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Polyribonucleotide 5'-hydroxyl-kinase Clp1

Polynucleotide kinase that can phosphorylate the 5'-hydroxyl groups of double-stranded RNA (dsRNA), single-stranded RNA (ssRNA), double stranded DNA (dsDNA) and double-stranded DNA:RNA hybrids. dsRNA is phosphorylated more efficiently than dsDNA, and the RNA component of a DNA:RNA hybrid is phosphorylated more efficiently than the DNA component. Appears to have roles in both tRNA splicing and mRNA 3'-end formation. Component of the tRNA splicing endonuclease complex. Phosphorylates the 5'-terminus of the tRNA 3'-exon during tRNA splicing; this phosphorylation event is a prerequisite for the subsequent ligation of the two exon halves and the production of a mature tRNA. Component of the pre-mRNA cleavage complex II (CF-II), which seems to be required for mRNA 3'-end formation. Also phosphorylates the 5'-terminus of exogenously introduced short interfering RNAs (siRNAs), which is a necessary prerequisite for their incorporation into the RNA-induced silencing complex (RISC). However, endogenous siRNAs and microRNAs (miRNAs) that are produced by the cleavage of dsRNA precursors by DICER1 already contain a 5'-phosphate group, so this protein may be dispensible for normal RNA-mediated gene silencing.

AlphaFold DB (A0A4W5N907), UniProt , Accession A0A060W4Z5, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene CLP1, Length 445 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
1M37.4Very low33.1Very low246 Ų246153.6 Ų153.6100%1.21289%0.885SS**  0131.90-80-177.7-174.100107.2
2A37.9Very low32.8Very low94 Ų94157.6 Ų157.678%0.77789%0.889SS**  trans-58.9144.3-170.100000113.7
3T32.3Very low32.6Very low143 Ų143153.2 Ų153.288%0.87788%0.884SS**  trans-152102.8140.340.80000108.6
4E33.3Very low32.7Very low199 Ų199149.4 Ų149.493%0.9388%0.881SS**  trans-62.3138.5160.6-67.4171.4146.500109.3
5G31.6Very low32.5Very low70 Ų70144.7 Ų144.772%0.72288%0.876SS**  trans-122.2128.4165.800000108.5
6P37.4Very low32.8Very low126 Ų126142.1 Ų142.182%0.81887%0.874SS**  trans-88135.3176.532-28.3000111.1
7E31.8Very low32.6Very low190 Ų190138.3 Ų138.389%0.88887%0.87SS**  trans-60.9134.4164.8-73.3173.6135.200110.4
8K32.1Very low32.8Very low211 Ų211136.9 Ų136.992%0.91787%0.874SS**  trans-93.6103168-82.2-175.9174.7-178.10109.1
9T32.3Very low32.6Very low137 Ų137133.5 Ų133.584%0.8487%0.867SS**  trans-89.2115.8156.441.70000108
10G27.6Very low32.8Very low83 Ų83132.7 Ų132.786%0.85687%0.872SS**  trans-99.8103.3173.900000109.4
11E30.6Very low32.9Very low191 Ų191129.2 Ų129.289%0.89386%0.86SS**  trans-119.6100.1167.9-152.8171.6-16100106.3A13E11-A13 PolarHBondContact O-N 2.68Å; E11-A13 VanDerWaalsContact O-N 3.13Å
12E28.8Very low33.3Very low201 Ų201122.3 Ų122.394%0.93985%0.851SS**  trans-78.291.1176.9-88.7-175.5150.700109.6A14E12-A14 PolarHBondContact O-N 3.1Å
13A30.5Very low34.5Very low100 Ų100120.9 Ų120.983%0.82685%0.846SS**  trans-79.297.6158.900000108.6E11 G15E11-A13 PolarHBondContact O-N 2.68Å; E11-A13 VanDerWaalsContact O-N 3.13Å; A13-G15 PolarHBondContact O-N 3.1Å; A13-G15 VanDerWaalsContact O-N 3.1Å
14A33.9Very low36.9Very low101 Ų101115.2 Ų115.284%0.83582%0.816SS**  trans-73.398.4172.400000110.1E12 A16E12-A14 PolarHBondContact O-N 3.1Å; A14-A16 PolarHBondContact O-N 3.01Å
15G29.6Very low39.8Very low78 Ų78110 Ų11080%0.80480%0.798SS**  trans-71.4114.3167.800000110.9A13A13-G15 PolarHBondContact O-N 3.1Å; A13-G15 VanDerWaalsContact O-N 3.1Å
16A37.5Very low42.9Very low103 Ų103113.8 Ų113.885%0.85179%0.791SS**  trans-83.7113.9172.100000110.2A14A14-A16 PolarHBondContact O-N 3.01Å
17G29.6Very low45.8Very low78 Ų78109.5 Ų109.580%0.80476%0.759SS**  trans-69.9135.8172.800000112.2G19G17-G19 PolarHBondContact O-N 3.42Å
18A35.9Very low49Very low113 Ų113105 Ų10593%0.93474%0.741SS**  trans-73.6110.7176.900000111.2
19G28.7Very low52.1Low72 Ų7295.3 Ų95.374%0.74270%0.699SS**  trans-104.4120.8163.100000110G17 G21G17-G19 PolarHBondContact O-N 3.42Å; G19-G21 PolarHBondContact O-N 3.18Å
20A37.5Very low55.3Low118 Ų11894.5 Ų94.598%0.97569%0.686SS**  trans-69.4109.6175.100000110.9
21G34.5Very low58.6Low60 Ų6097.4 Ų97.462%0.61968%0.675SS**SBendtrans-167.1136.216800000107.4G19 G23G19-G21 PolarHBondContact O-N 3.18Å; G21-G23 PolarHBondContact O-N 3.34Å
22G45.5Very low61.8Low100 Ų10092.1 Ų92.1100%1.03165%0.651SS**SBendtrans-67.238.8-17200000116.6
23G62.5Low65.1Low65 Ų6582.7 Ų82.767%0.6761%0.607SS**  trans-108.9128.317500000111.1G21G21-G23 PolarHBondContact O-N 3.34Å
24G82.9Confident68.3Low24 Ų2478.3 Ų78.325%0.24757%0.569CS.*PPolyproline II helixtrans-64.7161.8174.700000113.8R26 L87 S88G24-R26 PolarHBondContact O-N 3.05Å; G24-L87 CarbonylContact C-O 3.51Å; G24-L87 WeakPolarHBondContact CA-O 3.12Å; G24-S88 VanDerWaalsContact CA-OG 3.27Å; G24-S88 WeakPolarHBondContact CA-OG 3.49Å
25T95.6Very high71.4Confident90 Ų9073.5 Ų73.555%0.55253%0.529SS*.EExtended strand (participates in β ladder)trans-68121.1172.6-530000109.6F27 S86 L87T25-F27 HydrophobicContact CG2-CD2 4.33Å; T25-F27 HydrophobicContact CG2-CE2 3.57Å; T25-F27 HydrophobicContact CG2-CZ 3.74Å; T25-F27 WeakPolarHBondContact O-CD2 3.45Å; T25-S86 WeakPolarHBondContact O-CA 3.48Å; T25-L87 PolarHBondContact N-O 2.89Å; T25-L87 PolarHBondContact O-N 3.44Å
26R97Very high74.6Confident148 Ų14870.7 Ų70.756%0.55850%0.495SS*.EExtended strand (participates in β ladder)trans-83.9136.1177.3178.5176.9170.6165.6-1110.9G24 D28 L50 S84 V85G24-R26 PolarHBondContact O-N 3.05Å; R26-D28 IonicContact CZ-OD1 3.94Å; R26-D28 IonicContact CZ-OD2 2.97Å; R26-D28 IonicContact NE-OD1 3.39Å; R26-D28 PolarHBondContact NE-OD1 3.38Å; R26-D28 IonicContact NE-OD2 3.9Å; R26-D28 PolarHBondContact NE-OD2 3.15Å; R26-D28 IonicContact NH2-OD1 3.01Å; R26-D28 PolarHBondContact NH2-OD1 2.92Å; R26-D28 IonicContact NH2-OD2 3.47Å; R26-L50 HydrophobicContact CG-CD1 4.36Å; R26-S84 PolarHBondContact NH2-OG 3.05Å; R26-V85 CarbonylContact C-O 3.29Å; R26-V85 WeakPolarHBondContact CA-O 2.85Å
27F97.9Very high77.4Confident36 Ų3666 Ų6616%0.15846%0.455CS..EExtended strand (participates in β ladder)trans-122.7125.1171.4-63.8-94.2000109.3T25 L29 L35 S84 V85 L87 A94 V96T25-F27 HydrophobicContact CG2-CD2 4.33Å; T25-F27 HydrophobicContact CG2-CE2 3.57Å; T25-F27 HydrophobicContact CG2-CZ 3.74Å; T25-F27 WeakPolarHBondContact O-CD2 3.45Å; F27-L29 HydrophobicContact CB-CD1 3.82Å; F27-L35 HydrophobicContact CB-CD1 4.48Å; F27-L35 HydrophobicContact CB-CD2 4.01Å; F27-L35 HydrophobicContact CD1-CD1 3.64Å; F27-L35 HydrophobicContact CD1-CD2 4.46Å; F27-L35 HydrophobicContact CD2-CD1 4.31Å; F27-L35 HydrophobicContact CD2-CD2 3.83Å; F27-L35 HydrophobicContact CE1-CD1 3.85Å; F27-L35 HydrophobicContact CE2-CD2 4.45Å; F27-L35 HydrophobicContact CG-CD1 3.89Å; F27-L35 HydrophobicContact CG-CD2 3.84Å; F27-L35 HydrophobicContact CZ-CD1 4.28Å; F27-S84 WeakPolarHBondContact O-CA 3.42Å; F27-V85 HydrophobicContact CB-CG2 3.94Å; F27-V85 PolarHBondContact N-O 3.19Å; F27-V85 PolarHBondContact O-N 3.03Å; F27-L87 HydrophobicContact CD2-CB 4.48Å; F27-L87 HydrophobicContact CD2-CD1 4.19Å; F27-L87 HydrophobicContact CD2-CG 4.29Å; F27-L87 HydrophobicContact CE2-CB 4.07Å; F27-L87 HydrophobicContact CE2-CD1 3.74Å; F27-L87 HydrophobicContact CE2-CG 4.13Å; F27-L87 HydrophobicContact CZ-CD1 4.42Å; F27-A94 HydrophobicContact CZ-CB 4Å; F27-V96 HydrophobicContact CD1-CG2 4.21Å
28D98.2Very high80.5Confident95 Ų9564 Ų6451%0.50842%0.424SS..EExtended strand (participates in β ladder)trans-99.8119.6171-64.2-57000108.3R26 S84R26-D28 IonicContact CZ-OD1 3.94Å; R26-D28 IonicContact CZ-OD2 2.97Å; R26-D28 IonicContact NE-OD1 3.39Å; R26-D28 PolarHBondContact NE-OD1 3.38Å; R26-D28 IonicContact NE-OD2 3.9Å; R26-D28 PolarHBondContact NE-OD2 3.15Å; R26-D28 IonicContact NH2-OD1 3.01Å; R26-D28 PolarHBondContact NH2-OD1 2.92Å; R26-D28 IonicContact NH2-OD2 3.47Å; D28-S84 WeakPolarHBondContact OD1-CB 3.35Å; D28-S84 PolarHBondContact OD1-OG 3.34Å
29L98.3Very high83.2Confident8 Ų858.6 Ų58.64%0.04238%0.38CS..EExtended strand (participates in β ladder)trans-105.1127.4-177.4-75.967.6000108.9F27 L35 V77 T79 G82 C83 V85 V96F27-L29 HydrophobicContact CB-CD1 3.82Å; L29-L35 HydrophobicContact CD1-CB 4.18Å; L29-L35 HydrophobicContact CD2-CB 3.93Å; L29-L35 HydrophobicContact CG-CB 4.41Å; L29-V77 WeakPolarHBondContact CD2-O 3.35Å; L29-T79 HydrophobicContact CB-CG2 3.67Å; L29-T79 HydrophobicContact CD2-CG2 4.2Å; L29-G82 WeakPolarHBondContact O-CA 3.23Å; L29-C83 PolarHBondContact N-O 3.41Å; L29-C83 PolarHBondContact O-N 2.91Å; L29-V85 HydrophobicContact CD1-CG2 4.01Å; L29-V96 HydrophobicContact CD1-CG2 4.44Å; L29-V96 HydrophobicContact CG-CG2 4.45Å
30E98.2Very high86.1Confident121 Ų12158.9 Ų58.957%0.56536%0.362SS*.  trans-70165.3168.6-66.4-179.6166.300110.5E32 T33 T79 K98E30-E32 PolarHBondContact O-N 3.34Å; E30-T33 HydrophobicContact CB-CG2 4.04Å; E30-T33 PolarHBondContact N-OG1 3.47Å; E30-T33 PolarHBondContact O-N 2.99Å; E30-T33 PolarHBondContact O-OG1 3.26Å; E30-T79 VanDerWaalsContact O-CG2 3.27Å; E30-T79 WeakPolarHBondContact O-CG2 3.43Å; E30-K98 IonicContact OE1-NZ 2.98Å; E30-K98 IonicContact OE2-NZ 2.86Å; E30-K98 PolarHBondContact OE2-NZ 3.47Å
31K97.8Very high88.4Confident143 Ų14357.2 Ų57.262%0.62235%0.349SS*.THydrogen-bonded Turntrans-52.4142171.666174.8-172.7168.20111.2T33K31-T33 PolarHBondContact O-N 3.24Å
32E97.3Very high90.8Very high81 Ų8157.8 Ų57.838%0.37935%0.354SS..THydrogen-bonded Turntrans60.530.8175.5-56.4174.6175.400113.9E30 F78 T79 W80E30-E32 PolarHBondContact O-N 3.34Å; E32-F78 HydrophobicContact CB-CZ 4.39Å; E32-T79 VanDerWaalsContact CA-O 3.31Å; E32-T79 WeakPolarHBondContact CA-O 3.29Å; E32-T79 PolarHBondContact N-O 2.77Å; E32-W80 HydrophobicContact CG-CE3 4.35Å
33T97.9Very high93Very high3 Ų356 Ų562%0.01832%0.319CS..EExtended strand (participates in β ladder)trans-118.8160.117468.80000111.2E30 K31 F78 T79 S97 K98E30-T33 HydrophobicContact CB-CG2 4.04Å; E30-T33 PolarHBondContact N-OG1 3.47Å; E30-T33 PolarHBondContact O-N 2.99Å; E30-T33 PolarHBondContact O-OG1 3.26Å; K31-T33 PolarHBondContact O-N 3.24Å; T33-F78 WeakPolarHBondContact O-CD2 3.42Å; T33-T79 PolarHBondContact O-N 3.07Å; T33-S97 WeakPolarHBondContact CA-O 3.36Å; T33-S97 WeakPolarHBondContact CB-O 3.3Å; T33-K98 HydrophobicContact CG2-CB 4.26Å; T33-K98 HydrophobicContact CG2-CD 4.32Å; T33-K98 HydrophobicContact CG2-CG 3.78Å
34E98Very high94.4Very high8 Ų858.7 Ų58.74%0.03731%0.312CS..EExtended strand (participates in β ladder)trans-129.1142.917261-170.5-163.300113.2R36 V77 F78 V96 S97 T100E34-R36 HydrophobicContact CG-CG 4.13Å; E34-R36 IonicContact OE1-CZ 3.62Å; E34-R36 IonicContact OE1-NE 2.73Å; E34-R36 PolarHBondContact OE1-NE 2.96Å; E34-R36 IonicContact OE1-NH2 2.65Å; E34-R36 PolarHBondContact OE1-NH2 3.26Å; E34-V77 CarbonylContact C-O 3.54Å; E34-V77 WeakPolarHBondContact CA-O 3.44Å; E34-V77 WeakPolarHBondContact CB-O 3.45Å; E34-F78 HydrophobicContact CB-CB 4.06Å; E34-F78 HydrophobicContact CB-CD2 3.97Å; E34-V96 CarbonylContact O-C 3.6Å; E34-V96 WeakPolarHBondContact O-CA 3.27Å; E34-S97 PolarHBondContact N-O 3.31Å; E34-S97 PolarHBondContact O-N 3.49Å; E34-T100 HydrophobicContact CB-CG2 4.47Å; E34-T100 HydrophobicContact CG-CG2 3.6Å
35L98.1Very high95Very high0 Ų057.6 Ų57.60%030%0.3CS..EExtended strand (participates in β ladder)trans-85.9117.3164.8173.463000108.5F27 L29 F37 A76 V77 V85 L87 V96F27-L35 HydrophobicContact CB-CD1 4.48Å; F27-L35 HydrophobicContact CB-CD2 4.01Å; F27-L35 HydrophobicContact CD1-CD1 3.64Å; F27-L35 HydrophobicContact CD1-CD2 4.46Å; F27-L35 HydrophobicContact CD2-CD1 4.31Å; F27-L35 HydrophobicContact CD2-CD2 3.83Å; F27-L35 HydrophobicContact CE1-CD1 3.85Å; F27-L35 HydrophobicContact CE2-CD2 4.45Å; F27-L35 HydrophobicContact CG-CD1 3.89Å; F27-L35 HydrophobicContact CG-CD2 3.84Å; F27-L35 HydrophobicContact CZ-CD1 4.28Å; L29-L35 HydrophobicContact CD1-CB 4.18Å; L29-L35 HydrophobicContact CD2-CB 3.93Å; L29-L35 HydrophobicContact CG-CB 4.41Å; L35-F37 HydrophobicContact CG-CD1 4.35Å; L35-A76 CarbonylContact O-C 3.58Å; L35-A76 WeakPolarHBondContact O-CA 3.34Å; L35-V77 HydrophobicContact CB-CB 4.34Å; L35-V77 PolarHBondContact N-O 3.33Å; L35-V77 PolarHBondContact O-N 2.89Å; L35-V85 HydrophobicContact CD2-CG2 3.5Å; L35-L87 HydrophobicContact CD2-CD1 3.71Å; L35-L87 HydrophobicContact CD2-CG 4.09Å; L35-L87 HydrophobicContact CG-CD1 4.39Å; L35-V96 HydrophobicContact CD1-CG2 4.2Å
36R97.6Very high95.1Very high19 Ų1956.9 Ų56.97%0.07229%0.291CS..EExtended strand (participates in β ladder)trans-99.5130.2172.8-63.8177.2-178.915710.7108.7E34 I75 A76 A94 Y95 S97 D99 S294 G295 G296E34-R36 HydrophobicContact CG-CG 4.13Å; E34-R36 IonicContact OE1-CZ 3.62Å; E34-R36 IonicContact OE1-NE 2.73Å; E34-R36 PolarHBondContact OE1-NE 2.96Å; E34-R36 IonicContact OE1-NH2 2.65Å; E34-R36 PolarHBondContact OE1-NH2 3.26Å; R36-I75 WeakPolarHBondContact CA-O 3.46Å; R36-A76 HydrophobicContact CG-CB 4.43Å; R36-A94 CarbonylContact O-C 3.58Å; R36-A94 VanDerWaalsContact O-CA 3.31Å; R36-A94 WeakPolarHBondContact O-CA 3.48Å; R36-Y95 HydrophobicContact CB-CD1 4.37Å; R36-Y95 HydrophobicContact CB-CE1 3.96Å; R36-Y95 HydrophobicContact CB-CE2 4.3Å; R36-Y95 VanDerWaalsContact CD-OH 3.27Å; R36-Y95 WeakPolarHBondContact CD-OH 3.3Å; R36-Y95 PolarHBondContact N-O 3.44Å; R36-Y95 PolarHBondContact O-N 3.49Å; R36-S97 PolarHBondContact NH1-OG 2.99Å; R36-S97 PolarHBondContact NH2-OG 2.87Å; R36-D99 PolarHBondContact NH2-O 2.76Å; R36-S294 PolarHBondContact NH2-OG 3.41Å; R36-G295 VanDerWaalsContact NH1-C 3.31Å; R36-G296 VanDerWaalsContact CZ-N 3.26Å
37F96.3Very high95.1Very high3 Ų349.9 Ų49.91%0.01327%0.265CS..EExtended strand (participates in β ladder)trans-144.5151.6172.668.8-88.2000112.7L35 V39 V45 F69 I75 V77 L87 T91 V93 A94L35-F37 HydrophobicContact CG-CD1 4.35Å; F37-V39 HydrophobicContact CD2-CG2 4.3Å; F37-V39 HydrophobicContact CE2-CG2 4.08Å; F37-V45 HydrophobicContact CD2-CG1 4.31Å; F37-V45 HydrophobicContact CE2-CB 4.45Å; F37-V45 HydrophobicContact CE2-CG1 3.94Å; F37-F69 HydrophobicContact CE2-CD2 4.02Å; F37-F69 HydrophobicContact CE2-CG 4.39Å; F37-F69 AromaticContact CZ-CD2 3.67Å; F37-F69 HydrophobicContact CZ-CD2 3.67Å; F37-F69 AromaticContact CZ-CE2 3.79Å; F37-F69 HydrophobicContact CZ-CE2 3.79Å; F37-F69 HydrophobicContact CZ-CG 4.3Å; F37-I75 HydrophobicContact CD1-CB 4.14Å; F37-I75 HydrophobicContact CD1-CG2 4.47Å; F37-I75 HydrophobicContact CD2-CB 4.44Å; F37-I75 HydrophobicContact CE1-CB 3.59Å; F37-I75 HydrophobicContact CE1-CG1 4.39Å; F37-I75 HydrophobicContact CE1-CG2 3.6Å; F37-I75 HydrophobicContact CE2-CB 3.92Å; F37-I75 HydrophobicContact CE2-CG1 3.91Å; F37-I75 HydrophobicContact CZ-CB 3.47Å; F37-I75 VanDerWaalsContact CZ-CB 3.47Å; F37-I75 HydrophobicContact CZ-CG1 3.75Å; F37-I75 HydrophobicContact CZ-CG2 3.67Å; F37-I75 PolarHBondContact N-O 3.34Å; F37-I75 PolarHBondContact O-N 2.87Å; F37-V77 HydrophobicContact CE1-CG2 3.96Å; F37-L87 HydrophobicContact CB-CD1 4.13Å; F37-L87 HydrophobicContact CD1-CD1 3.92Å; F37-L87 HydrophobicContact CD1-CD2 4.2Å; F37-L87 HydrophobicContact CE1-CD1 4.46Å; F37-L87 HydrophobicContact CE1-CD2 3.92Å; F37-L87 HydrophobicContact CE2-CD2 4.35Å; F37-L87 HydrophobicContact CG-CD1 3.96Å; F37-L87 HydrophobicContact CZ-CD2 4Å; F37-T91 HydrophobicContact CB-CG2 4.28Å; F37-T91 HydrophobicContact CD2-CG2 4.25Å; F37-V93 CarbonylContact C-O 3.47Å; F37-V93 WeakPolarHBondContact CA-O 3.43Å; F37-V93 WeakPolarHBondContact CB-O 3.28Å; F37-A94 HydrophobicContact CB-CB 3.92Å
38E94.8Very high95.1Very high36 Ų3650.1 Ų50.117%0.16827%0.266CS..EExtended strand (participates in β ladder)trans-119.2133173.3-57.6-164-147.500110.2S73 K74 T91 E92 V93 V298E38-S73 WeakPolarHBondContact CA-O 3.42Å; E38-K74 HydrophobicContact CG-CG 3.98Å; E38-K74 WeakPolarHBondContact OE2-CE 3.49Å; E38-K74 IonicContact OE2-NZ 2.74Å; E38-K74 PolarHBondContact OE2-NZ 2.84Å; E38-T91 CarbonylContact O-C 3.54Å; E38-T91 WeakPolarHBondContact O-CA 3.45Å; E38-T91 WeakPolarHBondContact O-CB 3.45Å; E38-E92 HydrophobicContact CB-CB 4.41Å; E38-E92 PolarHBondContact O-N 3.43Å; E38-V93 HydrophobicContact CB-CG1 3.98Å; E38-V93 HydrophobicContact CG-CG1 3.73Å; E38-V93 PolarHBondContact N-O 3.38Å; E38-V298 WeakPolarHBondContact OE1-CG2 3.48Å
39V92.8Very high95.1Very high1 Ų145.6 Ų45.61%0.00624%0.242CC..EExtended strand (participates in β ladder)trans-82126.1179-175.50000109.3F37 E43 V45 F69 P70 G72 S73F37-V39 HydrophobicContact CD2-CG2 4.3Å; F37-V39 HydrophobicContact CE2-CG2 4.08Å; V39-E43 VanDerWaalsContact CG1-O 3.27Å; V39-E43 WeakPolarHBondContact CG1-O 3.41Å; V39-V45 HydrophobicContact CB-CG2 4.35Å; V39-V45 HydrophobicContact CG1-CB 4.36Å; V39-V45 HydrophobicContact CG1-CG2 3.91Å; V39-V45 HydrophobicContact CG2-CB 3.88Å; V39-V45 HydrophobicContact CG2-CG2 3.97Å; V39-F69 HydrophobicContact CG2-CB 3.91Å; V39-P70 WeakPolarHBondContact CB-O 3.37Å; V39-P70 WeakPolarHBondContact CG1-O 3.44Å; V39-G72 PolarHBondContact O-N 3.18Å; V39-S73 PolarHBondContact N-O 2.97Å
40E90.1Very high95.1Very high77 Ų7747.4 Ų47.436%0.3625%0.251SS..PPolyproline II helixtrans-56.9147.3178.3-171.9-178.9165.500111.1G42 E43 K90E40-G42 PolarHBondContact O-N 3.31Å; E40-E43 HydrophobicContact CB-CB 4.15Å; E40-E43 HydrophobicContact CB-CG 4.2Å; E40-E43 HydrophobicContact CG-CG 4.42Å; E40-E43 PolarHBondContact O-N 2.99Å; E40-E43 VanDerWaalsContact O-N 3.12Å; E40-K90 HydrophobicContact CB-CB 4.32Å; E40-K90 PolarHBondContact N-O 2.85Å; E40-K90 WeakPolarHBondContact OE2-CB 3.37Å; E40-K90 VanDerWaalsContact OE2-CD 3.31Å; E40-K90 WeakPolarHBondContact OE2-CD 3.35Å
41A85.8Confident95Very high84 Ų8444.3 Ų44.369%0.69424%0.241SC*.THydrogen-bonded Turntrans-58135.3177.300000111.2E43A41-E43 PolarHBondContact O-N 3.34Å
42G85.1Confident95Very high71 Ų7139.6 Ų39.673%0.73223%0.233SC*.THydrogen-bonded Turntrans76-11.1-176.200000116E40E40-G42 PolarHBondContact O-N 3.31Å
43E90.7Very high95.1Very high64 Ų6440.3 Ų40.330%0.29924%0.239SC..  trans-102.8165.9-174.6-65.3-74.6-17800112.7V39 E40 A41 P71 K90V39-E43 VanDerWaalsContact CG1-O 3.27Å; V39-E43 WeakPolarHBondContact CG1-O 3.41Å; E40-E43 HydrophobicContact CB-CB 4.15Å; E40-E43 HydrophobicContact CB-CG 4.2Å; E40-E43 HydrophobicContact CG-CG 4.42Å; E40-E43 PolarHBondContact O-N 2.99Å; E40-E43 VanDerWaalsContact O-N 3.12Å; A41-E43 PolarHBondContact O-N 3.34Å; E43-P71 VanDerWaalsContact O-CA 3.32Å; E43-P71 WeakPolarHBondContact O-CA 3.44Å; E43-P71 WeakPolarHBondContact O-CD 3.41Å; E43-P71 WeakPolarHBondContact O-CG 3.35Å; E43-P71 VanDerWaalsContact O-N 3.16Å; E43-K90 HydrophobicContact CB-CB 4.35Å; E43-K90 HydrophobicContact CG-CB 4.12Å; E43-K90 HydrophobicContact CG-CD 4.1Å; E43-K90 HydrophobicContact CG-CG 4.47Å; E43-K90 WeakPolarHBondContact OE1-CE 3.39Å; E43-K90 IonicContact OE1-NZ 2.93Å; E43-K90 PolarHBondContact OE1-NZ 3.28Å
44K92.3Very high95.1Very high121 Ų12140.5 Ų40.553%0.52624%0.241SC..  trans-123.4144.2172.2-62.7179.3-169.5179.50109.4T68 R321K44-T68 HydrophobicContact CB-CG2 4.24Å; K44-T68 HydrophobicContact CD-CG2 4.28Å; K44-R321 VanDerWaalsContact CE-NH2 3.32Å
45V95.6Very high95.1Very high0 Ų040.3 Ų40.30%024%0.24CC..EExtended strand (participates in β ladder)trans-119.2134.5176169.80000109.6F37 V39 T68 F69 L87 S88 K90 T91F37-V45 HydrophobicContact CD2-CG1 4.31Å; F37-V45 HydrophobicContact CE2-CB 4.45Å; F37-V45 HydrophobicContact CE2-CG1 3.94Å; V39-V45 HydrophobicContact CB-CG2 4.35Å; V39-V45 HydrophobicContact CG1-CB 4.36Å; V39-V45 HydrophobicContact CG1-CG2 3.91Å; V39-V45 HydrophobicContact CG2-CB 3.88Å; V39-V45 HydrophobicContact CG2-CG2 3.97Å; V45-T68 CarbonylContact O-C 3.55Å; V45-T68 WeakPolarHBondContact O-CA 3.45Å; V45-F69 PolarHBondContact N-O 3.07Å; V45-F69 PolarHBondContact O-N 3.46Å; V45-L87 HydrophobicContact CG1-CD2 3.77Å; V45-S88 CarbonylContact C-O 3.43Å; V45-S88 WeakPolarHBondContact CA-O 3.2Å; V45-K90 WeakPolarHBondContact CG2-O 3.27Å; V45-T91 HydrophobicContact CG1-CG2 4.27Å; V45-T91 HydrophobicContact CG2-CG2 3.73Å
46Q96.7Very high95.1Very high75 Ų7540.4 Ų40.435%0.3524%0.24SC..EExtended strand (participates in β ladder)trans-103.7128.7172.5-67.3-171.8-19.600110.4Y67 T68 L87 S88Q46-Y67 CarbonylContact C-O 3.58Å; Q46-Y67 VanDerWaalsContact CA-O 3.25Å; Q46-Y67 WeakPolarHBondContact CA-O 3.43Å; Q46-T68 HydrophobicContact CG-CG2 4.28Å; Q46-L87 CarbonylContact O-C 3.43Å; Q46-L87 WeakPolarHBondContact O-CA 3.44Å; Q46-S88 PolarHBondContact N-O 3.33Å; Q46-S88 PolarHBondContact O-N 2.92Å
