CB 4.38Å; V78-L96 PolarHBondContact N-O 3.33Å; V78-L96 PolarHBondContact O-N 3.43Å; V78-W144 HydrophobicContact CG1-CD2 4.48Å; V78-W144 HydrophobicContact CG1-CE3 3.75Å; V78-W144 HydrophobicContact CG1-CZ3 4.29Å
79V95Very high85.8Confident0 Ų047.1 Ų47.10%026%0.259CS..EExtended strand (participates in β ladder)trans-97.2118-174.4-1730000109.1R77 K81 P92 W144 E145 W147R77-V79 HydrophobicContact CB-CG2 3.79Å; V79-K81 HydrophobicContact CG1-CG 4.07Å; V79-P92 HydrophobicContact CG1-CB 3.81Å; V79-P92 HydrophobicContact CG1-CG 4.2Å; V79-W144 CarbonylContact O-C 3.6Å; V79-W144 WeakPolarHBondContact O-CA 3.31Å; V79-W144 WeakPolarHBondContact O-CB 3.22Å; V79-E145 WeakPolarHBondContact CB-O 3.07Å; V79-E145 PolarHBondContact N-O 3.33Å; V79-E145 PolarHBondContact O-N 3.27Å; V79-W147 HydrophobicContact CB-CD2 4.34Å; V79-W147 HydrophobicContact CG1-CH2 4.4Å; V79-W147 HydrophobicContact CG1-CZ2 4.17Å; V79-W147 HydrophobicContact CG2-CB 4.21Å; V79-W147 HydrophobicContact CG2-CD2 3.49Å; V79-W147 VanDerWaalsContact CG2-CD2 3.49Å; V79-W147 HydrophobicContact CG2-CE3 3.79Å; V79-W147 HydrophobicContact CG2-CG 3.67Å; V79-W147 HydrophobicContact CG2-CZ2 4.43Å; V79-W147 HydrophobicContact CG2-CZ3 4.36Å
80I95.3Very high85.2Confident0 Ų046.2 Ų46.20%026%0.258CS..EExtended strand (participates in β ladder)trans-90.1132171.4-66.1174.2000108.1Y25 R29 V31 V93 E94 L138 T142 T143 W144Y25-I80 HydrophobicContact CD1-CD1 4.24Å; Y25-I80 HydrophobicContact CE1-CD1 3.52Å; Y25-I80 HydrophobicContact CE1-CG1 3.86Å; R29-I80 HydrophobicContact CB-CD1 3.8Å; R29-I80 HydrophobicContact CG-CD1 4.01Å; V31-I80 HydrophobicContact CG2-CD1 3.52Å; V31-I80 HydrophobicContact CG2-CG1 4.05Å; I80-V93 PolarHBondContact O-N 3.07Å; I80-E94 HydrophobicContact CB-CG 3.99Å; I80-E94 HydrophobicContact CD1-CG 4.3Å; I80-E94 WeakPolarHBondContact CD1-OE1 3.35Å; I80-E94 PolarHBondContact N-O 2.92Å; I80-E94 PolarHBondContact O-N 3.19Å; I80-L138 HydrophobicContact CD1-CD1 4.32Å; I80-L138 HydrophobicContact CG2-CD1 3.94Å; I80-T142 HydrophobicContact CG2-CG2 3.82Å; I80-T143 CarbonylContact C-O 3.53Å; I80-T143 WeakPolarHBondContact CA-O 3.25Å; I80-W144 HydrophobicContact CG1-CB 4.33Å
81K92.4Very high85Confident26 Ų2652.9 Ų52.911%0.11329%0.286CS..EExtended strand (participates in β ladder)trans-124.9148.2-176.7-58.9169.668179.30110.2V79 S90 K91 T142 T143 E145V79-K81 HydrophobicContact CG1-CG 4.07Å; K81-S90 WeakPolarHBondContact CB-OG 3.48Å; K81-S90 WeakPolarHBondContact CE-O 3.32Å; K81-S90 WeakPolarHBondContact CE-OG 3.33Å; K81-K91 VanDerWaalsContact CA-O 3.31Å; K81-K91 WeakPolarHBondContact CA-O 3.26Å; K81-T142 CarbonylContact O-C 3.56Å; K81-T142 VanDerWaalsContact O-CA 3.25Å; K81-T142 WeakPolarHBondContact O-CA 3.39Å; K81-T142 WeakPolarHBondContact O-CB 3.32Å; K81-T143 HydrophobicContact CB-CG2 4.04Å; K81-T143 PolarHBondContact N-O 3.26Å; K81-T143 PolarHBondContact O-N 3.46Å; K81-E145 VanDerWaalsContact CD-CD 3.5Å; K81-E145 HydrophobicContact CD-CG 4.12Å; K81-E145 VanDerWaalsContact CD-OE2 3.32Å; K81-E145 WeakPolarHBondContact CD-OE2 3.43Å; K81-E145 IonicContact NZ-OE1 2.7Å; K81-E145 PolarHBondContact NZ-OE1 3.03Å; K81-E145 IonicContact NZ-OE2 2.85Å; K81-E145 PolarHBondContact NZ-OE2 3.37Å
82S90.5Very high85Confident26 Ų2652.1 Ų52.118%0.18228%0.28CS..EExtended strand (participates in β ladder)trans-69.2140.1169.457.60000110.6S90 K91S82-S90 WeakPolarHBondContact O-CA 3.44Å; S82-S90 WeakPolarHBondContact O-CB 3.23Å; S82-S90 PolarHBondContact O-OG 3.01Å; S82-K91 PolarHBondContact N-O 3.36Å; S82-K91 VanDerWaalsContact N-O 3.13Å
83I86.5Confident85.1Confident90 Ų9050.8 Ų50.846%0.46228%0.276SS..  trans-81.9115.5166.8-59.8-178.8000106.9E141 T143I83-E141 HydrophobicContact CB-CB 4.25Å; I83-E141 HydrophobicContact CD1-CB 4.18Å; I83-E141 HydrophobicContact CG1-CB 4.49Å; I83-E141 PolarHBondContact N-O 3.33Å; I83-T143 HydrophobicContact CG1-CG2 4.17Å
84S78.1Confident85.2Confident42 Ų4250.7 Ų50.729%0.29428%0.276SS..  trans-110.5157.4167.9-178.30000109.4S86 E89S84-S86 PolarHBondContact O-N 2.63Å; S84-S86 VanDerWaalsContact O-N 3.15Å; S84-S86 PolarHBondContact OG-N 2.77Å; S84-E89 PolarHBondContact OG-OE2 3.44Å
85A68.5Low85.3Confident113 Ų11348.6 Ų48.693%0.93427%0.265SS*.SBendtrans-58.1-23.4172.100000112.6
86S71.2Confident85.4Confident33 Ų3347.6 Ų47.623%0.23126%0.26CS..SBendtrans-107.7122.5173.1-179.90000110.6S84 Y88 E89S84-S86 PolarHBondContact O-N 2.63Å; S84-S86 VanDerWaalsContact O-N 3.15Å; S84-S86 PolarHBondContact OG-N 2.77Å; S86-Y88 PolarHBondContact O-N 3.27Å; S86-Y88 VanDerWaalsContact O-N 3.15Å; S86-E89 WeakPolarHBondContact O-CB 3.42Å; S86-E89 PolarHBondContact O-N 2.93Å
87P63Low85.4Confident107 Ų10747.6 Ų47.670%0.69526%0.26SS*.G310 helixtrans-56.3-31.2175.4-24.432.6000113.2E89 S90P87-E89 PolarHBondContact O-N 2.83Å; P87-S90 PolarHBondContact O-N 3.08Å
88Y66.5Low85.5Confident219 Ų21947.1 Ų47.186%0.85926%0.258SS*.G310 helixtrans-70.6-12.4177.8-55-74.3000113.3S86S86-Y88 PolarHBondContact O-N 3.27Å; S86-Y88 VanDerWaalsContact O-N 3.15Å
89E67.3Low85.5Confident109 Ų10949 Ų4951%0.50927%0.267SS..G310 helixtrans-102.3-4.3177.6-67.1176.3-17500113.2S84 S86 P87 K91S84-E89 PolarHBondContact OG-OE2 3.44Å; S86-E89 WeakPolarHBondContact O-CB 3.42Å; S86-E89 PolarHBondContact O-N 2.93Å; P87-E89 PolarHBondContact O-N 2.83Å; E89-K91 WeakPolarHBondContact O-CG 3.42Å; E89-K91 PolarHBondContact O-N 3.32Å
90S76.5Confident85.5Confident24 Ų2449.4 Ų49.417%0.16827%0.269CS..  trans-67.7101.1176.2-173.60000109.2K81 S82 P87K81-S90 WeakPolarHBondContact CB-OG 3.48Å; K81-S90 WeakPolarHBondContact CE-O 3.32Å; K81-S90 WeakPolarHBondContact CE-OG 3.33Å; S82-S90 WeakPolarHBondContact O-CA 3.44Å; S82-S90 WeakPolarHBondContact O-CB 3.23Å; S82-S90 PolarHBondContact O-OG 3.01Å; P87-S90 PolarHBondContact O-N 3.08Å
91K84.1Confident85.3Confident146 Ų14653 Ų5364%0.63529%0.288SS*.  trans-96.5140.3-177-70.5177.8-172178.60109.8K81 S82 E89 V93K81-K91 VanDerWaalsContact CA-O 3.31Å; K81-K91 WeakPolarHBondContact CA-O 3.26Å; S82-K91 PolarHBondContact N-O 3.36Å; S82-K91 VanDerWaalsContact N-O 3.13Å; E89-K91 WeakPolarHBondContact O-CG 3.42Å; E89-K91 PolarHBondContact O-N 3.32Å; K91-V93 PolarHBondContact O-N 3.32Å
92P90.4Very high85.2Confident24 Ų2456.2 Ų56.216%0.15630%0.302CS..EExtended strand (participates in β ladder)trans-54.3132.7164.5-25.336.5000110.1V79 W147 V174 Y200V79-P92 HydrophobicContact CG1-CB 3.81Å; V79-P92 HydrophobicContact CG1-CG 4.2Å; P92-W147 HydrophobicContact CG-CH2 3.8Å; P92-W147 HydrophobicContact CG-CZ2 4.28Å; P92-V174 HydrophobicContact CB-CG1 4.26Å; P92-V174 HydrophobicContact CG-CG1 3.99Å; P92-Y200 HydrophobicContact CB-CD2 3.51Å; P92-Y200 HydrophobicContact CB-CE2 3.52Å; P92-Y200 HydrophobicContact CB-CG 4.41Å
93V91.6Very high85.1Confident30 Ų3056.1 Ų56.118%0.18230%0.299CS..EExtended strand (participates in β ladder)trans-106.3-42.9177.8173.60000109.3I80 K91 L138 F140 Y200I80-V93 PolarHBondContact O-N 3.07Å; K91-V93 PolarHBondContact O-N 3.32Å; V93-L138 HydrophobicContact CG1-CD2 3.96Å; V93-F140 HydrophobicContact CB-CE2 4.46Å; V93-F140 HydrophobicContact CB-CZ 4.25Å; V93-F140 HydrophobicContact CG1-CE2 4.28Å; V93-F140 HydrophobicContact CG1-CZ 3.72Å; V93-F140 HydrophobicContact CG2-CE2 3.6Å; V93-F140 HydrophobicContact CG2-CZ 3.53Å; V93-Y200 PolarHBondContact O-N 2.71Å
94E94.1Very high85.1Confident1 Ų154.6 Ų54.61%0.00529%0.292CS..EExtended strand (participates in β ladder)trans-154.4155174.354.1-179-142.200110.8Y25 R29 I80 I198 Q199Y25-E94 WeakPolarHBondContact OH-CG 3.31Å; Y25-E94 PolarHBondContact OH-OE1 3.4Å; R29-E94 WeakPolarHBondContact CD-OE1 3.43Å; R29-E94 WeakPolarHBondContact CG-OE1 3.28Å; R29-E94 IonicContact CZ-OE1 3.56Å; R29-E94 IonicContact CZ-OE2 3.64Å; R29-E94 IonicContact NE-OE1 2.69Å; R29-E94 PolarHBondContact NE-OE1 3.04Å; R29-E94 IonicContact NE-OE2 3.44Å; R29-E94 PolarHBondContact NE-OE2 3.39Å; R29-E94 IonicContact NH2-OE1 3.53Å; R29-E94 IonicContact NH2-OE2 2.98Å; R29-E94 PolarHBondContact NH2-OE2 3.26Å; I80-E94 HydrophobicContact CB-CG 3.99Å; I80-E94 HydrophobicContact CD1-CG 4.3Å; I80-E94 WeakPolarHBondContact CD1-OE1 3.35Å; I80-E94 PolarHBondContact N-O 2.92Å; I80-E94 PolarHBondContact O-N 3.19Å; E94-I198 CarbonylContact C-O 3.55Å; E94-I198 WeakPolarHBondContact CA-O 3.32Å; E94-I198 WeakPolarHBondContact CB-O 3.35Å; E94-Q199 HydrophobicContact CB-CG 4.17Å; E94-Q199 PolarHBondContact OE2-NE2 3.17Å
95S95.3Very high85.5Confident0 Ų054.3 Ų54.30%029%0.292CS..EExtended strand (participates in β ladder)trans-128.4127.9174-65.50000110.2V78 L197 I198 Y200V78-S95 WeakPolarHBondContact O-CA 3.47Å; S95-L197 CarbonylContact O-C 3.57Å; S95-L197 WeakPolarHBondContact O-CA 3.37Å; S95-I198 PolarHBondContact N-O 3.29Å; S95-I198 PolarHBondContact O-N 2.94Å; S95-Y200 WeakPolarHBondContact OG-CE2 3.39Å; S95-Y200 PolarHBondContact OG-OH 3.28Å
96L97.6Very high86.3Confident0 Ų054.3 Ų54.30%027%0.273CS..EExtended strand (participates in β ladder)trans-84.4117.1159.4-17965.2000108.5V21 Y25 R77 V78 L98 L128 I183 V195 L197V21-L96 HydrophobicContact CG1-CD2 3.33Å; V21-L96 HydrophobicContact CG1-CG 4.44Å; Y25-L96 HydrophobicContact CD1-CB 3.85Å; Y25-L96 HydrophobicContact CD1-CD2 4.12Å; Y25-L96 HydrophobicContact CD2-CB 4.14Å; Y25-L96 HydrophobicContact CD2-CD2 3.91Å; Y25-L96 HydrophobicContact CE1-CB 3.65Å; Y25-L96 HydrophobicContact CE2-CB 3.95Å; Y25-L96 HydrophobicContact CG-CB 4.09Å; Y25-L96 HydrophobicContact CG-CD2 3.68Å; R77-L96 CarbonylContact C-O 3.57Å; R77-L96 VanDerWaalsContact CA-O 3.23Å; R77-L96 WeakPolarHBondContact CA-O 3.35Å; V78-L96 HydrophobicContact CB-CB 4.38Å; V78-L96 PolarHBondContact N-O 3.33Å; V78-L96 PolarHBondContact O-N 3.43Å; L96-L98 HydrophobicContact CD2-CD1 4.39Å; L96-L98 HydrophobicContact CG-CD1 4.1Å; L96-L128 HydrophobicContact CD1-CD1 3.89Å; L96-L128 HydrophobicContact CD2-CD1 3.84Å; L96-L128 HydrophobicContact CD2-CD2 4.01Å; L96-I183 HydrophobicContact CD1-CD1 3.29Å; L96-V195 HydrophobicContact CD1-CG1 3.83Å; L96-L197 HydrophobicContact CB-CD1 4.44Å
97V96.9Very high87Confident0 Ų053 Ų530%026%0.263CS..EExtended strand (participates in β ladder)trans-107.2126.3-174.8-172.40000109.9E75 R77 Q99 V195 F196 I198E75-V97 HydrophobicContact CG-CG1 3.68Å; R77-V97 HydrophobicContact CG-CB 4.46Å; R77-V97 HydrophobicContact CG-CG1 4.2Å; R77-V97 HydrophobicContact CG-CG2 4.05Å; V97-Q99 HydrophobicContact CG1-CB 4.49Å; V97-V195 VanDerWaalsContact O-CA 3.26Å; V97-V195 WeakPolarHBondContact O-CA 3.46Å; V97-F196 HydrophobicContact CB-CD1 4.38Å; V97-F196 HydrophobicContact CB-CD2 4.01Å; V97-F196 HydrophobicContact CB-CE1 4.05Å; V97-F196 HydrophobicContact CB-CE2 3.69Å; V97-F196 HydrophobicContact CB-CG 4.37Å; V97-F196 HydrophobicContact CB-CZ 3.7Å; V97-F196 HydrophobicContact CG1-CE1 3.86Å; V97-F196 HydrophobicContact CG1-CE2 3.97Å; V97-F196 HydrophobicContact CG1-CZ 3.49Å; V97-F196 VanDerWaalsContact CG1-CZ 3.49Å; V97-F196 HydrophobicContact CG2-CD2 4.18Å; V97-F196 HydrophobicContact CG2-CE2 3.76Å; V97-F196 HydrophobicContact CG2-CZ 4.18Å; V97-F196 PolarHBondContact N-O 2.92Å; V97-F196 PolarHBondContact O-N 3.36Å; V97-F196 VanDerWaalsContact O-N 3.09Å; V97-I198 HydrophobicContact CG2-CD1 3.88Å; V97-I198 HydrophobicContact CG2-CG1 3.97Å
