A0A087Y065_POEFO Loading...

calcium/calmodulin-dependent protein kinase

CaM-kinase II (CAMK2) is a prominent kinase in the central nervous system.

AlphaFold DB , UniProt , Accession A0A087Y065, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 616 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
1M33.8Very low56.2Low242 Ų242108.3 Ų108.3100%1.19265%0.65SS**  0123.90-65.8178.9-178.500107.2
2A33.3Very low59.3Low97 Ų97104.3 Ų104.380%0.80262%0.623SS**  trans-85.4121.5173.100000108.3T4A2-T4 PolarHBondContact O-N 2.6Å; A2-T4 VanDerWaalsContact O-N 3.13Å
3T35.6Very low61.9Low139 Ų139101.1 Ų101.185%0.85360%0.597SS**  trans-7597.3174.443.30000109.1A5T3-A5 PolarHBondContact O-N 2.8Å; T3-A5 VanDerWaalsContact O-N 3.07Å
4T36.3Very low64.4Low134 Ų13494.2 Ų94.282%0.82256%0.556SS**  trans-64.5106.3171.8-22.30000108.6A2 T6A2-T4 PolarHBondContact O-N 2.6Å; A2-T4 VanDerWaalsContact O-N 3.13Å; T4-T6 PolarHBondContact O-N 3.08Å; T4-T6 VanDerWaalsContact O-N 3.13Å
5A37.7Very low66.6Low92 Ų9294.1 Ų94.176%0.7655%0.548SS*.  trans-66111.8169.900000108.2T3 S7T3-A5 PolarHBondContact O-N 2.8Å; T3-A5 VanDerWaalsContact O-N 3.07Å; A5-S7 PolarHBondContact O-N 3.27Å
6T46.9Very low68.5Low132 Ų13291 Ų9181%0.8153%0.528SS*.  trans-62.8102.9166.926.10000107.8T4 T8T4-T6 PolarHBondContact O-N 3.08Å; T4-T6 VanDerWaalsContact O-N 3.13Å; T6-T8 PolarHBondContact O-N 3.04Å
7S49.3Very low70.2Confident44 Ų4491.2 Ų91.231%0.30852%0.519SS..  trans-66.2122.2178-175.90000109.2A5 D12A5-S7 PolarHBondContact O-N 3.27Å; S7-D12 WeakPolarHBondContact OG-CB 3.45Å; S7-D12 PolarHBondContact OG-OD2 3Å; S7-D12 VanDerWaalsContact OG-OD2 3.13Å
8T71.8Confident71.5Confident108 Ų10891.2 Ų91.266%0.66351%0.513SS*.  trans-98-0.3-175.3520000113.3T6T6-T8 PolarHBondContact O-N 3.04Å
9R88.4Confident72.7Confident130 Ų13092.1 Ų92.149%0.49151%0.513SS..  trans-108.8134.5-175.2-57.2-173.7-59.6177.98.2111.4T11 D12 E82R9-T11 PolarHBondContact O-N 3.07Å; R9-D12 HydrophobicContact CB-CB 4.42Å; R9-D12 IonicContact CZ-OD1 3.56Å; R9-D12 IonicContact CZ-OD2 3.62Å; R9-D12 IonicContact NE-OD1 2.94Å; R9-D12 IonicContact NE-OD2 2.8Å; R9-D12 PolarHBondContact NE-OD2 3.49Å; R9-D12 VanDerWaalsContact NH2-CG 3.35Å; R9-D12 IonicContact NH2-OD1 3.76Å; R9-D12 PolarHBondContact NH2-OD1 2.95Å; R9-D12 IonicContact NH2-OD2 3.63Å; R9-D12 PolarHBondContact NH2-OD2 3.27Å; R9-D12 VanDerWaalsContact NH2-OD2 3.15Å; R9-D12 PolarHBondContact O-N 3.4Å; R9-D12 VanDerWaalsContact O-N 3.13Å; R9-E82 WeakPolarHBondContact CA-OE1 3.5Å; R9-E82 WeakPolarHBondContact CB-OE1 3.29Å
10F92.9Very high73.4Confident1 Ų191.7 Ų91.70%0.00451%0.509CS..Hα-helixtrans-53.7-44173.5178.8-81.9000111.1D12 E13 Y14 L16 C31 A42 I80 E82 Y87 V89F10-D12 PolarHBondContact O-N 2.77Å; F10-E13 PolarHBondContact O-N 3.17Å; F10-Y14 HydrophobicContact CD2-CD2 4.23Å; F10-Y14 HydrophobicContact CD2-CG 4.45Å; F10-Y14 HydrophobicContact CE2-CD2 4.15Å; F10-Y14 AromaticContact CE2-CG 3.96Å; F10-Y14 HydrophobicContact CE2-CG 3.96Å; F10-Y14 VanDerWaalsContact CZ-CB 3.41Å; F10-Y14 HydrophobicContact CZ-CG 4Å; F10-Y14 WeakPolarHBondContact O-CA 3.41Å; F10-Y14 WeakPolarHBondContact O-CB 3.45Å; F10-Y14 PolarHBondContact O-N 3.35Å; F10-L16 HydrophobicContact CD1-CD2 4.49Å; F10-L16 HydrophobicContact CE1-CD1 4.43Å; F10-L16 HydrophobicContact CE1-CD2 3.39Å; F10-L16 HydrophobicContact CE1-CG 3.68Å; F10-L16 HydrophobicContact CZ-CD2 3.56Å; F10-L16 HydrophobicContact CZ-CG 4.35Å; F10-C31 HydrophobicContact CZ-CB 3.92Å; F10-A42 HydrophobicContact CE2-CB 3.89Å; F10-A42 HydrophobicContact CZ-CB 3.83Å; F10-I80 HydrophobicContact CB-CD1 4.32Å; F10-I80 HydrophobicContact CB-CG2 4.43Å; F10-I80 HydrophobicContact CD2-CD1 4.21Å; F10-E82 PolarHBondContact N-OE1 2.57Å; F10-Y87 HydrophobicContact CB-CD1 3.93Å; F10-Y87 HydrophobicContact CB-CD2 3.86Å; F10-Y87 HydrophobicContact CB-CE1 4.02Å; F10-Y87 HydrophobicContact CB-CE2 3.98Å; F10-Y87 HydrophobicContact CB-CG 3.86Å; F10-Y87 AromaticContact CD1-CD1 3.9Å; F10-Y87 HydrophobicContact CD1-CD1 3.9Å; F10-Y87 AromaticContact CD1-CE1 3.85Å; F10-Y87 HydrophobicContact CD1-CE1 3.85Å; F10-Y87 AromaticContact CD2-CD1 3.39Å; F10-Y87 HydrophobicContact CD2-CD1 3.39Å; F10-Y87 HydrophobicContact CD2-CD2 4.35Å; F10-Y87 HydrophobicContact CD2-CE1 4.16Å; F10-Y87 AromaticContact CD2-CG 3.51Å; F10-Y87 HydrophobicContact CD2-CG 3.51Å; F10-Y87 HydrophobicContact CE1-CD1 4.34Å; F10-Y87 HydrophobicContact CE1-CE1 4.45Å; F10-Y87 AromaticContact CE2-CD1 3.84Å; F10-Y87 HydrophobicContact CE2-CD1 3.84Å; F10-Y87 HydrophobicContact CE2-CG 4.26Å; F10-Y87 AromaticContact CG-CD1 3.42Å; F10-Y87 HydrophobicContact CG-CD1 3.42Å; F10-Y87 VanDerWaalsContact CG-CD1 3.42Å; F10-Y87 HydrophobicContact CG-CD2 4.25Å; F10-Y87 AromaticContact CG-CE1 3.71Å; F10-Y87 HydrophobicContact CG-CE1 3.71Å; F10-Y87 AromaticContact CG-CG 3.73Å; F10-Y87 HydrophobicContact CG-CG 3.73Å; F10-Y87 HydrophobicContact CZ-CD1 4.29Å; F10-V89 HydrophobicContact CD2-CG2 4.37Å; F10-V89 HydrophobicContact CE2-CG2 3.84Å
11T92.6Very high73.7Confident72 Ų7288.7 Ų88.744%0.44250%0.499SS..Hα-helixtrans-69.3-13.7-176.4550000114.4R9 K34R9-T11 PolarHBondContact O-N 3.07Å; T11-K34 WeakPolarHBondContact O-CE 3.4Å; T11-K34 PolarHBondContact O-NZ 3.22Å
12D92.4Very high75.9Confident61 Ų6185.1 Ų85.133%0.32648%0.477SS..Hα-helixtrans-84.1-44.4175.1-70.4-26.1000110.5S7 R9 F10 K34S7-D12 WeakPolarHBondContact OG-CB 3.45Å; S7-D12 PolarHBondContact OG-OD2 3Å; S7-D12 VanDerWaalsContact OG-OD2 3.13Å; R9-D12 HydrophobicContact CB-CB 4.42Å; R9-D12 IonicContact CZ-OD1 3.56Å; R9-D12 IonicContact CZ-OD2 3.62Å; R9-D12 IonicContact NE-OD1 2.94Å; R9-D12 IonicContact NE-OD2 2.8Å; R9-D12 PolarHBondContact NE-OD2 3.49Å; R9-D12 VanDerWaalsContact NH2-CG 3.35Å; R9-D12 IonicContact NH2-OD1 3.76Å; R9-D12 PolarHBondContact NH2-OD1 2.95Å; R9-D12 IonicContact NH2-OD2 3.63Å; R9-D12 PolarHBondContact NH2-OD2 3.27Å; R9-D12 VanDerWaalsContact NH2-OD2 3.15Å; R9-D12 PolarHBondContact O-N 3.4Å; R9-D12 VanDerWaalsContact O-N 3.13Å; F10-D12 PolarHBondContact O-N 2.77Å; D12-K34 WeakPolarHBondContact O-CD 3.33Å; D12-K34 WeakPolarHBondContact O-CE 3.44Å; D12-K34 PolarHBondContact O-NZ 2.91Å
13E93.9Very high77.6Confident62 Ų6282.1 Ų82.129%0.2946%0.455SS..Hα-helixtrans-84.6-30.6180-72.5-157.6-146.900115.2F10 K33 K34F10-E13 PolarHBondContact O-N 3.17Å; E13-K33 WeakPolarHBondContact OE2-CE 3.34Å; E13-K33 IonicContact OE2-NZ 3.31Å; E13-K33 PolarHBondContact OE2-NZ 2.69Å; E13-K34 WeakPolarHBondContact O-CG 3.36Å; E13-K34 PolarHBondContact O-N 3.16Å
14Y97.1Very high79.2Confident5 Ų577.9 Ų77.92%0.0244%0.435CS..EExtended strand (participates in β ladder)trans-126.1151.1-171.3-67.6-94000112.3F10 V32 K33 Y40 I80 V89F10-Y14 HydrophobicContact CD2-CD2 4.23Å; F10-Y14 HydrophobicContact CD2-CG 4.45Å; F10-Y14 HydrophobicContact CE2-CD2 4.15Å; F10-Y14 AromaticContact CE2-CG 3.96Å; F10-Y14 HydrophobicContact CE2-CG 3.96Å; F10-Y14 VanDerWaalsContact CZ-CB 3.41Å; F10-Y14 HydrophobicContact CZ-CG 4Å; F10-Y14 WeakPolarHBondContact O-CA 3.41Å; F10-Y14 WeakPolarHBondContact O-CB 3.45Å; F10-Y14 PolarHBondContact O-N 3.35Å; Y14-V32 CarbonylContact C-O 3.45Å; Y14-V32 WeakPolarHBondContact CA-O 3.31Å; Y14-K33 HydrophobicContact CD1-CB 3.88Å; Y14-K33 HydrophobicContact CD1-CG 4.21Å; Y14-K33 HydrophobicContact CE1-CB 3.56Å; Y14-K33 HydrophobicContact CE1-CD 4.18Å; Y14-K33 HydrophobicContact CE1-CG 3.78Å; Y14-K33 HydrophobicContact CE2-CG 4.35Å; Y14-K33 PolarHBondContact OH-NZ 3.07Å; Y14-Y40 HydrophobicContact CD1-CD2 4.49Å; Y14-Y40 AromaticContact CE1-CD2 3.8Å; Y14-Y40 HydrophobicContact CE1-CD2 3.8Å; Y14-Y40 HydrophobicContact CE1-CE2 4.13Å; Y14-Y40 HydrophobicContact CE1-CG 4.45Å; Y14-I80 HydrophobicContact CD2-CD1 4.35Å; Y14-I80 HydrophobicContact CE2-CD1 4.23Å; Y14-V89 HydrophobicContact CE1-CG1 3.81Å
15Q97.4Very high81.1Confident93 Ų9374.7 Ų74.744%0.43541%0.409SS..EExtended strand (participates in β ladder)trans-112.4127.7172.3-179.359.54700109.6Y17 C31 V32Q15-Y17 HydrophobicContact CB-CE2 3.91Å; Q15-Y17 HydrophobicContact CG-CD2 4.37Å; Q15-Y17 HydrophobicContact CG-CE2 3.58Å; Q15-Y17 WeakPolarHBondContact O-CD2 3.44Å; Q15-Y17 WeakPolarHBondContact O-CE2 3.34Å; Q15-C31 CarbonylContact O-C 3.55Å; Q15-C31 WeakPolarHBondContact O-CA 3.48Å; Q15-C31 VanDerWaalsContact O-CB 3.27Å; Q15-C31 WeakPolarHBondContact O-CB 3.27Å; Q15-V32 PolarHBondContact N-O 2.81Å; Q15-V32 PolarHBondContact O-N 3.04Å
16L96.9Very high83.4Confident44 Ų4471.4 Ų71.423%0.2338%0.381CS..EExtended strand (participates in β ladder)trans-83.3146.3175.6-66.9179.8000112.2F10 R29 C31 A42 I44F10-L16 HydrophobicContact CD1-CD2 4.49Å; F10-L16 HydrophobicContact CE1-CD1 4.43Å; F10-L16 HydrophobicContact CE1-CD2 3.39Å; F10-L16 HydrophobicContact CE1-CG 3.68Å; F10-L16 HydrophobicContact CZ-CD2 3.56Å; F10-L16 HydrophobicContact CZ-CG 4.35Å; L16-R29 HydrophobicContact CD2-CB 4.39Å; L16-C31 HydrophobicContact CD2-CB 4.04Å; L16-A42 HydrophobicContact CD2-CB 4.29Å; L16-I44 HydrophobicContact CD1-CD1 3.71Å; L16-I44 HydrophobicContact CD2-CD1 3.91Å; L16-I44 HydrophobicContact CG-CD1 4.5Å
17Y96.3Very high85.5Confident95 Ų9566.7 Ų66.737%0.37335%0.352SS..EExtended strand (participates in β ladder)trans-131-146.6175.3-65-94.2000110.8Q15 R29 R30 V32Q15-Y17 HydrophobicContact CB-CE2 3.91Å; Q15-Y17 HydrophobicContact CG-CD2 4.37Å; Q15-Y17 HydrophobicContact CG-CE2 3.58Å; Q15-Y17 WeakPolarHBondContact O-CD2 3.44Å; Q15-Y17 WeakPolarHBondContact O-CE2 3.34Å; Y17-R29 PolarHBondContact O-NE 2.8Å; Y17-R29 PolarHBondContact O-NH2 3.28Å; Y17-R30 VanDerWaalsContact CD1-NH2 3.34Å; Y17-R30 VanDerWaalsContact CG-NH2 3.29Å; Y17-R30 PolarHBondContact N-O 3.36Å; Y17-V32 HydrophobicContact CD2-CG2 3.97Å; Y17-V32 HydrophobicContact CE2-CB 3.84Å; Y17-V32 HydrophobicContact CE2-CG2 3.42Å; Y17-V32 VanDerWaalsContact CE2-CG2 3.42Å
18E94.2Very high87.6Confident90 Ų9066.7 Ų66.742%0.42135%0.35SS..EExtended strand (participates in β ladder)trans-63.5160.3-172.972.3-72.1165.500114.8L20 R29 R30E18-L20 HydrophobicContact CG-CD2 4.44Å; E18-R29 CarbonylContact O-C 3.6Å; E18-R29 WeakPolarHBondContact O-CA 3.33Å; E18-R29 WeakPolarHBondContact O-CB 3.44Å; E18-R30 PolarHBondContact O-N 3.42Å; E18-R30 WeakPolarHBondContact OE1-CB 3.47Å; E18-R30 WeakPolarHBondContact OE1-CD 3.04Å; E18-R30 IonicContact OE1-CZ 2.75Å; E18-R30 IonicContact OE1-NE 3.54Å; E18-R30 PolarHBondContact OE1-NE 2.86Å; E18-R30 IonicContact OE1-NH2 3.16Å; E18-R30 IonicContact OE2-CZ 3.54Å; E18-R30 IonicContact OE2-NE 3.43Å; E18-R30 PolarHBondContact OE2-NE 3.15Å; E18-R30 IonicContact OE2-NH2 3.65Å; E18-R30 PolarHBondContact OE2-NH2 3.29Å
19E94.1Very high88.7Confident108 Ų10865.8 Ų65.851%0.50533%0.334SS..EExtended strand (participates in β ladder)trans-77.2132.6172.6-176.3171.2132.900110.6V27E19-V27 HydrophobicContact CB-CG2 4.5Å; E19-V27 VanDerWaalsContact CD-CG2 3.45Å; E19-V27 HydrophobicContact CG-CG2 3.6Å; E19-V27 WeakPolarHBondContact OE2-CG2 3.29Å
20L86.8Confident89.1Confident84 Ų8461.7 Ų61.744%0.4432%0.319SS..EExtended strand (participates in β ladder)trans-103.4-23.8177.3-57177.6000111.8E18 V28 R30 A41 L92E18-L20 HydrophobicContact CG-CD2 4.44Å; L20-V28 HydrophobicContact CB-CG1 4.29Å; L20-V28 HydrophobicContact CD1-CG1 4.45Å; L20-V28 PolarHBondContact N-O 2.79Å; L20-R30 HydrophobicContact CD1-CB 4.11Å; L20-R30 HydrophobicContact CD2-CB 4.35Å; L20-R30 HydrophobicContact CG-CB 4.35Å; L20-A41 HydrophobicContact CD1-CB 4.12Å; L20-L92 HydrophobicContact CD1-CD1 3.55Å
21G80.8Confident89.4Confident29 Ų2961.6 Ų61.630%0.29932%0.319SS..EExtended strand (participates in β ladder)trans177.4166.8176.800000113.1V28G21-V28 PolarHBondContact N-O 3.49Å; G21-V28 PolarHBondContact O-N 2.83Å
22K78.8Confident89.6Confident168 Ų16859.1 Ų59.173%0.7330%0.303SS*.EExtended strand (participates in β ladder)trans-136.6136.8-174-168.5175179-177.20111.2
23G70Confident89.8Confident33 Ų3358 Ų5834%0.3430%0.295SS..  trans-120.8179.6171.700000111.2F25 S26G23-F25 VanDerWaalsContact C-N 3.3Å; G23-F25 PolarHBondContact O-N 2.85Å; G23-S26 PolarHBondContact N-O 2.91Å
24A68.8Low89.9Confident51 Ų5160.3 Ų60.342%0.42131%0.305SS..SBendtrans-59.3-35.2-172.600000114.5V310A24-V310 HydrophobicContact CB-CG2 4.28Å
25F77Confident89.8Confident66 Ų6664.9 Ų64.929%0.28934%0.337SS..SBendtrans-128.67.6-177.9-52.3-64.3000113.7G23 N46 K49 L50 N313G23-F25 VanDerWaalsContact C-N 3.3Å; G23-F25 PolarHBondContact O-N 2.85Å; F25-N46 PolarHBondContact O-N 3.34Å; F25-N46 VanDerWaalsContact O-N 3.08Å; F25-K49 HydrophobicContact CD1-CB 4.28Å; F25-L50 HydrophobicContact CB-CD2 3.73Å; F25-L50 HydrophobicContact CD2-CD2 3.93Å; F25-L50 HydrophobicContact CG-CD2 3.83Å; F25-N313 WeakPolarHBondContact CE2-ND2 3.4Å; F25-N313 HydrophobicContact CZ-CB 4.21Å; F25-N313 WeakPolarHBondContact CZ-ND2 3.35Å
26S85.2Confident89.7Confident24 Ų2464 Ų6417%0.16834%0.342CS..EExtended strand (participates in β ladder)trans-144.9150.1-174.1650000112.8G23 I44G23-S26 PolarHBondContact N-O 2.91Å; S26-I44 CarbonylContact C-O 3.56Å; S26-I44 WeakPolarHBondContact CA-O 3.38Å; S26-I44 WeakPolarHBondContact CB-O 3.41Å
27V90.3Very high89.6Confident33 Ų3364.3 Ų64.320%0.236%0.355CS..EExtended strand (participates in β ladder)trans-119.4138.3169.762.90000109.2E19 R29 I44E19-V27 HydrophobicContact CB-CG2 4.5Å; E19-V27 VanDerWaalsContact CD-CG2 3.45Å; E19-V27 HydrophobicContact CG-CG2 3.6Å; E19-V27 WeakPolarHBondContact OE2-CG2 3.29Å; V27-R29 HydrophobicContact CG1-CG 4.43Å; V27-R29 HydrophobicContact CG2-CG 4.04Å; V27-I44 HydrophobicContact CG1-CB 3.97Å; V27-I44 HydrophobicContact CG1-CD1 4.24Å; V27-I44 HydrophobicContact CG1-CG1 4.46Å; V27-I44 PolarHBondContact N-O 3.09Å; V27-I44 PolarHBondContact O-N 2.93Å
28V93.1Very high89.7Confident43 Ų4364.7 Ų64.726%0.26136%0.36SS..EExtended strand (participates in β ladder)trans-100.8122.6173.7-173.50000107.7L20 G21 A41 A42 K43L20-V28 HydrophobicContact CB-CG1 4.29Å; L20-V28 HydrophobicContact CD1-CG1 4.45Å; L20-V28 PolarHBondContact N-O 2.79Å; G21-V28 PolarHBondContact N-O 3.49Å; G21-V28 PolarHBondContact O-N 2.83Å; V28-A41 HydrophobicContact CG1-CB 4.11Å; V28-A42 WeakPolarHBondContact CA-O 3.35Å; V28-K43 HydrophobicContact CG2-CB 4.21Å; V28-K43 HydrophobicContact CG2-CG 4.23Å
29R96.3Very high89.8Confident90 Ų9064.1 Ų64.134%0.3436%0.357SS..EExtended strand (participates in β ladder)trans-125149.2178.5-61.3-176.568.61601.3110.5L16 Y17 E18 V27 A42 I44L16-R29 HydrophobicContact CD2-CB 4.39Å; Y17-R29 PolarHBondContact O-NE 2.8Å; Y17-R29 PolarHBondContact O-NH2 3.28Å; E18-R29 CarbonylContact O-C 3.6Å; E18-R29 WeakPolarHBondContact O-CA 3.33Å; E18-R29 WeakPolarHBondContact O-CB 3.44Å; V27-R29 HydrophobicContact CG1-CG 4.43Å; V27-R29 HydrophobicContact CG2-CG 4.04Å; R29-A42 PolarHBondContact N-O 3.32Å; R29-A42 PolarHBondContact O-N 2.99Å; R29-I44 HydrophobicContact CG-CD1 4.24Å
30R97Very high90Very high43 Ų4360.5 Ų60.516%0.16234%0.339CS..EExtended strand (participates in β ladder)trans-65.8140.5167.1-174.2173.159.283.19108.8Y17 E18 L20 E39 L92Y17-R30 VanDerWaalsContact CD1-NH2 3.34Å; Y17-R30 VanDerWaalsContact CG-NH2 3.29Å; Y17-R30 PolarHBondContact N-O 3.36Å; E18-R30 PolarHBondContact O-N 3.42Å; E18-R30 WeakPolarHBondContact OE1-CB 3.47Å; E18-R30 WeakPolarHBondContact OE1-CD 3.04Å; E18-R30 IonicContact OE1-CZ 2.75Å; E18-R30 IonicContact OE1-NE 3.54Å; E18-R30 PolarHBondContact OE1-NE 2.86Å; E18-R30 IonicContact OE1-NH2 3.16Å; E18-R30 IonicContact OE2-CZ 3.54Å; E18-R30 IonicContact OE2-NE 3.43Å; E18-R30 PolarHBondContact OE2-NE 3.15Å; E18-R30 IonicContact OE2-NH2 3.65Å; E18-R30 PolarHBondContact OE2-NH2 3.29Å; L20-R30 HydrophobicContact CD1-CB 4.11Å; L20-R30 HydrophobicContact CD2-CB 4.35Å; L20-R30 HydrophobicContact CG-CB 4.35Å; R30-E39 WeakPolarHBondContact CD-OE1 3.35Å; R30-E39 IonicContact CZ-OE1 3.2Å; R30-E39 IonicContact NE-OE1 2.82Å; R30-E39 IonicContact NH1-OE1 2.71Å; R30-E39 PolarHBondContact NH1-OE1 3.21Å; R30-L92 HydrophobicContact CG-CD1 4.37Å; R30-L92 HydrophobicContact CG-CD2 3.96Å
31C97.7Very high90.5Very high0 Ų057 Ų570%032%0.322CS..EExtended strand (participates in β ladder)trans-139.6156.7171.468.70000112.1F10 Q15 L16 E39 Y40 A42F10-C31 HydrophobicContact CZ-CB 3.92Å; Q15-C31 CarbonylContact O-C 3.55Å; Q15-C31 WeakPolarHBondContact O-CA 3.48Å; Q15-C31 VanDerWaalsContact O-CB 3.27Å; Q15-C31 WeakPolarHBondContact O-CB 3.27Å; L16-C31 HydrophobicContact CD2-CB 4.04Å; C31-E39 CarbonylContact O-C 3.59Å; C31-E39 WeakPolarHBondContact O-CA 3.43Å; C31-Y40 PolarHBondContact N-O 3.45Å; C31-Y40 PolarHBondContact O-N 3.19Å; C31-A42 HydrophobicContact CB-CB 4.27Å
32V97.8Very high91.2Very high19 Ų1955.6 Ų55.612%0.11531%0.308CS..EExtended strand (participates in β ladder)trans-121.5131.5178.2-179.30000109.4Y14 Q15 Y17 K34 G37 Q38 E39Y14-V32 CarbonylContact C-O 3.45Å; Y14-V32 WeakPolarHBondContact CA-O 3.31Å; Q15-V32 PolarHBondContact N-O 2.81Å; Q15-V32 PolarHBondContact O-N 3.04Å; Y17-V32 HydrophobicContact CD2-CG2 3.97Å; Y17-V32 HydrophobicContact CE2-CB 3.84Å; Y17-V32 HydrophobicContact CE2-CG2 3.42Å; Y17-V32 VanDerWaalsContact CE2-CG2 3.42Å; V32-K34 PolarHBondContact O-N 3.04Å; V32-G37 WeakPolarHBondContact CG1-O 3.37Å; V32-Q38 WeakPolarHBondContact CA-O 3.35Å; V32-E39 HydrophobicContact CG2-CG 4.17Å
33K97.1Very high92Very high38 Ų3849.1 Ų49.117%0.16528%0.28CS..EExtended strand (participates in β ladder)trans-77.9116.8175.5-164.8177.8-172.5106.90109.6E13 Y14 S35 S36 G37 Q38 Y40E13-K33 WeakPolarHBondContact OE2-CE 3.34Å; E13-K33 IonicContact OE2-NZ 3.31Å; E13-K33 PolarHBondContact OE2-NZ 2.69Å; Y14-K33 HydrophobicContact CD1-CB 3.88Å; Y14-K33 HydrophobicContact CD1-CG 4.21Å; Y14-K33 HydrophobicContact CE1-CB 3.56Å; Y14-K33 HydrophobicContact CE1-CD 4.18Å; Y14-K33 HydrophobicContact CE1-CG 3.78Å; Y14-K33 HydrophobicContact CE2-CG 4.35Å; Y14-K33 PolarHBondContact OH-NZ 3.07Å; K33-S35 VanDerWaalsContact C-N 3.25Å; K33-S35 PolarHBondContact O-N 3.17Å; K33-S36 PolarHBondContact O-N 3.37Å; K33-S36 VanDerWaalsContact O-N 3.17Å; K33-G37 PolarHBondContact O-N 2.88Å; K33-Q38 PolarHBondContact N-O 3.32Å; K33-Y40 HydrophobicContact CB-CD2 4.29Å; K33-Y40 HydrophobicContact CB-CE2 3.79Å
34K95.7Very high93.1Very high111 Ų11148.3 Ų48.348%0.48327%0.268SS..THydrogen-bonded Turntrans-61.1-31.5-170-61.8-175.5-161.2162.30113.7T11 D12 E13 V32 S36T11-K34 WeakPolarHBondContact O-CE 3.4Å; T11-K34 PolarHBondContact O-NZ 3.22Å; D12-K34 WeakPolarHBondContact O-CD 3.33Å; D12-K34 WeakPolarHBondContact O-CE 3.44Å; D12-K34 PolarHBondContact O-NZ 2.91Å; E13-K34 WeakPolarHBondContact O-CG 3.36Å; E13-K34 PolarHBondContact O-N 3.16Å; V32-K34 PolarHBondContact O-N 3.04Å; K34-S36 VanDerWaalsContact C-N 3.3Å; K34-S36 PolarHBondContact O-N 2.93Å
35S94.9Very high94.2Very high101 Ų10146.3 Ų46.371%0.70625%0.25SC*.THydrogen-bonded Turntrans-73-17.4-178.164.50000114.5K33K33-S35 VanDerWaalsContact C-N 3.25Å; K33-S35 PolarHBondContact O-N 3.17Å
36S95.6Very high94.8Very high75 Ų7545 Ų4552%0.52425%0.246SC..THydrogen-bonded Turntrans-134.2-15.4-173.359.30000114.8K33 K34 Q38K33-S36 PolarHBondContact O-N 3.37Å; K33-S36 VanDerWaalsContact O-N 3.17Å; K34-S36 VanDerWaalsContact C-N 3.3Å; K34-S36 PolarHBondContact O-N 2.93Å; S36-Q38 PolarHBondContact O-N 3.39Å; S36-Q38 WeakPolarHBondContact OG-CB 3.36Å; S36-Q38 PolarHBondContact OG-N 3.28Å
37G94.8Very high95Very high49 Ų4944.8 Ų44.851%0.50524%0.243SC..  trans72.33.3-171.600000114.2V32 K33V32-G37 WeakPolarHBondContact CG1-O 3.37Å; K33-G37 PolarHBondContact O-N 2.88Å
38Q96.8Very high94.8Very high104 Ų10450 Ų5049%0.48626%0.263SS..  trans-72.5135.3-179-17957.55600111.4V32 K33 S36 Y40V32-Q38 WeakPolarHBondContact CA-O 3.35Å; K33-Q38 PolarHBondContact N-O 3.32Å; S36-Q38 PolarHBondContact O-N 3.39Å; S36-Q38 WeakPolarHBondContact OG-CB 3.36Å; S36-Q38 PolarHBondContact OG-N 3.28Å; Q38-Y40 HydrophobicContact CB-CE2 3.76Å; Q38-Y40 HydrophobicContact CG-CD2 4.36Å; Q38-Y40 HydrophobicContact CG-CE1 4.26Å; Q38-Y40 HydrophobicContact CG-CE2 3.55Å; Q38-Y40 VanDerWaalsContact CG-CZ 3.49Å; Q38-Y40 WeakPolarHBondContact CG-OH 3.45Å; Q38-Y40 VanDerWaalsContact O-CD2 3.27Å; Q38-Y40 WeakPolarHBondContact O-CD2 3.31Å; Q38-Y40 WeakPolarHBondContact O-CE2 3.47Å
39E97.5Very high94.1Very high77 Ų7754.9 Ų54.936%0.3628%0.281SS..EExtended strand (participates in β ladder)trans-88.6147.3178.7-46.1-157.298.900112.9R30 C31 V32 L92R30-E39 WeakPolarHBondContact CD-OE1 3.35Å; R30-E39 IonicContact CZ-OE1 3.2Å; R30-E39 IonicContact NE-OE1 2.82Å; R30-E39 IonicContact NH1-OE1 2.71Å; R30-E39 PolarHBondContact NH1-OE1 3.21Å; C31-E39 CarbonylContact O-C 3.59Å; C31-E39 WeakPolarHBondContact O-CA 3.43Å; V32-E39 HydrophobicContact CG2-CG 4.17Å; E39-L92 HydrophobicContact CB-CD2 3.74Å
40Y97.6Very high93.2Very high32 Ų3251.8 Ų51.813%0.12527%0.271CS..EExtended strand (participates in β ladder)trans-148.2169.7-177-61.5-84.6000110.9Y14 C31 K33 Q38 H77 V89 F90Y14-Y40 HydrophobicContact CD1-CD2 4.49Å; Y14-Y40 AromaticContact CE1-CD2 3.8Å; Y14-Y40 HydrophobicContact CE1-CD2 3.8Å; Y14-Y40 HydrophobicContact CE1-CE2 4.13Å; Y14-Y40 HydrophobicContact CE1-CG 4.45Å; C31-Y40 PolarHBondContact N-O 3.45Å; C31-Y40 PolarHBondContact O-N 3.19Å; K33-Y40 HydrophobicContact CB-CD2 4.29Å; K33-Y40 HydrophobicContact CB-CE2 3.79Å; Q38-Y40 HydrophobicContact CB-CE2 3.76Å; Q38-Y40 HydrophobicContact CG-CD2 4.36Å; Q38-Y40 HydrophobicContact CG-CE1 4.26Å; Q38-Y40 HydrophobicContact CG-CE2 3.55Å; Q38-Y40 VanDerWaalsContact CG-CZ 3.49Å; Q38-Y40 WeakPolarHBondContact CG-OH 3.45Å; Q38-Y40 VanDerWaalsContact O-CD2 3.27Å; Q38-Y40 WeakPolarHBondContact O-CD2 3.31Å; Q38-Y40 WeakPolarHBondContact O-CE2 3.47Å; Y40-H77 HydrophobicContact CD1-CB 4.46Å; Y40-H77 AromaticContact CD1-CD2 3.73Å; Y40-H77 HydrophobicContact CE1-CB 4.11Å; Y40-H77 AromaticContact CE1-CD2 3.61Å; Y40-H77 AromaticContact CE1-CE1 3.97Å; Y40-H77 AromaticContact CE1-CG 3.57Å; Y40-H77 AromaticContact CE1-ND1 3.84Å; Y40-H77 AromaticContact CE1-NE2 3.86Å; Y40-V89 HydrophobicContact CD1-CG1 4.03Å; Y40-V89 HydrophobicContact CD2-CG1 4.42Å; Y40-V89 HydrophobicContact CG-CG1 3.77Å; Y40-F90 WeakPolarHBondContact CA-O 3.46Å; Y40-F90 WeakPolarHBondContact CB-O 3.32Å
41A97Very high92.5Very high11 Ų1152.4 Ų52.49%0.09128%0.282CS..EExtended strand (participates in β ladder)trans-109.2118.1168.200000110.3L20 V28 F90 L92L20-A41 HydrophobicContact CD1-CB 4.12Å; V28-A41 HydrophobicContact CG1-CB 4.11Å; A41-F90 PolarHBondContact N-O 3.32Å; A41-F90 PolarHBondContact O-N 3.11Å; A41-L92 HydrophobicContact CB-CD1 4.16Å
42A96.6Very high91.7Very high0 Ų056.2 Ų56.20%031%0.314CS..EExtended strand (participates in β ladder)trans-94.1112.8175.200000110.5F10 L16 V28 R29 C31 I44 L88F10-A42 HydrophobicContact CE2-CB 3.89Å; F10-A42 HydrophobicContact CZ-CB 3.83Å; L16-A42 HydrophobicContact CD2-CB 4.29Å; V28-A42 WeakPolarHBondContact CA-O 3.35Å; R29-A42 PolarHBondContact N-O 3.32Å; R29-A42 PolarHBondContact O-N 2.99Å; C31-A42 HydrophobicContact CB-CB 4.27Å; A42-I44 HydrophobicContact CB-CG1 4.32Å; A42-I44 PolarHBondContact O-N 3.42Å; A42-L88 WeakPolarHBondContact CA-O 3.4Å
43K94.4Very high90.9Very high31 Ų3164 Ų6414%0.13534%0.341CS..EExtended strand (participates in β ladder)trans-81.7102.7165.6-177.6177.2176-178.40107.4V28 I45 E61 L88 F90 D157V28-K43 HydrophobicContact CG2-CB 4.21Å; V28-K43 HydrophobicContact CG2-CG 4.23Å; K43-I45 HydrophobicContact CG-CD1 4.07Å; K43-I45 HydrophobicContact CG-CG1 4.23Å; K43-E61 VanDerWaalsContact NZ-CD 3.3Å; K43-E61 IonicContact NZ-OE1 2.78Å; K43-E61 PolarHBondContact NZ-OE1 2.87Å; K43-E61 IonicContact NZ-OE2 2.98Å; K43-E61 PolarHBondContact NZ-OE2 3.19Å; K43-E61 VanDerWaalsContact NZ-OE2 3.16Å; K43-L88 HydrophobicContact CB-CB 4.33Å; K43-L88 PolarHBondContact N-O 2.73Å; K43-L88 PolarHBondContact O-N 2.86Å; K43-F90 HydrophobicContact CB-CD2 4.32Å; K43-F90 HydrophobicContact CB-CE2 4.11Å; K43-F90 HydrophobicContact CD-CE2 4.26Å; K43-D157 IonicContact NZ-OD1 2.74Å
44I94.6Very high90.2Very high16 Ų1663.9 Ų63.98%0.08234%0.342CS..EExtended strand (participates in β ladder)trans-93.7114.4-178.8-47.9174.9000107.9L16 S26 V27 R29 A42 F85 Y87L16-I44 HydrophobicContact CD1-CD1 3.71Å; L16-I44 HydrophobicContact CD2-CD1 3.91Å; L16-I44 HydrophobicContact CG-CD1 4.5Å; S26-I44 CarbonylContact C-O 3.56Å; S26-I44 WeakPolarHBondContact CA-O 3.38Å; S26-I44 WeakPolarHBondContact CB-O 3.41Å; V27-I44 HydrophobicContact CG1-CB 3.97Å; V27-I44 HydrophobicContact CG1-CD1 4.24Å; V27-I44 HydrophobicContact CG1-CG1 4.46Å; V27-I44 PolarHBondContact N-O 3.09Å; V27-I44 PolarHBondContact O-N 2.93Å; R29-I44 HydrophobicContact CG-CD1 4.24Å; A42-I44 HydrophobicContact CB-CG1 4.32Å; A42-I44 PolarHBondContact O-N 3.42Å; I44-F85 HydrophobicContact CG2-CD1 4Å; I44-Y87 HydrophobicContact CB-CD1 4.39Å; I44-Y87 HydrophobicContact CB-CE1 4.45Å; I44-Y87 HydrophobicContact CD1-CD1 4.49Å; I44-Y87 HydrophobicContact CD1-CE1 4.25Å; I44-Y87 HydrophobicContact CG1-CD1 3.88Å; I44-Y87 HydrophobicContact CG1-CE1 4.05Å; I44-Y87 HydrophobicContact CG2-CD1 4.07Å; I44-Y87 HydrophobicContact CG2-CE1 3.74Å
45I91.7Very high89.7Confident9 Ų961.7 Ų61.75%0.04633%0.334CS..EExtended strand (participates in β ladder)trans-109129.5-177.5-58.5118.4000109.3K43 T47 L50 L58 F85 H86 L88K43-I45 HydrophobicContact CG-CD1 4.07Å; K43-I45 HydrophobicContact CG-CG1 4.23Å; I45-T47 PolarHBondContact O-N 3.02Å; I45-L50 HydrophobicContact CG2-CD1 3.83Å; I45-L50 HydrophobicContact CG2-CD2 4.37Å; I45-L50 HydrophobicContact CG2-CG 4.35Å; I45-L58 HydrophobicContact CD1-CD1 3.7Å; I45-L58 HydrophobicContact CG2-CD2 4.27Å; I45-F85 CarbonylContact O-C 3.49Å; I45-F85 VanDerWaalsContact O-CA 3.27Å; I45-F85 WeakPolarHBondContact O-CA 2.93Å; I45-H86 HydrophobicContact CB-CB 4.49Å; I45-H86 PolarHBondContact N-O 2.8Å; I45-H86 PolarHBondContact O-N 2.8Å; I45-L88 HydrophobicContact CD1-CD1 4.05Å; I45-L88 HydrophobicContact CD1-CG 4.07Å
46N89.9Confident89.3Confident39 Ų3962.7 Ų62.721%0.20933%0.327CS..EExtended strand (participates in β ladder)trans-83.9100.3175.9-176.5-39.1000109.7F25 K48 K49 G84 F85F25-N46 PolarHBondContact O-N 3.34Å; F25-N46 VanDerWaalsContact O-N 3.08Å; N46-K48 VanDerWaalsContact C-N 3.3Å; N46-K48 PolarHBondContact O-N 2.94Å; N46-K48 WeakPolarHBondContact OD1-CB 3.29Å; N46-K48 PolarHBondContact OD1-N 3.4Å; N46-K48 VanDerWaalsContact OD1-N 3.14Å; N46-K49 HydrophobicContact CB-CG 4.5Å; N46-K49 PolarHBondContact O-N 3.03Å; N46-K49 PolarHBondContact OD1-N 3.18Å; N46-G84 CarbonylContact C-O 3.55Å; N46-F85 HydrophobicContact CB-CD1 4.26Å; N46-F85 HydrophobicContact CB-CE1 3.98Å
47T88.6Confident88.8Confident19 Ų1962.6 Ų62.612%0.11732%0.317CS..G310 helixtrans-69.8-26.5-176.157.10000112.5I45 K49 L50 H55 L58 G84 F85 H86I45-T47 PolarHBondContact O-N 3.02Å; T47-K49 PolarHBondContact O-N 2.93Å; T47-K49 VanDerWaalsContact O-N 3.16Å; T47-L50 HydrophobicContact CG2-CD1 4.4Å; T47-L50 PolarHBondContact O-N 2.94Å; T47-H55 PolarHBondContact O-CE1 3.48Å; T47-H55 VanDerWaalsContact O-CE1 3.23Å; T47-L58 HydrophobicContact CG2-CD2 4.19Å; T47-G84 PolarHBondContact N-O 3.41Å; T47-G84 WeakPolarHBondContact OG1-CA 3.49Å; T47-G84 PolarHBondContact OG1-O 3.16Å; T47-F85 PolarHBondContact OG1-N 2.9Å; T47-H86 HydrophobicContact CG2-CB 3.81Å
48K86.1Confident88.5Confident142 Ų14260.9 Ų60.962%0.61730%0.296SS*.G310 helixtrans-62.7-19.9173.5-67.7172.8175.9170.80112.9N46 E83N46-K48 VanDerWaalsContact C-N 3.3Å; N46-K48 PolarHBondContact O-N 2.94Å; N46-K48 WeakPolarHBondContact OD1-CB 3.29Å; N46-K48 PolarHBondContact OD1-N 3.4Å; N46-K48 VanDerWaalsContact OD1-N 3.14Å; K48-E83 IonicContact NZ-OE1 3.15Å; K48-E83 PolarHBondContact NZ-OE1 2.88Å
49K78.5Confident88.1Confident147 Ų14761.8 Ų61.864%0.63930%0.301SS*.G310 helixtrans-95.5-3.4175.6-66.9-170176.9-166.30114.5F25 N46 T47F25-K49 HydrophobicContact CD1-CB 4.28Å; N46-K49 HydrophobicContact CB-CG 4.5Å; N46-K49 PolarHBondContact O-N 3.03Å; N46-K49 PolarHBondContact OD1-N 3.18Å; T47-K49 PolarHBondContact O-N 2.93Å; T47-K49 VanDerWaalsContact O-N 3.16Å
50L78.1Confident87.8Confident24 Ų2461.8 Ų61.813%0.12630%0.297CS..  trans-91.2140.4-176.6-63.5-174.6000112.2F25 I45 T47 D54 L58F25-L50 HydrophobicContact CB-CD2 3.73Å; F25-L50 HydrophobicContact CD2-CD2 3.93Å; F25-L50 HydrophobicContact CG-CD2 3.83Å; I45-L50 HydrophobicContact CG2-CD1 3.83Å; I45-L50 HydrophobicContact CG2-CD2 4.37Å; I45-L50 HydrophobicContact CG2-CG 4.35Å; T47-L50 HydrophobicContact CG2-CD1 4.4Å; T47-L50 PolarHBondContact O-N 2.94Å; L50-D54 HydrophobicContact CB-CB 4.09Å; L50-D54 HydrophobicContact CD2-CB 4.02Å; L50-D54 HydrophobicContact CG-CB 4.46Å; L50-L58 HydrophobicContact CD1-CD2 4.02Å
51S81.1Confident87.5Confident56 Ų5661 Ų6139%0.39230%0.295SS..  trans-68.8165165.779.20000111.1R53 D54 H55S51-R53 PolarHBondContact O-N 2.97Å; S51-R53 PolarHBondContact OG-N 3.34Å; S51-D54 WeakPolarHBondContact CB-OD2 3.41Å; S51-D54 PolarHBondContact O-N 2.91Å; S51-D54 VanDerWaalsContact OG-CG 3.31Å; S51-D54 PolarHBondContact OG-N 2.83Å; S51-D54 PolarHBondContact OG-OD2 3.29Å; S51-H55 PolarHBondContact O-N 2.84Å; S51-H55 PolarHBondContact O-ND1 3.13Å
52A81.3Confident87.2Confident81 Ų8161 Ų6167%0.66930%0.295SS*.Hα-helixtrans-57.5-32.3172.300000112.5Q56A52-Q56 PolarHBondContact O-N 2.94Å
53R80.6Confident87Confident182 Ų18266.5 Ų66.569%0.68732%0.316SS*.Hα-helixtrans-69.6-33.8175.4-174.7-178.2-179-164.91.4112.2S51 K57S51-R53 PolarHBondContact O-N 2.97Å; S51-R53 PolarHBondContact OG-N 3.34Å; R53-K57 WeakPolarHBondContact O-CG 3.35Å; R53-K57 PolarHBondContact O-N 2.65Å
54D83.1Confident87.1Confident35 Ų3565.1 Ų65.119%0.18731%0.309CS..Hα-helixtrans-80.9-29.3-179.4-57.8-55.5000112L50 S51 K57 L58L50-D54 HydrophobicContact CB-CB 4.09Å; L50-D54 HydrophobicContact CD2-CB 4.02Å; L50-D54 HydrophobicContact CG-CB 4.46Å; S51-D54 WeakPolarHBondContact CB-OD2 3.41Å; S51-D54 PolarHBondContact O-N 2.91Å; S51-D54 VanDerWaalsContact OG-CG 3.31Å; S51-D54 PolarHBondContact OG-N 2.83Å; S51-D54 PolarHBondContact OG-OD2 3.29Å; D54-K57 WeakPolarHBondContact O-CB 2.99Å; D54-K57 PolarHBondContact O-N 3.4Å; D54-K57 WeakPolarHBondContact OD1-CE 3.36Å; D54-K57 IonicContact OD1-NZ 3.65Å; D54-K57 PolarHBondContact OD1-NZ 2.89Å; D54-L58 PolarHBondContact O-N 3.4Å
55H84.9Confident87Confident66 Ų6664.6 Ų64.631%0.30631%0.307SS..Hα-helixtrans-56.8-48.1164.9-77.685.8000111.6T47 S51 K57 L58 E59T47-H55 PolarHBondContact O-CE1 3.48Å; T47-H55 VanDerWaalsContact O-CE1 3.23Å; S51-H55 PolarHBondContact O-N 2.84Å; S51-H55 PolarHBondContact O-ND1 3.13Å; H55-K57 VanDerWaalsContact C-N 3.26Å; H55-K57 PolarHBondContact O-N 3.47Å; H55-L58 WeakPolarHBondContact O-CB 3.45Å; H55-L58 PolarHBondContact O-N 3Å; H55-L58 VanDerWaalsContact O-N 3.09Å; H55-E59 PolarHBondContact O-N 3.34Å
56Q86.3Confident87.1Confident122 Ų12270.3 Ų70.357%0.5733%0.328SS*.Hα-helixtrans-62.4-29.9176.6-70178.5-1400113.7A52 R60A52-Q56 PolarHBondContact O-N 2.94Å; Q56-R60 PolarHBondContact O-N 2.91Å
57K85.8Confident87.3Confident73 Ų7372.7 Ų72.732%0.31734%0.34SS..Hα-helixtrans-69.7-44.7172.1-67173.7-168.81640110.9R53 D54 H55 R60 E61R53-K57 WeakPolarHBondContact O-CG 3.35Å; R53-K57 PolarHBondContact O-N 2.65Å; D54-K57 WeakPolarHBondContact O-CB 2.99Å; D54-K57 PolarHBondContact O-N 3.4Å; D54-K57 WeakPolarHBondContact OD1-CE 3.36Å; D54-K57 IonicContact OD1-NZ 3.65Å; D54-K57 PolarHBondContact OD1-NZ 2.89Å; H55-K57 VanDerWaalsContact C-N 3.26Å; H55-K57 PolarHBondContact O-N 3.47Å; K57-R60 WeakPolarHBondContact O-CB 3.29Å; K57-R60 PolarHBondContact O-N 3.31Å; K57-E61 PolarHBondContact O-N 3.17Å
58L87.5Confident87.6Confident12 Ų1271.9 Ų71.96%0.06334%0.335CS..Hα-helixtrans-60.6-45.4178.517258.4000111.8I45 T47 L50 D54 H55 R60 E61 A62 H86 L88I45-L58 HydrophobicContact CD1-CD1 3.7Å; I45-L58 HydrophobicContact CG2-CD2 4.27Å; T47-L58 HydrophobicContact CG2-CD2 4.19Å; L50-L58 HydrophobicContact CD1-CD2 4.02Å; D54-L58 PolarHBondContact O-N 3.4Å; H55-L58 WeakPolarHBondContact O-CB 3.45Å; H55-L58 PolarHBondContact O-N 3Å; H55-L58 VanDerWaalsContact O-N 3.09Å; L58-R60 VanDerWaalsContact C-N 3.29Å; L58-R60 PolarHBondContact O-N 3.29Å; L58-E61 PolarHBondContact O-N 2.89Å; L58-A62 WeakPolarHBondContact O-CB 3.5Å; L58-A62 PolarHBondContact O-N 3.45Å; L58-H86 HydrophobicContact CD2-CB 3.84Å; L58-L88 HydrophobicContact CD1-CD1 3.92Å; L58-L88 HydrophobicContact CD1-CG 4.47Å
59E88.7Confident88.1Confident123 Ų12371 Ų7158%0.57533%0.332SS*.Hα-helixtrans-60.1-38.6175-71.4174.7176.800112.5H55 R63H55-E59 PolarHBondContact O-N 3.34Å; E59-R63 WeakPolarHBondContact O-CB 3.15Å; E59-R63 PolarHBondContact O-N 3.47Å; E59-R63 VanDerWaalsContact O-N 3.07Å
60R91.1Very high89Confident77 Ų7765.9 Ų65.929%0.29131%0.31SS..Hα-helixtrans-68-46.7174.6-171.8-172.6-55.3133.79.7111.7Q56 K57 L58 A62 R63 I64 A161Q56-R60 PolarHBondContact O-N 2.91Å; K57-R60 WeakPolarHBondContact O-CB 3.29Å; K57-R60 PolarHBondContact O-N 3.31Å; L58-R60 VanDerWaalsContact C-N 3.29Å; L58-R60 PolarHBondContact O-N 3.29Å; R60-A62 VanDerWaalsContact C-N 3.35Å; R60-A62 PolarHBondContact O-N 3.41Å; R60-R63 PolarHBondContact O-N 2.9Å; R60-I64 HydrophobicContact CG-CD1 3.76Å; R60-I64 HydrophobicContact CG-CG1 4.3Å; R60-I64 WeakPolarHBondContact O-CB 3.22Å; R60-I64 WeakPolarHBondContact O-CG1 3.43Å; R60-I64 PolarHBondContact O-N 3.36Å; R60-A161 WeakPolarHBondContact CD-O 3.33Å
61E91.1Very high90Very high17 Ų1769 Ų698%0.07933%0.331CS..Hα-helixtrans-57-49.2177.3-170.6-170.5149.500110.3K43 K57 L58 R63 I64 C65 F158K43-E61 VanDerWaalsContact NZ-CD 3.3Å; K43-E61 IonicContact NZ-OE1 2.78Å; K43-E61 PolarHBondContact NZ-OE1 2.87Å; K43-E61 IonicContact NZ-OE2 2.98Å; K43-E61 PolarHBondContact NZ-OE2 3.19Å; K43-E61 VanDerWaalsContact NZ-OE2 3.16Å; K57-E61 PolarHBondContact O-N 3.17Å; L58-E61 PolarHBondContact O-N 2.89Å; E61-R63 PolarHBondContact O-N 3.18Å; E61-I64 PolarHBondContact O-N 2.73Å; E61-C65 VanDerWaalsContact O-CB 3.28Å; E61-C65 WeakPolarHBondContact O-CB 3.41Å; E61-C65 PolarHBondContact O-N 3.21Å; E61-C65 PolarHBondContact O-SG 2.67Å; E61-F158 HydrophobicContact CG-CB 4.42Å
62A91Very high90.8Very high10 Ų1066.8 Ų66.88%0.08332%0.315CS..Hα-helixtrans-61.7-40.1178.400000112.8L58 R60 R66 L88L58-A62 WeakPolarHBondContact O-CB 3.5Å; L58-A62 PolarHBondContact O-N 3.45Å; R60-A62 VanDerWaalsContact C-N 3.35Å; R60-A62 PolarHBondContact O-N 3.41Å; A62-R66 VanDerWaalsContact O-CB 3.29Å; A62-R66 WeakPolarHBondContact O-CB 3.21Å; A62-R66 PolarHBondContact O-N 3.24Å; A62-R66 VanDerWaalsContact O-N 3.15Å; A62-L88 HydrophobicContact CB-CD2 3.84Å
63R93.6Very high91.6Very high116 Ų11663 Ų6344%0.43828%0.283SS..Hα-helixtrans-66-50.9176.1179.517563.4-106.210112E59 R60 E61 R66 L67 E163E59-R63 WeakPolarHBondContact O-CB 3.15Å; E59-R63 PolarHBondContact O-N 3.47Å; E59-R63 VanDerWaalsContact O-N 3.07Å; R60-R63 PolarHBondContact O-N 2.9Å; E61-R63 PolarHBondContact O-N 3.18Å; R63-R66 PolarHBondContact O-N 2.94Å; R63-L67 PolarHBondContact O-N 3.4Å; R63-E163 IonicContact CZ-OE1 3.51Å; R63-E163 IonicContact CZ-OE2 3.28Å; R63-E163 IonicContact NE-OE1 2.92Å; R63-E163 PolarHBondContact NE-OE1 2.92Å; R63-E163 IonicContact NE-OE2 3.96Å; R63-E163 IonicContact NH2-OE1 2.91Å; R63-E163 PolarHBondContact NH2-OE1 3.5Å; R63-E163 IonicContact NH2-OE2 2.63Å; R63-E163 PolarHBondContact NH2-OE2 2.86Å
64I94.9Very high92.4Very high1 Ų155 Ų551%0.00526%0.255CS..Hα-helixtrans-56.9-52.9178.4-75.8177.5000109.9R60 E61 R66 L67 L68 I132 F158 A161 E163R60-I64 HydrophobicContact CG-CD1 3.76Å; R60-I64 HydrophobicContact CG-CG1 4.3Å; R60-I64 WeakPolarHBondContact O-CB 3.22Å; R60-I64 WeakPolarHBondContact O-CG1 3.43Å; R60-I64 PolarHBondContact O-N 3.36Å; E61-I64 PolarHBondContact O-N 2.73Å; I64-R66 PolarHBondContact O-N 2.82Å; I64-L67 WeakPolarHBondContact O-CB 3.46Å; I64-L67 PolarHBondContact O-N 2.9Å; I64-L68 HydrophobicContact CG2-CD1 3.8Å; I64-L68 HydrophobicContact CG2-CG 4.43Å; I64-L68 WeakPolarHBondContact O-CG 3.36Å; I64-L68 PolarHBondContact O-N 3.25Å; I64-L68 VanDerWaalsContact O-N 3.14Å; I64-I132 HydrophobicContact CB-CD1 4.45Å; I64-I132 HydrophobicContact CD1-CG1 4.45Å; I64-I132 HydrophobicContact CD1-CG2 4.43Å; I64-I132 HydrophobicContact CG1-CD1 4.24Å; I64-I132 HydrophobicContact CG1-CG1 4.24Å; I64-I132 HydrophobicContact CG2-CD1 3.96Å; I64-I132 HydrophobicContact CG2-CG1 4.39Å; I64-I132 HydrophobicContact CG2-CG2 4.02Å; I64-F158 HydrophobicContact CG2-CB 4.14Å; I64-F158 HydrophobicContact CG2-CD1 3.91Å; I64-F158 HydrophobicContact CG2-CG 4.13Å; I64-A161 HydrophobicContact CD1-CB 3.79Å; I64-A161 HydrophobicContact CG2-CB 4.44Å; I64-E163 HydrophobicContact CD1-CG 4.32Å; I64-E163 HydrophobicContact CG1-CG 4.25Å
65C93.8Very high93Very high5 Ų558.4 Ų58.43%0.03427%0.265CS..Hα-helixtrans-64.4-24.2-178.3-67.90000113.7E61 L76 F90E61-C65 VanDerWaalsContact O-CB 3.28Å; E61-C65 WeakPolarHBondContact O-CB 3.41Å; E61-C65 PolarHBondContact O-N 3.21Å; E61-C65 PolarHBondContact O-SG 2.67Å; C65-L76 HydrophobicContact CB-CB 3.8Å; C65-L76 HydrophobicContact CB-CD2 3.91Å; C65-L76 HydrophobicContact CB-CG 4.4Å; C65-L76 WeakPolarHBondContact O-CB 3.28Å; C65-F90 HydrophobicContact CB-CE1 4.07Å; C65-F90 HydrophobicContact CB-CZ 4.49Å
66R93.1Very high93.5Very high129 Ų12955.8 Ų55.849%0.48725%0.253SS..Hα-helixtrans-78.8-27.3174.5-179.8164.9-87.5158-8.7113.2A62 R63 I64 L76 D78A62-R66 VanDerWaalsContact O-CB 3.29Å; A62-R66 WeakPolarHBondContact O-CB 3.21Å; A62-R66 PolarHBondContact O-N 3.24Å; A62-R66 VanDerWaalsContact O-N 3.15Å; R63-R66 PolarHBondContact O-N 2.94Å; I64-R66 PolarHBondContact O-N 2.82Å; R66-L76 HydrophobicContact CB-CD2 4.24Å; R66-D78 IonicContact NH2-OD1 2.67Å
67L93.9Very high93.9Very high89 Ų8953.1 Ų53.147%0.46624%0.241SC..Hα-helixtrans-74.3-44.5174-17861.9000111.4R63 I64 K69 H130 I132R63-L67 PolarHBondContact O-N 3.4Å; I64-L67 WeakPolarHBondContact O-CB 3.46Å; I64-L67 PolarHBondContact O-N 2.9Å; L67-K69 PolarHBondContact O-N 3.22Å; L67-H130 HydrophobicContact CD2-CB 4.11Å; L67-I132 HydrophobicContact CD2-CD1 3.99Å
68L95.8Very high94.3Very high2 Ų251.3 Ų51.31%0.0124%0.235CC..  trans-73118.8-171.3-63178.7000113.1I64 I73 I127 H130 I132 F158I64-L68 HydrophobicContact CG2-CD1 3.8Å; I64-L68 HydrophobicContact CG2-CG 4.43Å; I64-L68 WeakPolarHBondContact O-CG 3.36Å; I64-L68 PolarHBondContact O-N 3.25Å; I64-L68 VanDerWaalsContact O-N 3.14Å; L68-I73 HydrophobicContact CB-CD1 4.3Å; L68-I73 HydrophobicContact CB-CG2 4.49Å; L68-I73 HydrophobicContact CD1-CD1 4.42Å; L68-I127 HydrophobicContact CD1-CG2 3.59Å; L68-I127 HydrophobicContact CD2-CB 4.3Å; L68-I127 HydrophobicContact CD2-CG2 3.76Å; L68-I127 HydrophobicContact CG-CG2 4.29Å; L68-H130 HydrophobicContact CD2-CB 4.17Å; L68-I132 HydrophobicContact CD1-CD1 4.26Å; L68-I132 HydrophobicContact CD2-CD1 3.71Å; L68-I132 HydrophobicContact CG-CD1 4Å; L68-F158 HydrophobicContact CD1-CD1 3.96Å; L68-F158 HydrophobicContact CD1-CE1 3.46Å; L68-F158 VanDerWaalsContact CD1-CE1 3.46Å; L68-F158 HydrophobicContact CD1-CE2 4.26Å; L68-F158 HydrophobicContact CD1-CZ 3.63Å