47L97.5Very high95Very high1 Ų141.6 Ų41.61%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-107.4136.9172.8176.874.8000109.6L61 K66 Y67 F69 V77 V85 S86 L87L47-L61 HydrophobicContact CD2-CD1 3.82Å; L47-K66 CarbonylContact O-C 3.56Å; L47-K66 WeakPolarHBondContact O-CA 3.34Å; L47-Y67 PolarHBondContact N-O 2.99Å; L47-Y67 PolarHBondContact O-N 2.95Å; L47-F69 HydrophobicContact CB-CD2 4.36Å; L47-F69 HydrophobicContact CB-CE2 3.71Å; L47-F69 HydrophobicContact CD2-CE2 3.95Å; L47-F69 HydrophobicContact CD2-CZ 4.33Å; L47-V77 HydrophobicContact CD1-CG2 4.13Å; L47-V77 HydrophobicContact CD2-CG2 3.48Å; L47-V77 VanDerWaalsContact CD2-CG2 3.48Å; L47-V77 HydrophobicContact CG-CG2 4.48Å; L47-V85 HydrophobicContact CD1-CB 3.86Å; L47-V85 HydrophobicContact CD1-CG1 4.37Å; L47-V85 HydrophobicContact CD1-CG2 4.08Å; L47-S86 CarbonylContact C-O 3.6Å; L47-S86 WeakPolarHBondContact CA-O 3.45Å; L47-L87 HydrophobicContact CB-CD2 3.9Å; L47-L87 HydrophobicContact CD1-CD2 3.45Å; L47-L87 VanDerWaalsContact CD1-CD2 3.45Å; L47-L87 HydrophobicContact CD1-CG 4.14Å; L47-L87 HydrophobicContact CG-CD2 4.27Å
48E98Very high95Very high41 Ų4141.4 Ų41.419%0.19225%0.245CC..EExtended strand (participates in β ladder)trans-133.5129.4173.1-173.3176.4169.600110.5L50 N64 K66 V85 S86E48-L50 HydrophobicContact CG-CD2 4.2Å; E48-N64 WeakPolarHBondContact OE1-CA 3.42Å; E48-K66 HydrophobicContact CB-CG 4.35Å; E48-K66 HydrophobicContact CG-CG 4.36Å; E48-K66 WeakPolarHBondContact OE2-CE 3.41Å; E48-V85 CarbonylContact O-C 3.57Å; E48-V85 VanDerWaalsContact O-CA 3.27Å; E48-V85 WeakPolarHBondContact O-CA 3.27Å; E48-S86 PolarHBondContact N-O 2.84Å; E48-S86 PolarHBondContact O-N 2.85Å
49L98.2Very high95.1Very high1 Ų139.9 Ų39.91%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-81.1116.8171.117867.7000109.7T51 A54 L61 R63 N64 C83 V85L49-T51 VanDerWaalsContact CD1-O 3.29Å; L49-T51 WeakPolarHBondContact CD1-O 3.34Å; L49-A54 HydrophobicContact CD1-CB 3.93Å; L49-L61 HydrophobicContact CB-CB 4.16Å; L49-L61 HydrophobicContact CD2-CB 3.97Å; L49-L61 VanDerWaalsContact CD2-O 3.24Å; L49-L61 WeakPolarHBondContact CD2-O 3.38Å; L49-R63 WeakPolarHBondContact O-CA 3.37Å; L49-N64 PolarHBondContact O-N 2.92Å; L49-C83 HydrophobicContact CD1-CB 3.84Å; L49-V85 HydrophobicContact CD1-CG1 3.86Å
50L97.7Very high95.3Very high45 Ų4545 Ų4524%0.23626%0.262CS..EExtended strand (participates in β ladder)trans-89.2-45.3-177.6-53.6178.9000112R26 E48 R63 S84R26-L50 HydrophobicContact CG-CD1 4.36Å; E48-L50 HydrophobicContact CG-CD2 4.2Å; L50-R63 PolarHBondContact O-NE 2.9Å; L50-R63 PolarHBondContact O-NH2 3.49Å; L50-S84 WeakPolarHBondContact CB-O 3.5Å; L50-S84 PolarHBondContact N-O 2.89Å
51T97.8Very high95.7Very high56 Ų5641.8 Ų41.834%0.34425%0.248SC..EExtended strand (participates in β ladder)trans-150.2159.8-177.160.90000111.1L49 C83 S84L49-T51 VanDerWaalsContact CD1-O 3.29Å; L49-T51 WeakPolarHBondContact CD1-O 3.34Å; T51-C83 VanDerWaalsContact O-CA 3.32Å; T51-C83 WeakPolarHBondContact O-CA 3.21Å; T51-C83 VanDerWaalsContact O-CB 3.27Å; T51-C83 WeakPolarHBondContact O-CB 3.5Å; T51-S84 PolarHBondContact N-O 3.34Å; T51-S84 PolarHBondContact O-N 2.91Å; T51-S84 WeakPolarHBondContact OG1-CB 3.39Å; T51-S84 PolarHBondContact OG1-N 3.36Å; T51-S84 PolarHBondContact OG1-OG 3.39Å; T51-S84 VanDerWaalsContact OG1-OG 3.07Å
52G97.7Very high96.2Very high44 Ų4442.5 Ų42.545%0.45424%0.24SC..EExtended strand (participates in β ladder)trans77.3-157.8178.600000113.2
53L97.9Very high96.8Very high97 Ų9746.7 Ų46.751%0.50823%0.234SC..  trans-125.7136.9179-62.2178.2000109.4T79L53-T79 VanDerWaalsContact O-CB 3.24Å; L53-T79 WeakPolarHBondContact O-CB 3.35Å; L53-T79 PolarHBondContact O-OG1 2.92Å
54A98.4Very high96.9Very high7 Ų748.6 Ų48.66%0.05825%0.246CC..  trans-147.2158.2177.600000110.5L49 L61 V77 F78 C83L49-A54 HydrophobicContact CD1-CB 3.93Å; A54-L61 HydrophobicContact CB-CD1 3.96Å; A54-L61 HydrophobicContact CB-CG 4.42Å; A54-L61 PolarHBondContact O-N 3.46Å; A54-V77 HydrophobicContact CB-CG1 3.88Å; A54-F78 CarbonylContact C-O 3.56Å; A54-F78 VanDerWaalsContact CA-O 3.29Å; A54-F78 WeakPolarHBondContact CA-O 3.07Å; A54-C83 HydrophobicContact CB-CB 4.24Å
55E98.3Very high97.1Very high4 Ų446.5 Ų46.52%0.01924%0.237CC..EExtended strand (participates in β ladder)trans-139.5149.5178.158.5-178.8-137.300111.9S59 F78 W80 Y149 R152E55-S59 CarbonylContact C-O 3.55Å; E55-S59 WeakPolarHBondContact CA-O 3.38Å; E55-S59 WeakPolarHBondContact CB-O 3.34Å; E55-F78 HydrophobicContact CG-CD1 4.46Å; E55-F78 PolarHBondContact N-O 2.84Å; E55-F78 PolarHBondContact O-N 2.77Å; E55-W80 PolarHBondContact OE1-NE1 2.97Å; E55-Y149 WeakPolarHBondContact OE1-CE1 3.33Å; E55-Y149 PolarHBondContact OE1-OH 3.32Å; E55-R152 IonicContact OE2-CZ 3.94Å; E55-R152 IonicContact OE2-NH1 3.58Å; E55-R152 PolarHBondContact OE2-NH1 3.4Å; E55-R152 IonicContact OE2-NH2 2.85Å
56V97.9Very high97.1Very high1 Ų152 Ų521%0.00626%0.261CS..EExtended strand (participates in β ladder)trans-112.3109.6169.8174.90000107.5G58 S59 L61 I75 V77 V186V56-G58 PolarHBondContact O-N 2.57Å; V56-S59 PolarHBondContact N-O 3.21Å; V56-S59 WeakPolarHBondContact O-CB 3.31Å; V56-S59 PolarHBondContact O-N 3.17Å; V56-L61 HydrophobicContact CG2-CD1 4.35Å; V56-L61 HydrophobicContact CG2-CD2 3.99Å; V56-L61 HydrophobicContact CG2-CG 4.44Å; V56-I75 HydrophobicContact CG1-CG2 4.02Å; V56-I75 HydrophobicContact CG2-CG2 4.23Å; V56-V77 HydrophobicContact CG2-CB 4.48Å; V56-V77 HydrophobicContact CG2-CG2 3.93Å; V56-V186 HydrophobicContact CB-CG1 4.15Å; V56-V186 HydrophobicContact CG1-CG1 4.36Å; V56-V186 HydrophobicContact CG2-CG1 4.19Å
57F95.9Very high97Very high44 Ų4448.6 Ų48.619%0.19325%0.245CC..THydrogen-bonded Turntrans50.343-179.9-46.8-45.3000113.3A76 T141 R144 L145F57-A76 HydrophobicContact CE1-CB 3.99Å; F57-T141 HydrophobicContact CB-CG2 4.44Å; F57-T141 HydrophobicContact CD1-CG2 3.31Å; F57-T141 HydrophobicContact CE1-CG2 3.56Å; F57-T141 HydrophobicContact CG-CG2 3.87Å; F57-T141 HydrophobicContact CZ-CG2 4.31Å; F57-R144 HydrophobicContact CB-CG 4.18Å; F57-L145 WeakPolarHBondContact O-CA 3.22Å
58G96.4Very high96.8Very high0 Ų050 Ų500%025%0.253CS..THydrogen-bonded Turntrans88.4-7.3178.100000115.7V56 L145 R152V56-G58 PolarHBondContact O-N 2.57Å; G58-L145 VanDerWaalsContact N-CD1 3.32Å; G58-R152 WeakPolarHBondContact O-CD 3.14Å; G58-R152 PolarHBondContact O-NH1 2.99Å
59S96.7Very high96.6Very high4 Ų448.3 Ų48.33%0.02825%0.245CC..EExtended strand (participates in β ladder)trans-88.9119.1176.1-56.10000110.5E55 V56 A184E55-S59 CarbonylContact C-O 3.55Å; E55-S59 WeakPolarHBondContact CA-O 3.38Å; E55-S59 WeakPolarHBondContact CB-O 3.34Å; V56-S59 PolarHBondContact N-O 3.21Å; V56-S59 WeakPolarHBondContact O-CB 3.31Å; V56-S59 PolarHBondContact O-N 3.17Å; S59-A184 VanDerWaalsContact CB-O 3.25Å; S59-A184 WeakPolarHBondContact CB-O 3.31Å; S59-A184 PolarHBondContact OG-O 2.94Å
60E97.3Very high96.2Very high107 Ų10750.8 Ų50.850%0.526%0.262SS..EExtended strand (participates in β ladder)trans-68.6135.3-177.3-68.6172.1123.300111.8R152E60-R152 VanDerWaalsContact CD-CZ 3.47Å; E60-R152 IonicContact OE1-CZ 3.43Å; E60-R152 IonicContact OE1-NE 3.36Å; E60-R152 IonicContact OE1-NH2 3.28Å; E60-R152 PolarHBondContact OE1-NH2 2.97Å; E60-R152 IonicContact OE2-CZ 3.57Å; E60-R152 IonicContact OE2-NE 2.9Å; E60-R152 PolarHBondContact OE2-NE 3.48Å; E60-R152 IonicContact OE2-NH2 3.53Å
61L97.6Very high95.8Very high10 Ų1051.3 Ų51.35%0.05227%0.267CS..PPolyproline II helixtrans-84.2125174.8-61.2-174.4000110.2L47 L49 A54 V56 Y67 V77 V186L47-L61 HydrophobicContact CD2-CD1 3.82Å; L49-L61 HydrophobicContact CB-CB 4.16Å; L49-L61 HydrophobicContact CD2-CB 3.97Å; L49-L61 VanDerWaalsContact CD2-O 3.24Å; L49-L61 WeakPolarHBondContact CD2-O 3.38Å; A54-L61 HydrophobicContact CB-CD1 3.96Å; A54-L61 HydrophobicContact CB-CG 4.42Å; A54-L61 PolarHBondContact O-N 3.46Å; V56-L61 HydrophobicContact CG2-CD1 4.35Å; V56-L61 HydrophobicContact CG2-CD2 3.99Å; V56-L61 HydrophobicContact CG2-CG 4.44Å; L61-Y67 HydrophobicContact CB-CE2 4.27Å; L61-Y67 HydrophobicContact CD2-CD2 4.09Å; L61-Y67 HydrophobicContact CD2-CE1 4.3Å; L61-Y67 HydrophobicContact CD2-CE2 3.75Å; L61-V77 HydrophobicContact CD1-CG1 3.74Å; L61-V186 HydrophobicContact CD2-CG1 4.16Å; L61-V186 HydrophobicContact CD2-CG2 3.69Å
62N96.7Very high95.2Very high100 Ų10050.8 Ų50.854%0.53527%0.273SS..PPolyproline II helixtrans-71.8131.4166.8-64.9-43.4000111.3K65 Y67N62-K65 HydrophobicContact CB-CB 3.96Å; N62-K65 HydrophobicContact CB-CD 4.5Å; N62-K65 PolarHBondContact O-N 3.15Å; N62-Y67 WeakPolarHBondContact CB-OH 3.49Å; N62-Y67 PolarHBondContact N-OH 3.06Å
63R96.7Very high94.9Very high159 Ų15949.6 Ų49.660%0.626%0.258SS*.BIsolated β-bridgetrans-59.1137.7175.3-170.6-179.5179.9-171.4-1.6111L49 L50 K65L49-R63 WeakPolarHBondContact O-CA 3.37Å; L50-R63 PolarHBondContact O-NE 2.9Å; L50-R63 PolarHBondContact O-NH2 3.49Å; R63-K65 PolarHBondContact O-N 3.32Å; R63-K65 VanDerWaalsContact O-N 3.07Å
64N93.8Very high94.6Very high103 Ų10348.1 Ų48.155%0.55125%0.248SC*.THydrogen-bonded Turntrans60.47.7-178.8-48.1-30.3000115.2E48 L49E48-N64 WeakPolarHBondContact OE1-CA 3.42Å; L49-N64 PolarHBondContact O-N 2.92Å
65K95.9Very high94.5Very high77 Ų7748.8 Ų48.834%0.33525%0.25SS..  trans-84.1131.9167.1-179.4173.6168.7-170.30108.2N62 R63 Y67 D185N62-K65 HydrophobicContact CB-CB 3.96Å; N62-K65 HydrophobicContact CB-CD 4.5Å; N62-K65 PolarHBondContact O-N 3.15Å; R63-K65 PolarHBondContact O-N 3.32Å; R63-K65 VanDerWaalsContact O-N 3.07Å; K65-Y67 HydrophobicContact CB-CE2 3.97Å; K65-Y67 HydrophobicContact CD-CE1 3.76Å; K65-Y67 HydrophobicContact CD-CE2 4.4Å; K65-Y67 HydrophobicContact CG-CE1 4.17Å; K65-Y67 HydrophobicContact CG-CE2 4.02Å; K65-Y67 WeakPolarHBondContact O-CD2 3.31Å; K65-Y67 VanDerWaalsContact O-CE2 3.32Å; K65-Y67 WeakPolarHBondContact O-CE2 3.46Å; K65-D185 IonicContact NZ-OD2 3.78Å
66K95.1Very high94.5Very high116 Ų11649.3 Ų49.350%0.50426%0.255SS..EExtended strand (participates in β ladder)trans-88.6130.7172.2-63.8-175.2177.2-1730109.8L47 E48L47-K66 CarbonylContact O-C 3.56Å; L47-K66 WeakPolarHBondContact O-CA 3.34Å; E48-K66 HydrophobicContact CB-CG 4.35Å; E48-K66 HydrophobicContact CG-CG 4.36Å; E48-K66 WeakPolarHBondContact OE2-CE 3.41Å
67Y95.6Very high94.5Very high3 Ų349.3 Ų49.31%0.01226%0.255CS..EExtended strand (participates in β ladder)trans-114.4129.9175.4-57.3-90.3000108.9Q46 L47 L61 N62 K65 V186 E187Q46-Y67 CarbonylContact C-O 3.58Å; Q46-Y67 VanDerWaalsContact CA-O 3.25Å; Q46-Y67 WeakPolarHBondContact CA-O 3.43Å; L47-Y67 PolarHBondContact N-O 2.99Å; L47-Y67 PolarHBondContact O-N 2.95Å; L61-Y67 HydrophobicContact CB-CE2 4.27Å; L61-Y67 HydrophobicContact CD2-CD2 4.09Å; L61-Y67 HydrophobicContact CD2-CE1 4.3Å; L61-Y67 HydrophobicContact CD2-CE2 3.75Å; N62-Y67 WeakPolarHBondContact CB-OH 3.49Å; N62-Y67 PolarHBondContact N-OH 3.06Å; K65-Y67 HydrophobicContact CB-CE2 3.97Å; K65-Y67 HydrophobicContact CD-CE1 3.76Å; K65-Y67 HydrophobicContact CD-CE2 4.4Å; K65-Y67 HydrophobicContact CG-CE1 4.17Å; K65-Y67 HydrophobicContact CG-CE2 4.02Å; K65-Y67 WeakPolarHBondContact O-CD2 3.31Å; K65-Y67 VanDerWaalsContact O-CE2 3.32Å; K65-Y67 WeakPolarHBondContact O-CE2 3.46Å; Y67-V186 HydrophobicContact CD1-CB 3.66Å; Y67-V186 HydrophobicContact CD1-CG1 3.78Å; Y67-V186 HydrophobicContact CD1-CG2 4.16Å; Y67-V186 HydrophobicContact CE1-CB 3.89Å; Y67-V186 HydrophobicContact CE1-CG1 4.35Å; Y67-V186 HydrophobicContact CE1-CG2 3.9Å; Y67-V186 HydrophobicContact CG-CB 4.49Å; Y67-V186 HydrophobicContact CG-CG1 4.13Å; Y67-E187 HydrophobicContact CD1-CG 4.26Å
68T94.2Very high94.6Very high31 Ų3147.5 Ų47.519%0.1925%0.247CC..EExtended strand (participates in β ladder)trans-111.1113.7-174.2-53.60000111.5K44 V45 Q46 E187K44-T68 HydrophobicContact CB-CG2 4.24Å; K44-T68 HydrophobicContact CD-CG2 4.28Å; V45-T68 CarbonylContact O-C 3.55Å; V45-T68 WeakPolarHBondContact O-CA 3.45Å; Q46-T68 HydrophobicContact CG-CG2 4.28Å; T68-E187 WeakPolarHBondContact CA-OE1 3.21Å; T68-E187 PolarHBondContact N-OE1 3.49Å
69F93.4Very high94.7Very high5 Ų547.5 Ų47.52%0.02225%0.247CC..EExtended strand (participates in β ladder)trans-93.1135.6179.6-61.3-78.2000111.9F37 V39 V45 L47 I75 V186F37-F69 HydrophobicContact CE2-CD2 4.02Å; F37-F69 HydrophobicContact CE2-CG 4.39Å; F37-F69 AromaticContact CZ-CD2 3.67Å; F37-F69 HydrophobicContact CZ-CD2 3.67Å; F37-F69 AromaticContact CZ-CE2 3.79Å; F37-F69 HydrophobicContact CZ-CE2 3.79Å; F37-F69 HydrophobicContact CZ-CG 4.3Å; V39-F69 HydrophobicContact CG2-CB 3.91Å; V45-F69 PolarHBondContact N-O 3.07Å; V45-F69 PolarHBondContact O-N 3.46Å; L47-F69 HydrophobicContact CB-CD2 4.36Å; L47-F69 HydrophobicContact CB-CE2 3.71Å; L47-F69 HydrophobicContact CD2-CE2 3.95Å; L47-F69 HydrophobicContact CD2-CZ 4.33Å; F69-I75 HydrophobicContact CD1-CD1 3.45Å; F69-I75 VanDerWaalsContact CD1-CD1 3.45Å; F69-I75 HydrophobicContact CD1-CG1 3.6Å; F69-I75 HydrophobicContact CD2-CG1 4.46Å; F69-I75 HydrophobicContact CE1-CD1 3.54Å; F69-I75 HydrophobicContact CE1-CG1 3.83Å; F69-I75 HydrophobicContact CE1-CG2 4.19Å; F69-I75 HydrophobicContact CG-CD1 4.28Å; F69-I75 HydrophobicContact CG-CG1 3.93Å; F69-I75 HydrophobicContact CZ-CD1 4.42Å; F69-I75 HydrophobicContact CZ-CG1 4.33Å; F69-I75 HydrophobicContact CZ-CG2 4.05Å; F69-V186 HydrophobicContact CE1-CG1 3.86Å; F69-V186 HydrophobicContact CZ-CG1 3.57Å
70P90.1Very high94.8Very high54 Ų5450.3 Ų50.335%0.35126%0.257SS..PPolyproline II helixtrans-69.5165176.223.1-29.4000114V39 S73 R321V39-P70 WeakPolarHBondContact CB-O 3.37Å; V39-P70 WeakPolarHBondContact CG1-O 3.44Å; P70-S73 WeakPolarHBondContact CD-OG 3.39Å; P70-S73 WeakPolarHBondContact CG-OG 3.48Å; P70-S73 VanDerWaalsContact O-CB 3.24Å; P70-S73 WeakPolarHBondContact O-CB 3.34Å; P70-S73 PolarHBondContact O-N 2.89Å; P70-S73 PolarHBondContact O-OG 3.49Å; P70-R321 VanDerWaalsContact CB-NH2 3.28Å
71P88.1Confident94.8Very high55 Ų5552.2 Ų52.236%0.35727%0.266SS..THydrogen-bonded Turntrans-48.2141.3169.2-21.626.5000112.1E43 S73E43-P71 VanDerWaalsContact O-CA 3.32Å; E43-P71 WeakPolarHBondContact O-CA 3.44Å; E43-P71 WeakPolarHBondContact O-CD 3.41Å; E43-P71 WeakPolarHBondContact O-CG 3.35Å; E43-P71 VanDerWaalsContact O-N 3.16Å; P71-S73 PolarHBondContact O-N 3.13Å
72G86.1Confident94.8Very high45 Ų4552.6 Ų52.646%0.46427%0.272SS..THydrogen-bonded Turntrans73.41.8177.900000115.3V39V39-G72 PolarHBondContact O-N 3.18Å
73S90.7Very high94.9Very high20 Ų2048.1 Ų48.114%0.1425%0.249CC..  trans-64.1137.6174.3-610000111.1E38 V39 P70 P71E38-S73 WeakPolarHBondContact CA-O 3.42Å; V39-S73 PolarHBondContact N-O 2.97Å; P70-S73 WeakPolarHBondContact CD-OG 3.39Å; P70-S73 WeakPolarHBondContact CG-OG 3.48Å; P70-S73 VanDerWaalsContact O-CB 3.24Å; P70-S73 WeakPolarHBondContact O-CB 3.34Å; P70-S73 PolarHBondContact O-N 2.89Å; P70-S73 PolarHBondContact O-OG 3.49Å; P71-S73 PolarHBondContact O-N 3.13Å
74K92.6Very high94.9Very high66 Ų6641.1 Ų41.129%0.28722%0.224SC..EExtended strand (participates in β ladder)trans-119.9109.6177.1-63.3171.5164.234.60108.1E38 V298E38-K74 HydrophobicContact CG-CG 3.98Å; E38-K74 WeakPolarHBondContact OE2-CE 3.49Å; E38-K74 IonicContact OE2-NZ 2.74Å; E38-K74 PolarHBondContact OE2-NZ 2.84Å; K74-V298 HydrophobicContact CD-CB 3.84Å; K74-V298 HydrophobicContact CD-CG1 4.4Å; K74-V298 HydrophobicContact CD-CG2 3.95Å
75I95.9Very high95.1Very high21 Ų2136.2 Ų36.211%0.10820%0.198CC..EExtended strand (participates in β ladder)trans-125141.2-166.6-52.3-62.4000110.1R36 F37 V56 F69 V77R36-I75 WeakPolarHBondContact CA-O 3.46Å; F37-I75 HydrophobicContact CD1-CB 4.14Å; F37-I75 HydrophobicContact CD1-CG2 4.47Å; F37-I75 HydrophobicContact CD2-CB 4.44Å; F37-I75 HydrophobicContact CE1-CB 3.59Å; F37-I75 HydrophobicContact CE1-CG1 4.39Å; F37-I75 HydrophobicContact CE1-CG2 3.6Å; F37-I75 HydrophobicContact CE2-CB 3.92Å; F37-I75 HydrophobicContact CE2-CG1 3.91Å; F37-I75 HydrophobicContact CZ-CB 3.47Å; F37-I75 VanDerWaalsContact CZ-CB 3.47Å; F37-I75 HydrophobicContact CZ-CG1 3.75Å; F37-I75 HydrophobicContact CZ-CG2 3.67Å; F37-I75 PolarHBondContact N-O 3.34Å; F37-I75 PolarHBondContact O-N 2.87Å; V56-I75 HydrophobicContact CG1-CG2 4.02Å; V56-I75 HydrophobicContact CG2-CG2 4.23Å; F69-I75 HydrophobicContact CD1-CD1 3.45Å; F69-I75 VanDerWaalsContact CD1-CD1 3.45Å; F69-I75 HydrophobicContact CD1-CG1 3.6Å; F69-I75 HydrophobicContact CD2-CG1 4.46Å; F69-I75 HydrophobicContact CE1-CD1 3.54Å; F69-I75 HydrophobicContact CE1-CG1 3.83Å; F69-I75 HydrophobicContact CE1-CG2 4.19Å; F69-I75 HydrophobicContact CG-CD1 4.28Å; F69-I75 HydrophobicContact CG-CG1 3.93Å; F69-I75 HydrophobicContact CZ-CD1 4.42Å; F69-I75 HydrophobicContact CZ-CG1 4.33Å; F69-I75 HydrophobicContact CZ-CG2 4.05Å; I75-V77 HydrophobicContact CG2-CG2 4.23Å
76A97.3Very high95.2Very high15 Ų1533.2 Ų33.212%0.12419%0.187CC..EExtended strand (participates in β ladder)trans-122120.9168.100000109.1L35 R36 F57L35-A76 CarbonylContact O-C 3.58Å; L35-A76 WeakPolarHBondContact O-CA 3.34Å; R36-A76 HydrophobicContact CG-CB 4.43Å; F57-A76 HydrophobicContact CE1-CB 3.99Å
77V98.1Very high95.3Very high0 Ų028 Ų280%016%0.164CC..EExtended strand (participates in β ladder)trans-102.4108175.4-1760000107.5L29 E34 L35 F37 L47 A54 V56 L61 I75 V85L29-V77 WeakPolarHBondContact CD2-O 3.35Å; E34-V77 CarbonylContact C-O 3.54Å; E34-V77 WeakPolarHBondContact CA-O 3.44Å; E34-V77 WeakPolarHBondContact CB-O 3.45Å; L35-V77 HydrophobicContact CB-CB 4.34Å; L35-V77 PolarHBondContact N-O 3.33Å; L35-V77 PolarHBondContact O-N 2.89Å; F37-V77 HydrophobicContact CE1-CG2 3.96Å; L47-V77 HydrophobicContact CD1-CG2 4.13Å; L47-V77 HydrophobicContact CD2-CG2 3.48Å; L47-V77 VanDerWaalsContact CD2-CG2 3.48Å; L47-V77 HydrophobicContact CG-CG2 4.48Å; A54-V77 HydrophobicContact CB-CG1 3.88Å; V56-V77 HydrophobicContact CG2-CB 4.48Å; V56-V77 HydrophobicContact CG2-CG2 3.93Å; L61-V77 HydrophobicContact CD1-CG1 3.74Å; I75-V77 HydrophobicContact CG2-CG2 4.23Å; V77-V85 HydrophobicContact CG1-CG1 4.32Å
78F98.5Very high95.4Very high6 Ų629.8 Ų29.83%0.02618%0.177CC..EExtended strand (participates in β ladder)trans-102.7149.5-175.8-178.7-89.9000111.2E32 T33 E34 A54 E55 W80 T100 M102E32-F78 HydrophobicContact CB-CZ 4.39Å; T33-F78 WeakPolarHBondContact O-CD2 3.42Å; E34-F78 HydrophobicContact CB-CB 4.06Å; E34-F78 HydrophobicContact CB-CD2 3.97Å; A54-F78 CarbonylContact C-O 3.56Å; A54-F78 VanDerWaalsContact CA-O 3.29Å; A54-F78 WeakPolarHBondContact CA-O 3.07Å; E55-F78 HydrophobicContact CG-CD1 4.46Å; E55-F78 PolarHBondContact N-O 2.84Å; E55-F78 PolarHBondContact O-N 2.77Å; F78-W80 HydrophobicContact CD1-CD2 4.44Å; F78-W80 AromaticContact CE1-CD2 3.47Å; F78-W80 HydrophobicContact CE1-CD2 3.47Å; F78-W80 VanDerWaalsContact CE1-CD2 3.47Å; F78-W80 AromaticContact CE1-CE2 3.47Å; F78-W80 VanDerWaalsContact CE1-CE2 3.47Å; F78-W80 AromaticContact CE1-CE3 3.76Å; F78-W80 HydrophobicContact CE1-CE3 3.76Å; F78-W80 AromaticContact CE1-CG 3.84Å; F78-W80 HydrophobicContact CE1-CG 3.84Å; F78-W80 HydrophobicContact CE1-CH2 4.08Å; F78-W80 AromaticContact CE1-CZ2 3.81Å; F78-W80 HydrophobicContact CE1-CZ2 3.81Å; F78-W80 HydrophobicContact CE1-CZ3 4.05Å; F78-W80 AromaticContact CE1-NE1 3.82Å; F78-W80 HydrophobicContact CZ-CD2 4.2Å; F78-W80 HydrophobicContact CZ-CE3 4.02Å; F78-W80 HydrophobicContact CZ-CH2 4.19Å; F78-W80 HydrophobicContact CZ-CZ2 4.36Å; F78-W80 HydrophobicContact CZ-CZ3 4Å; F78-T100 HydrophobicContact CD2-CG2 4.44Å; F78-T100 HydrophobicContact CE2-CG2 4.35Å; F78-M102 HydrophobicContact CB-CE 4.34Å; F78-M102 HydrophobicContact CD1-CE 3.68Å; F78-M102 HydrophobicContact CD1-CG 4.4Å; F78-M102 HydrophobicContact CD2-CB 4.19Å; F78-M102 HydrophobicContact CD2-CE 4.41Å; F78-M102 HydrophobicContact CD2-CG 3.57Å; F78-M102 HydrophobicContact CE1-CB 4.24Å; F78-M102 HydrophobicContact CE1-CE 4.07Å; F78-M102 HydrophobicContact CE1-CG 4.39Å; F78-M102 HydrophobicContact CE2-CB 3.66Å; F78-M102 HydrophobicContact CE2-CG 3.57Å; F78-M102 HydrophobicContact CG-CE 3.88Å; F78-M102 HydrophobicContact CG-CG 4.01Å; F78-M102 HydrophobicContact CZ-CB 3.67Å; F78-M102 HydrophobicContact CZ-CG 3.99Å