98L98Very high88Confident0 Ų048.5 Ų48.50%023%0.233CC..EExtended strand (participates in β ladder)trans-108.8104.5169.6-72.768.9000106.7F17 I18 V21 E75 F76 L96 F100 M193 V195F17-L98 HydrophobicContact CD1-CD2 4.49Å; F17-L98 HydrophobicContact CE1-CD2 3.89Å; I18-L98 HydrophobicContact CG1-CD2 3.93Å; I18-L98 HydrophobicContact CG2-CD2 4.47Å; V21-L98 HydrophobicContact CG1-CD1 3.99Å; V21-L98 HydrophobicContact CG1-CD2 4.36Å; E75-L98 WeakPolarHBondContact CA-O 3.21Å; F76-L98 HydrophobicContact CB-CB 4.36Å; F76-L98 HydrophobicContact CD1-CD1 4.45Å; F76-L98 PolarHBondContact N-O 2.74Å; F76-L98 PolarHBondContact O-N 2.95Å; L96-L98 HydrophobicContact CD2-CD1 4.39Å; L96-L98 HydrophobicContact CG-CD1 4.1Å; L98-F100 HydrophobicContact CB-CE2 4.2Å; L98-F100 HydrophobicContact CB-CZ 4.44Å; L98-M193 HydrophobicContact CB-CE 3.64Å; L98-M193 HydrophobicContact CD2-CE 3.85Å; L98-M193 HydrophobicContact CG-CE 3.71Å; L98-V195 HydrophobicContact CD1-CG1 4.5Å; L98-V195 HydrophobicContact CG-CG2 4.21Å
99Q96.5Very high88.7Confident40 Ų4045.9 Ų45.919%0.18722%0.222CC..EExtended strand (participates in β ladder)trans-106128.1-178.6-165.7177.86100110.6D74 E75 V97 N101 M193 Q194 F196D74-Q99 CarbonylContact O-C 3.51Å; D74-Q99 WeakPolarHBondContact O-CA 3.37Å; D74-Q99 WeakPolarHBondContact O-CG 3.38Å; E75-Q99 PolarHBondContact OE2-NE2 3.11Å; V97-Q99 HydrophobicContact CG1-CB 4.49Å; Q99-N101 WeakPolarHBondContact CG-OD1 3.49Å; Q99-N101 PolarHBondContact OE1-OD1 3.24Å; Q99-N101 VanDerWaalsContact OE1-OD1 3.07Å; Q99-M193 CarbonylContact O-C 3.58Å; Q99-M193 VanDerWaalsContact O-CA 3.26Å; Q99-M193 WeakPolarHBondContact O-CA 3.46Å; Q99-M193 WeakPolarHBondContact O-CG 3.11Å; Q99-Q194 HydrophobicContact CB-CG 3.92Å; Q99-Q194 PolarHBondContact N-O 3Å; Q99-Q194 PolarHBondContact O-N 3.02Å; Q99-F196 HydrophobicContact CB-CE1 4.12Å
100F94.8Very high89.4Confident7 Ų743.7 Ų43.73%0.03121%0.211CC..EExtended strand (participates in β ladder)trans-107.986179.1-56.8-86.6000109I14 I18 I73 D74 L98 K102 L103 Q192 M193I14-F100 HydrophobicContact CG2-CE1 4.06Å; I14-F100 HydrophobicContact CG2-CZ 4.1Å; I18-F100 HydrophobicContact CD1-CZ 4.23Å; I73-F100 HydrophobicContact CG2-CD2 4.15Å; I73-F100 HydrophobicContact CG2-CE2 4.32Å; D74-F100 PolarHBondContact O-N 3.41Å; L98-F100 HydrophobicContact CB-CE2 4.2Å; L98-F100 HydrophobicContact CB-CZ 4.44Å; F100-K102 PolarHBondContact O-N 2.89Å; F100-L103 HydrophobicContact CB-CB 4.48Å; F100-L103 HydrophobicContact CB-CD2 4.44Å; F100-L103 HydrophobicContact CD1-CD2 4.22Å; F100-L103 HydrophobicContact CG-CD2 4.39Å; F100-Q192 CarbonylContact C-O 3.6Å; F100-M193 HydrophobicContact CD1-CB 4.49Å; F100-M193 HydrophobicContact CD1-CG 4.02Å; F100-M193 HydrophobicContact CD1-SD 4.26Å; F100-M193 HydrophobicContact CE1-CE 3.83Å; F100-M193 HydrophobicContact CE1-CG 4.09Å; F100-M193 HydrophobicContact CE1-SD 3.74Å; F100-M193 HydrophobicContact CZ-CE 3.84Å; F100-M193 HydrophobicContact CZ-SD 4.37Å
101N91.5Very high89Confident75 Ų7546.7 Ų46.740%0.40123%0.226SC..EExtended strand (participates in β ladder)trans-68.9-25.6-179-67.3-29.1000112.8Q99 Q192Q99-N101 WeakPolarHBondContact CG-OD1 3.49Å; Q99-N101 PolarHBondContact OE1-OD1 3.24Å; Q99-N101 VanDerWaalsContact OE1-OD1 3.07Å; N101-Q192 HydrophobicContact CB-CB 4.25Å; N101-Q192 HydrophobicContact CB-CG 4.01Å; N101-Q192 PolarHBondContact N-O 3.25Å
102K89.7Confident88.2Confident94 Ų9444 Ų4441%0.40922%0.217SC..EExtended strand (participates in β ladder)trans-147.4129.1172.9-175.7-177.1-178.5-177.90108.3F100 E189 I191 Q192F100-K102 PolarHBondContact O-N 2.89Å; K102-E189 VanDerWaalsContact CE-O 3.29Å; K102-E189 WeakPolarHBondContact CE-O 3.18Å; K102-E189 PolarHBondContact NZ-O 3.03Å; K102-I191 CarbonylContact O-C 3.53Å; K102-I191 WeakPolarHBondContact O-CA 3.25Å; K102-Q192 HydrophobicContact CB-CB 3.68Å; K102-Q192 PolarHBondContact N-O 3.39Å; K102-Q192 PolarHBondContact O-N 2.89Å
103L89.2Confident86.8Confident25 Ų2544.5 Ų44.513%0.13122%0.221CC..EExtended strand (participates in β ladder)trans-145.797.3174.9-167.660000109.2I14 I70 F100 A105 I108 I191I14-L103 HydrophobicContact CD1-CD1 3.87Å; I14-L103 HydrophobicContact CD1-CD2 4.5Å; I70-L103 VanDerWaalsContact O-CD2 3.29Å; I70-L103 WeakPolarHBondContact O-CD2 3.34Å; F100-L103 HydrophobicContact CB-CB 4.48Å; F100-L103 HydrophobicContact CB-CD2 4.44Å; F100-L103 HydrophobicContact CD1-CD2 4.22Å; F100-L103 HydrophobicContact CG-CD2 4.39Å; L103-A105 PolarHBondContact O-N 3.48Å; L103-I108 HydrophobicContact CD1-CD1 4.02Å; L103-I108 HydrophobicContact CD1-CG1 4.16Å; L103-I108 HydrophobicContact CD2-CD1 3.55Å; L103-I108 HydrophobicContact CG-CD1 3.4Å; L103-I108 HydrophobicContact CG-CG1 4.06Å; L103-I191 HydrophobicContact CD1-CB 4.34Å; L103-I191 HydrophobicContact CD1-CD1 3.75Å; L103-I191 HydrophobicContact CD1-CG1 3.95Å
104N86.7Confident85.8Confident57 Ų5746 Ų4631%0.30523%0.225SC..  trans-65.9122-176-178.6-8.3000110.8E106 F107 I108 D190N104-E106 VanDerWaalsContact C-N 3.27Å; N104-E106 PolarHBondContact O-N 3.08Å; N104-E106 PolarHBondContact OD1-N 3.21Å; N104-F107 HydrophobicContact CB-CB 3.83Å; N104-F107 WeakPolarHBondContact O-CB 3.46Å; N104-F107 PolarHBondContact O-N 3.26Å; N104-F107 VanDerWaalsContact O-N 3.1Å; N104-I108 PolarHBondContact O-N 3.49Å; N104-D190 HydrophobicContact CB-CB 4.28Å; N104-D190 WeakPolarHBondContact CB-O 3.42Å; N104-D190 PolarHBondContact N-O 2.9Å; N104-D190 PolarHBondContact ND2-OD1 3.45Å
105A85.9Confident85.2Confident37 Ų3749.4 Ų49.431%0.30625%0.249SC..Hα-helixtrans-61.3-34.6-179.200000112.7L103 I108 R109L103-A105 PolarHBondContact O-N 3.48Å; A105-I108 PolarHBondContact O-N 3.45Å; A105-R109 WeakPolarHBondContact O-CG 3.36Å; A105-R109 PolarHBondContact O-N 3.18Å
106E86.3Confident84.8Confident113 Ų11353 Ų5353%0.52827%0.268SS..Hα-helixtrans-68.6-38.6175.3-65.7-53.5126.200111.3N104 I108 R109 Q110N104-E106 VanDerWaalsContact C-N 3.27Å; N104-E106 PolarHBondContact O-N 3.08Å; N104-E106 PolarHBondContact OD1-N 3.21Å; E106-I108 PolarHBondContact O-N 2.65Å; E106-R109 PolarHBondContact O-N 2.86Å; E106-R109 IonicContact OE1-CZ 3.9Å; E106-R109 IonicContact OE1-NH1 2.73Å; E106-R109 PolarHBondContact OE1-NH1 3.14Å; E106-Q110 WeakPolarHBondContact O-CG 3.21Å
107F85.5Confident84.5Confident5 Ų553.2 Ų53.22%0.02227%0.269CS..Hα-helixtrans-61.9-41.7174.9173.3-107.6000112.2V10 N104 R109 Q110 F114 L117 D190 I191V10-F107 HydrophobicContact CG1-CD1 3.87Å; V10-F107 HydrophobicContact CG1-CE1 3.56Å; V10-F107 HydrophobicContact CG1-CZ 4.13Å; V10-F107 HydrophobicContact CG2-CE1 4.48Å; V10-F107 HydrophobicContact CG2-CE2 4.49Å; V10-F107 HydrophobicContact CG2-CZ 4.31Å; V10-F107 WeakPolarHBondContact CG2-O 3.43Å; N104-F107 HydrophobicContact CB-CB 3.83Å; N104-F107 WeakPolarHBondContact O-CB 3.46Å; N104-F107 PolarHBondContact O-N 3.26Å; N104-F107 VanDerWaalsContact O-N 3.1Å; F107-R109 PolarHBondContact O-N 3.2Å; F107-Q110 WeakPolarHBondContact O-CB 3.23Å; F107-Q110 PolarHBondContact O-N 3.34Å; F107-Q110 VanDerWaalsContact O-N 3.1Å; F107-F114 AromaticContact CD2-CE2 3.98Å; F107-F114 HydrophobicContact CD2-CE2 3.98Å; F107-F114 HydrophobicContact CD2-CZ 4.32Å; F107-F114 AromaticContact CE2-CD2 3.65Å; F107-F114 HydrophobicContact CE2-CD2 3.65Å; F107-F114 HydrophobicContact CE2-CE1 4.37Å; F107-F114 AromaticContact CE2-CE2 3.33Å; F107-F114 HydrophobicContact CE2-CE2 3.33Å; F107-F114 HydrophobicContact CE2-CG 4.29Å; F107-F114 AromaticContact CE2-CZ 3.74Å; F107-F114 HydrophobicContact CE2-CZ 3.74Å; F107-F114 HydrophobicContact CZ-CD2 4.09Å; F107-F114 HydrophobicContact CZ-CE2 4.22Å; F107-L117 HydrophobicContact CE1-CD2 4.24Å; F107-L117 HydrophobicContact CZ-CD2 4.09Å; F107-D190 HydrophobicContact CB-CB 3.63Å; F107-D190 HydrophobicContact CD1-CB 3.83Å; F107-D190 HydrophobicContact CD2-CB 3.48Å; F107-D190 VanDerWaalsContact CD2-CB 3.48Å; F107-D190 HydrophobicContact CE1-CB 4.32Å; F107-D190 HydrophobicContact CE2-CB 4Å; F107-D190 HydrophobicContact CG-CB 3.38Å; F107-D190 HydrophobicContact CZ-CB 4.4Å; F107-I191 HydrophobicContact CE1-CB 4.26Å; F107-I191 HydrophobicContact CE1-CG2 4.16Å; F107-I191 HydrophobicContact CZ-CG2 4.42Å
108I83.4Confident84.2Confident12 Ų1256.1 Ų56.16%0.06228%0.283CS..Hα-helixtrans-60.5-34.7177.2-72.9174.2000112.4N9 V10 I14 I70 L103 N104 A105 E106 Q110N9-I108 PolarHBondContact OD1-O 3.18Å; V10-I108 HydrophobicContact CG1-CG1 4.45Å; I14-I108 HydrophobicContact CD1-CG1 4.46Å; I70-I108 HydrophobicContact CG2-CD1 4.19Å; I70-I108 HydrophobicContact CG2-CG2 3.96Å; L103-I108 HydrophobicContact CD1-CD1 4.02Å; L103-I108 HydrophobicContact CD1-CG1 4.16Å; L103-I108 HydrophobicContact CD2-CD1 3.55Å; L103-I108 HydrophobicContact CG-CD1 3.4Å; L103-I108 HydrophobicContact CG-CG1 4.06Å; N104-I108 PolarHBondContact O-N 3.49Å; A105-I108 PolarHBondContact O-N 3.45Å; E106-I108 PolarHBondContact O-N 2.65Å; I108-Q110 PolarHBondContact O-N 3.47Å
109R82.2Confident84Confident165 Ų16561.2 Ų61.262%0.62331%0.307SS*.THydrogen-bonded Turntrans-76.8-8-179.4-67.3175-174148.11.4113.1A105 E106 F107A105-R109 WeakPolarHBondContact O-CG 3.36Å; A105-R109 PolarHBondContact O-N 3.18Å; E106-R109 PolarHBondContact O-N 2.86Å; E106-R109 IonicContact OE1-CZ 3.9Å; E106-R109 IonicContact OE1-NH1 2.73Å; E106-R109 PolarHBondContact OE1-NH1 3.14Å; F107-R109 PolarHBondContact O-N 3.2Å
110Q80.6Confident83.9Confident62 Ų6262 Ų6229%0.2931%0.308SS..  trans-73.6136.8-179.4-64.2178.715.900111.7V10 E106 F107 I108 I112V10-Q110 PolarHBondContact N-O 3.16Å; E106-Q110 WeakPolarHBondContact O-CG 3.21Å; F107-Q110 WeakPolarHBondContact O-CB 3.23Å; F107-Q110 PolarHBondContact O-N 3.34Å; F107-Q110 VanDerWaalsContact O-N 3.1Å; I108-Q110 PolarHBondContact O-N 3.47Å; Q110-I112 VanDerWaalsContact C-N 3.28Å; Q110-I112 HydrophobicContact CB-CD1 4.49Å; Q110-I112 HydrophobicContact CB-CG1 4.28Å; Q110-I112 PolarHBondContact O-N 3.3Å
111D69.4Low84Confident88 Ų8861.6 Ų61.647%0.47131%0.307SS..  trans-9442.9171.4-68-35.4000111.6K7 N9K7-D111 HydrophobicContact CB-CB 4.45Å; K7-D111 WeakPolarHBondContact CB-O 3.42Å; K7-D111 HydrophobicContact CD-CB 4.46Å; K7-D111 WeakPolarHBondContact CD-O 3.5Å; K7-D111 WeakPolarHBondContact CG-O 3.45Å; N9-D111 WeakPolarHBondContact CB-OD1 3.47Å; N9-D111 PolarHBondContact ND2-OD1 3Å