69K96.3Very high94.5Very high125 Ų12552 Ų5254%0.54324%0.24SC..  trans-13591.1179.9-66.2171.7-171.41660110L67 H126L67-K69 PolarHBondContact O-N 3.22Å; K69-H126 PolarHBondContact N-NE2 3.39Å; K69-H126 VanDerWaalsContact N-NE2 3.17Å; K69-H126 PolarHBondContact O-CE1 3.19Å
70H98.1Very high94.7Very high39 Ų3947 Ų4718%0.18122%0.218CC..  trans-142143-177.7-168.3-96.6000110N72 I73 H126H70-N72 PolarHBondContact CE1-OD1 3.43Å; H70-N72 VanDerWaalsContact CE1-OD1 3.26Å; H70-N72 PolarHBondContact ND1-N 3.37Å; H70-N72 VanDerWaalsContact ND1-N 3.2Å; H70-N72 PolarHBondContact O-N 2.95Å; H70-I73 HydrophobicContact CB-CB 4.18Å; H70-I73 HydrophobicContact CB-CD1 3.74Å; H70-I73 HydrophobicContact CB-CG1 3.88Å; H70-I73 PolarHBondContact O-N 3Å; H70-I73 VanDerWaalsContact O-N 3.1Å; H70-H126 HydrophobicContact CB-CB 4.36Å; H70-H126 AromaticContact CD2-CG 3.61Å; H70-H126 AromaticContact CD2-ND1 3.47Å; H70-H126 PolarHBondContact CD2-ND1 3.01Å; H70-H126 AromaticContact CG-CG 3.85Å
71P97.5Very high94.7Very high89 Ų8947.4 Ų47.458%0.57823%0.232SC*.THydrogen-bonded Turntrans-54.5-40.1178.418.7-31.9000112.8I73 K154P71-I73 VanDerWaalsContact C-N 3.29Å; P71-I73 PolarHBondContact O-N 3.02Å; P71-K154 VanDerWaalsContact O-CE 3.3Å; P71-K154 WeakPolarHBondContact O-CE 3.17Å; P71-K154 PolarHBondContact O-NZ 3.07Å
72N98.4Very high94.7Very high9 Ų948.6 Ų48.65%0.04824%0.237CC..THydrogen-bonded Turntrans-88.121.3-180-51.988.8000114.5H70 Q119 S123 V153 K154 L155H70-N72 PolarHBondContact CE1-OD1 3.43Å; H70-N72 VanDerWaalsContact CE1-OD1 3.26Å; H70-N72 PolarHBondContact ND1-N 3.37Å; H70-N72 VanDerWaalsContact ND1-N 3.2Å; H70-N72 PolarHBondContact O-N 2.95Å; N72-Q119 PolarHBondContact ND2-OE1 3.23Å; N72-S123 WeakPolarHBondContact O-CB 3.35Å; N72-V153 VanDerWaalsContact CA-O 3.29Å; N72-V153 WeakPolarHBondContact CA-O 3.2Å; N72-V153 VanDerWaalsContact CB-O 3.24Å; N72-V153 WeakPolarHBondContact CB-O 3.21Å; N72-V153 PolarHBondContact ND2-O 3.15Å; N72-K154 WeakPolarHBondContact O-CA 3.49Å; N72-L155 PolarHBondContact O-N 3.33Å
73I98.4Very high94.5Very high1 Ų155.8 Ų55.81%0.00527%0.269CS..BIsolated β-bridgetrans-122.4144.4170.2-63.6176.6000108.2L68 H70 P71 R75 I127 K154 L155 F158L68-I73 HydrophobicContact CB-CD1 4.3Å; L68-I73 HydrophobicContact CB-CG2 4.49Å; L68-I73 HydrophobicContact CD1-CD1 4.42Å; H70-I73 HydrophobicContact CB-CB 4.18Å; H70-I73 HydrophobicContact CB-CD1 3.74Å; H70-I73 HydrophobicContact CB-CG1 3.88Å; H70-I73 PolarHBondContact O-N 3Å; H70-I73 VanDerWaalsContact O-N 3.1Å; P71-I73 VanDerWaalsContact C-N 3.29Å; P71-I73 PolarHBondContact O-N 3.02Å; I73-R75 PolarHBondContact O-N 3.42Å; I73-I127 HydrophobicContact CD1-CG2 3.62Å; I73-K154 PolarHBondContact O-NZ 2.93Å; I73-L155 HydrophobicContact CG1-CB 4.43Å; I73-F158 HydrophobicContact CG2-CE2 3.78Å; I73-F158 HydrophobicContact CG2-CZ 3.93Å
74V96.9Very high94.2Very high14 Ų1450.6 Ų50.69%0.08525%0.251CS..  trans-71.9105.7169.5177.60000108.3F90 D91 V93 K154 L155 A156V74-F90 HydrophobicContact CG1-CB 3.84Å; V74-F90 HydrophobicContact CG1-CD1 3.96Å; V74-F90 HydrophobicContact CG1-CG 4.21Å; V74-D91 HydrophobicContact CG1-CB 4.19Å; V74-V93 HydrophobicContact CG2-CG1 4.17Å; V74-K154 HydrophobicContact CG2-CB 3.86Å; V74-K154 HydrophobicContact CG2-CD 4.43Å; V74-L155 PolarHBondContact N-O 3.01Å; V74-A156 HydrophobicContact CB-CB 4.43Å; V74-A156 HydrophobicContact CG2-CB 3.81Å
75R95.8Very high94.1Very high108 Ų10854.3 Ų54.341%0.40827%0.268SS..  trans-75.1138-172.9174.5174.6172.5167.8-5.3111.9I73 F90 D91I73-R75 PolarHBondContact O-N 3.42Å; R75-F90 CarbonylContact O-C 3.56Å; R75-F90 VanDerWaalsContact O-CA 3.22Å; R75-F90 WeakPolarHBondContact O-CA 3.38Å; R75-D91 PolarHBondContact N-OD2 3.32Å; R75-D91 PolarHBondContact O-N 3.5Å
76L95.9Very high94Very high10 Ų1055.2 Ų55.25%0.05227%0.272CS..EExtended strand (participates in β ladder)trans-82126.4163.8-171.973.1000110C65 R66 D78 L88 F90C65-L76 HydrophobicContact CB-CB 3.8Å; C65-L76 HydrophobicContact CB-CD2 3.91Å; C65-L76 HydrophobicContact CB-CG 4.4Å; C65-L76 WeakPolarHBondContact O-CB 3.28Å; R66-L76 HydrophobicContact CB-CD2 4.24Å; L76-D78 VanDerWaalsContact CD1-O 3.24Å; L76-D78 WeakPolarHBondContact CD1-O 3.34Å; L76-L88 HydrophobicContact CD1-CB 3.75Å; L76-L88 HydrophobicContact CD1-CD2 4.21Å; L76-L88 HydrophobicContact CD1-CG 4.5Å; L76-L88 HydrophobicContact CD2-CD2 4.45Å; L76-F90 HydrophobicContact CB-CD1 4.1Å; L76-F90 HydrophobicContact CB-CE1 3.95Å; L76-F90 HydrophobicContact CD1-CD1 3.98Å; L76-F90 HydrophobicContact CD1-CD2 4.18Å; L76-F90 HydrophobicContact CD1-CE1 3.75Å; L76-F90 HydrophobicContact CD1-CE2 3.97Å; L76-F90 HydrophobicContact CD1-CG 4.2Å; L76-F90 HydrophobicContact CD1-CZ 3.76Å; L76-F90 HydrophobicContact CG-CE1 4.45Å
77H94.5Very high94.1Very high67 Ų6750 Ų5031%0.3125%0.252SS..EExtended strand (participates in β ladder)trans-96.5-43.2174.6-66-90.4000111.3Y40 V89 D91Y40-H77 HydrophobicContact CD1-CB 4.46Å; Y40-H77 AromaticContact CD1-CD2 3.73Å; Y40-H77 HydrophobicContact CE1-CB 4.11Å; Y40-H77 AromaticContact CE1-CD2 3.61Å; Y40-H77 AromaticContact CE1-CE1 3.97Å; Y40-H77 AromaticContact CE1-CG 3.57Å; Y40-H77 AromaticContact CE1-ND1 3.84Å; Y40-H77 AromaticContact CE1-NE2 3.86Å; H77-V89 PolarHBondContact N-O 2.94Å; H77-D91 IonicContact CD2-OD1 2.67Å; H77-D91 IonicContact CE1-OD1 3.55Å; H77-D91 IonicContact NE2-OD1 2.61Å; H77-D91 PolarHBondContact NE2-OD1 3.26Å
78D93.1Very high94.1Very high35 Ų3545.8 Ų45.819%0.18723%0.23CC..EExtended strand (participates in β ladder)trans-144.1157.8-176.1-147.3-14.9000113.4R66 L76 V89R66-D78 IonicContact NH2-OD1 2.67Å; L76-D78 VanDerWaalsContact CD1-O 3.24Å; L76-D78 WeakPolarHBondContact CD1-O 3.34Å; D78-V89 HydrophobicContact CB-CB 3.97Å; D78-V89 HydrophobicContact CB-CG2 4.11Å; D78-V89 PolarHBondContact N-O 3.14Å; D78-V89 PolarHBondContact O-N 3.24Å
79S93.1Very high94.1Very high26 Ų2645.7 Ų45.718%0.18223%0.229CC..EExtended strand (participates in β ladder)trans-144.697.2179.6162.70000109H86 Y87S79-H86 PolarHBondContact OG-NE2 3.2Å; S79-Y87 CarbonylContact C-O 3.5Å; S79-Y87 WeakPolarHBondContact CA-O 3.38Å
80I92.9Very high94.2Very high19 Ų1940.9 Ų40.910%0.09721%0.208CC..EExtended strand (participates in β ladder)trans-107128.9-174.8-55.2174.6000108.8F10 Y14 E82 Y87F10-I80 HydrophobicContact CB-CD1 4.32Å; F10-I80 HydrophobicContact CB-CG2 4.43Å; F10-I80 HydrophobicContact CD2-CD1 4.21Å; Y14-I80 HydrophobicContact CD2-CD1 4.35Å; Y14-I80 HydrophobicContact CE2-CD1 4.23Å; I80-E82 HydrophobicContact CG2-CG 4.35Å; I80-Y87 PolarHBondContact N-O 3.08Å; I80-Y87 PolarHBondContact O-N 2.82Å
81S90.8Very high94.1Very high84 Ų8440.7 Ų40.759%0.58721%0.209SC*.EExtended strand (participates in β ladder)trans-109125.4175.3-173.90000109.8
82E90.8Very high94Very high43 Ų4338.1 Ų38.120%0.20119%0.19CC..EExtended strand (participates in β ladder)trans-119.4178.2175.6-62.8-170.9163.300110.7R9 F10 I80 G84 F85 Y87R9-E82 WeakPolarHBondContact CA-OE1 3.5Å; R9-E82 WeakPolarHBondContact CB-OE1 3.29Å; F10-E82 PolarHBondContact N-OE1 2.57Å; I80-E82 HydrophobicContact CG2-CG 4.35Å; E82-G84 PolarHBondContact O-N 2.69Å; E82-F85 CarbonylContact C-O 3.5Å; E82-F85 PolarHBondContact N-O 2.86Å; E82-F85 PolarHBondContact O-N 2.93Å; E82-F85 VanDerWaalsContact O-O 3.12Å; E82-Y87 HydrophobicContact CB-CE2 4.12Å; E82-Y87 HydrophobicContact CG-CD2 4.3Å; E82-Y87 HydrophobicContact CG-CE2 3.79Å; E82-Y87 WeakPolarHBondContact OE2-CE2 3.19Å; E82-Y87 PolarHBondContact OE2-OH 2.83Å
83E87.5Confident93.8Very high161 Ų16139.2 Ų39.275%0.75220%0.197SC*.THydrogen-bonded Turntrans-6997.6178.8-162.4-146.7121.300112K48K48-E83 IonicContact NZ-OE1 3.15Å; K48-E83 PolarHBondContact NZ-OE1 2.88Å
84G86.8Confident93.6Very high6 Ų643 Ų436%0.06222%0.22CC..THydrogen-bonded Turntrans89.11.8177.600000115.7N46 T47 E82N46-G84 CarbonylContact C-O 3.55Å; T47-G84 PolarHBondContact N-O 3.41Å; T47-G84 WeakPolarHBondContact OG1-CA 3.49Å; T47-G84 PolarHBondContact OG1-O 3.16Å; E82-G84 PolarHBondContact O-N 2.69Å
85F91.9Very high93.4Very high79 Ų7942.9 Ų42.935%0.34622%0.222SC..EExtended strand (participates in β ladder)trans-137.1143.3175-66.5-79.8000111.8I44 I45 N46 T47 E82 Y87I44-F85 HydrophobicContact CG2-CD1 4Å; I45-F85 CarbonylContact O-C 3.49Å; I45-F85 VanDerWaalsContact O-CA 3.27Å; I45-F85 WeakPolarHBondContact O-CA 2.93Å; N46-F85 HydrophobicContact CB-CD1 4.26Å; N46-F85 HydrophobicContact CB-CE1 3.98Å; T47-F85 PolarHBondContact OG1-N 2.9Å; E82-F85 CarbonylContact C-O 3.5Å; E82-F85 PolarHBondContact N-O 2.86Å; E82-F85 PolarHBondContact O-N 2.93Å; E82-F85 VanDerWaalsContact O-O 3.12Å; F85-Y87 HydrophobicContact CB-CD2 4.49Å; F85-Y87 HydrophobicContact CB-CE2 3.67Å
86H92.6Very high93.2Very high25 Ų2539.6 Ų39.612%0.11622%0.222CC..EExtended strand (participates in β ladder)trans-122.6132.7170.2-160.5122.1000108.9I45 T47 L58 S79I45-H86 HydrophobicContact CB-CB 4.49Å; I45-H86 PolarHBondContact N-O 2.8Å; I45-H86 PolarHBondContact O-N 2.8Å; T47-H86 HydrophobicContact CG2-CB 3.81Å; L58-H86 HydrophobicContact CD2-CB 3.84Å; S79-H86 PolarHBondContact OG-NE2 3.2Å
87Y94.8Very high93Very high19 Ų1940.9 Ų40.98%0.07523%0.227CC..EExtended strand (participates in β ladder)trans-114116.2-176.8-56.9-102000109F10 I44 S79 I80 E82 F85F10-Y87 HydrophobicContact CB-CD1 3.93Å; F10-Y87 HydrophobicContact CB-CD2 3.86Å; F10-Y87 HydrophobicContact CB-CE1 4.02Å; F10-Y87 HydrophobicContact CB-CE2 3.98Å; F10-Y87 HydrophobicContact CB-CG 3.86Å; F10-Y87 AromaticContact CD1-CD1 3.9Å; F10-Y87 HydrophobicContact CD1-CD1 3.9Å; F10-Y87 AromaticContact CD1-CE1 3.85Å; F10-Y87 HydrophobicContact CD1-CE1 3.85Å; F10-Y87 AromaticContact CD2-CD1 3.39Å; F10-Y87 HydrophobicContact CD2-CD1 3.39Å; F10-Y87 HydrophobicContact CD2-CD2 4.35Å; F10-Y87 HydrophobicContact CD2-CE1 4.16Å; F10-Y87 AromaticContact CD2-CG 3.51Å; F10-Y87 HydrophobicContact CD2-CG 3.51Å; F10-Y87 HydrophobicContact CE1-CD1 4.34Å; F10-Y87 HydrophobicContact CE1-CE1 4.45Å; F10-Y87 AromaticContact CE2-CD1 3.84Å; F10-Y87 HydrophobicContact CE2-CD1 3.84Å; F10-Y87 HydrophobicContact CE2-CG 4.26Å; F10-Y87 AromaticContact CG-CD1 3.42Å; F10-Y87 HydrophobicContact CG-CD1 3.42Å; F10-Y87 VanDerWaalsContact CG-CD1 3.42Å; F10-Y87 HydrophobicContact CG-CD2 4.25Å; F10-Y87 AromaticContact CG-CE1 3.71Å; F10-Y87 HydrophobicContact CG-CE1 3.71Å; F10-Y87 AromaticContact CG-CG 3.73Å; F10-Y87 HydrophobicContact CG-CG 3.73Å; F10-Y87 HydrophobicContact CZ-CD1 4.29Å; I44-Y87 HydrophobicContact CB-CD1 4.39Å; I44-Y87 HydrophobicContact CB-CE1 4.45Å; I44-Y87 HydrophobicContact CD1-CD1 4.49Å; I44-Y87 HydrophobicContact CD1-CE1 4.25Å; I44-Y87 HydrophobicContact CG1-CD1 3.88Å; I44-Y87 HydrophobicContact CG1-CE1 4.05Å; I44-Y87 HydrophobicContact CG2-CD1 4.07Å; I44-Y87 HydrophobicContact CG2-CE1 3.74Å; S79-Y87 CarbonylContact C-O 3.5Å; S79-Y87 WeakPolarHBondContact CA-O 3.38Å; I80-Y87 PolarHBondContact N-O 3.08Å; I80-Y87 PolarHBondContact O-N 2.82Å; E82-Y87 HydrophobicContact CB-CE2 4.12Å; E82-Y87 HydrophobicContact CG-CD2 4.3Å; E82-Y87 HydrophobicContact CG-CE2 3.79Å; E82-Y87 WeakPolarHBondContact OE2-CE2 3.19Å; E82-Y87 PolarHBondContact OE2-OH 2.83Å; F85-Y87 HydrophobicContact CB-CD2 4.49Å; F85-Y87 HydrophobicContact CB-CE2 3.67Å
88L94.6Very high93Very high0 Ų037.7 Ų37.70%021%0.213CC..EExtended strand (participates in β ladder)trans-103.7116.3170-61.6-178.7000108.6A42 K43 I45 L58 A62 L76 F90A42-L88 WeakPolarHBondContact CA-O 3.4Å; K43-L88 HydrophobicContact CB-CB 4.33Å; K43-L88 PolarHBondContact N-O 2.73Å; K43-L88 PolarHBondContact O-N 2.86Å; I45-L88 HydrophobicContact CD1-CD1 4.05Å; I45-L88 HydrophobicContact CD1-CG 4.07Å; L58-L88 HydrophobicContact CD1-CD1 3.92Å; L58-L88 HydrophobicContact CD1-CG 4.47Å; A62-L88 HydrophobicContact CB-CD2 3.84Å; L76-L88 HydrophobicContact CD1-CB 3.75Å; L76-L88 HydrophobicContact CD1-CD2 4.21Å; L76-L88 HydrophobicContact CD1-CG 4.5Å; L76-L88 HydrophobicContact CD2-CD2 4.45Å; L88-F90 HydrophobicContact CB-CD2 4.12Å; L88-F90 HydrophobicContact CB-CE2 3.45Å; L88-F90 VanDerWaalsContact CB-CE2 3.45Å; L88-F90 HydrophobicContact CB-CZ 4.1Å; L88-F90 HydrophobicContact CD1-CE2 4.25Å; L88-F90 HydrophobicContact CD1-CZ 4.31Å; L88-F90 WeakPolarHBondContact O-CD2 3.41Å
89V96.4Very high92.9Very high0 Ų036 Ų360%020%0.204CC..EExtended strand (participates in β ladder)trans-100.7109-173.6-175.10000109.7F10 Y14 Y40 H77 D78F10-V89 HydrophobicContact CD2-CG2 4.37Å; F10-V89 HydrophobicContact CE2-CG2 3.84Å; Y14-V89 HydrophobicContact CE1-CG1 3.81Å; Y40-V89 HydrophobicContact CD1-CG1 4.03Å; Y40-V89 HydrophobicContact CD2-CG1 4.42Å; Y40-V89 HydrophobicContact CG-CG1 3.77Å; H77-V89 PolarHBondContact N-O 2.94Å; D78-V89 HydrophobicContact CB-CB 3.97Å; D78-V89 HydrophobicContact CB-CG2 4.11Å; D78-V89 PolarHBondContact N-O 3.14Å; D78-V89 PolarHBondContact O-N 3.24Å
90F96.8Very high92.6Very high24 Ų2437.8 Ų37.811%0.10521%0.209CC..EExtended strand (participates in β ladder)trans-107.8165.4-174.4-70.1-83.6000113.1Y40 A41 K43 C65 V74 R75 L76 L88 L92Y40-F90 WeakPolarHBondContact CA-O 3.46Å; Y40-F90 WeakPolarHBondContact CB-O 3.32Å; A41-F90 PolarHBondContact N-O 3.32Å; A41-F90 PolarHBondContact O-N 3.11Å; K43-F90 HydrophobicContact CB-CD2 4.32Å; K43-F90 HydrophobicContact CB-CE2 4.11Å; K43-F90 HydrophobicContact CD-CE2 4.26Å; C65-F90 HydrophobicContact CB-CE1 4.07Å; C65-F90 HydrophobicContact CB-CZ 4.49Å; V74-F90 HydrophobicContact CG1-CB 3.84Å; V74-F90 HydrophobicContact CG1-CD1 3.96Å; V74-F90 HydrophobicContact CG1-CG 4.21Å; R75-F90 CarbonylContact O-C 3.56Å; R75-F90 VanDerWaalsContact O-CA 3.22Å; R75-F90 WeakPolarHBondContact O-CA 3.38Å; L76-F90 HydrophobicContact CB-CD1 4.1Å; L76-F90 HydrophobicContact CB-CE1 3.95Å; L76-F90 HydrophobicContact CD1-CD1 3.98Å; L76-F90 HydrophobicContact CD1-CD2 4.18Å; L76-F90 HydrophobicContact CD1-CE1 3.75Å; L76-F90 HydrophobicContact CD1-CE2 3.97Å; L76-F90 HydrophobicContact CD1-CG 4.2Å; L76-F90 HydrophobicContact CD1-CZ 3.76Å; L76-F90 HydrophobicContact CG-CE1 4.45Å; L88-F90 HydrophobicContact CB-CD2 4.12Å; L88-F90 HydrophobicContact CB-CE2 3.45Å; L88-F90 VanDerWaalsContact CB-CE2 3.45Å; L88-F90 HydrophobicContact CB-CZ 4.1Å; L88-F90 HydrophobicContact CD1-CE2 4.25Å; L88-F90 HydrophobicContact CD1-CZ 4.31Å; L88-F90 WeakPolarHBondContact O-CD2 3.41Å; F90-L92 PolarHBondContact O-N 3.2Å
91D95.9Very high92.6Very high35 Ų3539 Ų3919%0.18722%0.216CC..EExtended strand (participates in β ladder)trans-45130.3161.4-73.4-20.9000110.4V74 R75 H77 V93 K154V74-D91 HydrophobicContact CG1-CB 4.19Å; R75-D91 PolarHBondContact N-OD2 3.32Å; R75-D91 PolarHBondContact O-N 3.5Å; H77-D91 IonicContact CD2-OD1 2.67Å; H77-D91 IonicContact CE1-OD1 3.55Å; H77-D91 IonicContact NE2-OD1 2.61Å; H77-D91 PolarHBondContact NE2-OD1 3.26Å; D91-V93 PolarHBondContact O-N 2.93Å; D91-K154 IonicContact OD2-NZ 2.72Å; D91-K154 PolarHBondContact OD2-NZ 3.21Å
92L95.9Very high92.5Very high36 Ų3635 Ų3519%0.18819%0.188CC..  trans-75.9116.1166.4-177.162.3000109.1L20 R30 E39 A41 F90 T94L20-L92 HydrophobicContact CD1-CD1 3.55Å; R30-L92 HydrophobicContact CG-CD1 4.37Å; R30-L92 HydrophobicContact CG-CD2 3.96Å; E39-L92 HydrophobicContact CB-CD2 3.74Å; A41-L92 HydrophobicContact CB-CD1 4.16Å; F90-L92 PolarHBondContact O-N 3.2Å; L92-T94 HydrophobicContact CD2-CG2 4.23Å; L92-T94 HydrophobicContact CG-CG2 3.96Å
93V94.8Very high92.3Very high32 Ų3234 Ų3419%0.19419%0.185CC..  trans-107.4128.4173.7-650000110V74 D91 L143 K154V74-V93 HydrophobicContact CG2-CG1 4.17Å; D91-V93 PolarHBondContact O-N 2.93Å; V93-L143 HydrophobicContact CG2-CB 4.13Å; V93-L143 HydrophobicContact CG2-CD1 3.66Å; V93-K154 HydrophobicContact CG1-CD 3.61Å
94T94.1Very high92.2Very high79 Ų7930.3 Ų30.349%0.48518%0.182SC..  trans-119-1.6-169.359.70000114.3L92 A145 K147L92-T94 HydrophobicContact CD2-CG2 4.23Å; L92-T94 HydrophobicContact CG-CG2 3.96Å; T94-A145 PolarHBondContact N-O 3.28Å; T94-A145 VanDerWaalsContact N-O 3.1Å; T94-K147 WeakPolarHBondContact O-CE 3.07Å
95G92Very high92.2Very high13 Ų1333.3 Ų33.313%0.13419%0.191CC..SBendtrans-76.7-19.3178.300000114.5L144 S146G95-L144 VanDerWaalsContact CA-O 3.3Å; G95-L144 WeakPolarHBondContact CA-O 3.36Å; G95-L144 PolarHBondContact N-O 3.22Å; G95-S146 WeakPolarHBondContact CA-O 3.44Å
96G91.7Very high91.9Very high38 Ų3838.3 Ų38.339%0.39222%0.216SC..EExtended strand (participates in β ladder)trans82.2-161.3-174.200000112.7L143 L144G96-L143 CarbonylContact O-C 3.55Å; G96-L143 VanDerWaalsContact O-CA 3.28Å; G96-L143 WeakPolarHBondContact O-CA 3.43Å; G96-L144 PolarHBondContact O-N 3.29Å
97E92.1Very high91.8Very high37 Ų3742 Ų4217%0.17323%0.23CC..EExtended strand (participates in β ladder)trans-76134178-60.4170119.200110.7F99 E100 D101 L143 R298 K299E97-F99 PolarHBondContact O-N 2.91Å; E97-F99 VanDerWaalsContact O-N 3.14Å; E97-E100 HydrophobicContact CB-CG 3.92Å; E97-E100 PolarHBondContact O-N 2.89Å; E97-E100 WeakPolarHBondContact OE2-CG 3.22Å; E97-D101 PolarHBondContact O-N 3.33Å; E97-L143 HydrophobicContact CG-CD2 4.15Å; E97-R298 IonicContact OE1-CZ 3.5Å; E97-R298 VanDerWaalsContact OE1-CZ 3.28Å; E97-R298 IonicContact OE1-NH1 2.68Å; E97-R298 PolarHBondContact OE1-NH1 2.9Å; E97-R298 IonicContact OE1-NH2 3.67Å; E97-R298 PolarHBondContact OE1-NH2 3.44Å; E97-R298 IonicContact OE2-CZ 2.64Å; E97-R298 IonicContact OE2-NH2 3.59Å; E97-R298 PolarHBondContact OE2-NH2 3.47Å; E97-K299 WeakPolarHBondContact OE2-CE 3.43Å; E97-K299 IonicContact OE2-NZ 3.52Å; E97-K299 PolarHBondContact OE2-NZ 3.35Å
98L93.9Very high91.8Very high0 Ų041.2 Ų41.20%023%0.226CC..Hα-helixtrans-50.2-41.9178.9168.562.5000112.7E100 D101 I102 C116 I120 L142 L144 V153L98-E100 VanDerWaalsContact C-N 3.27Å; L98-E100 PolarHBondContact O-N 3.35Å; L98-D101 PolarHBondContact O-N 3.27Å; L98-I102 HydrophobicContact CD1-CD1 3.98Å; L98-I102 HydrophobicContact CD1-CG1 4.24Å; L98-I102 HydrophobicContact CG-CD1 3.99Å; L98-I102 WeakPolarHBondContact O-CG1 3.45Å; L98-I102 PolarHBondContact O-N 2.84Å; L98-I102 VanDerWaalsContact O-N 3.11Å; L98-C116 HydrophobicContact CD2-CB 4.21Å; L98-I120 HydrophobicContact CD2-CD1 4.35Å; L98-L142 HydrophobicContact CB-CB 4.3Å; L98-L142 WeakPolarHBondContact CB-O 3.43Å; L98-L142 HydrophobicContact CD2-CB 4.47Å; L98-L142 PolarHBondContact N-O 2.86Å; L98-L144 HydrophobicContact CB-CG 4.49Å; L98-L144 HydrophobicContact CD1-CD2 4.09Å; L98-L144 HydrophobicContact CD1-CG 4.43Å; L98-V153 HydrophobicContact CD1-CG2 4.16Å; L98-V153 HydrophobicContact CD2-CG1 4.17Å; L98-V153 HydrophobicContact CD2-CG2 4.15Å
99F91.4Very high91.8Very high0 Ų041.3 Ų41.30%023%0.227CC..Hα-helixtrans-68.2-24.3-176.9-79.9-95000113.5E97 V103 P139 L142 I203 I206 L207 L291 N295E97-F99 PolarHBondContact O-N 2.91Å; E97-F99 VanDerWaalsContact O-N 3.14Å; F99-V103 WeakPolarHBondContact O-CG2 3.44Å; F99-P139 HydrophobicContact CB-CB 4.47Å; F99-P139 HydrophobicContact CD2-CB 3.48Å; F99-P139 VanDerWaalsContact CD2-CB 3.48Å; F99-P139 HydrophobicContact CD2-CG 3.98Å; F99-P139 HydrophobicContact CE1-CG 4.34Å; F99-P139 HydrophobicContact CE2-CB 3.77Å; F99-P139 HydrophobicContact CE2-CG 3.78Å; F99-P139 HydrophobicContact CG-CB 3.89Å; F99-P139 HydrophobicContact CG-CG 4.33Å; F99-P139 HydrophobicContact CZ-CB 4.4Å; F99-P139 HydrophobicContact CZ-CG 3.97Å; F99-L142 HydrophobicContact CE2-CD1 4.09Å; F99-I203 HydrophobicContact CE2-CG2 4.43Å; F99-I203 HydrophobicContact CZ-CG2 4.15Å; F99-I206 HydrophobicContact CD1-CG2 4.49Å; F99-I206 HydrophobicContact CE1-CB 4.26Å; F99-I206 HydrophobicContact CE1-CG2 3.75Å; F99-L207 HydrophobicContact CE1-CD2 3.88Å; F99-L207 HydrophobicContact CE1-CG 4.32Å; F99-L207 HydrophobicContact CE2-CD2 4.29Å; F99-L207 HydrophobicContact CZ-CD2 3.7Å; F99-L207 HydrophobicContact CZ-CG 3.97Å; F99-L291 HydrophobicContact CD1-CD1 3.46Å; F99-L291 VanDerWaalsContact CD1-CD1 3.46Å; F99-L291 HydrophobicContact CD1-CD2 3.94Å; F99-L291 HydrophobicContact CD1-CG 4.11Å; F99-L291 HydrophobicContact CE1-CD1 3.85Å; F99-N295 VanDerWaalsContact C-ND2 3.34Å; F99-N295 PolarHBondContact O-ND2 2.82Å
100E88.1Confident91.9Very high63 Ų6341.3 Ų41.329%0.29423%0.227SC..Hα-helixtrans-80.5-38.8176.2-57.2-73.9130.800110.9E97 L98 V103 A104 N295 R298 K299E97-E100 HydrophobicContact CB-CG 3.92Å; E97-E100 PolarHBondContact O-N 2.89Å; E97-E100 WeakPolarHBondContact OE2-CG 3.22Å; L98-E100 VanDerWaalsContact C-N 3.27Å; L98-E100 PolarHBondContact O-N 3.35Å; E100-V103 PolarHBondContact O-N 3.37Å; E100-A104 PolarHBondContact O-N 3.31Å; E100-N295 WeakPolarHBondContact OE1-CB 3.18Å; E100-N295 PolarHBondContact OE1-ND2 3.41Å; E100-R298 IonicContact OE1-NH2 2.83Å; E100-K299 VanDerWaalsContact CD-CE 3.46Å; E100-K299 WeakPolarHBondContact OE1-CE 3.49Å; E100-K299 IonicContact OE1-NZ 3.48Å; E100-K299 PolarHBondContact OE1-NZ 3.31Å; E100-K299 IonicContact OE2-NZ 3.53Å; E100-K299 PolarHBondContact OE2-NZ 3.1Å
101D91.2Very high91.9Very high46 Ų4640.6 Ų40.625%0.24623%0.225CC..Hα-helixtrans-61-45.7174.417683000111.4E97 L98 V103 A104 R105 L144E97-D101 PolarHBondContact O-N 3.33Å; L98-D101 PolarHBondContact O-N 3.27Å; D101-V103 PolarHBondContact O-N 3.4Å; D101-A104 CarbonylContact O-C 3.58Å; D101-A104 WeakPolarHBondContact O-CA 3.39Å; D101-A104 WeakPolarHBondContact O-CB 3.41Å; D101-A104 PolarHBondContact O-N 2.83Å; D101-R105 WeakPolarHBondContact O-CG 3.3Å; D101-R105 PolarHBondContact O-N 3.45Å; D101-R105 IonicContact OD2-CZ 2.85Å; D101-R105 IonicContact OD2-NE 3.86Å; D101-R105 PolarHBondContact OD2-NE 3.45Å; D101-R105 IonicContact OD2-NH2 3.59Å; D101-R105 PolarHBondContact OD2-NH2 3.33Å; D101-L144 HydrophobicContact CB-CD1 3.32Å; D101-L144 VanDerWaalsContact CG-CD1 3.42Å
102I89.4Confident91.9Very high0 Ų040.7 Ų40.70%023%0.226CC..Hα-helixtrans-54.7-40.3175.4-67.4165.5000111.5L98 A104 R105 Y108 L207 L291L98-I102 HydrophobicContact CD1-CD1 3.98Å; L98-I102 HydrophobicContact CD1-CG1 4.24Å; L98-I102 HydrophobicContact CG-CD1 3.99Å; L98-I102 WeakPolarHBondContact O-CG1 3.45Å; L98-I102 PolarHBondContact O-N 2.84Å; L98-I102 VanDerWaalsContact O-N 3.11Å; I102-A104 PolarHBondContact O-N 3.4Å; I102-R105 PolarHBondContact O-N 3.21Å; I102-Y108 HydrophobicContact CB-CE2 4.39Å; I102-Y108 HydrophobicContact CD1-CE2 4.01Å; I102-Y108 HydrophobicContact CG1-CD2 4.37Å; I102-Y108 HydrophobicContact CG1-CE2 3.84Å; I102-Y108 HydrophobicContact CG2-CD1 3.93Å; I102-Y108 HydrophobicContact CG2-CD2 3.74Å; I102-Y108 HydrophobicContact CG2-CE1 3.85Å; I102-Y108 HydrophobicContact CG2-CE2 3.67Å; I102-Y108 HydrophobicContact CG2-CG 3.87Å; I102-L207 HydrophobicContact CD1-CD2 3.5Å; I102-L291 HydrophobicContact CB-CD2 3.91Å; I102-L291 HydrophobicContact CG2-CD2 3.55Å
103V86.9Confident92Very high21 Ų2139 Ų3913%0.12722%0.217CC..Hα-helixtrans-70-19.1179.4170.30000113.5F99 E100 D101 L291 R292F99-V103 WeakPolarHBondContact O-CG2 3.44Å; E100-V103 PolarHBondContact O-N 3.37Å; D101-V103 PolarHBondContact O-N 3.4Å; V103-L291 HydrophobicContact CG2-CB 3.87Å; V103-L291 HydrophobicContact CG2-CD2 3.94Å; V103-L291 HydrophobicContact CG2-CG 3.86Å; V103-R292 HydrophobicContact CG1-CB 3.66Å; V103-R292 HydrophobicContact CG1-CG 3.72Å; V103-R292 HydrophobicContact CG2-CB 4.29Å; V103-R292 PolarHBondContact O-NH2 3.21Å; V103-R292 VanDerWaalsContact O-NH2 3.07Å
104A86.3Confident92.2Very high84 Ų8437.5 Ų37.569%0.69421%0.208SC*.Hα-helixtrans-96.6-6.1177.800000113.9E100 D101 I102E100-A104 PolarHBondContact O-N 3.31Å; D101-A104 CarbonylContact O-C 3.58Å; D101-A104 WeakPolarHBondContact O-CA 3.39Å; D101-A104 WeakPolarHBondContact O-CB 3.41Å; D101-A104 PolarHBondContact O-N 2.83Å; I102-A104 PolarHBondContact O-N 3.4Å
105R86.4Confident92.3Very high68 Ų6837.5 Ų37.526%0.25720%0.202SC..  trans-77.1137.3176.2-66.2175.9-170-165.45.9111.1D101 I102 Y107 D112D101-R105 WeakPolarHBondContact O-CG 3.3Å; D101-R105 PolarHBondContact O-N 3.45Å; D101-R105 IonicContact OD2-CZ 2.85Å; D101-R105 IonicContact OD2-NE 3.86Å; D101-R105 PolarHBondContact OD2-NE 3.45Å; D101-R105 IonicContact OD2-NH2 3.59Å; D101-R105 PolarHBondContact OD2-NH2 3.33Å; I102-R105 PolarHBondContact O-N 3.21Å; R105-Y107 VanDerWaalsContact C-N 3.28Å; R105-Y107 WeakPolarHBondContact CB-O 3.37Å; R105-D112 IonicContact NH1-OD1 3.58Å
106E85.6Confident92.6Very high185 Ų18537 Ų3786%0.86420%0.197SC*.SBendtrans-68-29.2169.1-178.6179.1-157.600112.2H283E106-H283 PolarHBondContact O-NE2 3.33Å
107Y89.2Confident92.9Very high103 Ų10335.2 Ų35.240%0.40418%0.178SC..  trans-133.7135.9179.4178.1-82.6000110.6R105 S109 M281 H283R105-Y107 VanDerWaalsContact C-N 3.28Å; R105-Y107 WeakPolarHBondContact CB-O 3.37Å; Y107-S109 WeakPolarHBondContact OH-CB 3.39Å; Y107-M281 PolarHBondContact OH-O 3.28Å; Y107-H283 HydrophobicContact CD2-CB 3.75Å; Y107-H283 AromaticContact CD2-CG 3.96Å; Y107-H283 HydrophobicContact CE2-CB 3.7Å
108Y94.5Very high93.2Very high1 Ų134.1 Ų34.10%0.00418%0.175CC..  trans-151.1135.9177.7-173.4-112.1000110.3I102 D112 A113 L207 H283 R284 T287 V288I102-Y108 HydrophobicContact CB-CE2 4.39Å; I102-Y108 HydrophobicContact CD1-CE2 4.01Å; I102-Y108 HydrophobicContact CG1-CD2 4.37Å; I102-Y108 HydrophobicContact CG1-CE2 3.84Å; I102-Y108 HydrophobicContact CG2-CD1 3.93Å; I102-Y108 HydrophobicContact CG2-CD2 3.74Å; I102-Y108 HydrophobicContact CG2-CE1 3.85Å; I102-Y108 HydrophobicContact CG2-CE2 3.67Å; I102-Y108 HydrophobicContact CG2-CG 3.87Å; Y108-D112 HydrophobicContact CD2-CB 3.55Å; Y108-D112 HydrophobicContact CE2-CB 3.53Å; Y108-A113 WeakPolarHBondContact OH-CB 3.49Å; Y108-L207 VanDerWaalsContact CE1-O 3.3Å; Y108-L207 WeakPolarHBondContact CE1-O 3.3Å; Y108-L207 PolarHBondContact OH-O 3.48Å; Y108-H283 PolarHBondContact N-ND1 2.67Å; Y108-H283 VanDerWaalsContact N-ND1 3.14Å; Y108-H283 WeakPolarHBondContact O-CA 3.48Å; Y108-H283 PolarHBondContact O-ND1 3.2Å; Y108-R284 PolarHBondContact O-N 3.15Å; Y108-T287 HydrophobicContact CD1-CG2 4.39Å; Y108-T287 HydrophobicContact CE1-CG2 4.16Å; Y108-V288 HydrophobicContact CD1-CG2 4.34Å; Y108-V288 HydrophobicContact CG-CG2 4.47Å
109S96.4Very high93.5Very high2 Ų234.8 Ų34.81%0.01418%0.178CC..  trans-140.1174.4-170.567.80000112.6Y107 A111 D112 A113Y107-S109 WeakPolarHBondContact OH-CB 3.39Å; S109-A111 PolarHBondContact O-N 2.96Å; S109-A111 PolarHBondContact OG-N 3.15Å; S109-D112 WeakPolarHBondContact CB-OD2 3.47Å; S109-D112 PolarHBondContact N-OD2 3.24Å; S109-D112 PolarHBondContact O-N 3.02Å; S109-D112 PolarHBondContact OG-N 3.16Å; S109-D112 PolarHBondContact OG-OD2 3.23Å; S109-A113 PolarHBondContact O-N 3.3Å; S109-A113 VanDerWaalsContact O-N 3.15Å
110E98.1Very high93.8Very high0 Ų034.9 Ų34.90%018%0.178CC..Hα-helixtrans-63.4-33169.5-77.3-173-151.500112.1D112 A113 S114 L208 V241 T242 W271 A279 S280E110-D112 VanDerWaalsContact C-N 3.3Å; E110-D112 PolarHBondContact O-N 2.98Å; E110-A113 PolarHBondContact O-N 3.02Å; E110-S114 VanDerWaalsContact O-CB 3.28Å; E110-S114 WeakPolarHBondContact O-CB 3.25Å; E110-S114 PolarHBondContact O-N 3.14Å; E110-L208 HydrophobicContact CG-CD2 3.99Å; E110-V241 VanDerWaalsContact OE1-CA 3.27Å; E110-V241 WeakPolarHBondContact OE1-CA 3.46Å; E110-T242 PolarHBondContact OE1-N 3.15Å; E110-T242 WeakPolarHBondContact OE2-CB 3.44Å; E110-T242 WeakPolarHBondContact OE2-CG2 3.32Å; E110-T242 PolarHBondContact OE2-OG1 3.38Å; E110-W271 HydrophobicContact CB-CZ2 3.88Å; E110-W271 HydrophobicContact CG-CZ2 4.23Å; E110-W271 WeakPolarHBondContact O-CZ2 3.22Å; E110-W271 PolarHBondContact OE2-NE1 3.06Å; E110-A279 HydrophobicContact CB-CB 4.14Å; E110-S280 WeakPolarHBondContact CB-O 3.42Å; E110-S280 PolarHBondContact N-O 2.57Å; E110-S280 VanDerWaalsContact N-O 3.12Å; E110-S280 PolarHBondContact OE2-N 3.23Å
111A97.3Very high94.3Very high9 Ų931.9 Ų31.97%0.07416%0.164CC..Hα-helixtrans-63.5-37.9176.300000111.5S109 S114 H115 R275 A279 S280 M281S109-A111 PolarHBondContact O-N 2.96Å; S109-A111 PolarHBondContact OG-N 3.15Å; A111-S114 PolarHBondContact O-N 3.41Å; A111-H115 WeakPolarHBondContact O-CB 3.42Å; A111-H115 PolarHBondContact O-N 3.37Å; A111-R275 HydrophobicContact CB-CG 3.97Å; A111-R275 WeakPolarHBondContact O-CD 3.38Å; A111-A279 HydrophobicContact CB-CB 4.31Å; A111-S280 PolarHBondContact N-O 3.07Å; A111-M281 HydrophobicContact CB-CE 3.53Å; A111-M281 HydrophobicContact CB-SD 3.49Å; A111-M281 WeakPolarHBondContact CB-SD 3.47Å
112D95.8Very high94.7Very high38 Ų3832.6 Ų32.620%0.20317%0.166CC..Hα-helixtrans-63.5-46.6172.3-64.2-75.1000111.5R105 Y108 S109 E110 S114 H115 C116R105-D112 IonicContact NH1-OD1 3.58Å; Y108-D112 HydrophobicContact CD2-CB 3.55Å; Y108-D112 HydrophobicContact CE2-CB 3.53Å; S109-D112 WeakPolarHBondContact CB-OD2 3.47Å; S109-D112 PolarHBondContact N-OD2 3.24Å; S109-D112 PolarHBondContact O-N 3.02Å; S109-D112 PolarHBondContact OG-N 3.16Å; S109-D112 PolarHBondContact OG-OD2 3.23Å; E110-D112 VanDerWaalsContact C-N 3.3Å; E110-D112 PolarHBondContact O-N 2.98Å; D112-S114 PolarHBondContact O-N 2.77Å; D112-H115 PolarHBondContact O-N 3.13Å; D112-C116 PolarHBondContact O-N 2.87Å; D112-C116 PolarHBondContact O-SG 3.4Å
113A97.4Very high95.1Very high0 Ų032.7 Ų32.70%017%0.167CC..Hα-helixtrans-60.6-42.6176.500000112.5Y108 S109 E110 C116 I117 L207 L208 W271Y108-A113 WeakPolarHBondContact OH-CB 3.49Å; S109-A113 PolarHBondContact O-N 3.3Å; S109-A113 VanDerWaalsContact O-N 3.15Å; E110-A113 PolarHBondContact O-N 3.02Å; A113-C116 PolarHBondContact O-N 3.2Å; A113-I117 PolarHBondContact O-N 3.43Å; A113-L207 HydrophobicContact CB-CB 4.19Å; A113-L208 HydrophobicContact CB-CD2 3.7Å; A113-W271 HydrophobicContact CB-CH2 4.02Å
114S98.4Very high95.7Very high0 Ų031.7 Ų31.70%016%0.161CC..Hα-helixtrans-61.8-41.5174.8167.60000111.7E110 A111 D112 S118 W271 R275E110-S114 VanDerWaalsContact O-CB 3.28Å; E110-S114 WeakPolarHBondContact O-CB 3.25Å; E110-S114 PolarHBondContact O-N 3.14Å; A111-S114 PolarHBondContact O-N 3.41Å; D112-S114 PolarHBondContact O-N 2.77Å; S114-S118 WeakPolarHBondContact O-CB 3.34Å; S114-S118 PolarHBondContact O-N 3.18Å; S114-W271 VanDerWaalsContact CA-CZ3 3.47Å; S114-W271 PolarHBondContact OG-O 3.38Å; S114-R275 WeakPolarHBondContact OG-CB 3.36Å; S114-R275 WeakPolarHBondContact OG-CD 3.44Å; S114-R275 PolarHBondContact OG-NH1 2.96Å
115H97.2Very high96.3Very high79 Ų7929 Ų2937%0.36614%0.135SC..Hα-helixtrans-67.3-37.3175.5-177.848.3000112.6A111 D112 Q119A111-H115 WeakPolarHBondContact O-CB 3.42Å; A111-H115 PolarHBondContact O-N 3.37Å; D112-H115 PolarHBondContact O-N 3.13Å; H115-Q119 PolarHBondContact CE1-NE2 3.3Å; H115-Q119 VanDerWaalsContact CE1-NE2 3.28Å; H115-Q119 PolarHBondContact NE2-NE2 3.05Å; H115-Q119 VanDerWaalsContact NE2-NE2 3.15Å; H115-Q119 PolarHBondContact O-N 3.42Å; H115-Q119 PolarHBondContact O-NE2 3.49Å
116C97.6Very high96.9Very high4 Ų427.7 Ų27.73%0.02713%0.131CC..Hα-helixtrans-65.5-48.8173.6-67.90000111.9L98 D112 A113 S118 Q119 I120 L207L98-C116 HydrophobicContact CD2-CB 4.21Å; D112-C116 PolarHBondContact O-N 2.87Å; D112-C116 PolarHBondContact O-SG 3.4Å; A113-C116 PolarHBondContact O-N 3.2Å; C116-S118 VanDerWaalsContact C-N 3.32Å; C116-S118 PolarHBondContact O-N 3.43Å; C116-Q119 PolarHBondContact O-N 3.01Å; C116-I120 WeakPolarHBondContact O-CG1 3.34Å; C116-I120 PolarHBondContact O-N 3.11Å; C116-L207 HydrophobicContact CB-CD1 4.32Å
117I98.6Very high97.5Very high0 Ų018.9 Ų18.90%09%0.09CC..Hα-helixtrans-68.6-29.8-178.8-154.370.2000112.3A113 I120 L121 I203 L204 L207 W271 V272A113-I117 PolarHBondContact O-N 3.43Å; I117-I120 HydrophobicContact CD1-CB 4.3Å; I117-I120 HydrophobicContact CD1-CD1 4.09Å; I117-I120 HydrophobicContact CD1-CG2 4.37Å; I117-I120 PolarHBondContact O-N 2.81Å; I117-L121 HydrophobicContact CG1-CD1 4.13Å; I117-L121 HydrophobicContact CG1-CG 4.23Å; I117-L121 HydrophobicContact CG2-CD1 4.43Å; I117-L121 WeakPolarHBondContact O-CB 3.44Å; I117-L121 VanDerWaalsContact O-CG 3.25Å; I117-L121 WeakPolarHBondContact O-CG 3.4Å; I117-L121 PolarHBondContact O-N 3.45Å; I117-I203 HydrophobicContact CD1-CG2 4.32Å; I117-L204 HydrophobicContact CB-CD1 4.28Å; I117-L204 HydrophobicContact CD1-CB 4.16Å; I117-L204 HydrophobicContact CG1-CB 4.38Å; I117-L204 HydrophobicContact CG1-CD1 4.41Å; I117-L204 HydrophobicContact CG2-CD1 4.28Å; I117-L207 HydrophobicContact CD1-CD1 4.5Å; I117-W271 HydrophobicContact CG2-CZ3 3.88Å; I117-V272 HydrophobicContact CG2-CG2 4.21Å
118S98.6Very high97.9Very high13 Ų1314.7 Ų14.79%0.0917%0.074CC..Hα-helixtrans-54.6-54.1171.6-164.70000111S114 C116 I120 L121 E122S114-S118 WeakPolarHBondContact O-CB 3.34Å; S114-S118 PolarHBondContact O-N 3.18Å; C116-S118 VanDerWaalsContact C-N 3.32Å; C116-S118 PolarHBondContact O-N 3.43Å; S118-I120 VanDerWaalsContact C-N 3.31Å; S118-I120 PolarHBondContact O-N 2.86Å; S118-L121 CarbonylContact O-C 3.59Å; S118-L121 PolarHBondContact O-N 2.88Å; S118-L121 VanDerWaalsContact O-N 3.15Å; S118-E122 VanDerWaalsContact C-OE1 3.22Å; S118-E122 WeakPolarHBondContact CB-OE1 3.41Å; S118-E122 WeakPolarHBondContact O-CB 3.35Å; S118-E122 VanDerWaalsContact O-CD 3.3Å; S118-E122 VanDerWaalsContact O-CG 3.25Å; S118-E122 WeakPolarHBondContact O-CG 3.41Å; S118-E122 PolarHBondContact O-N 3.43Å; S118-E122 PolarHBondContact OG-OE1 3.08Å
119Q98.6Very high98.1Very high15 Ų1520.7 Ų20.77%0.0710%0.102CC..Hα-helixtrans-64.1-34.3-179.6-70.7179.972.100113.2N72 H115 C116 S123 A152 V153N72-Q119 PolarHBondContact ND2-OE1 3.23Å; H115-Q119 PolarHBondContact CE1-NE2 3.3Å; H115-Q119 VanDerWaalsContact CE1-NE2 3.28Å; H115-Q119 PolarHBondContact NE2-NE2 3.05Å; H115-Q119 VanDerWaalsContact NE2-NE2 3.15Å; H115-Q119 PolarHBondContact O-N 3.42Å; H115-Q119 PolarHBondContact O-NE2 3.49Å; C116-Q119 PolarHBondContact O-N 3.01Å; Q119-S123 PolarHBondContact O-N 3.33Å; Q119-S123 VanDerWaalsContact O-N 3.16Å; Q119-A152 VanDerWaalsContact OE1-CA 3.25Å; Q119-V153 HydrophobicContact CB-CB 4.04Å; Q119-V153 HydrophobicContact CB-CG2 4.39Å
120I98.8Very high98.2Very high1 Ų123.6 Ų23.61%0.00512%0.115CC..Hα-helixtrans-65.6-50.7173.4-64.6165.3000109.4L98 C116 I117 S118 E122 S123 V124 L142 V153 I203L98-I120 HydrophobicContact CD2-CD1 4.35Å; C116-I120 WeakPolarHBondContact O-CG1 3.34Å; C116-I120 PolarHBondContact O-N 3.11Å; I117-I120 HydrophobicContact CD1-CB 4.3Å; I117-I120 HydrophobicContact CD1-CD1 4.09Å; I117-I120 HydrophobicContact CD1-CG2 4.37Å; I117-I120 PolarHBondContact O-N 2.81Å; S118-I120 VanDerWaalsContact C-N 3.31Å; S118-I120 PolarHBondContact O-N 2.86Å; I120-E122 VanDerWaalsContact C-N 3.33Å; I120-E122 PolarHBondContact O-N 3.44Å; I120-S123 PolarHBondContact O-N 3.47Å; I120-S123 VanDerWaalsContact O-N 3.15Å; I120-S123 PolarHBondContact O-OG 3.03Å; I120-V124 HydrophobicContact CG2-CG2 4.36Å; I120-V124 WeakPolarHBondContact O-CG2 3.41Å; I120-V124 PolarHBondContact O-N 3.29Å; I120-L142 HydrophobicContact CD1-CD1 3.65Å; I120-L142 HydrophobicContact CD1-CD2 4.13Å; I120-L142 HydrophobicContact CD1-CG 4.49Å; I120-L142 HydrophobicContact CG1-CD1 4.33Å; I120-L142 HydrophobicContact CG1-CD2 3.86Å; I120-L142 HydrophobicContact CG2-CD2 4.44Å; I120-V153 HydrophobicContact CG1-CG1 4.08Å; I120-I203 HydrophobicContact CD1-CG2 4.22Å
121L98.9Very high98.2Very high0 Ų026 Ų260%013%0.128CC..Hα-helixtrans-64.2-34.1178.8-71.2168000113I117 S118 V124 N125 C200 M252 A263 A266 L267I117-L121 HydrophobicContact CG1-CD1 4.13Å; I117-L121 HydrophobicContact CG1-CG 4.23Å; I117-L121 HydrophobicContact CG2-CD1 4.43Å; I117-L121 WeakPolarHBondContact O-CB 3.44Å; I117-L121 VanDerWaalsContact O-CG 3.25Å; I117-L121 WeakPolarHBondContact O-CG 3.4Å; I117-L121 PolarHBondContact O-N 3.45Å; S118-L121 CarbonylContact O-C 3.59Å; S118-L121 PolarHBondContact O-N 2.88Å; S118-L121 VanDerWaalsContact O-N 3.15Å; L121-V124 PolarHBondContact O-N 3.11Å; L121-N125 WeakPolarHBondContact O-CB 3.23Å; L121-N125 PolarHBondContact O-N 3.1Å; L121-C200 HydrophobicContact CD2-CB 4.43Å; L121-M252 HydrophobicContact CD1-CE 3.88Å; L121-M252 HydrophobicContact CD2-CE 3.9Å; L121-M252 HydrophobicContact CG-CE 4.38Å; L121-A263 HydrophobicContact CD2-CB 4.46Å; L121-A266 HydrophobicContact CD1-CB 3.74Å; L121-A266 HydrophobicContact CD2-CB 3.98Å; L121-A266 HydrophobicContact CG-CB 4.49Å; L121-L267 HydrophobicContact CB-CD1 4.49Å; L121-L267 HydrophobicContact CB-CD2 3.56Å; L121-L267 HydrophobicContact CB-CG 3.83Å; L121-L267 HydrophobicContact CD1-CD2 4.46Å
122E98.8Very high98.2Very high61 Ų6125.5 Ų25.529%0.28513%0.125SC..Hα-helixtrans-59.9-47.7171.5-73.8150.9-141.300110.4S118 I120 H126 L267S118-E122 VanDerWaalsContact C-OE1 3.22Å; S118-E122 WeakPolarHBondContact CB-OE1 3.41Å; S118-E122 WeakPolarHBondContact O-CB 3.35Å; S118-E122 VanDerWaalsContact O-CD 3.3Å; S118-E122 VanDerWaalsContact O-CG 3.25Å; S118-E122 WeakPolarHBondContact O-CG 3.41Å; S118-E122 PolarHBondContact O-N 3.43Å; S118-E122 PolarHBondContact OG-OE1 3.08Å; I120-E122 VanDerWaalsContact C-N 3.33Å; I120-E122 PolarHBondContact O-N 3.44Å; E122-H126 WeakPolarHBondContact O-CB 3.43Å; E122-H126 PolarHBondContact O-N 3.03Å; E122-L267 HydrophobicContact CG-CD1 4.4Å; E122-L267 HydrophobicContact CG-CD2 3.88Å
123S98.7Very high98.3Very high2 Ų223.7 Ų23.71%0.01412%0.115CC..Hα-helixtrans-64.5-41175.576.10000113N72 Q119 I120 H126 I127 L155N72-S123 WeakPolarHBondContact O-CB 3.35Å; Q119-S123 PolarHBondContact O-N 3.33Å; Q119-S123 VanDerWaalsContact O-N 3.16Å; I120-S123 PolarHBondContact O-N 3.47Å; I120-S123 VanDerWaalsContact O-N 3.15Å; I120-S123 PolarHBondContact O-OG 3.03Å; S123-H126 PolarHBondContact O-N 2.94Å; S123-I127 WeakPolarHBondContact O-CG2 3.41Å; S123-I127 PolarHBondContact O-N 2.99Å; S123-I127 VanDerWaalsContact O-N 3.1Å; S123-L155 WeakPolarHBondContact OG-CD2 3.27Å
124V98.8Very high98.4Very high0 Ų023.7 Ų23.70%012%0.115CC..Hα-helixtrans-69.1-41.7179.7173.90000111.1I120 L121 H126 I127 H128 L137 D196 I197 A263I120-V124 HydrophobicContact CG2-CG2 4.36Å; I120-V124 WeakPolarHBondContact O-CG2 3.41Å; I120-V124 PolarHBondContact O-N 3.29Å; L121-V124 PolarHBondContact O-N 3.11Å; V124-H126 VanDerWaalsContact C-N 3.34Å; V124-H126 PolarHBondContact O-N 3.44Å; V124-I127 WeakPolarHBondContact O-CG1 3.48Å; V124-I127 PolarHBondContact O-N 3.16Å; V124-H128 VanDerWaalsContact CG1-CE1 3.42Å; V124-H128 WeakPolarHBondContact CG1-CE1 2.84Å; V124-H128 WeakPolarHBondContact O-CB 3.45Å; V124-H128 PolarHBondContact O-CD2 3.19Å; V124-H128 VanDerWaalsContact O-CG 3.23Å; V124-H128 PolarHBondContact O-N 3.34Å; V124-L137 HydrophobicContact CG2-CD1 3.7Å; V124-L137 HydrophobicContact CG2-CD2 4.24Å; V124-D196 HydrophobicContact CG1-CB 4.09Å; V124-I197 HydrophobicContact CG1-CD1 3.98Å; V124-A263 HydrophobicContact CG1-CB 4.18Å
125N98.8Very high98.3Very high28 Ų2825.1 Ų25.115%0.1512%0.12CC..Hα-helixtrans-61.1-43.1173.8-174.271.8000111.3L121 I127 H128 Q129 A263 E264 L267L121-N125 WeakPolarHBondContact O-CB 3.23Å; L121-N125 PolarHBondContact O-N 3.1Å; N125-I127 PolarHBondContact O-N 3.38Å; N125-H128 PolarHBondContact O-N 2.82Å; N125-Q129 PolarHBondContact ND2-NE2 3.3Å; N125-Q129 VanDerWaalsContact ND2-NE2 3.13Å; N125-Q129 WeakPolarHBondContact O-CB 3.32Å; N125-Q129 VanDerWaalsContact O-CG 3.29Å; N125-Q129 WeakPolarHBondContact O-CG 3.35Å; N125-Q129 PolarHBondContact O-N 2.83Å; N125-A263 HydrophobicContact CB-CB 3.72Å; N125-E264 WeakPolarHBondContact OD1-CB 3.49Å; N125-E264 PolarHBondContact OD1-N 3.48Å; N125-L267 HydrophobicContact CB-CD1 4.04Å