79T98.6Very high95.4Very high0 Ų030.9 Ų30.90%019%0.194CC..EExtended strand (participates in β ladder)trans-132.6133.4171.7-178.60000112.8L29 E30 E32 T33 L53 Q81 G82L29-T79 HydrophobicContact CB-CG2 3.67Å; L29-T79 HydrophobicContact CD2-CG2 4.2Å; E30-T79 VanDerWaalsContact O-CG2 3.27Å; E30-T79 WeakPolarHBondContact O-CG2 3.43Å; E32-T79 VanDerWaalsContact CA-O 3.31Å; E32-T79 WeakPolarHBondContact CA-O 3.29Å; E32-T79 PolarHBondContact N-O 2.77Å; T33-T79 PolarHBondContact O-N 3.07Å; L53-T79 VanDerWaalsContact O-CB 3.24Å; L53-T79 WeakPolarHBondContact O-CB 3.35Å; L53-T79 PolarHBondContact O-OG1 2.92Å; T79-Q81 PolarHBondContact OG1-N 3.21Å; T79-G82 VanDerWaalsContact OG1-C 3.32Å; T79-G82 WeakPolarHBondContact OG1-CA 3.47Å; T79-G82 PolarHBondContact OG1-N 2.81Å; T79-G82 PolarHBondContact OG1-O 3.43Å
80W97.9Very high95.3Very high64 Ų6435.8 Ų35.824%0.24222%0.216CC..SBendtrans-79.9-26.6172.4-69.3105.4000113.2E32 E55 F78 M102 L103 L106 Y149E32-W80 HydrophobicContact CG-CE3 4.35Å; E55-W80 PolarHBondContact OE1-NE1 2.97Å; F78-W80 HydrophobicContact CD1-CD2 4.44Å; F78-W80 AromaticContact CE1-CD2 3.47Å; F78-W80 HydrophobicContact CE1-CD2 3.47Å; F78-W80 VanDerWaalsContact CE1-CD2 3.47Å; F78-W80 AromaticContact CE1-CE2 3.47Å; F78-W80 VanDerWaalsContact CE1-CE2 3.47Å; F78-W80 AromaticContact CE1-CE3 3.76Å; F78-W80 HydrophobicContact CE1-CE3 3.76Å; F78-W80 AromaticContact CE1-CG 3.84Å; F78-W80 HydrophobicContact CE1-CG 3.84Å; F78-W80 HydrophobicContact CE1-CH2 4.08Å; F78-W80 AromaticContact CE1-CZ2 3.81Å; F78-W80 HydrophobicContact CE1-CZ2 3.81Å; F78-W80 HydrophobicContact CE1-CZ3 4.05Å; F78-W80 AromaticContact CE1-NE1 3.82Å; F78-W80 HydrophobicContact CZ-CD2 4.2Å; F78-W80 HydrophobicContact CZ-CE3 4.02Å; F78-W80 HydrophobicContact CZ-CH2 4.19Å; F78-W80 HydrophobicContact CZ-CZ2 4.36Å; F78-W80 HydrophobicContact CZ-CZ3 4Å; W80-M102 HydrophobicContact CH2-CB 4.03Å; W80-M102 HydrophobicContact CZ2-CB 4.38Å; W80-M102 HydrophobicContact CZ2-CE 4.07Å; W80-L103 HydrophobicContact CH2-CD2 4.32Å; W80-L103 HydrophobicContact CZ3-CD2 3.76Å; W80-L103 HydrophobicContact CZ3-CG 4.3Å; W80-L106 HydrophobicContact CH2-CB 3.81Å; W80-L106 HydrophobicContact CH2-CD2 3.6Å; W80-L106 HydrophobicContact CH2-CG 4.28Å; W80-L106 HydrophobicContact CZ2-CB 4.04Å; W80-L106 HydrophobicContact CZ2-CD2 3.9Å; W80-L106 HydrophobicContact CZ2-CG 4.37Å; W80-L106 HydrophobicContact CZ3-CD2 3.96Å; W80-Y149 WeakPolarHBondContact CZ2-OH 3.39Å; W80-Y149 PolarHBondContact NE1-OH 2.7Å
81Q97.6Very high95.6Very high147 Ų14735.4 Ų35.469%0.68721%0.212SC*.SBendtrans-121.7-10.2-168.1-64.4-177.9-2.800113.7T79T79-Q81 PolarHBondContact OG1-N 3.21Å
82G97.9Very high95.8Very high17 Ų1739.6 Ų39.618%0.17523%0.227CC..  trans100.2144.6-169.800000111.8L29 T79L29-G82 WeakPolarHBondContact O-CA 3.23Å; T79-G82 VanDerWaalsContact OG1-C 3.32Å; T79-G82 WeakPolarHBondContact OG1-CA 3.47Å; T79-G82 PolarHBondContact OG1-N 2.81Å; T79-G82 PolarHBondContact OG1-O 3.43Å
83C98.4Very high96.1Very high7 Ų740 Ų405%0.04722%0.221CC..EExtended strand (participates in β ladder)trans-157.9164.6178.868.40000112.2L29 L49 T51 A54L29-C83 PolarHBondContact N-O 3.41Å; L29-C83 PolarHBondContact O-N 2.91Å; L49-C83 HydrophobicContact CD1-CB 3.84Å; T51-C83 VanDerWaalsContact O-CA 3.32Å; T51-C83 WeakPolarHBondContact O-CA 3.21Å; T51-C83 VanDerWaalsContact O-CB 3.27Å; T51-C83 WeakPolarHBondContact O-CB 3.5Å; A54-C83 HydrophobicContact CB-CB 4.24Å
84S98.2Very high96.4Very high11 Ų1140.6 Ų40.68%0.07723%0.227CC..EExtended strand (participates in β ladder)trans-117.3129.4166.4-53.50000109.6R26 F27 D28 L50 T51R26-S84 PolarHBondContact NH2-OG 3.05Å; F27-S84 WeakPolarHBondContact O-CA 3.42Å; D28-S84 WeakPolarHBondContact OD1-CB 3.35Å; D28-S84 PolarHBondContact OD1-OG 3.34Å; L50-S84 WeakPolarHBondContact CB-O 3.5Å; L50-S84 PolarHBondContact N-O 2.89Å; T51-S84 PolarHBondContact N-O 3.34Å; T51-S84 PolarHBondContact O-N 2.91Å; T51-S84 WeakPolarHBondContact OG1-CB 3.39Å; T51-S84 PolarHBondContact OG1-N 3.36Å; T51-S84 PolarHBondContact OG1-OG 3.39Å; T51-S84 VanDerWaalsContact OG1-OG 3.07Å
85V97.9Very high96.5Very high0 Ų042 Ų420%023%0.231CC..EExtended strand (participates in β ladder)trans-123.9152.6177.4-59.50000111.1R26 F27 L29 L35 L47 E48 L49 V77R26-V85 CarbonylContact C-O 3.29Å; R26-V85 WeakPolarHBondContact CA-O 2.85Å; F27-V85 HydrophobicContact CB-CG2 3.94Å; F27-V85 PolarHBondContact N-O 3.19Å; F27-V85 PolarHBondContact O-N 3.03Å; L29-V85 HydrophobicContact CD1-CG2 4.01Å; L35-V85 HydrophobicContact CD2-CG2 3.5Å; L47-V85 HydrophobicContact CD1-CB 3.86Å; L47-V85 HydrophobicContact CD1-CG1 4.37Å; L47-V85 HydrophobicContact CD1-CG2 4.08Å; E48-V85 CarbonylContact O-C 3.57Å; E48-V85 VanDerWaalsContact O-CA 3.27Å; E48-V85 WeakPolarHBondContact O-CA 3.27Å; L49-V85 HydrophobicContact CD1-CG1 3.86Å; V77-V85 HydrophobicContact CG1-CG1 4.32Å
86S97.9Very high96.6Very high15 Ų1543.9 Ų43.911%0.10524%0.243CC..EExtended strand (participates in β ladder)trans-113.5130.8172.8-178.70000109.7T25 L47 E48T25-S86 WeakPolarHBondContact O-CA 3.48Å; L47-S86 CarbonylContact C-O 3.6Å; L47-S86 WeakPolarHBondContact CA-O 3.45Å; E48-S86 PolarHBondContact N-O 2.84Å; E48-S86 PolarHBondContact O-N 2.85Å
87L97.2Very high96.6Very high6 Ų644 Ų443%0.03124%0.243CC..EExtended strand (participates in β ladder)trans-110.4121.6171.4-75.4-177.5000110.3G24 T25 F27 L35 F37 V45 Q46 L47 A94G24-L87 CarbonylContact C-O 3.51Å; G24-L87 WeakPolarHBondContact CA-O 3.12Å; T25-L87 PolarHBondContact N-O 2.89Å; T25-L87 PolarHBondContact O-N 3.44Å; F27-L87 HydrophobicContact CD2-CB 4.48Å; F27-L87 HydrophobicContact CD2-CD1 4.19Å; F27-L87 HydrophobicContact CD2-CG 4.29Å; F27-L87 HydrophobicContact CE2-CB 4.07Å; F27-L87 HydrophobicContact CE2-CD1 3.74Å; F27-L87 HydrophobicContact CE2-CG 4.13Å; F27-L87 HydrophobicContact CZ-CD1 4.42Å; L35-L87 HydrophobicContact CD2-CD1 3.71Å; L35-L87 HydrophobicContact CD2-CG 4.09Å; L35-L87 HydrophobicContact CG-CD1 4.39Å; F37-L87 HydrophobicContact CB-CD1 4.13Å; F37-L87 HydrophobicContact CD1-CD1 3.92Å; F37-L87 HydrophobicContact CD1-CD2 4.2Å; F37-L87 HydrophobicContact CE1-CD1 4.46Å; F37-L87 HydrophobicContact CE1-CD2 3.92Å; F37-L87 HydrophobicContact CE2-CD2 4.35Å; F37-L87 HydrophobicContact CG-CD1 3.96Å; F37-L87 HydrophobicContact CZ-CD2 4Å; V45-L87 HydrophobicContact CG1-CD2 3.77Å; Q46-L87 CarbonylContact O-C 3.43Å; Q46-L87 WeakPolarHBondContact O-CA 3.44Å; L47-L87 HydrophobicContact CB-CD2 3.9Å; L47-L87 HydrophobicContact CD1-CD2 3.45Å; L47-L87 VanDerWaalsContact CD1-CD2 3.45Å; L47-L87 HydrophobicContact CD1-CG 4.14Å; L47-L87 HydrophobicContact CG-CD2 4.27Å; L87-A94 HydrophobicContact CD1-CB 4.37Å
88S96.3Very high96.5Very high40 Ų4050.7 Ų50.728%0.2827%0.272SS..EExtended strand (participates in β ladder)trans-117.4130.9176.7-50.20000110.2G24 V45 Q46G24-S88 VanDerWaalsContact CA-OG 3.27Å; G24-S88 WeakPolarHBondContact CA-OG 3.49Å; V45-S88 CarbonylContact C-O 3.43Å; V45-S88 WeakPolarHBondContact CA-O 3.2Å; Q46-S88 PolarHBondContact N-O 3.33Å; Q46-S88 PolarHBondContact O-N 2.92Å
89G93.9Very high96.2Very high54 Ų5456.6 Ų56.656%0.55730%0.304SS*.SBendtrans115176.2-175.400000111.9
90K93.2Very high96.1Very high108 Ų10857.9 Ų57.947%0.4731%0.312SS..  trans-90.5128.1-176.9-57.1-174.9-167.4151.60112E40 E43 V45E40-K90 HydrophobicContact CB-CB 4.32Å; E40-K90 PolarHBondContact N-O 2.85Å; E40-K90 WeakPolarHBondContact OE2-CB 3.37Å; E40-K90 VanDerWaalsContact OE2-CD 3.31Å; E40-K90 WeakPolarHBondContact OE2-CD 3.35Å; E43-K90 HydrophobicContact CB-CB 4.35Å; E43-K90 HydrophobicContact CG-CB 4.12Å; E43-K90 HydrophobicContact CG-CD 4.1Å; E43-K90 HydrophobicContact CG-CG 4.47Å; E43-K90 WeakPolarHBondContact OE1-CE 3.39Å; E43-K90 IonicContact OE1-NZ 2.93Å; E43-K90 PolarHBondContact OE1-NZ 3.28Å; V45-K90 WeakPolarHBondContact CG2-O 3.27Å
91T94.6Very high96Very high46 Ų4655.4 Ų55.428%0.28230%0.304SS..EExtended strand (participates in β ladder)trans-113.1138.7175.153.30000109.4F37 E38 V45 V93 A94F37-T91 HydrophobicContact CB-CG2 4.28Å; F37-T91 HydrophobicContact CD2-CG2 4.25Å; E38-T91 CarbonylContact O-C 3.54Å; E38-T91 WeakPolarHBondContact O-CA 3.45Å; E38-T91 WeakPolarHBondContact O-CB 3.45Å; V45-T91 HydrophobicContact CG1-CG2 4.27Å; V45-T91 HydrophobicContact CG2-CG2 3.73Å; T91-V93 VanDerWaalsContact C-N 3.32Å; T91-A94 HydrophobicContact CG2-CB 4.43Å
92E92.3Very high96Very high144 Ų14449.1 Ų49.167%0.67328%0.275SS*.EExtended strand (participates in β ladder)trans-67.2-40.1170.5-176.9173.6179.200110.5E38E38-E92 HydrophobicContact CB-CB 4.41Å; E38-E92 PolarHBondContact O-N 3.43Å
93V93.4Very high96Very high54 Ų5452.2 Ų52.233%0.32729%0.287SS..EExtended strand (participates in β ladder)trans-146.9144.6173.772.50000109.8F37 E38 T91 Y95F37-V93 CarbonylContact C-O 3.47Å; F37-V93 WeakPolarHBondContact CA-O 3.43Å; F37-V93 WeakPolarHBondContact CB-O 3.28Å; E38-V93 HydrophobicContact CB-CG1 3.98Å; E38-V93 HydrophobicContact CG-CG1 3.73Å; E38-V93 PolarHBondContact N-O 3.38Å; T91-V93 VanDerWaalsContact C-N 3.32Å; V93-Y95 HydrophobicContact CG2-CD1 3.81Å; V93-Y95 HydrophobicContact CG2-CE1 4.17Å
94A96.4Very high95.9Very high32 Ų3255.6 Ų55.626%0.26430%0.304SS..EExtended strand (participates in β ladder)trans-148.512017100000110F27 R36 F37 L87 T91F27-A94 HydrophobicContact CZ-CB 4Å; R36-A94 CarbonylContact O-C 3.58Å; R36-A94 VanDerWaalsContact O-CA 3.31Å; R36-A94 WeakPolarHBondContact O-CA 3.48Å; F37-A94 HydrophobicContact CB-CB 3.92Å; L87-A94 HydrophobicContact CD1-CB 4.37Å; T91-A94 HydrophobicContact CG2-CB 4.43Å
95Y96.3Very high95.9Very high95 Ų9555.7 Ų55.737%0.37330%0.303SS..EExtended strand (participates in β ladder)trans-153.1153-178.466.4-82.4000112.2R36 V93R36-Y95 HydrophobicContact CB-CD1 4.37Å; R36-Y95 HydrophobicContact CB-CE1 3.96Å; R36-Y95 HydrophobicContact CB-CE2 4.3Å; R36-Y95 VanDerWaalsContact CD-OH 3.27Å; R36-Y95 WeakPolarHBondContact CD-OH 3.3Å; R36-Y95 PolarHBondContact N-O 3.44Å; R36-Y95 PolarHBondContact O-N 3.49Å; V93-Y95 HydrophobicContact CG2-CD1 3.81Å; V93-Y95 HydrophobicContact CG2-CE1 4.17Å
96V97.7Very high95.9Very high61 Ų6158.5 Ų58.537%0.3732%0.318SS..EExtended strand (participates in β ladder)trans-91.2133.7175.1179.90000109.5F27 L29 E34 L35F27-V96 HydrophobicContact CD1-CG2 4.21Å; L29-V96 HydrophobicContact CD1-CG2 4.44Å; L29-V96 HydrophobicContact CG-CG2 4.45Å; E34-V96 CarbonylContact O-C 3.6Å; E34-V96 WeakPolarHBondContact O-CA 3.27Å; L35-V96 HydrophobicContact CD1-CG2 4.2Å
97S96.4Very high95.9Very high17 Ų1762.6 Ų62.612%0.11934%0.339CS..EExtended strand (participates in β ladder)trans-120.5135.5176.6-168.50000110.9T33 E34 R36 D99T33-S97 WeakPolarHBondContact CA-O 3.36Å; T33-S97 WeakPolarHBondContact CB-O 3.3Å; E34-S97 PolarHBondContact N-O 3.31Å; E34-S97 PolarHBondContact O-N 3.49Å; R36-S97 PolarHBondContact NH1-OG 2.99Å; R36-S97 PolarHBondContact NH2-OG 2.87Å; S97-D99 PolarHBondContact OG-N 3.18Å
98K95.3Very high96Very high141 Ų14163.2 Ų63.261%0.61334%0.342SS*.  trans-93.9-19.8170.9-49.6-161.8-177.5-164.40112.4E30 T33 T100E30-K98 IonicContact OE1-NZ 2.98Å; E30-K98 IonicContact OE2-NZ 2.86Å; E30-K98 PolarHBondContact OE2-NZ 3.47Å; T33-K98 HydrophobicContact CG2-CB 4.26Å; T33-K98 HydrophobicContact CG2-CD 4.32Å; T33-K98 HydrophobicContact CG2-CG 3.78Å; K98-T100 PolarHBondContact O-N 2.91Å
99D93.6Very high96.1Very high129 Ų12961.9 Ų61.969%0.6933%0.332SS*.  trans-86.896.5-178.6-175.724000109.9R36 S97R36-D99 PolarHBondContact NH2-O 2.76Å; S97-D99 PolarHBondContact OG-N 3.18Å
100T95.2Very high96.4Very high27 Ų2761.8 Ų61.817%0.16633%0.326CS..  trans-136142.2-177.9820000111.2E34 F78 K98 M102E34-T100 HydrophobicContact CB-CG2 4.47Å; E34-T100 HydrophobicContact CG-CG2 3.6Å; F78-T100 HydrophobicContact CD2-CG2 4.44Å; F78-T100 HydrophobicContact CE2-CG2 4.35Å; K98-T100 PolarHBondContact O-N 2.91Å; T100-M102 PolarHBondContact O-N 3.35Å
101P96.6Very high96.6Very high13 Ų1358.8 Ų58.88%0.08432%0.321CS..SBendtrans-80.914.3173.333-36.5000113.6L103 L104 Y105 P292P101-L103 VanDerWaalsContact C-N 3.32Å; P101-L103 PolarHBondContact O-N 2.92Å; P101-L104 WeakPolarHBondContact O-CB 3.45Å; P101-L104 PolarHBondContact O-N 3.42Å; P101-Y105 HydrophobicContact CB-CE1 4.14Å; P101-Y105 HydrophobicContact CB-CE2 4.04Å; P101-Y105 HydrophobicContact CG-CD2 4.34Å; P101-Y105 HydrophobicContact CG-CE1 4.3Å; P101-Y105 HydrophobicContact CG-CE2 3.48Å; P101-Y105 VanDerWaalsContact CG-CE2 3.48Å; P101-Y105 VanDerWaalsContact CG-CZ 3.44Å; P101-Y105 VanDerWaalsContact CG-OH 3.3Å; P101-Y105 WeakPolarHBondContact CG-OH 3.26Å; P101-Y105 PolarHBondContact O-N 3.49Å; P101-Y105 VanDerWaalsContact O-N 3.11Å; P101-P292 HydrophobicContact CB-CG 3.95Å
102M97.5Very high96.8Very high14 Ų1456.8 Ų56.87%0.06931%0.309CS..Hα-helixtrans-61.3-36.4-170.8-75.5-66.8-69.200113.5F78 W80 T100 L104 Y105 L106 L145 Y149F78-M102 HydrophobicContact CB-CE 4.34Å; F78-M102 HydrophobicContact CD1-CE 3.68Å; F78-M102 HydrophobicContact CD1-CG 4.4Å; F78-M102 HydrophobicContact CD2-CB 4.19Å; F78-M102 HydrophobicContact CD2-CE 4.41Å; F78-M102 HydrophobicContact CD2-CG 3.57Å; F78-M102 HydrophobicContact CE1-CB 4.24Å; F78-M102 HydrophobicContact CE1-CE 4.07Å; F78-M102 HydrophobicContact CE1-CG 4.39Å; F78-M102 HydrophobicContact CE2-CB 3.66Å; F78-M102 HydrophobicContact CE2-CG 3.57Å; F78-M102 HydrophobicContact CG-CE 3.88Å; F78-M102 HydrophobicContact CG-CG 4.01Å; F78-M102 HydrophobicContact CZ-CB 3.67Å; F78-M102 HydrophobicContact CZ-CG 3.99Å; W80-M102 HydrophobicContact CH2-CB 4.03Å; W80-M102 HydrophobicContact CZ2-CB 4.38Å; W80-M102 HydrophobicContact CZ2-CE 4.07Å; T100-M102 PolarHBondContact O-N 3.35Å; M102-L104 VanDerWaalsContact C-N 3.32Å; M102-L104 PolarHBondContact O-N 2.92Å; M102-Y105 PolarHBondContact O-N 3.43Å; M102-Y105 HydrophobicContact SD-CD2 3.99Å; M102-L106 WeakPolarHBondContact O-CB 3.48Å; M102-L106 PolarHBondContact O-N 2.86Å; M102-L145 HydrophobicContact CE-CD1 4.04Å; M102-L145 HydrophobicContact CE-CD2 4.17Å; M102-L145 HydrophobicContact SD-CD2 3.79Å; M102-Y149 VanDerWaalsContact CE-OH 3.26Å; M102-Y149 WeakPolarHBondContact CE-OH 3.27Å
103L96.9Very high97.1Very high83 Ų8350.4 Ų50.444%0.43528%0.279SS..Hα-helixtrans-62.2-38.5174.1-76.5170.7000112.3W80 P101 L106 N107W80-L103 HydrophobicContact CH2-CD2 4.32Å; W80-L103 HydrophobicContact CZ3-CD2 3.76Å; W80-L103 HydrophobicContact CZ3-CG 4.3Å; P101-L103 VanDerWaalsContact C-N 3.32Å; P101-L103 PolarHBondContact O-N 2.92Å; L103-L106 PolarHBondContact O-N 2.81Å; L103-N107 WeakPolarHBondContact O-CB 3.34Å; L103-N107 PolarHBondContact O-N 2.79Å; L103-N107 PolarHBondContact O-ND2 3.11Å
104L97.7Very high97.4Very high78 Ų7854.6 Ų54.641%0.40830%0.295SS..Hα-helixtrans-68.1-38.9176.8-63.4173.9000111.2P101 M102 N107 T108 L291 P292P101-L104 WeakPolarHBondContact O-CB 3.45Å; P101-L104 PolarHBondContact O-N 3.42Å; M102-L104 VanDerWaalsContact C-N 3.32Å; M102-L104 PolarHBondContact O-N 2.92Å; L104-N107 PolarHBondContact O-N 3.27Å; L104-T108 WeakPolarHBondContact O-CB 3.39Å; L104-T108 PolarHBondContact O-N 3.44Å; L104-T108 PolarHBondContact O-OG1 3.41Å; L104-L291 HydrophobicContact CB-CD2 4.28Å; L104-P292 HydrophobicContact CD1-CG 3.57Å
105Y98.1Very high97.5Very high13 Ų1355 Ų555%0.05129%0.292CS..Hα-helixtrans-67.4-39.6175.2-57.8-26000112.2P101 M102 T108 H109 V142 L145 L291 P292P101-Y105 HydrophobicContact CB-CE1 4.14Å; P101-Y105 HydrophobicContact CB-CE2 4.04Å; P101-Y105 HydrophobicContact CG-CD2 4.34Å; P101-Y105 HydrophobicContact CG-CE1 4.3Å; P101-Y105 HydrophobicContact CG-CE2 3.48Å; P101-Y105 VanDerWaalsContact CG-CE2 3.48Å; P101-Y105 VanDerWaalsContact CG-CZ 3.44Å; P101-Y105 VanDerWaalsContact CG-OH 3.3Å; P101-Y105 WeakPolarHBondContact CG-OH 3.26Å; P101-Y105 PolarHBondContact O-N 3.49Å; P101-Y105 VanDerWaalsContact O-N 3.11Å; M102-Y105 PolarHBondContact O-N 3.43Å; M102-Y105 HydrophobicContact SD-CD2 3.99Å; Y105-T108 WeakPolarHBondContact O-CB 3.39Å; Y105-T108 PolarHBondContact O-N 3.01Å; Y105-H109 PolarHBondContact O-N 3.03Å; Y105-V142 HydrophobicContact CD1-CG2 4.44Å; Y105-V142 HydrophobicContact CE1-CG2 3.85Å; Y105-V142 HydrophobicContact CE2-CG2 4.06Å; Y105-L145 HydrophobicContact CD2-CD2 3.48Å; Y105-L145 VanDerWaalsContact CD2-CD2 3.48Å; Y105-L145 HydrophobicContact CE2-CD2 4.44Å; Y105-L145 HydrophobicContact CG-CD2 3.9Å; Y105-L291 HydrophobicContact CD1-CD1 4.22Å; Y105-L291 HydrophobicContact CE1-CB 4.45Å; Y105-L291 HydrophobicContact CE1-CD1 4.25Å; Y105-P292 PolarHBondContact OH-O 2.95Å
106L98.1Very high97.6Very high58 Ų5850.5 Ų50.530%0.30427%0.274SS..Hα-helixtrans-63.5-45.9174.2-17963.4000111.4W80 M102 L103 T108 H109 A110 Y149W80-L106 HydrophobicContact CH2-CB 3.81Å; W80-L106 HydrophobicContact CH2-CD2 3.6Å; W80-L106 HydrophobicContact CH2-CG 4.28Å; W80-L106 HydrophobicContact CZ2-CB 4.04Å; W80-L106 HydrophobicContact CZ2-CD2 3.9Å; W80-L106 HydrophobicContact CZ2-CG 4.37Å; W80-L106 HydrophobicContact CZ3-CD2 3.96Å; M102-L106 WeakPolarHBondContact O-CB 3.48Å; M102-L106 PolarHBondContact O-N 2.86Å; L103-L106 PolarHBondContact O-N 2.81Å; L106-T108 VanDerWaalsContact C-N 3.3Å; L106-T108 PolarHBondContact O-N 3.28Å; L106-H109 WeakPolarHBondContact O-CB 3.48Å; L106-H109 PolarHBondContact O-N 3.25Å; L106-A110 WeakPolarHBondContact O-CB 3.22Å; L106-A110 PolarHBondContact O-N 3.49Å; L106-Y149 HydrophobicContact CD1-CD2 4.42Å; L106-Y149 HydrophobicContact CD1-CE2 4.1Å
107N98.4Very high97.6Very high102 Ų10254 Ų5455%0.54528%0.281SS..Hα-helixtrans-61.1-40.4175.9-72.3-17.7000111.7L103 L104 A110 A111L103-N107 WeakPolarHBondContact O-CB 3.34Å; L103-N107 PolarHBondContact O-N 2.79Å; L103-N107 PolarHBondContact O-ND2 3.11Å; L104-N107 PolarHBondContact O-N 3.27Å; N107-A110 PolarHBondContact O-N 2.95Å; N107-A111 PolarHBondContact O-N 3.28Å
108T98.6Very high97.7Very high18 Ų1857.3 Ų57.311%0.1129%0.294CS..Hα-helixtrans-59.7-49.2173.8-59.30000110.4L104 Y105 L106 A110 A111 L112 L146 L267L104-T108 WeakPolarHBondContact O-CB 3.39Å; L104-T108 PolarHBondContact O-N 3.44Å; L104-T108 PolarHBondContact O-OG1 3.41Å; Y105-T108 WeakPolarHBondContact O-CB 3.39Å; Y105-T108 PolarHBondContact O-N 3.01Å; L106-T108 VanDerWaalsContact C-N 3.3Å; L106-T108 PolarHBondContact O-N 3.28Å; T108-A110 PolarHBondContact O-N 2.85Å; T108-A111 PolarHBondContact O-N 2.85Å; T108-L112 HydrophobicContact CG2-CD1 4.32Å; T108-L112 VanDerWaalsContact O-CG 3.31Å; T108-L112 WeakPolarHBondContact O-CG 3.27Å; T108-L112 PolarHBondContact O-N 2.93Å; T108-L146 HydrophobicContact CG2-CD2 4.3Å; T108-L267 HydrophobicContact CG2-CD1 3.81Å; T108-L267 HydrophobicContact CG2-CD2 3.88Å
109H98.6Very high97.8Very high12 Ų1250.8 Ų50.86%0.05627%0.267CS..Hα-helixtrans-58.8-44.8176170.672000112.5Y105 L106 A111 L112 E113 L146 Y149 A150 L153Y105-H109 PolarHBondContact O-N 3.03Å; L106-H109 WeakPolarHBondContact O-CB 3.48Å; L106-H109 PolarHBondContact O-N 3.25Å; H109-A111 VanDerWaalsContact C-N 3.33Å; H109-A111 PolarHBondContact O-N 3.23Å; H109-L112 PolarHBondContact O-N 3.25Å; H109-E113 PolarHBondContact O-N 2.79Å; H109-L146 HydrophobicContact CB-CD2 3.86Å; H109-Y149 HydrophobicContact CB-CD2 3.89Å; H109-Y149 VanDerWaalsContact CE1-CB 3.49Å; H109-Y149 WeakPolarHBondContact CE1-CB 3.31Å; H109-Y149 AromaticContact CG-CD2 3.86Å; H109-Y149 WeakPolarHBondContact ND1-CB 3.46Å; H109-A150 PolarHBondContact CE1-N 3.36Å; H109-L153 WeakPolarHBondContact NE2-CD1 3.41Å
110A98.6Very high97.9Very high53 Ų5349.6 Ų49.644%0.43826%0.257SS..Hα-helixtrans-60.4-42.217900000111.9L106 N107 T108 E113 Q114L106-A110 WeakPolarHBondContact O-CB 3.22Å; L106-A110 PolarHBondContact O-N 3.49Å; N107-A110 PolarHBondContact O-N 2.95Å; T108-A110 PolarHBondContact O-N 2.85Å; A110-E113 PolarHBondContact O-N 3.27Å; A110-Q114 PolarHBondContact O-N 3.45Å
111A98.7Very high98Very high44 Ų4457.5 Ų57.536%0.36428%0.284SS..Hα-helixtrans-64-42.4174.800000112.1N107 T108 H109 E113 Q114 M115N107-A111 PolarHBondContact O-N 3.28Å; T108-A111 PolarHBondContact O-N 2.85Å; H109-A111 VanDerWaalsContact C-N 3.33Å; H109-A111 PolarHBondContact O-N 3.23Å; A111-E113 VanDerWaalsContact C-N 3.34Å; A111-E113 PolarHBondContact O-N 3.35Å; A111-Q114 WeakPolarHBondContact O-CB 3.36Å; A111-Q114 PolarHBondContact O-N 3.33Å; A111-M115 WeakPolarHBondContact O-CG 3.47Å; A111-M115 PolarHBondContact O-N 2.96Å