112I67.2Low84.3Confident88 Ų8858.8 Ų58.845%0.45129%0.293SS..  trans-105129.2-178-58.8179.4000109.6Q110 F114Q110-I112 VanDerWaalsContact C-N 3.28Å; Q110-I112 HydrophobicContact CB-CD1 4.49Å; Q110-I112 HydrophobicContact CB-CG1 4.28Å; Q110-I112 PolarHBondContact O-N 3.3Å; I112-F114 HydrophobicContact CB-CD2 4.15Å; I112-F114 HydrophobicContact CB-CE2 3.78Å; I112-F114 HydrophobicContact CB-CZ 4.41Å; I112-F114 HydrophobicContact CG2-CD2 4.1Å; I112-F114 HydrophobicContact CG2-CE2 3.86Å; I112-F114 HydrophobicContact CG2-CZ 4.12Å; I112-F114 PolarHBondContact O-N 2.9Å
113C59.8Low84.6Confident36 Ų3657.5 Ų57.524%0.24329%0.29CS..  trans-73.193.1172.4-171.10000109.6S115 Q118C113-S115 PolarHBondContact O-N 3.31Å; C113-Q118 PolarHBondContact SG-NE2 2.87Å
114F71.5Confident85.1Confident60 Ų6056.3 Ų56.326%0.26328%0.284SS..  trans-80.595.7174.2-79.6-79.4000110.6V10 F107 I112 L116 L117 Q118V10-F114 HydrophobicContact CG2-CD2 4.21Å; F107-F114 AromaticContact CD2-CE2 3.98Å; F107-F114 HydrophobicContact CD2-CE2 3.98Å; F107-F114 HydrophobicContact CD2-CZ 4.32Å; F107-F114 AromaticContact CE2-CD2 3.65Å; F107-F114 HydrophobicContact CE2-CD2 3.65Å; F107-F114 HydrophobicContact CE2-CE1 4.37Å; F107-F114 AromaticContact CE2-CE2 3.33Å; F107-F114 HydrophobicContact CE2-CE2 3.33Å; F107-F114 HydrophobicContact CE2-CG 4.29Å; F107-F114 AromaticContact CE2-CZ 3.74Å; F107-F114 HydrophobicContact CE2-CZ 3.74Å; F107-F114 HydrophobicContact CZ-CD2 4.09Å; F107-F114 HydrophobicContact CZ-CE2 4.22Å; I112-F114 HydrophobicContact CB-CD2 4.15Å; I112-F114 HydrophobicContact CB-CE2 3.78Å; I112-F114 HydrophobicContact CB-CZ 4.41Å; I112-F114 HydrophobicContact CG2-CD2 4.1Å; I112-F114 HydrophobicContact CG2-CE2 3.86Å; I112-F114 HydrophobicContact CG2-CZ 4.12Å; I112-F114 PolarHBondContact O-N 2.9Å; F114-L116 PolarHBondContact O-N 3.38Å; F114-L117 HydrophobicContact CB-CB 3.83Å; F114-L117 PolarHBondContact O-N 3.43Å; F114-L117 VanDerWaalsContact O-N 3.16Å; F114-Q118 PolarHBondContact O-N 2.84Å
115S80.8Confident85.6Confident74 Ų7453.6 Ų53.652%0.51727%0.27SS..Hα-helixtrans-52.1-41170.453.60000111.5C113 L117 Q118 E119C113-S115 PolarHBondContact O-N 3.31Å; S115-L117 PolarHBondContact O-N 2.83Å; S115-Q118 WeakPolarHBondContact O-CB 3.44Å; S115-Q118 PolarHBondContact O-N 3.46Å; S115-E119 WeakPolarHBondContact O-CG 3.23Å; S115-E119 PolarHBondContact O-N 2.99Å
116L87.6Confident86.2Confident74 Ų7456 Ų5639%0.38728%0.276SS..Hα-helixtrans-61.5-41.4178.9-176.962.9000113F114 E119 Y120 T188F114-L116 PolarHBondContact O-N 3.38Å; L116-E119 WeakPolarHBondContact O-CB 3.21Å; L116-E119 PolarHBondContact O-N 3.36Å; L116-Y120 HydrophobicContact CD1-CD2 4.47Å; L116-Y120 HydrophobicContact CD1-CE2 3.82Å; L116-Y120 HydrophobicContact CD2-CE2 4.09Å; L116-Y120 HydrophobicContact CG-CD2 4.18Å; L116-Y120 HydrophobicContact CG-CE2 3.62Å; L116-Y120 VanDerWaalsContact O-CD2 3.24Å; L116-Y120 WeakPolarHBondContact O-CD2 3.41Å; L116-Y120 PolarHBondContact O-N 3.35Å; L116-T188 HydrophobicContact CD2-CG2 4.41Å
117L90.1Very high86.7Confident6 Ų656.1 Ų56.13%0.03127%0.272CS..Hα-helixtrans-68-39.2178.2-175.357.3000111V10 L13 F107 F114 S115 E119 Y120 F121 F186 I191V10-L117 HydrophobicContact CG1-CD2 4.42Å; L13-L117 HydrophobicContact CD2-CB 4.45Å; L13-L117 HydrophobicContact CD2-CD2 4.05Å; L13-L117 HydrophobicContact CD2-CG 4.27Å; F107-L117 HydrophobicContact CE1-CD2 4.24Å; F107-L117 HydrophobicContact CZ-CD2 4.09Å; F114-L117 HydrophobicContact CB-CB 3.83Å; F114-L117 PolarHBondContact O-N 3.43Å; F114-L117 VanDerWaalsContact O-N 3.16Å; S115-L117 PolarHBondContact O-N 2.83Å; L117-E119 VanDerWaalsContact C-N 3.31Å; L117-E119 PolarHBondContact O-N 2.98Å; L117-Y120 PolarHBondContact O-N 3.15Å; L117-F121 HydrophobicContact CD1-CD1 4.27Å; L117-F121 HydrophobicContact CD1-CE1 3.66Å; L117-F121 HydrophobicContact CD1-CE2 4.03Å; L117-F121 HydrophobicContact CD1-CZ 3.52Å; L117-F121 HydrophobicContact CD2-CE2 4.04Å; L117-F121 HydrophobicContact CD2-CZ 4.01Å; L117-F121 HydrophobicContact CG-CD2 4.2Å; L117-F121 HydrophobicContact CG-CE1 4.23Å; L117-F121 HydrophobicContact CG-CE2 3.67Å; L117-F121 HydrophobicContact CG-CZ 3.68Å; L117-F121 VanDerWaalsContact O-CG 3.31Å; L117-F121 WeakPolarHBondContact O-CG 3.41Å; L117-F121 PolarHBondContact O-N 2.89Å; L117-F186 HydrophobicContact CD1-CE2 3.79Å; L117-F186 HydrophobicContact CD1-CZ 3.76Å; L117-I191 HydrophobicContact CD1-CD1 4.21Å; L117-I191 HydrophobicContact CD1-CG2 4.3Å
118Q92.3Very high87.2Confident60 Ų6055.9 Ų55.928%0.2827%0.271SS..Hα-helixtrans-62.6-38173.5-66.2-176.234.100112.2L13 F43 C113 F114 S115 F121 A122L13-Q118 HydrophobicContact CD1-CG 4.01Å; L13-Q118 HydrophobicContact CD2-CG 3.87Å; F43-Q118 HydrophobicContact CD1-CB 4.21Å; F43-Q118 HydrophobicContact CD1-CG 4.24Å; F43-Q118 HydrophobicContact CE1-CG 4.42Å; C113-Q118 PolarHBondContact SG-NE2 2.87Å; F114-Q118 PolarHBondContact O-N 2.84Å; S115-Q118 WeakPolarHBondContact O-CB 3.44Å; S115-Q118 PolarHBondContact O-N 3.46Å; Q118-F121 PolarHBondContact O-N 3.28Å; Q118-A122 WeakPolarHBondContact O-CB 3.33Å; Q118-A122 PolarHBondContact O-N 2.86Å
119E93.5Very high87.8Confident108 Ų10859.2 Ų59.251%0.50529%0.285SS..Hα-helixtrans-62.7-44.3174.4-73.2168.5-154.300111.6S115 L116 L117 F121 A122 I123S115-E119 WeakPolarHBondContact O-CG 3.23Å; S115-E119 PolarHBondContact O-N 2.99Å; L116-E119 WeakPolarHBondContact O-CB 3.21Å; L116-E119 PolarHBondContact O-N 3.36Å; L117-E119 VanDerWaalsContact C-N 3.31Å; L117-E119 PolarHBondContact O-N 2.98Å; E119-F121 VanDerWaalsContact C-N 3.35Å; E119-F121 PolarHBondContact O-N 2.98Å; E119-A122 PolarHBondContact O-N 2.67Å; E119-I123 VanDerWaalsContact O-CG1 3.27Å; E119-I123 WeakPolarHBondContact O-CG1 3.41Å; E119-I123 PolarHBondContact O-N 2.85Å
120Y94.9Very high88.3Confident55 Ų5555.7 Ų55.722%0.21628%0.278CS..Hα-helixtrans-61.4-43.2174.8-71.5-51000112.4L116 L117 I123 I124 F186 T188L116-Y120 HydrophobicContact CD1-CD2 4.47Å; L116-Y120 HydrophobicContact CD1-CE2 3.82Å; L116-Y120 HydrophobicContact CD2-CE2 4.09Å; L116-Y120 HydrophobicContact CG-CD2 4.18Å; L116-Y120 HydrophobicContact CG-CE2 3.62Å; L116-Y120 VanDerWaalsContact O-CD2 3.24Å; L116-Y120 WeakPolarHBondContact O-CD2 3.41Å; L116-Y120 PolarHBondContact O-N 3.35Å; L117-Y120 PolarHBondContact O-N 3.15Å; Y120-I123 PolarHBondContact O-N 2.8Å; Y120-I124 WeakPolarHBondContact O-CG1 3.46Å; Y120-I124 PolarHBondContact O-N 2.77Å; Y120-F186 HydrophobicContact CD1-CB 3.57Å; Y120-F186 HydrophobicContact CD1-CD1 4.35Å; Y120-F186 HydrophobicContact CD1-CD2 4.35Å; Y120-F186 AromaticContact CD1-CG 3.87Å; Y120-F186 HydrophobicContact CD1-CG 3.87Å; Y120-F186 HydrophobicContact CD2-CB 4.21Å; Y120-F186 AromaticContact CD2-CD2 3.49Å; Y120-F186 HydrophobicContact CD2-CD2 3.49Å; Y120-F186 VanDerWaalsContact CD2-CD2 3.49Å; Y120-F186 AromaticContact CD2-CE2 3.92Å; Y120-F186 HydrophobicContact CD2-CE2 3.92Å; Y120-F186 AromaticContact CD2-CG 3.86Å; Y120-F186 HydrophobicContact CD2-CG 3.86Å; Y120-F186 HydrophobicContact CE1-CB 3.7Å; Y120-F186 HydrophobicContact CE1-CG 4.36Å; Y120-F186 HydrophobicContact CE2-CB 4.3Å; Y120-F186 AromaticContact CE2-CD2 3.89Å; Y120-F186 HydrophobicContact CE2-CD2 3.89Å; Y120-F186 HydrophobicContact CE2-CG 4.32Å; Y120-F186 HydrophobicContact CG-CB 3.87Å; Y120-F186 HydrophobicContact CG-CD1 4.01Å; Y120-F186 AromaticContact CG-CD2 3.76Å; Y120-F186 HydrophobicContact CG-CD2 3.76Å; Y120-F186 HydrophobicContact CG-CE1 4.48Å; Y120-F186 HydrophobicContact CG-CE2 4.27Å; Y120-F186 AromaticContact CG-CG 3.61Å; Y120-F186 HydrophobicContact CG-CG 3.61Å; Y120-T188 HydrophobicContact CE2-CG2 3.77Å
121F96.1Very high88.9Confident0 Ų052.8 Ų52.80%026%0.264CS..Hα-helixtrans-63.4-42.9176.2-68.9-14.3000112.1L13 I14 F17 F43 L117 Q118 E119 I123 I124 L125 F186 M193L13-F121 HydrophobicContact CD2-CE2 4.41Å; L13-F121 HydrophobicContact CG-CD2 4.37Å; L13-F121 HydrophobicContact CG-CE2 4.08Å; I14-F121 HydrophobicContact CG1-CE2 4.48Å; I14-F121 HydrophobicContact CG1-CZ 4.14Å; F17-F121 HydrophobicContact CB-CD1 4.46Å; F17-F121 HydrophobicContact CB-CD2 3.59Å; F17-F121 HydrophobicContact CB-CE2 3.69Å; F17-F121 HydrophobicContact CB-CG 4Å; F17-F121 HydrophobicContact CB-CZ 4.19Å; F17-F121 AromaticContact CD1-CD1 3.8Å; F17-F121 HydrophobicContact CD1-CD1 3.8Å; F17-F121 HydrophobicContact CD1-CD2 4.38Å; F17-F121 AromaticContact CD1-CE1 3.67Å; F17-F121 HydrophobicContact CD1-CE1 3.67Å; F17-F121 HydrophobicContact CD1-CE2 4.26Å; F17-F121 HydrophobicContact CD1-CG 4.16Å; F17-F121 AromaticContact CD1-CZ 3.92Å; F17-F121 HydrophobicContact CD1-CZ 3.92Å; F17-F121 HydrophobicContact CD2-CB 3.48Å; F17-F121 VanDerWaalsContact CD2-CB 3.48Å; F17-F121 AromaticContact CD2-CD1 3.72Å; F17-F121 HydrophobicContact CD2-CD1 3.72Å; F17-F121 AromaticContact CD2-CD2 3.97Å; F17-F121 HydrophobicContact CD2-CD2 3.97Å; F17-F121 HydrophobicContact CD2-CE1 4.42Å; F17-F121 AromaticContact CD2-CG 3.46Å; F17-F121 HydrophobicContact CD2-CG 3.46Å; F17-F121 VanDerWaalsContact CD2-CG 3.46Å; F17-F121 AromaticContact CE1-CD1 3.89Å; F17-F121 HydrophobicContact CE1-CD1 3.89Å; F17-F121 AromaticContact CE1-CE1 3.89Å; F17-F121 HydrophobicContact CE1-CE1 3.89Å; F17-F121 HydrophobicContact CE2-CB 3.81Å; F17-F121 AromaticContact CE2-CD1 3.79Å; F17-F121 HydrophobicContact CE2-CD1 3.79Å; F17-F121 AromaticContact CE2-CG 3.91Å; F17-F121 HydrophobicContact CE2-CG 3.91Å; F17-F121 HydrophobicContact CG-CB 4.12Å; F17-F121 AromaticContact CG-CD1 3.7Å; F17-F121 HydrophobicContact CG-CD1 3.7Å; F17-F121 AromaticContact CG-CD2 3.71Å; F17-F121 HydrophobicContact CG-CD2 3.71Å; F17-F121 AromaticContact CG-CE1 3.95Å; F17-F121 HydrophobicContact CG-CE1 3.95Å; F17-F121 AromaticContact CG-CE2 3.94Å; F17-F121 HydrophobicContact CG-CE2 3.94Å; F17-F121 AromaticContact CG-CG 3.58Å; F17-F121 HydrophobicContact CG-CG 3.58Å; F17-F121 HydrophobicContact CG-CZ 4.06Å; F17-F121 AromaticContact CZ-CD1 3.87Å; F17-F121 HydrophobicContact CZ-CD1 3.87Å; F17-F121 HydrophobicContact CZ-CE1 4.34Å; F17-F121 HydrophobicContact CZ-CG 4.44Å; F43-F121 HydrophobicContact CD1-CB 4.04Å; F43-F121 HydrophobicContact CD1-CD2 4.48Å; F43-F121 HydrophobicContact CE1-CB 4.04Å; F43-F121 AromaticContact CE1-CD2 3.74Å; F43-F121 HydrophobicContact CE1-CD2 3.74Å; F43-F121 HydrophobicContact CE1-CG 4.4Å; F43-F121 HydrophobicContact CG-CB 4.47Å; F43-F121 HydrophobicContact CZ-CB 4.47Å; F43-F121 HydrophobicContact CZ-CD2 4.12Å; L117-F121 HydrophobicContact CD1-CD1 4.27Å; L117-F121 HydrophobicContact CD1-CE1 3.66Å; L117-F121 HydrophobicContact CD1-CE2 4.03Å; L117-F121 HydrophobicContact CD1-CZ 3.52Å; L117-F121 HydrophobicContact CD2-CE2 4.04Å; L117-F121 HydrophobicContact CD2-CZ 4.01Å; L117-F121 HydrophobicContact CG-CD2 4.2Å; L117-F121 HydrophobicContact CG-CE1 4.23Å; L117-F121 HydrophobicContact CG-CE2 3.67Å; L117-F121 HydrophobicContact CG-CZ 3.68Å; L117-F121 VanDerWaalsContact O-CG 3.31Å; L117-F121 WeakPolarHBondContact O-CG 3.41Å; L117-F121 PolarHBondContact O-N 2.89Å; Q118-F121 PolarHBondContact O-N 3.28Å; E119-F121 VanDerWaalsContact C-N 3.35Å; E119-F121 PolarHBondContact O-N 2.98Å; F121-I123 VanDerWaalsContact C-N 3.34Å; F121-I123 PolarHBondContact O-N 3.21Å; F121-I124 HydrophobicContact CD1-CD1 4.44Å; F121-I124 PolarHBondContact O-N 3.2Å; F121-L125 VanDerWaalsContact O-CG 3.28Å; F121-L125 WeakPolarHBondContact O-CG 3.28Å; F121-L125 PolarHBondContact O-N 2.88Å; F121-F186 HydrophobicContact CD1-CE1 4.44Å; F121-F186 HydrophobicContact CD1-CZ 4.43Å; F121-F186 HydrophobicContact CE1-CE1 4.26Å; F121-F186 AromaticContact CE1-CZ 3.92Å; F121-F186 HydrophobicContact CE1-CZ 3.92Å; F121-M193 HydrophobicContact CE1-SD 4.15Å