126H98.7Very high98.3Very high40 Ų4022 Ų2219%0.18511%0.106CC..Hα-helixtrans-60.7-44.5177-177.292.9000112.2K69 H70 E122 S123 V124 Q129 H130K69-H126 PolarHBondContact N-NE2 3.39Å; K69-H126 VanDerWaalsContact N-NE2 3.17Å; K69-H126 PolarHBondContact O-CE1 3.19Å; H70-H126 HydrophobicContact CB-CB 4.36Å; H70-H126 AromaticContact CD2-CG 3.61Å; H70-H126 AromaticContact CD2-ND1 3.47Å; H70-H126 PolarHBondContact CD2-ND1 3.01Å; H70-H126 AromaticContact CG-CG 3.85Å; E122-H126 WeakPolarHBondContact O-CB 3.43Å; E122-H126 PolarHBondContact O-N 3.03Å; S123-H126 PolarHBondContact O-N 2.94Å; V124-H126 VanDerWaalsContact C-N 3.34Å; V124-H126 PolarHBondContact O-N 3.44Å; H126-Q129 PolarHBondContact O-N 2.94Å; H126-H130 AromaticContact CD2-CE1 3.99Å; H126-H130 AromaticContact CD2-ND1 3.84Å; H126-H130 AromaticContact CE1-CE1 3.38Å; H126-H130 PolarHBondContact CE1-CE1 2.85Å; H126-H130 AromaticContact CE1-NE2 3.97Å; H126-H130 AromaticContact ND1-CE1 3.99Å; H126-H130 AromaticContact NE2-CE1 3.11Å; H126-H130 PolarHBondContact NE2-CE1 3.24Å; H126-H130 AromaticContact NE2-ND1 3.41Å; H126-H130 PolarHBondContact NE2-ND1 2.9Å; H126-H130 AromaticContact NE2-NE2 3.5Å; H126-H130 PolarHBondContact O-N 3.4Å; H126-H130 PolarHBondContact O-ND1 2.89Å
127I98.5Very high98.4Very high0 Ų021.8 Ų21.80%011%0.105CC..Hα-helixtrans-69.4-36.6177.268174.4000112L68 I73 S123 V124 N125 Q129 H130 D131 I132 H134 L155 F158L68-I127 HydrophobicContact CD1-CG2 3.59Å; L68-I127 HydrophobicContact CD2-CB 4.3Å; L68-I127 HydrophobicContact CD2-CG2 3.76Å; L68-I127 HydrophobicContact CG-CG2 4.29Å; I73-I127 HydrophobicContact CD1-CG2 3.62Å; S123-I127 WeakPolarHBondContact O-CG2 3.41Å; S123-I127 PolarHBondContact O-N 2.99Å; S123-I127 VanDerWaalsContact O-N 3.1Å; V124-I127 WeakPolarHBondContact O-CG1 3.48Å; V124-I127 PolarHBondContact O-N 3.16Å; N125-I127 PolarHBondContact O-N 3.38Å; I127-Q129 VanDerWaalsContact C-N 3.31Å; I127-Q129 PolarHBondContact O-N 2.8Å; I127-H130 CarbonylContact O-C 3.49Å; I127-H130 WeakPolarHBondContact O-CA 3.47Å; I127-H130 PolarHBondContact O-N 2.93Å; I127-D131 PolarHBondContact O-N 2.92Å; I127-I132 CarbonylContact C-O 3.57Å; I127-I132 HydrophobicContact CB-CB 4.16Å; I127-I132 HydrophobicContact CB-CG2 4.15Å; I127-I132 PolarHBondContact O-N 3.37Å; I127-H134 HydrophobicContact CD1-CB 3.83Å; I127-L155 HydrophobicContact CD1-CD2 4.43Å; I127-F158 HydrophobicContact CD1-CE1 4.38Å; I127-F158 HydrophobicContact CG2-CE1 4.01Å; I127-F158 HydrophobicContact CG2-CZ 4.3Å
128H98.5Very high98.2Very high16 Ų1623.2 Ų23.27%0.07411%0.111CC..Hα-helixtrans-65.9-30.9176.3-73-175.9000112.9V124 N125 H130 D131 I132 K193 D196V124-H128 VanDerWaalsContact CG1-CE1 3.42Å; V124-H128 WeakPolarHBondContact CG1-CE1 2.84Å; V124-H128 WeakPolarHBondContact O-CB 3.45Å; V124-H128 PolarHBondContact O-CD2 3.19Å; V124-H128 VanDerWaalsContact O-CG 3.23Å; V124-H128 PolarHBondContact O-N 3.34Å; N125-H128 PolarHBondContact O-N 2.82Å; H128-H130 VanDerWaalsContact C-N 3.28Å; H128-D131 PolarHBondContact O-N 2.72Å; H128-I132 PolarHBondContact CD2-O 3.15Å; H128-K193 HydrophobicContact CB-CD 4.06Å; H128-K193 HydrophobicContact CB-CG 4.33Å; H128-K193 PolarHBondContact CE1-O 3.2Å; H128-K193 PolarHBondContact NE2-O 3.45Å; H128-K193 WeakPolarHBondContact O-CE 3.4Å; H128-K193 PolarHBondContact O-NZ 2.96Å; H128-D196 IonicContact CD2-OD2 2.9Å; H128-D196 IonicContact CE1-OD2 3.85Å; H128-D196 IonicContact NE2-OD2 3.75Å; H128-D196 PolarHBondContact NE2-OD2 2.9Å
129Q97.9Very high98Very high126 Ų12622.6 Ų22.659%0.58911%0.107SC*.Hα-helixtrans-72.2-18.8171.6-74.7174.6-17.100113.6N125 H126 I127N125-Q129 PolarHBondContact ND2-NE2 3.3Å; N125-Q129 VanDerWaalsContact ND2-NE2 3.13Å; N125-Q129 WeakPolarHBondContact O-CB 3.32Å; N125-Q129 VanDerWaalsContact O-CG 3.29Å; N125-Q129 WeakPolarHBondContact O-CG 3.35Å; N125-Q129 PolarHBondContact O-N 2.83Å; H126-Q129 PolarHBondContact O-N 2.94Å; I127-Q129 VanDerWaalsContact C-N 3.31Å; I127-Q129 PolarHBondContact O-N 2.8Å
130H97.8Very high97.6Very high63 Ų6324.6 Ų24.629%0.29212%0.116SC..THydrogen-bonded Turntrans-101.119.5173.8-6775.8000112L67 L68 H126 I127 H128 I132L67-H130 HydrophobicContact CD2-CB 4.11Å; L68-H130 HydrophobicContact CD2-CB 4.17Å; H126-H130 AromaticContact CD2-CE1 3.99Å; H126-H130 AromaticContact CD2-ND1 3.84Å; H126-H130 AromaticContact CE1-CE1 3.38Å; H126-H130 PolarHBondContact CE1-CE1 2.85Å; H126-H130 AromaticContact CE1-NE2 3.97Å; H126-H130 AromaticContact ND1-CE1 3.99Å; H126-H130 AromaticContact NE2-CE1 3.11Å; H126-H130 PolarHBondContact NE2-CE1 3.24Å; H126-H130 AromaticContact NE2-ND1 3.41Å; H126-H130 PolarHBondContact NE2-ND1 2.9Å; H126-H130 AromaticContact NE2-NE2 3.5Å; H126-H130 PolarHBondContact O-N 3.4Å; H126-H130 PolarHBondContact O-ND1 2.89Å; I127-H130 CarbonylContact O-C 3.49Å; I127-H130 WeakPolarHBondContact O-CA 3.47Å; I127-H130 PolarHBondContact O-N 2.93Å; H128-H130 VanDerWaalsContact C-N 3.28Å; H130-I132 HydrophobicContact CB-CD1 4.07Å; H130-I132 PolarHBondContact O-N 2.86Å; H130-I132 VanDerWaalsContact O-N 3.17Å
131D97.8Very high97.4Very high50 Ų5025 Ų2527%0.26712%0.119SC..THydrogen-bonded Turntrans50.436.2-176.2-70.4-22.1000113.9I127 H128 E163 V164 G166 K193I127-D131 PolarHBondContact O-N 2.92Å; H128-D131 PolarHBondContact O-N 2.72Å; D131-E163 CarbonylContact O-C 3.58Å; D131-E163 WeakPolarHBondContact O-CA 3.39Å; D131-V164 HydrophobicContact CB-CG2 3.96Å; D131-V164 WeakPolarHBondContact O-CG2 3.47Å; D131-V164 PolarHBondContact O-N 3.22Å; D131-G166 VanDerWaalsContact CG-N 3.31Å; D131-G166 WeakPolarHBondContact OD1-CA 3.19Å; D131-G166 WeakPolarHBondContact OD2-CA 3.43Å; D131-G166 PolarHBondContact OD2-N 2.77Å; D131-K193 VanDerWaalsContact OD1-CE 3.32Å; D131-K193 WeakPolarHBondContact OD1-CE 3.33Å; D131-K193 IonicContact OD1-NZ 3.18Å; D131-K193 PolarHBondContact OD1-NZ 2.9Å
132I98.2Very high97.3Very high0 Ų025.1 Ų25.10%012%0.119CC..EExtended strand (participates in β ladder)trans-109.5133.7175.9-71.6152.7000110I64 L67 L68 I127 H128 H130 A161 I162 E163I64-I132 HydrophobicContact CB-CD1 4.45Å; I64-I132 HydrophobicContact CD1-CG1 4.45Å; I64-I132 HydrophobicContact CD1-CG2 4.43Å; I64-I132 HydrophobicContact CG1-CD1 4.24Å; I64-I132 HydrophobicContact CG1-CG1 4.24Å; I64-I132 HydrophobicContact CG2-CD1 3.96Å; I64-I132 HydrophobicContact CG2-CG1 4.39Å; I64-I132 HydrophobicContact CG2-CG2 4.02Å; L67-I132 HydrophobicContact CD2-CD1 3.99Å; L68-I132 HydrophobicContact CD1-CD1 4.26Å; L68-I132 HydrophobicContact CD2-CD1 3.71Å; L68-I132 HydrophobicContact CG-CD1 4Å; I127-I132 CarbonylContact C-O 3.57Å; I127-I132 HydrophobicContact CB-CB 4.16Å; I127-I132 HydrophobicContact CB-CG2 4.15Å; I127-I132 PolarHBondContact O-N 3.37Å; H128-I132 PolarHBondContact CD2-O 3.15Å; H130-I132 HydrophobicContact CB-CD1 4.07Å; H130-I132 PolarHBondContact O-N 2.86Å; H130-I132 VanDerWaalsContact O-N 3.17Å; I132-A161 HydrophobicContact CG2-CB 4.31Å; I132-I162 VanDerWaalsContact CA-O 3.32Å; I132-I162 WeakPolarHBondContact CA-O 3.34Å; I132-E163 HydrophobicContact CG1-CG 4.37Å
133V98.3Very high97.2Very high0 Ų023.9 Ų23.90%011%0.114CC..EExtended strand (participates in β ladder)trans-115.8129.2174.1-171.20000108.7R135 A161 I162 V164 K193 V195 D196V133-R135 HydrophobicContact CB-CG 4.32Å; V133-R135 HydrophobicContact CG1-CG 3.79Å; V133-A161 VanDerWaalsContact O-CA 3.26Å; V133-A161 WeakPolarHBondContact O-CA 3.31Å; V133-I162 HydrophobicContact CB-CD1 4.28Å; V133-I162 HydrophobicContact CB-CG1 3.89Å; V133-I162 HydrophobicContact CG2-CG1 4.5Å; V133-I162 PolarHBondContact N-O 3.46Å; V133-I162 PolarHBondContact O-N 2.9Å; V133-V164 HydrophobicContact CG2-CG1 3.68Å; V133-V164 HydrophobicContact CG2-CG2 4.19Å; V133-K193 HydrophobicContact CG2-CG 3.96Å; V133-V195 HydrophobicContact CG1-CG2 3.53Å; V133-D196 WeakPolarHBondContact CA-OD2 3.48Å; V133-D196 WeakPolarHBondContact CG1-OD2 3.43Å
134H98.5Very high97.1Very high0 Ų024 Ų240%011%0.114CC..  trans-79.2-42.3-172.7-168.7-53000113I127 D136 L137 A156 D157 F158 D196I127-H134 HydrophobicContact CD1-CB 3.83Å; H134-D136 PolarHBondContact ND1-N 3.28Å; H134-D136 PolarHBondContact O-N 3.13Å; H134-D136 VanDerWaalsContact O-N 3.12Å; H134-L137 HydrophobicContact CB-CG 4.31Å; H134-A156 PolarHBondContact NE2-O 2.96Å; H134-D157 PolarHBondContact CE1-O 2.82Å; H134-D157 PolarHBondContact NE2-O 3.14Å; H134-F158 AromaticContact CD2-CE1 3.77Å; H134-D196 PolarHBondContact N-OD1 3.02Å; H134-D196 PolarHBondContact N-OD2 3.42Å
135R97.8Very high96.9Very high30 Ų3025.3 Ų25.311%0.11313%0.125CC..SBendtrans62.57.3177.9-47.3-170-62.3168.9-1.2117.1V133 L160 I162 F172 G176 Y191 V195 D196V133-R135 HydrophobicContact CB-CG 4.32Å; V133-R135 HydrophobicContact CG1-CG 3.79Å; R135-L160 VanDerWaalsContact CZ-O 3.26Å; R135-L160 PolarHBondContact NE-O 3.02Å; R135-L160 PolarHBondContact NH2-O 3.42Å; R135-I162 HydrophobicContact CG-CG1 4.37Å; R135-I162 VanDerWaalsContact CZ-CG2 3.48Å; R135-F172 PolarHBondContact NH1-O 3.16Å; R135-G176 VanDerWaalsContact O-CA 3.31Å; R135-G176 WeakPolarHBondContact O-CA 3.37Å; R135-Y191 HydrophobicContact CG-CE2 4.42Å; R135-Y191 PolarHBondContact NH1-OH 3.22Å; R135-V195 HydrophobicContact CG-CG2 4.26Å; R135-D196 PolarHBondContact N-OD1 3.26Å
136D97.1Very high96.6Very high12 Ų1225 Ų256%0.06413%0.126CC..  trans-152.443.6178.8-158.437.3000111.6H134 K138 N141 L160 T177H134-D136 PolarHBondContact ND1-N 3.28Å; H134-D136 PolarHBondContact O-N 3.13Å; H134-D136 VanDerWaalsContact O-N 3.12Å; D136-K138 PolarHBondContact O-N 3.43Å; D136-K138 IonicContact OD1-NZ 2.76Å; D136-K138 WeakPolarHBondContact OD2-CE 3.25Å; D136-K138 IonicContact OD2-NZ 2.77Å; D136-K138 PolarHBondContact OD2-NZ 2.92Å; D136-N141 PolarHBondContact O-ND2 2.99Å; D136-L160 HydrophobicContact CB-CB 4.33Å; D136-L160 HydrophobicContact CB-CD1 3.88Å; D136-T177 WeakPolarHBondContact OD1-CB 3.42Å; D136-T177 PolarHBondContact OD1-N 3.26Å; D136-T177 PolarHBondContact OD1-OG1 3.26Å
137L98.3Very high96.2Very high1 Ų131.3 Ų31.31%0.00515%0.153CC..  trans-68.5122.8169.8-77.8166.2000109.7V124 H134 L155 D196 A199 I203V124-L137 HydrophobicContact CG2-CD1 3.7Å; V124-L137 HydrophobicContact CG2-CD2 4.24Å; H134-L137 HydrophobicContact CB-CG 4.31Å; L137-L155 HydrophobicContact CD2-CD1 3.4Å; L137-L155 VanDerWaalsContact CD2-CD1 3.4Å; L137-L155 HydrophobicContact CD2-CD2 4.14Å; L137-L155 HydrophobicContact CD2-CG 4.43Å; L137-D196 HydrophobicContact CD1-CB 3.58Å; L137-D196 WeakPolarHBondContact CD1-O 3.36Å; L137-A199 HydrophobicContact CB-CB 3.72Å; L137-I203 HydrophobicContact CB-CD1 4.04Å
138K95.6Very high95.6Very high30 Ų3038.1 Ų38.113%0.1319%0.186CC..SBendtrans-165.1163.7-175.363.9-170.5-172.1-158.20110.5D136 E140 N141 T177 Y180D136-K138 PolarHBondContact O-N 3.43Å; D136-K138 IonicContact OD1-NZ 2.76Å; D136-K138 WeakPolarHBondContact OD2-CE 3.25Å; D136-K138 IonicContact OD2-NZ 2.77Å; D136-K138 PolarHBondContact OD2-NZ 2.92Å; K138-E140 VanDerWaalsContact C-N 3.27Å; K138-E140 HydrophobicContact CD-CB 4.34Å; K138-E140 HydrophobicContact CD-CG 4.49Å; K138-E140 WeakPolarHBondContact CD-OE2 3.2Å; K138-E140 HydrophobicContact CG-CB 4.08Å; K138-E140 WeakPolarHBondContact CG-OE2 3.27Å; K138-E140 PolarHBondContact O-N 3.33Å; K138-N141 HydrophobicContact CG-CB 4.29Å; K138-N141 PolarHBondContact O-N 3.21Å; K138-T177 HydrophobicContact CD-CG2 4.42Å; K138-T177 VanDerWaalsContact CD-OG1 3.3Å; K138-T177 WeakPolarHBondContact CD-OG1 3.39Å; K138-T177 PolarHBondContact NZ-OG1 3.32Å; K138-Y180 HydrophobicContact CB-CD1 4.48Å; K138-Y180 HydrophobicContact CB-CD2 3.98Å; K138-Y180 HydrophobicContact CB-CE1 4.44Å; K138-Y180 HydrophobicContact CB-CE2 3.92Å; K138-Y180 HydrophobicContact CB-CG 4.28Å
139P92.9Very high94.7Very high0 Ų048 Ų480%023%0.229CC..G310 helixtrans-49.3-38.2179.2-33.439.3000116F99 N141 L142 Y180 F294F99-P139 HydrophobicContact CB-CB 4.47Å; F99-P139 HydrophobicContact CD2-CB 3.48Å; F99-P139 VanDerWaalsContact CD2-CB 3.48Å; F99-P139 HydrophobicContact CD2-CG 3.98Å; F99-P139 HydrophobicContact CE1-CG 4.34Å; F99-P139 HydrophobicContact CE2-CB 3.77Å; F99-P139 HydrophobicContact CE2-CG 3.78Å; F99-P139 HydrophobicContact CG-CB 3.89Å; F99-P139 HydrophobicContact CG-CG 4.33Å; F99-P139 HydrophobicContact CZ-CB 4.4Å; F99-P139 HydrophobicContact CZ-CG 3.97Å; P139-N141 PolarHBondContact O-N 2.67Å; P139-L142 PolarHBondContact O-N 2.82Å; P139-Y180 VanDerWaalsContact CD-CZ 3.44Å; P139-Y180 WeakPolarHBondContact CD-OH 3.45Å; P139-Y180 WeakPolarHBondContact CG-OH 3.31Å; P139-F294 HydrophobicContact CG-CE1 4.08Å; P139-F294 HydrophobicContact CG-CZ 4.28Å
140E90.6Very high94Very high57 Ų5745.2 Ų45.227%0.26623%0.234SC..G310 helixtrans-57-34.8177.3-67.866.3-15800112.8K138 L142 R298K138-E140 VanDerWaalsContact C-N 3.27Å; K138-E140 HydrophobicContact CD-CB 4.34Å; K138-E140 HydrophobicContact CD-CG 4.49Å; K138-E140 WeakPolarHBondContact CD-OE2 3.2Å; K138-E140 HydrophobicContact CG-CB 4.08Å; K138-E140 WeakPolarHBondContact CG-OE2 3.27Å; K138-E140 PolarHBondContact O-N 3.33Å; E140-L142 VanDerWaalsContact C-N 3.34Å; E140-R298 WeakPolarHBondContact OE1-CD 3.39Å; E140-R298 WeakPolarHBondContact OE1-CG 3.45Å; E140-R298 IonicContact OE1-CZ 3.44Å; E140-R298 IonicContact OE1-NE 2.73Å; E140-R298 IonicContact OE1-NH1 3.62Å; E140-R298 PolarHBondContact OE1-NH1 3.24Å
141N95.4Very high93.8Very high10 Ų1043.1 Ų43.15%0.05323%0.228CC..G310 helixtrans-95.58-170.4-69.7-4.6000112.2D136 K138 P139 A156D136-N141 PolarHBondContact O-ND2 2.99Å; K138-N141 HydrophobicContact CG-CB 4.29Å; K138-N141 PolarHBondContact O-N 3.21Å; P139-N141 PolarHBondContact O-N 2.67Å; N141-A156 WeakPolarHBondContact CB-O 3.24Å; N141-A156 PolarHBondContact O-N 3.06Å
142L97.4Very high93.7Very high1 Ų142.3 Ų42.31%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-114.894.8-179.3-65.6177.2000109.7L98 F99 I120 P139 E140 V153 L155 I203L98-L142 HydrophobicContact CB-CB 4.3Å; L98-L142 WeakPolarHBondContact CB-O 3.43Å; L98-L142 HydrophobicContact CD2-CB 4.47Å; L98-L142 PolarHBondContact N-O 2.86Å; F99-L142 HydrophobicContact CE2-CD1 4.09Å; I120-L142 HydrophobicContact CD1-CD1 3.65Å; I120-L142 HydrophobicContact CD1-CD2 4.13Å; I120-L142 HydrophobicContact CD1-CG 4.49Å; I120-L142 HydrophobicContact CG1-CD1 4.33Å; I120-L142 HydrophobicContact CG1-CD2 3.86Å; I120-L142 HydrophobicContact CG2-CD2 4.44Å; P139-L142 PolarHBondContact O-N 2.82Å; E140-L142 VanDerWaalsContact C-N 3.34Å; L142-V153 HydrophobicContact CD2-CG1 4.41Å; L142-L155 HydrophobicContact CD2-CD1 4.25Å; L142-I203 HydrophobicContact CD1-CD1 4.16Å; L142-I203 HydrophobicContact CD1-CG2 3.99Å
143L95.9Very high93.7Very high35 Ų3542.5 Ų42.518%0.18323%0.229CC..EExtended strand (participates in β ladder)trans-103.2158.3-173.9-54.7-178.6000111.2V93 G96 E97 V153 K154 A156V93-L143 HydrophobicContact CG2-CB 4.13Å; V93-L143 HydrophobicContact CG2-CD1 3.66Å; G96-L143 CarbonylContact O-C 3.55Å; G96-L143 VanDerWaalsContact O-CA 3.28Å; G96-L143 WeakPolarHBondContact O-CA 3.43Å; E97-L143 HydrophobicContact CG-CD2 4.15Å; L143-V153 CarbonylContact O-C 3.44Å; L143-V153 WeakPolarHBondContact O-CA 3.38Å; L143-K154 PolarHBondContact N-O 3.27Å; L143-K154 PolarHBondContact O-N 2.98Å; L143-A156 HydrophobicContact CD1-CB 3.75Å; L143-A156 HydrophobicContact CG-CB 4.16Å
144L96.3Very high93.7Very high4 Ų443.7 Ų43.72%0.02123%0.234CC..EExtended strand (participates in β ladder)trans-101.8134.6171.5-72.3173.4000110.6G95 G96 L98 D101 S146 V153G95-L144 VanDerWaalsContact CA-O 3.3Å; G95-L144 WeakPolarHBondContact CA-O 3.36Å; G95-L144 PolarHBondContact N-O 3.22Å; G96-L144 PolarHBondContact O-N 3.29Å; L98-L144 HydrophobicContact CB-CG 4.49Å; L98-L144 HydrophobicContact CD1-CD2 4.09Å; L98-L144 HydrophobicContact CD1-CG 4.43Å; D101-L144 HydrophobicContact CB-CD1 3.32Å; D101-L144 VanDerWaalsContact CG-CD1 3.42Å; L144-S146 VanDerWaalsContact C-N 3.25Å; L144-S146 PolarHBondContact O-N 3.29Å; L144-V153 HydrophobicContact CD2-CG2 4.04Å
145A94.8Very high93.7Very high28 Ų2843.8 Ų43.823%0.23124%0.235CC..SBendtrans-56.6-38.5-177.900000112.9T94 A152 K154T94-A145 PolarHBondContact N-O 3.28Å; T94-A145 VanDerWaalsContact N-O 3.1Å; A145-A152 PolarHBondContact N-O 2.98Å; A145-K154 HydrophobicContact CB-CD 4.11Å
146S93.6Very high93.6Very high23 Ų2343 Ų4316%0.16123%0.234CC..  trans-154.1177.217671.30000110.8G95 L144 M148 A151G95-S146 WeakPolarHBondContact CA-O 3.44Å; L144-S146 VanDerWaalsContact C-N 3.25Å; L144-S146 PolarHBondContact O-N 3.29Å; S146-M148 VanDerWaalsContact C-N 3.26Å; S146-M148 PolarHBondContact O-N 2.95Å; S146-M148 PolarHBondContact OG-N 3.09Å; S146-A151 WeakPolarHBondContact O-CB 3.49Å
147K88.7Confident93.3Very high172 Ų17245.9 Ų45.975%0.74825%0.25SC*.SBendtrans-82.86.6172.7-60.7-175.6178.7-178.90114.1T94T94-K147 WeakPolarHBondContact O-CE 3.07Å
148M87.3Confident93.1Very high143 Ų14346 Ų4670%0.70425%0.25SS*.SBendtrans-73.1143.9178.8-62.1-169.3-65.500110.8S146 G150 A151S146-M148 VanDerWaalsContact C-N 3.26Å; S146-M148 PolarHBondContact O-N 2.95Å; S146-M148 PolarHBondContact OG-N 3.09Å; M148-G150 PolarHBondContact O-N 3.41Å; M148-A151 VanDerWaalsContact O-CB 3.26Å; M148-A151 WeakPolarHBondContact O-CB 3.48Å; M148-A151 PolarHBondContact O-N 2.99Å
149K79.6Confident92.8Very high222 Ų22245.6 Ų45.697%0.96526%0.255SS*.THydrogen-bonded Turntrans-58.7124.8175.2-170.6176.8-176.4175.50109.6
150G82.8Confident92.7Very high69 Ų6948.4 Ų48.471%0.71127%0.27SS*.THydrogen-bonded Turntrans81.116.6-175.200000114.9M148M148-G150 PolarHBondContact O-N 3.41Å
151A92.9Very high93Very high19 Ų1945.9 Ų45.916%0.15726%0.258CS..PPolyproline II helixtrans-56.7140170.600000111.8S146 M148S146-A151 WeakPolarHBondContact O-CB 3.49Å; M148-A151 VanDerWaalsContact O-CB 3.26Å; M148-A151 WeakPolarHBondContact O-CB 3.48Å; M148-A151 PolarHBondContact O-N 2.99Å
152A96.4Very high93Very high32 Ų3245.8 Ų45.826%0.26426%0.258SS..PPolyproline II helixtrans-67141.4-17900000112.3Q119 A145Q119-A152 VanDerWaalsContact OE1-CA 3.25Å; A145-A152 PolarHBondContact N-O 2.98Å
153V97.9Very high92.9Very high4 Ų449.3 Ų49.32%0.02427%0.274CS..EExtended strand (participates in β ladder)trans-73132.5166.8-175.30000108.4N72 L98 Q119 I120 L142 L143 L144N72-V153 VanDerWaalsContact CA-O 3.29Å; N72-V153 WeakPolarHBondContact CA-O 3.2Å; N72-V153 VanDerWaalsContact CB-O 3.24Å; N72-V153 WeakPolarHBondContact CB-O 3.21Å; N72-V153 PolarHBondContact ND2-O 3.15Å; L98-V153 HydrophobicContact CD1-CG2 4.16Å; L98-V153 HydrophobicContact CD2-CG1 4.17Å; L98-V153 HydrophobicContact CD2-CG2 4.15Å; Q119-V153 HydrophobicContact CB-CB 4.04Å; Q119-V153 HydrophobicContact CB-CG2 4.39Å; I120-V153 HydrophobicContact CG1-CG1 4.08Å; L142-V153 HydrophobicContact CD2-CG1 4.41Å; L143-V153 CarbonylContact O-C 3.44Å; L143-V153 WeakPolarHBondContact O-CA 3.38Å; L144-V153 HydrophobicContact CD2-CG2 4.04Å
154K98.3Very high92.9Very high26 Ų2648.3 Ų48.311%0.11327%0.269CS..EExtended strand (participates in β ladder)trans-125.1123.7178.4-81.8178.9167.9-84.10110.6P71 N72 I73 V74 D91 V93 L143 A145P71-K154 VanDerWaalsContact O-CE 3.3Å; P71-K154 WeakPolarHBondContact O-CE 3.17Å; P71-K154 PolarHBondContact O-NZ 3.07Å; N72-K154 WeakPolarHBondContact O-CA 3.49Å; I73-K154 PolarHBondContact O-NZ 2.93Å; V74-K154 HydrophobicContact CG2-CB 3.86Å; V74-K154 HydrophobicContact CG2-CD 4.43Å; D91-K154 IonicContact OD2-NZ 2.72Å; D91-K154 PolarHBondContact OD2-NZ 3.21Å; V93-K154 HydrophobicContact CG1-CD 3.61Å; L143-K154 PolarHBondContact N-O 3.27Å; L143-K154 PolarHBondContact O-N 2.98Å; A145-K154 HydrophobicContact CB-CD 4.11Å
155L98.3Very high92.7Very high1 Ų154.6 Ų54.61%0.00530%0.299CS..EExtended strand (participates in β ladder)trans-72.9132.7171.2-179.656.5000110.8N72 I73 V74 S123 I127 L137 L142 F158N72-L155 PolarHBondContact O-N 3.33Å; I73-L155 HydrophobicContact CG1-CB 4.43Å; V74-L155 PolarHBondContact N-O 3.01Å; S123-L155 WeakPolarHBondContact OG-CD2 3.27Å; I127-L155 HydrophobicContact CD1-CD2 4.43Å; L137-L155 HydrophobicContact CD2-CD1 3.4Å; L137-L155 VanDerWaalsContact CD2-CD1 3.4Å; L137-L155 HydrophobicContact CD2-CD2 4.14Å; L137-L155 HydrophobicContact CD2-CG 4.43Å; L142-L155 HydrophobicContact CD2-CD1 4.25Å; L155-F158 HydrophobicContact CD2-CZ 4.17Å; L155-F158 HydrophobicContact CG-CZ 4.16Å
156A94.9Very high92.5Very high13 Ų1354.6 Ų54.611%0.10730%0.301CS..  trans-132166-175.600000112.7V74 H134 N141 L143V74-A156 HydrophobicContact CB-CB 4.43Å; V74-A156 HydrophobicContact CG2-CB 3.81Å; H134-A156 PolarHBondContact NE2-O 2.96Å; N141-A156 WeakPolarHBondContact CB-O 3.24Å; N141-A156 PolarHBondContact O-N 3.06Å; L143-A156 HydrophobicContact CD1-CB 3.75Å; L143-A156 HydrophobicContact CG-CB 4.16Å
157D90.6Very high92.3Very high73 Ų7360.1 Ų60.139%0.3933%0.325SS..  trans58.983.2176.6-163.913.7000117.4K43 H134 G159K43-D157 IonicContact NZ-OD1 2.74Å; H134-D157 PolarHBondContact CE1-O 2.82Å; H134-D157 PolarHBondContact NE2-O 3.14Å; D157-G159 VanDerWaalsContact C-N 3.26Å; D157-G159 PolarHBondContact O-N 3.21Å; D157-G159 PolarHBondContact OD1-N 3.23Å; D157-G159 VanDerWaalsContact OD1-N 3.12Å
158F94.3Very high92.3Very high4 Ų458 Ų582%0.01832%0.317CS..  trans-84.316.3174.1-67-91.7000113.9E61 I64 L68 I73 I127 H134 L155 L160 A161E61-F158 HydrophobicContact CG-CB 4.42Å; I64-F158 HydrophobicContact CG2-CB 4.14Å; I64-F158 HydrophobicContact CG2-CD1 3.91Å; I64-F158 HydrophobicContact CG2-CG 4.13Å; L68-F158 HydrophobicContact CD1-CD1 3.96Å; L68-F158 HydrophobicContact CD1-CE1 3.46Å; L68-F158 VanDerWaalsContact CD1-CE1 3.46Å; L68-F158 HydrophobicContact CD1-CE2 4.26Å; L68-F158 HydrophobicContact CD1-CZ 3.63Å; I73-F158 HydrophobicContact CG2-CE2 3.78Å; I73-F158 HydrophobicContact CG2-CZ 3.93Å; I127-F158 HydrophobicContact CD1-CE1 4.38Å; I127-F158 HydrophobicContact CG2-CE1 4.01Å; I127-F158 HydrophobicContact CG2-CZ 4.3Å; H134-F158 AromaticContact CD2-CE1 3.77Å; L155-F158 HydrophobicContact CD2-CZ 4.17Å; L155-F158 HydrophobicContact CG-CZ 4.16Å; F158-L160 PolarHBondContact O-N 2.94Å; F158-A161 HydrophobicContact CB-CB 3.94Å; F158-A161 HydrophobicContact CD1-CB 3.97Å; F158-A161 HydrophobicContact CG-CB 4.48Å; F158-A161 VanDerWaalsContact O-CB 3.23Å; F158-A161 WeakPolarHBondContact O-CB 3.28Å; F158-A161 PolarHBondContact O-N 3.31Å
159G89.8Confident92.5Very high22 Ų2255.3 Ų55.323%0.22730%0.303CS..THydrogen-bonded Turntrans-61.2-17.7-175.600000115.7D157D157-G159 VanDerWaalsContact C-N 3.26Å; D157-G159 PolarHBondContact O-N 3.21Å; D157-G159 PolarHBondContact OD1-N 3.23Å; D157-G159 VanDerWaalsContact OD1-N 3.12Å
160L91.2Very high93.2Very high59 Ų5946.7 Ų46.731%0.30927%0.273SS..THydrogen-bonded Turntrans-107.41.7172.6-67.8-178.1000114.2R135 D136 F158 A175R135-L160 VanDerWaalsContact CZ-O 3.26Å; R135-L160 PolarHBondContact NE-O 3.02Å; R135-L160 PolarHBondContact NH2-O 3.42Å; D136-L160 HydrophobicContact CB-CB 4.33Å; D136-L160 HydrophobicContact CB-CD1 3.88Å; F158-L160 PolarHBondContact O-N 2.94Å; L160-A175 HydrophobicContact CD2-CB 4.45Å
161A96.2Very high93.8Very high3 Ų348.7 Ų48.73%0.02526%0.26CS..  trans-67157.3-176.700000113.1R60 I64 I132 V133 F158R60-A161 WeakPolarHBondContact CD-O 3.33Å; I64-A161 HydrophobicContact CD1-CB 3.79Å; I64-A161 HydrophobicContact CG2-CB 4.44Å; I132-A161 HydrophobicContact CG2-CB 4.31Å; V133-A161 VanDerWaalsContact O-CA 3.26Å; V133-A161 WeakPolarHBondContact O-CA 3.31Å; F158-A161 HydrophobicContact CB-CB 3.94Å; F158-A161 HydrophobicContact CD1-CB 3.97Å; F158-A161 HydrophobicContact CG-CB 4.48Å; F158-A161 VanDerWaalsContact O-CB 3.23Å; F158-A161 WeakPolarHBondContact O-CB 3.28Å; F158-A161 PolarHBondContact O-N 3.31Å
162I95.4Very high93.8Very high8 Ų851 Ų514%0.04127%0.266CS..EExtended strand (participates in β ladder)trans-136.1153.217753.4168.3000110.5I132 V133 R135 V164 F172 Y191I132-I162 VanDerWaalsContact CA-O 3.32Å; I132-I162 WeakPolarHBondContact CA-O 3.34Å; V133-I162 HydrophobicContact CB-CD1 4.28Å; V133-I162 HydrophobicContact CB-CG1 3.89Å; V133-I162 HydrophobicContact CG2-CG1 4.5Å; V133-I162 PolarHBondContact N-O 3.46Å; V133-I162 PolarHBondContact O-N 2.9Å; R135-I162 HydrophobicContact CG-CG1 4.37Å; R135-I162 VanDerWaalsContact CZ-CG2 3.48Å; I162-V164 HydrophobicContact CD1-CG1 4.04Å; I162-V164 HydrophobicContact CG1-CG1 4.46Å; I162-F172 HydrophobicContact CD1-CB 3.68Å; I162-F172 HydrophobicContact CD1-CD1 3.7Å; I162-F172 HydrophobicContact CD1-CD2 3.36Å; I162-F172 HydrophobicContact CD1-CE1 4.11Å; I162-F172 HydrophobicContact CD1-CE2 3.8Å; I162-F172 HydrophobicContact CD1-CG 3.29Å; I162-F172 HydrophobicContact CD1-CZ 4.15Å; I162-Y191 HydrophobicContact CD1-CE2 4.46Å
163E95.6Very high93.5Very high75 Ų7550.6 Ų50.635%0.3527%0.265SS..EExtended strand (participates in β ladder)trans-89138.2162.6-65.1146.2142.600108.4R63 I64 D131 I132R63-E163 IonicContact CZ-OE1 3.51Å; R63-E163 IonicContact CZ-OE2 3.28Å; R63-E163 IonicContact NE-OE1 2.92Å; R63-E163 PolarHBondContact NE-OE1 2.92Å; R63-E163 IonicContact NE-OE2 3.96Å; R63-E163 IonicContact NH2-OE1 2.91Å; R63-E163 PolarHBondContact NH2-OE1 3.5Å; R63-E163 IonicContact NH2-OE2 2.63Å; R63-E163 PolarHBondContact NH2-OE2 2.86Å; I64-E163 HydrophobicContact CD1-CG 4.32Å; I64-E163 HydrophobicContact CG1-CG 4.25Å; D131-E163 CarbonylContact O-C 3.58Å; D131-E163 WeakPolarHBondContact O-CA 3.39Å; I132-E163 HydrophobicContact CG1-CG 4.37Å
164V95.7Very high93.3Very high14 Ų1455.5 Ų55.59%0.08529%0.286CS..  trans-113.2-176.4170.6-59.60000109.4D131 V133 I162 F172 K193D131-V164 HydrophobicContact CB-CG2 3.96Å; D131-V164 WeakPolarHBondContact O-CG2 3.47Å; D131-V164 PolarHBondContact O-N 3.22Å; V133-V164 HydrophobicContact CG2-CG1 3.68Å; V133-V164 HydrophobicContact CG2-CG2 4.19Å; I162-V164 HydrophobicContact CD1-CG1 4.04Å; I162-V164 HydrophobicContact CG1-CG1 4.46Å; V164-F172 HydrophobicContact CB-CZ 4.45Å; V164-F172 HydrophobicContact CG1-CE2 3.87Å; V164-F172 HydrophobicContact CG1-CZ 3.71Å; V164-K193 HydrophobicContact CG2-CG 4.47Å
165Q92.3Very high92.9Very high137 Ų13755.2 Ų55.264%0.6429%0.289SS*.  trans-122.597.4175.2-67.8-172.5-3.900109.1E167 Q168Q165-E167 PolarHBondContact O-N 3.08Å; Q165-Q168 VanDerWaalsContact O-CB 3.29Å; Q165-Q168 WeakPolarHBondContact O-CB 3.44Å; Q165-Q168 WeakPolarHBondContact O-CG 3.43Å; Q165-Q168 PolarHBondContact O-N 3.37Å
166G91.6Very high92.6Very high27 Ų2756 Ų5628%0.27830%0.298SS..THydrogen-bonded Turntrans52.3-124.3-170.700000111.9D131 K193D131-G166 VanDerWaalsContact CG-N 3.31Å; D131-G166 WeakPolarHBondContact OD1-CA 3.19Å; D131-G166 WeakPolarHBondContact OD2-CA 3.43Å; D131-G166 PolarHBondContact OD2-N 2.77Å; G166-K193 WeakPolarHBondContact O-CE 3.29Å; G166-K193 PolarHBondContact O-NZ 3.17Å
167E88.4Confident92.3Very high140 Ų14057.5 Ų57.565%0.65431%0.305SS*.THydrogen-bonded Turntrans-93.910179.1-58.2-50.8121.200114Q165 Q169 K193Q165-E167 PolarHBondContact O-N 3.08Å; E167-Q169 PolarHBondContact O-N 3.32Å; E167-K193 WeakPolarHBondContact OE1-CD 3.32Å; E167-K193 WeakPolarHBondContact OE1-CE 3.48Å; E167-K193 IonicContact OE1-NZ 3.63Å; E167-K193 PolarHBondContact OE1-NZ 2.91Å
168Q88.8Confident92.3Very high126 Ų12656 Ų5659%0.58930%0.3SS*.  trans-65.1132.8175.9-66.5-175.816.500111.3Q165Q165-Q168 VanDerWaalsContact O-CB 3.29Å; Q165-Q168 WeakPolarHBondContact O-CB 3.44Å; Q165-Q168 WeakPolarHBondContact O-CG 3.43Å; Q165-Q168 PolarHBondContact O-N 3.37Å
169Q91.3Very high92.3Very high87 Ų8756.8 Ų56.841%0.40731%0.309SS..  trans-106.6138.1176.4-61.5-173.115.200110.3E167 P190 Y191E167-Q169 PolarHBondContact O-N 3.32Å; Q169-P190 HydrophobicContact CB-CB 4.17Å; Q169-P190 PolarHBondContact OE1-O 3.41Å; Q169-Y191 WeakPolarHBondContact CA-O 3.38Å
170A94.4Very high92.7Very high42 Ų4257 Ų5735%0.34730%0.303SS..BIsolated β-bridgetrans-144.7169.3178.400000110.8F172 Y191A170-F172 HydrophobicContact CB-CD2 4.36Å; A170-F172 HydrophobicContact CB-CE1 4.2Å; A170-F172 HydrophobicContact CB-CE2 3.79Å; A170-F172 HydrophobicContact CB-CZ 3.69Å; A170-F172 WeakPolarHBondContact O-CD2 3.33Å; A170-F172 PolarHBondContact O-N 3.24Å; A170-Y191 PolarHBondContact N-O 3.36Å; A170-Y191 VanDerWaalsContact N-O 3.13Å; A170-Y191 PolarHBondContact O-N 2.93Å
171W95.6Very high93Very high111 Ų11154.5 Ų54.542%0.4229%0.29SS..  trans-85.492.4174.3179.3-116.1000111G173 F174 K188 Y191W171-G173 PolarHBondContact O-N 2.77Å; W171-F174 HydrophobicContact CH2-CB 4.25Å; W171-F174 HydrophobicContact CZ2-CB 4.29Å; W171-K188 HydrophobicContact CE3-CB 4.5Å; W171-K188 HydrophobicContact CH2-CB 3.91Å; W171-K188 HydrophobicContact CH2-CG 3.97Å; W171-K188 HydrophobicContact CZ2-CB 4.2Å; W171-K188 HydrophobicContact CZ2-CG 4.22Å; W171-K188 VanDerWaalsContact CZ3-CA 3.49Å; W171-K188 HydrophobicContact CZ3-CB 4.08Å; W171-Y191 AromaticContact CE3-CD1 3.93Å; W171-Y191 HydrophobicContact CE3-CD1 3.93Å; W171-Y191 AromaticContact CE3-CE1 3.73Å; W171-Y191 HydrophobicContact CE3-CE1 3.73Å; W171-Y191 AromaticContact CZ3-CD1 3.98Å; W171-Y191 HydrophobicContact CZ3-CD1 3.98Å; W171-Y191 AromaticContact CZ3-CE1 3.67Å; W171-Y191 HydrophobicContact CZ3-CE1 3.67Å
172F92.3Very high93.1Very high67 Ų6754.5 Ų54.529%0.29429%0.289SS..  trans-84.817.4179.1-56.5-81.6000114.1R135 I162 V164 A170 Y191R135-F172 PolarHBondContact NH1-O 3.16Å; I162-F172 HydrophobicContact CD1-CB 3.68Å; I162-F172 HydrophobicContact CD1-CD1 3.7Å; I162-F172 HydrophobicContact CD1-CD2 3.36Å; I162-F172 HydrophobicContact CD1-CE1 4.11Å; I162-F172 HydrophobicContact CD1-CE2 3.8Å; I162-F172 HydrophobicContact CD1-CG 3.29Å; I162-F172 HydrophobicContact CD1-CZ 4.15Å; V164-F172 HydrophobicContact CB-CZ 4.45Å; V164-F172 HydrophobicContact CG1-CE2 3.87Å; V164-F172 HydrophobicContact CG1-CZ 3.71Å; A170-F172 HydrophobicContact CB-CD2 4.36Å; A170-F172 HydrophobicContact CB-CE1 4.2Å; A170-F172 HydrophobicContact CB-CE2 3.79Å; A170-F172 HydrophobicContact CB-CZ 3.69Å; A170-F172 WeakPolarHBondContact O-CD2 3.33Å; A170-F172 PolarHBondContact O-N 3.24Å; F172-Y191 HydrophobicContact CB-CE1 4.49Å; F172-Y191 HydrophobicContact CB-CE2 4.18Å; F172-Y191 HydrophobicContact CD2-CD2 4.3Å; F172-Y191 HydrophobicContact CD2-CE2 4.03Å; F172-Y191 WeakPolarHBondContact CE2-O 3.26Å
173G91.5Very high93.3Very high24 Ų2454.1 Ų54.125%0.24729%0.287CS..  trans81.4170-177.600000114.3W171 Y191W171-G173 PolarHBondContact O-N 2.77Å; G173-Y191 PolarHBondContact O-OH 3.09Å
174F92.3Very high93.4Very high106 Ų10650.6 Ų50.647%0.46527%0.271SS..SBendtrans-83.6113.4177.1-170.8-83.1000110.1W171 L181 V185 L186 Y223W171-F174 HydrophobicContact CH2-CB 4.25Å; W171-F174 HydrophobicContact CZ2-CB 4.29Å; F174-L181 HydrophobicContact CE1-CD1 4.05Å; F174-L181 HydrophobicContact CE2-CD1 4.16Å; F174-L181 HydrophobicContact CZ-CD1 3.52Å; F174-V185 HydrophobicContact CD2-CG1 4.28Å; F174-L186 HydrophobicContact CE2-CD2 3.78Å; F174-L186 HydrophobicContact CZ-CD2 4.09Å; F174-Y223 HydrophobicContact CZ-CE2 4.23Å
175A90.3Very high93.5Very high20 Ų2050.2 Ų50.217%0.16527%0.269CS..  trans-153154.5179.100000110.3L160 L181L160-A175 HydrophobicContact CD2-CB 4.45Å; A175-L181 WeakPolarHBondContact O-CD2 3.22Å
176G91.5Very high93.8Very high19 Ų1944.6 Ų44.620%0.19624%0.243CC..SBendtrans115.4165.9-178.400000113.3R135R135-G176 VanDerWaalsContact O-CA 3.31Å; R135-G176 WeakPolarHBondContact O-CA 3.37Å
177T90.1Very high94Very high43 Ų4348.1 Ų48.126%0.26425%0.248SC..  trans-82.5128.7-176.2-60.20000111.7D136 K138 G179 Y180 L181D136-T177 WeakPolarHBondContact OD1-CB 3.42Å; D136-T177 PolarHBondContact OD1-N 3.26Å; D136-T177 PolarHBondContact OD1-OG1 3.26Å; K138-T177 HydrophobicContact CD-CG2 4.42Å; K138-T177 VanDerWaalsContact CD-OG1 3.3Å; K138-T177 WeakPolarHBondContact CD-OG1 3.39Å; K138-T177 PolarHBondContact NZ-OG1 3.32Å; T177-G179 PolarHBondContact O-N 3.39Å; T177-Y180 HydrophobicContact CG2-CD2 3.89Å; T177-Y180 HydrophobicContact CG2-CE2 4.22Å; T177-Y180 PolarHBondContact O-N 3.25Å; T177-L181 PolarHBondContact O-N 3.2Å
178P89.9Confident94.4Very high42 Ų4248.6 Ų48.627%0.27325%0.248SC..G310 helixtrans-47-42.1-165.3-35.737.1000118.4Y180 L222 Y223 I226P178-Y180 VanDerWaalsContact C-N 3.28Å; P178-Y180 PolarHBondContact O-N 3.49Å; P178-L222 HydrophobicContact CB-CD2 4.18Å; P178-Y223 HydrophobicContact CB-CE1 3.94Å; P178-I226 WeakPolarHBondContact O-CD1 3.38Å
179G93.6Very high94.8Very high20 Ų2045.6 Ų45.621%0.20624%0.236CC..G310 helixtrans-76.5-9.1-179.400000115.3T177T177-G179 PolarHBondContact O-N 3.39Å
180Y98.2Very high95.1Very high28 Ų2844.8 Ų44.811%0.1124%0.238CC..G310 helixtrans-113.9-3.2-179-55-87.8000112.3K138 P139 T177 P178 V202 I203 I206K138-Y180 HydrophobicContact CB-CD1 4.48Å; K138-Y180 HydrophobicContact CB-CD2 3.98Å; K138-Y180 HydrophobicContact CB-CE1 4.44Å; K138-Y180 HydrophobicContact CB-CE2 3.92Å; K138-Y180 HydrophobicContact CB-CG 4.28Å; P139-Y180 VanDerWaalsContact CD-CZ 3.44Å; P139-Y180 WeakPolarHBondContact CD-OH 3.45Å; P139-Y180 WeakPolarHBondContact CG-OH 3.31Å; T177-Y180 HydrophobicContact CG2-CD2 3.89Å; T177-Y180 HydrophobicContact CG2-CE2 4.22Å; T177-Y180 PolarHBondContact O-N 3.25Å; P178-Y180 VanDerWaalsContact C-N 3.28Å; P178-Y180 PolarHBondContact O-N 3.49Å; Y180-V202 HydrophobicContact CD1-CB 3.97Å; Y180-V202 HydrophobicContact CD1-CG1 3.51Å; Y180-V202 HydrophobicContact CE1-CB 4.35Å; Y180-V202 HydrophobicContact CE1-CG1 3.55Å; Y180-V202 HydrophobicContact CG-CG1 4.41Å; Y180-I203 HydrophobicContact CD1-CG1 4.29Å; Y180-I203 HydrophobicContact CE1-CG1 4.06Å; Y180-I206 HydrophobicContact CE1-CD1 3.98Å
181L98.3Very high95.2Very high6 Ų642.9 Ų42.93%0.03122%0.222CC..  trans-63.9140175.1-68.1177.5000110.6F174 A175 T177 V185 L186 W198 Y223 I226F174-L181 HydrophobicContact CE1-CD1 4.05Å; F174-L181 HydrophobicContact CE2-CD1 4.16Å; F174-L181 HydrophobicContact CZ-CD1 3.52Å; A175-L181 WeakPolarHBondContact O-CD2 3.22Å; T177-L181 PolarHBondContact O-N 3.2Å; L181-V185 HydrophobicContact CD2-CG1 4.23Å; L181-L186 HydrophobicContact CB-CD2 4.01Å; L181-L186 HydrophobicContact CB-CG 4.22Å; L181-L186 HydrophobicContact CD1-CD2 3.64Å; L181-L186 HydrophobicContact CG-CD2 4.46Å; L181-W198 PolarHBondContact O-NE1 2.93Å; L181-Y223 HydrophobicContact CD1-CE1 4.01Å; L181-I226 VanDerWaalsContact O-CG2 3.24Å; L181-I226 WeakPolarHBondContact O-CG2 3.2Å
182S98.6Very high95.4Very high2 Ų237.8 Ų37.81%0.01420%0.204CC..  trans-87.6159.7177.669.80000112.8E184 V185 L186 V195S182-E184 VanDerWaalsContact C-N 3.33Å; S182-E184 WeakPolarHBondContact CB-OE1 3.4Å; S182-E184 PolarHBondContact O-N 2.98Å; S182-E184 PolarHBondContact OG-OE1 3.01Å; S182-V185 PolarHBondContact O-N 2.82Å; S182-L186 PolarHBondContact O-N 3.32Å; S182-V195 WeakPolarHBondContact OG-CG1 3.49Å
183P98.7Very high95.7Very high0 Ų035.6 Ų35.60%019%0.194CC..Hα-helixtrans-56.7-42.6-176.4-27.636.4000113.6V185 L186 R187 W198 I226 I255P183-V185 PolarHBondContact O-N 3.31Å; P183-L186 PolarHBondContact O-N 3.03Å; P183-R187 WeakPolarHBondContact O-CG 3.32Å; P183-R187 PolarHBondContact O-N 3.02Å; P183-W198 HydrophobicContact CG-CD2 4.4Å; P183-W198 HydrophobicContact CG-CE3 4.04Å; P183-W198 HydrophobicContact CG-CH2 3.48Å; P183-W198 VanDerWaalsContact CG-CH2 3.48Å; P183-W198 HydrophobicContact CG-CZ2 3.88Å; P183-W198 HydrophobicContact CG-CZ3 3.56Å; P183-I226 HydrophobicContact CG-CG2 4.37Å; P183-I255 HydrophobicContact CB-CG2 4.14Å; P183-I255 HydrophobicContact CG-CG2 4.26Å
184E98.5Very high96Very high2 Ų235.6 Ų35.61%0.00919%0.19CC..Hα-helixtrans-62.1-40.2179.758.7-80.7-178.800112.7S182 L186 R187 K188 D189 V195 P257 R260S182-E184 VanDerWaalsContact C-N 3.33Å; S182-E184 WeakPolarHBondContact CB-OE1 3.4Å; S182-E184 PolarHBondContact O-N 2.98Å; S182-E184 PolarHBondContact OG-OE1 3.01Å; E184-L186 VanDerWaalsContact C-N 3.33Å; E184-L186 PolarHBondContact O-N 3.4Å; E184-R187 PolarHBondContact O-N 3.5Å; E184-K188 PolarHBondContact O-N 3.02Å; E184-D189 HydrophobicContact CB-CB 4.06Å; E184-D189 PolarHBondContact O-N 3Å; E184-V195 HydrophobicContact CG-CG1 4.31Å; E184-P257 HydrophobicContact CB-CG 4.43Å; E184-P257 HydrophobicContact CG-CG 4.31Å; E184-R260 IonicContact OE1-CZ 3.7Å; E184-R260 IonicContact OE1-NH1 3.77Å; E184-R260 PolarHBondContact OE1-NH1 2.88Å; E184-R260 IonicContact OE1-NH2 2.83Å; E184-R260 PolarHBondContact OE1-NH2 3.23Å; E184-R260 IonicContact OE2-CZ 2.9Å; E184-R260 IonicContact OE2-NH1 3.77Å; E184-R260 IonicContact OE2-NH2 3.93Å; E184-R260 PolarHBondContact OE2-NH2 3.18Å
185V98.2Very high96.3Very high5 Ų531 Ų313%0.0317%0.171CC..Hα-helixtrans-64.9-38.2175.1179.90000111.2F174 L181 S182 P183 K188 Y191 V195F174-V185 HydrophobicContact CD2-CG1 4.28Å; L181-V185 HydrophobicContact CD2-CG1 4.23Å; S182-V185 PolarHBondContact O-N 2.82Å; P183-V185 PolarHBondContact O-N 3.31Å; V185-K188 PolarHBondContact O-N 3.27Å; V185-Y191 HydrophobicContact CG2-CD1 3.84Å; V185-Y191 HydrophobicContact CG2-CD2 4.32Å; V185-Y191 HydrophobicContact CG2-CE1 3.96Å; V185-Y191 HydrophobicContact CG2-CE2 4.44Å; V185-Y191 HydrophobicContact CG2-CG 4.01Å; V185-V195 HydrophobicContact CG2-CG1 3.85Å
186L96.8Very high96.7Very high20 Ų2030.1 Ų30.111%0.10516%0.163CC..Hα-helixtrans-73.6-27.4177.5-64.2-175000113.7F174 L181 S182 P183 E184 K188 Y223 I226 K227F174-L186 HydrophobicContact CE2-CD2 3.78Å; F174-L186 HydrophobicContact CZ-CD2 4.09Å; L181-L186 HydrophobicContact CB-CD2 4.01Å; L181-L186 HydrophobicContact CB-CG 4.22Å; L181-L186 HydrophobicContact CD1-CD2 3.64Å; L181-L186 HydrophobicContact CG-CD2 4.46Å; S182-L186 PolarHBondContact O-N 3.32Å; P183-L186 PolarHBondContact O-N 3.03Å; E184-L186 VanDerWaalsContact C-N 3.33Å; E184-L186 PolarHBondContact O-N 3.4Å; L186-K188 VanDerWaalsContact C-N 3.33Å; L186-Y223 HydrophobicContact CD1-CD1 3.77Å; L186-Y223 HydrophobicContact CD1-CG 4.01Å; L186-Y223 HydrophobicContact CD2-CD1 3.66Å; L186-Y223 HydrophobicContact CD2-CD2 4.18Å; L186-Y223 HydrophobicContact CD2-CE1 3.78Å; L186-Y223 HydrophobicContact CD2-CE2 4.3Å; L186-Y223 HydrophobicContact CD2-CG 3.87Å; L186-Y223 HydrophobicContact CG-CD1 4.4Å; L186-I226 HydrophobicContact CD1-CB 3.69Å; L186-I226 HydrophobicContact CD1-CD1 4.18Å; L186-I226 HydrophobicContact CD1-CG2 3.44Å; L186-I226 VanDerWaalsContact CD1-CG2 3.44Å; L186-I226 HydrophobicContact CG-CG2 4.48Å; L186-K227 HydrophobicContact CB-CD 3.96Å; L186-K227 HydrophobicContact CB-CG 3.72Å; L186-K227 HydrophobicContact CD1-CG 4.12Å
187R97.2Very high97.1Very high101 Ų10129.3 Ų29.338%0.38115%0.154SC..Hα-helixtrans-79.5-17.2171.8-70.9-175.6-159.31144.3113.1P183 E184 D189 K227P183-R187 WeakPolarHBondContact O-CG 3.32Å; P183-R187 PolarHBondContact O-N 3.02Å; E184-R187 PolarHBondContact O-N 3.5Å; R187-D189 VanDerWaalsContact C-N 3.33Å; R187-D189 VanDerWaalsContact CB-OD2 3.27Å; R187-D189 WeakPolarHBondContact CB-OD2 3.44Å; R187-D189 WeakPolarHBondContact CD-OD2 3.37Å; R187-K227 HydrophobicContact CG-CD 4.05Å; R187-K227 HydrophobicContact CG-CG 4.3Å; R187-K227 PolarHBondContact NH2-O 3.45Å