112L98.8Very high98Very high4 Ų460.7 Ų60.72%0.02130%0.3CS..Hα-helixtrans-63.9-39.3175.4-65.8176.4000111.8T108 H109 Q114 M115 R116 P127 V129 L146 V265T108-L112 HydrophobicContact CG2-CD1 4.32Å; T108-L112 VanDerWaalsContact O-CG 3.31Å; T108-L112 WeakPolarHBondContact O-CG 3.27Å; T108-L112 PolarHBondContact O-N 2.93Å; H109-L112 PolarHBondContact O-N 3.25Å; L112-Q114 VanDerWaalsContact C-N 3.35Å; L112-M115 HydrophobicContact CD2-SD 4.17Å; L112-M115 WeakPolarHBondContact O-CB 3.47Å; L112-M115 PolarHBondContact O-N 3.24Å; L112-R116 WeakPolarHBondContact O-CG 3.48Å; L112-R116 PolarHBondContact O-N 3.36Å; L112-P127 HydrophobicContact CB-CG 4.46Å; L112-P127 HydrophobicContact CD2-CB 4.1Å; L112-P127 HydrophobicContact CD2-CG 4.24Å; L112-V129 HydrophobicContact CD1-CG2 3.91Å; L112-V129 HydrophobicContact CD2-CG2 3.46Å; L112-V129 VanDerWaalsContact CD2-CG2 3.46Å; L112-V129 HydrophobicContact CG-CG2 4.31Å; L112-L146 HydrophobicContact CD1-CD1 4.48Å; L112-V265 HydrophobicContact CD2-CB 4.49Å; L112-V265 HydrophobicContact CD2-CG2 4.04Å
113E98.8Very high97.8Very high11 Ų1165.8 Ų65.85%0.05133%0.328CS..Hα-helixtrans-65.6-36.8174.717456-160.100112.1H109 A110 A111 M115 R116 R117 L153 R155H109-E113 PolarHBondContact O-N 2.79Å; A110-E113 PolarHBondContact O-N 3.27Å; A111-E113 VanDerWaalsContact C-N 3.34Å; A111-E113 PolarHBondContact O-N 3.35Å; E113-M115 VanDerWaalsContact C-N 3.32Å; E113-M115 PolarHBondContact O-N 2.9Å; E113-R116 PolarHBondContact O-N 3.4Å; E113-R116 IonicContact OE2-NH1 2.78Å; E113-R117 WeakPolarHBondContact O-CG 3.47Å; E113-R117 PolarHBondContact O-N 2.9Å; E113-R117 VanDerWaalsContact OE1-CG 3.31Å; E113-R117 WeakPolarHBondContact OE1-CG 3.42Å; E113-R117 IonicContact OE1-CZ 2.92Å; E113-R117 IonicContact OE1-NE 2.77Å; E113-R117 PolarHBondContact OE1-NE 2.79Å; E113-R117 IonicContact OE1-NH2 3.83Å; E113-L153 HydrophobicContact CB-CD1 4.37Å; E113-L153 HydrophobicContact CG-CD1 3.81Å; E113-R155 IonicContact OE1-CZ 3.47Å; E113-R155 IonicContact OE1-NE 3.94Å; E113-R155 PolarHBondContact OE1-NE 3.06Å; E113-R155 IonicContact OE1-NH2 2.77Å; E113-R155 PolarHBondContact OE1-NH2 3.28Å; E113-R155 IonicContact OE2-CZ 3.7Å; E113-R155 IonicContact OE2-NE 3.82Å; E113-R155 PolarHBondContact OE2-NE 3.07Å; E113-R155 IonicContact OE2-NH2 3.65Å
114Q98.5Very high97.8Very high142 Ų14267.6 Ų67.666%0.66433%0.334SS*.Hα-helixtrans-60.7-42.4171.7-174.1179.5-0.900111.5A110 A111 L112 R116 R117 Q118A110-Q114 PolarHBondContact O-N 3.45Å; A111-Q114 WeakPolarHBondContact O-CB 3.36Å; A111-Q114 PolarHBondContact O-N 3.33Å; L112-Q114 VanDerWaalsContact C-N 3.35Å; Q114-R116 VanDerWaalsContact C-N 3.35Å; Q114-R116 PolarHBondContact O-N 2.91Å; Q114-R117 PolarHBondContact O-N 3Å; Q114-Q118 PolarHBondContact O-N 3.37Å
115M98.6Very high97.7Very high40 Ų4068.5 Ų68.520%0.19733%0.332CS..Hα-helixtrans-61-42.6173.8-65.1173.373.400111.6A111 L112 E113 Q118 A119 P127 D264 V265A111-M115 WeakPolarHBondContact O-CG 3.47Å; A111-M115 PolarHBondContact O-N 2.96Å; L112-M115 HydrophobicContact CD2-SD 4.17Å; L112-M115 WeakPolarHBondContact O-CB 3.47Å; L112-M115 PolarHBondContact O-N 3.24Å; E113-M115 VanDerWaalsContact C-N 3.32Å; E113-M115 PolarHBondContact O-N 2.9Å; M115-Q118 PolarHBondContact O-N 2.93Å; M115-A119 WeakPolarHBondContact O-CB 3.01Å; M115-A119 PolarHBondContact O-N 3.29Å; M115-P127 HydrophobicContact CB-CB 4.2Å; M115-P127 HydrophobicContact CB-CG 4.13Å; M115-P127 HydrophobicContact CE-CB 3.78Å; M115-P127 HydrophobicContact SD-CB 4.07Å; M115-D264 HydrophobicContact CE-CB 3.87Å; M115-V265 HydrophobicContact CE-CG2 4Å; M115-V265 HydrophobicContact SD-CG2 3.92Å
116R98.5Very high97.7Very high1 Ų168 Ų680%0.00433%0.33CS..Hα-helixtrans-61.9-44.6175.7-67.9-174.1-169.8101.75112.5L112 E113 Q114 Q118 A119 E120 P127 V235 G236L112-R116 WeakPolarHBondContact O-CG 3.48Å; L112-R116 PolarHBondContact O-N 3.36Å; E113-R116 PolarHBondContact O-N 3.4Å; E113-R116 IonicContact OE2-NH1 2.78Å; Q114-R116 VanDerWaalsContact C-N 3.35Å; Q114-R116 PolarHBondContact O-N 2.91Å; R116-Q118 VanDerWaalsContact C-N 3.32Å; R116-Q118 PolarHBondContact O-N 3.18Å; R116-A119 PolarHBondContact O-N 3.38Å; R116-E120 WeakPolarHBondContact O-CB 3.43Å; R116-E120 PolarHBondContact O-N 3.12Å; R116-P127 VanDerWaalsContact CG-CD 3.45Å; R116-P127 HydrophobicContact CG-CG 3.96Å; R116-V235 HydrophobicContact CB-CG1 4.5Å; R116-V235 WeakPolarHBondContact CG-O 3.3Å; R116-G236 PolarHBondContact NE-O 3.39Å
117R98.4Very high97.7Very high134 Ų13465.3 Ų65.351%0.50632%0.317SS..Hα-helixtrans-62.7-39.4177.5-71.8176.1-177.7-168-2.5111.9E113 Q114 R121E113-R117 WeakPolarHBondContact O-CG 3.47Å; E113-R117 PolarHBondContact O-N 2.9Å; E113-R117 VanDerWaalsContact OE1-CG 3.31Å; E113-R117 WeakPolarHBondContact OE1-CG 3.42Å; E113-R117 IonicContact OE1-CZ 2.92Å; E113-R117 IonicContact OE1-NE 2.77Å; E113-R117 PolarHBondContact OE1-NE 2.79Å; E113-R117 IonicContact OE1-NH2 3.83Å; Q114-R117 PolarHBondContact O-N 3Å; R117-R121 VanDerWaalsContact O-CG 3.27Å; R117-R121 WeakPolarHBondContact O-CG 3.27Å; R117-R121 PolarHBondContact O-N 3.43Å; R117-R121 VanDerWaalsContact O-N 3.15Å
118Q97.9Very high97.7Very high87 Ų8761 Ų6141%0.40729%0.293SS..Hα-helixtrans-65.8-49.7175.8-167.563.235.800110.7Q114 M115 R116 E120 R121 D122Q114-Q118 PolarHBondContact O-N 3.37Å; M115-Q118 PolarHBondContact O-N 2.93Å; R116-Q118 VanDerWaalsContact C-N 3.32Å; R116-Q118 PolarHBondContact O-N 3.18Å; Q118-E120 PolarHBondContact O-N 3.32Å; Q118-R121 WeakPolarHBondContact O-CB 3.44Å; Q118-R121 PolarHBondContact O-N 2.97Å; Q118-D122 WeakPolarHBondContact CG-OD2 3.4Å; Q118-D122 PolarHBondContact NE2-OD1 3.1Å; Q118-D122 VanDerWaalsContact NE2-OD1 3.1Å; Q118-D122 PolarHBondContact NE2-OD2 3.37Å; Q118-D122 PolarHBondContact O-N 2.88Å
119A96.9Very high97.8Very high4 Ų460.2 Ų60.23%0.03329%0.288CS..Hα-helixtrans-57.7-37.7176.600000113M115 R116 N123 E124 R125 R231M115-A119 WeakPolarHBondContact O-CB 3.01Å; M115-A119 PolarHBondContact O-N 3.29Å; R116-A119 PolarHBondContact O-N 3.38Å; A119-N123 CarbonylContact O-C 3.55Å; A119-N123 PolarHBondContact O-N 3.18Å; A119-E124 HydrophobicContact CB-CB 4.35Å; A119-E124 PolarHBondContact O-N 3.29Å; A119-R125 WeakPolarHBondContact CB-O 3.06Å; A119-R231 PolarHBondContact O-NH2 3.39Å
120E96.4Very high97.8Very high104 Ų10459.6 Ų59.649%0.48629%0.285SS..Hα-helixtrans-63.6-43.7175.4-170.3161.6-139.700112.1R116 Q118 R155 V235R116-E120 WeakPolarHBondContact O-CB 3.43Å; R116-E120 PolarHBondContact O-N 3.12Å; Q118-E120 PolarHBondContact O-N 3.32Å; E120-R155 IonicContact OE1-NH1 3.37Å; E120-R155 IonicContact OE2-CZ 3.53Å; E120-R155 IonicContact OE2-NH1 3.41Å; E120-R155 PolarHBondContact OE2-NH1 3.17Å; E120-R155 IonicContact OE2-NH2 3.33Å; E120-R155 PolarHBondContact OE2-NH2 3.41Å; E120-V235 HydrophobicContact CB-CG1 3.91Å; E120-V235 HydrophobicContact CG-CG1 4.42Å
121R97.3Very high97.8Very high192 Ų19257.1 Ų57.173%0.72526%0.264SS*.Hα-helixtrans-68.3-42.9178.5-72169.7-178.7-173.3-1.9112.7R117 Q118 N123R117-R121 VanDerWaalsContact O-CG 3.27Å; R117-R121 WeakPolarHBondContact O-CG 3.27Å; R117-R121 PolarHBondContact O-N 3.43Å; R117-R121 VanDerWaalsContact O-N 3.15Å; Q118-R121 WeakPolarHBondContact O-CB 3.44Å; Q118-R121 PolarHBondContact O-N 2.97Å; R121-N123 VanDerWaalsContact C-N 3.26Å; R121-N123 PolarHBondContact O-N 3.33Å
122D97.1Very high97.8Very high81 Ų8155 Ų5543%0.43325%0.247SC..THydrogen-bonded Turntrans-88.23.5-173.2-61.9-9.7000112.8Q118 E124Q118-D122 WeakPolarHBondContact CG-OD2 3.4Å; Q118-D122 PolarHBondContact NE2-OD1 3.1Å; Q118-D122 VanDerWaalsContact NE2-OD1 3.1Å; Q118-D122 PolarHBondContact NE2-OD2 3.37Å; Q118-D122 PolarHBondContact O-N 2.88Å; D122-E124 HydrophobicContact CB-CG 3.97Å; D122-E124 PolarHBondContact O-N 3.18Å
123N93.5Very high97.7Very high120 Ų12054.8 Ų54.864%0.64225%0.246SC*.THydrogen-bonded Turntrans60.127.1-173.3-159.636000114.5A119 R121 R231A119-N123 CarbonylContact O-C 3.55Å; A119-N123 PolarHBondContact O-N 3.18Å; R121-N123 VanDerWaalsContact C-N 3.26Å; R121-N123 PolarHBondContact O-N 3.33Å; N123-R231 VanDerWaalsContact C-NH1 3.29Å; N123-R231 VanDerWaalsContact CA-NH2 3.26Å; N123-R231 PolarHBondContact O-NH1 2.81Å; N123-R231 PolarHBondContact OD1-NE 3.48Å; N123-R231 PolarHBondContact OD1-NH1 3.2Å; N123-R231 VanDerWaalsContact OD1-NH1 3.13Å
124E96Very high97.7Very high121 Ų12155.7 Ų55.757%0.56525%0.253SS*.  trans-95.6-179.8178.3-60-173.4162.200112.4A119 D122 R231A119-E124 HydrophobicContact CB-CB 4.35Å; A119-E124 PolarHBondContact O-N 3.29Å; D122-E124 HydrophobicContact CB-CG 3.97Å; D122-E124 PolarHBondContact O-N 3.18Å; E124-R231 PolarHBondContact O-NH1 2.89Å; E124-R231 PolarHBondContact O-NH2 2.95Å
125R96.3Very high97.5Very high98 Ų9852.8 Ų52.837%0.3724%0.244SC..PPolyproline II helixtrans-82.3151.617469.7172.8-171.7-95-4.1111.4A119 E262 D264A119-R125 WeakPolarHBondContact CB-O 3.06Å; R125-E262 IonicContact CZ-OE2 3.18Å; R125-E262 IonicContact NH1-OE2 3.63Å; R125-E262 IonicContact NH2-OE2 3.22Å; R125-D264 IonicContact NH2-OD1 3.88Å; R125-D264 PolarHBondContact NH2-OD1 2.91Å
126G98Very high97.3Very high2 Ų252.5 Ų52.52%0.02124%0.244CC..PPolyproline II helixtrans-72.7172.7172.500000113.5S234 V235G126-S234 WeakPolarHBondContact CA-O 3.08Å; G126-S234 PolarHBondContact N-O 3.34Å; G126-V235 WeakPolarHBondContact CA-O 3.46Å
127P98.5Very high97.2Very high2 Ų252.7 Ų52.71%0.01325%0.245CC..PPolyproline II helixtrans-68.3135.2-175.229.4-34000112.1L112 M115 R116 V129 G237 C238 D264L112-P127 HydrophobicContact CB-CG 4.46Å; L112-P127 HydrophobicContact CD2-CB 4.1Å; L112-P127 HydrophobicContact CD2-CG 4.24Å; M115-P127 HydrophobicContact CB-CB 4.2Å; M115-P127 HydrophobicContact CB-CG 4.13Å; M115-P127 HydrophobicContact CE-CB 3.78Å; M115-P127 HydrophobicContact SD-CB 4.07Å; R116-P127 VanDerWaalsContact CG-CD 3.45Å; R116-P127 HydrophobicContact CG-CG 3.96Å; P127-V129 HydrophobicContact CB-CG2 4.22Å; P127-G237 VanDerWaalsContact O-CA 3.29Å; P127-G237 WeakPolarHBondContact O-CA 3.47Å; P127-C238 PolarHBondContact O-N 2.99Å; P127-D264 WeakPolarHBondContact CA-OD2 3.33Å
128R98.8Very high97.1Very high12 Ų1246.9 Ų46.95%0.04523%0.227CC..EExtended strand (participates in β ladder)trans-101.8112.3169.8-59.7-177179.1-175-7.9108.8F223 S224 F261 D264 V265R128-F223 HydrophobicContact CG-CE1 4.25Å; R128-S224 PolarHBondContact NH2-OG 3.22Å; R128-F261 WeakPolarHBondContact CD-O 3.44Å; R128-F261 PolarHBondContact NH1-O 3.35Å; R128-D264 PolarHBondContact N-OD2 3.46Å; R128-D264 PolarHBondContact O-N 3.08Å; R128-V265 PolarHBondContact O-N 3.47Å
129V98.9Very high97.1Very high0 Ų043.4 Ų43.40%021%0.211CC..EExtended strand (participates in β ladder)trans-113.2124.3-167.9-1730000110.2L112 P127 C238 I239 I240 V265 L267L112-V129 HydrophobicContact CD1-CG2 3.91Å; L112-V129 HydrophobicContact CD2-CG2 3.46Å; L112-V129 VanDerWaalsContact CD2-CG2 3.46Å; L112-V129 HydrophobicContact CG-CG2 4.31Å; P127-V129 HydrophobicContact CB-CG2 4.22Å; V129-C238 PolarHBondContact N-O 3.42Å; V129-I239 HydrophobicContact CB-CG1 4.32Å; V129-I239 CarbonylContact O-C 3.58Å; V129-I239 WeakPolarHBondContact O-CA 3.31Å; V129-I240 PolarHBondContact O-N 2.85Å; V129-V265 CarbonylContact C-O 3.56Å; V129-V265 WeakPolarHBondContact CA-O 3.35Å; V129-V265 HydrophobicContact CG1-CB 4.28Å; V129-V265 HydrophobicContact CG1-CG1 4.34Å; V129-V265 HydrophobicContact CG2-CB 4.33Å; V129-L267 HydrophobicContact CG1-CD1 3.85Å; V129-L267 HydrophobicContact CG1-CG 3.87Å
130M98.8Very high97Very high0 Ų046 Ų460%023%0.229CC..EExtended strand (participates in β ladder)trans-104.7129.3175.2-169.4177.261.900111.1V132 I240 T242 C257 A258 V263 V265 V266 L267M130-V132 HydrophobicContact CE-CG1 3.68Å; M130-V132 HydrophobicContact CG-CG1 3.76Å; M130-V132 HydrophobicContact SD-CG1 4Å; M130-I240 HydrophobicContact CB-CD1 4.48Å; M130-I240 HydrophobicContact CG-CB 4.41Å; M130-T242 HydrophobicContact CG-CG2 3.9Å; M130-T242 HydrophobicContact SD-CG2 4.32Å; M130-C257 HydrophobicContact SD-CB 4.04Å; M130-A258 HydrophobicContact CE-CB 3.86Å; M130-A258 HydrophobicContact SD-CB 4.37Å; M130-V263 HydrophobicContact CB-CG1 4.11Å; M130-V265 PolarHBondContact N-O 3.06Å; M130-V266 HydrophobicContact CB-CG2 4.36Å; M130-V266 HydrophobicContact CE-CB 4.45Å; M130-V266 HydrophobicContact CE-CG1 3.81Å; M130-V266 HydrophobicContact CE-CG2 3.76Å; M130-V266 CarbonylContact O-C 3.47Å; M130-V266 WeakPolarHBondContact O-CA 3.24Å; M130-L267 PolarHBondContact O-N 3.45Å
131V98.8Very high97Very high0 Ų043.7 Ų43.70%022%0.221CC..EExtended strand (participates in β ladder)trans-107.7116.4178.1-174.20000109.4K139 I239 I240 T242 L267 L269V131-K139 HydrophobicContact CG1-CB 4.09Å; V131-K139 HydrophobicContact CG1-CG 4.15Å; V131-I239 HydrophobicContact CG2-CG2 4.2Å; V131-I240 PolarHBondContact N-O 3.41Å; V131-T242 PolarHBondContact O-OG1 2.76Å; V131-T242 VanDerWaalsContact O-OG1 3.07Å; V131-L267 WeakPolarHBondContact CA-O 3.43Å; V131-L267 HydrophobicContact CG2-CB 4.39Å; V131-L267 HydrophobicContact CG2-CD1 4.23Å; V131-L269 HydrophobicContact CG1-CD1 4.13Å; V131-L269 HydrophobicContact CG1-CG 4.21Å
132V98.7Very high97.1Very high0 Ų034.7 Ų34.70%019%0.188CC..EExtended strand (participates in β ladder)trans-127.6158.5-172.8-56.30000112M130 T242 L254 V266 L267 V268 L269 L274 L278M130-V132 HydrophobicContact CE-CG1 3.68Å; M130-V132 HydrophobicContact CG-CG1 3.76Å; M130-V132 HydrophobicContact SD-CG1 4Å; V132-T242 HydrophobicContact CG1-CG2 4.09Å; V132-L254 HydrophobicContact CB-CD1 4.3Å; V132-L254 HydrophobicContact CG1-CD1 4.28Å; V132-L254 HydrophobicContact CG1-CD2 3.85Å; V132-V266 HydrophobicContact CG1-CG1 4.32Å; V132-V266 HydrophobicContact CG2-CG1 3.76Å; V132-L267 PolarHBondContact N-O 2.9Å; V132-V268 HydrophobicContact CG2-CB 4.18Å; V132-V268 HydrophobicContact CG2-CG1 4.31Å; V132-V268 HydrophobicContact CG2-CG2 3.72Å; V132-V268 WeakPolarHBondContact O-CA 3.48Å; V132-L269 PolarHBondContact O-N 2.56Å; V132-L274 HydrophobicContact CB-CD2 4.29Å; V132-L274 HydrophobicContact CG2-CD2 3.98Å; V132-L278 HydrophobicContact CG2-CD1 3.73Å
133G98Very high97.1Very high0 Ų030.9 Ų30.90%017%0.167CC..  trans149.4165.1-178.200000111.5K139 V246G133-K139 WeakPolarHBondContact O-CE 3.43Å; G133-K139 PolarHBondContact O-NZ 2.88Å; G133-V246 VanDerWaalsContact C-CG1 3.46Å; G133-V246 WeakPolarHBondContact O-CG1 3.47Å
134P97Very high97.3Very high30 Ų3027 Ų2720%0.19514%0.144CC..SBendtrans-64.2178.8-179.326.3-31.5000112.2V137 K139 V246 Q271P134-V137 HydrophobicContact CG-CG1 3.7Å; P134-V137 VanDerWaalsContact O-CG2 3.32Å; P134-V137 WeakPolarHBondContact O-CG2 3.23Å; P134-K139 PolarHBondContact O-NZ 3.37Å; P134-V246 HydrophobicContact CB-CG2 4.5Å; P134-Q271 HydrophobicContact CG-CB 4.49Å
135T95.1Very high97.4Very high80 Ų8021.4 Ų21.449%0.49112%0.118SC..THydrogen-bonded Turntrans-59.9149.1170.947.10000110.9V137T135-V137 PolarHBondContact O-N 3.49Å
136D94.1Very high97.5Very high35 Ų3516.8 Ų16.819%0.18710%0.101CC..THydrogen-bonded Turntrans61.542171.6-52.2-27.1000115.4V297 E299 R300 R305D136-V297 VanDerWaalsContact C-CG1 3.48Å; D136-V297 WeakPolarHBondContact O-CG1 3.48Å; D136-E299 HydrophobicContact CB-CG 4.48Å; D136-R300 PolarHBondContact OD2-N 3.49Å; D136-R305 IonicContact OD1-CZ 3.8Å; D136-R305 IonicContact OD1-NH1 3.8Å; D136-R305 IonicContact OD1-NH2 3.73Å; D136-R305 PolarHBondContact OD1-NH2 2.92Å; D136-R305 IonicContact OD2-CZ 2.79Å; D136-R305 IonicContact OD2-NH2 3.48Å; D136-R305 PolarHBondContact OD2-NH2 2.9Å
137V96.4Very high97.6Very high4 Ų416.7 Ų16.72%0.02410%0.1CC..SBendtrans-1154.6170.8-58.70000113.7P134 T135 K139 L269 D270 K293P134-V137 HydrophobicContact CG-CG1 3.7Å; P134-V137 VanDerWaalsContact O-CG2 3.32Å; P134-V137 WeakPolarHBondContact O-CG2 3.23Å; T135-V137 PolarHBondContact O-N 3.49Å; V137-K139 HydrophobicContact CG2-CD 4.47Å; V137-K139 HydrophobicContact CG2-CG 3.75Å; V137-L269 HydrophobicContact CB-CB 4.01Å; V137-L269 HydrophobicContact CG2-CB 3.59Å; V137-L269 HydrophobicContact CG2-CD1 4.21Å; V137-L269 HydrophobicContact CG2-CG 4.48Å; V137-L269 WeakPolarHBondContact O-CD1 3.42Å; V137-D270 HydrophobicContact CB-CB 4.38Å; V137-D270 HydrophobicContact CG1-CB 4.08Å; V137-K293 HydrophobicContact CB-CB 4.35Å
138G96.1Very high97.5Very high13 Ų1316.7 Ų16.713%0.13410%0.099CC..  trans86.719.7176.200000116.2S140 T141 V142G138-S140 PolarHBondContact O-N 3.47Å; G138-T141 WeakPolarHBondContact O-CB 3.46Å; G138-T141 PolarHBondContact O-N 3.06Å; G138-T141 VanDerWaalsContact O-N 3.09Å; G138-V142 PolarHBondContact O-N 3.06Å
139K97.5Very high97.5Very high14 Ų1416.6 Ų16.66%0.06110%0.099CC..Hα-helixtrans-50.9-53.6-178.9-63.7-168.2-63.2-72.10113.8V131 G133 P134 V137 T141 V142 C143 N241 T242 L269V131-K139 HydrophobicContact CG1-CB 4.09Å; V131-K139 HydrophobicContact CG1-CG 4.15Å; G133-K139 WeakPolarHBondContact O-CE 3.43Å; G133-K139 PolarHBondContact O-NZ 2.88Å; P134-K139 PolarHBondContact O-NZ 3.37Å; V137-K139 HydrophobicContact CG2-CD 4.47Å; V137-K139 HydrophobicContact CG2-CG 3.75Å; K139-T141 VanDerWaalsContact C-N 3.27Å; K139-T141 PolarHBondContact O-N 3.28Å; K139-V142 PolarHBondContact O-N 2.89Å; K139-C143 PolarHBondContact O-N 3.08Å; K139-C143 PolarHBondContact O-SG 2.82Å; K139-N241 WeakPolarHBondContact CB-OD1 3.32Å; K139-T242 WeakPolarHBondContact CE-O 3.41Å; K139-L269 HydrophobicContact CB-CD1 4.34Å; K139-L269 HydrophobicContact CG-CD1 3.9Å; K139-L269 HydrophobicContact CG-CG 4.5Å
140S96.6Very high97.5Very high59 Ų5916.6 Ų16.641%0.41310%0.099SC..Hα-helixtrans-63.5-34-179.9-50.20000112.4G138 C143 R144 N241G138-S140 PolarHBondContact O-N 3.47Å; S140-C143 PolarHBondContact O-N 2.86Å; S140-R144 WeakPolarHBondContact O-CB 3.19Å; S140-R144 PolarHBondContact O-N 3.06Å; S140-N241 PolarHBondContact OG-ND2 3.05Å; S140-N241 VanDerWaalsContact OG-ND2 3.13Å
141T96.6Very high97.4Very high54 Ų5417.3 Ų17.333%0.33110%0.103SC..Hα-helixtrans-66.8-45.8175.4-56.10000111.5F57 G138 K139 C143 R144 L145F57-T141 HydrophobicContact CB-CG2 4.44Å; F57-T141 HydrophobicContact CD1-CG2 3.31Å; F57-T141 HydrophobicContact CE1-CG2 3.56Å; F57-T141 HydrophobicContact CG-CG2 3.87Å; F57-T141 HydrophobicContact CZ-CG2 4.31Å; G138-T141 WeakPolarHBondContact O-CB 3.46Å; G138-T141 PolarHBondContact O-N 3.06Å; G138-T141 VanDerWaalsContact O-N 3.09Å; K139-T141 VanDerWaalsContact C-N 3.27Å; K139-T141 PolarHBondContact O-N 3.28Å; T141-C143 VanDerWaalsContact C-N 3.34Å; T141-R144 PolarHBondContact O-N 3.31Å; T141-L145 WeakPolarHBondContact O-CB 3.25Å; T141-L145 PolarHBondContact O-N 2.7Å
142V97.9Very high97.3Very high3 Ų321.5 Ų21.52%0.01812%0.119CC..Hα-helixtrans-63.6-41.5175.91730000110.7Y105 G138 K139 R144 L145 L146 L269Y105-V142 HydrophobicContact CD1-CG2 4.44Å; Y105-V142 HydrophobicContact CE1-CG2 3.85Å; Y105-V142 HydrophobicContact CE2-CG2 4.06Å; G138-V142 PolarHBondContact O-N 3.06Å; K139-V142 PolarHBondContact O-N 2.89Å; V142-R144 PolarHBondContact O-N 3.41Å; V142-L145 PolarHBondContact O-N 3.34Å; V142-L146 HydrophobicContact CG1-CD1 3.84Å; V142-L146 HydrophobicContact CG1-CG 4.21Å; V142-L146 WeakPolarHBondContact O-CB 3.41Å; V142-L146 VanDerWaalsContact O-CG 3.3Å; V142-L146 WeakPolarHBondContact O-CG 3.26Å; V142-L146 PolarHBondContact O-N 3.23Å; V142-L269 HydrophobicContact CB-CD1 4.29Å; V142-L269 HydrophobicContact CG2-CD1 3.86Å; V142-L269 HydrophobicContact CG2-CD2 4.43Å
143C98.3Very high97.3Very high1 Ų125.8 Ų25.81%0.00714%0.142CC..Hα-helixtrans-58.2-49.3174.2-65.90000111.1K139 S140 T141 L145 L146 L147 I239K139-C143 PolarHBondContact O-N 3.08Å; K139-C143 PolarHBondContact O-SG 2.82Å; S140-C143 PolarHBondContact O-N 2.86Å; T141-C143 VanDerWaalsContact C-N 3.34Å; C143-L145 PolarHBondContact O-N 3.07Å; C143-L146 PolarHBondContact O-N 3.24Å; C143-L147 WeakPolarHBondContact O-CB 3.34Å; C143-L147 WeakPolarHBondContact O-CD1 3.33Å; C143-L147 WeakPolarHBondContact O-CG 3.18Å; C143-L147 PolarHBondContact O-N 2.96Å; C143-I239 HydrophobicContact CB-CG2 3.94Å
144R97.5Very high97.2Very high39 Ų3928.9 Ų28.915%0.14717%0.174CC..Hα-helixtrans-57.8-46.3177.5-176.6176.1169.8156.14.9112.1F57 S140 T141 V142 L147 S148 A184 D185 Y190F57-R144 HydrophobicContact CB-CG 4.18Å; S140-R144 WeakPolarHBondContact O-CB 3.19Å; S140-R144 PolarHBondContact O-N 3.06Å; T141-R144 PolarHBondContact O-N 3.31Å; V142-R144 PolarHBondContact O-N 3.41Å; R144-L147 PolarHBondContact O-N 3.49Å; R144-S148 WeakPolarHBondContact O-CB 3.5Å; R144-S148 PolarHBondContact O-N 3.2Å; R144-S148 PolarHBondContact O-OG 2.86Å; R144-A184 HydrophobicContact CG-CB 4.23Å; R144-D185 PolarHBondContact NH2-O 3.03Å; R144-Y190 WeakPolarHBondContact CA-OH 3.43Å; R144-Y190 WeakPolarHBondContact CB-OH 3.24Å; R144-Y190 HydrophobicContact CG-CE1 4.36Å; R144-Y190 PolarHBondContact N-OH 3.49Å