122A97Very high89.8Confident15 Ų1552.2 Ų52.212%0.12426%0.261CS..Hα-helixtrans-59.7-43.9174.200000111.7F43 L45 Q118 E119 I124 L125 I126F43-A122 HydrophobicContact CB-CB 4.18Å; L45-A122 HydrophobicContact CD1-CB 4.01Å; L45-A122 WeakPolarHBondContact CD1-O 3.44Å; L45-A122 HydrophobicContact CG-CB 4.46Å; Q118-A122 WeakPolarHBondContact O-CB 3.33Å; Q118-A122 PolarHBondContact O-N 2.86Å; E119-A122 PolarHBondContact O-N 2.67Å; A122-I124 VanDerWaalsContact C-N 3.35Å; A122-I124 PolarHBondContact O-N 2.88Å; A122-L125 PolarHBondContact O-N 3.29Å; A122-I126 VanDerWaalsContact O-CG1 3.28Å; A122-I126 WeakPolarHBondContact O-CG1 3.48Å; A122-I126 PolarHBondContact O-N 2.84Å
123I97.4Very high90.8Very high67 Ų6752.4 Ų52.434%0.34427%0.27SS..Hα-helixtrans-61.5-42.5177.4-68.4163.7000111.5E119 Y120 F121 I126 R127 K184E119-I123 VanDerWaalsContact O-CG1 3.27Å; E119-I123 WeakPolarHBondContact O-CG1 3.41Å; E119-I123 PolarHBondContact O-N 2.85Å; Y120-I123 PolarHBondContact O-N 2.8Å; F121-I123 VanDerWaalsContact C-N 3.34Å; F121-I123 PolarHBondContact O-N 3.21Å; I123-I126 PolarHBondContact O-N 3.41Å; I123-R127 PolarHBondContact O-N 3.35Å; I123-K184 HydrophobicContact CG2-CD 4.22Å; I123-K184 HydrophobicContact CG2-CG 4.28Å
124I98Very high92.2Very high1 Ų155.3 Ų55.31%0.00528%0.279CS..Hα-helixtrans-60.9-48.1176.3-70.6159.7000110.3F17 Y120 F121 A122 I126 R127 L128 I183 K184 F186 V195F17-I124 HydrophobicContact CE2-CB 4.18Å; F17-I124 HydrophobicContact CE2-CD1 4.42Å; F17-I124 HydrophobicContact CE2-CG2 4.11Å; F17-I124 HydrophobicContact CZ-CB 4.16Å; F17-I124 HydrophobicContact CZ-CD1 3.83Å; F17-I124 HydrophobicContact CZ-CG2 3.85Å; Y120-I124 WeakPolarHBondContact O-CG1 3.46Å; Y120-I124 PolarHBondContact O-N 2.77Å; F121-I124 HydrophobicContact CD1-CD1 4.44Å; F121-I124 PolarHBondContact O-N 3.2Å; A122-I124 VanDerWaalsContact C-N 3.35Å; A122-I124 PolarHBondContact O-N 2.88Å; I124-I126 VanDerWaalsContact C-N 3.35Å; I124-I126 PolarHBondContact O-N 3.11Å; I124-R127 PolarHBondContact O-N 3.09Å; I124-R127 VanDerWaalsContact O-N 3.17Å; I124-L128 WeakPolarHBondContact O-CB 3.22Å; I124-L128 PolarHBondContact O-N 2.82Å; I124-I183 HydrophobicContact CG2-CG2 4.45Å; I124-K184 HydrophobicContact CG1-CB 3.83Å; I124-K184 HydrophobicContact CG1-CG 4.01Å; I124-F186 HydrophobicContact CD1-CD1 4.09Å; I124-F186 HydrophobicContact CD1-CE1 3.77Å; I124-V195 HydrophobicContact CD1-CG2 3.91Å; I124-V195 HydrophobicContact CG1-CG2 4.36Å; I124-V195 HydrophobicContact CG2-CB 4.24Å; I124-V195 HydrophobicContact CG2-CG1 4.21Å; I124-V195 HydrophobicContact CG2-CG2 4.05Å
125L98.1Very high93.1Very high0 Ų052.9 Ų52.90%027%0.269CS..Hα-helixtrans-62.1-41.1179.9-68.2164.5000111.5F17 V21 L24 F43 L45 L47 F121 A122 R127 L128 K129F17-L125 HydrophobicContact CD2-CD1 4.43Å; F17-L125 HydrophobicContact CE2-CD2 4.49Å; F17-L125 HydrophobicContact CE2-CG 4.2Å; V21-L125 HydrophobicContact CG2-CD2 3.83Å; L24-L125 HydrophobicContact CD2-CB 4.25Å; L24-L125 HydrophobicContact CD2-CD2 3.84Å; L24-L125 WeakPolarHBondContact CD2-O 3.33Å; F43-L125 HydrophobicContact CB-CD1 4.29Å; F43-L125 HydrophobicContact CD2-CD1 3.45Å; F43-L125 VanDerWaalsContact CD2-CD1 3.45Å; F43-L125 HydrophobicContact CE2-CD1 4.1Å; F43-L125 HydrophobicContact CG-CD1 4.1Å; L45-L125 HydrophobicContact CD1-CB 3.75Å; L45-L125 HydrophobicContact CD1-CD1 4.39Å; L47-L125 HydrophobicContact CD1-CD1 4.06Å; L47-L125 HydrophobicContact CD1-CD2 4.16Å; F121-L125 VanDerWaalsContact O-CG 3.28Å; F121-L125 WeakPolarHBondContact O-CG 3.28Å; F121-L125 PolarHBondContact O-N 2.88Å; A122-L125 PolarHBondContact O-N 3.29Å; L125-R127 VanDerWaalsContact C-N 3.33Å; L125-R127 PolarHBondContact O-N 2.67Å; L125-L128 PolarHBondContact O-N 3.01Å; L125-L128 VanDerWaalsContact O-N 3.13Å; L125-K129 WeakPolarHBondContact O-CG 3.39Å; L125-K129 PolarHBondContact O-N 2.93Å
126I97.7Very high93.5Very high86 Ų8656.6 Ų56.644%0.44128%0.278SS..Hα-helixtrans-59-44.5174.2-70.6163.6000111.2L45 A122 I123 I124 L128 K129L45-I126 HydrophobicContact CD1-CD1 4.4Å; L45-I126 HydrophobicContact CD1-CG1 3.8Å; L45-I126 HydrophobicContact CD2-CD1 3.98Å; L45-I126 HydrophobicContact CD2-CG1 3.87Å; A122-I126 VanDerWaalsContact O-CG1 3.28Å; A122-I126 WeakPolarHBondContact O-CG1 3.48Å; A122-I126 PolarHBondContact O-N 2.84Å; I123-I126 PolarHBondContact O-N 3.41Å; I124-I126 VanDerWaalsContact C-N 3.35Å; I124-I126 PolarHBondContact O-N 3.11Å; I126-L128 VanDerWaalsContact C-N 3.29Å; I126-L128 PolarHBondContact O-N 3.34Å; I126-K129 WeakPolarHBondContact O-CB 3.37Å; I126-K129 PolarHBondContact O-N 2.98Å
127R97Very high93.6Very high116 Ų11657.9 Ų57.944%0.43829%0.291SS..Hα-helixtrans-68-32.5176.9-71.3-170.3173.8-159.2-8.9112I123 I124 L125 K129 I130 I183I123-R127 PolarHBondContact O-N 3.35Å; I124-R127 PolarHBondContact O-N 3.09Å; I124-R127 VanDerWaalsContact O-N 3.17Å; L125-R127 VanDerWaalsContact C-N 3.33Å; L125-R127 PolarHBondContact O-N 2.67Å; R127-K129 VanDerWaalsContact C-N 3.33Å; R127-I130 WeakPolarHBondContact O-CG1 3.36Å; R127-I130 PolarHBondContact O-N 2.87Å; R127-I183 HydrophobicContact CB-CG2 3.77Å; R127-I183 WeakPolarHBondContact CD-O 3.46Å; R127-I183 PolarHBondContact NH1-O 3.42Å
128L96.5Very high93.6Very high0 Ų059.3 Ų59.30%030%0.298CS..Hα-helixtrans-68.6-33.6176.9-162.171.4000111.7V21 L24 Y25 L96 I124 L125 I126 I130 I131 I183V21-L128 HydrophobicContact CG1-CD2 4.03Å; L24-L128 HydrophobicContact CB-CD2 4.11Å; L24-L128 HydrophobicContact CD2-CB 3.84Å; L24-L128 HydrophobicContact CD2-CD2 3.88Å; L24-L128 HydrophobicContact CD2-CG 4.15Å; L24-L128 HydrophobicContact CG-CB 4.46Å; L24-L128 HydrophobicContact CG-CD2 3.93Å; L24-L128 HydrophobicContact CG-CG 4.26Å; Y25-L128 HydrophobicContact CD2-CD1 4.3Å; L96-L128 HydrophobicContact CD1-CD1 3.89Å; L96-L128 HydrophobicContact CD2-CD1 3.84Å; L96-L128 HydrophobicContact CD2-CD2 4.01Å; I124-L128 WeakPolarHBondContact O-CB 3.22Å; I124-L128 PolarHBondContact O-N 2.82Å; L125-L128 PolarHBondContact O-N 3.01Å; L125-L128 VanDerWaalsContact O-N 3.13Å; I126-L128 VanDerWaalsContact C-N 3.29Å; I126-L128 PolarHBondContact O-N 3.34Å; L128-I130 PolarHBondContact O-N 3.48Å; L128-I130 VanDerWaalsContact O-N 3.09Å; L128-I131 HydrophobicContact CD1-CD1 3.92Å; L128-I131 HydrophobicContact CD1-CG2 3.84Å; L128-I131 HydrophobicContact CG-CD1 4.33Å; L128-I131 HydrophobicContact CG-CG2 4.45Å; L128-I131 VanDerWaalsContact O-CG1 3.31Å; L128-I131 WeakPolarHBondContact O-CG1 3.44Å; L128-I131 WeakPolarHBondContact O-CG2 3.43Å; L128-I131 PolarHBondContact O-N 3.47Å; L128-I183 HydrophobicContact CD1-CD1 3.82Å
129K95.6Very high93.3Very high82 Ų8264.9 Ų64.936%0.35732%0.324SS..THydrogen-bonded Turntrans-62.5-12.6175.7-72.9-174.969.8160.70115.3L24 H46 L47 L125 I126 R127L24-K129 HydrophobicContact CD1-CG 3.9Å; L24-K129 HydrophobicContact CD2-CG 3.86Å; L24-K129 HydrophobicContact CG-CG 4.48Å; H46-K129 PolarHBondContact O-NZ 3.28Å; L47-K129 HydrophobicContact CD2-CD 4.12Å; L125-K129 WeakPolarHBondContact O-CG 3.39Å; L125-K129 PolarHBondContact O-N 2.93Å; I126-K129 WeakPolarHBondContact O-CB 3.37Å; I126-K129 PolarHBondContact O-N 2.98Å; R127-K129 VanDerWaalsContact C-N 3.33Å
130I94Very high92.9Very high92 Ų9264.3 Ų64.347%0.47232%0.32SS..THydrogen-bonded Turntrans-118.314.1-178.262.7167.6000111.9R127 L128 D132 S133 F134R127-I130 WeakPolarHBondContact O-CG1 3.36Å; R127-I130 PolarHBondContact O-N 2.87Å; L128-I130 PolarHBondContact O-N 3.48Å; L128-I130 VanDerWaalsContact O-N 3.09Å; I130-D132 PolarHBondContact O-N 2.82Å; I130-S133 WeakPolarHBondContact O-CB 3.25Å; I130-S133 PolarHBondContact O-N 3.38Å; I130-S133 PolarHBondContact O-OG 3.03Å; I130-F134 WeakPolarHBondContact O-CE1 3.4Å
131I93.1Very high92.5Very high1 Ų168.9 Ų68.91%0.00534%0.344CS..G310 helixtrans-64.3-30.3-179.264.6-176.2000113.3Y25 E28 R29 L128 S133 F134 L135Y25-I131 HydrophobicContact CD2-CD1 3.65Å; Y25-I131 HydrophobicContact CE2-CD1 3.9Å; E28-I131 HydrophobicContact CB-CD1 3.85Å; E28-I131 HydrophobicContact CB-CG1 3.84Å; R29-I131 HydrophobicContact CG-CD1 4.09Å; L128-I131 HydrophobicContact CD1-CD1 3.92Å; L128-I131 HydrophobicContact CD1-CG2 3.84Å; L128-I131 HydrophobicContact CG-CD1 4.33Å; L128-I131 HydrophobicContact CG-CG2 4.45Å; L128-I131 VanDerWaalsContact O-CG1 3.31Å; L128-I131 WeakPolarHBondContact O-CG1 3.44Å; L128-I131 WeakPolarHBondContact O-CG2 3.43Å; L128-I131 PolarHBondContact O-N 3.47Å; I131-S133 PolarHBondContact O-N 3.23Å; I131-F134 HydrophobicContact CB-CE1 4.33Å; I131-F134 HydrophobicContact CB-CE2 4.32Å; I131-F134 HydrophobicContact CB-CZ 3.86Å; I131-F134 HydrophobicContact CG2-CE1 4.31Å; I131-F134 HydrophobicContact CG2-CE2 4.43Å; I131-F134 HydrophobicContact CG2-CZ 3.69Å; I131-F134 PolarHBondContact O-N 2.89Å; I131-L135 HydrophobicContact CB-CD1 3.9Å; I131-L135 HydrophobicContact CD1-CD1 4.39Å; I131-L135 HydrophobicContact CG1-CD1 4.24Å; I131-L135 WeakPolarHBondContact O-CB 3.29Å; I131-L135 VanDerWaalsContact O-CG 3.28Å; I131-L135 WeakPolarHBondContact O-CG 3.35Å; I131-L135 PolarHBondContact O-N 2.87Å; I131-L135 VanDerWaalsContact O-N 3.09Å
132D87.9Confident92.4Very high76 Ų7669.8 Ų69.841%0.40635%0.349SS..G310 helixtrans-62-22.717769.2-23.9000112.8I130 F134I130-D132 PolarHBondContact O-N 2.82Å; D132-F134 VanDerWaalsContact C-N 3.25Å; D132-F134 PolarHBondContact O-N 3.39Å
133S89Confident92.2Very high92 Ų9271.5 Ų71.564%0.64336%0.358SS*.G310 helixtrans-70.4-18178.371.70000114.2I130 I131I130-S133 WeakPolarHBondContact O-CB 3.25Å; I130-S133 PolarHBondContact O-N 3.38Å; I130-S133 PolarHBondContact O-OG 3.03Å; I131-S133 PolarHBondContact O-N 3.23Å
134F88Confident92.1Very high96 Ų9668.6 Ų68.642%0.42134%0.343SS..THydrogen-bonded Turntrans-129.9-1.9-179.257.8-99.3000114.2I130 I131 D132I130-F134 WeakPolarHBondContact O-CE1 3.4Å; I131-F134 HydrophobicContact CB-CE1 4.33Å; I131-F134 HydrophobicContact CB-CE2 4.32Å; I131-F134 HydrophobicContact CB-CZ 3.86Å; I131-F134 HydrophobicContact CG2-CE1 4.31Å; I131-F134 HydrophobicContact CG2-CE2 4.43Å; I131-F134 HydrophobicContact CG2-CZ 3.69Å; I131-F134 PolarHBondContact O-N 2.89Å; D132-F134 VanDerWaalsContact C-N 3.25Å; D132-F134 PolarHBondContact O-N 3.39Å