188K96.2Very high97.5Very high149 Ų14927.2 Ų27.265%0.64814%0.141SC*.THydrogen-bonded Turntrans70.227.3-170.8-48174-176.7172.70113.5W171 E184 V185 L186W171-K188 HydrophobicContact CE3-CB 4.5Å; W171-K188 HydrophobicContact CH2-CB 3.91Å; W171-K188 HydrophobicContact CH2-CG 3.97Å; W171-K188 HydrophobicContact CZ2-CB 4.2Å; W171-K188 HydrophobicContact CZ2-CG 4.22Å; W171-K188 VanDerWaalsContact CZ3-CA 3.49Å; W171-K188 HydrophobicContact CZ3-CB 4.08Å; E184-K188 PolarHBondContact O-N 3.02Å; V185-K188 PolarHBondContact O-N 3.27Å; L186-K188 VanDerWaalsContact C-N 3.33Å
189D97.1Very high97.9Very high63 Ų6325.4 Ų25.434%0.33713%0.13SC..  trans-71.2155172.3-54.1-34.3000109.4E184 R187E184-D189 HydrophobicContact CB-CB 4.06Å; E184-D189 PolarHBondContact O-N 3Å; R187-D189 VanDerWaalsContact C-N 3.33Å; R187-D189 VanDerWaalsContact CB-OD2 3.27Å; R187-D189 WeakPolarHBondContact CB-OD2 3.44Å; R187-D189 WeakPolarHBondContact CD-OD2 3.37Å
190P97.3Very high98.2Very high71 Ų7124.5 Ų24.546%0.46112%0.12SC..  trans-53.9143.2164.1-23.634.7000110.8Q169Q169-P190 HydrophobicContact CB-CB 4.17Å; Q169-P190 PolarHBondContact OE1-O 3.41Å
191Y98.1Very high98.2Very high2 Ų223.1 Ų23.11%0.00812%0.115CC..BIsolated β-bridgetrans-144.5173-177.967.1-98.9000112.2R135 I162 Q169 A170 W171 F172 G173 V185 V195R135-Y191 HydrophobicContact CG-CE2 4.42Å; R135-Y191 PolarHBondContact NH1-OH 3.22Å; I162-Y191 HydrophobicContact CD1-CE2 4.46Å; Q169-Y191 WeakPolarHBondContact CA-O 3.38Å; A170-Y191 PolarHBondContact N-O 3.36Å; A170-Y191 VanDerWaalsContact N-O 3.13Å; A170-Y191 PolarHBondContact O-N 2.93Å; W171-Y191 AromaticContact CE3-CD1 3.93Å; W171-Y191 HydrophobicContact CE3-CD1 3.93Å; W171-Y191 AromaticContact CE3-CE1 3.73Å; W171-Y191 HydrophobicContact CE3-CE1 3.73Å; W171-Y191 AromaticContact CZ3-CD1 3.98Å; W171-Y191 HydrophobicContact CZ3-CD1 3.98Å; W171-Y191 AromaticContact CZ3-CE1 3.67Å; W171-Y191 HydrophobicContact CZ3-CE1 3.67Å; F172-Y191 HydrophobicContact CB-CE1 4.49Å; F172-Y191 HydrophobicContact CB-CE2 4.18Å; F172-Y191 HydrophobicContact CD2-CD2 4.3Å; F172-Y191 HydrophobicContact CD2-CE2 4.03Å; F172-Y191 WeakPolarHBondContact CE2-O 3.26Å; G173-Y191 PolarHBondContact O-OH 3.09Å; V185-Y191 HydrophobicContact CG2-CD1 3.84Å; V185-Y191 HydrophobicContact CG2-CD2 4.32Å; V185-Y191 HydrophobicContact CG2-CE1 3.96Å; V185-Y191 HydrophobicContact CG2-CE2 4.44Å; V185-Y191 HydrophobicContact CG2-CG 4.01Å; Y191-V195 HydrophobicContact CD2-CG1 3.56Å; Y191-V195 HydrophobicContact CD2-CG2 4.43Å; Y191-V195 HydrophobicContact CE2-CG1 4.38Å; Y191-V195 HydrophobicContact CG-CG1 3.9Å
192G97.8Very high98.2Very high4 Ų422.9 Ų22.94%0.04111%0.114CC..  trans-163.1-144.8179.400000111.2P194 V195G192-P194 VanDerWaalsContact C-N 3.3Å; G192-P194 WeakPolarHBondContact O-CD 3.37Å; G192-P194 VanDerWaalsContact O-N 3.07Å; G192-V195 WeakPolarHBondContact O-CG1 3.44Å; G192-V195 WeakPolarHBondContact O-CG2 3.38Å; G192-V195 PolarHBondContact O-N 3.37Å
193K98.6Very high98.2Very high21 Ų2122.8 Ų22.89%0.09111%0.113CC..THydrogen-bonded Turntrans-43.5-38.9-178.5-61.4169.8-172.4-1780115.7H128 D131 V133 V164 G166 E167 V195 D196H128-K193 HydrophobicContact CB-CD 4.06Å; H128-K193 HydrophobicContact CB-CG 4.33Å; H128-K193 PolarHBondContact CE1-O 3.2Å; H128-K193 PolarHBondContact NE2-O 3.45Å; H128-K193 WeakPolarHBondContact O-CE 3.4Å; H128-K193 PolarHBondContact O-NZ 2.96Å; D131-K193 VanDerWaalsContact OD1-CE 3.32Å; D131-K193 WeakPolarHBondContact OD1-CE 3.33Å; D131-K193 IonicContact OD1-NZ 3.18Å; D131-K193 PolarHBondContact OD1-NZ 2.9Å; V133-K193 HydrophobicContact CG2-CG 3.96Å; V164-K193 HydrophobicContact CG2-CG 4.47Å; G166-K193 WeakPolarHBondContact O-CE 3.29Å; G166-K193 PolarHBondContact O-NZ 3.17Å; E167-K193 WeakPolarHBondContact OE1-CD 3.32Å; E167-K193 WeakPolarHBondContact OE1-CE 3.48Å; E167-K193 IonicContact OE1-NZ 3.63Å; E167-K193 PolarHBondContact OE1-NZ 2.91Å; K193-V195 PolarHBondContact O-N 2.76Å; K193-D196 PolarHBondContact O-N 3.48Å
194P98.8Very high98.2Very high23 Ų2322.8 Ų22.815%0.14911%0.113CC..Hα-helixtrans-60.2-19.1-178.1-28.437.7000116.5G192 D196 I197 W198 P257 R260G192-P194 VanDerWaalsContact C-N 3.3Å; G192-P194 WeakPolarHBondContact O-CD 3.37Å; G192-P194 VanDerWaalsContact O-N 3.07Å; P194-D196 VanDerWaalsContact C-N 3.26Å; P194-D196 PolarHBondContact O-N 2.92Å; P194-I197 PolarHBondContact O-N 3.47Å; P194-W198 PolarHBondContact O-N 2.85Å; P194-P257 HydrophobicContact CB-CB 3.75Å; P194-P257 HydrophobicContact CG-CB 4.17Å; P194-R260 WeakPolarHBondContact O-CD 3.35Å; P194-R260 PolarHBondContact O-NH1 3.18Å
195V98.8Very high98.3Very high10 Ų1022.9 Ų22.96%0.06111%0.113CC..Hα-helixtrans-63.4-35178.6-53.20000111.8V133 R135 S182 E184 V185 Y191 G192 K193 I197 W198 A199V133-V195 HydrophobicContact CG1-CG2 3.53Å; R135-V195 HydrophobicContact CG-CG2 4.26Å; S182-V195 WeakPolarHBondContact OG-CG1 3.49Å; E184-V195 HydrophobicContact CG-CG1 4.31Å; V185-V195 HydrophobicContact CG2-CG1 3.85Å; Y191-V195 HydrophobicContact CD2-CG1 3.56Å; Y191-V195 HydrophobicContact CD2-CG2 4.43Å; Y191-V195 HydrophobicContact CE2-CG1 4.38Å; Y191-V195 HydrophobicContact CG-CG1 3.9Å; G192-V195 WeakPolarHBondContact O-CG1 3.44Å; G192-V195 WeakPolarHBondContact O-CG2 3.38Å; G192-V195 PolarHBondContact O-N 3.37Å; K193-V195 PolarHBondContact O-N 2.76Å; V195-I197 VanDerWaalsContact C-N 3.33Å; V195-I197 PolarHBondContact O-N 2.68Å; V195-W198 PolarHBondContact O-N 2.85Å; V195-A199 PolarHBondContact O-N 2.74Å
196D98.9Very high98.2Very high1 Ų122.6 Ų22.61%0.00511%0.112CC..Hα-helixtrans-69.2-34178.9-70.9-23.3000111V124 H128 V133 H134 R135 L137 K193 P194 A199 C200V124-D196 HydrophobicContact CG1-CB 4.09Å; H128-D196 IonicContact CD2-OD2 2.9Å; H128-D196 IonicContact CE1-OD2 3.85Å; H128-D196 IonicContact NE2-OD2 3.75Å; H128-D196 PolarHBondContact NE2-OD2 2.9Å; V133-D196 WeakPolarHBondContact CA-OD2 3.48Å; V133-D196 WeakPolarHBondContact CG1-OD2 3.43Å; H134-D196 PolarHBondContact N-OD1 3.02Å; H134-D196 PolarHBondContact N-OD2 3.42Å; R135-D196 PolarHBondContact N-OD1 3.26Å; L137-D196 HydrophobicContact CD1-CB 3.58Å; L137-D196 WeakPolarHBondContact CD1-O 3.36Å; K193-D196 PolarHBondContact O-N 3.48Å; P194-D196 VanDerWaalsContact C-N 3.26Å; P194-D196 PolarHBondContact O-N 2.92Å; D196-A199 PolarHBondContact O-N 3.48Å; D196-C200 PolarHBondContact O-N 2.64Å; D196-C200 PolarHBondContact O-SG 2.75Å; D196-C200 VanDerWaalsContact O-SG 3.4Å
197I98.9Very high98.3Very high2 Ų221.7 Ų21.71%0.0111%0.107CC..Hα-helixtrans-70.7-34.3178.5-46.5-58000111.8V124 P194 V195 A199 C200 G201 M252 R260 I261 A263V124-I197 HydrophobicContact CG1-CD1 3.98Å; P194-I197 PolarHBondContact O-N 3.47Å; V195-I197 VanDerWaalsContact C-N 3.33Å; V195-I197 PolarHBondContact O-N 2.68Å; I197-A199 VanDerWaalsContact C-N 3.33Å; I197-C200 WeakPolarHBondContact O-CB 3.33Å; I197-C200 PolarHBondContact O-N 2.79Å; I197-G201 PolarHBondContact O-N 2.83Å; I197-M252 HydrophobicContact CG2-CB 4.21Å; I197-M252 HydrophobicContact CG2-CG 3.86Å; I197-R260 HydrophobicContact CB-CG 4.49Å; I197-R260 HydrophobicContact CG2-CG 4.39Å; I197-I261 HydrophobicContact CG2-CG2 3.89Å; I197-I261 WeakPolarHBondContact CG2-O 3.48Å; I197-A263 HydrophobicContact CD1-CB 3.76Å
198W98.9Very high98.3Very high0 Ų016.9 Ų16.90%09%0.089CC..Hα-helixtrans-59.7-47.1171.3177.7-87.2000110.8L181 P183 P194 V195 C200 G201 V202 F214 I226 L253L181-W198 PolarHBondContact O-NE1 2.93Å; P183-W198 HydrophobicContact CG-CD2 4.4Å; P183-W198 HydrophobicContact CG-CE3 4.04Å; P183-W198 HydrophobicContact CG-CH2 3.48Å; P183-W198 VanDerWaalsContact CG-CH2 3.48Å; P183-W198 HydrophobicContact CG-CZ2 3.88Å; P183-W198 HydrophobicContact CG-CZ3 3.56Å; P194-W198 PolarHBondContact O-N 2.85Å; V195-W198 PolarHBondContact O-N 2.85Å; W198-C200 VanDerWaalsContact C-N 3.34Å; W198-C200 PolarHBondContact O-N 2.68Å; W198-G201 WeakPolarHBondContact O-CA 3.4Å; W198-G201 PolarHBondContact O-N 3.2Å; W198-V202 PolarHBondContact O-N 3Å; W198-F214 AromaticContact CE2-CE2 3.98Å; W198-F214 HydrophobicContact CH2-CE2 4.13Å; W198-F214 AromaticContact CH2-CZ 3.8Å; W198-F214 HydrophobicContact CH2-CZ 3.8Å; W198-F214 HydrophobicContact CZ2-CD2 4.31Å; W198-F214 AromaticContact CZ2-CE2 3.35Å; W198-F214 HydrophobicContact CZ2-CE2 3.35Å; W198-F214 AromaticContact CZ2-CZ 3.47Å; W198-F214 HydrophobicContact CZ2-CZ 3.47Å; W198-F214 VanDerWaalsContact CZ2-CZ 3.47Å; W198-I226 HydrophobicContact CZ2-CG2 3.82Å; W198-L253 HydrophobicContact CD2-CD2 3.93Å; W198-L253 HydrophobicContact CE3-CD2 4.12Å; W198-L253 HydrophobicContact CG-CD2 4.4Å; W198-L253 HydrophobicContact CH2-CD2 4.49Å; W198-L253 HydrophobicContact CZ2-CD2 4.31Å; W198-L253 VanDerWaalsContact CZ3-C 3.49Å; W198-L253 HydrophobicContact CZ3-CB 4.23Å; W198-L253 HydrophobicContact CZ3-CD2 4.4Å; W198-L253 VanDerWaalsContact CZ3-O 3.27Å; W198-L253 WeakPolarHBondContact CZ3-O 3.37Å
199A98.9Very high98.3Very high4 Ų49.9 Ų9.93%0.0336%0.058CC..Hα-helixtrans-62-38.8175.900000112.2L137 V195 D196 I197 G201 V202 I203L137-A199 HydrophobicContact CB-CB 3.72Å; V195-A199 PolarHBondContact O-N 2.74Å; D196-A199 PolarHBondContact O-N 3.48Å; I197-A199 VanDerWaalsContact C-N 3.33Å; A199-G201 VanDerWaalsContact C-N 3.31Å; A199-G201 PolarHBondContact O-N 2.95Å; A199-V202 PolarHBondContact O-N 3.49Å; A199-I203 WeakPolarHBondContact O-CB 3.26Å; A199-I203 WeakPolarHBondContact O-CD1 3.35Å; A199-I203 VanDerWaalsContact O-CG1 3.24Å; A199-I203 WeakPolarHBondContact O-CG1 3.35Å; A199-I203 PolarHBondContact O-N 3.31Å
200C98.9Very high98Very high0 Ų06.9 Ų6.90%04%0.043CC..Hα-helixtrans-58.3-39.1170-71.30000112.8L121 D196 I197 W198 I203 L204 M252L121-C200 HydrophobicContact CD2-CB 4.43Å; D196-C200 PolarHBondContact O-N 2.64Å; D196-C200 PolarHBondContact O-SG 2.75Å; D196-C200 VanDerWaalsContact O-SG 3.4Å; I197-C200 WeakPolarHBondContact O-CB 3.33Å; I197-C200 PolarHBondContact O-N 2.79Å; W198-C200 VanDerWaalsContact C-N 3.34Å; W198-C200 PolarHBondContact O-N 2.68Å; C200-I203 PolarHBondContact O-N 2.89Å; C200-L204 VanDerWaalsContact O-CB 3.31Å; C200-L204 WeakPolarHBondContact O-CB 3.24Å; C200-L204 PolarHBondContact O-N 3.03Å; C200-M252 HydrophobicContact CB-CE 4.48Å; C200-M252 HydrophobicContact CB-SD 4.05Å
201G98.9Very high97.5Very high0 Ų06.1 Ų6.10%03%0.031CC..Hα-helixtrans-63.8-43174.900000112.8I197 W198 A199 L204 Y205I197-G201 PolarHBondContact O-N 2.83Å; W198-G201 WeakPolarHBondContact O-CA 3.4Å; W198-G201 PolarHBondContact O-N 3.2Å; A199-G201 VanDerWaalsContact C-N 3.31Å; A199-G201 PolarHBondContact O-N 2.95Å; G201-L204 PolarHBondContact O-N 3.25Å; G201-Y205 WeakPolarHBondContact O-CB 3.48Å; G201-Y205 PolarHBondContact O-N 2.82Å
202V98.9Very high97.4Very high1 Ų17.8 Ų7.81%0.0064%0.042CC..Hα-helixtrans-62.4-44.4173.9177.20000110.8Y180 W198 A199 Y205 I206 P213 F214 L253Y180-V202 HydrophobicContact CD1-CB 3.97Å; Y180-V202 HydrophobicContact CD1-CG1 3.51Å; Y180-V202 HydrophobicContact CE1-CB 4.35Å; Y180-V202 HydrophobicContact CE1-CG1 3.55Å; Y180-V202 HydrophobicContact CG-CG1 4.41Å; W198-V202 PolarHBondContact O-N 3Å; A199-V202 PolarHBondContact O-N 3.49Å; V202-Y205 PolarHBondContact O-N 2.78Å; V202-I206 HydrophobicContact CG1-CD1 4.07Å; V202-I206 WeakPolarHBondContact O-CD1 3.47Å; V202-I206 VanDerWaalsContact O-CG1 3.29Å; V202-I206 WeakPolarHBondContact O-CG1 3.37Å; V202-I206 PolarHBondContact O-N 3.22Å; V202-I206 VanDerWaalsContact O-N 3.15Å; V202-P213 HydrophobicContact CB-CG 4.38Å; V202-P213 HydrophobicContact CG1-CG 4.16Å; V202-P213 HydrophobicContact CG2-CG 4.2Å; V202-F214 HydrophobicContact CG2-CD2 4.26Å; V202-F214 HydrophobicContact CG2-CE2 4.14Å; V202-L253 HydrophobicContact CG2-CD2 3.9Å
203I98.8Very high97.4Very high0 Ų08.2 Ų8.20%04%0.044CC..Hα-helixtrans-63-46177.5-71.1161.1000110.9F99 I117 I120 L137 L142 Y180 A199 C200 Y205 I206 L207F99-I203 HydrophobicContact CE2-CG2 4.43Å; F99-I203 HydrophobicContact CZ-CG2 4.15Å; I117-I203 HydrophobicContact CD1-CG2 4.32Å; I120-I203 HydrophobicContact CD1-CG2 4.22Å; L137-I203 HydrophobicContact CB-CD1 4.04Å; L142-I203 HydrophobicContact CD1-CD1 4.16Å; L142-I203 HydrophobicContact CD1-CG2 3.99Å; Y180-I203 HydrophobicContact CD1-CG1 4.29Å; Y180-I203 HydrophobicContact CE1-CG1 4.06Å; A199-I203 WeakPolarHBondContact O-CB 3.26Å; A199-I203 WeakPolarHBondContact O-CD1 3.35Å; A199-I203 VanDerWaalsContact O-CG1 3.24Å; A199-I203 WeakPolarHBondContact O-CG1 3.35Å; A199-I203 PolarHBondContact O-N 3.31Å; C200-I203 PolarHBondContact O-N 2.89Å; I203-Y205 PolarHBondContact O-N 2.84Å; I203-I206 PolarHBondContact O-N 2.9Å; I203-L207 HydrophobicContact CG2-CD1 4.08Å; I203-L207 HydrophobicContact CG2-CG 4.4Å; I203-L207 WeakPolarHBondContact O-CG 3.39Å; I203-L207 PolarHBondContact O-N 3.07Å
204L98.8Very high97.3Very high0 Ų07.4 Ų7.40%04%0.041CC..Hα-helixtrans-61.2-42.4178.3178.455.9000111.8I117 C200 G201 I206 L207 L208 L248 I249 M252 W271I117-L204 HydrophobicContact CB-CD1 4.28Å; I117-L204 HydrophobicContact CD1-CB 4.16Å; I117-L204 HydrophobicContact CG1-CB 4.38Å; I117-L204 HydrophobicContact CG1-CD1 4.41Å; I117-L204 HydrophobicContact CG2-CD1 4.28Å; C200-L204 VanDerWaalsContact O-CB 3.31Å; C200-L204 WeakPolarHBondContact O-CB 3.24Å; C200-L204 PolarHBondContact O-N 3.03Å; G201-L204 PolarHBondContact O-N 3.25Å; L204-I206 PolarHBondContact O-N 3.39Å; L204-L207 PolarHBondContact O-N 2.95Å; L204-L208 HydrophobicContact CD1-CD1 4.32Å; L204-L208 HydrophobicContact CD1-CG 4.29Å; L204-L208 WeakPolarHBondContact O-CG 3.35Å; L204-L208 PolarHBondContact O-N 2.91Å; L204-L248 HydrophobicContact CD2-CB 4.39Å; L204-L248 HydrophobicContact CD2-CD2 3.84Å; L204-L248 HydrophobicContact CD2-CG 3.95Å; L204-I249 HydrophobicContact CB-CG1 4.34Å; L204-I249 HydrophobicContact CD2-CG1 3.71Å; L204-I249 HydrophobicContact CG-CD1 4.14Å; L204-I249 HydrophobicContact CG-CG1 3.79Å; L204-M252 HydrophobicContact CD2-SD 4.21Å; L204-W271 HydrophobicContact CD1-CH2 3.64Å; L204-W271 HydrophobicContact CD1-CZ3 3.55Å; L204-W271 HydrophobicContact CD2-CZ3 4.36Å
205Y98.8Very high96.8Very high3 Ų311.5 Ų11.51%0.0125%0.053CC..Hα-helixtrans-57.6-48.5174.3-169.4-73.2000111.2G201 V202 I203 L207 L208 V209 Y211 P213 Y231 D232 F233 W238 I249G201-Y205 WeakPolarHBondContact O-CB 3.48Å; G201-Y205 PolarHBondContact O-N 2.82Å; V202-Y205 PolarHBondContact O-N 2.78Å; I203-Y205 PolarHBondContact O-N 2.84Å; Y205-L207 VanDerWaalsContact C-N 3.33Å; Y205-L207 PolarHBondContact O-N 3.28Å; Y205-L208 PolarHBondContact O-N 3.26Å; Y205-L208 VanDerWaalsContact O-N 3.14Å; Y205-V209 HydrophobicContact CD1-CG2 3.96Å; Y205-V209 HydrophobicContact CE1-CG2 3.7Å; Y205-V209 WeakPolarHBondContact O-CG2 3.18Å; Y205-V209 PolarHBondContact O-N 3.46Å; Y205-Y211 VanDerWaalsContact CD1-O 3.26Å; Y205-Y211 WeakPolarHBondContact CD1-O 3.31Å; Y205-Y211 AromaticContact CE1-CD2 3.86Å; Y205-Y211 HydrophobicContact CE1-CD2 3.86Å; Y205-Y211 AromaticContact CE1-CE2 3.69Å; Y205-Y211 HydrophobicContact CE1-CE2 3.69Å; Y205-P213 HydrophobicContact CD1-CB 3.9Å; Y205-P213 HydrophobicContact CD1-CG 4.16Å; Y205-P213 HydrophobicContact CD2-CB 3.72Å; Y205-P213 HydrophobicContact CD2-CG 4.31Å; Y205-P213 HydrophobicContact CE1-CB 4.04Å; Y205-P213 HydrophobicContact CE2-CB 3.86Å; Y205-P213 HydrophobicContact CG-CB 3.75Å; Y205-P213 HydrophobicContact CG-CG 3.93Å; Y205-Y231 HydrophobicContact CE2-CD2 4.26Å; Y205-D232 WeakPolarHBondContact CE2-O 3.32Å; Y205-D232 PolarHBondContact OH-O 3.38Å; Y205-F233 HydrophobicContact CD2-CE1 4.12Å; Y205-F233 AromaticContact CE2-CD1 3.91Å; Y205-F233 HydrophobicContact CE2-CD1 3.91Å; Y205-F233 AromaticContact CE2-CE1 3.91Å; Y205-F233 HydrophobicContact CE2-CE1 3.91Å; Y205-W238 AromaticContact CD1-CZ2 3.85Å; Y205-W238 HydrophobicContact CD1-CZ2 3.85Å; Y205-W238 AromaticContact CD2-CH2 3.77Å; Y205-W238 HydrophobicContact CD2-CH2 3.77Å; Y205-W238 AromaticContact CD2-CZ2 3.5Å; Y205-W238 HydrophobicContact CD2-CZ2 3.5Å; Y205-W238 VanDerWaalsContact CD2-CZ2 3.5Å; Y205-W238 AromaticContact CE1-CZ2 3.66Å; Y205-W238 HydrophobicContact CE1-CZ2 3.66Å; Y205-W238 AromaticContact CE2-CE2 3.89Å; Y205-W238 AromaticContact CE2-CH2 3.95Å; Y205-W238 HydrophobicContact CE2-CH2 3.95Å; Y205-W238 AromaticContact CE2-CZ2 3.3Å; Y205-W238 HydrophobicContact CE2-CZ2 3.3Å; Y205-W238 HydrophobicContact CG-CH2 4.1Å; Y205-W238 AromaticContact CG-CZ2 3.77Å; Y205-W238 HydrophobicContact CG-CZ2 3.77Å; Y205-W238 AromaticContact CZ-CE2 3.75Å; Y205-W238 AromaticContact CZ-CZ2 3.39Å; Y205-W238 AromaticContact CZ-NE1 3.68Å; Y205-W238 PolarHBondContact OH-NE1 3.21Å; Y205-I249 HydrophobicContact CD2-CD1 4.25Å; Y205-I249 HydrophobicContact CD2-CG2 4.19Å
206I97.9Very high96.2Very high0 Ų013 Ų130%06%0.061CC..Hα-helixtrans-64.6-36.5178.3-56.5158.2000111.3F99 Y180 V202 I203 L204 L208 G210 P212 L291 F294F99-I206 HydrophobicContact CD1-CG2 4.49Å; F99-I206 HydrophobicContact CE1-CB 4.26Å; F99-I206 HydrophobicContact CE1-CG2 3.75Å; Y180-I206 HydrophobicContact CE1-CD1 3.98Å; V202-I206 HydrophobicContact CG1-CD1 4.07Å; V202-I206 WeakPolarHBondContact O-CD1 3.47Å; V202-I206 VanDerWaalsContact O-CG1 3.29Å; V202-I206 WeakPolarHBondContact O-CG1 3.37Å; V202-I206 PolarHBondContact O-N 3.22Å; V202-I206 VanDerWaalsContact O-N 3.15Å; I203-I206 PolarHBondContact O-N 2.9Å; L204-I206 PolarHBondContact O-N 3.39Å; I206-L208 PolarHBondContact O-N 2.89Å; I206-G210 WeakPolarHBondContact O-CA 3.14Å; I206-G210 PolarHBondContact O-N 3.03Å; I206-P212 HydrophobicContact CD1-CB 4.21Å; I206-P212 HydrophobicContact CG1-CB 4.13Å; I206-L291 HydrophobicContact CG2-CD1 3.72Å; I206-F294 HydrophobicContact CD1-CE2 4.33Å; I206-F294 HydrophobicContact CD1-CZ 3.99Å; I206-F294 HydrophobicContact CG2-CD1 4.18Å; I206-F294 HydrophobicContact CG2-CE1 4.02Å; I206-F294 HydrophobicContact CG2-CE2 4.49Å; I206-F294 HydrophobicContact CG2-CG 4.48Å; I206-F294 HydrophobicContact CG2-CZ 4.18Å
207L97.8Very high95Very high0 Ų020.4 Ų20.40%010%0.095CC..Hα-helixtrans-61-31.7175.2-72.4171.4000112.3F99 I102 Y108 A113 C116 I117 I203 L204 Y205F99-L207 HydrophobicContact CE1-CD2 3.88Å; F99-L207 HydrophobicContact CE1-CG 4.32Å; F99-L207 HydrophobicContact CE2-CD2 4.29Å; F99-L207 HydrophobicContact CZ-CD2 3.7Å; F99-L207 HydrophobicContact CZ-CG 3.97Å; I102-L207 HydrophobicContact CD1-CD2 3.5Å; Y108-L207 VanDerWaalsContact CE1-O 3.3Å; Y108-L207 WeakPolarHBondContact CE1-O 3.3Å; Y108-L207 PolarHBondContact OH-O 3.48Å; A113-L207 HydrophobicContact CB-CB 4.19Å; C116-L207 HydrophobicContact CB-CD1 4.32Å; I117-L207 HydrophobicContact CD1-CD1 4.5Å; I203-L207 HydrophobicContact CG2-CD1 4.08Å; I203-L207 HydrophobicContact CG2-CG 4.4Å; I203-L207 WeakPolarHBondContact O-CG 3.39Å; I203-L207 PolarHBondContact O-N 3.07Å; L204-L207 PolarHBondContact O-N 2.95Å; Y205-L207 VanDerWaalsContact C-N 3.33Å; Y205-L207 PolarHBondContact O-N 3.28Å
208L98.1Very high93.9Very high1 Ų123.7 Ų23.71%0.00511%0.113CC..Hα-helixtrans-87.7-27.4-175.1-67.4-178.6000115.7E110 A113 L204 Y205 I206 W238 V241 A245 I249 W271 R284 T287E110-L208 HydrophobicContact CG-CD2 3.99Å; A113-L208 HydrophobicContact CB-CD2 3.7Å; L204-L208 HydrophobicContact CD1-CD1 4.32Å; L204-L208 HydrophobicContact CD1-CG 4.29Å; L204-L208 WeakPolarHBondContact O-CG 3.35Å; L204-L208 PolarHBondContact O-N 2.91Å; Y205-L208 PolarHBondContact O-N 3.26Å; Y205-L208 VanDerWaalsContact O-N 3.14Å; I206-L208 PolarHBondContact O-N 2.89Å; L208-W238 HydrophobicContact CB-CH2 4.06Å; L208-W238 HydrophobicContact CB-CZ3 4.43Å; L208-W238 HydrophobicContact CD1-CH2 4.14Å; L208-W238 HydrophobicContact CD1-CZ3 4.06Å; L208-V241 HydrophobicContact CD1-CG1 4.1Å; L208-A245 HydrophobicContact CD1-CB 3.77Å; L208-I249 HydrophobicContact CD1-CD1 3.84Å; L208-W271 HydrophobicContact CD2-CH2 3.98Å; L208-W271 HydrophobicContact CD2-CZ2 3.84Å; L208-R284 PolarHBondContact O-NE 3.32Å; L208-R284 PolarHBondContact O-NH2 3.28Å; L208-T287 WeakPolarHBondContact O-CG2 3.36Å; L208-T287 PolarHBondContact O-OG1 3.45Å
209V94.9Very high93.1Very high1 Ų128.9 Ų28.91%0.00614%0.137CC..Hα-helixtrans-135.3-6.1-176.6-63.50000115.4Y205 Y211 E237 W238 C290Y205-V209 HydrophobicContact CD1-CG2 3.96Å; Y205-V209 HydrophobicContact CE1-CG2 3.7Å; Y205-V209 WeakPolarHBondContact O-CG2 3.18Å; Y205-V209 PolarHBondContact O-N 3.46Å; V209-Y211 HydrophobicContact CB-CD1 4.1Å; V209-Y211 HydrophobicContact CB-CE1 3.64Å; V209-Y211 HydrophobicContact CG2-CD1 3.87Å; V209-Y211 HydrophobicContact CG2-CD2 4.05Å; V209-Y211 HydrophobicContact CG2-CE1 3.61Å; V209-Y211 HydrophobicContact CG2-CE2 3.77Å; V209-Y211 HydrophobicContact CG2-CG 4.1Å; V209-Y211 WeakPolarHBondContact O-CD1 3.11Å; V209-Y211 PolarHBondContact O-N 3.01Å; V209-E237 HydrophobicContact CG1-CB 4.16Å; V209-W238 HydrophobicContact CB-CZ2 4.23Å; V209-W238 HydrophobicContact CG1-CD2 3.88Å; V209-W238 VanDerWaalsContact CG1-CE2 3.41Å; V209-W238 HydrophobicContact CG1-CG 4.21Å; V209-W238 HydrophobicContact CG1-CH2 4.34Å; V209-W238 HydrophobicContact CG1-CZ2 3.66Å; V209-W238 HydrophobicContact CG2-CZ2 3.5Å; V209-C290 WeakPolarHBondContact O-CB 3.34Å
210G90.8Very high92.3Very high1 Ų133.9 Ų33.91%0.0116%0.16CC..SBendtrans81.76172.200000115.8I206 C290 F294I206-G210 WeakPolarHBondContact O-CA 3.14Å; I206-G210 PolarHBondContact O-N 3.03Å; G210-C290 CarbonylContact O-C 3.59Å; G210-F294 VanDerWaalsContact O-CB 3.3Å; G210-F294 WeakPolarHBondContact O-CB 3.34Å
211Y87.8Confident91.6Very high55 Ų5538.7 Ų38.722%0.21618%0.181CC..SBendtrans-134.4155.2174.957.2-98.5000111.1Y205 V209 P234 W238Y205-Y211 VanDerWaalsContact CD1-O 3.26Å; Y205-Y211 WeakPolarHBondContact CD1-O 3.31Å; Y205-Y211 AromaticContact CE1-CD2 3.86Å; Y205-Y211 HydrophobicContact CE1-CD2 3.86Å; Y205-Y211 AromaticContact CE1-CE2 3.69Å; Y205-Y211 HydrophobicContact CE1-CE2 3.69Å; V209-Y211 HydrophobicContact CB-CD1 4.1Å; V209-Y211 HydrophobicContact CB-CE1 3.64Å; V209-Y211 HydrophobicContact CG2-CD1 3.87Å; V209-Y211 HydrophobicContact CG2-CD2 4.05Å; V209-Y211 HydrophobicContact CG2-CE1 3.61Å; V209-Y211 HydrophobicContact CG2-CE2 3.77Å; V209-Y211 HydrophobicContact CG2-CG 4.1Å; V209-Y211 WeakPolarHBondContact O-CD1 3.11Å; V209-Y211 PolarHBondContact O-N 3.01Å; Y211-P234 WeakPolarHBondContact OH-CG 3.4Å; Y211-W238 AromaticContact CZ-NE1 3.91Å; Y211-W238 PolarHBondContact OH-NE1 3.33Å; Y211-W238 VanDerWaalsContact OH-NE1 3.15Å
212P95.3Very high91.2Very high37 Ų3739.5 Ų39.524%0.2419%0.185CC..  trans-78.5151.3-177.532-36.6000113.3I206 F214 W215 F294I206-P212 HydrophobicContact CD1-CB 4.21Å; I206-P212 HydrophobicContact CG1-CB 4.13Å; P212-F214 VanDerWaalsContact C-N 3.32Å; P212-F214 PolarHBondContact O-N 3.32Å; P212-W215 HydrophobicContact CG-CB 4.12Å; P212-F294 HydrophobicContact CG-CE2 4.44Å
213P98Very high91Very high13 Ų1341 Ų418%0.08419%0.191CC..SBendtrans-71.3-24.1177.126.7-32.4000113.8V202 Y205 Y231 L253V202-P213 HydrophobicContact CB-CG 4.38Å; V202-P213 HydrophobicContact CG1-CG 4.16Å; V202-P213 HydrophobicContact CG2-CG 4.2Å; Y205-P213 HydrophobicContact CD1-CB 3.9Å; Y205-P213 HydrophobicContact CD1-CG 4.16Å; Y205-P213 HydrophobicContact CD2-CB 3.72Å; Y205-P213 HydrophobicContact CD2-CG 4.31Å; Y205-P213 HydrophobicContact CE1-CB 4.04Å; Y205-P213 HydrophobicContact CE2-CB 3.86Å; Y205-P213 HydrophobicContact CG-CB 3.75Å; Y205-P213 HydrophobicContact CG-CG 3.93Å; P213-Y231 HydrophobicContact CB-CG 4.29Å; P213-L253 HydrophobicContact CB-CD1 4.35Å; P213-L253 HydrophobicContact CG-CD1 4.28Å
214F96.8Very high90.8Very high4 Ų445.8 Ų45.82%0.01821%0.213CC..SBendtrans-125122.7178.3-48.2-70000108.9W198 V202 P212 L222 Q225 I226 Y231 L253W198-F214 AromaticContact CE2-CE2 3.98Å; W198-F214 HydrophobicContact CH2-CE2 4.13Å; W198-F214 AromaticContact CH2-CZ 3.8Å; W198-F214 HydrophobicContact CH2-CZ 3.8Å; W198-F214 HydrophobicContact CZ2-CD2 4.31Å; W198-F214 AromaticContact CZ2-CE2 3.35Å; W198-F214 HydrophobicContact CZ2-CE2 3.35Å; W198-F214 AromaticContact CZ2-CZ 3.47Å; W198-F214 HydrophobicContact CZ2-CZ 3.47Å; W198-F214 VanDerWaalsContact CZ2-CZ 3.47Å; V202-F214 HydrophobicContact CG2-CD2 4.26Å; V202-F214 HydrophobicContact CG2-CE2 4.14Å; P212-F214 VanDerWaalsContact C-N 3.32Å; P212-F214 PolarHBondContact O-N 3.32Å; F214-L222 HydrophobicContact CB-CD1 3.76Å; F214-Q225 HydrophobicContact CD1-CB 4.22Å; F214-I226 HydrophobicContact CB-CD1 4.45Å; F214-I226 HydrophobicContact CB-CG1 3.77Å; F214-I226 HydrophobicContact CD1-CG1 4.22Å; F214-I226 HydrophobicContact CD2-CG1 3.87Å; F214-I226 HydrophobicContact CG-CG1 3.68Å; F214-Y231 AromaticContact CE1-CD1 3.76Å; F214-Y231 HydrophobicContact CE1-CD1 3.76Å; F214-Y231 HydrophobicContact CE1-CG 4.23Å; F214-Y231 AromaticContact CZ-CD1 3.61Å; F214-Y231 HydrophobicContact CZ-CD1 3.61Å; F214-Y231 HydrophobicContact CZ-CE1 4.44Å; F214-Y231 HydrophobicContact CZ-CG 4.23Å; F214-L253 HydrophobicContact CE2-CD1 4.35Å; F214-L253 HydrophobicContact CE2-CD2 4.25Å; F214-L253 HydrophobicContact CZ-CD1 4.36Å
215W88.4Confident90.7Very high108 Ų10848.1 Ų48.141%0.40922%0.224SC..  trans-155.3136.4176.5-174.260.3000112.9P212 E217 Q225 R297P212-W215 HydrophobicContact CG-CB 4.12Å; W215-E217 HydrophobicContact CH2-CG 3.62Å; W215-E217 HydrophobicContact CZ2-CG 3.4Å; W215-E217 VanDerWaalsContact CZ2-CG 3.4Å; W215-Q225 PolarHBondContact O-NE2 3.4Å; W215-Q225 PolarHBondContact O-OE1 3.16Å; W215-R297 VanDerWaalsContact CZ2-NH1 3.3Å
216D84.9Confident90.7Very high43 Ų4348 Ų4823%0.2322%0.223CC..  trans-150166.5165.8-155-62.4000108.7D218 K221 L222D216-D218 PolarHBondContact OD1-N 2.66Å; D216-K221 HydrophobicContact CB-CB 4.03Å; D216-K221 WeakPolarHBondContact OD2-CB 3.46Å; D216-K221 VanDerWaalsContact OD2-CD 3.24Å; D216-K221 WeakPolarHBondContact OD2-CD 3.45Å; D216-L222 HydrophobicContact CB-CB 4.19Å
217E75.1Confident90.7Very high155 Ų15551.4 Ų51.472%0.72424%0.238SC*.SBendtrans-82.4-32.5166.6-67.1-168.316100111.2W215 Q219 R297W215-E217 HydrophobicContact CH2-CG 3.62Å; W215-E217 HydrophobicContact CZ2-CG 3.4Å; W215-E217 VanDerWaalsContact CZ2-CG 3.4Å; E217-Q219 PolarHBondContact O-N 2.93Å; E217-R297 IonicContact OE1-NH2 2.74Å
218D75.5Confident90.7Very high71 Ų7154.5 Ų54.538%0.3826%0.264SS..SBendtrans-83111.4172-177.2-12.9000110.2D216 H220 K221 L222D216-D218 PolarHBondContact OD1-N 2.66Å; D218-H220 PolarHBondContact O-N 3.05Å; D218-H220 VanDerWaalsContact O-N 3.14Å; D218-H220 WeakPolarHBondContact OD1-CA 3.43Å; D218-H220 VanDerWaalsContact OD1-CB 3.25Å; D218-H220 WeakPolarHBondContact OD1-CB 3.4Å; D218-H220 PolarHBondContact OD1-N 3.16Å; D218-K221 HydrophobicContact CB-CB 4.18Å; D218-K221 HydrophobicContact CB-CD 3.91Å; D218-K221 HydrophobicContact CB-CG 3.95Å; D218-K221 PolarHBondContact O-N 2.84Å; D218-L222 PolarHBondContact O-N 2.8Å
219Q81.4Confident90.7Very high109 Ų10955.1 Ų55.151%0.50927%0.271SS..Hα-helixtrans-58.2-28178.7-164-174.3-84.100112.7E217 Y223E217-Q219 PolarHBondContact O-N 2.93Å; Q219-Y223 HydrophobicContact CG-CD2 4.48Å; Q219-Y223 HydrophobicContact CG-CE1 4.03Å; Q219-Y223 HydrophobicContact CG-CE2 3.92Å; Q219-Y223 PolarHBondContact NE2-OH 2.9Å; Q219-Y223 WeakPolarHBondContact O-CD2 3.42Å; Q219-Y223 PolarHBondContact O-N 3.26Å
220H81.8Confident90.9Very high110 Ų11057.8 Ų57.851%0.50929%0.293SS..Hα-helixtrans-69.3-42.8176-17185.8000111.5D218 Y223 Q224D218-H220 PolarHBondContact O-N 3.05Å; D218-H220 VanDerWaalsContact O-N 3.14Å; D218-H220 WeakPolarHBondContact OD1-CA 3.43Å; D218-H220 VanDerWaalsContact OD1-CB 3.25Å; D218-H220 WeakPolarHBondContact OD1-CB 3.4Å; D218-H220 PolarHBondContact OD1-N 3.16Å; H220-Y223 PolarHBondContact O-N 3Å; H220-Q224 PolarHBondContact CD2-NE2 2.81Å; H220-Q224 PolarHBondContact NE2-NE2 2.9Å; H220-Q224 WeakPolarHBondContact O-CG 3.5Å; H220-Q224 PolarHBondContact O-N 3.25Å
221K84.3Confident91.2Very high101 Ų10160.2 Ų60.244%0.43930%0.302SS..Hα-helixtrans-66.7-41.8175.6-65.4-179.8-165.8169.60111.9D216 D218 Y223 Q224 Q225D216-K221 HydrophobicContact CB-CB 4.03Å; D216-K221 WeakPolarHBondContact OD2-CB 3.46Å; D216-K221 VanDerWaalsContact OD2-CD 3.24Å; D216-K221 WeakPolarHBondContact OD2-CD 3.45Å; D218-K221 HydrophobicContact CB-CB 4.18Å; D218-K221 HydrophobicContact CB-CD 3.91Å; D218-K221 HydrophobicContact CB-CG 3.95Å; D218-K221 PolarHBondContact O-N 2.84Å; K221-Y223 VanDerWaalsContact C-N 3.27Å; K221-Y223 PolarHBondContact O-N 3.05Å; K221-Q224 WeakPolarHBondContact O-CA 3.29Å; K221-Q224 WeakPolarHBondContact O-CB 3.39Å; K221-Q224 PolarHBondContact O-N 2.82Å; K221-Q225 WeakPolarHBondContact O-CG 3.42Å; K221-Q225 PolarHBondContact O-N 2.86Å
222L91.4Very high91.7Very high16 Ų1662.5 Ų62.58%0.08432%0.318CS..Hα-helixtrans-53-46.6170.6174.361000111.2P178 F214 D216 D218 Q224 Q225 I226P178-L222 HydrophobicContact CB-CD2 4.18Å; F214-L222 HydrophobicContact CB-CD1 3.76Å; D216-L222 HydrophobicContact CB-CB 4.19Å; D218-L222 PolarHBondContact O-N 2.8Å; L222-Q224 VanDerWaalsContact C-N 3.31Å; L222-Q224 PolarHBondContact O-N 3.23Å; L222-Q225 PolarHBondContact O-N 3.39Å; L222-I226 HydrophobicContact CD1-CD1 3.93Å; L222-I226 HydrophobicContact CD1-CG1 4.32Å; L222-I226 HydrophobicContact CG-CD1 4Å; L222-I226 WeakPolarHBondContact O-CG1 3.38Å; L222-I226 PolarHBondContact O-N 2.95Å
223Y95Very high91.8Very high34 Ų3463.1 Ų63.113%0.13332%0.317CS..Hα-helixtrans-67.8-26.9176.6-67.4-13.4000113.7F174 P178 L181 L186 Q219 H220 K221 I226 K227F174-Y223 HydrophobicContact CZ-CE2 4.23Å; P178-Y223 HydrophobicContact CB-CE1 3.94Å; L181-Y223 HydrophobicContact CD1-CE1 4.01Å; L186-Y223 HydrophobicContact CD1-CD1 3.77Å; L186-Y223 HydrophobicContact CD1-CG 4.01Å; L186-Y223 HydrophobicContact CD2-CD1 3.66Å; L186-Y223 HydrophobicContact CD2-CD2 4.18Å; L186-Y223 HydrophobicContact CD2-CE1 3.78Å; L186-Y223 HydrophobicContact CD2-CE2 4.3Å; L186-Y223 HydrophobicContact CD2-CG 3.87Å; L186-Y223 HydrophobicContact CG-CD1 4.4Å; Q219-Y223 HydrophobicContact CG-CD2 4.48Å; Q219-Y223 HydrophobicContact CG-CE1 4.03Å; Q219-Y223 HydrophobicContact CG-CE2 3.92Å; Q219-Y223 PolarHBondContact NE2-OH 2.9Å; Q219-Y223 WeakPolarHBondContact O-CD2 3.42Å; Q219-Y223 PolarHBondContact O-N 3.26Å; H220-Y223 PolarHBondContact O-N 3Å; K221-Y223 VanDerWaalsContact C-N 3.27Å; K221-Y223 PolarHBondContact O-N 3.05Å; Y223-I226 HydrophobicContact CD1-CD1 4.48Å; Y223-K227 WeakPolarHBondContact O-CB 3.23Å; Y223-K227 WeakPolarHBondContact O-CE 3.41Å; Y223-K227 VanDerWaalsContact O-CG 3.25Å; Y223-K227 WeakPolarHBondContact O-CG 3.38Å; Y223-K227 PolarHBondContact O-N 3.42Å; Y223-K227 VanDerWaalsContact O-N 3.15Å
224Q94.8Very high91.7Very high100 Ų10064.5 Ų64.547%0.46733%0.326SS..Hα-helixtrans-70.2-47.3170.7-69.3177.9-0.100111.2H220 K221 L222 I226 K227 A228H220-Q224 PolarHBondContact CD2-NE2 2.81Å; H220-Q224 PolarHBondContact NE2-NE2 2.9Å; H220-Q224 WeakPolarHBondContact O-CG 3.5Å; H220-Q224 PolarHBondContact O-N 3.25Å; K221-Q224 WeakPolarHBondContact O-CA 3.29Å; K221-Q224 WeakPolarHBondContact O-CB 3.39Å; K221-Q224 PolarHBondContact O-N 2.82Å; L222-Q224 VanDerWaalsContact C-N 3.31Å; L222-Q224 PolarHBondContact O-N 3.23Å; Q224-I226 PolarHBondContact O-N 2.71Å; Q224-K227 PolarHBondContact O-N 2.85Å; Q224-A228 WeakPolarHBondContact O-CB 3.45Å; Q224-A228 PolarHBondContact O-N 2.8Å
225Q96.9Very high91.6Very high48 Ų4868.2 Ų68.222%0.22435%0.352CS..Hα-helixtrans-54.3-52.1176-66.4171.47.100111.2F214 W215 K221 L222 K227 A228 G229 A230F214-Q225 HydrophobicContact CD1-CB 4.22Å; W215-Q225 PolarHBondContact O-NE2 3.4Å; W215-Q225 PolarHBondContact O-OE1 3.16Å; K221-Q225 WeakPolarHBondContact O-CG 3.42Å; K221-Q225 PolarHBondContact O-N 2.86Å; L222-Q225 PolarHBondContact O-N 3.39Å; Q225-K227 PolarHBondContact O-N 3.38Å; Q225-A228 CarbonylContact O-C 3.49Å; Q225-A228 PolarHBondContact O-N 3.17Å; Q225-G229 PolarHBondContact O-N 3.34Å; Q225-A230 PolarHBondContact O-N 2.92Å
226I98.4Very high91.8Very high0 Ų066.8 Ų66.80%036%0.357CS..Hα-helixtrans-58.6-50.4178.4-67.2168.2000110.8P178 L181 P183 L186 W198 F214 L222 Y223 Q224 A228 G229P178-I226 WeakPolarHBondContact O-CD1 3.38Å; L181-I226 VanDerWaalsContact O-CG2 3.24Å; L181-I226 WeakPolarHBondContact O-CG2 3.2Å; P183-I226 HydrophobicContact CG-CG2 4.37Å; L186-I226 HydrophobicContact CD1-CB 3.69Å; L186-I226 HydrophobicContact CD1-CD1 4.18Å; L186-I226 HydrophobicContact CD1-CG2 3.44Å; L186-I226 VanDerWaalsContact CD1-CG2 3.44Å; L186-I226 HydrophobicContact CG-CG2 4.48Å; W198-I226 HydrophobicContact CZ2-CG2 3.82Å; F214-I226 HydrophobicContact CB-CD1 4.45Å; F214-I226 HydrophobicContact CB-CG1 3.77Å; F214-I226 HydrophobicContact CD1-CG1 4.22Å; F214-I226 HydrophobicContact CD2-CG1 3.87Å; F214-I226 HydrophobicContact CG-CG1 3.68Å; L222-I226 HydrophobicContact CD1-CD1 3.93Å; L222-I226 HydrophobicContact CD1-CG1 4.32Å; L222-I226 HydrophobicContact CG-CD1 4Å; L222-I226 WeakPolarHBondContact O-CG1 3.38Å; L222-I226 PolarHBondContact O-N 2.95Å; Y223-I226 HydrophobicContact CD1-CD1 4.48Å; Q224-I226 PolarHBondContact O-N 2.71Å; I226-A228 PolarHBondContact O-N 3.43Å; I226-G229 PolarHBondContact O-N 3.04Å
227K98.1Very high92.2Very high73 Ų7367.2 Ų67.232%0.31736%0.358SS..Hα-helixtrans-63.4-26.9180-78-177.1-63.1176.10113.8L186 R187 Y223 Q224 Q225L186-K227 HydrophobicContact CB-CD 3.96Å; L186-K227 HydrophobicContact CB-CG 3.72Å; L186-K227 HydrophobicContact CD1-CG 4.12Å; R187-K227 HydrophobicContact CG-CD 4.05Å; R187-K227 HydrophobicContact CG-CG 4.3Å; R187-K227 PolarHBondContact NH2-O 3.45Å; Y223-K227 WeakPolarHBondContact O-CB 3.23Å; Y223-K227 WeakPolarHBondContact O-CE 3.41Å; Y223-K227 VanDerWaalsContact O-CG 3.25Å; Y223-K227 WeakPolarHBondContact O-CG 3.38Å; Y223-K227 PolarHBondContact O-N 3.42Å; Y223-K227 VanDerWaalsContact O-N 3.15Å; Q224-K227 PolarHBondContact O-N 2.85Å; Q225-K227 PolarHBondContact O-N 3.38Å
228A97.9Very high93.2Very high64 Ų6459.9 Ų59.953%0.52932%0.323SS..Hα-helixtrans-85.5-11.9174.900000113.2Q224 Q225 I226 A230 I255Q224-A228 WeakPolarHBondContact O-CB 3.45Å; Q224-A228 PolarHBondContact O-N 2.8Å; Q225-A228 CarbonylContact O-C 3.49Å; Q225-A228 PolarHBondContact O-N 3.17Å; I226-A228 PolarHBondContact O-N 3.43Å; A228-A230 HydrophobicContact CB-CB 4.11Å; A228-A230 PolarHBondContact O-N 2.99Å; A228-I255 VanDerWaalsContact O-CD1 3.23Å; A228-I255 WeakPolarHBondContact O-CD1 3.24Å
229G97.9Very high94.2Very high15 Ų1561.3 Ų61.316%0.15533%0.331CS..THydrogen-bonded Turntrans60.330.6-167.700000112.5Q225 I226 Y231Q225-G229 PolarHBondContact O-N 3.34Å; I226-G229 PolarHBondContact O-N 3.04Å; G229-Y231 VanDerWaalsContact O-CD1 3.25Å; G229-Y231 WeakPolarHBondContact O-CD1 3.22Å; G229-Y231 PolarHBondContact O-N 2.99Å
230A97.8Very high94.9Very high57 Ų5759.5 Ų59.547%0.47133%0.328SS..  trans-81.186-17600000110.7Q225 A228Q225-A230 PolarHBondContact O-N 2.92Å; A228-A230 HydrophobicContact CB-CB 4.11Å; A228-A230 PolarHBondContact O-N 2.99Å
231Y98.5Very high95.7Very high51 Ų5154.5 Ų54.520%0.231%0.305CS..  trans-134.1161.3166.368.4-81.5000108.9Y205 P213 F214 G229 F233 I249 N250 L253Y205-Y231 HydrophobicContact CE2-CD2 4.26Å; P213-Y231 HydrophobicContact CB-CG 4.29Å; F214-Y231 AromaticContact CE1-CD1 3.76Å; F214-Y231 HydrophobicContact CE1-CD1 3.76Å; F214-Y231 HydrophobicContact CE1-CG 4.23Å; F214-Y231 AromaticContact CZ-CD1 3.61Å; F214-Y231 HydrophobicContact CZ-CD1 3.61Å; F214-Y231 HydrophobicContact CZ-CE1 4.44Å; F214-Y231 HydrophobicContact CZ-CG 4.23Å; G229-Y231 VanDerWaalsContact O-CD1 3.25Å; G229-Y231 WeakPolarHBondContact O-CD1 3.22Å; G229-Y231 PolarHBondContact O-N 2.99Å; Y231-F233 HydrophobicContact CE2-CE1 4.31Å; Y231-F233 HydrophobicContact CE2-CE2 4.33Å; Y231-F233 AromaticContact CE2-CZ 3.88Å; Y231-F233 HydrophobicContact CE2-CZ 3.88Å; Y231-I249 HydrophobicContact CE2-CG2 4.14Å; Y231-N250 WeakPolarHBondContact OH-CA 3.21Å; Y231-N250 PolarHBondContact OH-OD1 3.33Å; Y231-L253 HydrophobicContact CD1-CB 4.42Å; Y231-L253 HydrophobicContact CD1-CD1 3.97Å; Y231-L253 HydrophobicContact CD2-CD1 4.15Å; Y231-L253 HydrophobicContact CE1-CB 3.6Å; Y231-L253 HydrophobicContact CE1-CD1 3.84Å; Y231-L253 HydrophobicContact CE1-CG 4.38Å; Y231-L253 HydrophobicContact CE2-CD1 4.02Å; Y231-L253 HydrophobicContact CG-CD1 4.14Å
232D97.5Very high96.4Very high103 Ų10350.7 Ų50.755%0.55129%0.29SS*.  trans-138.6-176.2177.762.6-12.2000111.4Y205Y205-D232 WeakPolarHBondContact CE2-O 3.32Å; Y205-D232 PolarHBondContact OH-O 3.38Å
233F98.4Very high96.7Very high51 Ų5154.3 Ų54.322%0.22431%0.314CS..  trans-124.474.3177.8-61.3-59.2000108.8Y205 Y231 W238 K246 I249 N250Y205-F233 HydrophobicContact CD2-CE1 4.12Å; Y205-F233 AromaticContact CE2-CD1 3.91Å; Y205-F233 HydrophobicContact CE2-CD1 3.91Å; Y205-F233 AromaticContact CE2-CE1 3.91Å; Y205-F233 HydrophobicContact CE2-CE1 3.91Å; Y231-F233 HydrophobicContact CE2-CE1 4.31Å; Y231-F233 HydrophobicContact CE2-CE2 4.33Å; Y231-F233 AromaticContact CE2-CZ 3.88Å; Y231-F233 HydrophobicContact CE2-CZ 3.88Å; F233-W238 HydrophobicContact CB-CB 3.88Å; F233-W238 HydrophobicContact CB-CD2 3.91Å; F233-W238 HydrophobicContact CB-CE3 4.24Å; F233-W238 HydrophobicContact CB-CG 3.74Å; F233-W238 AromaticContact CD1-CD2 3.52Å; F233-W238 HydrophobicContact CD1-CD2 3.52Å; F233-W238 AromaticContact CD1-CE2 3.73Å; F233-W238 AromaticContact CD1-CE3 3.4Å; F233-W238 HydrophobicContact CD1-CE3 3.4Å; F233-W238 VanDerWaalsContact CD1-CE3 3.4Å; F233-W238 HydrophobicContact CD1-CG 4.26Å; F233-W238 AromaticContact CD1-CH2 3.82Å; F233-W238 HydrophobicContact CD1-CH2 3.82Å; F233-W238 AromaticContact CD1-CZ2 3.9Å; F233-W238 HydrophobicContact CD1-CZ2 3.9Å; F233-W238 AromaticContact CD1-CZ3 3.55Å; F233-W238 HydrophobicContact CD1-CZ3 3.55Å; F233-W238 HydrophobicContact CE1-CD2 4.47Å; F233-W238 HydrophobicContact CE1-CE3 4.03Å; F233-W238 AromaticContact CE1-CH2 3.84Å; F233-W238 HydrophobicContact CE1-CH2 3.84Å; F233-W238 HydrophobicContact CE1-CZ2 4.27Å; F233-W238 AromaticContact CE1-CZ3 3.68Å; F233-W238 HydrophobicContact CE1-CZ3 3.68Å; F233-W238 HydrophobicContact CG-CD2 4.15Å; F233-W238 HydrophobicContact CG-CE3 4.11Å; F233-W238 HydrophobicContact CG-CG 4.48Å; F233-K246 HydrophobicContact CD1-CG 4.22Å; F233-K246 HydrophobicContact CD2-CB 4.32Å; F233-K246 HydrophobicContact CD2-CD 4.25Å; F233-K246 HydrophobicContact CD2-CG 4.18Å; F233-K246 HydrophobicContact CE1-CB 4.39Å; F233-K246 HydrophobicContact CE1-CG 4.18Å; F233-K246 HydrophobicContact CE2-CB 3.87Å; F233-K246 HydrophobicContact CE2-CG 4.16Å; F233-K246 HydrophobicContact CG-CD 4.33Å; F233-K246 HydrophobicContact CG-CG 4.21Å; F233-K246 HydrophobicContact CZ-CB 3.89Å; F233-K246 HydrophobicContact CZ-CG 4.15Å; F233-I249 HydrophobicContact CE1-CB 4.4Å; F233-I249 HydrophobicContact CE1-CD1 4.28Å; F233-I249 HydrophobicContact CE1-CG2 3.98Å; F233-I249 HydrophobicContact CZ-CB 4.23Å; F233-I249 HydrophobicContact CZ-CG2 3.92Å; F233-N250 VanDerWaalsContact CE2-OD1 3.27Å; F233-N250 WeakPolarHBondContact CE2-OD1 3.23Å; F233-N250 VanDerWaalsContact CZ-OD1 3.28Å; F233-N250 WeakPolarHBondContact CZ-OD1 3.29Å
234P95Very high96.9Very high42 Ų4256.3 Ų56.327%0.27333%0.325SS..  trans-69.8146.2-169.827.8-36.2000113.2Y211 W238Y211-P234 WeakPolarHBondContact OH-CG 3.4Å; P234-W238 VanDerWaalsContact CD-CD1 3.43Å; P234-W238 WeakPolarHBondContact O-CB 3.33Å; P234-W238 VanDerWaalsContact O-CD1 3.27Å; P234-W238 PolarHBondContact O-N 2.92Å