145L98.1Very high97.2Very high4 Ų428.9 Ų28.92%0.02117%0.17CC..Hα-helixtrans-60.2-51.9179-176.467.1000112F57 G58 M102 Y105 T141 V142 C143 L147 S148 Y149F57-L145 WeakPolarHBondContact O-CA 3.22Å; G58-L145 VanDerWaalsContact N-CD1 3.32Å; M102-L145 HydrophobicContact CE-CD1 4.04Å; M102-L145 HydrophobicContact CE-CD2 4.17Å; M102-L145 HydrophobicContact SD-CD2 3.79Å; Y105-L145 HydrophobicContact CD2-CD2 3.48Å; Y105-L145 VanDerWaalsContact CD2-CD2 3.48Å; Y105-L145 HydrophobicContact CE2-CD2 4.44Å; Y105-L145 HydrophobicContact CG-CD2 3.9Å; T141-L145 WeakPolarHBondContact O-CB 3.25Å; T141-L145 PolarHBondContact O-N 2.7Å; V142-L145 PolarHBondContact O-N 3.34Å; C143-L145 PolarHBondContact O-N 3.07Å; L145-L147 VanDerWaalsContact C-N 3.34Å; L145-L147 PolarHBondContact O-N 3.36Å; L145-S148 PolarHBondContact O-N 3.05Å; L145-Y149 HydrophobicContact CD1-CD1 4.39Å; L145-Y149 HydrophobicContact CD1-CE1 3.74Å; L145-Y149 HydrophobicContact CD1-CE2 3.92Å; L145-Y149 VanDerWaalsContact CD1-CZ 3.47Å; L145-Y149 HydrophobicContact CD2-CE2 4.44Å; L145-Y149 HydrophobicContact CG-CD2 4.39Å; L145-Y149 HydrophobicContact CG-CE2 3.98Å; L145-Y149 PolarHBondContact O-N 3.18Å
146L98.6Very high97.3Very high1 Ų129.3 Ų29.31%0.00516%0.162CC..Hα-helixtrans-65-37.1-178.4-68.4177.5000112.4T108 H109 L112 V142 C143 A150 I239 L267T108-L146 HydrophobicContact CG2-CD2 4.3Å; H109-L146 HydrophobicContact CB-CD2 3.86Å; L112-L146 HydrophobicContact CD1-CD1 4.48Å; V142-L146 HydrophobicContact CG1-CD1 3.84Å; V142-L146 HydrophobicContact CG1-CG 4.21Å; V142-L146 WeakPolarHBondContact O-CB 3.41Å; V142-L146 VanDerWaalsContact O-CG 3.3Å; V142-L146 WeakPolarHBondContact O-CG 3.26Å; V142-L146 PolarHBondContact O-N 3.23Å; C143-L146 PolarHBondContact O-N 3.24Å; L146-A150 WeakPolarHBondContact O-CB 3.47Å; L146-A150 PolarHBondContact O-N 3.2Å; L146-A150 VanDerWaalsContact O-N 3.1Å; L146-I239 HydrophobicContact CB-CD1 3.54Å; L146-L267 HydrophobicContact CD1-CD1 3.63Å
147L98.5Very high97.5Very high0 Ų027.6 Ų27.60%015%0.154CC..Hα-helixtrans-65.5-48.5173.9-72.5164.1000111C143 R144 L145 Y149 A150 V151 P157 L159 I180 Y190 I239C143-L147 WeakPolarHBondContact O-CB 3.34Å; C143-L147 WeakPolarHBondContact O-CD1 3.33Å; C143-L147 WeakPolarHBondContact O-CG 3.18Å; C143-L147 PolarHBondContact O-N 2.96Å; R144-L147 PolarHBondContact O-N 3.49Å; L145-L147 VanDerWaalsContact C-N 3.34Å; L145-L147 PolarHBondContact O-N 3.36Å; L147-Y149 VanDerWaalsContact C-N 3.35Å; L147-Y149 PolarHBondContact O-N 3.21Å; L147-A150 WeakPolarHBondContact O-CB 3.35Å; L147-A150 PolarHBondContact O-N 2.97Å; L147-V151 WeakPolarHBondContact O-CG2 3.48Å; L147-V151 PolarHBondContact O-N 3.13Å; L147-P157 HydrophobicContact CD2-CB 3.83Å; L147-P157 HydrophobicContact CD2-CG 3.58Å; L147-L159 HydrophobicContact CD1-CB 3.76Å; L147-L159 HydrophobicContact CD1-CD1 3.84Å; L147-L159 HydrophobicContact CD1-CD2 4.27Å; L147-L159 HydrophobicContact CD1-CG 4.15Å; L147-I180 HydrophobicContact CB-CG1 4.48Å; L147-I180 HydrophobicContact CD1-CG1 4.13Å; L147-I180 HydrophobicContact CD2-CB 4.43Å; L147-I180 HydrophobicContact CD2-CG1 3.87Å; L147-I180 HydrophobicContact CG-CG1 4.38Å; L147-Y190 HydrophobicContact CD1-CE1 4.18Å; L147-I239 HydrophobicContact CD2-CB 4.1Å; L147-I239 HydrophobicContact CD2-CD1 3.76Å; L147-I239 HydrophobicContact CD2-CG1 4.23Å; L147-I239 HydrophobicContact CG-CB 4.29Å; L147-I239 HydrophobicContact CG-CD1 3.75Å
148S97.9Very high97.6Very high1 Ų127.5 Ų27.51%0.00715%0.153CC..Hα-helixtrans-58.6-43.6177.7-70.40000112R144 L145 V151 R152R144-S148 WeakPolarHBondContact O-CB 3.5Å; R144-S148 PolarHBondContact O-N 3.2Å; R144-S148 PolarHBondContact O-OG 2.86Å; L145-S148 PolarHBondContact O-N 3.05Å; S148-V151 WeakPolarHBondContact O-CG2 3.15Å; S148-V151 PolarHBondContact O-N 2.87Å; S148-R152 VanDerWaalsContact O-CG 3.25Å; S148-R152 WeakPolarHBondContact O-CG 3.34Å; S148-R152 PolarHBondContact O-N 3.45Å
149Y98.5Very high97.7Very high11 Ų1127 Ų274%0.04315%0.147CC..Hα-helixtrans-65.2-39.9175.8-70.1-8.3000112.5E55 W80 M102 L106 H109 L145 L147 R152 L153E55-Y149 WeakPolarHBondContact OE1-CE1 3.33Å; E55-Y149 PolarHBondContact OE1-OH 3.32Å; W80-Y149 WeakPolarHBondContact CZ2-OH 3.39Å; W80-Y149 PolarHBondContact NE1-OH 2.7Å; M102-Y149 VanDerWaalsContact CE-OH 3.26Å; M102-Y149 WeakPolarHBondContact CE-OH 3.27Å; L106-Y149 HydrophobicContact CD1-CD2 4.42Å; L106-Y149 HydrophobicContact CD1-CE2 4.1Å; H109-Y149 HydrophobicContact CB-CD2 3.89Å; H109-Y149 VanDerWaalsContact CE1-CB 3.49Å; H109-Y149 WeakPolarHBondContact CE1-CB 3.31Å; H109-Y149 AromaticContact CG-CD2 3.86Å; H109-Y149 WeakPolarHBondContact ND1-CB 3.46Å; L145-Y149 HydrophobicContact CD1-CD1 4.39Å; L145-Y149 HydrophobicContact CD1-CE1 3.74Å; L145-Y149 HydrophobicContact CD1-CE2 3.92Å; L145-Y149 VanDerWaalsContact CD1-CZ 3.47Å; L145-Y149 HydrophobicContact CD2-CE2 4.44Å; L145-Y149 HydrophobicContact CG-CD2 4.39Å; L145-Y149 HydrophobicContact CG-CE2 3.98Å; L145-Y149 PolarHBondContact O-N 3.18Å; L147-Y149 VanDerWaalsContact C-N 3.35Å; L147-Y149 PolarHBondContact O-N 3.21Å; Y149-R152 PolarHBondContact O-N 2.95Å; Y149-L153 PolarHBondContact O-N 3.47Å
150A98.4Very high97.8Very high0 Ų026.3 Ų26.30%014%0.144CC..Hα-helixtrans-61.9-45.3176.800000112.5H109 L146 L147 L153 R155 P157H109-A150 PolarHBondContact CE1-N 3.36Å; L146-A150 WeakPolarHBondContact O-CB 3.47Å; L146-A150 PolarHBondContact O-N 3.2Å; L146-A150 VanDerWaalsContact O-N 3.1Å; L147-A150 WeakPolarHBondContact O-CB 3.35Å; L147-A150 PolarHBondContact O-N 2.97Å; A150-L153 CarbonylContact O-C 3.53Å; A150-L153 PolarHBondContact O-N 3.04Å; A150-R155 HydrophobicContact CB-CB 4.21Å; A150-R155 VanDerWaalsContact O-CB 3.23Å; A150-R155 WeakPolarHBondContact O-CB 3.29Å; A150-R155 WeakPolarHBondContact O-CG 3.24Å; A150-R155 PolarHBondContact O-N 3.27Å; A150-P157 HydrophobicContact CB-CG 3.89Å
151V97.6Very high97.8Very high14 Ų1423.7 Ų23.79%0.08513%0.126CC..Hα-helixtrans-71.9-28.6178.8-62.20000113.3L147 S148 L153 G154 P157 I180 P183L147-V151 WeakPolarHBondContact O-CG2 3.48Å; L147-V151 PolarHBondContact O-N 3.13Å; S148-V151 WeakPolarHBondContact O-CG2 3.15Å; S148-V151 PolarHBondContact O-N 2.87Å; V151-L153 PolarHBondContact O-N 3.47Å; V151-G154 PolarHBondContact O-N 3.15Å; V151-P157 HydrophobicContact CG1-CG 4.32Å; V151-I180 HydrophobicContact CG1-CB 4.18Å; V151-I180 HydrophobicContact CG1-CG2 3.77Å; V151-I180 WeakPolarHBondContact CG1-O 3.41Å; V151-P183 HydrophobicContact CG2-CB 4.37Å; V151-P183 HydrophobicContact CG2-CG 3.81Å
152R96.7Very high97.9Very high88 Ų8821.2 Ų21.233%0.33211%0.11SC..Hα-helixtrans-61-27.9170-75.7168.774.8-172.2-1.3112.3E55 G58 E60 S148 Y149 G154 P183E55-R152 IonicContact OE2-CZ 3.94Å; E55-R152 IonicContact OE2-NH1 3.58Å; E55-R152 PolarHBondContact OE2-NH1 3.4Å; E55-R152 IonicContact OE2-NH2 2.85Å; G58-R152 WeakPolarHBondContact O-CD 3.14Å; G58-R152 PolarHBondContact O-NH1 2.99Å; E60-R152 VanDerWaalsContact CD-CZ 3.47Å; E60-R152 IonicContact OE1-CZ 3.43Å; E60-R152 IonicContact OE1-NE 3.36Å; E60-R152 IonicContact OE1-NH2 3.28Å; E60-R152 PolarHBondContact OE1-NH2 2.97Å; E60-R152 IonicContact OE2-CZ 3.57Å; E60-R152 IonicContact OE2-NE 2.9Å; E60-R152 PolarHBondContact OE2-NE 3.48Å; E60-R152 IonicContact OE2-NH2 3.53Å; S148-R152 VanDerWaalsContact O-CG 3.25Å; S148-R152 WeakPolarHBondContact O-CG 3.34Å; S148-R152 PolarHBondContact O-N 3.45Å; Y149-R152 PolarHBondContact O-N 2.95Å; R152-G154 VanDerWaalsContact C-N 3.32Å; R152-P183 HydrophobicContact CG-CG 4.1Å
153L97.2Very high97.9Very high90 Ų9022.1 Ų22.147%0.47112%0.115SC..THydrogen-bonded Turntrans-90.813.3172.1-61.7-175.7000113.7H109 E113 Y149 A150 V151 R155H109-L153 WeakPolarHBondContact NE2-CD1 3.41Å; E113-L153 HydrophobicContact CB-CD1 4.37Å; E113-L153 HydrophobicContact CG-CD1 3.81Å; Y149-L153 PolarHBondContact O-N 3.47Å; A150-L153 CarbonylContact O-C 3.53Å; A150-L153 PolarHBondContact O-N 3.04Å; V151-L153 PolarHBondContact O-N 3.47Å; L153-R155 VanDerWaalsContact C-N 3.3Å; L153-R155 PolarHBondContact O-N 3.47Å
154G96.6Very high97.8Very high66 Ų6622.1 Ų22.168%0.6812%0.115SC*.THydrogen-bonded Turntrans76.611.1177.400000115V151 R152V151-G154 PolarHBondContact O-N 3.15Å; R152-G154 VanDerWaalsContact C-N 3.32Å
155R97.6Very high97.7Very high30 Ų3020.6 Ų20.611%0.11311%0.112CC..  trans-76.2163.3173.5-54.1-61.1-171.5-173.8-3.7110.8E113 E120 A150 L153E113-R155 IonicContact OE1-CZ 3.47Å; E113-R155 IonicContact OE1-NE 3.94Å; E113-R155 PolarHBondContact OE1-NE 3.06Å; E113-R155 IonicContact OE1-NH2 2.77Å; E113-R155 PolarHBondContact OE1-NH2 3.28Å; E113-R155 IonicContact OE2-CZ 3.7Å; E113-R155 IonicContact OE2-NE 3.82Å; E113-R155 PolarHBondContact OE2-NE 3.07Å; E113-R155 IonicContact OE2-NH2 3.65Å; E120-R155 IonicContact OE1-NH1 3.37Å; E120-R155 IonicContact OE2-CZ 3.53Å; E120-R155 IonicContact OE2-NH1 3.41Å; E120-R155 PolarHBondContact OE2-NH1 3.17Å; E120-R155 IonicContact OE2-NH2 3.33Å; E120-R155 PolarHBondContact OE2-NH2 3.41Å; A150-R155 HydrophobicContact CB-CB 4.21Å; A150-R155 VanDerWaalsContact O-CB 3.23Å; A150-R155 WeakPolarHBondContact O-CB 3.29Å; A150-R155 WeakPolarHBondContact O-CG 3.24Å; A150-R155 PolarHBondContact O-N 3.27Å; L153-R155 VanDerWaalsContact C-N 3.3Å; L153-R155 PolarHBondContact O-N 3.47Å
156R96.5Very high97.4Very high88 Ų8822 Ų2233%0.33212%0.118SC..  trans-127.866.6175.6-67.2-173.1171-139.1-10.5111.1E181R156-E181 IonicContact CZ-OE1 2.73Å; R156-E181 IonicContact CZ-OE2 3.94Å; R156-E181 IonicContact NH1-OE1 2.94Å; R156-E181 PolarHBondContact NH1-OE1 3.39Å; R156-E181 IonicContact NH1-OE2 3.91Å; R156-E181 PolarHBondContact NH1-OE2 2.94Å; R156-E181 IonicContact NH2-OE2 2.73Å; R156-E181 PolarHBondContact NH2-OE2 3.17Å
157P98.1Very high96.8Very high0 Ų022.5 Ų22.50%012%0.121CC..PPolyproline II helixtrans-69.9155.117933.2-37.3000111.4L147 A150 V151 I180 G237L147-P157 HydrophobicContact CD2-CB 3.83Å; L147-P157 HydrophobicContact CD2-CG 3.58Å; A150-P157 HydrophobicContact CB-CG 3.89Å; V151-P157 HydrophobicContact CG1-CG 4.32Å; P157-I180 HydrophobicContact CG-CB 4.5Å; P157-I180 PolarHBondContact O-N 3.49Å; P157-G237 WeakPolarHBondContact CA-O 3.49Å
158T98.5Very high96.2Very high2 Ų224 Ų241%0.01214%0.137CC..EExtended strand (participates in β ladder)trans-97.3125.6170.8-590000110.2V160 A177 L178 F223 G237 C238 I239T158-V160 HydrophobicContact CG2-CG2 4.26Å; T158-A177 HydrophobicContact CG2-CB 3.98Å; T158-L178 CarbonylContact C-O 3.5Å; T158-L178 WeakPolarHBondContact CA-O 3.27Å; T158-F223 HydrophobicContact CG2-CD2 4.08Å; T158-F223 HydrophobicContact CG2-CE2 4.21Å; T158-G237 PolarHBondContact N-O 3.04Å; T158-C238 CarbonylContact O-C 3.59Å; T158-C238 WeakPolarHBondContact O-CA 3.29Å; T158-C238 VanDerWaalsContact O-CB 3.26Å; T158-C238 WeakPolarHBondContact O-CB 3.27Å; T158-I239 PolarHBondContact O-N 2.77Å
159L98.6Very high96Very high1 Ų124.2 Ų24.21%0.00514%0.138CC..EExtended strand (participates in β ladder)trans-76.2126.3162.5171.760.3000108.1L147 V169 A177 L178 I180 Y190 I239 N241L147-L159 HydrophobicContact CD1-CB 3.76Å; L147-L159 HydrophobicContact CD1-CD1 3.84Å; L147-L159 HydrophobicContact CD1-CD2 4.27Å; L147-L159 HydrophobicContact CD1-CG 4.15Å; L159-V169 HydrophobicContact CD2-CG2 3.66Å; L159-V169 HydrophobicContact CG-CG2 4.41Å; L159-A177 CarbonylContact O-C 3.32Å; L159-A177 WeakPolarHBondContact O-CA 3.49Å; L159-L178 PolarHBondContact N-O 2.92Å; L159-L178 PolarHBondContact O-N 3.03Å; L159-I180 HydrophobicContact CB-CD1 4.04Å; L159-I180 HydrophobicContact CB-CG1 4.07Å; L159-Y190 HydrophobicContact CD2-CD2 4.01Å; L159-Y190 HydrophobicContact CD2-CE2 3.54Å; L159-I239 WeakPolarHBondContact CA-O 2.93Å; L159-N241 HydrophobicContact CD1-CB 4.44Å
160V98.6Very high95.8Very high1 Ų124.2 Ų24.21%0.00614%0.14CC..EExtended strand (participates in β ladder)trans-109.7120.8167.41790000107.4T158 L162 S176 A177 C238 I239 I240 N241 F261T158-V160 HydrophobicContact CG2-CG2 4.26Å; V160-L162 HydrophobicContact CG1-CD2 3.63Å; V160-L162 HydrophobicContact CG1-CG 3.99Å; V160-S176 CarbonylContact C-O 3.51Å; V160-S176 WeakPolarHBondContact CA-O 3.09Å; V160-A177 HydrophobicContact CG2-CB 4.42Å; V160-C238 HydrophobicContact CG2-CB 4.22Å; V160-I239 PolarHBondContact N-O 3.06Å; V160-I240 HydrophobicContact CB-CB 4.27Å; V160-I240 HydrophobicContact CB-CG1 3.97Å; V160-I240 HydrophobicContact CB-CG2 4.18Å; V160-I240 HydrophobicContact CG1-CG1 4.47Å; V160-I240 HydrophobicContact CG1-CG2 4.08Å; V160-I240 HydrophobicContact CG2-CG1 4.28Å; V160-I240 CarbonylContact O-C 3.55Å; V160-I240 WeakPolarHBondContact O-CA 3.36Å; V160-N241 PolarHBondContact O-N 3.27Å; V160-F261 HydrophobicContact CB-CZ 4.47Å; V160-F261 HydrophobicContact CG1-CE1 4.18Å; V160-F261 HydrophobicContact CG1-CE2 4.26Å; V160-F261 HydrophobicContact CG1-CZ 3.62Å; V160-F261 HydrophobicContact CG2-CE1 3.89Å; V160-F261 HydrophobicContact CG2-CZ 4.19Å
161E98Very high95.7Very high4 Ų424.3 Ų24.32%0.01914%0.14CC..EExtended strand (participates in β ladder)trans-108.1109.7-179-176.157.9-92.600109.7D163 V169 M175 S176 N241E161-D163 VanDerWaalsContact OE1-CB 3.3Å; E161-D163 WeakPolarHBondContact OE1-CB 3.47Å; E161-D163 PolarHBondContact OE1-N 3.01Å; E161-V169 HydrophobicContact CB-CG2 4.36Å; E161-M175 WeakPolarHBondContact O-CA 3.46Å; E161-S176 PolarHBondContact N-O 3.41Å; E161-S176 PolarHBondContact O-N 2.99Å; E161-N241 WeakPolarHBondContact OE1-CB 3.46Å; E161-N241 PolarHBondContact OE1-ND2 2.97Å; E161-N241 PolarHBondContact OE2-ND2 3.4Å
162L98.3Very high95.7Very high1 Ų123.8 Ų23.81%0.00514%0.137CC..  trans-107.51.3178.5-49.3-179.6000112V160 V164 M175 Y212 T216 L219 I240 N241 C257V160-L162 HydrophobicContact CG1-CD2 3.63Å; V160-L162 HydrophobicContact CG1-CG 3.99Å; L162-V164 PolarHBondContact O-N 3.16Å; L162-M175 HydrophobicContact CB-CE 4.17Å; L162-M175 HydrophobicContact CD2-CE 3.45Å; L162-M175 VanDerWaalsContact CD2-CE 3.45Å; L162-M175 HydrophobicContact CG-CE 4.33Å; L162-Y212 WeakPolarHBondContact CB-OH 3.3Å; L162-Y212 VanDerWaalsContact O-CE2 3.29Å; L162-Y212 WeakPolarHBondContact O-CE2 3.29Å; L162-Y212 PolarHBondContact O-OH 3.48Å; L162-T216 HydrophobicContact CD1-CG2 4.25Å; L162-L219 HydrophobicContact CD2-CD1 3.84Å; L162-I240 HydrophobicContact CD1-CG2 3.47Å; L162-I240 VanDerWaalsContact CD1-CG2 3.47Å; L162-I240 HydrophobicContact CG-CG2 3.87Å; L162-N241 WeakPolarHBondContact CB-O 3.34Å; L162-N241 PolarHBondContact N-O 3.34Å; L162-C257 HydrophobicContact CD1-CB 4.35Å; L162-C257 WeakPolarHBondContact CD1-SG 3.5Å
163D97.7Very high95.8Very high23 Ų2319.6 Ų19.612%0.12312%0.121CC..  trans-80.695.8170.3-165-25.1000111.3E161 G165 Q166 C243E161-D163 VanDerWaalsContact OE1-CB 3.3Å; E161-D163 WeakPolarHBondContact OE1-CB 3.47Å; E161-D163 PolarHBondContact OE1-N 3.01Å; D163-G165 PolarHBondContact O-N 3.32Å; D163-G165 WeakPolarHBondContact OD1-CA 3.5Å; D163-G165 PolarHBondContact OD1-N 2.95Å; D163-Q166 PolarHBondContact OD1-N 3.06Å; D163-Q166 VanDerWaalsContact OD1-N 3.11Å; D163-C243 HydrophobicContact CB-CB 4.33Å
164V97.3Very high95.8Very high0 Ų015.3 Ų15.30%010%0.099CC..SBendtrans-68.2-15.5176.3-62.70000113.2L162 G173 M175 F200 S202 P205 Y212L162-V164 PolarHBondContact O-N 3.16Å; V164-G173 WeakPolarHBondContact O-CA 3.48Å; V164-G173 PolarHBondContact O-N 3.13Å; V164-M175 HydrophobicContact CG1-CG 3.55Å; V164-M175 HydrophobicContact CG1-SD 4.32Å; V164-F200 HydrophobicContact CB-CD1 3.78Å; V164-F200 HydrophobicContact CB-CE1 4.31Å; V164-F200 HydrophobicContact CG1-CB 3.97Å; V164-F200 HydrophobicContact CG1-CD1 3.57Å; V164-F200 HydrophobicContact CG1-CE1 4.3Å; V164-F200 HydrophobicContact CG1-CG 3.85Å; V164-F200 HydrophobicContact CG2-CD1 3.89Å; V164-F200 HydrophobicContact CG2-CE1 3.89Å; V164-S202 WeakPolarHBondContact CB-O 3.39Å; V164-P205 HydrophobicContact CG2-CG 3.94Å; V164-Y212 HydrophobicContact CG1-CD2 4.19Å; V164-Y212 HydrophobicContact CG1-CE2 3.98Å
165G95.3Very high95.9Very high8 Ų812.1 Ų12.18%0.0827%0.066CC..SBendtrans-88.5-34.7-179.200000113.6D163 T203 R309D163-G165 PolarHBondContact O-N 3.32Å; D163-G165 WeakPolarHBondContact OD1-CA 3.5Å; D163-G165 PolarHBondContact OD1-N 2.95Å; G165-T203 VanDerWaalsContact CA-O 3.24Å; G165-T203 WeakPolarHBondContact CA-O 3.21Å; G165-R309 WeakPolarHBondContact O-CD 3.12Å; G165-R309 WeakPolarHBondContact O-CG 3.41Å
166Q90.4Very high95.9Very high33 Ų3310.7 Ų10.715%0.1546%0.061CC..SBendtrans-139.575.5-177.7-63-69.6-71.400110.2D163 R305D163-Q166 PolarHBondContact OD1-N 3.06Å; D163-Q166 VanDerWaalsContact OD1-N 3.11Å; Q166-R305 PolarHBondContact NE2-O 3.06Å
167S86.5Confident96Very high11 Ų117 Ų78%0.0775%0.049CC..  trans-79.1130.3-180-179.20000111.8V169 S170S167-V169 PolarHBondContact OG-N 3.47Å; S167-S170 WeakPolarHBondContact CB-O 3.38Å; S167-S170 PolarHBondContact OG-N 2.79Å; S167-S170 PolarHBondContact OG-O 2.92Å
168G86Confident96Very high31 Ų317.1 Ų7.132%0.325%0.05SC..SBendtrans-84.5-6.517300000114.6
169V93.2Very high95.9Very high7 Ų77.9 Ų7.94%0.0426%0.055CC..SBendtrans-114.9-39.5-170.11750000112.5L159 E161 S167 S176 L178 P195L159-V169 HydrophobicContact CD2-CG2 3.66Å; L159-V169 HydrophobicContact CG-CG2 4.41Å; E161-V169 HydrophobicContact CB-CG2 4.36Å; S167-V169 PolarHBondContact OG-N 3.47Å; V169-S176 WeakPolarHBondContact CB-OG 3.27Å; V169-L178 HydrophobicContact CG1-CB 4.03Å; V169-L178 HydrophobicContact CG1-CD2 4.33Å; V169-L178 HydrophobicContact CG2-CB 4.14Å; V169-L178 HydrophobicContact CG2-CD2 4.24Å; V169-P195 HydrophobicContact CG1-CB 3.82Å
170S94.8Very high95.9Very high11 Ų118.1 Ų8.18%0.0776%0.056CC..SBendtrans-139-171.9-175.6-162.30000110.7S167 K312 F406S167-S170 WeakPolarHBondContact CB-O 3.38Å; S167-S170 PolarHBondContact OG-N 2.79Å; S167-S170 PolarHBondContact OG-O 2.92Å; S170-K312 WeakPolarHBondContact O-CG 3.25Å; S170-F406 WeakPolarHBondContact OG-CE2 3.34Å
171V96.5Very high95.7Very high2 Ų212.6 Ų12.61%0.0128%0.077CC..SBendtrans-64.5156.1176.2-57.40000110.8T174 I313 Y316 F406 M437V171-T174 HydrophobicContact CG2-CG2 3.82Å; V171-T174 WeakPolarHBondContact O-CB 3.35Å; V171-T174 VanDerWaalsContact O-CG2 3.24Å; V171-T174 WeakPolarHBondContact O-CG2 3.37Å; V171-T174 PolarHBondContact O-OG1 2.95Å; V171-I313 HydrophobicContact CB-CG1 4.27Å; V171-I313 HydrophobicContact CG1-CG1 4.37Å; V171-Y316 HydrophobicContact CG1-CD1 4.28Å; V171-Y316 HydrophobicContact CG1-CD2 4.23Å; V171-Y316 HydrophobicContact CG1-CG 3.84Å; V171-F406 HydrophobicContact CG1-CD2 4.2Å; V171-F406 HydrophobicContact CG1-CG 4.42Å; V171-F406 HydrophobicContact CG2-CD1 3.54Å; V171-F406 HydrophobicContact CG2-CD2 3.72Å; V171-F406 HydrophobicContact CG2-CE1 3.48Å; V171-F406 VanDerWaalsContact CG2-CE1 3.48Å; V171-F406 HydrophobicContact CG2-CE2 3.7Å; V171-F406 HydrophobicContact CG2-CG 3.67Å; V171-F406 HydrophobicContact CG2-CZ 3.59Å; V171-M437 HydrophobicContact CG2-CE 4.46Å
172P97.7Very high95.5Very high2 Ų219.1 Ų19.11%0.01310%0.102CC..SBendtrans-57.5156.3174.2-20.132.1000111.8T203 R309 I313 M437 I439P172-T203 HydrophobicContact CB-CG2 4.45Å; P172-R309 HydrophobicContact CB-CB 4.32Å; P172-R309 HydrophobicContact CB-CG 3.83Å; P172-R309 HydrophobicContact CG-CB 3.59Å; P172-R309 HydrophobicContact CG-CG 3.49Å; P172-R309 VanDerWaalsContact CG-CG 3.49Å; P172-I313 HydrophobicContact CG-CG1 4.45Å; P172-M437 WeakPolarHBondContact O-CE 3.38Å; P172-I439 HydrophobicContact CB-CD1 4.03Å; P172-I439 WeakPolarHBondContact O-CD1 3.48Å
173G97.9Very high95.3Very high0 Ų021.3 Ų21.30%012%0.116CC..SBendtrans77.223.8-175.500000114V164 F200 G201 S202 M437V164-G173 WeakPolarHBondContact O-CA 3.48Å; V164-G173 PolarHBondContact O-N 3.13Å; G173-F200 CarbonylContact O-C 3.56Å; G173-F200 WeakPolarHBondContact O-CA 3.33Å; G173-F200 WeakPolarHBondContact O-CB 3.42Å; G173-F200 PolarHBondContact O-N 3.34Å; G173-G201 PolarHBondContact O-N 3.31Å; G173-S202 VanDerWaalsContact CA-O 3.29Å; G173-S202 WeakPolarHBondContact CA-O 3.32Å; G173-M437 VanDerWaalsContact O-CE 3.28Å; G173-M437 WeakPolarHBondContact O-CE 3.41Å
174T98.3Very high95.1Very high0 Ų020.4 Ų20.40%011%0.112CC..EExtended strand (participates in β ladder)trans-127154.2179.565.30000111.1V171 V197 Y198 F406 M437V171-T174 HydrophobicContact CG2-CG2 3.82Å; V171-T174 WeakPolarHBondContact O-CB 3.35Å; V171-T174 VanDerWaalsContact O-CG2 3.24Å; V171-T174 WeakPolarHBondContact O-CG2 3.37Å; V171-T174 PolarHBondContact O-OG1 2.95Å; T174-V197 HydrophobicContact CG2-CG1 3.85Å; T174-Y198 VanDerWaalsContact CA-O 3.31Å; T174-Y198 WeakPolarHBondContact CA-O 3.43Å; T174-F406 HydrophobicContact CG2-CE1 3.71Å; T174-F406 HydrophobicContact CG2-CE2 4.4Å; T174-F406 HydrophobicContact CG2-CZ 3.39Å; T174-M437 HydrophobicContact CG2-CE 4.1Å