135L90.2Very high91.9Very high9 Ų971 Ų715%0.04735%0.354CS..SBendtrans-107.8141.2174.9-58.7175.7000110.6I131 Y181 L197 Q199I131-L135 HydrophobicContact CB-CD1 3.9Å; I131-L135 HydrophobicContact CD1-CD1 4.39Å; I131-L135 HydrophobicContact CG1-CD1 4.24Å; I131-L135 WeakPolarHBondContact O-CB 3.29Å; I131-L135 VanDerWaalsContact O-CG 3.28Å; I131-L135 WeakPolarHBondContact O-CG 3.35Å; I131-L135 PolarHBondContact O-N 2.87Å; I131-L135 VanDerWaalsContact O-N 3.09Å; L135-Y181 HydrophobicContact CD2-CD2 4.5Å; L135-L197 HydrophobicContact CD1-CD2 3.42Å; L135-L197 VanDerWaalsContact CD1-CD2 3.42Å; L135-L197 HydrophobicContact CD2-CD2 3.3Å; L135-L197 HydrophobicContact CG-CD2 3.98Å; L135-Q199 HydrophobicContact CD2-CG 4.39Å
136Q89.6Confident91.7Very high153 Ų15371 Ų7172%0.71535%0.354SS*.PPolyproline II helixtrans-65.3146.8171.5-69.4-177-24.200110.8R29R29-Q136 PolarHBondContact NH1-O 2.93Å; R29-Q136 PolarHBondContact NH2-O 3.39Å
137P90.6Very high91.5Very high101 Ų10167.4 Ų67.466%0.65634%0.335SS*.PPolyproline II helixtrans-57.1149.4170.5-23.234.3000111.8E139P137-E139 PolarHBondContact O-N 3.09Å
138L90.2Very high91.4Very high35 Ų3561.9 Ų61.918%0.18331%0.314CS..PPolyproline II helixtrans-74.3119.3169.8-62.4171.3000108.5R29 V31 I80 V93 T142R29-L138 HydrophobicContact CB-CD1 4.15Å; R29-L138 WeakPolarHBondContact O-CD1 3.41Å; V31-L138 HydrophobicContact CG2-CD1 4.48Å; I80-L138 HydrophobicContact CD1-CD1 4.32Å; I80-L138 HydrophobicContact CG2-CD1 3.94Å; V93-L138 HydrophobicContact CG1-CD2 3.96Å; L138-T142 HydrophobicContact CB-CG2 4.29Å; L138-T142 HydrophobicContact CD1-CG2 3.94Å; L138-T142 HydrophobicContact CD2-CG2 4.43Å; L138-T142 HydrophobicContact CG-CG2 4.45Å
139E85.1Confident91.1Very high177 Ų17763.4 Ų63.483%0.82732%0.321SS*.  trans-89.1-3.7-173-60.7-171.3153.700114.2P137P137-E139 PolarHBondContact O-N 3.09Å
140F84.8Confident90.9Very high97 Ų9759.5 Ų59.543%0.42530%0.304SS..SBendtrans-135.2164.3-174.643.2-99.5000110.5V93 T142V93-F140 HydrophobicContact CB-CE2 4.46Å; V93-F140 HydrophobicContact CB-CZ 4.25Å; V93-F140 HydrophobicContact CG1-CE2 4.28Å; V93-F140 HydrophobicContact CG1-CZ 3.72Å; V93-F140 HydrophobicContact CG2-CE2 3.6Å; V93-F140 HydrophobicContact CG2-CZ 3.53Å; F140-T142 HydrophobicContact CD2-CG2 3.56Å; F140-T142 HydrophobicContact CE2-CG2 3.46Å; F140-T142 VanDerWaalsContact CE2-CG2 3.46Å; F140-T142 PolarHBondContact O-N 3.16Å
141E87.7Confident90.5Very high151 Ų15159.1 Ų59.171%0.70631%0.309SS*.  trans-62.3130.8173.7-65.6-172.7173.900110I83I83-E141 HydrophobicContact CB-CB 4.25Å; I83-E141 HydrophobicContact CD1-CB 4.18Å; I83-E141 HydrophobicContact CG1-CB 4.49Å; I83-E141 PolarHBondContact N-O 3.33Å
142T92.1Very high89.9Confident19 Ų1960.9 Ų60.912%0.11732%0.321CS..EExtended strand (participates in β ladder)trans-122.9151.5-177.154.10000112I80 K81 L138 F140I80-T142 HydrophobicContact CG2-CG2 3.82Å; K81-T142 CarbonylContact O-C 3.56Å; K81-T142 VanDerWaalsContact O-CA 3.25Å; K81-T142 WeakPolarHBondContact O-CA 3.39Å; K81-T142 WeakPolarHBondContact O-CB 3.32Å; L138-T142 HydrophobicContact CB-CG2 4.29Å; L138-T142 HydrophobicContact CD1-CG2 3.94Å; L138-T142 HydrophobicContact CD2-CG2 4.43Å; L138-T142 HydrophobicContact CG-CG2 4.45Å; F140-T142 HydrophobicContact CD2-CG2 3.56Å; F140-T142 HydrophobicContact CE2-CG2 3.46Å; F140-T142 VanDerWaalsContact CE2-CG2 3.46Å; F140-T142 PolarHBondContact O-N 3.16Å
143T92.9Very high89Confident50 Ų5061.7 Ų61.731%0.30733%0.332SS..EExtended strand (participates in β ladder)trans-121.9176.8166.4-1700000108.4I80 K81 I83I80-T143 CarbonylContact C-O 3.53Å; I80-T143 WeakPolarHBondContact CA-O 3.25Å; K81-T143 HydrophobicContact CB-CG2 4.04Å; K81-T143 PolarHBondContact N-O 3.26Å; K81-T143 PolarHBondContact O-N 3.46Å; I83-T143 HydrophobicContact CG1-CG2 4.17Å
144W95.3Very high87.9Confident7 Ų760.8 Ų60.83%0.02733%0.326CS..EExtended strand (participates in β ladder)trans-143.4155.3177.771.7-79.4000112.3I22 L26 Y32 Y58 I59 V78 V79 I80 P146I22-W144 HydrophobicContact CG2-CH2 3.78Å; I22-W144 HydrophobicContact CG2-CZ2 4.29Å; I22-W144 HydrophobicContact CG2-CZ3 3.94Å; L26-W144 HydrophobicContact CD1-CD2 4.16Å; L26-W144 HydrophobicContact CD1-CG 4.5Å; L26-W144 HydrophobicContact CD1-CZ2 3.89Å; L26-W144 HydrophobicContact CD2-CB 3.99Å; L26-W144 HydrophobicContact CD2-CD2 3.87Å; L26-W144 HydrophobicContact CD2-CG 3.51Å; Y32-W144 AromaticContact CE2-CD1 3.99Å; Y32-W144 AromaticContact CE2-NE1 3.68Å; Y32-W144 AromaticContact CZ-NE1 3.89Å; Y32-W144 PolarHBondContact OH-NE1 3.5Å; Y58-W144 AromaticContact CD1-CH2 3.69Å; Y58-W144 HydrophobicContact CD1-CH2 3.69Å; Y58-W144 AromaticContact CD1-CZ2 3.47Å; Y58-W144 HydrophobicContact CD1-CZ2 3.47Å; Y58-W144 VanDerWaalsContact CD1-CZ2 3.47Å; Y58-W144 AromaticContact CE1-CH2 3.6Å; Y58-W144 HydrophobicContact CE1-CH2 3.6Å; Y58-W144 AromaticContact CE1-CZ2 3.63Å; Y58-W144 HydrophobicContact CE1-CZ2 3.63Å; Y58-W144 HydrophobicContact CE1-CZ3 4.1Å; I59-W144 HydrophobicContact CD1-CH2 4.43Å; I59-W144 HydrophobicContact CD1-CZ2 4.15Å; I59-W144 HydrophobicContact CG1-CH2 3.6Å; I59-W144 HydrophobicContact CG1-CZ2 3.63Å; V78-W144 HydrophobicContact CG1-CD2 4.48Å; V78-W144 HydrophobicContact CG1-CE3 3.75Å; V78-W144 HydrophobicContact CG1-CZ3 4.29Å; V79-W144 CarbonylContact O-C 3.6Å; V79-W144 WeakPolarHBondContact O-CA 3.31Å; V79-W144 WeakPolarHBondContact O-CB 3.22Å; I80-W144 HydrophobicContact CG1-CB 4.33Å; W144-P146 HydrophobicContact CZ3-CB 4.14Å; W144-P146 HydrophobicContact CZ3-CG 3.99Å
145E93.8Very high86.8Confident51 Ų5157.6 Ų57.624%0.23831%0.314CS..EExtended strand (participates in β ladder)trans-140136.3178-69.8170.6-173.800109.7V79 K81 W147V79-E145 WeakPolarHBondContact CB-O 3.07Å; V79-E145 PolarHBondContact N-O 3.33Å; V79-E145 PolarHBondContact O-N 3.27Å; K81-E145 VanDerWaalsContact CD-CD 3.5Å; K81-E145 HydrophobicContact CD-CG 4.12Å; K81-E145 VanDerWaalsContact CD-OE2 3.32Å; K81-E145 WeakPolarHBondContact CD-OE2 3.43Å; K81-E145 IonicContact NZ-OE1 2.7Å; K81-E145 PolarHBondContact NZ-OE1 3.03Å; K81-E145 IonicContact NZ-OE2 2.85Å; K81-E145 PolarHBondContact NZ-OE2 3.37Å; E145-W147 PolarHBondContact OE2-NE1 2.88Å
146P95.1Very high85.4Confident0 Ų060.6 Ų60.60%033%0.327CS..EExtended strand (participates in β ladder)trans-82.3125.3169.529.5-24.7000109.8Y58 C62 F76 R77 W144 S163 W164 S165Y58-P146 WeakPolarHBondContact OH-CD 3.36Å; C62-P146 HydrophobicContact CB-CG 4.43Å; F76-P146 HydrophobicContact CE2-CB 3.85Å; F76-P146 HydrophobicContact CZ-CB 3.67Å; R77-P146 CarbonylContact O-C 3.46Å; R77-P146 VanDerWaalsContact O-CA 3.27Å; R77-P146 WeakPolarHBondContact O-CA 3.27Å; W144-P146 HydrophobicContact CZ3-CB 4.14Å; W144-P146 HydrophobicContact CZ3-CG 3.99Å; P146-S163 WeakPolarHBondContact CG-O 3.49Å; P146-W164 HydrophobicContact CB-CB 4.26Å; P146-W164 HydrophobicContact CG-CB 3.99Å; P146-W164 VanDerWaalsContact O-CA 3.3Å; P146-W164 WeakPolarHBondContact O-CA 3.33Å; P146-W164 WeakPolarHBondContact O-CB 3.34Å; P146-S165 PolarHBondContact O-N 2.86Å
147W93.9Very high84Confident11 Ų1159.9 Ų59.94%0.04233%0.329CS..EExtended strand (participates in β ladder)trans-113143175-61.80.5000111F76 R77 V79 P92 E145 S165 I167 N171 T175F76-W147 CarbonylContact C-O 3.6Å; F76-W147 WeakPolarHBondContact CA-O 3.42Å; R77-W147 HydrophobicContact CB-CB 4.23Å; R77-W147 PolarHBondContact N-O 2.87Å; R77-W147 PolarHBondContact O-N 3.09Å; V79-W147 HydrophobicContact CB-CD2 4.34Å; V79-W147 HydrophobicContact CG1-CH2 4.4Å; V79-W147 HydrophobicContact CG1-CZ2 4.17Å; V79-W147 HydrophobicContact CG2-CB 4.21Å; V79-W147 HydrophobicContact CG2-CD2 3.49Å; V79-W147 VanDerWaalsContact CG2-CD2 3.49Å; V79-W147 HydrophobicContact CG2-CE3 3.79Å; V79-W147 HydrophobicContact CG2-CG 3.67Å; V79-W147 HydrophobicContact CG2-CZ2 4.43Å; V79-W147 HydrophobicContact CG2-CZ3 4.36Å; P92-W147 HydrophobicContact CG-CH2 3.8Å; P92-W147 HydrophobicContact CG-CZ2 4.28Å; E145-W147 PolarHBondContact OE2-NE1 2.88Å; W147-S165 CarbonylContact C-O 3.58Å; W147-S165 VanDerWaalsContact CA-O 3.22Å; W147-S165 WeakPolarHBondContact CA-O 3.22Å; W147-I167 HydrophobicContact CB-CD1 4.13Å; W147-I167 HydrophobicContact CB-CG1 3.66Å; W147-I167 HydrophobicContact CE3-CG1 4.35Å; W147-N171 HydrophobicContact CE3-CB 4.39Å; W147-N171 HydrophobicContact CH2-CB 4.13Å; W147-N171 HydrophobicContact CZ3-CB 3.73Å; W147-T175 HydrophobicContact CZ3-CG2 4.22Å
148V93.3Very high82.6Confident0 Ų058.9 Ų58.90%032%0.315CS..EExtended strand (participates in β ladder)trans-132139.6-175.4-170.30000110.9L66 I73 E75 F76 F150 W164 S165 L166 I167L66-V148 HydrophobicContact CD1-CG2 3.92Å; L66-V148 HydrophobicContact CD2-CB 4.39Å; L66-V148 HydrophobicContact CD2-CG1 4.04Å; L66-V148 HydrophobicContact CD2-CG2 3.83Å; I73-V148 HydrophobicContact CD1-CG1 4.16Å; I73-V148 HydrophobicContact CG1-CG1 3.95Å; I73-V148 HydrophobicContact CG2-CG1 4.02Å; E75-V148 CarbonylContact O-C 3.48Å; E75-V148 WeakPolarHBondContact O-CA 3.33Å; F76-V148 HydrophobicContact CD2-CG2 3.65Å; F76-V148 HydrophobicContact CE2-CG2 3.99Å; V148-F150 HydrophobicContact CB-CE2 4.29Å; V148-F150 HydrophobicContact CB-CZ 4.47Å; V148-F150 HydrophobicContact CG1-CD2 4.27Å; V148-F150 HydrophobicContact CG1-CE1 4.06Å; V148-F150 HydrophobicContact CG1-CE2 3.79Å; V148-F150 HydrophobicContact CG1-CZ 3.68Å; V148-W164 HydrophobicContact CB-CE3 4.22Å; V148-W164 HydrophobicContact CG2-CB 4Å; V148-W164 HydrophobicContact CG2-CD2 4.18Å; V148-W164 HydrophobicContact CG2-CE3 4.25Å; V148-W164 HydrophobicContact CG2-CG 4.07Å; V148-S165 PolarHBondContact N-O 2.76Å; V148-L166 CarbonylContact O-C 3.49Å; V148-L166 WeakPolarHBondContact O-CA 3.48Å; V148-L166 WeakPolarHBondContact O-CD1 3.36Å; V148-I167 PolarHBondContact O-N 2.94Å
149H91.9Very high81.2Confident31 Ų3160.9 Ų60.914%0.14433%0.326CS..EExtended strand (participates in β ladder)trans-115.8140.3164.4-171.3-92.5000108.8D74 E75 I167D74-H149 PolarHBondContact N-O 2.84Å; D74-H149 VanDerWaalsContact OD1-C 3.23Å; D74-H149 WeakPolarHBondContact OD1-CB 3.46Å; D74-H149 IonicContact OD1-CE1 3.29Å; D74-H149 IonicContact OD1-CG 2.88Å; D74-H149 IonicContact OD1-ND1 3.67Å; D74-H149 PolarHBondContact OD1-ND1 2.8Å; D74-H149 IonicContact OD2-CE1 2.67Å; D74-H149 PolarHBondContact OD2-CE1 3.35Å; D74-H149 VanDerWaalsContact OD2-CE1 3.29Å; D74-H149 IonicContact OD2-ND1 3.69Å; D74-H149 PolarHBondContact OD2-ND1 3.31Å; E75-H149 HydrophobicContact CB-CB 3.94Å; E75-H149 PolarHBondContact O-N 2.61Å; H149-I167 HydrophobicContact CB-CB 4.08Å; H149-I167 HydrophobicContact CB-CD1 4.03Å; H149-I167 HydrophobicContact CB-CG1 4.43Å