235S94.2Very high97.1Very high82 Ų8251.5 Ų51.557%0.57330%0.303SS*.THydrogen-bonded Turntrans-77.2147170.6-54.60000110.7D239S235-D239 VanDerWaalsContact CB-OD1 3.31Å; S235-D239 WeakPolarHBondContact CB-OD1 3.15Å; S235-D239 WeakPolarHBondContact CB-OD2 3.44Å; S235-D239 PolarHBondContact OG-OD1 3.04Å; S235-D239 PolarHBondContact OG-OD2 3.12Å
236P93.9Very high97.1Very high78 Ų7851.4 Ų51.451%0.50630%0.301SS..THydrogen-bonded Turncis-91.3-16.67.135.4-36000115.1W238 D239P236-W238 PolarHBondContact O-N 3.3Å; P236-W238 VanDerWaalsContact O-N 3.16Å; P236-D239 WeakPolarHBondContact O-CB 3.4Å; P236-D239 PolarHBondContact O-N 3.22Å
237E91.4Very high97.2Very high52 Ų5254.8 Ų54.824%0.24332%0.319CS..THydrogen-bonded Turntrans-65.6-30.4-164.2-5581.4-175.900112.5V209 R284V209-E237 HydrophobicContact CG1-CB 4.16Å; E237-R284 PolarHBondContact O-NH2 3.44Å
238W97.4Very high97.2Very high0 Ų051.3 Ų51.30%030%0.304CS..THydrogen-bonded Turntrans-85.9-12.9176.8-72.893000114.7Y205 L208 V209 Y211 F233 P234 P236 T240 V241 K246 I249Y205-W238 AromaticContact CD1-CZ2 3.85Å; Y205-W238 HydrophobicContact CD1-CZ2 3.85Å; Y205-W238 AromaticContact CD2-CH2 3.77Å; Y205-W238 HydrophobicContact CD2-CH2 3.77Å; Y205-W238 AromaticContact CD2-CZ2 3.5Å; Y205-W238 HydrophobicContact CD2-CZ2 3.5Å; Y205-W238 VanDerWaalsContact CD2-CZ2 3.5Å; Y205-W238 AromaticContact CE1-CZ2 3.66Å; Y205-W238 HydrophobicContact CE1-CZ2 3.66Å; Y205-W238 AromaticContact CE2-CE2 3.89Å; Y205-W238 AromaticContact CE2-CH2 3.95Å; Y205-W238 HydrophobicContact CE2-CH2 3.95Å; Y205-W238 AromaticContact CE2-CZ2 3.3Å; Y205-W238 HydrophobicContact CE2-CZ2 3.3Å; Y205-W238 HydrophobicContact CG-CH2 4.1Å; Y205-W238 AromaticContact CG-CZ2 3.77Å; Y205-W238 HydrophobicContact CG-CZ2 3.77Å; Y205-W238 AromaticContact CZ-CE2 3.75Å; Y205-W238 AromaticContact CZ-CZ2 3.39Å; Y205-W238 AromaticContact CZ-NE1 3.68Å; Y205-W238 PolarHBondContact OH-NE1 3.21Å; L208-W238 HydrophobicContact CB-CH2 4.06Å; L208-W238 HydrophobicContact CB-CZ3 4.43Å; L208-W238 HydrophobicContact CD1-CH2 4.14Å; L208-W238 HydrophobicContact CD1-CZ3 4.06Å; V209-W238 HydrophobicContact CB-CZ2 4.23Å; V209-W238 HydrophobicContact CG1-CD2 3.88Å; V209-W238 VanDerWaalsContact CG1-CE2 3.41Å; V209-W238 HydrophobicContact CG1-CG 4.21Å; V209-W238 HydrophobicContact CG1-CH2 4.34Å; V209-W238 HydrophobicContact CG1-CZ2 3.66Å; V209-W238 HydrophobicContact CG2-CZ2 3.5Å; Y211-W238 AromaticContact CZ-NE1 3.91Å; Y211-W238 PolarHBondContact OH-NE1 3.33Å; Y211-W238 VanDerWaalsContact OH-NE1 3.15Å; F233-W238 HydrophobicContact CB-CB 3.88Å; F233-W238 HydrophobicContact CB-CD2 3.91Å; F233-W238 HydrophobicContact CB-CE3 4.24Å; F233-W238 HydrophobicContact CB-CG 3.74Å; F233-W238 AromaticContact CD1-CD2 3.52Å; F233-W238 HydrophobicContact CD1-CD2 3.52Å; F233-W238 AromaticContact CD1-CE2 3.73Å; F233-W238 AromaticContact CD1-CE3 3.4Å; F233-W238 HydrophobicContact CD1-CE3 3.4Å; F233-W238 VanDerWaalsContact CD1-CE3 3.4Å; F233-W238 HydrophobicContact CD1-CG 4.26Å; F233-W238 AromaticContact CD1-CH2 3.82Å; F233-W238 HydrophobicContact CD1-CH2 3.82Å; F233-W238 AromaticContact CD1-CZ2 3.9Å; F233-W238 HydrophobicContact CD1-CZ2 3.9Å; F233-W238 AromaticContact CD1-CZ3 3.55Å; F233-W238 HydrophobicContact CD1-CZ3 3.55Å; F233-W238 HydrophobicContact CE1-CD2 4.47Å; F233-W238 HydrophobicContact CE1-CE3 4.03Å; F233-W238 AromaticContact CE1-CH2 3.84Å; F233-W238 HydrophobicContact CE1-CH2 3.84Å; F233-W238 HydrophobicContact CE1-CZ2 4.27Å; F233-W238 AromaticContact CE1-CZ3 3.68Å; F233-W238 HydrophobicContact CE1-CZ3 3.68Å; F233-W238 HydrophobicContact CG-CD2 4.15Å; F233-W238 HydrophobicContact CG-CE3 4.11Å; F233-W238 HydrophobicContact CG-CG 4.48Å; P234-W238 VanDerWaalsContact CD-CD1 3.43Å; P234-W238 WeakPolarHBondContact O-CB 3.33Å; P234-W238 VanDerWaalsContact O-CD1 3.27Å; P234-W238 PolarHBondContact O-N 2.92Å; P236-W238 PolarHBondContact O-N 3.3Å; P236-W238 VanDerWaalsContact O-N 3.16Å; W238-T240 PolarHBondContact O-N 3.43Å; W238-V241 HydrophobicContact CD2-CG2 4.39Å; W238-V241 HydrophobicContact CE3-CB 3.76Å; W238-V241 HydrophobicContact CE3-CG1 3.71Å; W238-V241 HydrophobicContact CE3-CG2 3.85Å; W238-V241 HydrophobicContact CZ3-CB 4.27Å; W238-V241 HydrophobicContact CZ3-CG1 3.71Å; W238-V241 HydrophobicContact CZ3-CG2 4.34Å; W238-V241 PolarHBondContact O-N 3.4Å; W238-K246 HydrophobicContact CE3-CD 4.5Å; W238-K246 HydrophobicContact CE3-CG 3.96Å; W238-K246 HydrophobicContact CZ3-CG 4.1Å; W238-K246 WeakPolarHBondContact O-CE 3.32Å; W238-K246 PolarHBondContact O-NZ 2.72Å; W238-I249 HydrophobicContact CH2-CD1 3.54Å; W238-I249 HydrophobicContact CZ3-CD1 3.93Å
239D96.2Very high97.3Very high101 Ų10148.2 Ų48.254%0.5428%0.279SS..THydrogen-bonded Turntrans-62.9-32.4-176.8-65.4-15.6000111.5S235 P236S235-D239 VanDerWaalsContact CB-OD1 3.31Å; S235-D239 WeakPolarHBondContact CB-OD1 3.15Å; S235-D239 WeakPolarHBondContact CB-OD2 3.44Å; S235-D239 PolarHBondContact OG-OD1 3.04Å; S235-D239 PolarHBondContact OG-OD2 3.12Å; P236-D239 WeakPolarHBondContact O-CB 3.4Å; P236-D239 PolarHBondContact O-N 3.22Å
240T96.2Very high97.3Very high72 Ų7250.6 Ų50.644%0.44229%0.288SS..THydrogen-bonded Turntrans-89.2-1.5178.459.40000114.1W238 M282 R284W238-T240 PolarHBondContact O-N 3.43Å; T240-M282 HydrophobicContact CG2-CE 3.93Å; T240-R284 PolarHBondContact OG1-NH1 2.74Å
241V98.1Very high97.4Very high4 Ų451.2 Ų51.22%0.02428%0.281CS..SBendtrans-88.3130.8180177.90000110.7E110 L208 W238 A245 K246 R284E110-V241 VanDerWaalsContact OE1-CA 3.27Å; E110-V241 WeakPolarHBondContact OE1-CA 3.46Å; L208-V241 HydrophobicContact CD1-CG1 4.1Å; W238-V241 HydrophobicContact CD2-CG2 4.39Å; W238-V241 HydrophobicContact CE3-CB 3.76Å; W238-V241 HydrophobicContact CE3-CG1 3.71Å; W238-V241 HydrophobicContact CE3-CG2 3.85Å; W238-V241 HydrophobicContact CZ3-CB 4.27Å; W238-V241 HydrophobicContact CZ3-CG1 3.71Å; W238-V241 HydrophobicContact CZ3-CG2 4.34Å; W238-V241 PolarHBondContact O-N 3.4Å; V241-A245 HydrophobicContact CG1-CB 3.74Å; V241-K246 HydrophobicContact CG1-CG 4.27Å; V241-K246 VanDerWaalsContact O-CE 3.29Å; V241-K246 WeakPolarHBondContact O-CE 3.39Å; V241-K246 PolarHBondContact O-NZ 2.74Å; V241-K246 VanDerWaalsContact O-NZ 3.17Å; V241-R284 VanDerWaalsContact CG2-CZ 3.5Å; V241-R284 VanDerWaalsContact CG2-NH2 3.29Å
242T98.4Very high97.4Very high22 Ų2248.8 Ų48.814%0.13527%0.272CS..  trans-56.2144.2-175.658.10000113E110 E244 A245 K246 W271E110-T242 PolarHBondContact OE1-N 3.15Å; E110-T242 WeakPolarHBondContact OE2-CB 3.44Å; E110-T242 WeakPolarHBondContact OE2-CG2 3.32Å; E110-T242 PolarHBondContact OE2-OG1 3.38Å; T242-E244 PolarHBondContact O-N 2.89Å; T242-A245 PolarHBondContact O-N 2.84Å; T242-A245 WeakPolarHBondContact OG1-CB 3.47Å; T242-A245 PolarHBondContact OG1-N 3.34Å; T242-K246 PolarHBondContact O-N 3.16Å; T242-W271 PolarHBondContact OG1-NE1 3.33Å
243P98.5Very high97.4Very high91 Ų9144 Ų4459%0.59125%0.246SC*.Hα-helixtrans-54.9-34173-2635.1000113K246 N247P243-K246 PolarHBondContact O-N 2.9Å; P243-N247 VanDerWaalsContact O-CB 3.23Å; P243-N247 WeakPolarHBondContact O-CB 3.23Å; P243-N247 PolarHBondContact O-N 3.11Å
244E98.8Very high97.5Very high76 Ų7643.6 Ų43.636%0.35525%0.248SC..Hα-helixtrans-71.4-37.2-178.2-64.271.6-15800112T242 N247 L248 H269 W271 V278T242-E244 PolarHBondContact O-N 2.89Å; E244-N247 PolarHBondContact O-N 3.44Å; E244-L248 PolarHBondContact O-N 2.98Å; E244-H269 WeakPolarHBondContact CA-CE1 3.43Å; E244-H269 WeakPolarHBondContact CB-CE1 3.27Å; E244-H269 PolarHBondContact O-CE1 3.43Å; E244-W271 HydrophobicContact CB-CB 3.99Å; E244-W271 HydrophobicContact CB-CG 4.38Å; E244-V278 HydrophobicContact CB-CG1 3.71Å; E244-V278 HydrophobicContact CG-CG1 3.66Å
245A98.8Very high97.6Very high0 Ų044.4 Ų44.40%025%0.249CC..Hα-helixtrans-61.3-49.9170.900000111.6L208 V241 T242 N247 L248 I249 W271L208-A245 HydrophobicContact CD1-CB 3.77Å; V241-A245 HydrophobicContact CG1-CB 3.74Å; T242-A245 PolarHBondContact O-N 2.84Å; T242-A245 WeakPolarHBondContact OG1-CB 3.47Å; T242-A245 PolarHBondContact OG1-N 3.34Å; A245-N247 VanDerWaalsContact C-N 3.29Å; A245-N247 PolarHBondContact O-N 2.84Å; A245-L248 PolarHBondContact O-N 3.44Å; A245-I249 PolarHBondContact O-N 2.97Å; A245-W271 HydrophobicContact CB-CD2 4.19Å; A245-W271 HydrophobicContact CB-CG 4.36Å; A245-W271 HydrophobicContact CB-CZ2 4.04Å
246K98.8Very high97.8Very high46 Ų4644.1 Ų44.120%0.224%0.241CC..Hα-helixtrans-59.7-40.4176.4-66.3171.5-176.6165.50111.3F233 W238 V241 T242 P243 I249 N250F233-K246 HydrophobicContact CD1-CG 4.22Å; F233-K246 HydrophobicContact CD2-CB 4.32Å; F233-K246 HydrophobicContact CD2-CD 4.25Å; F233-K246 HydrophobicContact CD2-CG 4.18Å; F233-K246 HydrophobicContact CE1-CB 4.39Å; F233-K246 HydrophobicContact CE1-CG 4.18Å; F233-K246 HydrophobicContact CE2-CB 3.87Å; F233-K246 HydrophobicContact CE2-CG 4.16Å; F233-K246 HydrophobicContact CG-CD 4.33Å; F233-K246 HydrophobicContact CG-CG 4.21Å; F233-K246 HydrophobicContact CZ-CB 3.89Å; F233-K246 HydrophobicContact CZ-CG 4.15Å; W238-K246 HydrophobicContact CE3-CD 4.5Å; W238-K246 HydrophobicContact CE3-CG 3.96Å; W238-K246 HydrophobicContact CZ3-CG 4.1Å; W238-K246 WeakPolarHBondContact O-CE 3.32Å; W238-K246 PolarHBondContact O-NZ 2.72Å; V241-K246 HydrophobicContact CG1-CG 4.27Å; V241-K246 VanDerWaalsContact O-CE 3.29Å; V241-K246 WeakPolarHBondContact O-CE 3.39Å; V241-K246 PolarHBondContact O-NZ 2.74Å; V241-K246 VanDerWaalsContact O-NZ 3.17Å; T242-K246 PolarHBondContact O-N 3.16Å; P243-K246 PolarHBondContact O-N 2.9Å; K246-I249 PolarHBondContact O-N 2.88Å; K246-N250 PolarHBondContact O-N 3Å; K246-N250 PolarHBondContact O-ND2 3.27Å; K246-N250 PolarHBondContact O-OD1 2.7Å
247N98.8Very high98Very high70 Ų7041.5 Ų41.537%0.37422%0.224SC..Hα-helixtrans-63.5-43.5177.1-178.5-90.2000112.4P243 E244 A245 N250 Q251 H269P243-N247 VanDerWaalsContact O-CB 3.23Å; P243-N247 WeakPolarHBondContact O-CB 3.23Å; P243-N247 PolarHBondContact O-N 3.11Å; E244-N247 PolarHBondContact O-N 3.44Å; A245-N247 VanDerWaalsContact C-N 3.29Å; A245-N247 PolarHBondContact O-N 2.84Å; N247-N250 PolarHBondContact O-N 3.18Å; N247-Q251 WeakPolarHBondContact O-CG 3.25Å; N247-Q251 PolarHBondContact O-N 3.17Å; N247-Q251 PolarHBondContact OD1-NE2 3.02Å; N247-H269 PolarHBondContact OD1-NE2 2.84Å
248L98.9Very high98.3Very high0 Ų043.2 Ų43.20%025%0.247CC..Hα-helixtrans-63.4-43.1176-176.856.7000111.6L204 E244 A245 N250 Q251 M252 I261 A266 H269 W271 V272L204-L248 HydrophobicContact CD2-CB 4.39Å; L204-L248 HydrophobicContact CD2-CD2 3.84Å; L204-L248 HydrophobicContact CD2-CG 3.95Å; E244-L248 PolarHBondContact O-N 2.98Å; A245-L248 PolarHBondContact O-N 3.44Å; L248-N250 VanDerWaalsContact C-N 3.34Å; L248-N250 PolarHBondContact O-N 3.43Å; L248-Q251 PolarHBondContact O-N 3.39Å; L248-M252 HydrophobicContact CD1-CE 3.88Å; L248-M252 HydrophobicContact CD2-CE 4.23Å; L248-M252 HydrophobicContact CG-CE 3.94Å; L248-M252 WeakPolarHBondContact O-CG 3.27Å; L248-M252 PolarHBondContact O-N 2.88Å; L248-I261 HydrophobicContact CD1-CD1 4.09Å; L248-A266 HydrophobicContact CD1-CB 4.21Å; L248-H269 HydrophobicContact CD1-CB 3.94Å; L248-W271 HydrophobicContact CD2-CE3 3.89Å; L248-W271 HydrophobicContact CD2-CZ3 4.5Å; L248-V272 HydrophobicContact CD2-CG2 3.61Å
249I98.9Very high98.4Very high0 Ų051.1 Ų51.10%028%0.282CS..Hα-helixtrans-57.7-46.9173.4-71.2173.3000110.8L204 Y205 L208 Y231 F233 W238 A245 K246 Q251 M252 L253L204-I249 HydrophobicContact CB-CG1 4.34Å; L204-I249 HydrophobicContact CD2-CG1 3.71Å; L204-I249 HydrophobicContact CG-CD1 4.14Å; L204-I249 HydrophobicContact CG-CG1 3.79Å; Y205-I249 HydrophobicContact CD2-CD1 4.25Å; Y205-I249 HydrophobicContact CD2-CG2 4.19Å; L208-I249 HydrophobicContact CD1-CD1 3.84Å; Y231-I249 HydrophobicContact CE2-CG2 4.14Å; F233-I249 HydrophobicContact CE1-CB 4.4Å; F233-I249 HydrophobicContact CE1-CD1 4.28Å; F233-I249 HydrophobicContact CE1-CG2 3.98Å; F233-I249 HydrophobicContact CZ-CB 4.23Å; F233-I249 HydrophobicContact CZ-CG2 3.92Å; W238-I249 HydrophobicContact CH2-CD1 3.54Å; W238-I249 HydrophobicContact CZ3-CD1 3.93Å; A245-I249 PolarHBondContact O-N 2.97Å; K246-I249 PolarHBondContact O-N 2.88Å; I249-Q251 VanDerWaalsContact C-N 3.29Å; I249-Q251 PolarHBondContact O-N 3.41Å; I249-M252 PolarHBondContact O-N 3.46Å; I249-M252 VanDerWaalsContact O-N 3.13Å; I249-L253 HydrophobicContact CG2-CD1 3.7Å; I249-L253 HydrophobicContact CG2-CG 4.16Å; I249-L253 WeakPolarHBondContact O-CB 3.32Å; I249-L253 PolarHBondContact O-N 2.7Å
250N98.9Very high98.5Very high65 Ų6546.9 Ų46.935%0.34826%0.258SS..Hα-helixtrans-59.9-39.2178.5-67.7-14.4000112.5Y231 F233 K246 N247 L248 T254Y231-N250 WeakPolarHBondContact OH-CA 3.21Å; Y231-N250 PolarHBondContact OH-OD1 3.33Å; F233-N250 VanDerWaalsContact CE2-OD1 3.27Å; F233-N250 WeakPolarHBondContact CE2-OD1 3.23Å; F233-N250 VanDerWaalsContact CZ-OD1 3.28Å; F233-N250 WeakPolarHBondContact CZ-OD1 3.29Å; K246-N250 PolarHBondContact O-N 3Å; K246-N250 PolarHBondContact O-ND2 3.27Å; K246-N250 PolarHBondContact O-OD1 2.7Å; N247-N250 PolarHBondContact O-N 3.18Å; L248-N250 VanDerWaalsContact C-N 3.34Å; L248-N250 PolarHBondContact O-N 3.43Å; N250-T254 PolarHBondContact O-N 2.8Å; N250-T254 PolarHBondContact O-OG1 3.21Å
251Q98.9Very high98.6Very high70 Ų7043.9 Ų43.933%0.32724%0.239SC..Hα-helixtrans-69.3-32.3176.9-72.4-168.570.800113N247 L248 I249 I261 H269N247-Q251 WeakPolarHBondContact O-CG 3.25Å; N247-Q251 PolarHBondContact O-N 3.17Å; N247-Q251 PolarHBondContact OD1-NE2 3.02Å; L248-Q251 PolarHBondContact O-N 3.39Å; I249-Q251 VanDerWaalsContact C-N 3.29Å; I249-Q251 PolarHBondContact O-N 3.41Å; Q251-I261 HydrophobicContact CB-CB 4.03Å; Q251-I261 HydrophobicContact CB-CD1 4.23Å; Q251-I261 HydrophobicContact CB-CG2 4.04Å; Q251-I261 WeakPolarHBondContact O-CG2 3.28Å; Q251-I261 PolarHBondContact O-N 3.43Å; Q251-H269 PolarHBondContact NE2-NE2 3.41Å
252M98.9Very high98.7Very high0 Ų046.6 Ų46.60%026%0.256CS..Hα-helixtrans-78.5-42.4174.2-68.3-176.3175.900113.1L121 I197 C200 L204 L248 I249 T254 R260 I261 A266L121-M252 HydrophobicContact CD1-CE 3.88Å; L121-M252 HydrophobicContact CD2-CE 3.9Å; L121-M252 HydrophobicContact CG-CE 4.38Å; I197-M252 HydrophobicContact CG2-CB 4.21Å; I197-M252 HydrophobicContact CG2-CG 3.86Å; C200-M252 HydrophobicContact CB-CE 4.48Å; C200-M252 HydrophobicContact CB-SD 4.05Å; L204-M252 HydrophobicContact CD2-SD 4.21Å; L248-M252 HydrophobicContact CD1-CE 3.88Å; L248-M252 HydrophobicContact CD2-CE 4.23Å; L248-M252 HydrophobicContact CG-CE 3.94Å; L248-M252 WeakPolarHBondContact O-CG 3.27Å; L248-M252 PolarHBondContact O-N 2.88Å; I249-M252 PolarHBondContact O-N 3.46Å; I249-M252 VanDerWaalsContact O-N 3.13Å; M252-T254 PolarHBondContact O-N 3.45Å; M252-R260 WeakPolarHBondContact O-CD 3.21Å; M252-R260 VanDerWaalsContact O-CG 3.25Å; M252-R260 WeakPolarHBondContact O-CG 3.39Å; M252-R260 PolarHBondContact O-NE 3.42Å; M252-I261 HydrophobicContact CB-CG2 4.47Å; M252-I261 HydrophobicContact CG-CG2 3.77Å; M252-A266 HydrophobicContact CE-CB 3.86Å
253L98.9Very high98.7Very high3 Ų345.6 Ų45.62%0.01625%0.25CS..SBendtrans-85.725.5178-60.8-175.2000112.6W198 V202 P213 F214 Y231 I249 I255W198-L253 HydrophobicContact CD2-CD2 3.93Å; W198-L253 HydrophobicContact CE3-CD2 4.12Å; W198-L253 HydrophobicContact CG-CD2 4.4Å; W198-L253 HydrophobicContact CH2-CD2 4.49Å; W198-L253 HydrophobicContact CZ2-CD2 4.31Å; W198-L253 VanDerWaalsContact CZ3-C 3.49Å; W198-L253 HydrophobicContact CZ3-CB 4.23Å; W198-L253 HydrophobicContact CZ3-CD2 4.4Å; W198-L253 VanDerWaalsContact CZ3-O 3.27Å; W198-L253 WeakPolarHBondContact CZ3-O 3.37Å; V202-L253 HydrophobicContact CG2-CD2 3.9Å; P213-L253 HydrophobicContact CB-CD1 4.35Å; P213-L253 HydrophobicContact CG-CD1 4.28Å; F214-L253 HydrophobicContact CE2-CD1 4.35Å; F214-L253 HydrophobicContact CE2-CD2 4.25Å; F214-L253 HydrophobicContact CZ-CD1 4.36Å; Y231-L253 HydrophobicContact CD1-CB 4.42Å; Y231-L253 HydrophobicContact CD1-CD1 3.97Å; Y231-L253 HydrophobicContact CD2-CD1 4.15Å; Y231-L253 HydrophobicContact CE1-CB 3.6Å; Y231-L253 HydrophobicContact CE1-CD1 3.84Å; Y231-L253 HydrophobicContact CE1-CG 4.38Å; Y231-L253 HydrophobicContact CE2-CD1 4.02Å; Y231-L253 HydrophobicContact CG-CD1 4.14Å; I249-L253 HydrophobicContact CG2-CD1 3.7Å; I249-L253 HydrophobicContact CG2-CG 4.16Å; I249-L253 WeakPolarHBondContact O-CB 3.32Å; I249-L253 PolarHBondContact O-N 2.7Å; L253-I255 PolarHBondContact O-N 3.24Å
254T98.9Very high98.7Very high41 Ų4145.8 Ų45.825%0.25224%0.243SC..  trans-71.9123.8172.2-74.40000110.2N250 M252 N256 K259 R260N250-T254 PolarHBondContact O-N 2.8Å; N250-T254 PolarHBondContact O-OG1 3.21Å; M252-T254 PolarHBondContact O-N 3.45Å; T254-N256 PolarHBondContact O-N 3.27Å; T254-K259 HydrophobicContact CG2-CB 3.89Å; T254-R260 PolarHBondContact O-NE 2.65Å; T254-R260 PolarHBondContact O-NH2 3.06Å
255I98.7Very high98.7Very high60 Ų6047.1 Ų47.131%0.30825%0.249SC..SBendtrans-63.3-38.5-172.3-60.6172000112.8P183 A228 L253 P257 R260P183-I255 HydrophobicContact CB-CG2 4.14Å; P183-I255 HydrophobicContact CG-CG2 4.26Å; A228-I255 VanDerWaalsContact O-CD1 3.23Å; A228-I255 WeakPolarHBondContact O-CD1 3.24Å; L253-I255 PolarHBondContact O-N 3.24Å; I255-P257 WeakPolarHBondContact O-CD 3.47Å; I255-R260 PolarHBondContact O-NH2 3.4Å
256N98.4Very high98.7Very high75 Ų7547.1 Ų47.140%0.40125%0.249SC..SBendtrans-83.6113.6178.5-179.5-24.1000109.3T254 A258 K259 R260T254-N256 PolarHBondContact O-N 3.27Å; N256-A258 PolarHBondContact O-N 3.12Å; N256-A258 WeakPolarHBondContact OD1-CB 2.94Å; N256-A258 PolarHBondContact OD1-N 3.24Å; N256-K259 HydrophobicContact CB-CB 4.34Å; N256-K259 HydrophobicContact CB-CG 4.4Å; N256-K259 PolarHBondContact O-N 2.96Å; N256-R260 PolarHBondContact O-N 2.92Å; N256-R260 VanDerWaalsContact O-N 3.15Å
257P98.3Very high98.7Very high24 Ų2446.8 Ų46.816%0.15625%0.249CC..THydrogen-bonded Turntrans-62.5-26-175.725.4-34.5000113.4E184 P194 I255 K259 R260E184-P257 HydrophobicContact CB-CG 4.43Å; E184-P257 HydrophobicContact CG-CG 4.31Å; P194-P257 HydrophobicContact CB-CB 3.75Å; P194-P257 HydrophobicContact CG-CB 4.17Å; I255-P257 WeakPolarHBondContact O-CD 3.47Å; P257-K259 VanDerWaalsContact C-N 3.27Å; P257-K259 PolarHBondContact O-N 3.36Å; P257-R260 PolarHBondContact O-N 3.43Å
258A97.7Very high98.7Very high88 Ų8849.6 Ų49.673%0.72726%0.258SS*.THydrogen-bonded Turntrans-77.3-10.4176.200000113.9N256N256-A258 PolarHBondContact O-N 3.12Å; N256-A258 WeakPolarHBondContact OD1-CB 2.94Å; N256-A258 PolarHBondContact OD1-N 3.24Å
259K98.5Very high98.7Very high165 Ų16550.4 Ų50.472%0.71726%0.262SS*.THydrogen-bonded Turntrans-109.1-5.2172.5-63.7-171.5177.6-173.60113T254 N256 P257T254-K259 HydrophobicContact CG2-CB 3.89Å; N256-K259 HydrophobicContact CB-CB 4.34Å; N256-K259 HydrophobicContact CB-CG 4.4Å; N256-K259 PolarHBondContact O-N 2.96Å; P257-K259 VanDerWaalsContact C-N 3.27Å; P257-K259 PolarHBondContact O-N 3.36Å
260R98.8Very high98.6Very high12 Ų1253.2 Ų53.25%0.04528%0.28CS..SBendtrans-73140.1178.6-166.5178.3-61.4146.87.9108.9E184 P194 I197 M252 T254 I255 N256 P257E184-R260 IonicContact OE1-CZ 3.7Å; E184-R260 IonicContact OE1-NH1 3.77Å; E184-R260 PolarHBondContact OE1-NH1 2.88Å; E184-R260 IonicContact OE1-NH2 2.83Å; E184-R260 PolarHBondContact OE1-NH2 3.23Å; E184-R260 IonicContact OE2-CZ 2.9Å; E184-R260 IonicContact OE2-NH1 3.77Å; E184-R260 IonicContact OE2-NH2 3.93Å; E184-R260 PolarHBondContact OE2-NH2 3.18Å; P194-R260 WeakPolarHBondContact O-CD 3.35Å; P194-R260 PolarHBondContact O-NH1 3.18Å; I197-R260 HydrophobicContact CB-CG 4.49Å; I197-R260 HydrophobicContact CG2-CG 4.39Å; M252-R260 WeakPolarHBondContact O-CD 3.21Å; M252-R260 VanDerWaalsContact O-CG 3.25Å; M252-R260 WeakPolarHBondContact O-CG 3.39Å; M252-R260 PolarHBondContact O-NE 3.42Å; T254-R260 PolarHBondContact O-NE 2.65Å; T254-R260 PolarHBondContact O-NH2 3.06Å; I255-R260 PolarHBondContact O-NH2 3.4Å; N256-R260 PolarHBondContact O-N 2.92Å; N256-R260 VanDerWaalsContact O-N 3.15Å; P257-R260 PolarHBondContact O-N 3.43Å
261I98.8Very high98.6Very high9 Ų950.1 Ų50.15%0.04626%0.264CS..PPolyproline II helixtrans-58146.8177.3-163.9171000111I197 L248 Q251 M252 Q265 A266I197-I261 HydrophobicContact CG2-CG2 3.89Å; I197-I261 WeakPolarHBondContact CG2-O 3.48Å; L248-I261 HydrophobicContact CD1-CD1 4.09Å; Q251-I261 HydrophobicContact CB-CB 4.03Å; Q251-I261 HydrophobicContact CB-CD1 4.23Å; Q251-I261 HydrophobicContact CB-CG2 4.04Å; Q251-I261 WeakPolarHBondContact O-CG2 3.28Å; Q251-I261 PolarHBondContact O-N 3.43Å; M252-I261 HydrophobicContact CB-CG2 4.47Å; M252-I261 HydrophobicContact CG-CG2 3.77Å; I261-Q265 HydrophobicContact CD1-CB 4.07Å; I261-Q265 HydrophobicContact CG1-CB 3.44Å; I261-Q265 VanDerWaalsContact CG1-CB 3.44Å; I261-A266 HydrophobicContact CD1-CB 3.95Å; I261-A266 HydrophobicContact CG1-CB 4.28Å; I261-A266 HydrophobicContact CG2-CB 4.42Å
262T98.9Very high98.6Very high62 Ų6246.9 Ų46.938%0.3825%0.249SC..PPolyproline II helixtrans-86.5164.4171.571.70000111.3E264 Q265 A266T262-E264 VanDerWaalsContact C-N 3.3Å; T262-E264 PolarHBondContact O-N 3.31Å; T262-Q265 PolarHBondContact O-N 2.9Å; T262-Q265 VanDerWaalsContact OG1-CG 3.29Å; T262-Q265 WeakPolarHBondContact OG1-CG 3.08Å; T262-Q265 PolarHBondContact OG1-N 2.81Å; T262-A266 WeakPolarHBondContact O-CB 3.1Å; T262-A266 PolarHBondContact O-N 3.01Å
263A98.7Very high98.5Very high1 Ų149.8 Ų49.81%0.00827%0.268CS..Hα-helixtrans-58.5-43174.500000111.8L121 V124 N125 I197 Q265 A266 L267L121-A263 HydrophobicContact CD2-CB 4.46Å; V124-A263 HydrophobicContact CG1-CB 4.18Å; N125-A263 HydrophobicContact CB-CB 3.72Å; I197-A263 HydrophobicContact CD1-CB 3.76Å; A263-Q265 VanDerWaalsContact C-N 3.35Å; A263-Q265 PolarHBondContact O-N 3.32Å; A263-A266 PolarHBondContact O-N 3.41Å; A263-L267 WeakPolarHBondContact O-CG 3.45Å; A263-L267 PolarHBondContact O-N 3.49Å
264E98.5Very high98.3Very high95 Ų9554.8 Ų54.844%0.44429%0.291SS..Hα-helixtrans-60.9-40.4177-159.9-155.2162.100112.7N125 T262 K268N125-E264 WeakPolarHBondContact OD1-CB 3.49Å; N125-E264 PolarHBondContact OD1-N 3.48Å; T262-E264 VanDerWaalsContact C-N 3.3Å; T262-E264 PolarHBondContact O-N 3.31Å; E264-K268 WeakPolarHBondContact O-CG 3.46Å; E264-K268 IonicContact OE1-NZ 3.79Å; E264-K268 PolarHBondContact OE1-NZ 3.4Å
265Q98.8Very high98.1Very high103 Ų10356 Ų5648%0.48129%0.291SS..Hα-helixtrans-70.7-40.3176.4-72167.5-11.600111.5I261 T262 A263 L267 K268 H269I261-Q265 HydrophobicContact CD1-CB 4.07Å; I261-Q265 HydrophobicContact CG1-CB 3.44Å; I261-Q265 VanDerWaalsContact CG1-CB 3.44Å; T262-Q265 PolarHBondContact O-N 2.9Å; T262-Q265 VanDerWaalsContact OG1-CG 3.29Å; T262-Q265 WeakPolarHBondContact OG1-CG 3.08Å; T262-Q265 PolarHBondContact OG1-N 2.81Å; A263-Q265 VanDerWaalsContact C-N 3.35Å; A263-Q265 PolarHBondContact O-N 3.32Å; Q265-L267 VanDerWaalsContact C-N 3.35Å; Q265-L267 PolarHBondContact O-N 3.12Å; Q265-K268 CarbonylContact O-C 3.56Å; Q265-K268 PolarHBondContact O-N 3.24Å; Q265-K268 VanDerWaalsContact O-N 3.09Å; Q265-H269 PolarHBondContact O-N 3.42Å
266A98.8Very high97.7Very high0 Ų057.9 Ų57.90%031%0.31CS..Hα-helixtrans-64.5-36.9178.400000112.4L121 L248 M252 I261 T262 A263 K268 H269L121-A266 HydrophobicContact CD1-CB 3.74Å; L121-A266 HydrophobicContact CD2-CB 3.98Å; L121-A266 HydrophobicContact CG-CB 4.49Å; L248-A266 HydrophobicContact CD1-CB 4.21Å; M252-A266 HydrophobicContact CE-CB 3.86Å; I261-A266 HydrophobicContact CD1-CB 3.95Å; I261-A266 HydrophobicContact CG1-CB 4.28Å; I261-A266 HydrophobicContact CG2-CB 4.42Å; T262-A266 WeakPolarHBondContact O-CB 3.1Å; T262-A266 PolarHBondContact O-N 3.01Å; A263-A266 PolarHBondContact O-N 3.41Å; A266-K268 PolarHBondContact O-N 2.91Å; A266-H269 VanDerWaalsContact O-CB 3.24Å; A266-H269 WeakPolarHBondContact O-CB 3.34Å; A266-H269 PolarHBondContact O-N 3.15Å; A266-H269 VanDerWaalsContact O-N 3.11Å
267L98.7Very high97.5Very high39 Ų3960 Ų6020%0.20433%0.326CS..Hα-helixtrans-62.7-26.5172.5-73169.2000113.4L121 E122 N125 A263 Q265L121-L267 HydrophobicContact CB-CD1 4.49Å; L121-L267 HydrophobicContact CB-CD2 3.56Å; L121-L267 HydrophobicContact CB-CG 3.83Å; L121-L267 HydrophobicContact CD1-CD2 4.46Å; E122-L267 HydrophobicContact CG-CD1 4.4Å; E122-L267 HydrophobicContact CG-CD2 3.88Å; N125-L267 HydrophobicContact CB-CD1 4.04Å; A263-L267 WeakPolarHBondContact O-CG 3.45Å; A263-L267 PolarHBondContact O-N 3.49Å; Q265-L267 VanDerWaalsContact C-N 3.35Å; Q265-L267 PolarHBondContact O-N 3.12Å
268K98.6Very high97.3Very high129 Ų12960.5 Ų60.556%0.56133%0.328SS*.THydrogen-bonded Turntrans-90.6-2.3176.9-62.5170.6-167.7174.30112.9E264 Q265 A266 C273E264-K268 WeakPolarHBondContact O-CG 3.46Å; E264-K268 IonicContact OE1-NZ 3.79Å; E264-K268 PolarHBondContact OE1-NZ 3.4Å; Q265-K268 CarbonylContact O-C 3.56Å; Q265-K268 PolarHBondContact O-N 3.24Å; Q265-K268 VanDerWaalsContact O-N 3.09Å; A266-K268 PolarHBondContact O-N 2.91Å; K268-C273 PolarHBondContact O-SG 2.67Å; K268-C273 VanDerWaalsContact O-SG 3.37Å
269H98.8Very high97.1Very high18 Ų1856.7 Ų56.78%0.08330%0.297CS..SBendtrans-68.2136.5179.4-171.4-81.8000110.8E244 N247 L248 Q251 Q265 A266 W271 V272 C273E244-H269 WeakPolarHBondContact CA-CE1 3.43Å; E244-H269 WeakPolarHBondContact CB-CE1 3.27Å; E244-H269 PolarHBondContact O-CE1 3.43Å; N247-H269 PolarHBondContact OD1-NE2 2.84Å; L248-H269 HydrophobicContact CD1-CB 3.94Å; Q251-H269 PolarHBondContact NE2-NE2 3.41Å; Q265-H269 PolarHBondContact O-N 3.42Å; A266-H269 VanDerWaalsContact O-CB 3.24Å; A266-H269 WeakPolarHBondContact O-CB 3.34Å; A266-H269 PolarHBondContact O-N 3.15Å; A266-H269 VanDerWaalsContact O-N 3.11Å; H269-W271 PolarHBondContact ND1-N 3.06Å; H269-W271 VanDerWaalsContact ND1-N 3.19Å; H269-W271 PolarHBondContact O-N 2.94Å; H269-W271 VanDerWaalsContact O-N 3.09Å; H269-V272 WeakPolarHBondContact O-CA 3.47Å; H269-V272 PolarHBondContact O-N 3.13Å; H269-C273 PolarHBondContact O-N 3.12Å; H269-C273 PolarHBondContact O-SG 2.93Å
270P98.2Very high96.9Very high58 Ų5850.2 Ų50.238%0.37727%0.272SS..Hα-helixtrans-52-35.8-175.3-30.436.4000115.2V272 H274 V278P270-V272 PolarHBondContact O-N 3.26Å; P270-H274 CarbonylContact O-C 3.51Å; P270-H274 WeakPolarHBondContact O-CA 3.38Å; P270-H274 WeakPolarHBondContact O-CB 3.4Å; P270-H274 PolarHBondContact O-N 2.88Å; P270-V278 HydrophobicContact CB-CG2 4.29Å
271W98.6Very high96.7Very high0 Ų054.9 Ų54.90%030%0.296CS..Hα-helixtrans-67.6-22.4179-16882000113.4E110 A113 S114 I117 L204 L208 T242 E244 A245 L248 H269 V278E110-W271 HydrophobicContact CB-CZ2 3.88Å; E110-W271 HydrophobicContact CG-CZ2 4.23Å; E110-W271 WeakPolarHBondContact O-CZ2 3.22Å; E110-W271 PolarHBondContact OE2-NE1 3.06Å; A113-W271 HydrophobicContact CB-CH2 4.02Å; S114-W271 VanDerWaalsContact CA-CZ3 3.47Å; S114-W271 PolarHBondContact OG-O 3.38Å; I117-W271 HydrophobicContact CG2-CZ3 3.88Å; L204-W271 HydrophobicContact CD1-CH2 3.64Å; L204-W271 HydrophobicContact CD1-CZ3 3.55Å; L204-W271 HydrophobicContact CD2-CZ3 4.36Å; L208-W271 HydrophobicContact CD2-CH2 3.98Å; L208-W271 HydrophobicContact CD2-CZ2 3.84Å; T242-W271 PolarHBondContact OG1-NE1 3.33Å; E244-W271 HydrophobicContact CB-CB 3.99Å; E244-W271 HydrophobicContact CB-CG 4.38Å; A245-W271 HydrophobicContact CB-CD2 4.19Å; A245-W271 HydrophobicContact CB-CG 4.36Å; A245-W271 HydrophobicContact CB-CZ2 4.04Å; L248-W271 HydrophobicContact CD2-CE3 3.89Å; L248-W271 HydrophobicContact CD2-CZ3 4.5Å; H269-W271 PolarHBondContact ND1-N 3.06Å; H269-W271 VanDerWaalsContact ND1-N 3.19Å; H269-W271 PolarHBondContact O-N 2.94Å; H269-W271 VanDerWaalsContact O-N 3.09Å; W271-V278 HydrophobicContact CB-CG1 4.28Å
272V98.3Very high96.4Very high3 Ų358.7 Ų58.72%0.01832%0.315CS..Hα-helixtrans-94.7-53.6176.5-177.10000111.1I117 L248 H269 P270 R275I117-V272 HydrophobicContact CG2-CG2 4.21Å; L248-V272 HydrophobicContact CD2-CG2 3.61Å; H269-V272 WeakPolarHBondContact O-CA 3.47Å; H269-V272 PolarHBondContact O-N 3.13Å; P270-V272 PolarHBondContact O-N 3.26Å; V272-R275 PolarHBondContact O-NH1 3.48Å
273C96.4Very high96.2Very high61 Ų6158.7 Ų58.741%0.41231%0.31SS..Hα-helixtrans-79.7-29.3-172.5670000113.8K268 H269K268-C273 PolarHBondContact O-SG 2.67Å; K268-C273 VanDerWaalsContact O-SG 3.37Å; H269-C273 PolarHBondContact O-N 3.12Å; H269-C273 PolarHBondContact O-SG 2.93Å
274H95.6Very high95.9Very high108 Ų10859.2 Ų59.250%0.531%0.312SS..THydrogen-bonded Turntrans-111.132.5177-55.3151.9000111.8P270 S276 T277 V278P270-H274 CarbonylContact O-C 3.51Å; P270-H274 WeakPolarHBondContact O-CA 3.38Å; P270-H274 WeakPolarHBondContact O-CB 3.4Å; P270-H274 PolarHBondContact O-N 2.88Å; H274-S276 PolarHBondContact O-N 2.68Å; H274-T277 PolarHBondContact O-N 3.31Å; H274-T277 PolarHBondContact O-OG1 3.13Å; H274-V278 HydrophobicContact CB-CG2 3.82Å; H274-V278 PolarHBondContact O-N 2.96Å
275R94.4Very high95.4Very high66 Ų6658.7 Ų58.725%0.24931%0.309CS..Hα-helixtrans-42.9-39.7-179.8170.5176.445.2-91-2.1114.7A111 S114 V272 T277 A279A111-R275 HydrophobicContact CB-CG 3.97Å; A111-R275 WeakPolarHBondContact O-CD 3.38Å; S114-R275 WeakPolarHBondContact OG-CB 3.36Å; S114-R275 WeakPolarHBondContact OG-CD 3.44Å; S114-R275 PolarHBondContact OG-NH1 2.96Å; V272-R275 PolarHBondContact O-NH1 3.48Å; R275-T277 PolarHBondContact O-N 2.85Å; R275-A279 HydrophobicContact CG-CB 4.09Å; R275-A279 WeakPolarHBondContact O-CB 3.48Å; R275-A279 PolarHBondContact O-N 3.22Å; R275-A279 VanDerWaalsContact O-N 3.14Å
276S90.5Very high94.9Very high100 Ų10059.4 Ų59.470%0.69931%0.313SS*.Hα-helixtrans-67.4-18.3-177.549.30000114.7H274H274-S276 PolarHBondContact O-N 2.68Å
277T92.9Very high94.5Very high119 Ų11959.6 Ų59.673%0.7331%0.314SS*.Hα-helixtrans-119.8-22.2179.1560000113.5H274 R275H274-T277 PolarHBondContact O-N 3.31Å; H274-T277 PolarHBondContact O-OG1 3.13Å; R275-T277 PolarHBondContact O-N 2.85Å
278V94.6Very high93.9Very high34 Ų3457.8 Ų57.821%0.20630%0.304CS..Hα-helixtrans-102.8-36.9-175.3-179.30000113.2E244 P270 W271 H274E244-V278 HydrophobicContact CB-CG1 3.71Å; E244-V278 HydrophobicContact CG-CG1 3.66Å; P270-V278 HydrophobicContact CB-CG2 4.29Å; W271-V278 HydrophobicContact CB-CG1 4.28Å; H274-V278 HydrophobicContact CB-CG2 3.82Å; H274-V278 PolarHBondContact O-N 2.96Å
279A94.3Very high92.9Very high8 Ų855.4 Ų55.47%0.06630%0.295CS..SBendtrans-85.8136.9-176.700000111.2E110 A111 R275 M281E110-A279 HydrophobicContact CB-CB 4.14Å; A111-A279 HydrophobicContact CB-CB 4.31Å; R275-A279 HydrophobicContact CG-CB 4.09Å; R275-A279 WeakPolarHBondContact O-CB 3.48Å; R275-A279 PolarHBondContact O-N 3.22Å; R275-A279 VanDerWaalsContact O-N 3.14Å; A279-M281 PolarHBondContact O-N 3.13Å
280S94.6Very high91.9Very high30 Ų3056.2 Ų56.221%0.2130%0.302CS..  trans-63.9128.9-179.4-175.70000113.3E110 A111 M282E110-S280 WeakPolarHBondContact CB-O 3.42Å; E110-S280 PolarHBondContact N-O 2.57Å; E110-S280 VanDerWaalsContact N-O 3.12Å; E110-S280 PolarHBondContact OE2-N 3.23Å; A111-S280 PolarHBondContact N-O 3.07Å; S280-M282 VanDerWaalsContact C-N 3.27Å; S280-M282 WeakPolarHBondContact OG-CB 3.49Å; S280-M282 PolarHBondContact OG-N 2.83Å
281M94.4Very high91.2Very high110 Ų11053.4 Ų53.454%0.54229%0.285SS..  trans-90.920.7170.6-61.4-73.2178.300112.1Y107 A111 A279Y107-M281 PolarHBondContact OH-O 3.28Å; A111-M281 HydrophobicContact CB-CE 3.53Å; A111-M281 HydrophobicContact CB-SD 3.49Å; A111-M281 WeakPolarHBondContact CB-SD 3.47Å; A279-M281 PolarHBondContact O-N 3.13Å
282M92.8Very high90.3Very high88 Ų8859 Ų5943%0.43331%0.306SS..SBendtrans-80.9137.5172.8-164.3-178.674.500110.2T240 S280T240-M282 HydrophobicContact CG2-CE 3.93Å; S280-M282 VanDerWaalsContact C-N 3.27Å; S280-M282 WeakPolarHBondContact OG-CB 3.49Å; S280-M282 PolarHBondContact OG-N 2.83Å
283H93.8Very high89Confident62 Ų6265.7 Ų65.729%0.28733%0.334SS..  trans-70.6132.2173.4-17731.6000111.2E106 Y107 Y108 Q285E106-H283 PolarHBondContact O-NE2 3.33Å; Y107-H283 HydrophobicContact CD2-CB 3.75Å; Y107-H283 AromaticContact CD2-CG 3.96Å; Y107-H283 HydrophobicContact CE2-CB 3.7Å; Y108-H283 PolarHBondContact N-ND1 2.67Å; Y108-H283 VanDerWaalsContact N-ND1 3.14Å; Y108-H283 WeakPolarHBondContact O-CA 3.48Å; Y108-H283 PolarHBondContact O-ND1 3.2Å; H283-Q285 PolarHBondContact NE2-OE1 2.79Å
284R92.4Very high88Confident12 Ų1264.2 Ų64.25%0.04532%0.321CS..  trans-109.568.9-178.1-56-175.762.7717.1112.1Y108 L208 E237 T240 V241 E286 T287 V288Y108-R284 PolarHBondContact O-N 3.15Å; L208-R284 PolarHBondContact O-NE 3.32Å; L208-R284 PolarHBondContact O-NH2 3.28Å; E237-R284 PolarHBondContact O-NH2 3.44Å; T240-R284 PolarHBondContact OG1-NH1 2.74Å; V241-R284 VanDerWaalsContact CG2-CZ 3.5Å; V241-R284 VanDerWaalsContact CG2-NH2 3.29Å; R284-E286 VanDerWaalsContact C-N 3.35Å; R284-E286 PolarHBondContact O-N 2.79Å; R284-T287 PolarHBondContact NE-OG1 2.99Å; R284-T287 VanDerWaalsContact O-CB 3.3Å; R284-T287 WeakPolarHBondContact O-CB 3.48Å; R284-T287 PolarHBondContact O-N 2.67Å; R284-T287 VanDerWaalsContact O-N 3.15Å; R284-V288 PolarHBondContact O-N 2.9Å
285Q88.8Confident86.9Confident84 Ų8459.3 Ų59.339%0.39330%0.299SS..Hα-helixtrans-56.3-43.3-178.4175.860.119.700113.2H283 T287 V288 E289H283-Q285 PolarHBondContact NE2-OE1 2.79Å; Q285-T287 VanDerWaalsContact C-N 3.26Å; Q285-T287 PolarHBondContact O-N 3.22Å; Q285-V288 WeakPolarHBondContact O-CB 3.5Å; Q285-V288 PolarHBondContact O-N 2.81Å; Q285-V288 VanDerWaalsContact O-N 3.09Å; Q285-E289 PolarHBondContact NE2-OE1 3.27Å; Q285-E289 PolarHBondContact O-N 2.94Å; Q285-E289 VanDerWaalsContact O-N 3.12Å
286E87.1Confident85.5Confident119 Ų11959.2 Ų59.256%0.55631%0.312SS*.Hα-helixtrans-60-36.6178.7-63.9175.416500112.3R284 E289 C290R284-E286 VanDerWaalsContact C-N 3.35Å; R284-E286 PolarHBondContact O-N 2.79Å; E286-E289 PolarHBondContact O-N 3.4Å; E286-C290 WeakPolarHBondContact O-CB 3.35Å; E286-C290 PolarHBondContact O-N 2.8Å; E286-C290 PolarHBondContact O-SG 2.73Å
287T89.8Confident84.4Confident3 Ų359.4 Ų59.42%0.01830%0.297CS..Hα-helixtrans-62.6-43.2175-60.40000111.4Y108 L208 R284 Q285 E289 C290 L291Y108-T287 HydrophobicContact CD1-CG2 4.39Å; Y108-T287 HydrophobicContact CE1-CG2 4.16Å; L208-T287 WeakPolarHBondContact O-CG2 3.36Å; L208-T287 PolarHBondContact O-OG1 3.45Å; R284-T287 PolarHBondContact NE-OG1 2.99Å; R284-T287 VanDerWaalsContact O-CB 3.3Å; R284-T287 WeakPolarHBondContact O-CB 3.48Å; R284-T287 PolarHBondContact O-N 2.67Å; R284-T287 VanDerWaalsContact O-N 3.15Å; Q285-T287 VanDerWaalsContact C-N 3.26Å; Q285-T287 PolarHBondContact O-N 3.22Å; T287-E289 VanDerWaalsContact C-N 3.31Å; T287-E289 PolarHBondContact O-N 3.4Å; T287-C290 PolarHBondContact O-N 3.3Å; T287-L291 VanDerWaalsContact O-CB 3.24Å; T287-L291 WeakPolarHBondContact O-CB 3.25Å; T287-L291 PolarHBondContact O-N 2.85Å
288V86.4Confident83.7Confident1 Ų154.8 Ų54.81%0.00627%0.266CS..Hα-helixtrans-62-39.8177.11760000111Y108 R284 Q285 R292Y108-V288 HydrophobicContact CD1-CG2 4.34Å; Y108-V288 HydrophobicContact CG-CG2 4.47Å; R284-V288 PolarHBondContact O-N 2.9Å; Q285-V288 WeakPolarHBondContact O-CB 3.5Å; Q285-V288 PolarHBondContact O-N 2.81Å; Q285-V288 VanDerWaalsContact O-N 3.09Å; V288-R292 PolarHBondContact O-N 3.41Å
289E77.9Confident82.4Confident80 Ų8057.5 Ų57.537%0.37428%0.275SS..Hα-helixtrans-72.1-40.7177.8-68.5-176.3-162.900113.9Q285 E286 T287 L291 R292 K293Q285-E289 PolarHBondContact NE2-OE1 3.27Å; Q285-E289 PolarHBondContact O-N 2.94Å; Q285-E289 VanDerWaalsContact O-N 3.12Å; E286-E289 PolarHBondContact O-N 3.4Å; T287-E289 VanDerWaalsContact C-N 3.31Å; T287-E289 PolarHBondContact O-N 3.4Å; E289-L291 VanDerWaalsContact C-N 3.33Å; E289-R292 PolarHBondContact O-N 2.81Å; E289-K293 WeakPolarHBondContact O-CG 3.37Å; E289-K293 PolarHBondContact O-N 2.74Å
290C79Confident80.5Confident34 Ų3461.3 Ų61.323%0.2329%0.294CS..Hα-helixtrans-61.6-43.6171.6-75.10000111V209 G210 E286 T287 R292 K293 F294V209-C290 WeakPolarHBondContact O-CB 3.34Å; G210-C290 CarbonylContact O-C 3.59Å; E286-C290 WeakPolarHBondContact O-CB 3.35Å; E286-C290 PolarHBondContact O-N 2.8Å; E286-C290 PolarHBondContact O-SG 2.73Å; T287-C290 PolarHBondContact O-N 3.3Å; C290-R292 VanDerWaalsContact C-N 3.33Å; C290-R292 PolarHBondContact O-N 3.46Å; C290-K293 WeakPolarHBondContact O-CB 3.15Å; C290-K293 PolarHBondContact O-N 2.8Å; C290-K293 VanDerWaalsContact O-N 3.12Å; C290-F294 PolarHBondContact O-N 3.36Å
291L82.6Confident78.8Confident0 Ų064.8 Ų64.80%031%0.305CS..Hα-helixtrans-65-35.8179.4-163.265.4000112.6F99 I102 V103 I206 T287 E289 K293 F294 N295F99-L291 HydrophobicContact CD1-CD1 3.46Å; F99-L291 VanDerWaalsContact CD1-CD1 3.46Å; F99-L291 HydrophobicContact CD1-CD2 3.94Å; F99-L291 HydrophobicContact CD1-CG 4.11Å; F99-L291 HydrophobicContact CE1-CD1 3.85Å; I102-L291 HydrophobicContact CB-CD2 3.91Å; I102-L291 HydrophobicContact CG2-CD2 3.55Å; V103-L291 HydrophobicContact CG2-CB 3.87Å; V103-L291 HydrophobicContact CG2-CD2 3.94Å; V103-L291 HydrophobicContact CG2-CG 3.86Å; I206-L291 HydrophobicContact CG2-CD1 3.72Å; T287-L291 VanDerWaalsContact O-CB 3.24Å; T287-L291 WeakPolarHBondContact O-CB 3.25Å; T287-L291 PolarHBondContact O-N 2.85Å; E289-L291 VanDerWaalsContact C-N 3.33Å; L291-K293 VanDerWaalsContact C-N 3.34Å; L291-K293 PolarHBondContact O-N 3.09Å; L291-F294 HydrophobicContact CD1-CD1 3.95Å; L291-F294 PolarHBondContact O-N 3.36Å; L291-N295 WeakPolarHBondContact O-CB 3.42Å; L291-N295 PolarHBondContact O-N 3.03Å
292R79.4Confident76.9Confident118 Ų11861 Ų6145%0.44530%0.295SS..Hα-helixtrans-58.5-44.2171.8-169.3174.2-64.3126.25.5112V103 V288 E289 C290 A296V103-R292 HydrophobicContact CG1-CB 3.66Å; V103-R292 HydrophobicContact CG1-CG 3.72Å; V103-R292 HydrophobicContact CG2-CB 4.29Å; V103-R292 PolarHBondContact O-NH2 3.21Å; V103-R292 VanDerWaalsContact O-NH2 3.07Å; V288-R292 PolarHBondContact O-N 3.41Å; E289-R292 PolarHBondContact O-N 2.81Å; C290-R292 VanDerWaalsContact C-N 3.33Å; C290-R292 PolarHBondContact O-N 3.46Å; R292-A296 PolarHBondContact O-N 2.93Å
293K71Confident74.9Confident142 Ų14259.5 Ų59.562%0.61730%0.296SS*.Hα-helixtrans-67.1-42.9176.4-64165.4-173162.80111.3E289 C290 L291 A296 R297E289-K293 WeakPolarHBondContact O-CG 3.37Å; E289-K293 PolarHBondContact O-N 2.74Å; C290-K293 WeakPolarHBondContact O-CB 3.15Å; C290-K293 PolarHBondContact O-N 2.8Å; C290-K293 VanDerWaalsContact O-N 3.12Å; L291-K293 VanDerWaalsContact C-N 3.34Å; L291-K293 PolarHBondContact O-N 3.09Å; K293-A296 PolarHBondContact O-N 3.15Å; K293-R297 WeakPolarHBondContact O-CB 3.39Å; K293-R297 PolarHBondContact O-N 2.92Å
294F76.6Confident72.6Confident31 Ų3159 Ų5914%0.13630%0.295CS..Hα-helixtrans-59.4-49.3176.7171.5-95.5000112P139 I206 G210 P212 C290 L291 A296 R297 R298P139-F294 HydrophobicContact CG-CE1 4.08Å; P139-F294 HydrophobicContact CG-CZ 4.28Å; I206-F294 HydrophobicContact CD1-CE2 4.33Å; I206-F294 HydrophobicContact CD1-CZ 3.99Å; I206-F294 HydrophobicContact CG2-CD1 4.18Å; I206-F294 HydrophobicContact CG2-CE1 4.02Å; I206-F294 HydrophobicContact CG2-CE2 4.49Å; I206-F294 HydrophobicContact CG2-CG 4.48Å; I206-F294 HydrophobicContact CG2-CZ 4.18Å; G210-F294 VanDerWaalsContact O-CB 3.3Å; G210-F294 WeakPolarHBondContact O-CB 3.34Å; P212-F294 HydrophobicContact CG-CE2 4.44Å; C290-F294 PolarHBondContact O-N 3.36Å; L291-F294 HydrophobicContact CD1-CD1 3.95Å; L291-F294 PolarHBondContact O-N 3.36Å; F294-A296 PolarHBondContact O-N 3.41Å; F294-R297 PolarHBondContact O-N 3.39Å; F294-R298 VanDerWaalsContact O-CB 3.27Å; F294-R298 WeakPolarHBondContact O-CB 3.47Å; F294-R298 PolarHBondContact O-N 2.78Å