175M98.3Very high94.9Very high0 Ų022.5 Ų22.50%012%0.123CC..EExtended strand (participates in β ladder)trans-117.2137.1166.6-57.6174.969.100107E161 L162 V164 Y198 F200 Y212 L215 T216 L219E161-M175 WeakPolarHBondContact O-CA 3.46Å; L162-M175 HydrophobicContact CB-CE 4.17Å; L162-M175 HydrophobicContact CD2-CE 3.45Å; L162-M175 VanDerWaalsContact CD2-CE 3.45Å; L162-M175 HydrophobicContact CG-CE 4.33Å; V164-M175 HydrophobicContact CG1-CG 3.55Å; V164-M175 HydrophobicContact CG1-SD 4.32Å; M175-Y198 PolarHBondContact N-O 3.43Å; M175-Y198 VanDerWaalsContact N-O 3.16Å; M175-Y198 PolarHBondContact O-N 2.9Å; M175-F200 HydrophobicContact CG-CB 4.48Å; M175-Y212 HydrophobicContact CE-CD2 3.93Å; M175-Y212 HydrophobicContact CE-CE2 3.7Å; M175-Y212 HydrophobicContact CE-CG 4.44Å; M175-Y212 HydrophobicContact CG-CE2 4.47Å; M175-Y212 HydrophobicContact SD-CD2 3.62Å; M175-Y212 HydrophobicContact SD-CE2 3.84Å; M175-Y212 HydrophobicContact SD-CG 4.34Å; M175-L215 HydrophobicContact CE-CB 4.37Å; M175-L215 HydrophobicContact SD-CB 3.6Å; M175-L215 HydrophobicContact SD-CD1 3.95Å; M175-L215 HydrophobicContact SD-CG 4.44Å; M175-T216 VanDerWaalsContact CE-OG1 3.27Å; M175-T216 WeakPolarHBondContact CE-OG1 3.38Å; M175-L219 HydrophobicContact CB-CD1 3.66Å; M175-L219 HydrophobicContact CE-CD1 4.4Å
176S98.1Very high94.8Very high0 Ų022.7 Ų22.70%012%0.122CC..EExtended strand (participates in β ladder)trans-147.2162.9-16962.50000114.5V160 E161 V169 L196V160-S176 CarbonylContact C-O 3.51Å; V160-S176 WeakPolarHBondContact CA-O 3.09Å; E161-S176 PolarHBondContact N-O 3.41Å; E161-S176 PolarHBondContact O-N 2.99Å; V169-S176 WeakPolarHBondContact CB-OG 3.27Å; S176-L196 CarbonylContact C-O 3.54Å; S176-L196 WeakPolarHBondContact CA-O 3.28Å; S176-L196 WeakPolarHBondContact CB-O 3.46Å
177A98.1Very high94.8Very high11 Ų1124.8 Ų24.89%0.09113%0.132CC..EExtended strand (participates in β ladder)trans-132.3135.616900000110.7T158 L159 V160 L196 L219T158-A177 HydrophobicContact CG2-CB 3.98Å; L159-A177 CarbonylContact O-C 3.32Å; L159-A177 WeakPolarHBondContact O-CA 3.49Å; V160-A177 HydrophobicContact CG2-CB 4.42Å; A177-L196 HydrophobicContact CB-CB 4.34Å; A177-L196 PolarHBondContact N-O 2.89Å; A177-L196 PolarHBondContact O-N 2.94Å; A177-L219 HydrophobicContact CB-CD2 4.07Å
178L97.9Very high94.7Very high1 Ų128 Ų281%0.00515%0.146CC..EExtended strand (participates in β ladder)trans-133.7127.7-179.2179.966.4000110.3T158 L159 V169 I180 Y190 V192 P195T158-L178 CarbonylContact C-O 3.5Å; T158-L178 WeakPolarHBondContact CA-O 3.27Å; L159-L178 PolarHBondContact N-O 2.92Å; L159-L178 PolarHBondContact O-N 3.03Å; V169-L178 HydrophobicContact CG1-CB 4.03Å; V169-L178 HydrophobicContact CG1-CD2 4.33Å; V169-L178 HydrophobicContact CG2-CB 4.14Å; V169-L178 HydrophobicContact CG2-CD2 4.24Å; L178-I180 HydrophobicContact CB-CD1 4.36Å; L178-I180 HydrophobicContact CD2-CD1 3.77Å; L178-I180 HydrophobicContact CG-CD1 3.87Å; L178-I180 PolarHBondContact O-N 3.48Å; L178-Y190 HydrophobicContact CD2-CG 4.38Å; L178-V192 HydrophobicContact CD2-CG2 4.3Å; L178-P195 HydrophobicContact CD1-CB 4.21Å
179C97.1Very high95Very high19 Ų1927.2 Ų27.213%0.12814%0.138CC..EExtended strand (participates in β ladder)trans-76.4122.9172.2-177.10000109.6R226C179-R226 PolarHBondContact SG-NH2 2.8Å
180I97.3Very high94.9Very high6 Ų628.7 Ų28.73%0.03114%0.143CC..  trans-94.4113.2179.8-49.2-55.6000108.2L147 V151 P157 L159 L178 R182 Y190L147-I180 HydrophobicContact CB-CG1 4.48Å; L147-I180 HydrophobicContact CD1-CG1 4.13Å; L147-I180 HydrophobicContact CD2-CB 4.43Å; L147-I180 HydrophobicContact CD2-CG1 3.87Å; L147-I180 HydrophobicContact CG-CG1 4.38Å; V151-I180 HydrophobicContact CG1-CB 4.18Å; V151-I180 HydrophobicContact CG1-CG2 3.77Å; V151-I180 WeakPolarHBondContact CG1-O 3.41Å; P157-I180 HydrophobicContact CG-CB 4.5Å; P157-I180 PolarHBondContact O-N 3.49Å; L159-I180 HydrophobicContact CB-CD1 4.04Å; L159-I180 HydrophobicContact CB-CG1 4.07Å; L178-I180 HydrophobicContact CB-CD1 4.36Å; L178-I180 HydrophobicContact CD2-CD1 3.77Å; L178-I180 HydrophobicContact CG-CD1 3.87Å; L178-I180 PolarHBondContact O-N 3.48Å; I180-R182 VanDerWaalsContact CG2-O 3.31Å; I180-R182 WeakPolarHBondContact CG2-O 3.43Å; I180-Y190 HydrophobicContact CD1-CD1 3.78Å; I180-Y190 HydrophobicContact CD1-CE1 4.18Å; I180-Y190 HydrophobicContact CD1-CG 4.29Å
181E94.6Very high94.7Very high95 Ų9529.7 Ų29.744%0.44415%0.15SC..  trans-105.9-17.5-179.3-55.5-156.4166.300113.5R156R156-E181 IonicContact CZ-OE1 2.73Å; R156-E181 IonicContact CZ-OE2 3.94Å; R156-E181 IonicContact NH1-OE1 2.94Å; R156-E181 PolarHBondContact NH1-OE1 3.39Å; R156-E181 IonicContact NH1-OE2 3.91Å; R156-E181 PolarHBondContact NH1-OE2 2.94Å; R156-E181 IonicContact NH2-OE2 2.73Å; R156-E181 PolarHBondContact NH2-OE2 3.17Å
182R94.8Very high94.4Very high140 Ų14032.7 Ų32.753%0.52817%0.168SC..SBendtrans-144.4154.3-179.856.1-176173.8160.54109.7I180 S191I180-R182 VanDerWaalsContact CG2-O 3.31Å; I180-R182 WeakPolarHBondContact CG2-O 3.43Å; R182-S191 PolarHBondContact NE-OG 2.81Å; R182-S191 VanDerWaalsContact NH2-CB 3.27Å; R182-S191 PolarHBondContact NH2-OG 3.44Å
183P94.6Very high94Very high48 Ų4838.7 Ų38.731%0.31220%0.196SC..PPolyproline II helixtrans-53148.2172.8-24.132.9000110.3V151 R152 D185V151-P183 HydrophobicContact CG2-CB 4.37Å; V151-P183 HydrophobicContact CG2-CG 3.81Å; R152-P183 HydrophobicContact CG-CG 4.1Å; P183-D185 PolarHBondContact O-N 2.95Å
184A93.3Very high93.7Very high3 Ų343.3 Ų43.33%0.02523%0.234CC..PPolyproline II helixtrans-58.7136.2172.900000109.5S59 R144 G189 Y190S59-A184 VanDerWaalsContact CB-O 3.25Å; S59-A184 WeakPolarHBondContact CB-O 3.31Å; S59-A184 PolarHBondContact OG-O 2.94Å; R144-A184 HydrophobicContact CG-CB 4.23Å; A184-G189 CarbonylContact C-O 3.53Å; A184-G189 VanDerWaalsContact CA-O 3.26Å; A184-G189 WeakPolarHBondContact CA-O 3.35Å; A184-Y190 HydrophobicContact CB-CD1 3.86Å; A184-Y190 HydrophobicContact CB-CE1 4.08Å
185D93.3Very high93.6Very high45 Ų4545.4 Ų45.424%0.24125%0.248CC..BIsolated β-bridgetrans-63.3144.4169.6-175.5-84.3000109.5K65 R144 P183 E187 E188 G189K65-D185 IonicContact NZ-OD2 3.78Å; R144-D185 PolarHBondContact NH2-O 3.03Å; P183-D185 PolarHBondContact O-N 2.95Å; D185-E187 VanDerWaalsContact C-N 3.27Å; D185-E187 PolarHBondContact O-N 3.48Å; D185-E187 WeakPolarHBondContact OD1-CA 2.81Å; D185-E187 PolarHBondContact OD1-N 3.04Å; D185-E188 HydrophobicContact CB-CB 3.93Å; D185-E188 HydrophobicContact CB-CG 4.03Å; D185-E188 PolarHBondContact OD1-N 3.28Å; D185-G189 PolarHBondContact N-O 3.4Å; D185-G189 WeakPolarHBondContact O-CA 3.25Å; D185-G189 PolarHBondContact O-N 3.02Å
186V92.9Very high93.5Very high11 Ų1147.3 Ų47.37%0.06726%0.258CS..THydrogen-bonded Turntrans-61.6-37.9-175.6175.50000111.4V56 L61 Y67 F69V56-V186 HydrophobicContact CB-CG1 4.15Å; V56-V186 HydrophobicContact CG1-CG1 4.36Å; V56-V186 HydrophobicContact CG2-CG1 4.19Å; L61-V186 HydrophobicContact CD2-CG1 4.16Å; L61-V186 HydrophobicContact CD2-CG2 3.69Å; Y67-V186 HydrophobicContact CD1-CB 3.66Å; Y67-V186 HydrophobicContact CD1-CG1 3.78Å; Y67-V186 HydrophobicContact CD1-CG2 4.16Å; Y67-V186 HydrophobicContact CE1-CB 3.89Å; Y67-V186 HydrophobicContact CE1-CG1 4.35Å; Y67-V186 HydrophobicContact CE1-CG2 3.9Å; Y67-V186 HydrophobicContact CG-CB 4.49Å; Y67-V186 HydrophobicContact CG-CG1 4.13Å; F69-V186 HydrophobicContact CE1-CG1 3.86Å; F69-V186 HydrophobicContact CZ-CG1 3.57Å
187E89.1Confident93.5Very high78 Ų7847.7 Ų47.736%0.36426%0.26SS..THydrogen-bonded Turntrans-93.5-45.6-179.7-63173.6100.500111.3Y67 T68 D185Y67-E187 HydrophobicContact CD1-CG 4.26Å; T68-E187 WeakPolarHBondContact CA-OE1 3.21Å; T68-E187 PolarHBondContact N-OE1 3.49Å; D185-E187 VanDerWaalsContact C-N 3.27Å; D185-E187 PolarHBondContact O-N 3.48Å; D185-E187 WeakPolarHBondContact OD1-CA 2.81Å; D185-E187 PolarHBondContact OD1-N 3.04Å
188E85.8Confident93.5Very high79 Ų7947.3 Ų47.337%0.36926%0.256SS..THydrogen-bonded Turntrans-86.7-21.9-170.2-40.4177.3171.200113.3D185 F320D185-E188 HydrophobicContact CB-CB 3.93Å; D185-E188 HydrophobicContact CB-CG 4.03Å; D185-E188 PolarHBondContact OD1-N 3.28Å; E188-F320 HydrophobicContact CB-CD2 3.91Å; E188-F320 HydrophobicContact CB-CE1 4.43Å; E188-F320 HydrophobicContact CB-CE2 3.79Å; E188-F320 HydrophobicContact CB-CG 4.37Å; E188-F320 HydrophobicContact CB-CZ 4.02Å; E188-F320 HydrophobicContact CG-CD2 3.57Å; E188-F320 HydrophobicContact CG-CE2 3.16Å; E188-F320 HydrophobicContact CG-CG 4.48Å; E188-F320 HydrophobicContact CG-CZ 3.71Å; E188-F320 WeakPolarHBondContact OE1-CE2 3.47Å; E188-F320 WeakPolarHBondContact OE1-CZ 3.47Å; E188-F320 WeakPolarHBondContact OE2-CZ 3.26Å
189G90.9Very high93.5Very high14 Ų1447.6 Ų47.614%0.14426%0.258CS..BIsolated β-bridgetrans77.9-141.9-172.200000112.7A184 D185A184-G189 CarbonylContact C-O 3.53Å; A184-G189 VanDerWaalsContact CA-O 3.26Å; A184-G189 WeakPolarHBondContact CA-O 3.35Å; D185-G189 PolarHBondContact N-O 3.4Å; D185-G189 WeakPolarHBondContact O-CA 3.25Å; D185-G189 PolarHBondContact O-N 3.02Å
190Y92.3Very high93.5Very high37 Ų3747.1 Ų47.115%0.14525%0.254CS..SBendtrans-72.7140.6-174.8-59.6-65.7000112.1R144 L147 L159 L178 I180 A184 V192R144-Y190 WeakPolarHBondContact CA-OH 3.43Å; R144-Y190 WeakPolarHBondContact CB-OH 3.24Å; R144-Y190 HydrophobicContact CG-CE1 4.36Å; R144-Y190 PolarHBondContact N-OH 3.49Å; L147-Y190 HydrophobicContact CD1-CE1 4.18Å; L159-Y190 HydrophobicContact CD2-CD2 4.01Å; L159-Y190 HydrophobicContact CD2-CE2 3.54Å; L178-Y190 HydrophobicContact CD2-CG 4.38Å; I180-Y190 HydrophobicContact CD1-CD1 3.78Å; I180-Y190 HydrophobicContact CD1-CE1 4.18Å; I180-Y190 HydrophobicContact CD1-CG 4.29Å; A184-Y190 HydrophobicContact CB-CD1 3.86Å; A184-Y190 HydrophobicContact CB-CE1 4.08Å; Y190-V192 PolarHBondContact O-N 2.9Å
191S90.7Very high93.5Very high33 Ų3347.1 Ų47.123%0.23126%0.255CS..  trans-71.795.8167.4173.90000110.4R182 Q193R182-S191 PolarHBondContact NE-OG 2.81Å; R182-S191 VanDerWaalsContact NH2-CB 3.27Å; R182-S191 PolarHBondContact NH2-OG 3.44Å; S191-Q193 PolarHBondContact O-N 2.86Å
192V90.3Very high93.6Very high65 Ų6543 Ų4339%0.39424%0.236SC..  trans-77.294.5-178-174.30000110.5L178 Y190 P195L178-V192 HydrophobicContact CD2-CG2 4.3Å; Y190-V192 PolarHBondContact O-N 2.9Å; V192-P195 HydrophobicContact CG1-CB 4.08Å; V192-P195 HydrophobicContact CG1-CG 3.55Å
193Q89.3Confident93.7Very high127 Ų12738.8 Ų38.859%0.59323%0.226SC*.  trans-117.5119.3174.9-70-177.5-16.300109.9S191S191-Q193 PolarHBondContact O-N 2.86Å
194A91.3Very high93.7Very high98 Ų9839.7 Ų39.781%0.8123%0.231SC*.SBendtrans44.355.9-179.700000113.8
195P95.9Very high93.8Very high44 Ų4439.8 Ų39.829%0.28623%0.232SC..  trans-65.5146.4174.732-36.8000110.3V169 L178 V192 V197V169-P195 HydrophobicContact CG1-CB 3.82Å; L178-P195 HydrophobicContact CD1-CB 4.21Å; V192-P195 HydrophobicContact CG1-CB 4.08Å; V192-P195 HydrophobicContact CG1-CG 3.55Å; P195-V197 HydrophobicContact CB-CG2 3.88Å; P195-V197 HydrophobicContact CG-CG2 3.91Å
196L96.9Very high93.9Very high40 Ų4039.8 Ų39.821%0.20924%0.242CC..EExtended strand (participates in β ladder)trans-84.8120.8164.4178.366.6000107.6S176 A177 Y198 L219 V222 P402S176-L196 CarbonylContact C-O 3.54Å; S176-L196 WeakPolarHBondContact CA-O 3.28Å; S176-L196 WeakPolarHBondContact CB-O 3.46Å; A177-L196 HydrophobicContact CB-CB 4.34Å; A177-L196 PolarHBondContact N-O 2.89Å; A177-L196 PolarHBondContact O-N 2.94Å; L196-Y198 HydrophobicContact CD1-CE2 4.18Å; L196-Y198 HydrophobicContact CD2-CE2 3.94Å; L196-Y198 HydrophobicContact CG-CD2 4.49Å; L196-Y198 HydrophobicContact CG-CE2 3.91Å; L196-L219 HydrophobicContact CD2-CD2 3.84Å; L196-L219 HydrophobicContact CG-CD2 4.24Å; L196-V222 HydrophobicContact CD2-CB 3.88Å; L196-V222 HydrophobicContact CD2-CG1 3.5Å; L196-V222 VanDerWaalsContact CD2-CG1 3.5Å; L196-V222 HydrophobicContact CD2-CG2 4.48Å; L196-P402 HydrophobicContact CD1-CB 3.7Å; L196-P402 HydrophobicContact CD1-CG 4.17Å
197V97.9Very high93.9Very high8 Ų842.8 Ų42.85%0.04826%0.26CS..EExtended strand (participates in β ladder)trans-130.7131.7-175.4-172.60000110T174 P195 P402 V403 F406T174-V197 HydrophobicContact CG2-CG1 3.85Å; P195-V197 HydrophobicContact CB-CG2 3.88Å; P195-V197 HydrophobicContact CG-CG2 3.91Å; V197-P402 CarbonylContact O-C 3.54Å; V197-P402 WeakPolarHBondContact O-CA 3.29Å; V197-P402 WeakPolarHBondContact O-CB 3.18Å; V197-V403 HydrophobicContact CB-CG2 3.94Å; V197-V403 HydrophobicContact CG1-CG2 3.86Å; V197-V403 PolarHBondContact O-N 3.29Å; V197-F406 HydrophobicContact CG1-CE2 4.31Å; V197-F406 HydrophobicContact CG1-CZ 3.9Å
198Y97.9Very high94.2Very high2 Ų239.9 Ų39.91%0.00825%0.247CC..EExtended strand (participates in β ladder)trans-111.7141.4174.7-74-74.7000111.4T174 M175 L196 F200 L215 L219 E400 P402T174-Y198 VanDerWaalsContact CA-O 3.31Å; T174-Y198 WeakPolarHBondContact CA-O 3.43Å; M175-Y198 PolarHBondContact N-O 3.43Å; M175-Y198 VanDerWaalsContact N-O 3.16Å; M175-Y198 PolarHBondContact O-N 2.9Å; L196-Y198 HydrophobicContact CD1-CE2 4.18Å; L196-Y198 HydrophobicContact CD2-CE2 3.94Å; L196-Y198 HydrophobicContact CG-CD2 4.49Å; L196-Y198 HydrophobicContact CG-CE2 3.91Å; Y198-F200 PolarHBondContact O-N 2.74Å; Y198-L215 HydrophobicContact CD1-CD2 4.02Å; Y198-L215 HydrophobicContact CG-CD2 4.11Å; Y198-L219 HydrophobicContact CD2-CD1 4.25Å; Y198-L219 HydrophobicContact CD2-CD2 3.62Å; Y198-L219 HydrophobicContact CD2-CG 3.59Å; Y198-L219 HydrophobicContact CE2-CD2 3.64Å; Y198-L219 HydrophobicContact CE2-CG 3.73Å; Y198-E400 VanDerWaalsContact CE1-O 3.23Å; Y198-E400 WeakPolarHBondContact CE1-O 3.38Å; Y198-P402 HydrophobicContact CE1-CB 4.31Å
199H97.8Very high94.6Very high8 Ų838 Ų384%0.03724%0.239CC..EExtended strand (participates in β ladder)trans-74.5119.3171.417496.9000110.1L215 S380 V403 L435 I436H199-L215 VanDerWaalsContact O-CD1 3.27Å; H199-L215 WeakPolarHBondContact O-CD1 3.19Å; H199-S380 PolarHBondContact ND1-OG 3.48Å; H199-V403 HydrophobicContact CB-CG1 3.86Å; H199-L435 HydrophobicContact CB-CD1 3.64Å; H199-I436 PolarHBondContact CE1-O 2.96Å
200F97.9Very high94.8Very high9 Ų940.4 Ų40.44%0.03925%0.246CC..  trans-105.4-35163176.3-106000111.4V164 G173 M175 Y198 S202 T204 T207 N208 L211 Y212 L215V164-F200 HydrophobicContact CB-CD1 3.78Å; V164-F200 HydrophobicContact CB-CE1 4.31Å; V164-F200 HydrophobicContact CG1-CB 3.97Å; V164-F200 HydrophobicContact CG1-CD1 3.57Å; V164-F200 HydrophobicContact CG1-CE1 4.3Å; V164-F200 HydrophobicContact CG1-CG 3.85Å; V164-F200 HydrophobicContact CG2-CD1 3.89Å; V164-F200 HydrophobicContact CG2-CE1 3.89Å; G173-F200 CarbonylContact O-C 3.56Å; G173-F200 WeakPolarHBondContact O-CA 3.33Å; G173-F200 WeakPolarHBondContact O-CB 3.42Å; G173-F200 PolarHBondContact O-N 3.34Å; M175-F200 HydrophobicContact CG-CB 4.48Å; Y198-F200 PolarHBondContact O-N 2.74Å; F200-S202 WeakPolarHBondContact CD1-O 3.37Å; F200-S202 WeakPolarHBondContact CE1-O 3.29Å; F200-S202 PolarHBondContact O-N 2.73Å; F200-T204 WeakPolarHBondContact CE1-O 3.39Å; F200-T207 WeakPolarHBondContact CZ-OG1 3.49Å; F200-N208 HydrophobicContact CE2-CB 4.3Å; F200-N208 WeakPolarHBondContact CE2-O 3.34Å; F200-L211 HydrophobicContact CD2-CB 4.46Å; F200-L211 HydrophobicContact CD2-CD2 3.89Å; F200-L211 HydrophobicContact CD2-CG 4.04Å; F200-L211 HydrophobicContact CE2-CB 4.31Å; F200-L211 HydrophobicContact CE2-CD2 4.26Å; F200-L211 HydrophobicContact CE2-CG 4.37Å; F200-Y212 HydrophobicContact CE2-CD2 4.39Å; F200-L215 HydrophobicContact CB-CD1 3.96Å; F200-L215 HydrophobicContact CD2-CD1 4.18Å
201G96.4Very high95Very high5 Ų538.7 Ų38.75%0.05224%0.239CC..  trans88.3-8.3169.700000115.7G173 M437 D438G173-G201 PolarHBondContact O-N 3.31Å; G201-M437 CarbonylContact O-C 3.5Å; G201-M437 WeakPolarHBondContact O-CA 3.35Å; G201-D438 PolarHBondContact O-N 2.99Å
202S96.6Very high95.3Very high9 Ų937.5 Ų37.56%0.06323%0.23CC..SBendtrans-136157-178.11770000113.3V164 G173 F200 T204 T207V164-S202 WeakPolarHBondContact CB-O 3.39Å; G173-S202 VanDerWaalsContact CA-O 3.29Å; G173-S202 WeakPolarHBondContact CA-O 3.32Å; F200-S202 WeakPolarHBondContact CD1-O 3.37Å; F200-S202 WeakPolarHBondContact CE1-O 3.29Å; F200-S202 PolarHBondContact O-N 2.73Å; S202-T204 VanDerWaalsContact C-N 3.3Å; S202-T204 PolarHBondContact O-N 2.93Å; S202-T207 WeakPolarHBondContact CB-OG1 3.49Å; S202-T207 WeakPolarHBondContact OG-CG2 3.32Å; S202-T207 PolarHBondContact OG-OG1 3.32Å; S202-T207 VanDerWaalsContact OG-OG1 3.08Å
203T96.4Very high95.6Very high52 Ų5236 Ų3632%0.31922%0.22SC..SBendtrans-85.1-0.1-177.958.10000114G165 P172 R309 I439G165-T203 VanDerWaalsContact CA-O 3.24Å; G165-T203 WeakPolarHBondContact CA-O 3.21Å; P172-T203 HydrophobicContact CB-CG2 4.45Å; T203-R309 VanDerWaalsContact CG2-CD 3.49Å; T203-I439 HydrophobicContact CG2-CD1 3.87Å; T203-I439 HydrophobicContact CG2-CG1 3.84Å
204T95.2Very high96Very high66 Ų6633.7 Ų33.741%0.40521%0.208SC..SBendtrans-139.7132.3176.4179.50000111.8F200 S202 G206 T207F200-T204 WeakPolarHBondContact CE1-O 3.39Å; S202-T204 VanDerWaalsContact C-N 3.3Å; S202-T204 PolarHBondContact O-N 2.93Å; T204-G206 PolarHBondContact O-N 3.01Å; T204-G206 VanDerWaalsContact O-N 3.11Å; T204-G206 PolarHBondContact OG1-N 3.29Å; T204-T207 HydrophobicContact CG2-CG2 3.78Å; T204-T207 PolarHBondContact O-N 3.48Å; T204-T207 PolarHBondContact O-OG1 2.76Å
205P95.6Very high96.3Very high6 Ų629 Ų294%0.03917%0.169CC..G310 helixtrans-57.2-27.7177.6-24.734.3000113.5V164 T207 N208 I209 Y212 C243 W245V164-P205 HydrophobicContact CG2-CG 3.94Å; P205-T207 PolarHBondContact O-N 3.3Å; P205-T207 VanDerWaalsContact O-N 3.12Å; P205-N208 CarbonylContact O-C 3.57Å; P205-N208 VanDerWaalsContact O-C 3.32Å; P205-N208 PolarHBondContact O-N 3.27Å; P205-N208 VanDerWaalsContact O-N 3.12Å; P205-I209 HydrophobicContact CB-CD1 4.24Å; P205-I209 PolarHBondContact O-N 2.88Å; P205-Y212 HydrophobicContact CB-CD1 4.21Å; P205-Y212 HydrophobicContact CB-CD2 3.75Å; P205-Y212 HydrophobicContact CB-CE1 4.44Å; P205-Y212 HydrophobicContact CB-CE2 4.02Å; P205-Y212 HydrophobicContact CB-CG 3.84Å; P205-Y212 HydrophobicContact CG-CD2 3.94Å; P205-Y212 HydrophobicContact CG-CE2 3.71Å; P205-Y212 HydrophobicContact CG-CG 4.44Å; P205-C243 HydrophobicContact CG-CB 4.37Å; P205-W245 HydrophobicContact CB-CE3 4.11Å; P205-W245 HydrophobicContact CB-CZ3 4.22Å
206G94.4Very high96.4Very high45 Ų4527 Ų2746%0.46416%0.156SC..G310 helixtrans-63-17.2-178.400000114.6T204 N208T204-G206 PolarHBondContact O-N 3.01Å; T204-G206 VanDerWaalsContact O-N 3.11Å; T204-G206 PolarHBondContact OG1-N 3.29Å; G206-N208 VanDerWaalsContact C-N 3.31Å
207T94.2Very high96.4Very high73 Ų7327.1 Ų27.145%0.44816%0.16SC..G310 helixtrans-65.8-33.6173.649.70000113F200 S202 T204 P205F200-T207 WeakPolarHBondContact CZ-OG1 3.49Å; S202-T207 WeakPolarHBondContact CB-OG1 3.49Å; S202-T207 WeakPolarHBondContact OG-CG2 3.32Å; S202-T207 PolarHBondContact OG-OG1 3.32Å; S202-T207 VanDerWaalsContact OG-OG1 3.08Å; T204-T207 HydrophobicContact CG2-CG2 3.78Å; T204-T207 PolarHBondContact O-N 3.48Å; T204-T207 PolarHBondContact O-OG1 2.76Å; P205-T207 PolarHBondContact O-N 3.3Å; P205-T207 VanDerWaalsContact O-N 3.12Å
208N94.6Very high96.4Very high17 Ų1726.9 Ų26.99%0.09116%0.159CC..  trans-158.980.2178.6-167.1-22.6000110.7F200 P205 G206 K210 L211 Y212 Q362F200-N208 HydrophobicContact CE2-CB 4.3Å; F200-N208 WeakPolarHBondContact CE2-O 3.34Å; P205-N208 CarbonylContact O-C 3.57Å; P205-N208 VanDerWaalsContact O-C 3.32Å; P205-N208 PolarHBondContact O-N 3.27Å; P205-N208 VanDerWaalsContact O-N 3.12Å; G206-N208 VanDerWaalsContact C-N 3.31Å; N208-K210 PolarHBondContact O-N 3.19Å; N208-L211 HydrophobicContact CB-CB 4.02Å; N208-L211 VanDerWaalsContact CG-CB 3.42Å; N208-L211 PolarHBondContact O-N 3.34Å; N208-L211 WeakPolarHBondContact OD1-CB 3.23Å; N208-L211 PolarHBondContact OD1-N 2.82Å; N208-Y212 PolarHBondContact O-N 3.48Å; N208-Q362 PolarHBondContact ND2-O 3.34Å
209I95.1Very high96.3Very high39 Ų3926.9 Ų26.920%0.216%0.159CC..Hα-helixtrans-64.4-29.8-174.8-163.858000112.8P205 Y212 N213 W245 A253P205-I209 HydrophobicContact CB-CD1 4.24Å; P205-I209 PolarHBondContact O-N 2.88Å; I209-Y212 HydrophobicContact CD1-CD1 4.21Å; I209-Y212 PolarHBondContact O-N 3.29Å; I209-N213 PolarHBondContact O-N 2.95Å; I209-W245 HydrophobicContact CD1-CZ3 3.96Å; I209-A253 HydrophobicContact CD1-CB 3.97Å