150F90.2Very high79.8Confident0 Ų058.7 Ų58.70%033%0.327CS..EExtended strand (participates in β ladder)trans-113.8138.6175.2-61.3-84.3000109.2L66 Q69 E72 I73 V148 S152 N155 W164 L166L66-F150 HydrophobicContact CD2-CE1 4.47Å; L66-F150 HydrophobicContact CD2-CZ 3.92Å; Q69-F150 HydrophobicContact CB-CD1 4.44Å; Q69-F150 HydrophobicContact CB-CE1 3.78Å; E72-F150 HydrophobicContact CB-CD1 4.23Å; E72-F150 CarbonylContact O-C 3.43Å; E72-F150 WeakPolarHBondContact O-CA 3.42Å; I73-F150 HydrophobicContact CD1-CE1 4.26Å; I73-F150 HydrophobicContact CG1-CD1 3.82Å; I73-F150 HydrophobicContact CG1-CE1 3.53Å; I73-F150 HydrophobicContact CG1-CZ 4.43Å; V148-F150 HydrophobicContact CB-CE2 4.29Å; V148-F150 HydrophobicContact CB-CZ 4.47Å; V148-F150 HydrophobicContact CG1-CD2 4.27Å; V148-F150 HydrophobicContact CG1-CE1 4.06Å; V148-F150 HydrophobicContact CG1-CE2 3.79Å; V148-F150 HydrophobicContact CG1-CZ 3.68Å; F150-S152 PolarHBondContact O-N 3.01Å; F150-N155 HydrophobicContact CB-CB 4.3Å; F150-N155 HydrophobicContact CD1-CB 4.3Å; F150-N155 HydrophobicContact CD2-CB 4.3Å; F150-N155 HydrophobicContact CG-CB 4.05Å; F150-W164 AromaticContact CE2-CH2 3.6Å; F150-W164 HydrophobicContact CE2-CH2 3.6Å; F150-W164 HydrophobicContact CE2-CZ2 4.26Å; F150-W164 AromaticContact CE2-CZ3 3.8Å; F150-W164 HydrophobicContact CE2-CZ3 3.8Å; F150-W164 AromaticContact CZ-CH2 3.93Å; F150-W164 HydrophobicContact CZ-CH2 3.93Å; F150-W164 HydrophobicContact CZ-CZ2 4.11Å; F150-W164 HydrophobicContact CZ-CZ3 4.4Å; F150-L166 HydrophobicContact CD2-CD1 3.81Å; F150-L166 HydrophobicContact CE2-CD1 4.18Å
151C86.9Confident78.8Confident85 Ų8559.2 Ų59.257%0.57434%0.338SS*.SBendtrans-65.8-28.2177.865.60000112.4E72 D74E72-C151 PolarHBondContact O-N 2.66Å; E72-C151 PolarHBondContact O-SG 2.65Å; D74-C151 HydrophobicContact CB-CB 4.37Å
152S79Confident78.1Confident37 Ų3755 Ų5526%0.25932%0.32SS..SBendtrans-98.3129.2177.3179.90000111.2F150 S154 N155F150-S152 PolarHBondContact O-N 3.01Å; S152-S154 PolarHBondContact O-N 2.98Å; S152-S154 PolarHBondContact OG-OG 3.44Å; S152-N155 PolarHBondContact O-N 3.31Å
153S69.7Low77.6Confident93 Ų9355.3 Ų55.365%0.6532%0.322SS*.G310 helixtrans-64.5-24.1178.355.90000113.5N155 Q156S153-N155 PolarHBondContact O-N 2.69Å; S153-Q156 WeakPolarHBondContact O-CB 3.36Å; S153-Q156 PolarHBondContact O-N 2.91Å; S153-Q156 VanDerWaalsContact O-N 3.16Å
154S66.5Low77.4Confident73 Ų7353.5 Ų53.551%0.5131%0.31SS..G310 helixtrans-63.5-26.6-178.259.80000114S152S152-S154 PolarHBondContact O-N 2.98Å; S152-S154 PolarHBondContact OG-OG 3.44Å
155N63.5Low77Confident30 Ų3055.2 Ų55.216%0.1632%0.323CS..G310 helixtrans-94.46.2179.5-60.1-55.6000113.7Q69 E72 F150 S152 S153 N157Q69-N155 PolarHBondContact NE2-OD1 3.35Å; E72-N155 PolarHBondContact OE1-ND2 2.8Å; E72-N155 PolarHBondContact OE2-ND2 2.81Å; F150-N155 HydrophobicContact CB-CB 4.3Å; F150-N155 HydrophobicContact CD1-CB 4.3Å; F150-N155 HydrophobicContact CD2-CB 4.3Å; F150-N155 HydrophobicContact CG-CB 4.05Å; S152-N155 PolarHBondContact O-N 3.31Å; S153-N155 PolarHBondContact O-N 2.69Å; N155-N157 PolarHBondContact O-N 3Å
156Q62.3Low76.8Confident71 Ų7153.1 Ų53.133%0.33231%0.313SS..  trans-81.13.3179.5-65.4-170.84.400113.5S153 E158 L166S153-Q156 WeakPolarHBondContact O-CB 3.36Å; S153-Q156 PolarHBondContact O-N 2.91Å; S153-Q156 VanDerWaalsContact O-N 3.16Å; Q156-E158 PolarHBondContact O-N 3.22Å; Q156-E158 VanDerWaalsContact O-N 3.09Å; Q156-L166 HydrophobicContact CB-CD1 4.33Å; Q156-L166 HydrophobicContact CB-CD2 3.59Å; Q156-L166 HydrophobicContact CG-CD1 4.1Å; Q156-L166 HydrophobicContact CG-CD2 3.93Å; Q156-L166 WeakPolarHBondContact O-CD2 3.46Å
157N60.3Low76.3Confident139 Ų13953.4 Ų53.474%0.74332%0.315SS*.  trans-75.897.2172.5-71.3-27.3000109.2N155 N159N155-N157 PolarHBondContact O-N 3Å; N157-N159 PolarHBondContact O-N 3.41Å
158E59.5Low75.3Confident79 Ų7959.2 Ų59.237%0.36934%0.337SS..  trans-55.8120.7169-75.1175.8174.800109.3Q156 L166 R168Q156-E158 PolarHBondContact O-N 3.22Å; Q156-E158 VanDerWaalsContact O-N 3.09Å; E158-L166 HydrophobicContact CG-CB 3.86Å; E158-L166 WeakPolarHBondContact OE1-CB 3.09Å; E158-L166 PolarHBondContact OE1-N 3.35Å; E158-R168 VanDerWaalsContact CD-NH2 3.25Å; E158-R168 IonicContact OE1-NE 3.92Å; E158-R168 IonicContact OE1-NH2 3.57Å; E158-R168 IonicContact OE2-CZ 3.65Å; E158-R168 IonicContact OE2-NH2 2.72Å; E158-R168 PolarHBondContact OE2-NH2 2.79Å
159N61.2Low73.9Confident78 Ų7864.6 Ų64.642%0.41737%0.365SS..  trans-89.6125.3163.3-171-9.3000106.8N157 T161 M162N157-N159 PolarHBondContact O-N 3.41Å; N159-T161 PolarHBondContact ND2-OG1 2.86Å; N159-T161 PolarHBondContact O-N 2.97Å; N159-T161 PolarHBondContact OD1-OG1 3.17Å; N159-M162 HydrophobicContact CB-CE 4.06Å; N159-M162 HydrophobicContact CB-CG 3.9Å; N159-M162 VanDerWaalsContact O-CB 3.31Å; N159-M162 WeakPolarHBondContact O-CB 3.46Å; N159-M162 VanDerWaalsContact O-CG 3.27Å; N159-M162 WeakPolarHBondContact O-CG 3.4Å; N159-M162 PolarHBondContact O-N 3.48Å
160P57Low72.2Confident130 Ų13069.4 Ų69.484%0.84439%0.392SS*.THydrogen-bonded Turntrans-58.6-10.9-178.120.1-33.2000114.4M162P160-M162 VanDerWaalsContact C-N 3.34Å
161T62.1Low70.7Confident109 Ų10971.8 Ų71.867%0.66941%0.405SS*.THydrogen-bonded Turntrans-83.1-7.2172.957.40000114.1N159N159-T161 PolarHBondContact ND2-OG1 2.86Å; N159-T161 PolarHBondContact O-N 2.97Å; N159-T161 PolarHBondContact OD1-OG1 3.17Å
162M72.9Confident69.2Low63 Ų6371.1 Ų71.131%0.3139%0.392SS..  trans-77.5135.3-177.4-63.7-65.2-178.500110.9N159 P160 W164N159-M162 HydrophobicContact CB-CE 4.06Å; N159-M162 HydrophobicContact CB-CG 3.9Å; N159-M162 VanDerWaalsContact O-CB 3.31Å; N159-M162 WeakPolarHBondContact O-CB 3.46Å; N159-M162 VanDerWaalsContact O-CG 3.27Å; N159-M162 WeakPolarHBondContact O-CG 3.4Å; N159-M162 PolarHBondContact O-N 3.48Å; P160-M162 VanDerWaalsContact C-N 3.34Å; M162-W164 HydrophobicContact CB-CD2 4.1Å; M162-W164 HydrophobicContact CB-CG 4.39Å; M162-W164 HydrophobicContact CB-CZ2 4.07Å; M162-W164 HydrophobicContact CE-CZ2 4.46Å; M162-W164 HydrophobicContact CG-CH2 4.38Å; M162-W164 HydrophobicContact CG-CZ2 3.74Å; M162-W164 PolarHBondContact O-N 3.39Å; M162-W164 VanDerWaalsContact O-N 3.14Å; M162-W164 HydrophobicContact SD-CZ2 3.96Å
163S83.1Confident68Low24 Ų2475.1 Ų75.117%0.16841%0.411CS..SBendtrans-78.214.3178.3-60.40000113.6Y58 P146Y58-S163 VanDerWaalsContact CE2-CB 3.46Å; Y58-S163 VanDerWaalsContact CE2-O 3.26Å; Y58-S163 WeakPolarHBondContact CE2-O 3.45Å; Y58-S163 VanDerWaalsContact CZ-O 3.31Å; Y58-S163 PolarHBondContact OH-O 3.08Å; P146-S163 WeakPolarHBondContact CG-O 3.49Å
164W88.3Confident67.5Low12 Ų1273.3 Ų73.35%0.04540%0.396CS..SBendtrans-137.9159.3-179.252.1-98.6000112S65 L66 P146 V148 F150 M162S65-W164 PolarHBondContact OG-NE1 3.44Å; L66-W164 HydrophobicContact CD2-CD2 4.05Å; L66-W164 HydrophobicContact CD2-CG 4.1Å; L66-W164 HydrophobicContact CD2-CZ2 4.21Å; L66-W164 HydrophobicContact CG-CG 4.43Å; P146-W164 HydrophobicContact CB-CB 4.26Å; P146-W164 HydrophobicContact CG-CB 3.99Å; P146-W164 VanDerWaalsContact O-CA 3.3Å; P146-W164 WeakPolarHBondContact O-CA 3.33Å; P146-W164 WeakPolarHBondContact O-CB 3.34Å; V148-W164 HydrophobicContact CB-CE3 4.22Å; V148-W164 HydrophobicContact CG2-CB 4Å; V148-W164 HydrophobicContact CG2-CD2 4.18Å; V148-W164 HydrophobicContact CG2-CE3 4.25Å; V148-W164 HydrophobicContact CG2-CG 4.07Å; F150-W164 AromaticContact CE2-CH2 3.6Å; F150-W164 HydrophobicContact CE2-CH2 3.6Å; F150-W164 HydrophobicContact CE2-CZ2 4.26Å; F150-W164 AromaticContact CE2-CZ3 3.8Å; F150-W164 HydrophobicContact CE2-CZ3 3.8Å; F150-W164 AromaticContact CZ-CH2 3.93Å; F150-W164 HydrophobicContact CZ-CH2 3.93Å; F150-W164 HydrophobicContact CZ-CZ2 4.11Å; F150-W164 HydrophobicContact CZ-CZ3 4.4Å; M162-W164 HydrophobicContact CB-CD2 4.1Å; M162-W164 HydrophobicContact CB-CG 4.39Å; M162-W164 HydrophobicContact CB-CZ2 4.07Å; M162-W164 HydrophobicContact CE-CZ2 4.46Å; M162-W164 HydrophobicContact CG-CH2 4.38Å; M162-W164 HydrophobicContact CG-CZ2 3.74Å; M162-W164 PolarHBondContact O-N 3.39Å; M162-W164 VanDerWaalsContact O-N 3.14Å; M162-W164 HydrophobicContact SD-CZ2 3.96Å
165S87.6Confident67Low44 Ų4470.1 Ų70.131%0.30837%0.373SS..EExtended strand (participates in β ladder)trans-112.7147.5179.1-550000112.2P146 W147 V148P146-S165 PolarHBondContact O-N 2.86Å; W147-S165 CarbonylContact C-O 3.58Å; W147-S165 VanDerWaalsContact CA-O 3.22Å; W147-S165 WeakPolarHBondContact CA-O 3.22Å; V148-S165 PolarHBondContact N-O 2.76Å
166L87.8Confident66.9Low7 Ų774.9 Ų74.94%0.03740%0.399CS..EExtended strand (participates in β ladder)trans-79.7135.6178.7-168.878000111.4V148 F150 Q156 E158 R168V148-L166 CarbonylContact O-C 3.49Å; V148-L166 WeakPolarHBondContact O-CA 3.48Å; V148-L166 WeakPolarHBondContact O-CD1 3.36Å; F150-L166 HydrophobicContact CD2-CD1 3.81Å; F150-L166 HydrophobicContact CE2-CD1 4.18Å; Q156-L166 HydrophobicContact CB-CD1 4.33Å; Q156-L166 HydrophobicContact CB-CD2 3.59Å; Q156-L166 HydrophobicContact CG-CD1 4.1Å; Q156-L166 HydrophobicContact CG-CD2 3.93Å; Q156-L166 WeakPolarHBondContact O-CD2 3.46Å; E158-L166 HydrophobicContact CG-CB 3.86Å; E158-L166 WeakPolarHBondContact OE1-CB 3.09Å; E158-L166 PolarHBondContact OE1-N 3.35Å; L166-R168 HydrophobicContact CD2-CG 4.32Å; L166-R168 PolarHBondContact O-N 3.18Å
167I84.7Confident67.3Low6 Ų675 Ų753%0.03141%0.408CS..  trans-7297.9171.7-59.2173.7000109E75 R77 W147 V148 H149 K172E75-I167 HydrophobicContact CB-CD1 4.46Å; E75-I167 HydrophobicContact CG-CD1 4.33Å; E75-I167 WeakPolarHBondContact OE1-CD1 3.36Å; R77-I167 HydrophobicContact CG-CD1 3.9Å; W147-I167 HydrophobicContact CB-CD1 4.13Å; W147-I167 HydrophobicContact CB-CG1 3.66Å; W147-I167 HydrophobicContact CE3-CG1 4.35Å; V148-I167 PolarHBondContact O-N 2.94Å; H149-I167 HydrophobicContact CB-CB 4.08Å; H149-I167 HydrophobicContact CB-CD1 4.03Å; H149-I167 HydrophobicContact CB-CG1 4.43Å; I167-K172 HydrophobicContact CG2-CG 4.21Å
168R74.4Confident68.5Low132 Ų13269.7 Ų69.750%0.49839%0.385SS..  trans-90.4162.5176.1-65.4-178-176.9175.33.7112.1E158 L166 N170 N171 K172E158-R168 VanDerWaalsContact CD-NH2 3.25Å; E158-R168 IonicContact OE1-NE 3.92Å; E158-R168 IonicContact OE1-NH2 3.57Å; E158-R168 IonicContact OE2-CZ 3.65Å; E158-R168 IonicContact OE2-NH2 2.72Å; E158-R168 PolarHBondContact OE2-NH2 2.79Å; L166-R168 HydrophobicContact CD2-CG 4.32Å; L166-R168 PolarHBondContact O-N 3.18Å; R168-N170 PolarHBondContact O-N 2.94Å; R168-N170 VanDerWaalsContact O-N 3.17Å; R168-N171 CarbonylContact O-C 3.56Å; R168-N171 WeakPolarHBondContact O-CA 3.48Å; R168-N171 WeakPolarHBondContact O-CB 3.16Å; R168-N171 PolarHBondContact O-N 2.91Å; R168-K172 PolarHBondContact O-N 3.14Å
169N63.7Low70Confident113 Ų11369.1 Ų69.160%0.60439%0.39SS*.Hα-helixtrans-55-34176.7-73.6-13.3000113.5N171 K172 N173N169-N171 VanDerWaalsContact C-N 3.3Å; N169-N171 PolarHBondContact O-N 3.2Å; N169-K172 WeakPolarHBondContact O-CB 3.39Å; N169-K172 PolarHBondContact O-N 3.09Å; N169-K172 VanDerWaalsContact O-N 3.1Å; N169-N173 PolarHBondContact O-N 2.86Å