295N71.6Confident70.4Confident5 Ų562.9 Ų62.93%0.02732%0.317CS..Hα-helixtrans-59.7-46.6178.5-80.1-13.6000112.8F99 E100 L291 R297 R298 K299F99-N295 VanDerWaalsContact C-ND2 3.34Å; F99-N295 PolarHBondContact O-ND2 2.82Å; E100-N295 WeakPolarHBondContact OE1-CB 3.18Å; E100-N295 PolarHBondContact OE1-ND2 3.41Å; L291-N295 WeakPolarHBondContact O-CB 3.42Å; L291-N295 PolarHBondContact O-N 3.03Å; N295-R297 VanDerWaalsContact C-N 3.33Å; N295-R297 PolarHBondContact O-N 3.44Å; N295-R298 PolarHBondContact O-N 2.81Å; N295-K299 PolarHBondContact O-N 2.95Å
296A64.9Low68.3Low64 Ų6462.4 Ų62.453%0.52932%0.319SS..Hα-helixtrans-59.4-44.1175.800000111.8R292 K293 F294 L300R292-A296 PolarHBondContact O-N 2.93Å; K293-A296 PolarHBondContact O-N 3.15Å; F294-A296 PolarHBondContact O-N 3.41Å; A296-L300 WeakPolarHBondContact O-CB 3.36Å; A296-L300 PolarHBondContact O-N 3.49Å; A296-L300 VanDerWaalsContact O-N 3.09Å
297R67Low65.9Low103 Ų10357.8 Ų57.839%0.38930%0.299SS..Hα-helixtrans-64.7-41.9176.7-166.8-179.1-162.4-166.36.1112.2W215 E217 K293 F294 N295 K301W215-R297 VanDerWaalsContact CZ2-NH1 3.3Å; E217-R297 IonicContact OE1-NH2 2.74Å; K293-R297 WeakPolarHBondContact O-CB 3.39Å; K293-R297 PolarHBondContact O-N 2.92Å; F294-R297 PolarHBondContact O-N 3.39Å; N295-R297 VanDerWaalsContact C-N 3.33Å; N295-R297 PolarHBondContact O-N 3.44Å; R297-K301 WeakPolarHBondContact O-CB 3.48Å; R297-K301 WeakPolarHBondContact O-CG 3.44Å; R297-K301 PolarHBondContact O-N 3.14Å
298R77.9Confident63.3Low23 Ų2362.3 Ų62.39%0.08732%0.321CS..Hα-helixtrans-62-53.9178.4-180-179.470.279.7-2.4110.9E97 E100 E140 F294 N295 L300 K301 G302E97-R298 IonicContact OE1-CZ 3.5Å; E97-R298 VanDerWaalsContact OE1-CZ 3.28Å; E97-R298 IonicContact OE1-NH1 2.68Å; E97-R298 PolarHBondContact OE1-NH1 2.9Å; E97-R298 IonicContact OE1-NH2 3.67Å; E97-R298 PolarHBondContact OE1-NH2 3.44Å; E97-R298 IonicContact OE2-CZ 2.64Å; E97-R298 IonicContact OE2-NH2 3.59Å; E97-R298 PolarHBondContact OE2-NH2 3.47Å; E100-R298 IonicContact OE1-NH2 2.83Å; E140-R298 WeakPolarHBondContact OE1-CD 3.39Å; E140-R298 WeakPolarHBondContact OE1-CG 3.45Å; E140-R298 IonicContact OE1-CZ 3.44Å; E140-R298 IonicContact OE1-NE 2.73Å; E140-R298 IonicContact OE1-NH1 3.62Å; E140-R298 PolarHBondContact OE1-NH1 3.24Å; F294-R298 VanDerWaalsContact O-CB 3.27Å; F294-R298 WeakPolarHBondContact O-CB 3.47Å; F294-R298 PolarHBondContact O-N 2.78Å; N295-R298 PolarHBondContact O-N 2.81Å; R298-L300 VanDerWaalsContact C-N 3.34Å; R298-L300 PolarHBondContact O-N 3.18Å; R298-K301 PolarHBondContact O-N 3.19Å; R298-G302 PolarHBondContact O-N 2.99Å
299K68.6Low60.9Low90 Ų9065.5 Ų65.539%0.39134%0.338SS..Hα-helixtrans-60.5-41.2178.6-72.3-175.7175.4-176.10112.4E97 E100 N295 G302 A303E97-K299 WeakPolarHBondContact OE2-CE 3.43Å; E97-K299 IonicContact OE2-NZ 3.52Å; E97-K299 PolarHBondContact OE2-NZ 3.35Å; E100-K299 VanDerWaalsContact CD-CE 3.46Å; E100-K299 WeakPolarHBondContact OE1-CE 3.49Å; E100-K299 IonicContact OE1-NZ 3.48Å; E100-K299 PolarHBondContact OE1-NZ 3.31Å; E100-K299 IonicContact OE2-NZ 3.53Å; E100-K299 PolarHBondContact OE2-NZ 3.1Å; N295-K299 PolarHBondContact O-N 2.95Å; K299-G302 PolarHBondContact O-N 3.26Å; K299-A303 WeakPolarHBondContact O-CB 3.44Å; K299-A303 PolarHBondContact O-N 2.78Å
300L53.7Low58.8Low89 Ų8963.8 Ų63.847%0.46633%0.333SS..Hα-helixtrans-62.1-48.1174.8178.859.5000112A296 R298 I304A296-L300 WeakPolarHBondContact O-CB 3.36Å; A296-L300 PolarHBondContact O-N 3.49Å; A296-L300 VanDerWaalsContact O-N 3.09Å; R298-L300 VanDerWaalsContact C-N 3.34Å; R298-L300 PolarHBondContact O-N 3.18Å; L300-I304 HydrophobicContact CD1-CD1 4.12Å; L300-I304 HydrophobicContact CG-CD1 4.16Å; L300-I304 WeakPolarHBondContact O-CD1 3.4Å; L300-I304 VanDerWaalsContact O-CG1 3.29Å; L300-I304 WeakPolarHBondContact O-CG1 3.47Å; L300-I304 PolarHBondContact O-N 3.29Å; L300-I304 VanDerWaalsContact O-N 3.16Å
301K58.5Low56.5Low102 Ų10263.9 Ų63.944%0.44333%0.334SS..Hα-helixtrans-64.6-39.9176.8-77-172.2174.3-168.60112.6R297 R298 I304 L305R297-K301 WeakPolarHBondContact O-CB 3.48Å; R297-K301 WeakPolarHBondContact O-CG 3.44Å; R297-K301 PolarHBondContact O-N 3.14Å; R298-K301 PolarHBondContact O-N 3.19Å; K301-I304 PolarHBondContact O-N 3.06Å; K301-L305 WeakPolarHBondContact O-CB 3.5Å; K301-L305 PolarHBondContact O-N 3.39Å
302G55.3Low54.1Low31 Ų3172 Ų7232%0.3237%0.365SS..Hα-helixtrans-65.7-40.9178.200000112.8R298 K299 L305 T306R298-G302 PolarHBondContact O-N 2.99Å; K299-G302 PolarHBondContact O-N 3.26Å; G302-L305 PolarHBondContact O-N 3.4Å; G302-T306 WeakPolarHBondContact O-CB 3.48Å; G302-T306 PolarHBondContact O-N 2.93Å; G302-T306 PolarHBondContact O-OG1 3.21Å; G302-T306 VanDerWaalsContact O-OG1 3.04Å
303A50.9Low51.8Low56 Ų5671 Ų7146%0.46337%0.368SS..Hα-helixtrans-60.9-46.9172.800000111.6K299 T306 T307K299-A303 WeakPolarHBondContact O-CB 3.44Å; K299-A303 PolarHBondContact O-N 2.78Å; A303-T306 PolarHBondContact O-N 3.07Å; A303-T307 PolarHBondContact O-N 3.13Å; A303-T307 VanDerWaalsContact O-N 3.16Å
304I46Very low49.9Very low52 Ų5267.6 Ų67.627%0.26735%0.354SS..Hα-helixtrans-60-49.2175.8-66162.6000110.6L300 K301 T306 T307 M308L300-I304 HydrophobicContact CD1-CD1 4.12Å; L300-I304 HydrophobicContact CG-CD1 4.16Å; L300-I304 WeakPolarHBondContact O-CD1 3.4Å; L300-I304 VanDerWaalsContact O-CG1 3.29Å; L300-I304 WeakPolarHBondContact O-CG1 3.47Å; L300-I304 PolarHBondContact O-N 3.29Å; L300-I304 VanDerWaalsContact O-N 3.16Å; K301-I304 PolarHBondContact O-N 3.06Å; I304-T306 VanDerWaalsContact C-N 3.31Å; I304-T306 PolarHBondContact O-N 2.96Å; I304-T307 PolarHBondContact O-N 3.28Å; I304-M308 HydrophobicContact CG2-CG 4.33Å; I304-M308 HydrophobicContact CG2-SD 3.97Å; I304-M308 WeakPolarHBondContact O-CG 3.41Å; I304-M308 PolarHBondContact O-N 3.37Å
305L45.3Very low47.8Very low94 Ų9468.2 Ų68.249%0.49236%0.362SS..Hα-helixtrans-65.4-33-178-170.767.7000112.4K301 G302 M308 L309K301-L305 WeakPolarHBondContact O-CB 3.5Å; K301-L305 PolarHBondContact O-N 3.39Å; G302-L305 PolarHBondContact O-N 3.4Å; L305-M308 CarbonylContact O-C 3.44Å; L305-M308 PolarHBondContact O-N 2.88Å; L305-L309 HydrophobicContact CD1-CD1 4.47Å; L305-L309 HydrophobicContact CD1-CG 4.33Å; L305-L309 HydrophobicContact CD2-CD1 4.21Å; L305-L309 HydrophobicContact CG-CD1 3.87Å; L305-L309 HydrophobicContact CG-CG 4.15Å; L305-L309 VanDerWaalsContact O-CB 3.28Å; L305-L309 WeakPolarHBondContact O-CB 3.19Å; L305-L309 VanDerWaalsContact O-CG 3.31Å; L305-L309 WeakPolarHBondContact O-CG 3.32Å; L305-L309 PolarHBondContact O-N 3.01Å
306T44.8Very low45.8Very low73 Ų7375 Ų7545%0.44840%0.403SS..Hα-helixtrans-63.9-48.6173.4-660000111G302 A303 I304 M308 L309 V310G302-T306 WeakPolarHBondContact O-CB 3.48Å; G302-T306 PolarHBondContact O-N 2.93Å; G302-T306 PolarHBondContact O-OG1 3.21Å; G302-T306 VanDerWaalsContact O-OG1 3.04Å; A303-T306 PolarHBondContact O-N 3.07Å; I304-T306 VanDerWaalsContact C-N 3.31Å; I304-T306 PolarHBondContact O-N 2.96Å; T306-M308 VanDerWaalsContact C-N 3.29Å; T306-M308 PolarHBondContact O-N 3.04Å; T306-L309 PolarHBondContact O-N 3.44Å; T306-L309 VanDerWaalsContact O-N 3.17Å; T306-V310 HydrophobicContact CG2-CG2 4.44Å; T306-V310 WeakPolarHBondContact O-CB 3.46Å; T306-V310 WeakPolarHBondContact O-CG2 3.29Å; T306-V310 PolarHBondContact O-N 3.41Å
307T36.5Very low44Very low23 Ų2374.9 Ų74.914%0.14141%0.408CS..Hα-helixtrans-55.6-43.4171.6-71.20000111.2A303 I304 S311 E493 E497A303-T307 PolarHBondContact O-N 3.13Å; A303-T307 VanDerWaalsContact O-N 3.16Å; I304-T307 PolarHBondContact O-N 3.28Å; T307-S311 PolarHBondContact O-N 3.44Å; T307-S311 PolarHBondContact O-OG 2.94Å; T307-E493 HydrophobicContact CG2-CB 4.38Å; T307-E497 WeakPolarHBondContact CB-OE2 3.5Å; T307-E497 WeakPolarHBondContact CG2-OE2 3.24Å; T307-E497 PolarHBondContact OG1-OE2 2.9Å
308M36.5Very low42.4Very low97 Ų9780.5 Ų80.548%0.47843%0.43SS..Hα-helixtrans-68-34.2176.4-65.317985.600114.1I304 L305 T306 S311 R312I304-M308 HydrophobicContact CG2-CG 4.33Å; I304-M308 HydrophobicContact CG2-SD 3.97Å; I304-M308 WeakPolarHBondContact O-CG 3.41Å; I304-M308 PolarHBondContact O-N 3.37Å; L305-M308 CarbonylContact O-C 3.44Å; L305-M308 PolarHBondContact O-N 2.88Å; T306-M308 VanDerWaalsContact C-N 3.29Å; T306-M308 PolarHBondContact O-N 3.04Å; M308-S311 WeakPolarHBondContact O-CB 3.45Å; M308-S311 PolarHBondContact O-N 3.25Å; M308-R312 WeakPolarHBondContact O-CB 3.08Å; M308-R312 PolarHBondContact O-N 2.91Å
309L35.2Very low40.1Very low68 Ų6887.2 Ų87.236%0.35646%0.462SS..Hα-helixtrans-82.7-36.6-176.8-79.9173.5000112.8L305 T306 S311 R312 N313L305-L309 HydrophobicContact CD1-CD1 4.47Å; L305-L309 HydrophobicContact CD1-CG 4.33Å; L305-L309 HydrophobicContact CD2-CD1 4.21Å; L305-L309 HydrophobicContact CG-CD1 3.87Å; L305-L309 HydrophobicContact CG-CG 4.15Å; L305-L309 VanDerWaalsContact O-CB 3.28Å; L305-L309 WeakPolarHBondContact O-CB 3.19Å; L305-L309 VanDerWaalsContact O-CG 3.31Å; L305-L309 WeakPolarHBondContact O-CG 3.32Å; L305-L309 PolarHBondContact O-N 3.01Å; T306-L309 PolarHBondContact O-N 3.44Å; T306-L309 VanDerWaalsContact O-N 3.17Å; L309-S311 PolarHBondContact O-N 3.05Å; L309-R312 PolarHBondContact O-N 3.34Å; L309-R312 VanDerWaalsContact O-N 3.13Å; L309-N313 PolarHBondContact O-N 2.78Å
310V33.3Very low38.3Very low45 Ų4591.2 Ų91.227%0.27348%0.482SS..Hα-helixtrans-54.6-42164.5170.90000109.1A24 T306A24-V310 HydrophobicContact CB-CG2 4.28Å; T306-V310 HydrophobicContact CG2-CG2 4.44Å; T306-V310 WeakPolarHBondContact O-CB 3.46Å; T306-V310 WeakPolarHBondContact O-CG2 3.29Å; T306-V310 PolarHBondContact O-N 3.41Å
311S31Very low37Very low36 Ų3693.7 Ų93.725%0.25250%0.501SS..Hα-helixtrans-63.8-47.9171.4-53.70000112.7T307 M308 L309 F314 H549T307-S311 PolarHBondContact O-N 3.44Å; T307-S311 PolarHBondContact O-OG 2.94Å; M308-S311 WeakPolarHBondContact O-CB 3.45Å; M308-S311 PolarHBondContact O-N 3.25Å; L309-S311 PolarHBondContact O-N 3.05Å; S311-F314 WeakPolarHBondContact O-CB 3.49Å; S311-H549 PolarHBondContact O-CE1 2.98Å; S311-H549 PolarHBondContact O-ND1 3.28Å
312R31.6Very low35.7Very low170 Ų17096.2 Ų96.264%0.64252%0.519SS*.Hα-helixtrans-81.5-13.8-163.1-149.4-175.879.2165.92.7118.2M308 L309 F314 S315M308-R312 WeakPolarHBondContact O-CB 3.08Å; M308-R312 PolarHBondContact O-N 2.91Å; L309-R312 PolarHBondContact O-N 3.34Å; L309-R312 VanDerWaalsContact O-N 3.13Å; R312-F314 PolarHBondContact O-N 3Å; R312-S315 PolarHBondContact O-N 2.63Å
313N31.6Very low34.4Very low97 Ų97100.5 Ų100.552%0.51954%0.544SS..THydrogen-bonded Turntrans-71.744.1-171-97.6-13.3000116.3F25 L309F25-N313 WeakPolarHBondContact CE2-ND2 3.4Å; F25-N313 HydrophobicContact CZ-CB 4.21Å; F25-N313 WeakPolarHBondContact CZ-ND2 3.35Å; L309-N313 PolarHBondContact O-N 2.78Å
314F31.4Very low33.4Very low70 Ų70103 Ų10331%0.30757%0.565SS.*THydrogen-bonded Turntrans-171.1-26.4-135-110.3-77.9000114.4S311 R312 P547 V548 H549S311-F314 WeakPolarHBondContact O-CB 3.49Å; R312-F314 PolarHBondContact O-N 3Å; F314-P547 HydrophobicContact CD1-CB 3.84Å; F314-P547 HydrophobicContact CE1-CB 3.02Å; F314-P547 HydrophobicContact CE1-CG 4.44Å; F314-P547 HydrophobicContact CE2-CB 4.06Å; F314-P547 VanDerWaalsContact CZ-C 3.5Å; F314-P547 HydrophobicContact CZ-CB 3.16Å; F314-V548 VanDerWaalsContact CE1-O 3.29Å; F314-V548 WeakPolarHBondContact CE1-O 3.33Å; F314-V548 VanDerWaalsContact CZ-C 3.44Å; F314-V548 VanDerWaalsContact CZ-N 3.27Å; F314-V548 WeakPolarHBondContact CZ-O 3.29Å; F314-H549 HydrophobicContact CB-CB 3.83Å; F314-H549 HydrophobicContact CD1-CB 3.6Å; F314-H549 HydrophobicContact CE1-CB 4.16Å; F314-H549 VanDerWaalsContact CE1-N 3.26Å; F314-H549 HydrophobicContact CG-CB 4.05Å
315S32.4Very low32.6Very low44 Ų44104.7 Ų104.731%0.30859%0.587SS.*  trans-101.915.7-165.8-155.10000113.3R312 G317 H549 Q574R312-S315 PolarHBondContact O-N 2.63Å; S315-G317 PolarHBondContact O-N 3.15Å; S315-H549 VanDerWaalsContact CB-NE2 3.34Å; S315-H549 WeakPolarHBondContact CB-NE2 3.35Å; S315-H549 PolarHBondContact OG-CD2 2.8Å; S315-H549 PolarHBondContact OG-NE2 3.32Å; S315-Q574 PolarHBondContact OG-OE1 3.18Å
316V28.6Very low32.1Very low148 Ų148104.2 Ų104.290%0.89760%0.596SS**  trans-94.381-167-172.50000110.7
317G28.5Very low31.7Very low62 Ų62103.6 Ų103.664%0.63960%0.598SS**  trans-151.829.8-167.700000119S315S315-G317 PolarHBondContact O-N 3.15Å
318R33.2Very low31.7Very low221 Ų221107.4 Ų107.483%0.83463%0.626SS**  trans68.1122.4165.9-86.9-172.7174.7-1730.6121.8
319Q29Very low31.8Very low163 Ų163106.7 Ų106.776%0.76263%0.631SS**  73.6131.7127.8-72175.4-50.600122.5
320H30.7Very low32.1Very low175 Ų175106.6 Ų106.681%0.8163%0.633SS**  trans-66.1145.7-171.9-64.2-99.8000116.5
321T27Very low32.3Very low141 Ų141106.7 Ų106.787%0.86564%0.638SS**  trans-135151.8130.452.60000109.3
322N31.4Very low32.6Very low155 Ų155108.4 Ų108.483%0.82965%0.65SS**  trans-92.8136.8-177-73-22.1000111.6
323S27.9Very low33Very low120 Ų120106 Ų10684%0.83965%0.65SS**  trans-154.6118.5153-1730000110.3
324A28.9Very low33.5Very low109 Ų109102.7 Ų102.790%0.90164%0.635SS**  trans-126.687.3-178.700000109.7
325A30.3Very low33.8Very low88 Ų88105.7 Ų105.773%0.72765%0.651SS**  trans-148.9-23.117800000115.3
326A35.2Very low34.1Very low83 Ų83110.7 Ų110.769%0.68667%0.669SS**G310 helixtrans-83.7-21.7-16700000116.1S328 S329A326-S328 PolarHBondContact O-N 3.32Å; A326-S329 PolarHBondContact O-OG 3.28Å
327A36.4Very low34.5Very low60 Ų60106 Ų10650%0.49665%0.645SS.*G310 helixtrans-74.53-165.500000116.5
328S35.3Very low34.9Very low104 Ų104104.1 Ų104.173%0.72762%0.622SS**G310 helixtrans-91.5-24.4-173.6-163.20000114.2A326A326-S328 PolarHBondContact O-N 3.32Å
329S38.8Very low35.2Very low82 Ų82100.7 Ų100.757%0.57361%0.614SS**SBendtrans-83.8-34-171.751.30000114.3A326 A331 S332A326-S329 PolarHBondContact O-OG 3.28Å; S329-A331 VanDerWaalsContact C-N 3.31Å; S329-A331 PolarHBondContact O-N 2.99Å; S329-S332 PolarHBondContact O-OG 2.95Å
330T42.2Very low35.7Very low65 Ų6597.3 Ų97.340%0.39961%0.608SS.*Hα-helixtrans-71.4-23.4-178.426.80000113.7S332T330-S332 PolarHBondContact O-N 3.17Å
331A37.7Very low36.2Very low48 Ų4894.3 Ų94.340%0.39760%0.597SS.*Hα-helixtrans-68.3-30.3-177.900000114.1S329S329-A331 VanDerWaalsContact C-N 3.31Å; S329-A331 PolarHBondContact O-N 2.99Å
332S36Very low36.7Very low72 Ų7293 Ų9350%0.50358%0.584SS.*Hα-helixtrans-75.2-39.9-179640000112.5S329 T330 A334 Q335S329-S332 PolarHBondContact O-OG 2.95Å; T330-S332 PolarHBondContact O-N 3.17Å; S332-A334 PolarHBondContact O-N 2.92Å; S332-Q335 WeakPolarHBondContact O-CB 3.09Å; S332-Q335 PolarHBondContact O-N 2.82Å
333L40.2Very low36.8Very low120 Ų12092.7 Ų92.763%0.62858%0.583SS**Hα-helixtrans-64.1-40.4179.5-67.4169.6000112Q335 E336 A337L333-Q335 PolarHBondContact O-N 2.84Å; L333-E336 PolarHBondContact O-N 2.86Å; L333-A337 PolarHBondContact O-N 2.91Å
334A41.9Very low37Very low26 Ų2696.9 Ų96.922%0.21559%0.586CS.*Hα-helixtrans-63-30.5175.900000112.9S332 E336 C338 T590S332-A334 PolarHBondContact O-N 2.92Å; A334-E336 VanDerWaalsContact C-N 3.31Å; A334-E336 PolarHBondContact O-N 2.76Å; A334-C338 PolarHBondContact O-N 2.94Å; A334-T590 HydrophobicContact CB-CG2 4.32Å
335Q38.6Very low37Very low134 Ų134101 Ų10163%0.62658%0.583SS**Hα-helixtrans-72.7-24.5-179.2-164.5171.610.300112.9S332 L333S332-Q335 WeakPolarHBondContact O-CB 3.09Å; S332-Q335 PolarHBondContact O-N 2.82Å; L333-Q335 PolarHBondContact O-N 2.84Å
336E37.7Very low37.1Very low149 Ų149101.4 Ų101.470%0.69658%0.581SS**Hα-helixtrans-83.3-41.9179.3-158.3143.2-130.400111.4L333 A334 C338 K339L333-E336 PolarHBondContact O-N 2.86Å; A334-E336 VanDerWaalsContact C-N 3.31Å; A334-E336 PolarHBondContact O-N 2.76Å; E336-C338 PolarHBondContact O-N 2.95Å; E336-K339 PolarHBondContact O-N 2.83Å
337A38.1Very low36.6Very low48 Ų48105.7 Ų105.740%0.39759%0.592SS.*Hα-helixtrans-58.6-42.8172.800000112.8L333 K339 S340 L341L333-A337 PolarHBondContact O-N 2.91Å; A337-K339 PolarHBondContact O-N 2.88Å; A337-S340 PolarHBondContact O-N 2.9Å; A337-L341 PolarHBondContact O-N 2.85Å
338C37Very low36.2Very low23 Ų23108.2 Ų108.216%0.15561%0.606CS.*Hα-helixtrans-61.9-26.4177.7-78.60000114.2A334 E336 L342A334-C338 PolarHBondContact O-N 2.94Å; E336-C338 PolarHBondContact O-N 2.95Å; C338-L342 WeakPolarHBondContact O-CD1 3.27Å; C338-L342 WeakPolarHBondContact O-CG 3.22Å
339K39Very low35.8Very low150 Ų150108.1 Ų108.165%0.65261%0.612SS**Hα-helixtrans-78.1-30177-72.9177.2-179.4172.60112.9E336 A337E336-K339 PolarHBondContact O-N 2.83Å; A337-K339 PolarHBondContact O-N 2.88Å
340S39.1Very low35.3Very low91 Ų91114 Ų11464%0.63663%0.627SS**Hα-helixtrans-69.7-46.1-180-177.60000112.1A337 L342A337-S340 PolarHBondContact O-N 2.9Å; S340-L342 PolarHBondContact O-N 2.9Å
341L40.7Very low34.6Very low112 Ų112117.1 Ų117.159%0.58665%0.649SS**Hα-helixtrans-72.4-24.1-173.1-68.5170000114.4A337 N343A337-L341 PolarHBondContact O-N 2.85Å; L341-N343 VanDerWaalsContact C-N 3.34Å; L341-N343 PolarHBondContact O-N 3.29Å
342L38.6Very low33.9Very low115 Ų115120.7 Ų120.760%0.60267%0.67SS**THydrogen-bonded Turntrans-83.6-2-175.6-70.9172.8000114.8C338 S340C338-L342 WeakPolarHBondContact O-CD1 3.27Å; C338-L342 WeakPolarHBondContact O-CG 3.22Å; S340-L342 PolarHBondContact O-N 2.9Å
343N33.8Very low33.5Very low148 Ų148123 Ų12379%0.79168%0.682SS**THydrogen-bonded Turntrans-110.510.2-169.6-1037.7000116.2L341L341-N343 VanDerWaalsContact C-N 3.34Å; L341-N343 PolarHBondContact O-N 3.29Å
344K32.1Very low32.7Very low208 Ų208125.2 Ų125.290%0.90469%0.694SS**  trans-94.2108.8169.2-81.9-174.7175.7178.20111
345K29.5Very low31.9Very low194 Ų194131.5 Ų131.584%0.84372%0.724SS**  trans-112.7126.6178.3-152.7-176.9-175178.60110.9
346S30.5Very low31.3Very low98 Ų98131.2 Ų131.269%0.68574%0.737SS**  trans39.5117.8153.661.40000119.7
347D26.3Very low30.9Very low172 Ų172133.1 Ų133.192%0.9274%0.743SS**  trans-130.3146.2133.8-113.7-33.2000110.1
348S28.3Very low30.5Very low113 Ų113138 Ų13879%0.7976%0.763SS**  trans-111.9130.8-159.659.60000114.2
349A26.1Very low30Very low103 Ų103141.3 Ų141.385%0.85179%0.786SS**  trans-139.8138163.400000111.1
350K28.1Very low29.4Very low205 Ų205141.3 Ų141.389%0.89179%0.791SS**PPolyproline II helixtrans-77.9146.3-174.8-66.3172.7176.4174.30112
351P27.6Very low28.7Very low131 Ų131143 Ų14385%0.85180%0.797SS**PPolyproline II helixtrans-78.3134.3165.632-31.5000111
352S23.8Very low28Very low122 Ų122143.1 Ų143.185%0.85381%0.808SS**PPolyproline II helixtrans-101.2137.5163.8-173.40000109.2
353T26Very low27.3Very low120 Ų120142.6 Ų142.674%0.73682%0.82SS**PPolyproline II helixtrans-78.3138.2-179.548.70000112.1
354N24Very low27Very low168 Ų168142.9 Ų142.990%0.89882%0.82SS**  trans-165.1142.4135.5-102.2-23.9000113.8
355N25.4Very low26.7Very low158 Ų158140.5 Ų140.585%0.84582%0.817SS**  trans-89.2142.7173.3-81.8-38.4000111.2
356S26.9Very low26.5Very low128 Ų128135.7 Ų135.790%0.89581%0.814SS**  trans-168.2164.7135.5-90.80000113.5
357K29Very low26.4Very low189 Ų189139.6 Ų139.682%0.82283%0.826SS**  trans-99.5173.4-161.4-60.6167.2173.21710113.8
358N28.4Very low26.5Very low151 Ų151140 Ų14081%0.80782%0.82SS**  trans79.4148.2161.8-57.4-9.6000116.6
359S26.8Very low26.5Very low91 Ų91141.2 Ų141.264%0.63682%0.817SS**  cis-174.8159.4-20.257.70000111.4
360I25.6Very low26.5Very low150 Ų150143.2 Ų143.277%0.76982%0.819SS**  trans68.7111.1144.1-69.5161.7000120.3
361V25.3Very low26.5Very low126 Ų126141 Ų14176%0.76482%0.817SS**  trans44.1118.9130.2-166.60000120.7
362S25.5Very low26.5Very low116 Ų116144.2 Ų144.281%0.81182%0.823SS**  165.3126.3118.8-74.80000113.1
363A25.2Very low26.6Very low104 Ų104143 Ų14386%0.8682%0.821SS**  trans174.2100.6137.900000111
364I26.9Very low26.6Very low153 Ų153142.1 Ų142.179%0.78583%0.825SS**  trans-119.6149.4162.9-78.7176.7000107.1
365N25.8Very low26.6Very low158 Ų158142.1 Ų142.185%0.84583%0.825SS**  trans79.7105.9176.8-58.9-33.3000117.7
366A25.7Very low26.7Very low94 Ų94139.5 Ų139.578%0.77783%0.826SS**  trans-143.7127139.300000110.3
367L27.3Very low26.5Very low180 Ų180142.4 Ų142.494%0.94283%0.825SS**  trans75.7106.9158.7-58.5169.3000119.5
368K29.1Very low26.3Very low181 Ų181141 Ų14179%0.78782%0.823SS**  trans-103169.4157.1-139.6-175.2-173.4-173.60108.2
369D27.8Very low26.1Very low138 Ų138141.3 Ų141.374%0.73882%0.82SS**  trans73.5119.4167.2-45.9-27.8000115.4
370T26.8Very low25.9Very low144 Ų144141.9 Ų141.988%0.88382%0.824SS**  -154.7159.266.827.30000115.2
371N27.8Very low25.9Very low159 Ų159144.4 Ų144.485%0.8583%0.833SS**  trans-88.1147.1168.3-73.1-45000111.5
372M27.4Very low25.8Very low198 Ų198143.1 Ų143.198%0.97583%0.829SS**  -177.2157.4117.8-102-163.3176.800114.7
373A25.9Very low25.7Very low98 Ų98144.7 Ų144.781%0.8183%0.834SS**  trans-65.8160.1-174.900000116.9
374A26.1Very low25.6Very low101 Ų101145.6 Ų145.684%0.83583%0.828SS**  170.7153.2114.800000114.4
375N24.9Very low25.5Very low167 Ų167145.1 Ų145.189%0.89383%0.833SS**  trans-51.8151.6172.5-72.1-21.9000116
376A26.1Very low25.5Very low103 Ų103146.1 Ų146.185%0.85183%0.832SS**  -163.2145125.400000112.3
377Q22.8Very low25.7Very low190 Ų190148.8 Ų148.889%0.88883%0.833SS**  trans-99.5151.6169.2-63.5165.6-91.500110.6
378M25.3Very low26.1Very low159 Ų159145.7 Ų145.778%0.78382%0.824SS**  trans162.1121.4131-93.8-175.1155.900109.5
379E23.6Very low27.1Very low157 Ų157142.1 Ų142.173%0.73482%0.819SS**  59.899.493.7-69.4-169154.700112.4
380S24.3Very low27.1Very low104 Ų104143.3 Ų143.373%0.72783%0.825SS**  70.8120.172.775.50000114.3
381Q23.9Very low27.1Very low203 Ų203139.5 Ų139.595%0.94982%0.815SS**  trans-149.1142152.2-116.9173.422.200112.7
382S23Very low27.2Very low99 Ų99138.4 Ų138.469%0.69281%0.813SS**  trans-93162.9-173.253.60000113.4
383T24.1Very low27.3Very low148 Ų148138.6 Ų138.691%0.90881%0.809SS**  trans-139.2143.1143.435.20000111.5
384V23.1Very low27.3Very low123 Ų123137.2 Ų137.275%0.74580%0.804SS**  trans-131.4135.7-177.61700000107.7
385V24Very low27.4Very low144 Ų144138 Ų13887%0.87380%0.803SS**  trans-141.4142.2162.8-173.20000111.5
386H26.2Very low27.6Very low178 Ų178136.9 Ų136.982%0.82480%0.803SS**  trans-69.4158.5-167.9-82.7-91000119.9
387N30.4Very low27.6Very low151 Ų151140.5 Ų140.581%0.80780%0.802SS**  trans-69162.5150.6-110.17.7000111.3
388P35.3Very low27.8Very low115 Ų115137.2 Ų137.275%0.74780%0.8SS**  -157.5-146.464.238-11.2000114.2
389P50.3Low27.8Very low105 Ų105137.5 Ų137.568%0.68281%0.805SS**  -125.3-155.9-70.937.8-18.5000114.7
390D27.6Very low27.9Very low163 Ų163134 Ų13487%0.87280%0.803SS**  trans83.5136.9172.4-60.1-21.5000118.4
391G26.7Very low28.1Very low65 Ų65135.2 Ų135.267%0.6781%0.806SS**  cis165.4138.6-12.500000115
392V29.6Very low28.3Very low135 Ų135131.7 Ų131.782%0.81879%0.794SS**  trans69.9145.9162.1-172.80000115.2
393K30.6Very low28.5Very low203 Ų203133.3 Ų133.388%0.88380%0.795SS**  cis-135.6-178.25.7-127.5144.7-160.7169.30108.1
394G25.3Very low28.8Very low68 Ų68134.9 Ų134.970%0.70179%0.792SS**  cis-175.7-160.27.200000111.5
395S28.4Very low29.1Very low117 Ų117137.7 Ų137.782%0.81880%0.797SS**  trans-100167.6-167.1-34.20000114.8
396T28.2Very low29.3Very low144 Ų144137.7 Ų137.788%0.88379%0.787SS**  -148.3162.563.137.90000116.6
397E27.7Very low29.5Very low179 Ų179135.9 Ų135.984%0.83678%0.781SS**  trans-95.1167.3-170.8-49.8166.6132.300114.7
398S26.9Very low29.3Very low122 Ų122136.9 Ų136.985%0.85378%0.778SS**  -165.6134.412747.90000112.2
399N23.8Very low28.9Very low165 Ų165135.5 Ų135.588%0.88278%0.776SS**  trans-107152.3-178.8-91.2-32.6000112.7
400A27.5Very low27.8Very low83 Ų83137.7 Ų137.769%0.68678%0.782SS**  trans-179.4108.3147.600000108.5
401T27Very low27.9Very low130 Ų130134.5 Ų134.580%0.79877%0.772SS**  56.2135.686.361.30000115.1
402N28.3Very low28Very low128 Ų128137 Ų13768%0.68478%0.78SS**  cis-168.4-170.4-16.6-151.857.3000108.2
403D27.9Very low27.9Very low134 Ų134134.8 Ų134.872%0.71778%0.775SS**  trans74.5112.8164.7-42.5-27000115
404E30.1Very low27.9Very low181 Ų181133.2 Ų133.285%0.84678%0.776SS**  cis69.2107.534.9-58.5-157.9155.800116.3
405E28.9Very low28.2Very low182 Ų182136 Ų13685%0.8579%0.785SS**  -179.7125.4121.1-92.4-176.9171.800107.2
406E29.3Very low28.2Very low144 Ų144139.3 Ų139.367%0.67379%0.787SS**  63.5143.777.6-82.4-143132.500114.3
407M29.3Very low28.1Very low140 Ų140138 Ų13869%0.6978%0.784SS**  cis-136.4145.21.7-89.8-154.1-16900108.9
408K26.9Very low28.1Very low172 Ų172134.4 Ų134.475%0.74878%0.778SS**  7412374.9-128.3-176-163.7165.90116.2
409A27Very low28.2Very low85 Ų85133.5 Ų133.570%0.70278%0.778SS**  trans75.715814200000119
410D26.1Very low28.4Very low152 Ų152129.7 Ų129.781%0.81377%0.77SS**  cis-147.5-178-1.9-143.8-32.8000111.9
411S29.5Very low28.4Very low95 Ų95134.8 Ų134.866%0.66478%0.779SS**  trans-105.9161-179.863.80000113.7
412S29.3Very low28.3Very low119 Ų119137.4 Ų137.483%0.83278%0.782SS**  trans126.3159.2140.676.90000118.9
413A28.9Very low28.3Very low87 Ų87139 Ų13972%0.71979%0.788SS**  trans82.990.915900000121.7
414L30.3Very low29.3Very low171 Ų171137 Ų13790%0.89578%0.782SS**  33.9125.5116.8-70.8160000121.5
415S29.8Very low29.8Very low127 Ų127134.7 Ų134.789%0.88878%0.783SS**  trans-158157135.156.80000112.4
416Q29Very low29.8Very low186 Ų186132.9 Ų132.987%0.86978%0.778SS**  trans-110152.5-175-62.3171.2-25.900112.6
417S26.3Very low29.8Very low116 Ų116132.8 Ų132.881%0.81178%0.782SS**  trans148162.9150.7500000109.6
418S28.6Very low30.3Very low103 Ų103132 Ų13272%0.7279%0.787SS**  173.1125.9-55.950.40000106.8
419A29.1Very low30.5Very low103 Ų103128.5 Ų128.585%0.85178%0.784SS**  trans61.7164.4170.200000117.3
420A27.3Very low31.3Very low86 Ų86130.8 Ų130.871%0.71179%0.792SS**  cis-166.2166.3-37.100000109
421E28.1Very low31.5Very low189 Ų189132.5 Ų132.588%0.88380%0.795SS**  trans76.5143157.6-59.7-155.1127.300123.8
422E25.4Very low31.4Very low185 Ų185133.8 Ų133.886%0.86480%0.804SS**  trans89.2136.5150.4-81.6-170.6153.100125.6
423M27.1Very low31.4Very low163 Ų163133.6 Ų133.680%0.80380%0.803SS**  trans-134.8179.9179.9-107.4-178.470.500105.2
424P49.9Very low31.9Very low92 Ų92135.5 Ų135.560%0.59781%0.808SS**  cis-127.5-151.9-24.232.2-8.6000110
425P40.8Very low31.8Very low132 Ų132131.7 Ų131.786%0.85780%0.801SS**  -143.1-174.976.934.2-12.8000115.3
426L28.1Very low31.8Very low144 Ų144133 Ų13375%0.75480%0.796SS**  trans-113.2153.7-164.2-81.8159.4000114.9
427L28.9Very low32.2Very low141 Ų141129.9 Ų129.974%0.73879%0.792SS**  trans71.2161.9144.5-75.9170.2000118.3
428P39.5Very low33.3Very low123 Ų123129.1 Ų129.180%0.79979%0.785SS**  cis-13617125.942.5-24.5000119.5
429S32.1Very low33.4Very low99 Ų99131.9 Ų131.969%0.69279%0.786SS**  trans-95.6162.1167.3-42.60000112
430P43.8Very low33.4Very low133 Ų133133.8 Ų133.886%0.86478%0.781SS**  trans-139.5178.1130.232.9-16000115
431Q29.7Very low33.5Very low188 Ų188135.5 Ų135.588%0.87978%0.783SS**  trans-96.4161.8-166.1-54.8165-56.300114.7
432S26.9Very low33.4Very low123 Ų123135.7 Ų135.786%0.8678%0.781SS**  150.7154.9124.958.90000115.5
433S30.1Very low33.5Very low114 Ų114137.7 Ų137.780%0.79778%0.78SS**  trans-99.5168.8-179-42.80000112.4
434P40Very low33.6Very low127 Ų127137.6 Ų137.683%0.82578%0.78SS**  -159.1160.690.939.6-18.5000120.5
435A27.9Very low32.5Very low91 Ų91137.7 Ų137.775%0.75279%0.789SS**  trans34.9118.2145.200000127.5
436I30.2Very low31.7Very low155 Ų155143.3 Ų143.380%0.79579%0.793SS**  32.5131.1113.1-57.7177.9000119.1
437P37.2Very low31.6Very low120 Ų120144.2 Ų144.278%0.77980%0.799SS**  -153.2-168.177.250-28.5000116.3
438P49.6Very low31.4Very low101 Ų101142.6 Ų142.666%0.65680%0.799SS**  -139-164.6-103.930.6-2.7000117.8
439H30.1Very low30.8Very low161 Ų161143.7 Ų143.775%0.74580%0.803SS**  trans82.6146.7169.9-69.2-85000118.3
440D28.1Very low30.5Very low142 Ų142142.1 Ų142.176%0.75980%0.803SS**  cis-145.7172.114-139.8-4.9000116.2
441V29.6Very low29.7Very low122 Ų122143.7 Ų143.774%0.73980%0.804SS**  trans-113.8139.6-167.5171.20000113.4
442K27.2Very low29.5Very low193 Ų193139.9 Ų139.984%0.83980%0.798SS**  trans-161128.2137.6-116.9163.7-173.61730116.7
443R27.3Very low29.5Very low227 Ų227139.8 Ų139.886%0.85780%0.798SS**  trans-126.8135.5164172.4-156.7-76.4-144.3-0.4106.5
444M28.4Very low29.3Very low162 Ų162140.2 Ų140.280%0.79880%0.8SS**  trans-159.3125.6159.8-94.3139.2-175.100106.3
445A26.6Very low29.2Very low94 Ų94139.4 Ų139.478%0.77779%0.794SS**  cis89.6126.338.200000113.7
446W25.4Very low29.2Very low249 Ų249142.1 Ų142.194%0.94380%0.796SS**  trans-58.6153.2175.5-92.7-46.1000113.3
447N24.4Very low29Very low164 Ų164139.9 Ų139.988%0.87779%0.794SS**  -167.4159119.4-99.4-16.7000113.6
448S25.5Very low28.4Very low107 Ų107141.3 Ų141.375%0.74880%0.795SS**  trans-74.6165.7-176-48.20000114.8
449T26.3Very low27.4Very low145 Ų145145 Ų14589%0.8980%0.804SS**  151.9139.8110.9-52.30000111.6
450G25.7Very low27.3Very low67 Ų67143.2 Ų143.269%0.69181%0.809SS**  trans129.5100.8148.300000119.3
451N27.1Very low27.3Very low166 Ų166145.7 Ų145.789%0.88882%0.816SS**  trans17.6128.3149.2-66.99.3000122.5
452S26.7Very low27.1Very low107 Ų107145.1 Ų145.175%0.74882%0.818SS**  -177.7113.6110.252.90000110.5
453S26.4Very low27.1Very low121 Ų121141.5 Ų141.585%0.84682%0.817SS**  85.3104.6100.5-54.90000115.3
454C24.9Very low27.2Very low124 Ų124138.1 Ų138.184%0.83881%0.814SS**  trans-80.2165.4157.3-45.40000109.2
455P39.4Very low27.4Very low110 Ų110136.2 Ų136.271%0.71481%0.814SS**  -150.1166.971.140.4-20.6000118.6
456D26.2Very low27.5Very low148 Ų148137.5 Ų137.579%0.79182%0.817SS**  trans72.9134.8143.1-65.6-16000126.1
457S26.4Very low27.7Very low108 Ų108129.9 Ų129.976%0.75581%0.807SS**  trans69141.8156.2-56.90000118.6
458D26Very low28Very low150 Ų150128.2 Ų128.280%0.80281%0.805SS**  cis-153.417921.8-138.7-31.1000114
459Q28.6Very low28.7Very low177 Ų177131.8 Ų131.883%0.82782%0.815SS**  trans-75.4148.5-173-57.1173.3-0.500115.4
460S27.2Very low29.3Very low124 Ų124128.9 Ų128.987%0.86781%0.814SS**  trans-169142.2133.540.20000113.3
461Q28.7Very low29.9Very low194 Ų194129.4 Ų129.491%0.90782%0.819SS**  trans-89148.2171.6-60.8170.9-29.900110.2
462S25.1Very low30.4Very low110 Ų110125.5 Ų125.577%0.76981%0.805SS**  179.6140125.8660000114.9
463S26.6Very low30.9Very low117 Ų117125.1 Ų125.182%0.81880%0.798SS**  trans65.3113.6139-57.50000122.5
464I30.6Very low31.8Very low157 Ų157124.9 Ų124.981%0.80579%0.792SS**PPolyproline II helixtrans-86.2140.4160.5-60.9164.4000109.8
465P31.3Very low32.7Very low121 Ų121122.1 Ų122.179%0.78678%0.778SS**PPolyproline II helixtrans-96.2130.816132.1-24.9000112.3
466S29.4Very low32.9Very low122 Ų122120.7 Ų120.785%0.85377%0.767SS**PPolyproline II helixtrans-77.5140-177.3-39.70000113.3
467A28.6Very low33.9Very low88 Ų88120.2 Ų120.273%0.72776%0.758SS**PPolyproline II helixtrans-101.5146.616700000111.3
468P31.3Very low35.1Very low129 Ų129118.5 Ų118.584%0.83875%0.746SS**PPolyproline II helixtrans-80.4134.8-166.730.3-35.1000114.3G470P468-G470 PolarHBondContact O-N 3.04Å
469L41Very low36.9Very low183 Ų183116 Ų11696%0.95873%0.733SS**PPolyproline II helixtrans-72.4118.2166.5-78.896.4000110.6
470G38.6Very low38.9Very low83 Ų83111.7 Ų111.786%0.85672%0.718SS**  trans-173.343.9179.600000115.9P468P468-G470 PolarHBondContact O-N 3.04Å
471G37.9Very low41Very low79 Ų79112.3 Ų112.381%0.81471%0.705SS**  trans-170.247.2-173.100000118.4
472S38Very low43.1Very low84 Ų84107.5 Ų107.559%0.58769%0.685SS**SBendtrans-133.1-21.6177.4-168.90000115.5V474 T476S472-V474 PolarHBondContact O-N 3.5Å; S472-T476 PolarHBondContact O-N 3.42Å; S472-T476 PolarHBondContact O-OG1 2.98Å
473T37.3Very low45.8Very low99 Ų99105.8 Ų105.861%0.60767%0.67SS**Hα-helixtrans-75.9-18.6-176.649.50000114.6T476 K477T473-T476 PolarHBondContact O-OG1 2.74Å; T473-K477 WeakPolarHBondContact O-CB 3.5Å; T473-K477 WeakPolarHBondContact O-CD 2.87Å; T473-K477 WeakPolarHBondContact O-CG 3.4Å
474V44.2Very low48.6Very low116 Ų116102.1 Ų102.170%0.70364%0.638SS**Hα-helixtrans-84.5-45179.6-178.90000111.2S472 K477 S478S472-V474 PolarHBondContact O-N 3.5Å; V474-K477 PolarHBondContact O-N 3.48Å; V474-S478 PolarHBondContact O-N 3.2Å; V474-S478 PolarHBondContact O-OG 3.36Å
475A43.4Very low51.4Low66 Ų6698.9 Ų98.955%0.54562%0.618SS.*Hα-helixtrans-67.6-35.9-179.900000113S478 N479A475-S478 WeakPolarHBondContact CA-OG 3.41Å; A475-S478 PolarHBondContact O-OG 3.13Å; A475-N479 WeakPolarHBondContact O-CB 3.29Å; A475-N479 PolarHBondContact O-N 3.11Å
476T44.9Very low54.1Low79 Ų7998.3 Ų98.349%0.48561%0.605SS.*Hα-helixtrans-67.3-42.5172.240.90000111.8S472 T473 N479 T480S472-T476 PolarHBondContact O-N 3.42Å; S472-T476 PolarHBondContact O-OG1 2.98Å; T473-T476 PolarHBondContact O-OG1 2.74Å; T476-N479 PolarHBondContact O-N 3.38Å; T476-T480 WeakPolarHBondContact O-CG2 3.18Å; T476-T480 PolarHBondContact O-N 2.87Å; T476-T480 PolarHBondContact O-OG1 3.22Å
477K46.4Very low57Low139 Ų13996.5 Ų96.560%0.60458%0.583SS**Hα-helixtrans-70.5-27.4177.5-75179.6-178.3-178.20114.4T473 V474 T480 K481T473-K477 WeakPolarHBondContact O-CB 3.5Å; T473-K477 WeakPolarHBondContact O-CD 2.87Å; T473-K477 WeakPolarHBondContact O-CG 3.4Å; V474-K477 PolarHBondContact O-N 3.48Å; K477-T480 PolarHBondContact O-OG1 3.18Å; K477-K481 VanDerWaalsContact O-CG 3.31Å; K477-K481 WeakPolarHBondContact O-CG 3.47Å; K477-K481 PolarHBondContact O-N 3.19Å
478S52.2Low60.2Low71 Ų7192.3 Ų92.350%0.49755%0.549SS..Hα-helixtrans-74.5-41.6172.759.30000111.2V474 A475 K481 L482V474-S478 PolarHBondContact O-N 3.2Å; V474-S478 PolarHBondContact O-OG 3.36Å; A475-S478 WeakPolarHBondContact CA-OG 3.41Å; A475-S478 PolarHBondContact O-OG 3.13Å; S478-K481 PolarHBondContact O-N 3.43Å; S478-L482 PolarHBondContact O-N 3.25Å
479N63.8Low63Low99 Ų9988.4 Ų88.453%0.52952%0.52SS..Hα-helixtrans-64.8-43.8178.4-159.8-0.1000112A475 T476 K481 L482 T483A475-N479 WeakPolarHBondContact O-CB 3.29Å; A475-N479 PolarHBondContact O-N 3.11Å; T476-N479 PolarHBondContact O-N 3.38Å; N479-K481 VanDerWaalsContact C-N 3.33Å; N479-K481 PolarHBondContact O-N 3.4Å; N479-L482 WeakPolarHBondContact O-CB 3.29Å; N479-L482 PolarHBondContact O-N 2.98Å; N479-L482 VanDerWaalsContact O-N 3.12Å; N479-T483 PolarHBondContact O-N 3.37Å; N479-T483 PolarHBondContact O-OG1 3.26Å
480T69.3Low65.1Low85 Ų8583 Ų8352%0.52149%0.489SS..Hα-helixtrans-66.1-30.6175.855.70000113.8T476 K477 T483 R484T476-T480 WeakPolarHBondContact O-CG2 3.18Å; T476-T480 PolarHBondContact O-N 2.87Å; T476-T480 PolarHBondContact O-OG1 3.22Å; K477-T480 PolarHBondContact O-OG1 3.18Å; T480-T483 PolarHBondContact O-OG1 3.17Å; T480-R484 WeakPolarHBondContact O-CB 3.48Å; T480-R484 PolarHBondContact O-N 2.89Å; T480-R484 VanDerWaalsContact O-N 3.16Å
481K72.7Confident67.7Low138 Ų13880.1 Ų80.160%0.645%0.454SS*.Hα-helixtrans-68.8-38.2171-76.9177.4179.1-174.90111.8K477 S478 N479 K485K477-K481 VanDerWaalsContact O-CG 3.31Å; K477-K481 WeakPolarHBondContact O-CG 3.47Å; K477-K481 PolarHBondContact O-N 3.19Å; S478-K481 PolarHBondContact O-N 3.43Å; N479-K481 VanDerWaalsContact C-N 3.33Å; N479-K481 PolarHBondContact O-N 3.4Å; K481-K485 WeakPolarHBondContact O-CG 3.38Å; K481-K485 PolarHBondContact O-N 2.78Å
482L73.4Confident70.4Confident93 Ų9376.4 Ų76.449%0.48742%0.415SS..Hα-helixtrans-66.6-49.5178.7-176.662.8000111.5S478 N479 R484 K485 Q486S478-L482 PolarHBondContact O-N 3.25Å; N479-L482 WeakPolarHBondContact O-CB 3.29Å; N479-L482 PolarHBondContact O-N 2.98Å; N479-L482 VanDerWaalsContact O-N 3.12Å; L482-R484 VanDerWaalsContact C-N 3.3Å; L482-R484 PolarHBondContact O-N 3.38Å; L482-K485 PolarHBondContact O-N 3Å; L482-Q486 WeakPolarHBondContact O-CG 3.44Å; L482-Q486 PolarHBondContact O-N 3.13Å; L482-Q486 VanDerWaalsContact O-N 3.09Å
483T80.5Confident72.7Confident73 Ų7374.6 Ų74.645%0.44840%0.398SS..Hα-helixtrans-61.4-39177.455.60000112N479 T480 Q486 E487N479-T483 PolarHBondContact O-N 3.37Å; N479-T483 PolarHBondContact O-OG1 3.26Å; T480-T483 PolarHBondContact O-OG1 3.17Å; T483-Q486 WeakPolarHBondContact O-CB 3.15Å; T483-Q486 PolarHBondContact O-N 3Å; T483-E487 PolarHBondContact O-N 3.34Å
484R85.1Confident75.1Confident40 Ų4073.5 Ų73.515%0.15139%0.386CS..Hα-helixtrans-68.6-33.6176.2-171.1174.5174.3135.515.6113.6T480 L482 Q486 E487 I488 L559 E562T480-R484 WeakPolarHBondContact O-CB 3.48Å; T480-R484 PolarHBondContact O-N 2.89Å; T480-R484 VanDerWaalsContact O-N 3.16Å; L482-R484 VanDerWaalsContact C-N 3.3Å; L482-R484 PolarHBondContact O-N 3.38Å; R484-Q486 VanDerWaalsContact C-N 3.34Å; R484-E487 WeakPolarHBondContact O-CB 3.42Å; R484-E487 PolarHBondContact O-N 3.23Å; R484-I488 PolarHBondContact O-N 3.15Å; R484-L559 HydrophobicContact CB-CD1 4.08Å; R484-L559 HydrophobicContact CG-CD1 4.03Å; R484-L559 HydrophobicContact CG-CD2 3.91Å; R484-E562 VanDerWaalsContact CZ-O 3.23Å; R484-E562 PolarHBondContact NH1-O 3.47Å; R484-E562 PolarHBondContact NH2-O 3.36Å
485K90.3Very high77.4Confident89 Ų8968 Ų6839%0.38735%0.352SS..Hα-helixtrans-65-39.9170.4-75.5-166.7179.5-151.80111.7K481 L482 E487 I488 I489 V557 L559K481-K485 WeakPolarHBondContact O-CG 3.38Å; K481-K485 PolarHBondContact O-N 2.78Å; L482-K485 PolarHBondContact O-N 3Å; K485-E487 VanDerWaalsContact C-N 3.32Å; K485-E487 PolarHBondContact O-N 3.43Å; K485-I488 PolarHBondContact O-N 2.93Å; K485-I489 WeakPolarHBondContact O-CG1 3.25Å; K485-I489 PolarHBondContact O-N 3.04Å; K485-I489 VanDerWaalsContact O-N 3.08Å; K485-V557 HydrophobicContact CB-CB 4.32Å; K485-V557 HydrophobicContact CB-CG1 4.35Å; K485-V557 HydrophobicContact CD-CB 4.16Å; K485-V557 VanDerWaalsContact CE-O 3.23Å; K485-V557 WeakPolarHBondContact CE-O 3.37Å; K485-V557 HydrophobicContact CG-CB 4.01Å; K485-V557 HydrophobicContact CG-CG1 3.93Å; K485-V557 PolarHBondContact NZ-O 3.39Å; K485-L559 HydrophobicContact CG-CD1 3.94Å; K485-L559 HydrophobicContact CG-CD2 4.47Å; K485-L559 HydrophobicContact CG-CG 4.13Å
486Q87.7Confident79.5Confident109 Ų10965.2 Ų65.251%0.50933%0.328SS..Hα-helixtrans-63.9-36175.5-67.5167.6-10.300112L482 T483 R484 I489 K490L482-Q486 WeakPolarHBondContact O-CG 3.44Å; L482-Q486 PolarHBondContact O-N 3.13Å; L482-Q486 VanDerWaalsContact O-N 3.09Å; T483-Q486 WeakPolarHBondContact O-CB 3.15Å; T483-Q486 PolarHBondContact O-N 3Å; R484-Q486 VanDerWaalsContact C-N 3.34Å; Q486-I489 PolarHBondContact O-N 2.89Å; Q486-K490 WeakPolarHBondContact O-CB 3.39Å; Q486-K490 PolarHBondContact O-N 3.15Å
487E91.3Very high81.1Confident84 Ų8463.6 Ų63.639%0.39332%0.315SS..Hα-helixtrans-59.8-45.7173.4-168.3-172.4-173.800112.3T483 R484 K485 K490 I491 W600T483-E487 PolarHBondContact O-N 3.34Å; R484-E487 WeakPolarHBondContact O-CB 3.42Å; R484-E487 PolarHBondContact O-N 3.23Å; K485-E487 VanDerWaalsContact C-N 3.32Å; K485-E487 PolarHBondContact O-N 3.43Å; E487-K490 PolarHBondContact O-N 2.82Å; E487-I491 PolarHBondContact O-N 3.41Å; E487-W600 VanDerWaalsContact OE1-CD1 3.27Å; E487-W600 PolarHBondContact OE1-NE1 3.04Å; E487-W600 PolarHBondContact OE2-NE1 3.46Å