210K94.1Very high96.4Very high65 Ų6526.6 Ų26.628%0.28316%0.158SC..Hα-helixtrans-66-46.1175.4-73.8-165.4-169.8-163.40111.9N208 Y212 N213 K214 D359 Q362 L363N208-K210 PolarHBondContact O-N 3.19Å; K210-Y212 VanDerWaalsContact C-N 3.32Å; K210-N213 PolarHBondContact O-N 3.4Å; K210-K214 VanDerWaalsContact O-CB 3.28Å; K210-K214 WeakPolarHBondContact O-CB 3.27Å; K210-K214 PolarHBondContact O-N 2.84Å; K210-D359 WeakPolarHBondContact CE-OD1 3.44Å; K210-D359 VanDerWaalsContact CE-OD2 3.23Å; K210-D359 WeakPolarHBondContact CE-OD2 3.43Å; K210-D359 PolarHBondContact NZ-O 2.85Å; K210-D359 IonicContact NZ-OD1 2.7Å; K210-D359 PolarHBondContact NZ-OD1 3.43Å; K210-D359 IonicContact NZ-OD2 3.99Å; K210-D359 PolarHBondContact NZ-OD2 2.96Å; K210-Q362 HydrophobicContact CD-CB 4.35Å; K210-L363 HydrophobicContact CB-CD2 4.24Å
211L95.4Very high96.3Very high2 Ų230.3 Ų30.31%0.0118%0.176CC..Hα-helixtrans-61.1-44.6174.4-179.163.2000110.6F200 N208 N213 K214 L215 I342 L363F200-L211 HydrophobicContact CD2-CB 4.46Å; F200-L211 HydrophobicContact CD2-CD2 3.89Å; F200-L211 HydrophobicContact CD2-CG 4.04Å; F200-L211 HydrophobicContact CE2-CB 4.31Å; F200-L211 HydrophobicContact CE2-CD2 4.26Å; F200-L211 HydrophobicContact CE2-CG 4.37Å; N208-L211 HydrophobicContact CB-CB 4.02Å; N208-L211 VanDerWaalsContact CG-CB 3.42Å; N208-L211 PolarHBondContact O-N 3.34Å; N208-L211 WeakPolarHBondContact OD1-CB 3.23Å; N208-L211 PolarHBondContact OD1-N 2.82Å; L211-N213 PolarHBondContact O-N 2.91Å; L211-K214 PolarHBondContact O-N 2.6Å; L211-L215 HydrophobicContact CD1-CD1 4.15Å; L211-L215 HydrophobicContact CD1-CD2 4.37Å; L211-L215 HydrophobicContact CD1-CG 3.99Å; L211-L215 HydrophobicContact CG-CD1 3.97Å; L211-L215 HydrophobicContact CG-CG 4.22Å; L211-L215 WeakPolarHBondContact O-CB 3.39Å; L211-L215 VanDerWaalsContact O-CG 3.29Å; L211-L215 WeakPolarHBondContact O-CG 3.38Å; L211-L215 PolarHBondContact O-N 3.44Å; L211-I342 HydrophobicContact CD1-CD1 4.36Å; L211-I342 HydrophobicContact CD1-CG2 4.11Å; L211-I342 HydrophobicContact CD2-CB 4.15Å; L211-I342 HydrophobicContact CD2-CD1 4.09Å; L211-I342 HydrophobicContact CD2-CG2 3.73Å; L211-I342 HydrophobicContact CG-CG2 4.44Å; L211-L363 HydrophobicContact CB-CD2 3.94Å; L211-L363 HydrophobicContact CD1-CD2 4.2Å
212Y97.6Very high96.3Very high7 Ų731.7 Ų31.73%0.02718%0.183CC..Hα-helixtrans-56.3-47.8177.8-174-97000112.4L162 V164 M175 F200 P205 N208 I209 K210 L215 T216 A253L162-Y212 WeakPolarHBondContact CB-OH 3.3Å; L162-Y212 VanDerWaalsContact O-CE2 3.29Å; L162-Y212 WeakPolarHBondContact O-CE2 3.29Å; L162-Y212 PolarHBondContact O-OH 3.48Å; V164-Y212 HydrophobicContact CG1-CD2 4.19Å; V164-Y212 HydrophobicContact CG1-CE2 3.98Å; M175-Y212 HydrophobicContact CE-CD2 3.93Å; M175-Y212 HydrophobicContact CE-CE2 3.7Å; M175-Y212 HydrophobicContact CE-CG 4.44Å; M175-Y212 HydrophobicContact CG-CE2 4.47Å; M175-Y212 HydrophobicContact SD-CD2 3.62Å; M175-Y212 HydrophobicContact SD-CE2 3.84Å; M175-Y212 HydrophobicContact SD-CG 4.34Å; F200-Y212 HydrophobicContact CE2-CD2 4.39Å; P205-Y212 HydrophobicContact CB-CD1 4.21Å; P205-Y212 HydrophobicContact CB-CD2 3.75Å; P205-Y212 HydrophobicContact CB-CE1 4.44Å; P205-Y212 HydrophobicContact CB-CE2 4.02Å; P205-Y212 HydrophobicContact CB-CG 3.84Å; P205-Y212 HydrophobicContact CG-CD2 3.94Å; P205-Y212 HydrophobicContact CG-CE2 3.71Å; P205-Y212 HydrophobicContact CG-CG 4.44Å; N208-Y212 PolarHBondContact O-N 3.48Å; I209-Y212 HydrophobicContact CD1-CD1 4.21Å; I209-Y212 PolarHBondContact O-N 3.29Å; K210-Y212 VanDerWaalsContact C-N 3.32Å; Y212-L215 PolarHBondContact O-N 2.9Å; Y212-T216 WeakPolarHBondContact O-CB 3.25Å; Y212-T216 PolarHBondContact O-N 3.49Å; Y212-T216 PolarHBondContact O-OG1 3.24Å; Y212-A253 HydrophobicContact CD1-CB 4.18Å; Y212-A253 HydrophobicContact CE1-CB 4.08Å
213N97.5Very high96.3Very high35 Ų3531.6 Ų31.619%0.18718%0.181CC..Hα-helixtrans-67.3-39.2177.5-73.6-11.5000112.1I209 K210 L211 T216 S217 H256I209-N213 PolarHBondContact O-N 2.95Å; K210-N213 PolarHBondContact O-N 3.4Å; L211-N213 PolarHBondContact O-N 2.91Å; N213-T216 WeakPolarHBondContact O-CB 3.4Å; N213-T216 PolarHBondContact O-N 3.19Å; N213-S217 PolarHBondContact O-N 3.34Å; N213-S217 PolarHBondContact O-OG 2.81Å; N213-H256 PolarHBondContact O-NE2 2.85Å
214K96.3Very high96.3Very high78 Ų7830.5 Ų30.534%0.33918%0.176SC..Hα-helixtrans-61.4-46.5176.3-178.264.5177.8174.10111.5K210 L211 S217 C218 E400K210-K214 VanDerWaalsContact O-CB 3.28Å; K210-K214 WeakPolarHBondContact O-CB 3.27Å; K210-K214 PolarHBondContact O-N 2.84Å; L211-K214 PolarHBondContact O-N 2.6Å; K214-S217 PolarHBondContact O-N 2.92Å; K214-C218 PolarHBondContact O-N 3.07Å; K214-C218 PolarHBondContact O-SG 3.22Å; K214-E400 WeakPolarHBondContact CE-OE1 3.11Å; K214-E400 IonicContact NZ-OE1 3.86Å; K214-E400 PolarHBondContact NZ-OE1 3.12Å
215L97.4Very high96.4Very high0 Ų031.1 Ų31.10%017%0.174CC..Hα-helixtrans-66.2-37176.6-67.6179.2000112.1M175 Y198 H199 F200 L211 Y212 S217 C218 L219 L399M175-L215 HydrophobicContact CE-CB 4.37Å; M175-L215 HydrophobicContact SD-CB 3.6Å; M175-L215 HydrophobicContact SD-CD1 3.95Å; M175-L215 HydrophobicContact SD-CG 4.44Å; Y198-L215 HydrophobicContact CD1-CD2 4.02Å; Y198-L215 HydrophobicContact CG-CD2 4.11Å; H199-L215 VanDerWaalsContact O-CD1 3.27Å; H199-L215 WeakPolarHBondContact O-CD1 3.19Å; F200-L215 HydrophobicContact CB-CD1 3.96Å; F200-L215 HydrophobicContact CD2-CD1 4.18Å; L211-L215 HydrophobicContact CD1-CD1 4.15Å; L211-L215 HydrophobicContact CD1-CD2 4.37Å; L211-L215 HydrophobicContact CD1-CG 3.99Å; L211-L215 HydrophobicContact CG-CD1 3.97Å; L211-L215 HydrophobicContact CG-CG 4.22Å; L211-L215 WeakPolarHBondContact O-CB 3.39Å; L211-L215 VanDerWaalsContact O-CG 3.29Å; L211-L215 WeakPolarHBondContact O-CG 3.38Å; L211-L215 PolarHBondContact O-N 3.44Å; Y212-L215 PolarHBondContact O-N 2.9Å; L215-S217 VanDerWaalsContact C-N 3.33Å; L215-S217 PolarHBondContact O-N 3.09Å; L215-C218 PolarHBondContact O-N 3.04Å; L215-L219 PolarHBondContact O-N 3.33Å; L215-L399 VanDerWaalsContact CD2-O 3.24Å; L215-L399 WeakPolarHBondContact CD2-O 3.49Å
216T98.4Very high96.3Very high0 Ų035.1 Ų35.10%019%0.188CC..Hα-helixtrans-57.1-47.6172.2-57.70000110.9L162 M175 Y212 N213 L219 A220 C257 F261L162-T216 HydrophobicContact CD1-CG2 4.25Å; M175-T216 VanDerWaalsContact CE-OG1 3.27Å; M175-T216 WeakPolarHBondContact CE-OG1 3.38Å; Y212-T216 WeakPolarHBondContact O-CB 3.25Å; Y212-T216 PolarHBondContact O-N 3.49Å; Y212-T216 PolarHBondContact O-OG1 3.24Å; N213-T216 WeakPolarHBondContact O-CB 3.4Å; N213-T216 PolarHBondContact O-N 3.19Å; T216-L219 PolarHBondContact O-N 3.38Å; T216-A220 PolarHBondContact O-N 2.89Å; T216-C257 HydrophobicContact CG2-CB 3.99Å; T216-F261 HydrophobicContact CG2-CD2 4.27Å; T216-F261 HydrophobicContact CG2-CE2 3.92Å
217S98Very high96.4Very high43 Ų4333.5 Ų33.530%0.30117%0.17SC..Hα-helixtrans-63.9-41.1176.4-62.20000112.4N213 K214 L215 L219 A220 E221 H256N213-S217 PolarHBondContact O-N 3.34Å; N213-S217 PolarHBondContact O-OG 2.81Å; K214-S217 PolarHBondContact O-N 2.92Å; L215-S217 VanDerWaalsContact C-N 3.33Å; L215-S217 PolarHBondContact O-N 3.09Å; S217-L219 PolarHBondContact O-N 2.88Å; S217-A220 PolarHBondContact O-N 2.86Å; S217-E221 WeakPolarHBondContact O-CB 3.34Å; S217-E221 PolarHBondContact O-N 2.73Å; S217-H256 PolarHBondContact OG-CE1 3.09Å; S217-H256 VanDerWaalsContact OG-CE1 3.3Å; S217-H256 PolarHBondContact OG-NE2 3.26Å
218C96.6Very high96.4Very high4 Ų437.4 Ų37.43%0.02718%0.183CC..Hα-helixtrans-61.9-44.3176.9-64.80000111.7K214 L215 E221 V222K214-C218 PolarHBondContact O-N 3.07Å; K214-C218 PolarHBondContact O-SG 3.22Å; L215-C218 PolarHBondContact O-N 3.04Å; C218-E221 PolarHBondContact O-N 3.11Å; C218-V222 WeakPolarHBondContact O-CG2 3.39Å; C218-V222 PolarHBondContact O-N 2.72Å
219L97.4Very high96.5Very high2 Ų242.8 Ų42.81%0.0122%0.216CC..Hα-helixtrans-60.7-44.1175.3-83.5166.1000111.7L162 M175 A177 L196 Y198 L215 T216 S217 V222 F223 F261L162-L219 HydrophobicContact CD2-CD1 3.84Å; M175-L219 HydrophobicContact CB-CD1 3.66Å; M175-L219 HydrophobicContact CE-CD1 4.4Å; A177-L219 HydrophobicContact CB-CD2 4.07Å; L196-L219 HydrophobicContact CD2-CD2 3.84Å; L196-L219 HydrophobicContact CG-CD2 4.24Å; Y198-L219 HydrophobicContact CD2-CD1 4.25Å; Y198-L219 HydrophobicContact CD2-CD2 3.62Å; Y198-L219 HydrophobicContact CD2-CG 3.59Å; Y198-L219 HydrophobicContact CE2-CD2 3.64Å; Y198-L219 HydrophobicContact CE2-CG 3.73Å; L215-L219 PolarHBondContact O-N 3.33Å; T216-L219 PolarHBondContact O-N 3.38Å; S217-L219 PolarHBondContact O-N 2.88Å; L219-V222 PolarHBondContact O-N 2.79Å; L219-F223 VanDerWaalsContact O-CB 3.23Å; L219-F223 WeakPolarHBondContact O-CB 3.42Å; L219-F223 PolarHBondContact O-N 3.34Å; L219-F261 HydrophobicContact CB-CZ 3.95Å
220A98.3Very high96.5Very high2 Ų243.7 Ų43.72%0.01722%0.221CC..Hα-helixtrans-64.2-39.917900000112.6T216 S217 S224 A260 F261T216-A220 PolarHBondContact O-N 2.89Å; S217-A220 PolarHBondContact O-N 2.86Å; A220-S224 WeakPolarHBondContact O-CB 3.33Å; A220-S224 PolarHBondContact O-N 3.34Å; A220-S224 PolarHBondContact O-OG 2.78Å; A220-A260 HydrophobicContact CB-CB 4.17Å; A220-A260 VanDerWaalsContact CB-O 3.27Å; A220-A260 WeakPolarHBondContact CB-O 3.35Å; A220-F261 HydrophobicContact CB-CD1 3.89Å; A220-F261 HydrophobicContact CB-CD2 3.82Å; A220-F261 HydrophobicContact CB-CE1 3.87Å; A220-F261 HydrophobicContact CB-CE2 3.8Å; A220-F261 HydrophobicContact CB-CG 3.86Å; A220-F261 HydrophobicContact CB-CZ 3.82Å
221E97Very high96.6Very high87 Ų8744.9 Ų44.941%0.40722%0.224SC..Hα-helixtrans-63.7-51.1176.2-169.6-165.4144.700111.1S217 C218 F223 S224 Q225 R396S217-E221 WeakPolarHBondContact O-CB 3.34Å; S217-E221 PolarHBondContact O-N 2.73Å; C218-E221 PolarHBondContact O-N 3.11Å; E221-F223 VanDerWaalsContact C-N 3.31Å; E221-F223 PolarHBondContact O-N 3.46Å; E221-S224 PolarHBondContact O-N 3.13Å; E221-S224 VanDerWaalsContact O-N 3.13Å; E221-Q225 WeakPolarHBondContact O-CG 3.17Å; E221-Q225 PolarHBondContact O-N 3.48Å; E221-Q225 PolarHBondContact OE1-NE2 3.25Å; E221-R396 IonicContact OE1-CZ 3.34Å; E221-R396 IonicContact OE1-NH2 3.93Å; E221-R396 PolarHBondContact OE1-NH2 3.49Å; E221-R396 IonicContact OE2-NH2 3.71Å; E221-R396 PolarHBondContact OE2-NH2 2.7Å
222V96.4Very high96.6Very high33 Ų3351.4 Ų51.420%0.225%0.252CS..Hα-helixtrans-64.9-37.5179.6178.40000111.4L196 C218 L219 S224 Q225 R226L196-V222 HydrophobicContact CD2-CB 3.88Å; L196-V222 HydrophobicContact CD2-CG1 3.5Å; L196-V222 VanDerWaalsContact CD2-CG1 3.5Å; L196-V222 HydrophobicContact CD2-CG2 4.48Å; C218-V222 WeakPolarHBondContact O-CG2 3.39Å; C218-V222 PolarHBondContact O-N 2.72Å; L219-V222 PolarHBondContact O-N 2.79Å; V222-S224 VanDerWaalsContact C-N 3.35Å; V222-Q225 PolarHBondContact O-N 2.64Å; V222-R226 WeakPolarHBondContact O-CB 3.31Å; V222-R226 PolarHBondContact O-N 2.89Å
223F96.9Very high96.4Very high8 Ų851.1 Ų51.14%0.03525%0.251CS..Hα-helixtrans-61.3-43.6173.1172.9-108.3000111.7R128 T158 L219 E221 R226 C227 C238 F261R128-F223 HydrophobicContact CG-CE1 4.25Å; T158-F223 HydrophobicContact CG2-CD2 4.08Å; T158-F223 HydrophobicContact CG2-CE2 4.21Å; L219-F223 VanDerWaalsContact O-CB 3.23Å; L219-F223 WeakPolarHBondContact O-CB 3.42Å; L219-F223 PolarHBondContact O-N 3.34Å; E221-F223 VanDerWaalsContact C-N 3.31Å; E221-F223 PolarHBondContact O-N 3.46Å; F223-R226 WeakPolarHBondContact O-CB 3.41Å; F223-R226 PolarHBondContact O-N 2.83Å; F223-C227 WeakPolarHBondContact CZ-SG 3.21Å; F223-C227 PolarHBondContact O-N 2.84Å; F223-C227 PolarHBondContact O-SG 3.03Å; F223-C238 HydrophobicContact CE1-CB 4.05Å; F223-C238 HydrophobicContact CE2-CB 3.88Å; F223-C238 HydrophobicContact CZ-CB 3.55Å; F223-F261 HydrophobicContact CB-CE1 4.33Å; F223-F261 HydrophobicContact CD1-CD1 4.28Å; F223-F261 HydrophobicContact CD1-CE1 4.33Å; F223-F261 HydrophobicContact CG-CE1 4.5Å
224S96.8Very high96.4Very high28 Ų2850.1 Ų50.120%0.19625%0.247CC..Hα-helixtrans-65.4-44.9178.3-61.20000111.8R128 A220 E221 V222 R226 C227 E228R128-S224 PolarHBondContact NH2-OG 3.22Å; A220-S224 WeakPolarHBondContact O-CB 3.33Å; A220-S224 PolarHBondContact O-N 3.34Å; A220-S224 PolarHBondContact O-OG 2.78Å; E221-S224 PolarHBondContact O-N 3.13Å; E221-S224 VanDerWaalsContact O-N 3.13Å; V222-S224 VanDerWaalsContact C-N 3.35Å; S224-R226 VanDerWaalsContact C-N 3.3Å; S224-R226 PolarHBondContact O-N 3.31Å; S224-C227 WeakPolarHBondContact O-CA 3.34Å; S224-C227 WeakPolarHBondContact O-CB 3.23Å; S224-C227 PolarHBondContact O-N 3.49Å; S224-E228 PolarHBondContact O-N 3.18Å
225Q95.9Very high96.5Very high80 Ų8046.7 Ų46.737%0.37423%0.232SC..Hα-helixtrans-57.4-42.1173.2-71.5168.9-1.800111.9E221 V222 C227 E228 V229E221-Q225 WeakPolarHBondContact O-CG 3.17Å; E221-Q225 PolarHBondContact O-N 3.48Å; E221-Q225 PolarHBondContact OE1-NE2 3.25Å; V222-Q225 PolarHBondContact O-N 2.64Å; Q225-C227 VanDerWaalsContact C-N 3.3Å; Q225-C227 PolarHBondContact O-N 3.15Å; Q225-E228 PolarHBondContact O-N 2.97Å; Q225-V229 PolarHBondContact O-N 2.54Å
226R94.9Very high96.5Very high89 Ų8946.7 Ų46.734%0.33623%0.233SC..Hα-helixtrans-62-38.3174.3-179.4177.3178.11575.2112C179 V222 F223 S224 E228 V229 N230C179-R226 PolarHBondContact SG-NH2 2.8Å; V222-R226 WeakPolarHBondContact O-CB 3.31Å; V222-R226 PolarHBondContact O-N 2.89Å; F223-R226 WeakPolarHBondContact O-CB 3.41Å; F223-R226 PolarHBondContact O-N 2.83Å; S224-R226 VanDerWaalsContact C-N 3.3Å; S224-R226 PolarHBondContact O-N 3.31Å; R226-E228 VanDerWaalsContact C-N 3.33Å; R226-V229 PolarHBondContact O-N 3.43Å; R226-N230 VanDerWaalsContact O-CB 3.27Å; R226-N230 WeakPolarHBondContact O-CB 3.21Å; R226-N230 PolarHBondContact O-N 2.79Å
227C95.5Very high96.5Very high11 Ų1146.8 Ų46.87%0.07423%0.233CC..Hα-helixtrans-67.4-33178.4-67.40000112.3F223 S224 Q225 V229 S234F223-C227 WeakPolarHBondContact CZ-SG 3.21Å; F223-C227 PolarHBondContact O-N 2.84Å; F223-C227 PolarHBondContact O-SG 3.03Å; S224-C227 WeakPolarHBondContact O-CA 3.34Å; S224-C227 WeakPolarHBondContact O-CB 3.23Å; S224-C227 PolarHBondContact O-N 3.49Å; Q225-C227 VanDerWaalsContact C-N 3.3Å; Q225-C227 PolarHBondContact O-N 3.15Å; C227-V229 VanDerWaalsContact C-N 3.33Å; C227-V229 PolarHBondContact O-N 3.38Å; C227-S234 WeakPolarHBondContact O-CB 3.24Å
228E95.2Very high96.5Very high156 Ų15644.7 Ų44.773%0.72922%0.219SC*.Hα-helixtrans-63.1-39.1176.9-69.3169-173.100112.2S224 Q225 R226S224-E228 PolarHBondContact O-N 3.18Å; Q225-E228 PolarHBondContact O-N 2.97Å; R226-E228 VanDerWaalsContact C-N 3.33Å
229V95.8Very high96.6Very high129 Ų12944.5 Ų44.578%0.78222%0.218SC*.Hα-helixtrans-96.5-12.8-177.2-57.90000114.2Q225 R226 C227Q225-V229 PolarHBondContact O-N 2.54Å; R226-V229 PolarHBondContact O-N 3.43Å; C227-V229 VanDerWaalsContact C-N 3.33Å; C227-V229 PolarHBondContact O-N 3.38Å
230N95.6Very high96.7Very high58 Ų5844.4 Ų44.431%0.3122%0.217SC..  trans-129.196.8-177.9-171.5-32.4000111.6R226 K232 A233 S234R226-N230 VanDerWaalsContact O-CB 3.27Å; R226-N230 WeakPolarHBondContact O-CB 3.21Å; R226-N230 PolarHBondContact O-N 2.79Å; N230-K232 VanDerWaalsContact C-N 3.3Å; N230-K232 PolarHBondContact O-N 2.89Å; N230-K232 PolarHBondContact OD1-N 2.95Å; N230-K232 VanDerWaalsContact OD1-N 3.15Å; N230-A233 HydrophobicContact CB-CB 4.03Å; N230-A233 PolarHBondContact O-N 3.03Å; N230-A233 VanDerWaalsContact O-N 3.16Å; N230-A233 PolarHBondContact OD1-N 2.86Å; N230-S234 PolarHBondContact O-N 2.9Å
231R95.5Very high96.7Very high91 Ų9144.4 Ų44.434%0.34322%0.217SC..Hα-helixtrans-56.5-39.9-180-174.366.7-176.9159.116113.4A119 N123 E124 S234 V235A119-R231 PolarHBondContact O-NH2 3.39Å; N123-R231 VanDerWaalsContact C-NH1 3.29Å; N123-R231 VanDerWaalsContact CA-NH2 3.26Å; N123-R231 PolarHBondContact O-NH1 2.81Å; N123-R231 PolarHBondContact OD1-NE 3.48Å; N123-R231 PolarHBondContact OD1-NH1 3.2Å; N123-R231 VanDerWaalsContact OD1-NH1 3.13Å; E124-R231 PolarHBondContact O-NH1 2.89Å; E124-R231 PolarHBondContact O-NH2 2.95Å; R231-S234 PolarHBondContact O-N 3.04Å; R231-V235 HydrophobicContact CG-CG2 4.38Å; R231-V235 WeakPolarHBondContact O-CG2 3.49Å; R231-V235 PolarHBondContact O-N 3.42Å
232K95Very high96.8Very high139 Ų13940.3 Ų40.360%0.60420%0.198SC*.Hα-helixtrans-65.8-39.7-179.7-68.6-174180-179.80111.7N230 G236N230-K232 VanDerWaalsContact C-N 3.3Å; N230-K232 PolarHBondContact O-N 2.89Å; N230-K232 PolarHBondContact OD1-N 2.95Å; N230-K232 VanDerWaalsContact OD1-N 3.15Å; K232-G236 PolarHBondContact O-N 2.69Å
233A94.2Very high96.7Very high1 Ų139.2 Ų39.21%0.00819%0.192CC..Hα-helixtrans-69.2-42.5174.600000111.2N230 G236 G237N230-A233 HydrophobicContact CB-CB 4.03Å; N230-A233 PolarHBondContact O-N 3.03Å; N230-A233 VanDerWaalsContact O-N 3.16Å; N230-A233 PolarHBondContact OD1-N 2.86Å; A233-G236 PolarHBondContact O-N 2.82Å; A233-G237 PolarHBondContact O-N 2.85Å
234S97.5Very high96.7Very high14 Ų1439.6 Ų39.610%0.09820%0.198CC..Hα-helixtrans-57.6-54.1177.3-1730000112.3G126 C227 N230 R231 G236 G237G126-S234 WeakPolarHBondContact CA-O 3.08Å; G126-S234 PolarHBondContact N-O 3.34Å; C227-S234 WeakPolarHBondContact O-CB 3.24Å; N230-S234 PolarHBondContact O-N 2.9Å; R231-S234 PolarHBondContact O-N 3.04Å; S234-G236 VanDerWaalsContact C-N 3.31Å; S234-G236 PolarHBondContact O-N 2.84Å; S234-G237 PolarHBondContact O-N 3.07Å
235V97.9Very high96.7Very high5 Ų542.5 Ų42.53%0.0320%0.204CC..Hα-helixtrans-68.1-31.3177.3174.90000111.7R116 E120 G126 R231 G237R116-V235 HydrophobicContact CB-CG1 4.5Å; R116-V235 WeakPolarHBondContact CG-O 3.3Å; E120-V235 HydrophobicContact CB-CG1 3.91Å; E120-V235 HydrophobicContact CG-CG1 4.42Å; G126-V235 WeakPolarHBondContact CA-O 3.46Å; R231-V235 HydrophobicContact CG-CG2 4.38Å; R231-V235 WeakPolarHBondContact O-CG2 3.49Å; R231-V235 PolarHBondContact O-N 3.42Å; V235-G237 PolarHBondContact O-N 3.36Å
236G97.7Very high96.7Very high1 Ų139.3 Ų39.31%0.0119%0.19CC..Hα-helixtrans-61-33.6174.800000113R116 K232 A233 S234R116-G236 PolarHBondContact NE-O 3.39Å; K232-G236 PolarHBondContact O-N 2.69Å; A233-G236 PolarHBondContact O-N 2.82Å; S234-G236 VanDerWaalsContact C-N 3.31Å; S234-G236 PolarHBondContact O-N 2.84Å
237G98.4Very high96.7Very high1 Ų141.7 Ų41.71%0.0120%0.203CC..  trans70.7-161.6-176.600000112.4P127 P157 T158 A233 S234 V235P127-G237 VanDerWaalsContact O-CA 3.29Å; P127-G237 WeakPolarHBondContact O-CA 3.47Å; P157-G237 WeakPolarHBondContact CA-O 3.49Å; T158-G237 PolarHBondContact N-O 3.04Å; A233-G237 PolarHBondContact O-N 2.85Å; S234-G237 PolarHBondContact O-N 3.07Å; V235-G237 PolarHBondContact O-N 3.36Å
238C98.8Very high96.8Very high0 Ų043.8 Ų43.80%023%0.227CC..EExtended strand (participates in β ladder)trans-137.1155.9176.265.30000113.1P127 V129 T158 V160 F223P127-C238 PolarHBondContact O-N 2.99Å; V129-C238 PolarHBondContact N-O 3.42Å; T158-C238 CarbonylContact O-C 3.59Å; T158-C238 WeakPolarHBondContact O-CA 3.29Å; T158-C238 VanDerWaalsContact O-CB 3.26Å; T158-C238 WeakPolarHBondContact O-CB 3.27Å; V160-C238 HydrophobicContact CG2-CB 4.22Å; F223-C238 HydrophobicContact CE1-CB 4.05Å; F223-C238 HydrophobicContact CE2-CB 3.88Å; F223-C238 HydrophobicContact CZ-CB 3.55Å
239I98.9Very high96.8Very high0 Ų039.3 Ų39.30%021%0.213CC..EExtended strand (participates in β ladder)trans-120.6120.3169.3-66.5171000106.9V129 V131 C143 L146 L147 T158 L159 V160V129-I239 HydrophobicContact CB-CG1 4.32Å; V129-I239 CarbonylContact O-C 3.58Å; V129-I239 WeakPolarHBondContact O-CA 3.31Å; V131-I239 HydrophobicContact CG2-CG2 4.2Å; C143-I239 HydrophobicContact CB-CG2 3.94Å; L146-I239 HydrophobicContact CB-CD1 3.54Å; L147-I239 HydrophobicContact CD2-CB 4.1Å; L147-I239 HydrophobicContact CD2-CD1 3.76Å; L147-I239 HydrophobicContact CD2-CG1 4.23Å; L147-I239 HydrophobicContact CG-CB 4.29Å; L147-I239 HydrophobicContact CG-CD1 3.75Å; T158-I239 PolarHBondContact O-N 2.77Å; L159-I239 WeakPolarHBondContact CA-O 2.93Å; V160-I239 PolarHBondContact N-O 3.06Å
240I98.9Very high96.9Very high0 Ų033.2 Ų33.20%018%0.177CC..EExtended strand (participates in β ladder)trans-105.5110.7-173.2-51.6162.6000108.3V129 M130 V131 V160 L162 T242 F261 V263V129-I240 PolarHBondContact O-N 2.85Å; M130-I240 HydrophobicContact CB-CD1 4.48Å; M130-I240 HydrophobicContact CG-CB 4.41Å; V131-I240 PolarHBondContact N-O 3.41Å; V160-I240 HydrophobicContact CB-CB 4.27Å; V160-I240 HydrophobicContact CB-CG1 3.97Å; V160-I240 HydrophobicContact CB-CG2 4.18Å; V160-I240 HydrophobicContact CG1-CG1 4.47Å; V160-I240 HydrophobicContact CG1-CG2 4.08Å; V160-I240 HydrophobicContact CG2-CG1 4.28Å; V160-I240 CarbonylContact O-C 3.55Å; V160-I240 WeakPolarHBondContact O-CA 3.36Å; L162-I240 HydrophobicContact CD1-CG2 3.47Å; L162-I240 VanDerWaalsContact CD1-CG2 3.47Å; L162-I240 HydrophobicContact CG-CG2 3.87Å; I240-T242 HydrophobicContact CG2-CG2 4.43Å; I240-F261 HydrophobicContact CD1-CB 3.66Å; I240-F261 HydrophobicContact CD1-CD1 3.87Å; I240-F261 HydrophobicContact CD1-CD2 3.98Å; I240-F261 HydrophobicContact CD1-CG 3.55Å; I240-F261 HydrophobicContact CG1-CD1 4.49Å; I240-V263 HydrophobicContact CD1-CG1 3.85Å