170N56.4Low71.4Confident133 Ų13369.7 Ų69.771%0.71140%0.396SS*.Hα-helixtrans-63.2-39.6175.3-70.83.5000111.7R168 K172R168-N170 PolarHBondContact O-N 2.94Å; R168-N170 VanDerWaalsContact O-N 3.17Å; N170-K172 VanDerWaalsContact C-N 3.33Å
171N57.4Low73.2Confident49 Ų4967.3 Ų67.326%0.26237%0.371SS..Hα-helixtrans-72.7-30.9174.5-64.111.9000110.2W147 R168 N169 N173 V174 T175W147-N171 HydrophobicContact CE3-CB 4.39Å; W147-N171 HydrophobicContact CH2-CB 4.13Å; W147-N171 HydrophobicContact CZ3-CB 3.73Å; R168-N171 CarbonylContact O-C 3.56Å; R168-N171 WeakPolarHBondContact O-CA 3.48Å; R168-N171 WeakPolarHBondContact O-CB 3.16Å; R168-N171 PolarHBondContact O-N 2.91Å; N169-N171 VanDerWaalsContact C-N 3.3Å; N169-N171 PolarHBondContact O-N 3.2Å; N171-N173 PolarHBondContact O-N 3.17Å; N171-V174 CarbonylContact O-C 3.57Å; N171-V174 WeakPolarHBondContact O-CA 2.97Å; N171-V174 WeakPolarHBondContact O-CB 3.47Å; N171-V174 PolarHBondContact O-N 2.92Å; N171-T175 WeakPolarHBondContact O-CG2 3.31Å; N171-T175 PolarHBondContact O-N 2.86Å
172K55.6Low74.7Confident71 Ų7167.5 Ų67.531%0.30937%0.374SS..Hα-helixtrans-56.4-35.9177.7-73.7-173.6-179.6171.50113.2I167 R168 N169 N170 T175 N176I167-K172 HydrophobicContact CG2-CG 4.21Å; R168-K172 PolarHBondContact O-N 3.14Å; N169-K172 WeakPolarHBondContact O-CB 3.39Å; N169-K172 PolarHBondContact O-N 3.09Å; N169-K172 VanDerWaalsContact O-N 3.1Å; N170-K172 VanDerWaalsContact C-N 3.33Å; K172-T175 WeakPolarHBondContact CA-OG1 3.27Å; K172-T175 PolarHBondContact O-N 2.85Å; K172-T175 VanDerWaalsContact O-N 3.14Å; K172-T175 PolarHBondContact O-OG1 3.22Å; K172-N176 PolarHBondContact O-N 3Å; K172-N176 VanDerWaalsContact O-N 3.08Å; K172-N176 PolarHBondContact O-OD1 2.83Å
173N54.3Low75.8Confident121 Ų12164.8 Ų64.865%0.64736%0.361SS*.Hα-helixtrans-64-43.8176.6-70.1-14.7000111.6N169 N171 T175 N176N169-N173 PolarHBondContact O-N 2.86Å; N171-N173 PolarHBondContact O-N 3.17Å; N173-T175 VanDerWaalsContact C-N 3.3Å; N173-N176 PolarHBondContact O-N 2.92Å
174V58.2Low76.5Confident56 Ų5666.6 Ų66.634%0.33937%0.366SS..Hα-helixtrans-64.6-39.3171.6-175.40000109.8P92 N171 N176 S177 Y200P92-V174 HydrophobicContact CB-CG1 4.26Å; P92-V174 HydrophobicContact CG-CG1 3.99Å; N171-V174 CarbonylContact O-C 3.57Å; N171-V174 WeakPolarHBondContact O-CA 2.97Å; N171-V174 WeakPolarHBondContact O-CB 3.47Å; N171-V174 PolarHBondContact O-N 2.92Å; V174-N176 PolarHBondContact O-N 2.89Å; V174-S177 PolarHBondContact O-N 3.42Å; V174-S177 PolarHBondContact O-OG 2.86Å; V174-Y200 HydrophobicContact CG1-CD1 4.37Å; V174-Y200 HydrophobicContact CG1-CE1 4.48Å; V174-Y200 WeakPolarHBondContact O-CD1 3.49Å; V174-Y200 WeakPolarHBondContact O-CE1 3.42Å
175T57.2Low76.9Confident5 Ų569.5 Ų69.53%0.03139%0.388CS..Hα-helixtrans-66.2-20.6-176.872.30000114.8R77 W147 N171 K172 N173 I198R77-T175 VanDerWaalsContact NH1-CG2 3.26Å; W147-T175 HydrophobicContact CZ3-CG2 4.22Å; N171-T175 WeakPolarHBondContact O-CG2 3.31Å; N171-T175 PolarHBondContact O-N 2.86Å; K172-T175 WeakPolarHBondContact CA-OG1 3.27Å; K172-T175 PolarHBondContact O-N 2.85Å; K172-T175 VanDerWaalsContact O-N 3.14Å; K172-T175 PolarHBondContact O-OG1 3.22Å; N173-T175 VanDerWaalsContact C-N 3.3Å; T175-I198 WeakPolarHBondContact O-CD1 3.46Å
176N61.3Low77.2Confident130 Ų13068 Ų6870%0.69538%0.376SS*.THydrogen-bonded Turntrans-96.7-8.6-175.1-69.9-4.1000113.7K172 N173 V174K172-N176 PolarHBondContact O-N 3Å; K172-N176 VanDerWaalsContact O-N 3.08Å; K172-N176 PolarHBondContact O-OD1 2.83Å; N173-N176 PolarHBondContact O-N 2.92Å; V174-N176 PolarHBondContact O-N 2.89Å
177S71Confident77.5Confident75 Ų7573.6 Ų73.652%0.52440%0.402SS..SBendtrans-103.650.4-173.765.80000112.9V174V174-S177 PolarHBondContact O-N 3.42Å; V174-S177 PolarHBondContact O-OG 2.86Å
178G84Confident77.8Confident26 Ų2675.1 Ų75.127%0.26841%0.411SS..SBendtrans-145161.1-17700000114.2Q199G178-Q199 CarbonylContact C-O 3.58Å; G178-Q199 WeakPolarHBondContact CA-O 3.44Å
179S90.9Very high78.4Confident68 Ų6876.6 Ų76.648%0.47642%0.424SS..EExtended strand (participates in β ladder)trans-73.9126.4173.2-64.40000109.7Y181 I198 Q199S179-Y181 WeakPolarHBondContact O-CD2 3.26Å; S179-Y181 WeakPolarHBondContact O-CE2 3.02Å; S179-I198 WeakPolarHBondContact O-CA 3.38Å; S179-Q199 PolarHBondContact N-O 3.15Å; S179-Q199 PolarHBondContact O-N 2.92Å
180V92.5Very high79.7Confident90 Ų9072.8 Ų72.855%0.54540%0.404SS..EExtended strand (participates in β ladder)trans-96.6122.9-178.2-179.70000110.3F196 L197 I198V180-F196 HydrophobicContact CG1-CB 4.27Å; V180-F196 HydrophobicContact CG1-CD2 3.8Å; V180-F196 HydrophobicContact CG1-CE2 4.48Å; V180-F196 HydrophobicContact CG1-CG 4.27Å; V180-L197 CarbonylContact C-O 3.54Å; V180-L197 WeakPolarHBondContact CA-O 2.98Å; V180-I198 HydrophobicContact CG2-CG1 4.49Å
181Y93.5Very high81.3Confident80 Ų8066.6 Ų66.631%0.31437%0.37SS..EExtended strand (participates in β ladder)trans-112.6106.6176.5-55.9-94.7000109.7L135 S179 I183 F196 L197 Q199L135-Y181 HydrophobicContact CD2-CD2 4.5Å; S179-Y181 WeakPolarHBondContact O-CD2 3.26Å; S179-Y181 WeakPolarHBondContact O-CE2 3.02Å; Y181-I183 PolarHBondContact O-N 2.86Å; Y181-F196 CarbonylContact O-C 3.35Å; Y181-F196 WeakPolarHBondContact O-CA 3.49Å; Y181-F196 WeakPolarHBondContact O-CB 3.44Å; Y181-L197 HydrophobicContact CD2-CD2 4.11Å; Y181-L197 PolarHBondContact N-O 3.13Å; Y181-L197 PolarHBondContact O-N 2.65Å; Y181-Q199 HydrophobicContact CD2-CG 4.25Å; Y181-Q199 HydrophobicContact CE2-CB 4.12Å; Y181-Q199 HydrophobicContact CE2-CG 3.82Å; Y181-Q199 VanDerWaalsContact CE2-OE1 3.31Å; Y181-Q199 PolarHBondContact OH-OE1 3.49Å
182P94.8Very high83.1Confident113 Ų11367.2 Ų67.273%0.73437%0.372SS*.EExtended strand (participates in β ladder)trans-69.2126.4-17927.6-33.3000110.7
183I95.9Very high85Confident6 Ų664 Ų643%0.03136%0.357CS..EExtended strand (participates in β ladder)trans-90.4-59.7174.1-68.4165.5000108.8L96 I124 R127 L128 Y181 V195L96-I183 HydrophobicContact CD1-CD1 3.29Å; I124-I183 HydrophobicContact CG2-CG2 4.45Å; R127-I183 HydrophobicContact CB-CG2 3.77Å; R127-I183 WeakPolarHBondContact CD-O 3.46Å; R127-I183 PolarHBondContact NH1-O 3.42Å; L128-I183 HydrophobicContact CD1-CD1 3.82Å; Y181-I183 PolarHBondContact O-N 2.86Å; I183-V195 WeakPolarHBondContact CA-O 3.3Å; I183-V195 HydrophobicContact CB-CB 4.37Å; I183-V195 HydrophobicContact CB-CG1 4.2Å; I183-V195 WeakPolarHBondContact CB-O 3.5Å; I183-V195 HydrophobicContact CD1-CG1 4.03Å; I183-V195 HydrophobicContact CG2-CG1 4.37Å; I183-V195 PolarHBondContact N-O 2.7Å
184K96.4Very high87.1Confident62 Ų6261.3 Ų61.327%0.2734%0.341SS..EExtended strand (participates in β ladder)trans-167144.8177.6-177.562.3179174.90110.5I123 I124 Q194 V195I123-K184 HydrophobicContact CG2-CD 4.22Å; I123-K184 HydrophobicContact CG2-CG 4.28Å; I124-K184 HydrophobicContact CG1-CB 3.83Å; I124-K184 HydrophobicContact CG1-CG 4.01Å; K184-Q194 WeakPolarHBondContact O-CA 3.11Å; K184-V195 PolarHBondContact N-O 3.39Å; K184-V195 PolarHBondContact O-N 2.8Å
185S96.8Very high89Confident73 Ų7358.8 Ų58.851%0.5133%0.326SS..EExtended strand (participates in β ladder)trans-120.3153.1164.5580000110.6M193S185-M193 WeakPolarHBondContact CA-O 3.32Å
186F95.3Very high90.9Very high12 Ų1259.7 Ų59.75%0.05333%0.329CS..EExtended strand (participates in β ladder)trans-147.2155.6168.768.7-90.7000110.4L117 Y120 F121 I124 I191 M193L117-F186 HydrophobicContact CD1-CE2 3.79Å; L117-F186 HydrophobicContact CD1-CZ 3.76Å; Y120-F186 HydrophobicContact CD1-CB 3.57Å; Y120-F186 HydrophobicContact CD1-CD1 4.35Å; Y120-F186 HydrophobicContact CD1-CD2 4.35Å; Y120-F186 AromaticContact CD1-CG 3.87Å; Y120-F186 HydrophobicContact CD1-CG 3.87Å; Y120-F186 HydrophobicContact CD2-CB 4.21Å; Y120-F186 AromaticContact CD2-CD2 3.49Å; Y120-F186 HydrophobicContact CD2-CD2 3.49Å; Y120-F186 VanDerWaalsContact CD2-CD2 3.49Å; Y120-F186 AromaticContact CD2-CE2 3.92Å; Y120-F186 HydrophobicContact CD2-CE2 3.92Å; Y120-F186 AromaticContact CD2-CG 3.86Å; Y120-F186 HydrophobicContact CD2-CG 3.86Å; Y120-F186 HydrophobicContact CE1-CB 3.7Å; Y120-F186 HydrophobicContact CE1-CG 4.36Å; Y120-F186 HydrophobicContact CE2-CB 4.3Å; Y120-F186 AromaticContact CE2-CD2 3.89Å; Y120-F186 HydrophobicContact CE2-CD2 3.89Å; Y120-F186 HydrophobicContact CE2-CG 4.32Å; Y120-F186 HydrophobicContact CG-CB 3.87Å; Y120-F186 HydrophobicContact CG-CD1 4.01Å; Y120-F186 AromaticContact CG-CD2 3.76Å; Y120-F186 HydrophobicContact CG-CD2 3.76Å; Y120-F186 HydrophobicContact CG-CE1 4.48Å; Y120-F186 HydrophobicContact CG-CE2 4.27Å; Y120-F186 AromaticContact CG-CG 3.61Å; Y120-F186 HydrophobicContact CG-CG 3.61Å; F121-F186 HydrophobicContact CD1-CE1 4.44Å; F121-F186 HydrophobicContact CD1-CZ 4.43Å; F121-F186 HydrophobicContact CE1-CE1 4.26Å; F121-F186 AromaticContact CE1-CZ 3.92Å; F121-F186 HydrophobicContact CE1-CZ 3.92Å; I124-F186 HydrophobicContact CD1-CD1 4.09Å; I124-F186 HydrophobicContact CD1-CE1 3.77Å; F186-I191 HydrophobicContact CE2-CD1 4.16Å; F186-I191 HydrophobicContact CE2-CG1 4.13Å; F186-I191 HydrophobicContact CE2-CG2 3.82Å; F186-I191 HydrophobicContact CZ-CD1 4.1Å; F186-I191 HydrophobicContact CZ-CG1 4.44Å; F186-M193 HydrophobicContact CD1-CB 4.26Å; F186-M193 HydrophobicContact CE1-CB 3.66Å; F186-M193 HydrophobicContact CE1-CG 4.16Å; F186-M193 HydrophobicContact CE1-SD 3.77Å; F186-M193 HydrophobicContact CE2-CB 4.24Å; F186-M193 HydrophobicContact CZ-CB 3.64Å; F186-M193 HydrophobicContact CZ-CG 4.38Å; F186-M193 HydrophobicContact CZ-SD 3.97Å; F186-M193 PolarHBondContact N-O 3.14Å; F186-M193 PolarHBondContact O-N 2.72Å; F186-M193 VanDerWaalsContact O-O 3.09Å
187Q93.5Very high92.5Very high125 Ų12553.6 Ų53.658%0.58430%0.297SS*.EExtended strand (participates in β ladder)trans-142.3137.1178.4-178.3175.6-15.400109.1I191 Q192Q187-I191 CarbonylContact C-O 3.59Å; Q187-I191 WeakPolarHBondContact CA-O 3.42Å; Q187-Q192 HydrophobicContact CB-CG 4.12Å; Q187-Q192 HydrophobicContact CG-CB 4.13Å; Q187-Q192 HydrophobicContact CG-CG 4.03Å
188T90Very high93.6Very high38 Ų3850.4 Ų50.423%0.23327%0.274CS..  trans-130.3-175.1171.266.30000108.2L116 Y120 D190 I191L116-T188 HydrophobicContact CD2-CG2 4.41Å; Y120-T188 HydrophobicContact CE2-CG2 3.77Å; T188-D190 VanDerWaalsContact C-N 3.3Å; T188-D190 PolarHBondContact O-N 3.22Å; T188-D190 PolarHBondContact OG1-N 3.1Å; T188-I191 HydrophobicContact CG2-CG2 4.29Å; T188-I191 PolarHBondContact N-O 3.38Å; T188-I191 WeakPolarHBondContact OG1-CG2 3.31Å; T188-I191 PolarHBondContact OG1-N 2.93Å; T188-I191 PolarHBondContact OG1-O 3.17Å; T188-I191 VanDerWaalsContact OG1-O 3.08Å