488I94.8Very high82.8Confident0 Ų057.2 Ų57.20%029%0.288CS..Hα-helixtrans-66.7-39.4177.9-61.9-58.7000112.3R484 K485 I491 T492 V557 L559 A565 I567 W593 W600R484-I488 PolarHBondContact O-N 3.15Å; K485-I488 PolarHBondContact O-N 2.93Å; I488-I491 WeakPolarHBondContact O-CG2 3.28Å; I488-T492 WeakPolarHBondContact O-CB 3.33Å; I488-T492 PolarHBondContact O-N 3.47Å; I488-T492 VanDerWaalsContact O-N 3.16Å; I488-T492 PolarHBondContact O-OG1 3.29Å; I488-V557 HydrophobicContact CB-CG1 3.95Å; I488-V557 HydrophobicContact CB-CG2 4.43Å; I488-V557 HydrophobicContact CG1-CG1 4.26Å; I488-V557 HydrophobicContact CG2-CG1 3.9Å; I488-V557 HydrophobicContact CG2-CG2 4.22Å; I488-L559 HydrophobicContact CG1-CD2 4.09Å; I488-A565 HydrophobicContact CD1-CB 3.55Å; I488-A565 HydrophobicContact CG1-CB 3.65Å; I488-A565 HydrophobicContact CG2-CB 4.31Å; I488-I567 HydrophobicContact CG2-CB 4.07Å; I488-I567 HydrophobicContact CG2-CG2 4.31Å; I488-W593 HydrophobicContact CD1-CB 4.26Å; I488-W593 HydrophobicContact CD1-CG 4.46Å; I488-W600 HydrophobicContact CD1-CD2 3.8Å; I488-W600 HydrophobicContact CD1-CE3 3.98Å; I488-W600 HydrophobicContact CD1-CG 4.44Å; I488-W600 HydrophobicContact CD1-CH2 3.79Å; I488-W600 HydrophobicContact CD1-CZ2 3.65Å; I488-W600 HydrophobicContact CD1-CZ3 3.97Å
489I89.5Confident84.3Confident47 Ų4754.7 Ų54.724%0.24127%0.269CS..Hα-helixtrans-60.5-49173.1-67.8165.4000109.4K485 Q486 I491 T492 E493 V557 I567K485-I489 WeakPolarHBondContact O-CG1 3.25Å; K485-I489 PolarHBondContact O-N 3.04Å; K485-I489 VanDerWaalsContact O-N 3.08Å; Q486-I489 PolarHBondContact O-N 2.89Å; I489-I491 PolarHBondContact O-N 2.67Å; I489-T492 WeakPolarHBondContact O-CA 3.27Å; I489-T492 WeakPolarHBondContact O-CB 3.42Å; I489-T492 PolarHBondContact O-N 3.15Å; I489-T492 VanDerWaalsContact O-N 3.11Å; I489-E493 HydrophobicContact CG2-CG 4.35Å; I489-E493 WeakPolarHBondContact O-CG 3.41Å; I489-E493 PolarHBondContact O-N 3.16Å; I489-V557 HydrophobicContact CD1-CG2 4.21Å; I489-V557 HydrophobicContact CG1-CG2 3.73Å; I489-I567 HydrophobicContact CG1-CD1 4.15Å
490K85.3Confident85Confident69 Ų6952 Ų5230%0.325%0.254SS..Hα-helixtrans-60.3-45.5-178-175.6-175.6176.7-171.60113.4Q486 E487 T492 E493 Q494Q486-K490 WeakPolarHBondContact O-CB 3.39Å; Q486-K490 PolarHBondContact O-N 3.15Å; E487-K490 PolarHBondContact O-N 2.82Å; K490-T492 VanDerWaalsContact C-N 3.26Å; K490-T492 PolarHBondContact O-N 3.44Å; K490-E493 PolarHBondContact O-N 2.84Å; K490-Q494 WeakPolarHBondContact O-CG 3.31Å; K490-Q494 PolarHBondContact O-N 3.23Å
491I94.2Very high85.3Confident24 Ų2452.6 Ų52.612%0.12325%0.254CS..Hα-helixtrans-68.8-28.5177.9-166.564.9000111.7E487 I488 I489 Q494 L495 I510 W593 W600E487-I491 PolarHBondContact O-N 3.41Å; I488-I491 WeakPolarHBondContact O-CG2 3.28Å; I489-I491 PolarHBondContact O-N 2.67Å; I491-Q494 PolarHBondContact O-N 3.36Å; I491-L495 PolarHBondContact O-N 3.04Å; I491-I510 HydrophobicContact CD1-CG1 4.38Å; I491-I510 HydrophobicContact CD1-CG2 3.98Å; I491-I510 HydrophobicContact CG1-CG2 4Å; I491-W593 HydrophobicContact CB-CH2 4.26Å; I491-W593 HydrophobicContact CB-CZ3 4.3Å; I491-W593 HydrophobicContact CG1-CE3 4.21Å; I491-W593 HydrophobicContact CG1-CH2 3.7Å; I491-W593 HydrophobicContact CG1-CZ3 3.49Å; I491-W593 VanDerWaalsContact CG1-CZ3 3.49Å; I491-W593 HydrophobicContact CG2-CD2 3.97Å; I491-W593 HydrophobicContact CG2-CE3 3.91Å; I491-W593 HydrophobicContact CG2-CH2 3.89Å; I491-W593 HydrophobicContact CG2-CZ2 3.96Å; I491-W593 HydrophobicContact CG2-CZ3 3.86Å; I491-W600 HydrophobicContact CG1-CB 4.18Å; I491-W600 HydrophobicContact CG2-CB 4.34Å
492T94.7Very high85.6Confident0 Ų047.1 Ų47.10%024%0.237CC..Hα-helixtrans-69.1-42.8172.1-540000111.8I488 I489 K490 Q494 L495 I496 I567 Y569 W593I488-T492 WeakPolarHBondContact O-CB 3.33Å; I488-T492 PolarHBondContact O-N 3.47Å; I488-T492 VanDerWaalsContact O-N 3.16Å; I488-T492 PolarHBondContact O-OG1 3.29Å; I489-T492 WeakPolarHBondContact O-CA 3.27Å; I489-T492 WeakPolarHBondContact O-CB 3.42Å; I489-T492 PolarHBondContact O-N 3.15Å; I489-T492 VanDerWaalsContact O-N 3.11Å; K490-T492 VanDerWaalsContact C-N 3.26Å; K490-T492 PolarHBondContact O-N 3.44Å; T492-Q494 VanDerWaalsContact C-N 3.34Å; T492-Q494 PolarHBondContact O-N 2.82Å; T492-L495 PolarHBondContact O-N 2.86Å; T492-I496 WeakPolarHBondContact O-CG1 3.22Å; T492-I496 PolarHBondContact O-N 2.76Å; T492-I567 HydrophobicContact CG2-CD1 4.35Å; T492-I567 HydrophobicContact CG2-CG2 4.28Å; T492-Y569 HydrophobicContact CG2-CD1 4.32Å; T492-Y569 HydrophobicContact CG2-CE1 3.53Å; T492-W593 WeakPolarHBondContact OG1-CZ2 3.28Å; T492-W593 PolarHBondContact OG1-NE1 2.93Å
493E86.7Confident86.1Confident47 Ų4745.9 Ų45.922%0.2223%0.231CC..Hα-helixtrans-60.1-42.8173.2-70171.2157.700111.5T307 I489 K490 L495 I496 E497 L552T307-E493 HydrophobicContact CG2-CB 4.38Å; I489-E493 HydrophobicContact CG2-CG 4.35Å; I489-E493 WeakPolarHBondContact O-CG 3.41Å; I489-E493 PolarHBondContact O-N 3.16Å; K490-E493 PolarHBondContact O-N 2.84Å; E493-L495 PolarHBondContact O-N 2.78Å; E493-I496 PolarHBondContact O-N 3.15Å; E493-E497 WeakPolarHBondContact O-CB 3.42Å; E493-E497 PolarHBondContact O-N 3.14Å; E493-L552 HydrophobicContact CG-CD1 4.08Å
494Q86.9Confident86.4Confident76 Ų7645 Ų4536%0.35522%0.221SC..Hα-helixtrans-63.5-38.4176.1-72.2179.2-13.900113.1K490 I491 T492 E497 A498 I510K490-Q494 WeakPolarHBondContact O-CG 3.31Å; K490-Q494 PolarHBondContact O-N 3.23Å; I491-Q494 PolarHBondContact O-N 3.36Å; T492-Q494 VanDerWaalsContact C-N 3.34Å; T492-Q494 PolarHBondContact O-N 2.82Å; Q494-E497 PolarHBondContact O-N 3.41Å; Q494-A498 PolarHBondContact O-N 3.47Å; Q494-I510 HydrophobicContact CB-CD1 4.15Å
495L92.1Very high86.6Confident0 Ų049.6 Ų49.60%025%0.245CC..Hα-helixtrans-65.7-43.7175.6-178.660.5000111.9I491 T492 E493 E497 A498 I499 Y507 I510 W593 N602I491-L495 PolarHBondContact O-N 3.04Å; T492-L495 PolarHBondContact O-N 2.86Å; E493-L495 PolarHBondContact O-N 2.78Å; L495-E497 VanDerWaalsContact C-N 3.34Å; L495-A498 PolarHBondContact O-N 2.74Å; L495-I499 HydrophobicContact CG-CD1 4.37Å; L495-I499 WeakPolarHBondContact O-CG1 3.42Å; L495-I499 PolarHBondContact O-N 2.92Å; L495-I499 VanDerWaalsContact O-N 3.1Å; L495-Y507 HydrophobicContact CD1-CD2 3.51Å; L495-Y507 HydrophobicContact CD1-CE2 3.7Å; L495-Y507 HydrophobicContact CD1-CG 4.45Å; L495-I510 HydrophobicContact CB-CG2 4.03Å; L495-I510 HydrophobicContact CD1-CB 4.13Å; L495-I510 HydrophobicContact CD1-CG2 3.96Å; L495-I510 HydrophobicContact CG-CG2 4.41Å; L495-W593 HydrophobicContact CB-CH2 4.13Å; L495-W593 HydrophobicContact CD2-CH2 3.76Å; L495-W593 HydrophobicContact CD2-CZ2 3.95Å; L495-N602 HydrophobicContact CD2-CB 4.05Å
496I87.5Confident86.5Confident7 Ų746.1 Ų46.14%0.03623%0.232CC..Hα-helixtrans-66.7-36.1176.5-66.1-68.5000111.2T492 E493 I499 N500 T550 L552T492-I496 WeakPolarHBondContact O-CG1 3.22Å; T492-I496 PolarHBondContact O-N 2.76Å; E493-I496 PolarHBondContact O-N 3.15Å; I496-I499 HydrophobicContact CD1-CD1 4.3Å; I496-I499 PolarHBondContact O-N 3.32Å; I496-N500 WeakPolarHBondContact O-CB 3.36Å; I496-N500 VanDerWaalsContact O-CG 3.27Å; I496-N500 PolarHBondContact O-N 3.17Å; I496-N500 PolarHBondContact O-ND2 2.94Å; I496-T550 HydrophobicContact CG2-CG2 3.73Å; I496-L552 HydrophobicContact CG1-CD2 4.41Å
497E78.3Confident86.6Confident46 Ų4641.1 Ų41.122%0.21521%0.208CC..Hα-helixtrans-61.8-43.6172-179.9172-168.100111.8T307 E493 Q494 L495 N500 N501T307-E497 WeakPolarHBondContact CB-OE2 3.5Å; T307-E497 WeakPolarHBondContact CG2-OE2 3.24Å; T307-E497 PolarHBondContact OG1-OE2 2.9Å; E493-E497 WeakPolarHBondContact O-CB 3.42Å; E493-E497 PolarHBondContact O-N 3.14Å; Q494-E497 PolarHBondContact O-N 3.41Å; L495-E497 VanDerWaalsContact C-N 3.34Å; E497-N500 PolarHBondContact O-N 2.86Å; E497-N501 VanDerWaalsContact CG-ND2 3.32Å; E497-N501 WeakPolarHBondContact CG-ND2 3.26Å; E497-N501 WeakPolarHBondContact O-CB 3.39Å; E497-N501 PolarHBondContact O-N 3.38Å; E497-N501 PolarHBondContact O-ND2 3.24Å
498A83.1Confident86.7Confident4 Ų439.7 Ų39.73%0.03321%0.206CC..Hα-helixtrans-60.9-44.9175.800000112.1Q494 L495 N501 G502 D503 A506Q494-A498 PolarHBondContact O-N 3.47Å; L495-A498 PolarHBondContact O-N 2.74Å; A498-N501 PolarHBondContact O-N 3.35Å; A498-G502 PolarHBondContact O-N 3.18Å; A498-D503 PolarHBondContact O-N 3.22Å; A498-A506 HydrophobicContact CB-CB 3.71Å
499I83.9Confident86.7Confident18 Ų1847.4 Ų47.49%0.09224%0.235CC..Hα-helixtrans-60.3-52.2175.7-65.1162.7000110.6L495 I496 N501 G502 Y507 F537 L541L495-I499 HydrophobicContact CG-CD1 4.37Å; L495-I499 WeakPolarHBondContact O-CG1 3.42Å; L495-I499 PolarHBondContact O-N 2.92Å; L495-I499 VanDerWaalsContact O-N 3.1Å; I496-I499 HydrophobicContact CD1-CD1 4.3Å; I496-I499 PolarHBondContact O-N 3.32Å; I499-N501 VanDerWaalsContact C-N 3.28Å; I499-N501 PolarHBondContact O-N 2.82Å; I499-G502 PolarHBondContact O-N 3.42Å; I499-G502 VanDerWaalsContact O-N 3.11Å; I499-Y507 HydrophobicContact CD1-CD2 4.31Å; I499-Y507 HydrophobicContact CD1-CE2 3.99Å; I499-Y507 HydrophobicContact CG1-CD2 3.73Å; I499-Y507 HydrophobicContact CG1-CE2 3.84Å; I499-F537 HydrophobicContact CB-CZ 4.4Å; I499-F537 HydrophobicContact CG1-CZ 4.03Å; I499-L541 HydrophobicContact CG2-CD1 4.29Å
500N78.2Confident87Confident42 Ų4246.1 Ų46.123%0.22523%0.228CC..Hα-helixtrans-65.3-29.6-176.1-72.2-18.4000113.3I496 E497 T550 R571I496-N500 WeakPolarHBondContact O-CB 3.36Å; I496-N500 VanDerWaalsContact O-CG 3.27Å; I496-N500 PolarHBondContact O-N 3.17Å; I496-N500 PolarHBondContact O-ND2 2.94Å; E497-N500 PolarHBondContact O-N 2.86Å; N500-T550 WeakPolarHBondContact ND2-CB 3.39Å; N500-T550 PolarHBondContact ND2-OG1 3Å; N500-T550 PolarHBondContact OD1-OG1 3.17Å; N500-R571 PolarHBondContact OD1-NH2 2.83Å
501N76.3Confident87.5Confident98 Ų9842.9 Ų42.952%0.52421%0.214SC..Hα-helixtrans-84.1-8.4176.5-74.9-43.9000114E497 A498 I499 D503E497-N501 VanDerWaalsContact CG-ND2 3.32Å; E497-N501 WeakPolarHBondContact CG-ND2 3.26Å; E497-N501 WeakPolarHBondContact O-CB 3.39Å; E497-N501 PolarHBondContact O-N 3.38Å; E497-N501 PolarHBondContact O-ND2 3.24Å; A498-N501 PolarHBondContact O-N 3.35Å; I499-N501 VanDerWaalsContact C-N 3.28Å; I499-N501 PolarHBondContact O-N 2.82Å; N501-D503 HydrophobicContact CB-CB 4.38Å; N501-D503 PolarHBondContact O-N 2.91Å
502G78.4Confident87.5Confident24 Ų2442.5 Ų42.525%0.24721%0.213CC..THydrogen-bonded Turntrans66.723.4-169.900000113.4A498 I499 F504 F537A498-G502 PolarHBondContact O-N 3.18Å; I499-G502 PolarHBondContact O-N 3.42Å; I499-G502 VanDerWaalsContact O-N 3.11Å; G502-F504 PolarHBondContact O-N 2.82Å; G502-F537 VanDerWaalsContact C-CD1 3.47Å
503D83.7Confident87.4Confident66 Ų6647.3 Ų47.335%0.35324%0.244SC..  trans-86.586.5-179.3-172.3-15.4000110.6A498 N501 E505 A506 Y507A498-D503 PolarHBondContact O-N 3.22Å; N501-D503 HydrophobicContact CB-CB 4.38Å; N501-D503 PolarHBondContact O-N 2.91Å; D503-E505 VanDerWaalsContact C-N 3.26Å; D503-E505 PolarHBondContact O-N 3.44Å; D503-E505 PolarHBondContact OD1-N 3.47Å; D503-A506 HydrophobicContact CB-CB 4Å; D503-A506 PolarHBondContact O-N 2.87Å; D503-A506 PolarHBondContact OD1-N 2.83Å; D503-A506 WeakPolarHBondContact OD2-CB 3.49Å; D503-Y507 PolarHBondContact O-N 3.17Å
504F85.7Confident87.6Confident54 Ų5446.5 Ų46.524%0.23725%0.248CC..Hα-helixtrans-66.2-26.6179.5-171.5-113.5000112.9G502 Y507 T508 M530 K534 F537G502-F504 PolarHBondContact O-N 2.82Å; F504-Y507 HydrophobicContact CD2-CD1 4.24Å; F504-Y507 HydrophobicContact CE2-CD1 4.2Å; F504-Y507 PolarHBondContact O-N 3.14Å; F504-T508 HydrophobicContact CD1-CG2 4.13Å; F504-T508 HydrophobicContact CD2-CG2 4.27Å; F504-T508 HydrophobicContact CE1-CG2 3.66Å; F504-T508 HydrophobicContact CE2-CG2 3.82Å; F504-T508 HydrophobicContact CG-CG2 4.4Å; F504-T508 HydrophobicContact CZ-CG2 3.49Å; F504-T508 VanDerWaalsContact CZ-CG2 3.49Å; F504-T508 WeakPolarHBondContact O-CB 3.45Å; F504-T508 WeakPolarHBondContact O-CG2 3.28Å; F504-T508 PolarHBondContact O-N 3.43Å; F504-T508 PolarHBondContact O-OG1 3.03Å; F504-M530 HydrophobicContact CZ-CB 4.41Å; F504-K534 HydrophobicContact CE1-CB 4.27Å; F504-K534 HydrophobicContact CE1-CD 4.05Å; F504-K534 HydrophobicContact CE1-CG 3.9Å; F504-K534 HydrophobicContact CE2-CB 3.73Å; F504-K534 HydrophobicContact CE2-CG 4.15Å; F504-K534 HydrophobicContact CZ-CB 3.55Å; F504-K534 HydrophobicContact CZ-CD 4.05Å; F504-K534 HydrophobicContact CZ-CG 3.71Å; F504-F537 HydrophobicContact CB-CB 4.04Å; F504-F537 HydrophobicContact CB-CD1 3.72Å; F504-F537 HydrophobicContact CB-CE1 4.36Å; F504-F537 HydrophobicContact CB-CG 3.93Å; F504-F537 HydrophobicContact CD2-CB 3.96Å; F504-F537 HydrophobicContact CD2-CD1 4.17Å; F504-F537 AromaticContact CD2-CD2 3.7Å; F504-F537 HydrophobicContact CD2-CD2 3.7Å; F504-F537 HydrophobicContact CD2-CE2 4.2Å; F504-F537 AromaticContact CD2-CG 3.68Å; F504-F537 HydrophobicContact CD2-CG 3.68Å; F504-F537 HydrophobicContact CE2-CD2 4.38Å; F504-F537 HydrophobicContact CG-CB 4.26Å; F504-F537 HydrophobicContact CG-CD1 4.45Å; F504-F537 HydrophobicContact CG-CG 4.23Å
505E89.3Confident87.9Confident138 Ų13842.9 Ų42.965%0.64523%0.231SC*.Hα-helixtrans-75.4-35.8177.6-168.3-175161.700111.4D503 T508 R509D503-E505 VanDerWaalsContact C-N 3.26Å; D503-E505 PolarHBondContact O-N 3.44Å; D503-E505 PolarHBondContact OD1-N 3.47Å; E505-T508 PolarHBondContact O-OG1 3Å; E505-R509 WeakPolarHBondContact O-CG 3.39Å; E505-R509 PolarHBondContact O-N 3.43Å; E505-R509 PolarHBondContact O-NE 3.35Å
506A89.3Confident87.8Confident15 Ų1543.9 Ų43.912%0.12424%0.237CC..Hα-helixtrans-66.1-44.8166.800000111.9A498 D503 T508 R509 I510A498-A506 HydrophobicContact CB-CB 3.71Å; D503-A506 HydrophobicContact CB-CB 4Å; D503-A506 PolarHBondContact O-N 2.87Å; D503-A506 PolarHBondContact OD1-N 2.83Å; D503-A506 WeakPolarHBondContact OD2-CB 3.49Å; A506-T508 PolarHBondContact O-N 3.39Å; A506-R509 PolarHBondContact O-N 3.45Å; A506-I510 WeakPolarHBondContact O-CG1 3.33Å; A506-I510 PolarHBondContact O-N 3.12Å
507Y90.5Very high87.7Confident4 Ų443.6 Ų43.62%0.01624%0.235CC..Hα-helixtrans-57.9-50.6179.7-177.8-96.9000112.3L495 I499 D503 F504 R509 I510 C511 L515 M530 H533 F537L495-Y507 HydrophobicContact CD1-CD2 3.51Å; L495-Y507 HydrophobicContact CD1-CE2 3.7Å; L495-Y507 HydrophobicContact CD1-CG 4.45Å; I499-Y507 HydrophobicContact CD1-CD2 4.31Å; I499-Y507 HydrophobicContact CD1-CE2 3.99Å; I499-Y507 HydrophobicContact CG1-CD2 3.73Å; I499-Y507 HydrophobicContact CG1-CE2 3.84Å; D503-Y507 PolarHBondContact O-N 3.17Å; F504-Y507 HydrophobicContact CD2-CD1 4.24Å; F504-Y507 HydrophobicContact CE2-CD1 4.2Å; F504-Y507 PolarHBondContact O-N 3.14Å; Y507-R509 PolarHBondContact O-N 2.89Å; Y507-I510 PolarHBondContact O-N 3.2Å; Y507-C511 HydrophobicContact CE1-CB 4.29Å; Y507-C511 PolarHBondContact O-N 3.37Å; Y507-L515 WeakPolarHBondContact OH-CD2 3.27Å; Y507-M530 HydrophobicContact CD1-SD 4.13Å; Y507-M530 HydrophobicContact CE1-CE 4.11Å; Y507-M530 HydrophobicContact CE1-SD 3.72Å; Y507-H533 HydrophobicContact CE1-CB 3.88Å; Y507-H533 PolarHBondContact OH-CD2 3.44Å; Y507-H533 VanDerWaalsContact OH-CD2 3.26Å; Y507-H533 PolarHBondContact OH-NE2 2.92Å; Y507-F537 HydrophobicContact CD1-CE2 4.02Å; Y507-F537 HydrophobicContact CD1-CZ 4.23Å; Y507-F537 AromaticContact CD2-CE2 3.98Å; Y507-F537 HydrophobicContact CD2-CE2 3.98Å; Y507-F537 AromaticContact CD2-CZ 3.67Å; Y507-F537 HydrophobicContact CD2-CZ 3.67Å; Y507-F537 HydrophobicContact CE1-CE2 4.35Å; Y507-F537 HydrophobicContact CE2-CE2 4.31Å; Y507-F537 HydrophobicContact CE2-CZ 4.38Å; Y507-F537 AromaticContact CG-CE2 3.83Å; Y507-F537 HydrophobicContact CG-CE2 3.83Å; Y507-F537 AromaticContact CG-CZ 3.58Å; Y507-F537 HydrophobicContact CG-CZ 3.58Å
508T93.2Very high87.9Confident54 Ų5445 Ų4533%0.33124%0.241SC..Hα-helixtrans-67.4-15.6179.2490000114.8F504 E505 A506 M530F504-T508 HydrophobicContact CD1-CG2 4.13Å; F504-T508 HydrophobicContact CD2-CG2 4.27Å; F504-T508 HydrophobicContact CE1-CG2 3.66Å; F504-T508 HydrophobicContact CE2-CG2 3.82Å; F504-T508 HydrophobicContact CG-CG2 4.4Å; F504-T508 HydrophobicContact CZ-CG2 3.49Å; F504-T508 VanDerWaalsContact CZ-CG2 3.49Å; F504-T508 WeakPolarHBondContact O-CB 3.45Å; F504-T508 WeakPolarHBondContact O-CG2 3.28Å; F504-T508 PolarHBondContact O-N 3.43Å; F504-T508 PolarHBondContact O-OG1 3.03Å; E505-T508 PolarHBondContact O-OG1 3Å; A506-T508 PolarHBondContact O-N 3.39Å; T508-M530 HydrophobicContact CG2-CG 4.4Å; T508-M530 HydrophobicContact CG2-SD 4.1Å
509R94.1Very high87.8Confident162 Ų16245.1 Ų45.161%0.61124%0.241SC*.Hα-helixtrans-83.4-16.3170.5-75.8178.2-69.1165.4-2.9113.6E505 A506 Y507E505-R509 WeakPolarHBondContact O-CG 3.39Å; E505-R509 PolarHBondContact O-N 3.43Å; E505-R509 PolarHBondContact O-NE 3.35Å; A506-R509 PolarHBondContact O-N 3.45Å; Y507-R509 PolarHBondContact O-N 2.89Å
510I95.6Very high87.2Confident20 Ų2046.2 Ų46.210%0.10325%0.249CC..Hα-helixtrans-108.5-27.7-176.4-58.4167.5000111.3I491 Q494 L495 A506 Y507 W593 L601 N602I491-I510 HydrophobicContact CD1-CG1 4.38Å; I491-I510 HydrophobicContact CD1-CG2 3.98Å; I491-I510 HydrophobicContact CG1-CG2 4Å; Q494-I510 HydrophobicContact CB-CD1 4.15Å; L495-I510 HydrophobicContact CB-CG2 4.03Å; L495-I510 HydrophobicContact CD1-CB 4.13Å; L495-I510 HydrophobicContact CD1-CG2 3.96Å; L495-I510 HydrophobicContact CG-CG2 4.41Å; A506-I510 WeakPolarHBondContact O-CG1 3.33Å; A506-I510 PolarHBondContact O-N 3.12Å; Y507-I510 PolarHBondContact O-N 3.2Å; I510-W593 HydrophobicContact CG2-CH2 3.59Å; I510-W593 HydrophobicContact CG2-CZ3 3.61Å; I510-L601 CarbonylContact O-C 3.59Å; I510-L601 VanDerWaalsContact O-CA 3.26Å; I510-L601 WeakPolarHBondContact O-CA 3.27Å; I510-N602 PolarHBondContact O-N 3.12Å
511C95.6Very high87Confident2 Ų245.7 Ų45.71%0.01425%0.245CC..EExtended strand (participates in β ladder)trans-88.1149173.2-680000112Y507 L515 M530Y507-C511 HydrophobicContact CE1-CB 4.29Å; Y507-C511 PolarHBondContact O-N 3.37Å; C511-L515 HydrophobicContact CB-CD2 4.21Å; C511-M530 HydrophobicContact CB-CE 3.76Å; C511-M530 HydrophobicContact CB-SD 3.95Å
512D95.4Very high86.6Confident16 Ų1641.3 Ų41.39%0.08622%0.223CC..EExtended strand (participates in β ladder)trans-72.2144.1168.7-159.8-112.8000110.3G514 L515 R596 L601 N602 V603D512-G514 PolarHBondContact O-N 3.29Å; D512-G514 VanDerWaalsContact O-N 3.15Å; D512-G514 PolarHBondContact OD1-N 2.73Å; D512-L515 WeakPolarHBondContact O-CB 3.42Å; D512-L515 PolarHBondContact O-N 2.61Å; D512-R596 IonicContact OD1-CZ 3.69Å; D512-R596 IonicContact OD1-NH1 2.81Å; D512-R596 PolarHBondContact OD1-NH1 3.31Å; D512-R596 IonicContact OD2-CZ 3.79Å; D512-R596 IonicContact OD2-NH1 2.74Å; D512-R596 PolarHBondContact OD2-NH1 2.72Å; D512-L601 HydrophobicContact CB-CB 4.35Å; D512-L601 WeakPolarHBondContact OD2-CD1 3.26Å; D512-N602 PolarHBondContact N-O 3.15Å; D512-V603 HydrophobicContact CB-CG1 3.93Å
513P91.1Very high86.3Confident101 Ų10147.4 Ų47.466%0.65625%0.249SC*.EExtended strand (participates in β ladder)trans-57.9-28175.9-26.735.9000113.7
514G90.8Very high85.6Confident29 Ų2946.7 Ų46.730%0.29926%0.258SS..EExtended strand (participates in β ladder)trans-99.231.2172.200000113.9D512 T516D512-G514 PolarHBondContact O-N 3.29Å; D512-G514 VanDerWaalsContact O-N 3.15Å; D512-G514 PolarHBondContact OD1-N 2.73Å; G514-T516 PolarHBondContact O-N 3.05Å
515L93.3Very high85Confident0 Ų049 Ų490%027%0.272CS..EExtended strand (participates in β ladder)trans-51.5130.5172.4173.664.6000109.7Y507 C511 D512 E528 G529 M530 V603 F605Y507-L515 WeakPolarHBondContact OH-CD2 3.27Å; C511-L515 HydrophobicContact CB-CD2 4.21Å; D512-L515 WeakPolarHBondContact O-CB 3.42Å; D512-L515 PolarHBondContact O-N 2.61Å; L515-E528 CarbonylContact O-C 3.58Å; L515-E528 WeakPolarHBondContact O-CA 3.48Å; L515-G529 PolarHBondContact O-N 3.25Å; L515-M530 HydrophobicContact CB-CE 3.42Å; L515-M530 VanDerWaalsContact CB-CE 3.42Å; L515-M530 HydrophobicContact CD2-CE 3.59Å; L515-M530 HydrophobicContact CG-CE 4.09Å; L515-V603 VanDerWaalsContact CD1-C 3.5Å; L515-F605 HydrophobicContact CD1-CB 4.28Å
516T90.3Very high84.4Confident22 Ų2247.8 Ų47.814%0.13527%0.27CS..EExtended strand (participates in β ladder)trans-99.1134167.250.40000110.2G514 V527 E528 V603 H604 F605G514-T516 PolarHBondContact O-N 3.05Å; T516-V527 CarbonylContact C-O 3.59Å; T516-V527 WeakPolarHBondContact CA-O 3.45Å; T516-E528 HydrophobicContact CG2-CB 4.38Å; T516-E528 HydrophobicContact CG2-CG 4.22Å; T516-V603 PolarHBondContact N-O 2.91Å; T516-V603 PolarHBondContact OG1-O 2.95Å; T516-H604 CarbonylContact O-C 3.4Å; T516-H604 VanDerWaalsContact O-CA 3.3Å; T516-H604 WeakPolarHBondContact O-CA 3.38Å; T516-H604 PolarHBondContact O-ND1 2.82Å; T516-H604 VanDerWaalsContact O-ND1 3.17Å; T516-H604 PolarHBondContact OG1-ND1 3.27Å; T516-F605 PolarHBondContact O-N 3.35Å
517S85.5Confident83.9Confident0 Ų048.3 Ų48.30%027%0.271CS..EExtended strand (participates in β ladder)trans-123142.8174.765.30000113E519 V527 H533 F605S517-E519 WeakPolarHBondContact CB-OE1 3.4Å; S517-E519 PolarHBondContact OG-OE1 3.25Å; S517-V527 PolarHBondContact N-O 2.02Å; S517-V527 PolarHBondContact O-N 3.19Å; S517-H533 PolarHBondContact OG-CE1 2.8Å; S517-H533 VanDerWaalsContact OG-CE1 3.31Å; S517-H533 PolarHBondContact OG-NE2 3.11Å; S517-F605 CarbonylContact C-O 3.59Å; S517-F605 VanDerWaalsContact CA-O 3.28Å; S517-F605 WeakPolarHBondContact CA-O 3.38Å
518F82.1Confident83.6Confident75 Ų7555.3 Ų55.333%0.32930%0.304SS..EExtended strand (participates in β ladder)trans-126.4109.6167.5-167.7-84000107.6G524 L526 F605 H606 C607F518-G524 WeakPolarHBondContact CE2-O 3.46Å; F518-L526 HydrophobicContact CB-CD1 4.34Å; F518-F605 PolarHBondContact N-O 3.37Å; F518-H606 AromaticContact CD1-CD2 3.61Å; F518-H606 AromaticContact CD1-NE2 3.48Å; F518-H606 WeakPolarHBondContact CD1-NE2 3.49Å; F518-H606 CarbonylContact O-C 3.49Å; F518-H606 VanDerWaalsContact O-CA 3.27Å; F518-H606 WeakPolarHBondContact O-CA 3.33Å; F518-H606 PolarHBondContact O-CD2 2.92Å; F518-C607 PolarHBondContact O-N 2.96Å
519E80.8Confident82.9Confident8 Ų853.4 Ų53.44%0.03730%0.295CS..  trans-147.1158.3-171.263.6-155.4126.800111.2S517 E521 A522 F532 H533 F605 C607S517-E519 WeakPolarHBondContact CB-OE1 3.4Å; S517-E519 PolarHBondContact OG-OE1 3.25Å; E519-E521 PolarHBondContact O-N 2.84Å; E519-E521 VanDerWaalsContact O-N 3.15Å; E519-A522 HydrophobicContact CG-CB 4.19Å; E519-A522 WeakPolarHBondContact O-CB 3.3Å; E519-A522 PolarHBondContact O-N 3.39Å; E519-F532 HydrophobicContact CG-CE1 4.11Å; E519-F532 WeakPolarHBondContact OE1-CE1 3.44Å; E519-H533 IonicContact OE1-NE2 2.7Å; E519-H533 PolarHBondContact OE1-NE2 3.31Å; E519-F605 HydrophobicContact CB-CE1 4.49Å; E519-F605 WeakPolarHBondContact OE2-CE1 3.46Å; E519-C607 HydrophobicContact CB-CB 3.81Å
520P71.4Confident82.2Confident41 Ų4147 Ų4727%0.26627%0.272SS..G310 helixtrans-53.2-38.4-175.9-28.235.9000113.3A522 L523P520-A522 VanDerWaalsContact C-N 3.26Å; P520-A522 PolarHBondContact O-N 3.09Å; P520-L523 PolarHBondContact O-N 3.47Å
521E75.6Confident81.3Confident30 Ų3052.2 Ų52.214%0.1430%0.301CS..G310 helixtrans-70.2-18.5-179.9-57.294.5135.500113.8E519 L523 F532 Y536 P611 A612 A613E519-E521 PolarHBondContact O-N 2.84Å; E519-E521 VanDerWaalsContact O-N 3.15Å; E521-L523 PolarHBondContact O-N 2.46Å; E521-F532 HydrophobicContact CB-CZ 4.25Å; E521-Y536 HydrophobicContact CB-CE1 4.24Å; E521-Y536 WeakPolarHBondContact CB-OH 3.32Å; E521-Y536 HydrophobicContact CG-CE1 4.05Å; E521-P611 HydrophobicContact CG-CB 4.22Å; E521-P611 WeakPolarHBondContact OE1-CA 3.4Å; E521-P611 WeakPolarHBondContact OE1-CB 3.5Å; E521-A612 PolarHBondContact OE1-N 3.23Å; E521-A612 PolarHBondContact OE2-N 2.65Å; E521-A613 PolarHBondContact OE1-N 2.63Å
522A67.6Low80.2Confident7 Ų754.9 Ų54.96%0.05831%0.312CS..G310 helixtrans-78.3-0.8170.800000113.1E519 P520 G524 N525 V527 F532E519-A522 HydrophobicContact CG-CB 4.19Å; E519-A522 WeakPolarHBondContact O-CB 3.3Å; E519-A522 PolarHBondContact O-N 3.39Å; P520-A522 VanDerWaalsContact C-N 3.26Å; P520-A522 PolarHBondContact O-N 3.09Å; A522-G524 VanDerWaalsContact C-N 3.25Å; A522-G524 PolarHBondContact O-N 2.97Å; A522-N525 WeakPolarHBondContact CB-O 3.21Å; A522-N525 WeakPolarHBondContact O-CB 3.4Å; A522-N525 PolarHBondContact O-N 3.39Å; A522-N525 PolarHBondContact O-ND2 3.46Å; A522-V527 HydrophobicContact CB-CG2 3.66Å; A522-F532 HydrophobicContact CB-CE1 4.47Å; A522-F532 HydrophobicContact CB-CZ 4.27Å
523L72.1Confident79.4Confident151 Ų15154.6 Ų54.679%0.79131%0.31SS*.THydrogen-bonded Turntrans53.938.4177-56.1178.1000113.5P520 E521P520-L523 PolarHBondContact O-N 3.47Å; E521-L523 PolarHBondContact O-N 2.46Å
524G69.3Low78.8Confident52 Ų5253.3 Ų53.354%0.53629%0.294SS..THydrogen-bonded Turntrans84.15.5179.900000115.3F518 A522F518-G524 WeakPolarHBondContact CE2-O 3.46Å; A522-G524 VanDerWaalsContact C-N 3.25Å; A522-G524 PolarHBondContact O-N 2.97Å
525N72.6Confident78Confident102 Ų10257.6 Ų57.655%0.54531%0.305SS..  trans-90.3152.7173.5-58.3-79.9000111.4A522A522-N525 WeakPolarHBondContact CB-O 3.21Å; A522-N525 WeakPolarHBondContact O-CB 3.4Å; A522-N525 PolarHBondContact O-N 3.39Å; A522-N525 PolarHBondContact O-ND2 3.46Å
526L77.3Confident76.7Confident112 Ų11258.8 Ų58.859%0.58631%0.31SS*.  trans-84.5126164.6-173.572.8000108.6F518F518-L526 HydrophobicContact CB-CD1 4.34Å
527V77.6Confident75.8Confident26 Ų2658.3 Ų58.316%0.15831%0.305CS..EExtended strand (participates in β ladder)trans-104.2146.9177.51790000109.3T516 S517 A522 F532T516-V527 CarbonylContact C-O 3.59Å; T516-V527 WeakPolarHBondContact CA-O 3.45Å; S517-V527 PolarHBondContact N-O 2.02Å; S517-V527 PolarHBondContact O-N 3.19Å; A522-V527 HydrophobicContact CB-CG2 3.66Å; V527-F532 HydrophobicContact CG1-CB 3.55Å; V527-F532 HydrophobicContact CG1-CD1 4.06Å; V527-F532 HydrophobicContact CG1-CD2 4.46Å; V527-F532 HydrophobicContact CG1-CG 3.8Å; V527-F532 HydrophobicContact CG2-CD1 4.35Å; V527-F532 HydrophobicContact CG2-CE1 4.44Å; V527-F532 HydrophobicContact CG2-CG 4.42Å
528E84.8Confident75.2Confident152 Ų15263.4 Ų63.471%0.7133%0.329SS*.EExtended strand (participates in β ladder)trans-125.1138.6174.7-172.6176.1177.600110.2L515 T516L515-E528 CarbonylContact O-C 3.58Å; L515-E528 WeakPolarHBondContact O-CA 3.48Å; T516-E528 HydrophobicContact CG2-CB 4.38Å; T516-E528 HydrophobicContact CG2-CG 4.22Å
529G77.4Confident74.1Confident13 Ų1362.6 Ų62.613%0.13433%0.329CS..SBendtrans93.8-175.7174.400000115.5L515 H533L515-G529 PolarHBondContact O-N 3.25Å; G529-H533 PolarHBondContact O-ND1 3.32Å
530M81.1Confident73.2Confident28 Ų2864.5 Ų64.514%0.13834%0.339CS..SBendtrans-92.7-19.6-173.1-68.1-70.197.400114.3F504 Y507 T508 C511 L515 F532 H533 K534F504-M530 HydrophobicContact CZ-CB 4.41Å; Y507-M530 HydrophobicContact CD1-SD 4.13Å; Y507-M530 HydrophobicContact CE1-CE 4.11Å; Y507-M530 HydrophobicContact CE1-SD 3.72Å; T508-M530 HydrophobicContact CG2-CG 4.4Å; T508-M530 HydrophobicContact CG2-SD 4.1Å; C511-M530 HydrophobicContact CB-CE 3.76Å; C511-M530 HydrophobicContact CB-SD 3.95Å; L515-M530 HydrophobicContact CB-CE 3.42Å; L515-M530 VanDerWaalsContact CB-CE 3.42Å; L515-M530 HydrophobicContact CD2-CE 3.59Å; L515-M530 HydrophobicContact CG-CE 4.09Å; M530-F532 PolarHBondContact O-N 3.32Å; M530-H533 PolarHBondContact O-N 2.99Å; M530-K534 WeakPolarHBondContact O-CB 3.39Å; M530-K534 PolarHBondContact O-N 2.79Å
531D76.3Confident72.8Confident130 Ų13064.1 Ų64.170%0.69533%0.334SS*.Hα-helixtrans-66.4-34.9-169.1-68.7-39.2000113.5K534 F535D531-K534 WeakPolarHBondContact O-CB 3.24Å; D531-K534 PolarHBondContact O-N 3.48Å; D531-F535 PolarHBondContact O-N 3.33Å
532F72.8Confident71.9Confident58 Ų5866 Ų6625%0.25435%0.35SS..Hα-helixtrans-62.1-51.4172.9-173.4-108.4000111.2E519 E521 A522 V527 M530 K534 F535 Y536E519-F532 HydrophobicContact CG-CE1 4.11Å; E519-F532 WeakPolarHBondContact OE1-CE1 3.44Å; E521-F532 HydrophobicContact CB-CZ 4.25Å; A522-F532 HydrophobicContact CB-CE1 4.47Å; A522-F532 HydrophobicContact CB-CZ 4.27Å; V527-F532 HydrophobicContact CG1-CB 3.55Å; V527-F532 HydrophobicContact CG1-CD1 4.06Å; V527-F532 HydrophobicContact CG1-CD2 4.46Å; V527-F532 HydrophobicContact CG1-CG 3.8Å; V527-F532 HydrophobicContact CG2-CD1 4.35Å; V527-F532 HydrophobicContact CG2-CE1 4.44Å; V527-F532 HydrophobicContact CG2-CG 4.42Å; M530-F532 PolarHBondContact O-N 3.32Å; F532-K534 VanDerWaalsContact C-N 3.33Å; F532-K534 PolarHBondContact O-N 3.25Å; F532-F535 WeakPolarHBondContact O-CB 3.2Å; F532-F535 PolarHBondContact O-N 3.34Å; F532-Y536 AromaticContact CD1-CE2 3.81Å; F532-Y536 HydrophobicContact CD1-CE2 3.81Å; F532-Y536 AromaticContact CE1-CE2 3.69Å; F532-Y536 HydrophobicContact CE1-CE2 3.69Å; F532-Y536 AromaticContact CE1-CZ 3.91Å; F532-Y536 VanDerWaalsContact CE1-OH 3.29Å; F532-Y536 WeakPolarHBondContact CE1-OH 3.24Å; F532-Y536 HydrophobicContact CE2-CE2 4.49Å; F532-Y536 HydrophobicContact CG-CE2 4.28Å; F532-Y536 HydrophobicContact CZ-CE2 4.07Å; F532-Y536 AromaticContact CZ-CZ 3.97Å; F532-Y536 WeakPolarHBondContact CZ-OH 3.23Å; F532-Y536 WeakPolarHBondContact O-CD2 3.47Å; F532-Y536 VanDerWaalsContact O-CE2 3.22Å; F532-Y536 WeakPolarHBondContact O-CE2 3.41Å
533H78Confident71.1Confident10 Ų1072.1 Ų72.15%0.04638%0.376CS..Hα-helixtrans-59.9-42.3176.8-61.7105.8000111.9Y507 S517 E519 G529 M530 F535 Y536 F537Y507-H533 HydrophobicContact CE1-CB 3.88Å; Y507-H533 PolarHBondContact OH-CD2 3.44Å; Y507-H533 VanDerWaalsContact OH-CD2 3.26Å; Y507-H533 PolarHBondContact OH-NE2 2.92Å; S517-H533 PolarHBondContact OG-CE1 2.8Å; S517-H533 VanDerWaalsContact OG-CE1 3.31Å; S517-H533 PolarHBondContact OG-NE2 3.11Å; E519-H533 IonicContact OE1-NE2 2.7Å; E519-H533 PolarHBondContact OE1-NE2 3.31Å; G529-H533 PolarHBondContact O-ND1 3.32Å; M530-H533 PolarHBondContact O-N 2.99Å; H533-F535 PolarHBondContact O-N 3.42Å; H533-Y536 WeakPolarHBondContact O-CB 3.44Å; H533-Y536 WeakPolarHBondContact O-CD2 3.49Å; H533-Y536 PolarHBondContact O-N 3.26Å; H533-F537 WeakPolarHBondContact O-CD2 3.26Å; H533-F537 PolarHBondContact O-N 3.26Å
534K78.9Confident70.5Confident74 Ų7466.8 Ų66.832%0.32235%0.348SS..Hα-helixtrans-53.7-38.7178.9-175.1178.4168-174.80112.6F504 M530 D531 F532 Y536 F537 E538F504-K534 HydrophobicContact CE1-CB 4.27Å; F504-K534 HydrophobicContact CE1-CD 4.05Å; F504-K534 HydrophobicContact CE1-CG 3.9Å; F504-K534 HydrophobicContact CE2-CB 3.73Å; F504-K534 HydrophobicContact CE2-CG 4.15Å; F504-K534 HydrophobicContact CZ-CB 3.55Å; F504-K534 HydrophobicContact CZ-CD 4.05Å; F504-K534 HydrophobicContact CZ-CG 3.71Å; M530-K534 WeakPolarHBondContact O-CB 3.39Å; M530-K534 PolarHBondContact O-N 2.79Å; D531-K534 WeakPolarHBondContact O-CB 3.24Å; D531-K534 PolarHBondContact O-N 3.48Å; F532-K534 VanDerWaalsContact C-N 3.33Å; F532-K534 PolarHBondContact O-N 3.25Å; K534-Y536 VanDerWaalsContact C-N 3.3Å; K534-Y536 PolarHBondContact O-N 3.2Å; K534-F537 PolarHBondContact O-N 3.1Å; K534-E538 WeakPolarHBondContact CE-OE1 3.27Å; K534-E538 HydrophobicContact CG-CG 4.3Å; K534-E538 IonicContact NZ-OE1 2.74Å; K534-E538 PolarHBondContact O-N 3.17Å
535F73.4Confident69.9Low119 Ų11972 Ų7252%0.52236%0.363SS..Hα-helixtrans-57.1-41176.3179.7-97.1000112.7D531 F532 H533 N539 L540D531-F535 PolarHBondContact O-N 3.33Å; F532-F535 WeakPolarHBondContact O-CB 3.2Å; F532-F535 PolarHBondContact O-N 3.34Å; H533-F535 PolarHBondContact O-N 3.42Å; F535-N539 WeakPolarHBondContact CD2-ND2 3.25Å; F535-N539 HydrophobicContact CE2-CB 4.44Å; F535-N539 HydrophobicContact CZ-CB 4.35Å; F535-N539 VanDerWaalsContact O-CB 3.29Å; F535-N539 WeakPolarHBondContact O-CB 3.33Å; F535-N539 PolarHBondContact O-N 2.71Å; F535-N539 PolarHBondContact O-ND2 3.26Å; F535-N539 VanDerWaalsContact O-ND2 3.13Å; F535-L540 HydrophobicContact CD1-CD1 4.2Å; F535-L540 HydrophobicContact CE1-CD1 3.97Å
536Y65.8Low69.6Low25 Ų2570.4 Ų70.410%0.09835%0.352CS..Hα-helixtrans-66.6-43.5176.8-58.8-91.8000112.2E521 F532 H533 K534 L540 L541 A613E521-Y536 HydrophobicContact CB-CE1 4.24Å; E521-Y536 WeakPolarHBondContact CB-OH 3.32Å; E521-Y536 HydrophobicContact CG-CE1 4.05Å; F532-Y536 AromaticContact CD1-CE2 3.81Å; F532-Y536 HydrophobicContact CD1-CE2 3.81Å; F532-Y536 AromaticContact CE1-CE2 3.69Å; F532-Y536 HydrophobicContact CE1-CE2 3.69Å; F532-Y536 AromaticContact CE1-CZ 3.91Å; F532-Y536 VanDerWaalsContact CE1-OH 3.29Å; F532-Y536 WeakPolarHBondContact CE1-OH 3.24Å; F532-Y536 HydrophobicContact CE2-CE2 4.49Å; F532-Y536 HydrophobicContact CG-CE2 4.28Å; F532-Y536 HydrophobicContact CZ-CE2 4.07Å; F532-Y536 AromaticContact CZ-CZ 3.97Å; F532-Y536 WeakPolarHBondContact CZ-OH 3.23Å; F532-Y536 WeakPolarHBondContact O-CD2 3.47Å; F532-Y536 VanDerWaalsContact O-CE2 3.22Å; F532-Y536 WeakPolarHBondContact O-CE2 3.41Å; H533-Y536 WeakPolarHBondContact O-CB 3.44Å; H533-Y536 WeakPolarHBondContact O-CD2 3.49Å; H533-Y536 PolarHBondContact O-N 3.26Å; K534-Y536 VanDerWaalsContact C-N 3.3Å; K534-Y536 PolarHBondContact O-N 3.2Å; Y536-L540 HydrophobicContact CD1-CD1 3.97Å; Y536-L540 HydrophobicContact CG-CD1 4.48Å; Y536-L540 WeakPolarHBondContact O-CA 3.47Å; Y536-L540 PolarHBondContact O-N 2.89Å; Y536-L541 PolarHBondContact O-N 3.28Å; Y536-A613 HydrophobicContact CD1-CB 4.41Å
537F72Confident68.8Low11 Ų1168.4 Ų68.45%0.04835%0.346CS..Iπ-helixtrans-60.8-46.5176.8-80.6-95.9000111.1I499 G502 F504 Y507 H533 K534 L541 S542I499-F537 HydrophobicContact CB-CZ 4.4Å; I499-F537 HydrophobicContact CG1-CZ 4.03Å; G502-F537 VanDerWaalsContact C-CD1 3.47Å; F504-F537 HydrophobicContact CB-CB 4.04Å; F504-F537 HydrophobicContact CB-CD1 3.72Å; F504-F537 HydrophobicContact CB-CE1 4.36Å; F504-F537 HydrophobicContact CB-CG 3.93Å; F504-F537 HydrophobicContact CD2-CB 3.96Å; F504-F537 HydrophobicContact CD2-CD1 4.17Å; F504-F537 AromaticContact CD2-CD2 3.7Å; F504-F537 HydrophobicContact CD2-CD2 3.7Å; F504-F537 HydrophobicContact CD2-CE2 4.2Å; F504-F537 AromaticContact CD2-CG 3.68Å; F504-F537 HydrophobicContact CD2-CG 3.68Å; F504-F537 HydrophobicContact CE2-CD2 4.38Å; F504-F537 HydrophobicContact CG-CB 4.26Å; F504-F537 HydrophobicContact CG-CD1 4.45Å; F504-F537 HydrophobicContact CG-CG 4.23Å; Y507-F537 HydrophobicContact CD1-CE2 4.02Å; Y507-F537 HydrophobicContact CD1-CZ 4.23Å; Y507-F537 AromaticContact CD2-CE2 3.98Å; Y507-F537 HydrophobicContact CD2-CE2 3.98Å; Y507-F537 AromaticContact CD2-CZ 3.67Å; Y507-F537 HydrophobicContact CD2-CZ 3.67Å; Y507-F537 HydrophobicContact CE1-CE2 4.35Å; Y507-F537 HydrophobicContact CE2-CE2 4.31Å; Y507-F537 HydrophobicContact CE2-CZ 4.38Å; Y507-F537 AromaticContact CG-CE2 3.83Å; Y507-F537 HydrophobicContact CG-CE2 3.83Å; Y507-F537 AromaticContact CG-CZ 3.58Å; Y507-F537 HydrophobicContact CG-CZ 3.58Å; H533-F537 WeakPolarHBondContact O-CD2 3.26Å; H533-F537 PolarHBondContact O-N 3.26Å; K534-F537 PolarHBondContact O-N 3.1Å; F537-L541 HydrophobicContact CD1-CD1 4.17Å; F537-L541 HydrophobicContact CD2-CD1 4.13Å; F537-L541 HydrophobicContact CE1-CD1 4.3Å; F537-L541 HydrophobicContact CE2-CD1 4.27Å; F537-L541 HydrophobicContact CG-CD1 4.09Å; F537-L541 HydrophobicContact CZ-CD1 4.35Å; F537-S542 WeakPolarHBondContact O-CB 3.24Å; F537-S542 PolarHBondContact O-N 3.03Å; F537-S542 VanDerWaalsContact O-N 3.16Å; F537-S542 PolarHBondContact O-OG 3Å
538E71.4Confident68.1Low107 Ų10768.6 Ų68.650%0.535%0.347SS..Iπ-helixtrans-73-32.2-178.7-70.7-177.5165.700113.9K534 S542K534-E538 WeakPolarHBondContact CE-OE1 3.27Å; K534-E538 HydrophobicContact CG-CG 4.3Å; K534-E538 IonicContact NZ-OE1 2.74Å; K534-E538 PolarHBondContact O-N 3.17Å; E538-S542 VanDerWaalsContact C-OG 3.29Å; E538-S542 PolarHBondContact O-OG 2.63Å
539N60.5Low67.3Low59 Ų5961.5 Ų61.532%0.31631%0.314SS..Iπ-helixtrans-115.2-29.3-168.5-67-77.1000116.6F535 K543F535-N539 WeakPolarHBondContact CD2-ND2 3.25Å; F535-N539 HydrophobicContact CE2-CB 4.44Å; F535-N539 HydrophobicContact CZ-CB 4.35Å; F535-N539 VanDerWaalsContact O-CB 3.29Å; F535-N539 WeakPolarHBondContact O-CB 3.33Å; F535-N539 PolarHBondContact O-N 2.71Å; F535-N539 PolarHBondContact O-ND2 3.26Å; F535-N539 VanDerWaalsContact O-ND2 3.13Å; N539-K543 WeakPolarHBondContact O-CD 3.29Å
540L62.3Low67Low48 Ų4861.4 Ų61.425%0.25131%0.31SS..Iπ-helixtrans-109.3-47.8-175.7-68.997.8000112.3F535 Y536 L615F535-L540 HydrophobicContact CD1-CD1 4.2Å; F535-L540 HydrophobicContact CE1-CD1 3.97Å; Y536-L540 HydrophobicContact CD1-CD1 3.97Å; Y536-L540 HydrophobicContact CG-CD1 4.48Å; Y536-L540 WeakPolarHBondContact O-CA 3.47Å; Y536-L540 PolarHBondContact O-N 2.89Å; L540-L615 HydrophobicContact CD2-CD2 3.52Å
541L61.7Low66.9Low33 Ų3362 Ų6217%0.17332%0.316CS..Iπ-helixtrans-78.6-43.1-175.8-60.8167.6000111.5I499 Y536 F537 K543 N544 A613I499-L541 HydrophobicContact CG2-CD1 4.29Å; Y536-L541 PolarHBondContact O-N 3.28Å; F537-L541 HydrophobicContact CD1-CD1 4.17Å; F537-L541 HydrophobicContact CD2-CD1 4.13Å; F537-L541 HydrophobicContact CE1-CD1 4.3Å; F537-L541 HydrophobicContact CE2-CD1 4.27Å; F537-L541 HydrophobicContact CG-CD1 4.09Å; F537-L541 HydrophobicContact CZ-CD1 4.35Å; L541-K543 PolarHBondContact O-N 3.17Å; L541-N544 PolarHBondContact O-N 2.89Å; L541-A613 HydrophobicContact CD2-CB 4.42Å
542S56.7Low67.2Low68 Ų6857.8 Ų57.848%0.47629%0.293SS..THydrogen-bonded Turntrans-58.8-28.717863.90000114.9F537 E538F537-S542 WeakPolarHBondContact O-CB 3.24Å; F537-S542 PolarHBondContact O-N 3.03Å; F537-S542 VanDerWaalsContact O-N 3.16Å; F537-S542 PolarHBondContact O-OG 3Å; E538-S542 VanDerWaalsContact C-OG 3.29Å; E538-S542 PolarHBondContact O-OG 2.63Å
543K52.1Low67.7Low137 Ų13758.3 Ų58.360%0.59630%0.298SS*.THydrogen-bonded Turntrans-95.6-13.1-176.3-62.9178.5-1651540112.8N539 L541 N545N539-K543 WeakPolarHBondContact O-CD 3.29Å; L541-K543 PolarHBondContact O-N 3.17Å; K543-N545 PolarHBondContact O-N 3.03Å
544N58.3Low68Low39 Ų3962.9 Ų62.921%0.20932%0.323CS..  trans-8283.7-178.2-165.5-1.1000111.2L541 K546 V548L541-N544 PolarHBondContact O-N 2.89Å; N544-K546 PolarHBondContact O-N 3.23Å; N544-K546 WeakPolarHBondContact OD1-CB 3.18Å; N544-K546 PolarHBondContact OD1-N 3.02Å; N544-K546 VanDerWaalsContact OD1-N 3.09Å; N544-K546 PolarHBondContact OD1-O 3.36Å; N544-V548 WeakPolarHBondContact ND2-CG2 3.3Å
545N58.1Low68.5Low160 Ų16061.9 Ų61.986%0.85632%0.324SS*.  trans-69.7-7.3172-76-30.4000113.4K543K543-N545 PolarHBondContact O-N 3.03Å
546K64.7Low69.3Low69 Ų6961.5 Ų61.530%0.332%0.323SS..SBendtrans-83.7144.6179.3-63.3-170.6-174.4-171.10110.3N544 V548 V576 D577 S578N544-K546 PolarHBondContact O-N 3.23Å; N544-K546 WeakPolarHBondContact OD1-CB 3.18Å; N544-K546 PolarHBondContact OD1-N 3.02Å; N544-K546 VanDerWaalsContact OD1-N 3.09Å; N544-K546 PolarHBondContact OD1-O 3.36Å; K546-V548 PolarHBondContact O-N 3.16Å; K546-V576 HydrophobicContact CB-CB 4.48Å; K546-V576 HydrophobicContact CD-CB 4.13Å; K546-V576 HydrophobicContact CD-CG1 4.09Å; K546-V576 WeakPolarHBondContact CD-O 3.34Å; K546-D577 PolarHBondContact NZ-O 3.26Å; K546-S578 PolarHBondContact NZ-O 3.3Å