189E88.3Confident93.9Very high162 Ų16251.2 Ų51.276%0.75727%0.271SS*.SBendtrans-61.3-38.9173.3-172.7171.4-17800112.1K102K102-E189 VanDerWaalsContact CE-O 3.29Å; K102-E189 WeakPolarHBondContact CE-O 3.18Å; K102-E189 PolarHBondContact NZ-O 3.03Å
190D89.6Confident93.8Very high34 Ų3452.2 Ų52.218%0.18227%0.265CS..SBendtrans-101-27.9-170.9-69.7-60.2000115.1N104 F107 T188N104-D190 HydrophobicContact CB-CB 4.28Å; N104-D190 WeakPolarHBondContact CB-O 3.42Å; N104-D190 PolarHBondContact N-O 2.9Å; N104-D190 PolarHBondContact ND2-OD1 3.45Å; F107-D190 HydrophobicContact CB-CB 3.63Å; F107-D190 HydrophobicContact CD1-CB 3.83Å; F107-D190 HydrophobicContact CD2-CB 3.48Å; F107-D190 VanDerWaalsContact CD2-CB 3.48Å; F107-D190 HydrophobicContact CE1-CB 4.32Å; F107-D190 HydrophobicContact CE2-CB 4Å; F107-D190 HydrophobicContact CG-CB 3.38Å; F107-D190 HydrophobicContact CZ-CB 4.4Å; T188-D190 VanDerWaalsContact C-N 3.3Å; T188-D190 PolarHBondContact O-N 3.22Å; T188-D190 PolarHBondContact OG1-N 3.1Å
191I91Very high93.9Very high2 Ų250.3 Ų50.31%0.0125%0.25CS..EExtended strand (participates in β ladder)trans-131.3133-176.7-176.7169.1000111.6K102 L103 F107 L117 F186 Q187 T188 M193K102-I191 CarbonylContact O-C 3.53Å; K102-I191 WeakPolarHBondContact O-CA 3.25Å; L103-I191 HydrophobicContact CD1-CB 4.34Å; L103-I191 HydrophobicContact CD1-CD1 3.75Å; L103-I191 HydrophobicContact CD1-CG1 3.95Å; F107-I191 HydrophobicContact CE1-CB 4.26Å; F107-I191 HydrophobicContact CE1-CG2 4.16Å; F107-I191 HydrophobicContact CZ-CG2 4.42Å; L117-I191 HydrophobicContact CD1-CD1 4.21Å; L117-I191 HydrophobicContact CD1-CG2 4.3Å; F186-I191 HydrophobicContact CE2-CD1 4.16Å; F186-I191 HydrophobicContact CE2-CG1 4.13Å; F186-I191 HydrophobicContact CE2-CG2 3.82Å; F186-I191 HydrophobicContact CZ-CD1 4.1Å; F186-I191 HydrophobicContact CZ-CG1 4.44Å; Q187-I191 CarbonylContact C-O 3.59Å; Q187-I191 WeakPolarHBondContact CA-O 3.42Å; T188-I191 HydrophobicContact CG2-CG2 4.29Å; T188-I191 PolarHBondContact N-O 3.38Å; T188-I191 WeakPolarHBondContact OG1-CG2 3.31Å; T188-I191 PolarHBondContact OG1-N 2.93Å; T188-I191 PolarHBondContact OG1-O 3.17Å; T188-I191 VanDerWaalsContact OG1-O 3.08Å; I191-M193 HydrophobicContact CG1-CB 4.38Å
192Q95.2Very high93.9Very high63 Ų6348.7 Ų48.729%0.29425%0.247SC..EExtended strand (participates in β ladder)trans-125.1117167.3-174.3-176.9-4.100108.1F100 N101 K102 Q187F100-Q192 CarbonylContact C-O 3.6Å; N101-Q192 HydrophobicContact CB-CB 4.25Å; N101-Q192 HydrophobicContact CB-CG 4.01Å; N101-Q192 PolarHBondContact N-O 3.25Å; K102-Q192 HydrophobicContact CB-CB 3.68Å; K102-Q192 PolarHBondContact N-O 3.39Å; K102-Q192 PolarHBondContact O-N 2.89Å; Q187-Q192 HydrophobicContact CB-CG 4.12Å; Q187-Q192 HydrophobicContact CG-CB 4.13Å; Q187-Q192 HydrophobicContact CG-CG 4.03Å
193M96.5Very high93.8Very high2 Ų245.2 Ų45.21%0.0122%0.22CC..EExtended strand (participates in β ladder)trans-133.8144.9-175.6-171.4-170.3178.800110.6F17 L98 Q99 F100 F121 S185 F186 I191 V195F17-M193 HydrophobicContact CE1-CE 3.56Å; F17-M193 HydrophobicContact CE1-SD 4.06Å; F17-M193 HydrophobicContact CZ-CE 4.29Å; L98-M193 HydrophobicContact CB-CE 3.64Å; L98-M193 HydrophobicContact CD2-CE 3.85Å; L98-M193 HydrophobicContact CG-CE 3.71Å; Q99-M193 CarbonylContact O-C 3.58Å; Q99-M193 VanDerWaalsContact O-CA 3.26Å; Q99-M193 WeakPolarHBondContact O-CA 3.46Å; Q99-M193 WeakPolarHBondContact O-CG 3.11Å; F100-M193 HydrophobicContact CD1-CB 4.49Å; F100-M193 HydrophobicContact CD1-CG 4.02Å; F100-M193 HydrophobicContact CD1-SD 4.26Å; F100-M193 HydrophobicContact CE1-CE 3.83Å; F100-M193 HydrophobicContact CE1-CG 4.09Å; F100-M193 HydrophobicContact CE1-SD 3.74Å; F100-M193 HydrophobicContact CZ-CE 3.84Å; F100-M193 HydrophobicContact CZ-SD 4.37Å; F121-M193 HydrophobicContact CE1-SD 4.15Å; S185-M193 WeakPolarHBondContact CA-O 3.32Å; F186-M193 HydrophobicContact CD1-CB 4.26Å; F186-M193 HydrophobicContact CE1-CB 3.66Å; F186-M193 HydrophobicContact CE1-CG 4.16Å; F186-M193 HydrophobicContact CE1-SD 3.77Å; F186-M193 HydrophobicContact CE2-CB 4.24Å; F186-M193 HydrophobicContact CZ-CB 3.64Å; F186-M193 HydrophobicContact CZ-CG 4.38Å; F186-M193 HydrophobicContact CZ-SD 3.97Å; F186-M193 PolarHBondContact N-O 3.14Å; F186-M193 PolarHBondContact O-N 2.72Å; F186-M193 VanDerWaalsContact O-O 3.09Å; I191-M193 HydrophobicContact CG1-CB 4.38Å; M193-V195 HydrophobicContact CE-CG2 3.51Å; M193-V195 HydrophobicContact SD-CG2 4.42Å
194Q97.2Very high93.7Very high66 Ų6647.5 Ų47.531%0.30823%0.231SC..EExtended strand (participates in β ladder)trans-133.7146.5164.861.8-179.8-5.500112Q99 K184 F196Q99-Q194 HydrophobicContact CB-CG 3.92Å; Q99-Q194 PolarHBondContact N-O 3Å; Q99-Q194 PolarHBondContact O-N 3.02Å; K184-Q194 WeakPolarHBondContact O-CA 3.11Å; Q194-F196 HydrophobicContact CG-CD1 4.01Å; Q194-F196 HydrophobicContact CG-CE1 3.97Å
195V98.2Very high93.6Very high2 Ų246.6 Ų46.61%0.01223%0.229CC..EExtended strand (participates in β ladder)trans-121.9128.8175.2-174.60000108L96 V97 L98 I124 I183 K184 M193L96-V195 HydrophobicContact CD1-CG1 3.83Å; V97-V195 VanDerWaalsContact O-CA 3.26Å; V97-V195 WeakPolarHBondContact O-CA 3.46Å; L98-V195 HydrophobicContact CD1-CG1 4.5Å; L98-V195 HydrophobicContact CG-CG2 4.21Å; I124-V195 HydrophobicContact CD1-CG2 3.91Å; I124-V195 HydrophobicContact CG1-CG2 4.36Å; I124-V195 HydrophobicContact CG2-CB 4.24Å; I124-V195 HydrophobicContact CG2-CG1 4.21Å; I124-V195 HydrophobicContact CG2-CG2 4.05Å; I183-V195 WeakPolarHBondContact CA-O 3.3Å; I183-V195 HydrophobicContact CB-CB 4.37Å; I183-V195 HydrophobicContact CB-CG1 4.2Å; I183-V195 WeakPolarHBondContact CB-O 3.5Å; I183-V195 HydrophobicContact CD1-CG1 4.03Å; I183-V195 HydrophobicContact CG2-CG1 4.37Å; I183-V195 PolarHBondContact N-O 2.7Å; K184-V195 PolarHBondContact N-O 3.39Å; K184-V195 PolarHBondContact O-N 2.8Å; M193-V195 HydrophobicContact CE-CG2 3.51Å; M193-V195 HydrophobicContact SD-CG2 4.42Å
196F96.5Very high93.3Very high24 Ų2444.8 Ų44.811%0.10521%0.21CC..EExtended strand (participates in β ladder)trans-152.1157.418058.1-88.2000110.1V97 Q99 V180 Y181 Q194 I198V97-F196 HydrophobicContact CB-CD1 4.38Å; V97-F196 HydrophobicContact CB-CD2 4.01Å; V97-F196 HydrophobicContact CB-CE1 4.05Å; V97-F196 HydrophobicContact CB-CE2 3.69Å; V97-F196 HydrophobicContact CB-CG 4.37Å; V97-F196 HydrophobicContact CB-CZ 3.7Å; V97-F196 HydrophobicContact CG1-CE1 3.86Å; V97-F196 HydrophobicContact CG1-CE2 3.97Å; V97-F196 HydrophobicContact CG1-CZ 3.49Å; V97-F196 VanDerWaalsContact CG1-CZ 3.49Å; V97-F196 HydrophobicContact CG2-CD2 4.18Å; V97-F196 HydrophobicContact CG2-CE2 3.76Å; V97-F196 HydrophobicContact CG2-CZ 4.18Å; V97-F196 PolarHBondContact N-O 2.92Å; V97-F196 PolarHBondContact O-N 3.36Å; V97-F196 VanDerWaalsContact O-N 3.09Å; Q99-F196 HydrophobicContact CB-CE1 4.12Å; V180-F196 HydrophobicContact CG1-CB 4.27Å; V180-F196 HydrophobicContact CG1-CD2 3.8Å; V180-F196 HydrophobicContact CG1-CE2 4.48Å; V180-F196 HydrophobicContact CG1-CG 4.27Å; Y181-F196 CarbonylContact O-C 3.35Å; Y181-F196 WeakPolarHBondContact O-CA 3.49Å; Y181-F196 WeakPolarHBondContact O-CB 3.44Å; Q194-F196 HydrophobicContact CG-CD1 4.01Å; Q194-F196 HydrophobicContact CG-CE1 3.97Å; F196-I198 HydrophobicContact CD2-CG1 3.95Å; F196-I198 HydrophobicContact CE2-CD1 3.9Å; F196-I198 HydrophobicContact CE2-CG1 3.8Å
197L95.9Very high93.2Very high2 Ų247.1 Ų47.11%0.0122%0.221CC..EExtended strand (participates in β ladder)trans-100.4144.8173.5-170.388.9000109.3Y25 S95 L96 L135 V180 Y181 Q199Y25-L197 HydrophobicContact CE2-CD1 3.73Å; Y25-L197 VanDerWaalsContact OH-CD1 3.22Å; Y25-L197 WeakPolarHBondContact OH-CD1 3.19Å; S95-L197 CarbonylContact O-C 3.57Å; S95-L197 WeakPolarHBondContact O-CA 3.37Å; L96-L197 HydrophobicContact CB-CD1 4.44Å; L135-L197 HydrophobicContact CD1-CD2 3.42Å; L135-L197 VanDerWaalsContact CD1-CD2 3.42Å; L135-L197 HydrophobicContact CD2-CD2 3.3Å; L135-L197 HydrophobicContact CG-CD2 3.98Å; V180-L197 CarbonylContact C-O 3.54Å; V180-L197 WeakPolarHBondContact CA-O 2.98Å; Y181-L197 HydrophobicContact CD2-CD2 4.11Å; Y181-L197 PolarHBondContact N-O 3.13Å; Y181-L197 PolarHBondContact O-N 2.65Å; L197-Q199 HydrophobicContact CD2-CG 3.67Å; L197-Q199 HydrophobicContact CG-CG 4.43Å
198I93.8Very high93.2Very high8 Ų841.2 Ų41.24%0.04119%0.193CC..EExtended strand (participates in β ladder)trans-116.2126.2165.1-51-179.3000107.4E94 S95 V97 T175 S179 V180 F196 Y200E94-I198 CarbonylContact C-O 3.55Å; E94-I198 WeakPolarHBondContact CA-O 3.32Å; E94-I198 WeakPolarHBondContact CB-O 3.35Å; S95-I198 PolarHBondContact N-O 3.29Å; S95-I198 PolarHBondContact O-N 2.94Å; V97-I198 HydrophobicContact CG2-CD1 3.88Å; V97-I198 HydrophobicContact CG2-CG1 3.97Å; T175-I198 WeakPolarHBondContact O-CD1 3.46Å; S179-I198 WeakPolarHBondContact O-CA 3.38Å; V180-I198 HydrophobicContact CG2-CG1 4.49Å; F196-I198 HydrophobicContact CD2-CG1 3.95Å; F196-I198 HydrophobicContact CE2-CD1 3.9Å; F196-I198 HydrophobicContact CE2-CG1 3.8Å; I198-Y200 HydrophobicContact CB-CE1 4.3Å; I198-Y200 HydrophobicContact CG2-CD1 3.97Å; I198-Y200 HydrophobicContact CG2-CE1 3.47Å; I198-Y200 VanDerWaalsContact CG2-CE1 3.47Å
199Q91.2Very high93.4Very high44 Ų4441.4 Ų41.421%0.20619%0.19CC..EExtended strand (participates in β ladder)trans-105.2127.8166.9-63.2-167.5-62.400109.5E94 L135 G178 S179 Y181 L197E94-Q199 HydrophobicContact CB-CG 4.17Å; E94-Q199 PolarHBondContact OE2-NE2 3.17Å; L135-Q199 HydrophobicContact CD2-CG 4.39Å; G178-Q199 CarbonylContact C-O 3.58Å; G178-Q199 WeakPolarHBondContact CA-O 3.44Å; S179-Q199 PolarHBondContact N-O 3.15Å; S179-Q199 PolarHBondContact O-N 2.92Å; Y181-Q199 HydrophobicContact CD2-CG 4.25Å; Y181-Q199 HydrophobicContact CE2-CB 4.12Å; Y181-Q199 HydrophobicContact CE2-CG 3.82Å; Y181-Q199 VanDerWaalsContact CE2-OE1 3.31Å; Y181-Q199 PolarHBondContact OH-OE1 3.49Å; L197-Q199 HydrophobicContact CD2-CG 3.67Å; L197-Q199 HydrophobicContact CG-CG 4.43Å
200Y88.2Confident93.9Very high88 Ų8830.5 Ų30.535%0.34514%0.139SC..  trans-920-175.3-59-63.7000112.9R77 P92 V93 S95 V174 I198R77-Y200 PolarHBondContact NH1-OH 3.15Å; P92-Y200 HydrophobicContact CB-CD2 3.51Å; P92-Y200 HydrophobicContact CB-CE2 3.52Å; P92-Y200 HydrophobicContact CB-CG 4.41Å; V93-Y200 PolarHBondContact O-N 2.71Å; S95-Y200 WeakPolarHBondContact OG-CE2 3.39Å; S95-Y200 PolarHBondContact OG-OH 3.28Å; V174-Y200 HydrophobicContact CG1-CD1 4.37Å; V174-Y200 HydrophobicContact CG1-CE1 4.48Å; V174-Y200 WeakPolarHBondContact O-CD1 3.49Å; V174-Y200 WeakPolarHBondContact O-CE1 3.42Å; I198-Y200 HydrophobicContact CB-CE1 4.3Å; I198-Y200 HydrophobicContact CG2-CD1 3.97Å; I198-Y200 HydrophobicContact CG2-CE1 3.47Å; I198-Y200 VanDerWaalsContact CG2-CE1 3.47Å

Retrieved 200 of 200 residues in 215.3 ms (Link to these results)

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