547P60.9Low70.7Confident71 Ų7160.5 Ų60.546%0.46132%0.32SS..  trans-52.5124.4172.811.3-22.9000112.5F314 V576F314-P547 HydrophobicContact CD1-CB 3.84Å; F314-P547 HydrophobicContact CE1-CB 3.02Å; F314-P547 HydrophobicContact CE1-CG 4.44Å; F314-P547 HydrophobicContact CE2-CB 4.06Å; F314-P547 VanDerWaalsContact CZ-C 3.5Å; F314-P547 HydrophobicContact CZ-CB 3.16Å; P547-V576 HydrophobicContact CG-CG2 4.44Å
548V63.3Low71.8Confident30 Ų3065.1 Ų65.118%0.18234%0.342CS..EExtended strand (participates in β ladder)trans-111.5124.2159.4-176.80000112.8F314 N544 K546 T573 Q574 F575 P614F314-V548 VanDerWaalsContact CE1-O 3.29Å; F314-V548 WeakPolarHBondContact CE1-O 3.33Å; F314-V548 VanDerWaalsContact CZ-C 3.44Å; F314-V548 VanDerWaalsContact CZ-N 3.27Å; F314-V548 WeakPolarHBondContact CZ-O 3.29Å; N544-V548 WeakPolarHBondContact ND2-CG2 3.3Å; K546-V548 PolarHBondContact O-N 3.16Å; V548-T573 HydrophobicContact CG1-CG2 3.6Å; V548-Q574 CarbonylContact C-O 3.57Å; V548-F575 HydrophobicContact CG1-CB 4.43Å; V548-F575 HydrophobicContact CG2-CB 4.04Å; V548-P614 HydrophobicContact CG1-CG 4.49Å; V548-P614 HydrophobicContact CG2-CG 4.33Å
549H67.1Low72.9Confident3 Ų362.5 Ų62.51%0.01433%0.331CS..EExtended strand (participates in β ladder)trans-93.9150.4174.6-175.849.5000111.2S311 F314 S315 T551 T573 Q574S311-H549 PolarHBondContact O-CE1 2.98Å; S311-H549 PolarHBondContact O-ND1 3.28Å; F314-H549 HydrophobicContact CB-CB 3.83Å; F314-H549 HydrophobicContact CD1-CB 3.6Å; F314-H549 HydrophobicContact CE1-CB 4.16Å; F314-H549 VanDerWaalsContact CE1-N 3.26Å; F314-H549 HydrophobicContact CG-CB 4.05Å; S315-H549 VanDerWaalsContact CB-NE2 3.34Å; S315-H549 WeakPolarHBondContact CB-NE2 3.35Å; S315-H549 PolarHBondContact OG-CD2 2.8Å; S315-H549 PolarHBondContact OG-NE2 3.32Å; H549-T551 PolarHBondContact NE2-OG1 3.16Å; H549-T573 CarbonylContact O-C 3.58Å; H549-T573 VanDerWaalsContact O-CA 3.31Å; H549-T573 WeakPolarHBondContact O-CA 3.31Å; H549-Q574 HydrophobicContact CB-CB 3.97Å; H549-Q574 HydrophobicContact CB-CG 4.47Å; H549-Q574 WeakPolarHBondContact CB-O 3.3Å; H549-Q574 PolarHBondContact CD2-OE1 2.86Å; H549-Q574 PolarHBondContact N-O 3.23Å; H549-Q574 PolarHBondContact O-N 3.22Å
550T72.8Confident74.5Confident10 Ų1062.9 Ų62.96%0.06133%0.332CS..EExtended strand (participates in β ladder)trans-135.9135.2164-64.20000111.1I496 N500 L552 R571 L572I496-T550 HydrophobicContact CG2-CG2 3.73Å; N500-T550 WeakPolarHBondContact ND2-CB 3.39Å; N500-T550 PolarHBondContact ND2-OG1 3Å; N500-T550 PolarHBondContact OD1-OG1 3.17Å; T550-L552 HydrophobicContact CG2-CD2 3.94Å; T550-R571 HydrophobicContact CG2-CG 3.45Å; T550-R571 VanDerWaalsContact CG2-CG 3.45Å; T550-L572 WeakPolarHBondContact CA-O 3.43Å
551T78.4Confident75.8Confident41 Ų4163.7 Ų63.725%0.25235%0.352SS..EExtended strand (participates in β ladder)trans-118134.9164.1-72.80000109.5H549 L553 L572H549-T551 PolarHBondContact NE2-OG1 3.16Å; T551-L553 HydrophobicContact CG2-CD2 3.55Å; T551-L553 HydrophobicContact CG2-CG 3.96Å; T551-L572 PolarHBondContact N-O 3.33Å; T551-L572 PolarHBondContact O-N 2.94Å
552L82.4Confident77.1Confident41 Ų4169.1 Ų69.122%0.21538%0.376CS..EExtended strand (participates in β ladder)trans-94.7115170.2-51.2-174.4000108.8E493 I496 T550 Y569 R571E493-L552 HydrophobicContact CG-CD1 4.08Å; I496-L552 HydrophobicContact CG1-CD2 4.41Å; T550-L552 HydrophobicContact CG2-CD2 3.94Å; L552-Y569 HydrophobicContact CD2-CD2 3.7Å; L552-Y569 HydrophobicContact CD2-CE2 3.67Å; L552-R571 HydrophobicContact CD2-CB 4.49Å; L552-R571 HydrophobicContact CD2-CG 4.19Å
553L82.4Confident78.9Confident69 Ų6969.1 Ų69.136%0.36137%0.371SS..EExtended strand (participates in β ladder)trans-101.7137.3179.4-61.4175.2000110T551 I570 L572T551-L553 HydrophobicContact CG2-CD2 3.55Å; T551-L553 HydrophobicContact CG2-CG 3.96Å; L553-I570 HydrophobicContact CB-CB 4.15Å; L553-I570 PolarHBondContact N-O 3.44Å; L553-I570 PolarHBondContact O-N 3.28Å; L553-L572 HydrophobicContact CD1-CB 4.28Å
554N84.4Confident81Confident107 Ų10763.2 Ų63.257%0.57235%0.348SS*.EExtended strand (participates in β ladder)trans46.158.4176.7-56.1-26000114.3H556N554-H556 PolarHBondContact O-CD2 3.29Å; N554-H556 PolarHBondContact O-N 2.95Å
555P89.4Confident82.9Confident53 Ų5361.3 Ų61.334%0.34434%0.338SS..EExtended strand (participates in β ladder)trans-68.2113178.327.7-34.1000112.1I567P555-I567 HydrophobicContact CB-CD1 4.14Å
556H91.2Very high84.7Confident110 Ų11054.2 Ų54.251%0.50930%0.3SS..EExtended strand (participates in β ladder)trans-102.2103.3177.6-73.2-79.7000111N554 I567 A568N554-H556 PolarHBondContact O-CD2 3.29Å; N554-H556 PolarHBondContact O-N 2.95Å; H556-I567 WeakPolarHBondContact O-CA 3.43Å; H556-A568 PolarHBondContact N-O 3.1Å; H556-A568 PolarHBondContact O-N 3.4Å; H556-A568 VanDerWaalsContact O-N 3.08Å
557V95.5Very high86.2Confident5 Ų551 Ų513%0.0329%0.286CS..EExtended strand (participates in β ladder)trans-92.1124.2176.5-176.10000111.9K485 I488 I489 L559 I567K485-V557 HydrophobicContact CB-CB 4.32Å; K485-V557 HydrophobicContact CB-CG1 4.35Å; K485-V557 HydrophobicContact CD-CB 4.16Å; K485-V557 VanDerWaalsContact CE-O 3.23Å; K485-V557 WeakPolarHBondContact CE-O 3.37Å; K485-V557 HydrophobicContact CG-CB 4.01Å; K485-V557 HydrophobicContact CG-CG1 3.93Å; K485-V557 PolarHBondContact NZ-O 3.39Å; I488-V557 HydrophobicContact CB-CG1 3.95Å; I488-V557 HydrophobicContact CB-CG2 4.43Å; I488-V557 HydrophobicContact CG1-CG1 4.26Å; I488-V557 HydrophobicContact CG2-CG1 3.9Å; I488-V557 HydrophobicContact CG2-CG2 4.22Å; I489-V557 HydrophobicContact CD1-CG2 4.21Å; I489-V557 HydrophobicContact CG1-CG2 3.73Å; V557-L559 HydrophobicContact CG1-CD2 3.91Å; V557-L559 HydrophobicContact CG1-CG 4.39Å; V557-I567 HydrophobicContact CG2-CB 4.28Å; V557-I567 HydrophobicContact CG2-CD1 3.79Å; V557-I567 HydrophobicContact CG2-CG1 3.78Å
558H94.8Very high87.9Confident107 Ų10749 Ų4950%0.49528%0.276SS..EExtended strand (participates in β ladder)trans-106.4121.3167.7-65.5104.7000110A565 C566H558-A565 CarbonylContact O-C 3.52Å; H558-A565 WeakPolarHBondContact O-CA 3.3Å; H558-C566 HydrophobicContact CB-CB 4.5Å; H558-C566 PolarHBondContact N-O 2.98Å; H558-C566 PolarHBondContact O-N 2.83Å
559L94.6Very high89.2Confident52 Ų5248 Ų4827%0.27227%0.269SS..EExtended strand (participates in β ladder)trans-93.5129.9176.8-60.4176.3000109.3R484 K485 I488 V557 A565R484-L559 HydrophobicContact CB-CD1 4.08Å; R484-L559 HydrophobicContact CG-CD1 4.03Å; R484-L559 HydrophobicContact CG-CD2 3.91Å; K485-L559 HydrophobicContact CG-CD1 3.94Å; K485-L559 HydrophobicContact CG-CD2 4.47Å; K485-L559 HydrophobicContact CG-CG 4.13Å; I488-L559 HydrophobicContact CG1-CD2 4.09Å; V557-L559 HydrophobicContact CG1-CD2 3.91Å; V557-L559 HydrophobicContact CG1-CG 4.39Å; L559-A565 HydrophobicContact CD2-CB 4.02Å
560I92.9Very high90.2Very high68 Ų6849.8 Ų49.835%0.34928%0.278SS..EExtended strand (participates in β ladder)trans-120.994.6-174-55.3174.2000108.2A564 C566I560-A564 CarbonylContact C-O 3.57Å; I560-A564 HydrophobicContact CB-CB 3.99Å; I560-A564 HydrophobicContact CG2-CB 4.33Å; I560-A564 PolarHBondContact N-O 3.47Å; I560-A564 CarbonylContact O-C 3.54Å; I560-A564 WeakPolarHBondContact O-CB 3.47Å; I560-A564 PolarHBondContact O-N 3.4Å; I560-A564 VanDerWaalsContact O-O 3.04Å; I560-C566 HydrophobicContact CD1-CB 4.37Å
561G90.5Very high90.8Very high64 Ų6449.5 Ų49.566%0.6628%0.276SS*.THydrogen-bonded Turntrans64-148.5-176.200000113.1
562E89.2Confident91Very high147 Ų14749.7 Ų49.769%0.68728%0.275SS*.THydrogen-bonded Turntrans-97.3-9.7-175.4-73.2-160.7-168.200115.6R484 R595R484-E562 VanDerWaalsContact CZ-O 3.23Å; R484-E562 PolarHBondContact NH1-O 3.47Å; R484-E562 PolarHBondContact NH2-O 3.36Å; E562-R595 PolarHBondContact O-NH2 3.11Å
563D94.4Very high90.7Very high68 Ų6848 Ų4836%0.36427%0.266SS..THydrogen-bonded Turntrans-134.21.6-175.6-65.7-64.3000114.3H594 R595 W600D563-H594 CarbonylContact O-C 3.58Å; D563-H594 WeakPolarHBondContact O-CA 3.48Å; D563-R595 HydrophobicContact CB-CB 4.14Å; D563-R595 PolarHBondContact O-N 3.34Å; D563-R595 IonicContact OD1-CZ 3.79Å; D563-R595 IonicContact OD1-NE 3.4Å; D563-R595 PolarHBondContact OD1-NE 3.24Å; D563-R595 IonicContact OD1-NH2 3.8Å; D563-R595 PolarHBondContact OD1-NH2 3.15Å; D563-W600 WeakPolarHBondContact O-CZ3 3.01Å
564A95.8Very high90.4Very high13 Ų1346.7 Ų46.711%0.10726%0.258CS..EExtended strand (participates in β ladder)trans-126.5152.6176.200000112.8I560 W593I560-A564 CarbonylContact C-O 3.57Å; I560-A564 HydrophobicContact CB-CB 3.99Å; I560-A564 HydrophobicContact CG2-CB 4.33Å; I560-A564 PolarHBondContact N-O 3.47Å; I560-A564 CarbonylContact O-C 3.54Å; I560-A564 WeakPolarHBondContact O-CB 3.47Å; I560-A564 PolarHBondContact O-N 3.4Å; I560-A564 VanDerWaalsContact O-O 3.04Å; A564-W593 WeakPolarHBondContact CA-O 3.44Å
565A97.3Very high89.7Confident0 Ų043 Ų430%024%0.238CC..EExtended strand (participates in β ladder)trans-151.5156170.600000110.4I488 H558 L559 W593 W600I488-A565 HydrophobicContact CD1-CB 3.55Å; I488-A565 HydrophobicContact CG1-CB 3.65Å; I488-A565 HydrophobicContact CG2-CB 4.31Å; H558-A565 CarbonylContact O-C 3.52Å; H558-A565 WeakPolarHBondContact O-CA 3.3Å; L559-A565 HydrophobicContact CD2-CB 4.02Å; A565-W593 HydrophobicContact CB-CB 4.37Å; A565-W593 PolarHBondContact N-O 2.95Å; A565-W593 PolarHBondContact O-N 3.23Å; A565-W600 HydrophobicContact CB-CH2 4.19Å; A565-W600 HydrophobicContact CB-CZ3 4.32Å
566C96.7Very high88.9Confident10 Ų1042.4 Ų42.47%0.06823%0.233CC..EExtended strand (participates in β ladder)trans-125.7139.2170179.60000108.3H558 I560 T590 R591H558-C566 HydrophobicContact CB-CB 4.5Å; H558-C566 PolarHBondContact N-O 2.98Å; H558-C566 PolarHBondContact O-N 2.83Å; I560-C566 HydrophobicContact CD1-CB 4.37Å; C566-T590 VanDerWaalsContact SG-CG2 3.59Å; C566-R591 WeakPolarHBondContact CA-O 3.4Å
567I97.1Very high88.1Confident1 Ų138 Ų381%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-126.8131171.6-170.1179.3000108.8I488 I489 T492 P555 H556 V557 Y569 T590 R591I488-I567 HydrophobicContact CG2-CB 4.07Å; I488-I567 HydrophobicContact CG2-CG2 4.31Å; I489-I567 HydrophobicContact CG1-CD1 4.15Å; T492-I567 HydrophobicContact CG2-CD1 4.35Å; T492-I567 HydrophobicContact CG2-CG2 4.28Å; P555-I567 HydrophobicContact CB-CD1 4.14Å; H556-I567 WeakPolarHBondContact O-CA 3.43Å; V557-I567 HydrophobicContact CG2-CB 4.28Å; V557-I567 HydrophobicContact CG2-CD1 3.79Å; V557-I567 HydrophobicContact CG2-CG1 3.78Å; I567-Y569 HydrophobicContact CD1-CD1 4.23Å; I567-Y569 HydrophobicContact CG1-CD1 4.09Å; I567-Y569 HydrophobicContact CG2-CD1 4.35Å; I567-Y569 HydrophobicContact CG2-CE1 4.19Å; I567-T590 CarbonylContact O-C 3.6Å; I567-T590 WeakPolarHBondContact O-CA 3.21Å; I567-R591 HydrophobicContact CG2-CB 3.98Å; I567-R591 PolarHBondContact N-O 2.67Å; I567-R591 PolarHBondContact O-N 3.3Å
568A94.8Very high87.1Confident30 Ų3041.5 Ų41.525%0.24824%0.238CC..EExtended strand (participates in β ladder)trans-116.2137.5170.100000108.9H556 E589H556-A568 PolarHBondContact N-O 3.1Å; H556-A568 PolarHBondContact O-N 3.4Å; H556-A568 VanDerWaalsContact O-N 3.08Å; A568-E589 WeakPolarHBondContact CA-O 3.46Å
569Y91.8Very high86.3Confident9 Ų941.1 Ų41.14%0.03524%0.243CC..EExtended strand (participates in β ladder)trans-154159.6-179.654.4-89.6000110.7T492 L552 I567 R571 E589 R591T492-Y569 HydrophobicContact CG2-CD1 4.32Å; T492-Y569 HydrophobicContact CG2-CE1 3.53Å; L552-Y569 HydrophobicContact CD2-CD2 3.7Å; L552-Y569 HydrophobicContact CD2-CE2 3.67Å; I567-Y569 HydrophobicContact CD1-CD1 4.23Å; I567-Y569 HydrophobicContact CG1-CD1 4.09Å; I567-Y569 HydrophobicContact CG2-CD1 4.35Å; I567-Y569 HydrophobicContact CG2-CE1 4.19Å; Y569-R571 HydrophobicContact CD2-CB 4.2Å; Y569-R571 HydrophobicContact CE2-CB 4.04Å; Y569-E589 HydrophobicContact CD2-CB 4.09Å; Y569-E589 HydrophobicContact CE1-CB 4.22Å; Y569-E589 HydrophobicContact CE2-CB 3.47Å; Y569-E589 VanDerWaalsContact CE2-CB 3.47Å; Y569-E589 HydrophobicContact CE2-CG 4.14Å; Y569-E589 WeakPolarHBondContact CE2-OE2 3.33Å; Y569-E589 PolarHBondContact N-O 3.15Å; Y569-E589 PolarHBondContact O-N 3.3Å; Y569-E589 PolarHBondContact OH-OE2 3.12Å; Y569-R591 HydrophobicContact CE1-CG 4.46Å; Y569-R591 PolarHBondContact OH-NE 3.09Å
570I87.4Confident85.2Confident40 Ų4040.8 Ų40.821%0.20525%0.252CS..EExtended strand (participates in β ladder)trans-94.1120.9168.2-64169.1000107.2L553 Q586 S587 E588L553-I570 HydrophobicContact CB-CB 4.15Å; L553-I570 PolarHBondContact N-O 3.44Å; L553-I570 PolarHBondContact O-N 3.28Å; I570-Q586 HydrophobicContact CG2-CG 3.5Å; I570-S587 CarbonylContact C-O 3.49Å; I570-E588 HydrophobicContact CG1-CG 4.13Å
571R86.4Confident84.3Confident4 Ų445.5 Ų45.52%0.01527%0.266CS..EExtended strand (participates in β ladder)trans-94.5116173.8-170.6-174.4174-163.5-3108.9N500 T550 L552 Y569 T573 Q586 S587 E589 A612N500-R571 PolarHBondContact OD1-NH2 2.83Å; T550-R571 HydrophobicContact CG2-CG 3.45Å; T550-R571 VanDerWaalsContact CG2-CG 3.45Å; L552-R571 HydrophobicContact CD2-CB 4.49Å; L552-R571 HydrophobicContact CD2-CG 4.19Å; Y569-R571 HydrophobicContact CD2-CB 4.2Å; Y569-R571 HydrophobicContact CE2-CB 4.04Å; R571-T573 PolarHBondContact NE-OG1 3.07Å; R571-Q586 WeakPolarHBondContact O-CA 3.5Å; R571-S587 PolarHBondContact N-O 3.33Å; R571-S587 PolarHBondContact O-N 3.33Å; R571-E589 HydrophobicContact CB-CG 4.41Å; R571-E589 WeakPolarHBondContact CD-OE1 3.45Å; R571-E589 IonicContact CZ-OE1 3.54Å; R571-E589 IonicContact NE-OE1 3.46Å; R571-E589 IonicContact NH1-OE1 2.7Å; R571-E589 PolarHBondContact NH1-OE1 2.79Å; R571-A612 PolarHBondContact NH1-O 3.33Å
572L81.2Confident83.6Confident46 Ų4647.7 Ų47.724%0.24127%0.268CS..EExtended strand (participates in β ladder)trans-96.3111.3169.8-175.170.5000108.6T550 T551 L553 Q574T550-L572 WeakPolarHBondContact CA-O 3.43Å; T551-L572 PolarHBondContact N-O 3.33Å; T551-L572 PolarHBondContact O-N 2.94Å; L553-L572 HydrophobicContact CD1-CB 4.28Å; L572-Q574 HydrophobicContact CG-CG 4.31Å
573T77.6Confident83.1Confident4 Ų447.2 Ų47.23%0.02526%0.26CS..EExtended strand (participates in β ladder)trans-104.6118.8-179.8-61.10000109.1V548 H549 R571 F575 S584 S585V548-T573 HydrophobicContact CG1-CG2 3.6Å; H549-T573 CarbonylContact O-C 3.58Å; H549-T573 VanDerWaalsContact O-CA 3.31Å; H549-T573 WeakPolarHBondContact O-CA 3.31Å; R571-T573 PolarHBondContact NE-OG1 3.07Å; T573-F575 HydrophobicContact CG2-CD1 4.47Å; T573-S584 CarbonylContact O-C 3.5Å; T573-S584 WeakPolarHBondContact O-CA 3.46Å; T573-S585 PolarHBondContact N-O 2.64Å; T573-S585 PolarHBondContact O-N 2.84Å; T573-S585 PolarHBondContact O-OG 3.28Å
574Q75.5Confident82.4Confident42 Ų4247.4 Ų47.420%0.19627%0.267CS..EExtended strand (participates in β ladder)trans-113.1131.2179.7-41.5-175.4-77.500109.6S315 V548 H549 L572 R583 S584S315-Q574 PolarHBondContact OG-OE1 3.18Å; V548-Q574 CarbonylContact C-O 3.57Å; H549-Q574 HydrophobicContact CB-CB 3.97Å; H549-Q574 HydrophobicContact CB-CG 4.47Å; H549-Q574 WeakPolarHBondContact CB-O 3.3Å; H549-Q574 PolarHBondContact CD2-OE1 2.86Å; H549-Q574 PolarHBondContact N-O 3.23Å; H549-Q574 PolarHBondContact O-N 3.22Å; L572-Q574 HydrophobicContact CG-CG 4.31Å; Q574-R583 VanDerWaalsContact CA-O 3.31Å; Q574-R583 WeakPolarHBondContact CA-O 3.49Å; Q574-S584 WeakPolarHBondContact CG-OG 3.48Å; Q574-S584 PolarHBondContact NE2-OG 3.31Å; Q574-S584 VanDerWaalsContact NE2-OG 3.11Å
575F70.4Confident81.7Confident31 Ų3147.8 Ų47.814%0.13627%0.269CS..EExtended strand (participates in β ladder)trans-146157-171.460.4-85.6000110.9V548 T573 D577 R583 P614V548-F575 HydrophobicContact CG1-CB 4.43Å; V548-F575 HydrophobicContact CG2-CB 4.04Å; T573-F575 HydrophobicContact CG2-CD1 4.47Å; F575-D577 HydrophobicContact CE2-CB 4.47Å; F575-R583 HydrophobicContact CD1-CB 4.4Å; F575-R583 HydrophobicContact CD2-CB 4.19Å; F575-R583 HydrophobicContact CE1-CB 4.06Å; F575-R583 HydrophobicContact CE2-CB 3.84Å; F575-R583 HydrophobicContact CE2-CG 4.23Å; F575-R583 HydrophobicContact CG-CB 4.47Å; F575-R583 HydrophobicContact CZ-CB 3.77Å; F575-R583 HydrophobicContact CZ-CG 4.46Å; F575-R583 PolarHBondContact N-O 3.26Å; F575-R583 PolarHBondContact O-N 2.85Å; F575-P614 HydrophobicContact CB-CG 4.45Å; F575-P614 HydrophobicContact CD1-CB 3.67Å; F575-P614 HydrophobicContact CD1-CG 4.24Å; F575-P614 HydrophobicContact CD2-CB 4.02Å; F575-P614 HydrophobicContact CE1-CB 3.68Å; F575-P614 HydrophobicContact CE2-CB 4.01Å; F575-P614 HydrophobicContact CG-CB 3.84Å; F575-P614 HydrophobicContact CG-CG 4.22Å; F575-P614 HydrophobicContact CZ-CB 3.84Å
576V72.7Confident81.2Confident40 Ų4052.2 Ų52.224%0.24229%0.29CS..EExtended strand (participates in β ladder)trans-92118.3172.8-177.70000108.6K546 P547 G580 R581 Q616K546-V576 HydrophobicContact CB-CB 4.48Å; K546-V576 HydrophobicContact CD-CB 4.13Å; K546-V576 HydrophobicContact CD-CG1 4.09Å; K546-V576 WeakPolarHBondContact CD-O 3.34Å; P547-V576 HydrophobicContact CG-CG2 4.44Å; V576-G580 VanDerWaalsContact CG1-C 3.44Å; V576-R581 WeakPolarHBondContact CA-O 3.45Å; V576-Q616 PolarHBondContact O-NE2 3.29Å
577D74.1Confident80.6Confident16 Ų1651.9 Ų51.99%0.08629%0.287CS..  trans-69173.6-1807025.6000112.6K546 F575 T579 G580 R581 R583K546-D577 PolarHBondContact NZ-O 3.26Å; F575-D577 HydrophobicContact CE2-CB 4.47Å; D577-T579 PolarHBondContact O-N 3.37Å; D577-T579 VanDerWaalsContact O-N 3.16Å; D577-T579 WeakPolarHBondContact OD1-CA 3.4Å; D577-T579 WeakPolarHBondContact OD1-CB 3.3Å; D577-T579 PolarHBondContact OD1-N 2.97Å; D577-T579 PolarHBondContact OD1-OG1 2.72Å; D577-G580 PolarHBondContact O-N 3.05Å; D577-G580 PolarHBondContact OD1-N 2.88Å; D577-R581 PolarHBondContact N-O 2.63Å; D577-R581 PolarHBondContact OD1-N 3.09Å; D577-R581 VanDerWaalsContact OD1-N 3.08Å; D577-R583 HydrophobicContact CB-CG 3.84Å; D577-R583 WeakPolarHBondContact OD2-CG 3.33Å; D577-R583 IonicContact OD2-CZ 3.15Å; D577-R583 IonicContact OD2-NE 2.74Å; D577-R583 PolarHBondContact OD2-NE 3.23Å; D577-R583 IonicContact OD2-NH2 2.72Å
578S73.3Confident80.4Confident80 Ų8055.5 Ų55.556%0.55930%0.304SS*.THydrogen-bonded Turntrans-52.7-36.3179.554.60000112.7K546 G580K546-S578 PolarHBondContact NZ-O 3.3Å; S578-G580 PolarHBondContact O-N 3.25Å
579T77.8Confident80.4Confident98 Ų9854.1 Ų54.160%0.60129%0.293SS*.THydrogen-bonded Turntrans-75.3-3.2178.477.50000114.9D577 R581D577-T579 PolarHBondContact O-N 3.37Å; D577-T579 VanDerWaalsContact O-N 3.16Å; D577-T579 WeakPolarHBondContact OD1-CA 3.4Å; D577-T579 WeakPolarHBondContact OD1-CB 3.3Å; D577-T579 PolarHBondContact OD1-N 2.97Å; D577-T579 PolarHBondContact OD1-OG1 2.72Å; T579-R581 WeakPolarHBondContact OG1-CG 3.4Å
580G73.4Confident80.5Confident45 Ų4554.7 Ų54.746%0.46430%0.297SS..SBendtrans84.610-178.600000113.9V576 D577 S578V576-G580 VanDerWaalsContact CG1-C 3.44Å; D577-G580 PolarHBondContact O-N 3.05Å; D577-G580 PolarHBondContact OD1-N 2.88Å; S578-G580 PolarHBondContact O-N 3.25Å
581R73.2Confident81Confident168 Ų16852.8 Ų52.863%0.63429%0.287SS*.  trans-92.3140.6179.6-66.8178.4177.8-166.7-0.1110.9V576 D577 T579V576-R581 WeakPolarHBondContact CA-O 3.45Å; D577-R581 PolarHBondContact N-O 2.63Å; D577-R581 PolarHBondContact OD1-N 3.09Å; D577-R581 VanDerWaalsContact OD1-N 3.08Å; T579-R581 WeakPolarHBondContact OG1-CG 3.4Å
582P75.9Confident81.6Confident110 Ų11053.7 Ų53.771%0.71429%0.293SS*.EExtended strand (participates in β ladder)trans-68.7134.3172.229.3-33.6000110.3
583R79.2Confident82.4Confident136 Ų13651.5 Ų51.551%0.51328%0.281SS..EExtended strand (participates in β ladder)trans-125.7165.3175.4-64-58-167.1151.112.1110Q574 F575 D577Q574-R583 VanDerWaalsContact CA-O 3.31Å; Q574-R583 WeakPolarHBondContact CA-O 3.49Å; F575-R583 HydrophobicContact CD1-CB 4.4Å; F575-R583 HydrophobicContact CD2-CB 4.19Å; F575-R583 HydrophobicContact CE1-CB 4.06Å; F575-R583 HydrophobicContact CE2-CB 3.84Å; F575-R583 HydrophobicContact CE2-CG 4.23Å; F575-R583 HydrophobicContact CG-CB 4.47Å; F575-R583 HydrophobicContact CZ-CB 3.77Å; F575-R583 HydrophobicContact CZ-CG 4.46Å; F575-R583 PolarHBondContact N-O 3.26Å; F575-R583 PolarHBondContact O-N 2.85Å; D577-R583 HydrophobicContact CB-CG 3.84Å; D577-R583 WeakPolarHBondContact OD2-CG 3.33Å; D577-R583 IonicContact OD2-CZ 3.15Å; D577-R583 IonicContact OD2-NE 2.74Å; D577-R583 PolarHBondContact OD2-NE 3.23Å; D577-R583 IonicContact OD2-NH2 2.72Å
584S78.9Confident83.3Confident73 Ų7354 Ų5451%0.5129%0.293SS..EExtended strand (participates in β ladder)trans-141.8134.5170.6-59.90000108.9T573 Q574T573-S584 CarbonylContact O-C 3.5Å; T573-S584 WeakPolarHBondContact O-CA 3.46Å; Q574-S584 WeakPolarHBondContact CG-OG 3.48Å; Q574-S584 PolarHBondContact NE2-OG 3.31Å; Q574-S584 VanDerWaalsContact NE2-OG 3.11Å
585S80.7Confident84.2Confident21 Ų2155.6 Ų55.615%0.14730%0.297CS..EExtended strand (participates in β ladder)trans-117.1151.5169.156.30000109.4T573T573-S585 PolarHBondContact N-O 2.64Å; T573-S585 PolarHBondContact O-N 2.84Å; T573-S585 PolarHBondContact O-OG 3.28Å
586Q86.4Confident85.3Confident93 Ų9359.5 Ų59.544%0.43531%0.311SS..EExtended strand (participates in β ladder)trans-119.1131.6175-178.6-179.3-5300108.5I570 R571 A610I570-Q586 HydrophobicContact CG2-CG 3.5Å; R571-Q586 WeakPolarHBondContact O-CA 3.5Å; Q586-A610 VanDerWaalsContact O-CB 3.29Å; Q586-A610 WeakPolarHBondContact O-CB 3.33Å; Q586-A610 PolarHBondContact O-N 3.41Å; Q586-A610 VanDerWaalsContact O-N 3.17Å
587S85.4Confident86.1Confident3 Ų365.6 Ų65.62%0.02134%0.342CS..EExtended strand (participates in β ladder)trans-121.8148.9164.154.60000110.5I570 R571 E589 C607 S608I570-S587 CarbonylContact C-O 3.49Å; R571-S587 PolarHBondContact N-O 3.33Å; R571-S587 PolarHBondContact O-N 3.33Å; S587-E589 PolarHBondContact OG-OE1 3.47Å; S587-C607 VanDerWaalsContact CB-SG 3.54Å; S587-S608 CarbonylContact C-O 3.55Å; S587-S608 WeakPolarHBondContact CA-O 3.49Å
588E92.1Very high86.7Confident77 Ų7767.9 Ų67.936%0.3637%0.37SS..EExtended strand (participates in β ladder)trans-99.9112.7170.1-76.6153.3-148.200106.9I570 C607 S608I570-E588 HydrophobicContact CG1-CG 4.13Å; E588-C607 CarbonylContact O-C 3.51Å; E588-C607 WeakPolarHBondContact O-CA 3.42Å; E588-S608 PolarHBondContact N-O 3.19Å; E588-S608 PolarHBondContact O-N 3.01Å
589E94.1Very high87.6Confident1 Ų171.2 Ų71.21%0.00537%0.374CS..EExtended strand (participates in β ladder)trans-115.4132.9-172.8-70.1-170.6-164.300110.6A568 Y569 R571 S587 R591 F605 H606A568-E589 WeakPolarHBondContact CA-O 3.46Å; Y569-E589 HydrophobicContact CD2-CB 4.09Å; Y569-E589 HydrophobicContact CE1-CB 4.22Å; Y569-E589 HydrophobicContact CE2-CB 3.47Å; Y569-E589 VanDerWaalsContact CE2-CB 3.47Å; Y569-E589 HydrophobicContact CE2-CG 4.14Å; Y569-E589 WeakPolarHBondContact CE2-OE2 3.33Å; Y569-E589 PolarHBondContact N-O 3.15Å; Y569-E589 PolarHBondContact O-N 3.3Å; Y569-E589 PolarHBondContact OH-OE2 3.12Å; R571-E589 HydrophobicContact CB-CG 4.41Å; R571-E589 WeakPolarHBondContact CD-OE1 3.45Å; R571-E589 IonicContact CZ-OE1 3.54Å; R571-E589 IonicContact NE-OE1 3.46Å; R571-E589 IonicContact NH1-OE1 2.7Å; R571-E589 PolarHBondContact NH1-OE1 2.79Å; S587-E589 PolarHBondContact OG-OE1 3.47Å; E589-R591 IonicContact OE2-CZ 3.89Å; E589-R591 IonicContact OE2-NE 2.68Å; E589-R591 IonicContact OE2-NH2 2.67Å; E589-R591 PolarHBondContact OE2-NH2 3.47Å; E589-F605 HydrophobicContact CB-CE2 4.11Å; E589-F605 HydrophobicContact CG-CE2 3.82Å; E589-F605 HydrophobicContact CG-CZ 4.26Å; E589-H606 CarbonylContact C-O 3.58Å; E589-H606 WeakPolarHBondContact CA-O 3.36Å
590T95.8Very high88.4Confident20 Ų2067.3 Ų67.312%0.12335%0.348CS..EExtended strand (participates in β ladder)trans-119.9131.7170-620000109.2A334 C566 I567 H606A334-T590 HydrophobicContact CB-CG2 4.32Å; C566-T590 VanDerWaalsContact SG-CG2 3.59Å; I567-T590 CarbonylContact O-C 3.6Å; I567-T590 WeakPolarHBondContact O-CA 3.21Å; T590-H606 PolarHBondContact N-O 3.43Å; T590-H606 PolarHBondContact O-N 3.25Å
591R97.6Very high89.5Confident1 Ų166.4 Ų66.40%0.00433%0.333CS..EExtended strand (participates in β ladder)trans-125.8131.2176.2-65.2-168.2-171.4-79.9-14111.1C566 I567 Y569 E589 N602 F605C566-R591 WeakPolarHBondContact CA-O 3.4Å; I567-R591 HydrophobicContact CG2-CB 3.98Å; I567-R591 PolarHBondContact N-O 2.67Å; I567-R591 PolarHBondContact O-N 3.3Å; Y569-R591 HydrophobicContact CE1-CG 4.46Å; Y569-R591 PolarHBondContact OH-NE 3.09Å; E589-R591 IonicContact OE2-CZ 3.89Å; E589-R591 IonicContact OE2-NE 2.68Å; E589-R591 IonicContact OE2-NH2 2.67Å; E589-R591 PolarHBondContact OE2-NH2 3.47Å; R591-N602 PolarHBondContact NH1-OD1 3.45Å; R591-N602 VanDerWaalsContact NH1-OD1 3.14Å; R591-F605 HydrophobicContact CG-CD2 4.02Å; R591-F605 VanDerWaalsContact CZ-CD2 3.41Å; R591-F605 VanDerWaalsContact CZ-CE2 3.48Å; R591-F605 VanDerWaalsContact NH1-CD2 3.26Å; R591-F605 VanDerWaalsContact NH2-CZ 3.35Å
592V97.7Very high90.7Very high22 Ų2258.4 Ų58.413%0.13330%0.303CS..EExtended strand (participates in β ladder)trans-99.8127.3171.6-171.50000108.7N602 V603 H604V592-N602 WeakPolarHBondContact O-CA 3.12Å; V592-N602 PolarHBondContact O-ND2 3.27Å; V592-V603 HydrophobicContact CB-CG2 4.11Å; V592-V603 HydrophobicContact CG1-CG2 3.88Å; V592-V603 WeakPolarHBondContact O-CG2 3.44Å; V592-V603 PolarHBondContact O-N 3.19Å; V592-H604 HydrophobicContact CB-CB 3.96Å; V592-H604 HydrophobicContact CG2-CB 3.94Å; V592-H604 PolarHBondContact N-O 3.14Å
593W98Very high91.7Very high0 Ų054.5 Ų54.50%028%0.277CS..EExtended strand (participates in β ladder)trans-111.4132.1-178.3-66.597.1000109.4I488 I491 T492 L495 I510 A564 A565 W600 L601 N602I488-W593 HydrophobicContact CD1-CB 4.26Å; I488-W593 HydrophobicContact CD1-CG 4.46Å; I491-W593 HydrophobicContact CB-CH2 4.26Å; I491-W593 HydrophobicContact CB-CZ3 4.3Å; I491-W593 HydrophobicContact CG1-CE3 4.21Å; I491-W593 HydrophobicContact CG1-CH2 3.7Å; I491-W593 HydrophobicContact CG1-CZ3 3.49Å; I491-W593 VanDerWaalsContact CG1-CZ3 3.49Å; I491-W593 HydrophobicContact CG2-CD2 3.97Å; I491-W593 HydrophobicContact CG2-CE3 3.91Å; I491-W593 HydrophobicContact CG2-CH2 3.89Å; I491-W593 HydrophobicContact CG2-CZ2 3.96Å; I491-W593 HydrophobicContact CG2-CZ3 3.86Å; T492-W593 WeakPolarHBondContact OG1-CZ2 3.28Å; T492-W593 PolarHBondContact OG1-NE1 2.93Å; L495-W593 HydrophobicContact CB-CH2 4.13Å; L495-W593 HydrophobicContact CD2-CH2 3.76Å; L495-W593 HydrophobicContact CD2-CZ2 3.95Å; I510-W593 HydrophobicContact CG2-CH2 3.59Å; I510-W593 HydrophobicContact CG2-CZ3 3.61Å; A564-W593 WeakPolarHBondContact CA-O 3.44Å; A565-W593 HydrophobicContact CB-CB 4.37Å; A565-W593 PolarHBondContact N-O 2.95Å; A565-W593 PolarHBondContact O-N 3.23Å; W593-W600 HydrophobicContact CB-CE3 3.74Å; W593-W600 HydrophobicContact CB-CZ3 3.97Å; W593-W600 HydrophobicContact CE3-CB 4.15Å; W593-L601 WeakPolarHBondContact CA-O 3.4Å; W593-N602 HydrophobicContact CD2-CB 4.47Å; W593-N602 HydrophobicContact CE3-CB 4.07Å; W593-N602 HydrophobicContact CH2-CB 3.96Å; W593-N602 HydrophobicContact CZ2-CB 4.35Å; W593-N602 HydrophobicContact CZ3-CB 3.8Å
594H96.9Very high92.5Very high58 Ų5849.2 Ų49.227%0.26926%0.258SS..EExtended strand (participates in β ladder)trans-125.3135.6172-166.9-72.8000109.7D563 L601 V603D563-H594 CarbonylContact O-C 3.58Å; D563-H594 WeakPolarHBondContact O-CA 3.48Å; H594-L601 PolarHBondContact N-O 3.37Å; H594-L601 PolarHBondContact O-N 3.31Å; H594-V603 HydrophobicContact CB-CG1 3.69Å; H594-V603 HydrophobicContact CB-CG2 4.02Å
595R94.9Very high93.2Very high75 Ų7546 Ų4628%0.28323%0.234SC..EExtended strand (participates in β ladder)trans-87.8121.4176.9-162.8171.362.8167.23109.1E562 D563 K599 W600E562-R595 PolarHBondContact O-NH2 3.11Å; D563-R595 HydrophobicContact CB-CB 4.14Å; D563-R595 PolarHBondContact O-N 3.34Å; D563-R595 IonicContact OD1-CZ 3.79Å; D563-R595 IonicContact OD1-NE 3.4Å; D563-R595 PolarHBondContact OD1-NE 3.24Å; D563-R595 IonicContact OD1-NH2 3.8Å; D563-R595 PolarHBondContact OD1-NH2 3.15Å; R595-K599 CarbonylContact C-O 3.59Å; R595-K599 VanDerWaalsContact CA-O 3.23Å; R595-K599 WeakPolarHBondContact CA-O 3.43Å; R595-W600 HydrophobicContact CB-CD2 4.12Å; R595-W600 HydrophobicContact CB-CE3 3.91Å; R595-W600 HydrophobicContact CB-CH2 4.3Å; R595-W600 HydrophobicContact CB-CZ2 4.45Å; R595-W600 HydrophobicContact CB-CZ3 4.01Å; R595-W600 HydrophobicContact CG-CD2 4.4Å
596R92.6Very high93.7Very high113 Ų11348 Ų4843%0.42624%0.242SC..EExtended strand (participates in β ladder)trans-127.7130.5174.7-62-174.1179.5168.4-2.8107.6D512 G598 K599 L601D512-R596 IonicContact OD1-CZ 3.69Å; D512-R596 IonicContact OD1-NH1 2.81Å; D512-R596 PolarHBondContact OD1-NH1 3.31Å; D512-R596 IonicContact OD2-CZ 3.79Å; D512-R596 IonicContact OD2-NH1 2.74Å; D512-R596 PolarHBondContact OD2-NH1 2.72Å; R596-G598 PolarHBondContact O-N 3.28Å; R596-G598 VanDerWaalsContact O-N 3.11Å; R596-K599 PolarHBondContact N-O 3.42Å; R596-K599 PolarHBondContact O-N 3.47Å; R596-L601 HydrophobicContact CB-CD1 4.15Å; R596-L601 HydrophobicContact CG-CD1 4.39Å
597D89.7Confident93.8Very high167 Ų16743.7 Ų43.789%0.89322%0.222SC*.THydrogen-bonded Turntrans48.141-177.9-52.8-40.7000114.3K599D597-K599 VanDerWaalsContact C-N 3.27Å; D597-K599 PolarHBondContact O-N 2.89Å
598G86.6Confident93.7Very high65 Ų6545.7 Ų45.767%0.6724%0.235SC*.THydrogen-bonded Turntrans76.51-178.900000115.8R596R596-G598 PolarHBondContact O-N 3.28Å; R596-G598 VanDerWaalsContact O-N 3.11Å
599K91.8Very high93Very high150 Ų15045 Ų4565%0.65225%0.249SC*.EExtended strand (participates in β ladder)trans-109.7138.9179.3-63176.7-176.81730111.5R595 R596 D597R595-K599 CarbonylContact C-O 3.59Å; R595-K599 VanDerWaalsContact CA-O 3.23Å; R595-K599 WeakPolarHBondContact CA-O 3.43Å; R596-K599 PolarHBondContact N-O 3.42Å; R596-K599 PolarHBondContact O-N 3.47Å; D597-K599 VanDerWaalsContact C-N 3.27Å; D597-K599 PolarHBondContact O-N 2.89Å
600W95.6Very high91.6Very high16 Ų1646.3 Ų46.36%0.06126%0.26CS..EExtended strand (participates in β ladder)trans-79.1125.5171.5-73.6108.6000110.9E487 I488 I491 D563 A565 W593 R595E487-W600 VanDerWaalsContact OE1-CD1 3.27Å; E487-W600 PolarHBondContact OE1-NE1 3.04Å; E487-W600 PolarHBondContact OE2-NE1 3.46Å; I488-W600 HydrophobicContact CD1-CD2 3.8Å; I488-W600 HydrophobicContact CD1-CE3 3.98Å; I488-W600 HydrophobicContact CD1-CG 4.44Å; I488-W600 HydrophobicContact CD1-CH2 3.79Å; I488-W600 HydrophobicContact CD1-CZ2 3.65Å; I488-W600 HydrophobicContact CD1-CZ3 3.97Å; I491-W600 HydrophobicContact CG1-CB 4.18Å; I491-W600 HydrophobicContact CG2-CB 4.34Å; D563-W600 WeakPolarHBondContact O-CZ3 3.01Å; A565-W600 HydrophobicContact CB-CH2 4.19Å; A565-W600 HydrophobicContact CB-CZ3 4.32Å; W593-W600 HydrophobicContact CB-CE3 3.74Å; W593-W600 HydrophobicContact CB-CZ3 3.97Å; W593-W600 HydrophobicContact CE3-CB 4.15Å; R595-W600 HydrophobicContact CB-CD2 4.12Å; R595-W600 HydrophobicContact CB-CE3 3.91Å; R595-W600 HydrophobicContact CB-CH2 4.3Å; R595-W600 HydrophobicContact CB-CZ2 4.45Å; R595-W600 HydrophobicContact CB-CZ3 4.01Å; R595-W600 HydrophobicContact CG-CD2 4.4Å
601L97.4Very high89.9Confident26 Ų2647.6 Ų47.614%0.13627%0.269CS..EExtended strand (participates in β ladder)trans-119136.5174.8-61.4175.3000110.2I510 D512 W593 H594 R596 V603I510-L601 CarbonylContact O-C 3.59Å; I510-L601 VanDerWaalsContact O-CA 3.26Å; I510-L601 WeakPolarHBondContact O-CA 3.27Å; D512-L601 HydrophobicContact CB-CB 4.35Å; D512-L601 WeakPolarHBondContact OD2-CD1 3.26Å; W593-L601 WeakPolarHBondContact CA-O 3.4Å; H594-L601 PolarHBondContact N-O 3.37Å; H594-L601 PolarHBondContact O-N 3.31Å; R596-L601 HydrophobicContact CB-CD1 4.15Å; R596-L601 HydrophobicContact CG-CD1 4.39Å; L601-V603 PolarHBondContact O-N 2.96Å
602N97.3Very high87.6Confident0 Ų048.1 Ų48.10%027%0.274CS..EExtended strand (participates in β ladder)trans-76116.3170-174.8-155.2000108.4L495 I510 D512 R591 V592 W593 H604L495-N602 HydrophobicContact CD2-CB 4.05Å; I510-N602 PolarHBondContact O-N 3.12Å; D512-N602 PolarHBondContact N-O 3.15Å; R591-N602 PolarHBondContact NH1-OD1 3.45Å; R591-N602 VanDerWaalsContact NH1-OD1 3.14Å; V592-N602 WeakPolarHBondContact O-CA 3.12Å; V592-N602 PolarHBondContact O-ND2 3.27Å; W593-N602 HydrophobicContact CD2-CB 4.47Å; W593-N602 HydrophobicContact CE3-CB 4.07Å; W593-N602 HydrophobicContact CH2-CB 3.96Å; W593-N602 HydrophobicContact CZ2-CB 4.35Å; W593-N602 HydrophobicContact CZ3-CB 3.8Å; N602-H604 PolarHBondContact ND2-O 2.71Å
603V96.9Very high85.4Confident28 Ų2847.5 Ų47.517%0.1727%0.271CS..EExtended strand (participates in β ladder)trans-106-20.8-176.1-67.30000113.5D512 L515 T516 V592 H594 L601D512-V603 HydrophobicContact CB-CG1 3.93Å; L515-V603 VanDerWaalsContact CD1-C 3.5Å; T516-V603 PolarHBondContact N-O 2.91Å; T516-V603 PolarHBondContact OG1-O 2.95Å; V592-V603 HydrophobicContact CB-CG2 4.11Å; V592-V603 HydrophobicContact CG1-CG2 3.88Å; V592-V603 WeakPolarHBondContact O-CG2 3.44Å; V592-V603 PolarHBondContact O-N 3.19Å; H594-V603 HydrophobicContact CB-CG1 3.69Å; H594-V603 HydrophobicContact CB-CG2 4.02Å; L601-V603 PolarHBondContact O-N 2.96Å
604H95.7Very high83Confident25 Ų2548.5 Ų48.512%0.11628%0.277CS..EExtended strand (participates in β ladder)trans-145.6141171.8-178.967.5000111.2T516 V592 N602T516-H604 CarbonylContact O-C 3.4Å; T516-H604 VanDerWaalsContact O-CA 3.3Å; T516-H604 WeakPolarHBondContact O-CA 3.38Å; T516-H604 PolarHBondContact O-ND1 2.82Å; T516-H604 VanDerWaalsContact O-ND1 3.17Å; T516-H604 PolarHBondContact OG1-ND1 3.27Å; V592-H604 HydrophobicContact CB-CB 3.96Å; V592-H604 HydrophobicContact CG2-CB 3.94Å; V592-H604 PolarHBondContact N-O 3.14Å; N602-H604 PolarHBondContact ND2-O 2.71Å
605F94.1Very high80.4Confident5 Ų551 Ų512%0.02229%0.292CS..EExtended strand (participates in β ladder)trans-128.5133.8176172-135.2000110L515 T516 S517 F518 E519 E589 R591 C607 A612L515-F605 HydrophobicContact CD1-CB 4.28Å; T516-F605 PolarHBondContact O-N 3.35Å; S517-F605 CarbonylContact C-O 3.59Å; S517-F605 VanDerWaalsContact CA-O 3.28Å; S517-F605 WeakPolarHBondContact CA-O 3.38Å; F518-F605 PolarHBondContact N-O 3.37Å; E519-F605 HydrophobicContact CB-CE1 4.49Å; E519-F605 WeakPolarHBondContact OE2-CE1 3.46Å; E589-F605 HydrophobicContact CB-CE2 4.11Å; E589-F605 HydrophobicContact CG-CE2 3.82Å; E589-F605 HydrophobicContact CG-CZ 4.26Å; R591-F605 HydrophobicContact CG-CD2 4.02Å; R591-F605 VanDerWaalsContact CZ-CD2 3.41Å; R591-F605 VanDerWaalsContact CZ-CE2 3.48Å; R591-F605 VanDerWaalsContact NH1-CD2 3.26Å; R591-F605 VanDerWaalsContact NH2-CZ 3.35Å; F605-C607 HydrophobicContact CE1-CB 4.15Å; F605-C607 HydrophobicContact CE2-CB 4.04Å; F605-C607 HydrophobicContact CZ-CB 3.58Å; F605-A612 HydrophobicContact CE1-CB 4.4Å; F605-A612 HydrophobicContact CZ-CB 4.29Å
606H91.3Very high78.1Confident64 Ų6453.6 Ų53.630%0.29631%0.307SS..EExtended strand (participates in β ladder)trans-128.9125169.9-174.6179.4000108.7F518 E589 T590 S608F518-H606 AromaticContact CD1-CD2 3.61Å; F518-H606 AromaticContact CD1-NE2 3.48Å; F518-H606 WeakPolarHBondContact CD1-NE2 3.49Å; F518-H606 CarbonylContact O-C 3.49Å; F518-H606 VanDerWaalsContact O-CA 3.27Å; F518-H606 WeakPolarHBondContact O-CA 3.33Å; F518-H606 PolarHBondContact O-CD2 2.92Å; E589-H606 CarbonylContact C-O 3.58Å; E589-H606 WeakPolarHBondContact CA-O 3.36Å; T590-H606 PolarHBondContact N-O 3.43Å; T590-H606 PolarHBondContact O-N 3.25Å; H606-S608 PolarHBondContact NE2-OG 2.96Å
607C88.1Confident77.3Confident2 Ų250.6 Ų50.61%0.01430%0.301CS..EExtended strand (participates in β ladder)trans-113.7135171.3-169.90000110.1F518 E519 S587 E588 F605F518-C607 PolarHBondContact O-N 2.96Å; E519-C607 HydrophobicContact CB-CB 3.81Å; S587-C607 VanDerWaalsContact CB-SG 3.54Å; E588-C607 CarbonylContact O-C 3.51Å; E588-C607 WeakPolarHBondContact O-CA 3.42Å; F605-C607 HydrophobicContact CE1-CB 4.15Å; F605-C607 HydrophobicContact CE2-CB 4.04Å; F605-C607 HydrophobicContact CZ-CB 3.58Å
608S84.3Confident76.7Confident44 Ų4444.5 Ų44.531%0.30827%0.27SS..EExtended strand (participates in β ladder)trans-129.1151.4171.9-81.20000110.7S587 E588 H606S587-S608 CarbonylContact C-O 3.55Å; S587-S608 WeakPolarHBondContact CA-O 3.49Å; E588-S608 PolarHBondContact N-O 3.19Å; E588-S608 PolarHBondContact O-N 3.01Å; H606-S608 PolarHBondContact NE2-OG 2.96Å
609G77.1Confident76.1Confident64 Ų6443.3 Ų43.366%0.6625%0.248SC*.EExtended strand (participates in β ladder)trans95.2-126.5-177.600000112.7
610A64.8Low75.2Confident27 Ų2737.1 Ų37.122%0.22322%0.224CC..SBendtrans-73.8156.3179.200000112.4Q586Q586-A610 VanDerWaalsContact O-CB 3.29Å; Q586-A610 WeakPolarHBondContact O-CB 3.33Å; Q586-A610 PolarHBondContact O-N 3.41Å; Q586-A610 VanDerWaalsContact O-N 3.17Å
611P58.9Low73.9Confident47 Ų4738.4 Ų38.431%0.30523%0.234SC..  trans-46.7139.7172.4-31.637.9000113.6E521 A613 L615E521-P611 HydrophobicContact CG-CB 4.22Å; E521-P611 WeakPolarHBondContact OE1-CA 3.4Å; E521-P611 WeakPolarHBondContact OE1-CB 3.5Å; P611-A613 WeakPolarHBondContact CB-O 3.45Å; P611-A613 PolarHBondContact O-N 3.14Å; P611-L615 HydrophobicContact CB-CD1 4.18Å; P611-L615 HydrophobicContact CG-CD1 3.95Å
612A50.7Low72.4Confident13 Ų1339.2 Ų39.211%0.10724%0.241CC..SBendtrans-65.9-23.6-177.200000113E521 R571 F605E521-A612 PolarHBondContact OE1-N 3.23Å; E521-A612 PolarHBondContact OE2-N 2.65Å; R571-A612 PolarHBondContact NH1-O 3.33Å; F605-A612 HydrophobicContact CE1-CB 4.4Å; F605-A612 HydrophobicContact CZ-CB 4.29Å
613A50.8Low70.6Confident9 Ų942 Ų427%0.07426%0.258CS..SBendtrans-116.8137.8164.800000110.5E521 Y536 L541 P611 L615E521-A613 PolarHBondContact OE1-N 2.63Å; Y536-A613 HydrophobicContact CD1-CB 4.41Å; L541-A613 HydrophobicContact CD2-CB 4.42Å; P611-A613 WeakPolarHBondContact CB-O 3.45Å; P611-A613 PolarHBondContact O-N 3.14Å; A613-L615 PolarHBondContact O-N 2.92Å
614P47.7Very low68.6Low20 Ų2043.1 Ų43.113%0.1327%0.265CS..  trans-68.3101.3176.727.9-33.2000110.7V548 F575 Q616V548-P614 HydrophobicContact CG1-CG 4.49Å; V548-P614 HydrophobicContact CG2-CG 4.33Å; F575-P614 HydrophobicContact CB-CG 4.45Å; F575-P614 HydrophobicContact CD1-CB 3.67Å; F575-P614 HydrophobicContact CD1-CG 4.24Å; F575-P614 HydrophobicContact CD2-CB 4.02Å; F575-P614 HydrophobicContact CE1-CB 3.68Å; F575-P614 HydrophobicContact CE2-CB 4.01Å; F575-P614 HydrophobicContact CG-CB 3.84Å; F575-P614 HydrophobicContact CG-CG 4.22Å; F575-P614 HydrophobicContact CZ-CB 3.84Å; P614-Q616 PolarHBondContact O-N 3.23Å
615L42.9Very low66.3Low111 Ų11144.6 Ų44.658%0.58128%0.277SS*.  trans-57.5122.6167.7-69.7163.3000109.1L540 P611 A613L540-L615 HydrophobicContact CD2-CD2 3.52Å; P611-L615 HydrophobicContact CB-CD1 4.18Å; P611-L615 HydrophobicContact CG-CD1 3.95Å; A613-L615 PolarHBondContact O-N 2.92Å
616Q45Very low63.8Low129 Ų12948.2 Ų48.260%0.60330%0.3SS*.  trans-113.10177.6-67-154.8-1.800111.9V576 P614V576-Q616 PolarHBondContact O-NE2 3.29Å; P614-Q616 PolarHBondContact O-N 3.23Å

Retrieved 616 of 616 residues in 537.5 ms (Link to these results)

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