241N98.7Very high97Very high1 Ų131.3 Ų31.31%0.00517%0.165CC..EExtended strand (participates in β ladder)trans-85.6128.1170.9-174.137000109.3K139 S140 L159 V160 E161 L162K139-N241 WeakPolarHBondContact CB-OD1 3.32Å; S140-N241 PolarHBondContact OG-ND2 3.05Å; S140-N241 VanDerWaalsContact OG-ND2 3.13Å; L159-N241 HydrophobicContact CD1-CB 4.44Å; V160-N241 PolarHBondContact O-N 3.27Å; E161-N241 WeakPolarHBondContact OE1-CB 3.46Å; E161-N241 PolarHBondContact OE1-ND2 2.97Å; E161-N241 PolarHBondContact OE2-ND2 3.4Å; L162-N241 WeakPolarHBondContact CB-O 3.34Å; L162-N241 PolarHBondContact N-O 3.34Å
242T98Very high97.1Very high1 Ų132.4 Ų32.41%0.00617%0.174CC..  trans-108.9161.7-179.573.70000112.1M130 V131 V132 K139 I240 L254M130-T242 HydrophobicContact CG-CG2 3.9Å; M130-T242 HydrophobicContact SD-CG2 4.32Å; V131-T242 PolarHBondContact O-OG1 2.76Å; V131-T242 VanDerWaalsContact O-OG1 3.07Å; V132-T242 HydrophobicContact CG1-CG2 4.09Å; K139-T242 WeakPolarHBondContact CE-O 3.41Å; I240-T242 HydrophobicContact CG2-CG2 4.43Å; T242-L254 HydrophobicContact CG2-CD2 3.91Å
243C95.5Very high97.3Very high11 Ų1126.1 Ų26.17%0.07415%0.148CC..  trans-66.9166.6168.775.80000112D163 P205 W245D163-C243 HydrophobicContact CB-CB 4.33Å; P205-C243 HydrophobicContact CG-CB 4.37Å; C243-W245 VanDerWaalsContact C-N 3.28Å; C243-W245 PolarHBondContact O-N 3.02Å
244G96.1Very high97.5Very high16 Ų1626.3 Ų26.317%0.16515%0.149CC..SBendtrans-80.59.7179.800000116.2V246G244-V246 PolarHBondContact O-N 3.22Å
245W96.4Very high97.5Very high88 Ų8827.4 Ų27.433%0.33316%0.155SC..  trans-89.795.2-176.8-17225.8000111.6P205 I209 C243 K247 G250P205-W245 HydrophobicContact CB-CE3 4.11Å; P205-W245 HydrophobicContact CB-CZ3 4.22Å; I209-W245 HydrophobicContact CD1-CZ3 3.96Å; C243-W245 VanDerWaalsContact C-N 3.28Å; C243-W245 PolarHBondContact O-N 3.02Å; W245-K247 PolarHBondContact NE1-O 2.68Å; W245-G250 CarbonylContact O-C 3.59Å; W245-G250 VanDerWaalsContact O-C 3.29Å; W245-G250 VanDerWaalsContact O-CA 3.25Å; W245-G250 WeakPolarHBondContact O-CA 3.35Å
246V96.6Very high97.6Very high13 Ų1329.9 Ų29.98%0.07917%0.166CC..  trans-104.46.3-169.1-58.50000115.1G133 P134 G244 L254 L274G133-V246 VanDerWaalsContact C-CG1 3.46Å; G133-V246 WeakPolarHBondContact O-CG1 3.47Å; P134-V246 HydrophobicContact CB-CG2 4.5Å; G244-V246 PolarHBondContact O-N 3.22Å; V246-L254 HydrophobicContact CG1-CD1 4.38Å; V246-L274 HydrophobicContact CB-CD1 4.34Å; V246-L274 HydrophobicContact CB-CD2 3.96Å; V246-L274 HydrophobicContact CG1-CD2 3.72Å
247K95.2Very high97.6Very high139 Ų13930 Ų3060%0.60417%0.166SC*.SBendtrans-124154.1-175.4-64.6-176.7-179.4176.20111.1W245 S249 G250W245-K247 PolarHBondContact NE1-O 2.68Å; K247-S249 PolarHBondContact O-N 3.25Å; K247-G250 PolarHBondContact O-N 3Å
248G96.6Very high97.6Very high56 Ų5630.1 Ų30.158%0.57717%0.168SC*.THydrogen-bonded Turntrans57.1-128.4174.500000111.9G250 Y251 Q252G248-G250 PolarHBondContact O-N 2.83Å; G248-Y251 WeakPolarHBondContact O-CB 3.46Å; G248-Y251 PolarHBondContact O-N 2.87Å; G248-Q252 PolarHBondContact O-N 3.13Å
249S96.2Very high97.6Very high61 Ų6134.5 Ų34.543%0.42720%0.198SC..Hα-helixtrans-61-27.1177.8-44.30000113.4K247 Q252 A253K247-S249 PolarHBondContact O-N 3.25Å; S249-Q252 PolarHBondContact O-N 2.85Å; S249-A253 PolarHBondContact O-N 3.27Å
250G96.8Very high97.6Very high2 Ų235.7 Ų35.72%0.02121%0.208CC..Hα-helixtrans-64.6-41.8172.800000112.4W245 K247 G248 Q252 A253 L254W245-G250 CarbonylContact O-C 3.59Å; W245-G250 VanDerWaalsContact O-C 3.29Å; W245-G250 VanDerWaalsContact O-CA 3.25Å; W245-G250 WeakPolarHBondContact O-CA 3.35Å; K247-G250 PolarHBondContact O-N 3Å; G248-G250 PolarHBondContact O-N 2.83Å; G250-Q252 PolarHBondContact O-N 2.83Å; G250-A253 WeakPolarHBondContact O-CB 3.22Å; G250-A253 PolarHBondContact O-N 2.86Å; G250-L254 WeakPolarHBondContact O-CG 3.18Å; G250-L254 PolarHBondContact O-N 3.34Å; G250-L254 VanDerWaalsContact O-N 3.08Å
251Y98.3Very high97.6Very high17 Ų1735.7 Ų35.77%0.06721%0.208CC..Hα-helixtrans-61.4-44.5173177.1-100.9000111.7G248 A253 L254 V255 L274 E277 L278 D281G248-Y251 WeakPolarHBondContact O-CB 3.46Å; G248-Y251 PolarHBondContact O-N 2.87Å; Y251-A253 VanDerWaalsContact C-N 3.26Å; Y251-A253 PolarHBondContact O-N 2.98Å; Y251-L254 WeakPolarHBondContact O-CB 3.48Å; Y251-L254 PolarHBondContact O-N 3.13Å; Y251-V255 HydrophobicContact CD1-CG2 4.3Å; Y251-V255 HydrophobicContact CE1-CG2 3.82Å; Y251-V255 HydrophobicContact CE2-CG2 4.43Å; Y251-V255 PolarHBondContact O-N 2.98Å; Y251-L274 HydrophobicContact CD2-CD1 3.82Å; Y251-L274 HydrophobicContact CE2-CD1 4.04Å; Y251-E277 HydrophobicContact CE2-CB 3.83Å; Y251-E277 VanDerWaalsContact OH-C 3.27Å; Y251-E277 PolarHBondContact OH-O 3.45Å; Y251-L278 HydrophobicContact CE2-CD2 3.75Å; Y251-L278 HydrophobicContact CE2-CG 4.04Å; Y251-D281 WeakPolarHBondContact OH-CB 3.02Å; Y251-D281 VanDerWaalsContact OH-CG 3.25Å; Y251-D281 PolarHBondContact OH-OD2 2.94Å
252Q98.2Very high97.6Very high115 Ų11540.5 Ų40.554%0.53723%0.23SC..Hα-helixtrans-61.3-36.1176.9-61.3-58.7-34.500112.1G248 S249 G250 V255 H256G248-Q252 PolarHBondContact O-N 3.13Å; S249-Q252 PolarHBondContact O-N 2.85Å; G250-Q252 PolarHBondContact O-N 2.83Å; Q252-V255 PolarHBondContact O-N 2.89Å; Q252-H256 WeakPolarHBondContact O-CB 3.49Å; Q252-H256 PolarHBondContact O-N 2.53Å
253A98.3Very high97.6Very high6 Ų640.5 Ų40.55%0.0523%0.23CC..Hα-helixtrans-66.7-34.5173.500000112.9I209 Y212 S249 G250 Y251 H256 C257I209-A253 HydrophobicContact CD1-CB 3.97Å; Y212-A253 HydrophobicContact CD1-CB 4.18Å; Y212-A253 HydrophobicContact CE1-CB 4.08Å; S249-A253 PolarHBondContact O-N 3.27Å; G250-A253 WeakPolarHBondContact O-CB 3.22Å; G250-A253 PolarHBondContact O-N 2.86Å; Y251-A253 VanDerWaalsContact C-N 3.26Å; Y251-A253 PolarHBondContact O-N 2.98Å; A253-H256 PolarHBondContact O-N 3.45Å; A253-C257 VanDerWaalsContact O-CB 3.3Å; A253-C257 WeakPolarHBondContact O-CB 3.35Å; A253-C257 PolarHBondContact O-N 3.12Å
254L98.6Very high97.7Very high6 Ų641.3 Ų41.33%0.03123%0.234CC..Hα-helixtrans-64.8-43.2172.8-62.8178.4000111.6V132 T242 V246 G250 Y251 C257 A258 L274V132-L254 HydrophobicContact CB-CD1 4.3Å; V132-L254 HydrophobicContact CG1-CD1 4.28Å; V132-L254 HydrophobicContact CG1-CD2 3.85Å; T242-L254 HydrophobicContact CG2-CD2 3.91Å; V246-L254 HydrophobicContact CG1-CD1 4.38Å; G250-L254 WeakPolarHBondContact O-CG 3.18Å; G250-L254 PolarHBondContact O-N 3.34Å; G250-L254 VanDerWaalsContact O-N 3.08Å; Y251-L254 WeakPolarHBondContact O-CB 3.48Å; Y251-L254 PolarHBondContact O-N 3.13Å; L254-C257 PolarHBondContact O-N 3.12Å; L254-A258 WeakPolarHBondContact O-CB 3.14Å; L254-A258 PolarHBondContact O-N 3.5Å; L254-L274 HydrophobicContact CD1-CD1 4.17Å; L254-L274 HydrophobicContact CD1-CD2 4.49Å
255V98.6Very high97.9Very high37 Ų3741 Ų4122%0.22423%0.229CC..Hα-helixtrans-64.7-43.4175.91770000110.8Y251 Q252 C257 A258 S259 L278Y251-V255 HydrophobicContact CD1-CG2 4.3Å; Y251-V255 HydrophobicContact CE1-CG2 3.82Å; Y251-V255 HydrophobicContact CE2-CG2 4.43Å; Y251-V255 PolarHBondContact O-N 2.98Å; Q252-V255 PolarHBondContact O-N 2.89Å; V255-C257 PolarHBondContact O-N 3.11Å; V255-A258 PolarHBondContact O-N 2.83Å; V255-S259 PolarHBondContact O-N 3.11Å; V255-L278 HydrophobicContact CG2-CD2 4.42Å
256H98.6Very high98Very high57 Ų5736.8 Ų36.826%0.26421%0.213SC..Hα-helixtrans-58.6-45.9173.7179.378.4000111.7N213 S217 Q252 A253 S259 A260N213-H256 PolarHBondContact O-NE2 2.85Å; S217-H256 PolarHBondContact OG-CE1 3.09Å; S217-H256 VanDerWaalsContact OG-CE1 3.3Å; S217-H256 PolarHBondContact OG-NE2 3.26Å; Q252-H256 WeakPolarHBondContact O-CB 3.49Å; Q252-H256 PolarHBondContact O-N 2.53Å; A253-H256 PolarHBondContact O-N 3.45Å; H256-S259 PolarHBondContact O-N 2.96Å; H256-A260 VanDerWaalsContact O-CB 3.28Å; H256-A260 WeakPolarHBondContact O-CB 3.43Å; H256-A260 PolarHBondContact O-N 2.84Å
257C98.6Very high98.1Very high2 Ų236.1 Ų36.11%0.01421%0.209CC..Hα-helixtrans-60-46.8176178.40000111.8M130 L162 T216 A253 L254 V255 S259 A260 F261M130-C257 HydrophobicContact SD-CB 4.04Å; L162-C257 HydrophobicContact CD1-CB 4.35Å; L162-C257 WeakPolarHBondContact CD1-SG 3.5Å; T216-C257 HydrophobicContact CG2-CB 3.99Å; A253-C257 VanDerWaalsContact O-CB 3.3Å; A253-C257 WeakPolarHBondContact O-CB 3.35Å; A253-C257 PolarHBondContact O-N 3.12Å; L254-C257 PolarHBondContact O-N 3.12Å; V255-C257 PolarHBondContact O-N 3.11Å; C257-S259 VanDerWaalsContact C-N 3.28Å; C257-S259 PolarHBondContact O-N 2.97Å; C257-A260 PolarHBondContact O-N 2.74Å; C257-F261 WeakPolarHBondContact O-CB 3.06Å; C257-F261 PolarHBondContact O-N 2.73Å
258A98.7Very high98.3Very high5 Ų529.5 Ų29.54%0.04118%0.18CC..Hα-helixtrans-57.4-43.2177.600000111.8M130 L254 V255 E262 V263 L282M130-A258 HydrophobicContact CE-CB 3.86Å; M130-A258 HydrophobicContact SD-CB 4.37Å; L254-A258 WeakPolarHBondContact O-CB 3.14Å; L254-A258 PolarHBondContact O-N 3.5Å; V255-A258 PolarHBondContact O-N 2.83Å; A258-E262 PolarHBondContact O-N 2.95Å; A258-E262 VanDerWaalsContact O-N 3.17Å; A258-V263 HydrophobicContact CB-CG2 3.57Å; A258-V263 PolarHBondContact O-N 3.1Å; A258-L282 HydrophobicContact CB-CD2 3.65Å
259S98.6Very high98.3Very high91 Ų9126.9 Ų26.964%0.63615%0.153SC*.Hα-helixtrans-68.8-49176.4-172.80000112.3V255 H256 C257 F261 E262V255-S259 PolarHBondContact O-N 3.11Å; H256-S259 PolarHBondContact O-N 2.96Å; C257-S259 VanDerWaalsContact C-N 3.28Å; C257-S259 PolarHBondContact O-N 2.97Å; S259-F261 VanDerWaalsContact C-N 3.34Å; S259-F261 PolarHBondContact O-N 2.65Å; S259-E262 PolarHBondContact O-N 2.91Å; S259-E262 VanDerWaalsContact O-N 3.12Å
260A98.5Very high98.2Very high26 Ų2627 Ų2722%0.21515%0.149CC..Hα-helixtrans-63.6-40.4-174.900000112A220 H256 C257 E262A220-A260 HydrophobicContact CB-CB 4.17Å; A220-A260 VanDerWaalsContact CB-O 3.27Å; A220-A260 WeakPolarHBondContact CB-O 3.35Å; H256-A260 VanDerWaalsContact O-CB 3.28Å; H256-A260 WeakPolarHBondContact O-CB 3.43Å; H256-A260 PolarHBondContact O-N 2.84Å; C257-A260 PolarHBondContact O-N 2.74Å; A260-E262 VanDerWaalsContact C-N 3.35Å
261F98.6Very high98.1Very high0 Ų029.6 Ų29.60%016%0.16CC..THydrogen-bonded Turntrans-85.2-3.1176.4-81.7-86.7000113.6R128 V160 T216 L219 A220 F223 I240 C257 S259 V263R128-F261 WeakPolarHBondContact CD-O 3.44Å; R128-F261 PolarHBondContact NH1-O 3.35Å; V160-F261 HydrophobicContact CB-CZ 4.47Å; V160-F261 HydrophobicContact CG1-CE1 4.18Å; V160-F261 HydrophobicContact CG1-CE2 4.26Å; V160-F261 HydrophobicContact CG1-CZ 3.62Å; V160-F261 HydrophobicContact CG2-CE1 3.89Å; V160-F261 HydrophobicContact CG2-CZ 4.19Å; T216-F261 HydrophobicContact CG2-CD2 4.27Å; T216-F261 HydrophobicContact CG2-CE2 3.92Å; L219-F261 HydrophobicContact CB-CZ 3.95Å; A220-F261 HydrophobicContact CB-CD1 3.89Å; A220-F261 HydrophobicContact CB-CD2 3.82Å; A220-F261 HydrophobicContact CB-CE1 3.87Å; A220-F261 HydrophobicContact CB-CE2 3.8Å; A220-F261 HydrophobicContact CB-CG 3.86Å; A220-F261 HydrophobicContact CB-CZ 3.82Å; F223-F261 HydrophobicContact CB-CE1 4.33Å; F223-F261 HydrophobicContact CD1-CD1 4.28Å; F223-F261 HydrophobicContact CD1-CE1 4.33Å; F223-F261 HydrophobicContact CG-CE1 4.5Å; I240-F261 HydrophobicContact CD1-CB 3.66Å; I240-F261 HydrophobicContact CD1-CD1 3.87Å; I240-F261 HydrophobicContact CD1-CD2 3.98Å; I240-F261 HydrophobicContact CD1-CG 3.55Å; I240-F261 HydrophobicContact CG1-CD1 4.49Å; C257-F261 WeakPolarHBondContact O-CB 3.06Å; C257-F261 PolarHBondContact O-N 2.73Å; S259-F261 VanDerWaalsContact C-N 3.34Å; S259-F261 PolarHBondContact O-N 2.65Å; F261-V263 VanDerWaalsContact C-N 3.33Å; F261-V263 HydrophobicContact CB-CG1 3.79Å; F261-V263 PolarHBondContact O-N 3.4Å
262E98.2Very high98Very high101 Ų10135.5 Ų35.547%0.47219%0.189SC..THydrogen-bonded Turntrans48.854.9-174.3-58175.3-167.600111.7R125 A258 S259 A260R125-E262 IonicContact CZ-OE2 3.18Å; R125-E262 IonicContact NH1-OE2 3.63Å; R125-E262 IonicContact NH2-OE2 3.22Å; A258-E262 PolarHBondContact O-N 2.95Å; A258-E262 VanDerWaalsContact O-N 3.17Å; S259-E262 PolarHBondContact O-N 2.91Å; S259-E262 VanDerWaalsContact O-N 3.12Å; A260-E262 VanDerWaalsContact C-N 3.35Å
263V98.6Very high97.9Very high1 Ų137.7 Ų37.71%0.00619%0.192CC..  trans-68138-171.7-57.40000111.5M130 I240 A258 F261 V266 V286M130-V263 HydrophobicContact CB-CG1 4.11Å; I240-V263 HydrophobicContact CD1-CG1 3.85Å; A258-V263 HydrophobicContact CB-CG2 3.57Å; A258-V263 PolarHBondContact O-N 3.1Å; F261-V263 VanDerWaalsContact C-N 3.33Å; F261-V263 HydrophobicContact CB-CG1 3.79Å; F261-V263 PolarHBondContact O-N 3.4Å; V263-V266 HydrophobicContact CG2-CG2 3.88Å; V263-V286 HydrophobicContact CG2-CG1 4.1Å; V263-V286 WeakPolarHBondContact O-CG2 3.24Å
264D98.6Very high97.9Very high29 Ų2937.5 Ų37.516%0.15519%0.19CC..SBendtrans-94.1-28.7178.1-48.6-71.5000111.3M115 R125 P127 R128 R287M115-D264 HydrophobicContact CE-CB 3.87Å; R125-D264 IonicContact NH2-OD1 3.88Å; R125-D264 PolarHBondContact NH2-OD1 2.91Å; P127-D264 WeakPolarHBondContact CA-OD2 3.33Å; R128-D264 PolarHBondContact N-OD2 3.46Å; R128-D264 PolarHBondContact O-N 3.08Å; D264-R287 PolarHBondContact O-N 2.83Å
265V98.9Very high97.9Very high8 Ų839.3 Ų39.35%0.04820%0.197CC..EExtended strand (participates in β ladder)trans-136.7134-175.4-174.80000110.4L112 M115 R128 V129 M130 L267 R287L112-V265 HydrophobicContact CD2-CB 4.49Å; L112-V265 HydrophobicContact CD2-CG2 4.04Å; M115-V265 HydrophobicContact CE-CG2 4Å; M115-V265 HydrophobicContact SD-CG2 3.92Å; R128-V265 PolarHBondContact O-N 3.47Å; V129-V265 CarbonylContact C-O 3.56Å; V129-V265 WeakPolarHBondContact CA-O 3.35Å; V129-V265 HydrophobicContact CG1-CB 4.28Å; V129-V265 HydrophobicContact CG1-CG1 4.34Å; V129-V265 HydrophobicContact CG2-CB 4.33Å; M130-V265 PolarHBondContact N-O 3.06Å; V265-L267 HydrophobicContact CG1-CD2 3.74Å; V265-L267 HydrophobicContact CG1-CG 4.35Å; V265-R287 CarbonylContact C-O 3.57Å; V265-R287 WeakPolarHBondContact CA-O 3.46Å; V265-R287 HydrophobicContact CG2-CB 4.35Å
266V98.9Very high97.9Very high0 Ų042.1 Ų42.10%021%0.211CC..EExtended strand (participates in β ladder)trans-119.5118.5171.5-176.70000109.5M130 V132 V263 V268 L278 L282 V286 R287 V288 V289M130-V266 HydrophobicContact CB-CG2 4.36Å; M130-V266 HydrophobicContact CE-CB 4.45Å; M130-V266 HydrophobicContact CE-CG1 3.81Å; M130-V266 HydrophobicContact CE-CG2 3.76Å; M130-V266 CarbonylContact O-C 3.47Å; M130-V266 WeakPolarHBondContact O-CA 3.24Å; V132-V266 HydrophobicContact CG1-CG1 4.32Å; V132-V266 HydrophobicContact CG2-CG1 3.76Å; V263-V266 HydrophobicContact CG2-CG2 3.88Å; V266-V268 HydrophobicContact CG1-CG2 4.19Å; V266-L278 HydrophobicContact CG1-CD1 4.08Å; V266-L282 HydrophobicContact CG2-CD1 3.76Å; V266-V286 HydrophobicContact CG2-CG1 3.77Å; V266-R287 PolarHBondContact N-O 2.79Å; V266-V288 HydrophobicContact CB-CG1 4.48Å; V266-V288 HydrophobicContact CB-CG2 4.46Å; V266-V288 WeakPolarHBondContact O-CA 3.09Å; V266-V289 PolarHBondContact O-N 3.08Å
267L98.8Very high97.9Very high0 Ų041.4 Ų41.40%021%0.207CC..EExtended strand (participates in β ladder)trans-97.1110.6175.8-54-177000108.8T108 V129 M130 V131 V132 L146 V265 V289 L291T108-L267 HydrophobicContact CG2-CD1 3.81Å; T108-L267 HydrophobicContact CG2-CD2 3.88Å; V129-L267 HydrophobicContact CG1-CD1 3.85Å; V129-L267 HydrophobicContact CG1-CG 3.87Å; M130-L267 PolarHBondContact O-N 3.45Å; V131-L267 WeakPolarHBondContact CA-O 3.43Å; V131-L267 HydrophobicContact CG2-CB 4.39Å; V131-L267 HydrophobicContact CG2-CD1 4.23Å; V132-L267 PolarHBondContact N-O 2.9Å; L146-L267 HydrophobicContact CD1-CD1 3.63Å; V265-L267 HydrophobicContact CG1-CD2 3.74Å; V265-L267 HydrophobicContact CG1-CG 4.35Å; L267-V289 HydrophobicContact CD2-CB 3.96Å; L267-V289 HydrophobicContact CD2-CG2 4.38Å; L267-L291 HydrophobicContact CB-CD1 4.22Å; L267-L291 HydrophobicContact CD1-CD1 4.25Å; L267-L291 HydrophobicContact CD2-CD1 4.25Å; L267-L291 HydrophobicContact CG-CD1 4.47Å
268V98.7Very high97.8Very high0 Ų041.3 Ų41.30%021%0.207CC..EExtended strand (participates in β ladder)trans-96.1117.3178.2-173.20000108.6V132 V266 Q271 L274 Y275 L278 V288 V289 L290 L291V132-V268 HydrophobicContact CG2-CB 4.18Å; V132-V268 HydrophobicContact CG2-CG1 4.31Å; V132-V268 HydrophobicContact CG2-CG2 3.72Å; V132-V268 WeakPolarHBondContact O-CA 3.48Å; V266-V268 HydrophobicContact CG1-CG2 4.19Å; V268-Q271 HydrophobicContact CG1-CB 4.35Å; V268-Q271 WeakPolarHBondContact CG1-O 3.43Å; V268-L274 HydrophobicContact CG1-CB 4.27Å; V268-L274 HydrophobicContact CG1-CD2 4.12Å; V268-L274 HydrophobicContact CG1-CG 4.2Å; V268-Y275 HydrophobicContact CG2-CD2 4.38Å; V268-L278 HydrophobicContact CG2-CD1 4.03Å; V268-V288 HydrophobicContact CG2-CG1 3.81Å; V268-V289 PolarHBondContact N-O 3.06Å; V268-L290 HydrophobicContact CB-CD1 4.28Å; V268-L290 HydrophobicContact CG1-CD1 4.19Å; V268-L291 PolarHBondContact O-N 3.21Å
269L98.2Very high97.8Very high0 Ų046.5 Ų46.50%023%0.228CC..EExtended strand (participates in β ladder)trans-93.9119.9178.5-59.5-166.9000111.1V131 V132 V137 K139 V142 Q271 L291V131-L269 HydrophobicContact CG1-CD1 4.13Å; V131-L269 HydrophobicContact CG1-CG 4.21Å; V132-L269 PolarHBondContact O-N 2.56Å; V137-L269 HydrophobicContact CB-CB 4.01Å; V137-L269 HydrophobicContact CG2-CB 3.59Å; V137-L269 HydrophobicContact CG2-CD1 4.21Å; V137-L269 HydrophobicContact CG2-CG 4.48Å; V137-L269 WeakPolarHBondContact O-CD1 3.42Å; K139-L269 HydrophobicContact CB-CD1 4.34Å; K139-L269 HydrophobicContact CG-CD1 3.9Å; K139-L269 HydrophobicContact CG-CG 4.5Å; V142-L269 HydrophobicContact CB-CD1 4.29Å; V142-L269 HydrophobicContact CG2-CD1 3.86Å; V142-L269 HydrophobicContact CG2-CD2 4.43Å; L269-Q271 VanDerWaalsContact C-N 3.31Å; L269-Q271 PolarHBondContact O-N 3.24Å; L269-L291 WeakPolarHBondContact CA-O 3.22Å; L269-L291 HydrophobicContact CD2-CB 3.67Å; L269-L291 HydrophobicContact CD2-CD1 4.05Å; L269-L291 HydrophobicContact CD2-CG 4.43Å
270D92.4Very high97.7Very high65 Ų6550.4 Ų50.435%0.34823%0.229SC..SBendtrans50.141.1167.7-16146.3000115V137 L291 K293V137-D270 HydrophobicContact CB-CB 4.38Å; V137-D270 HydrophobicContact CG1-CB 4.08Å; D270-L291 PolarHBondContact N-O 3.45Å; D270-K293 HydrophobicContact CB-CB 3.82Å; D270-K293 HydrophobicContact CB-CD 4.22Å; D270-K293 HydrophobicContact CB-CG 3.94Å; D270-K293 WeakPolarHBondContact OD2-CD 3.35Å; D270-K293 WeakPolarHBondContact OD2-CE 3.44Å; D270-K293 WeakPolarHBondContact OD2-CG 3.13Å; D270-K293 IonicContact OD2-NZ 3.87Å; D270-K293 PolarHBondContact OD2-NZ 2.8Å
271Q94.6Very high97.7Very high56 Ų5652.5 Ų52.526%0.26224%0.237SC..  trans-151.587.1-179.8-170.164.83.500113.1P134 V268 L269 R273 L274 Y275P134-Q271 HydrophobicContact CG-CB 4.49Å; V268-Q271 HydrophobicContact CG1-CB 4.35Å; V268-Q271 WeakPolarHBondContact CG1-O 3.43Å; L269-Q271 VanDerWaalsContact C-N 3.31Å; L269-Q271 PolarHBondContact O-N 3.24Å; Q271-R273 PolarHBondContact O-N 3.4Å; Q271-L274 HydrophobicContact CB-CB 4.04Å; Q271-L274 HydrophobicContact CG-CB 3.47Å; Q271-L274 VanDerWaalsContact CG-CB 3.47Å; Q271-L274 HydrophobicContact CG-CD2 4.44Å; Q271-L274 PolarHBondContact O-N 2.84Å; Q271-Y275 PolarHBondContact O-N 2.89Å
272E96.6Very high97.7Very high141 Ų14153.1 Ų53.166%0.65924%0.24SC*.Hα-helixtrans-60.1-39.4-177.2-65.9-171.1165.100114.1L274 Y275 N276 L290E272-L274 VanDerWaalsContact C-N 3.34Å; E272-L274 PolarHBondContact O-N 2.95Å; E272-Y275 WeakPolarHBondContact O-CB 3.18Å; E272-Y275 PolarHBondContact O-N 3.02Å; E272-N276 PolarHBondContact O-N 2.83Å; E272-N276 PolarHBondContact O-ND2 3.07Å; E272-L290 HydrophobicContact CG-CD2 3.97Å
273R97.2Very high97.6Very high161 Ų16151.6 Ų51.661%0.60824%0.239SC*.Hα-helixtrans-60.5-46.2178.1178.8176.6169.7168.22111.3Q271 Y275 N276 E277Q271-R273 PolarHBondContact O-N 3.4Å; R273-Y275 VanDerWaalsContact C-N 3.31Å; R273-Y275 PolarHBondContact O-N 2.77Å; R273-N276 PolarHBondContact O-N 3.27Å; R273-E277 IonicContact CZ-OE1 2.64Å; R273-E277 IonicContact NE-OE1 2.77Å; R273-E277 PolarHBondContact NE-OE1 2.67Å; R273-E277 IonicContact NH2-OE1 3.42Å; R273-E277 PolarHBondContact NH2-OE1 3.22Å; R273-E277 WeakPolarHBondContact O-CG 3.35Å; R273-E277 PolarHBondContact O-N 2.87Å
274L97.9Very high97.5Very high2 Ų260.7 Ų60.71%0.0128%0.281CS..Hα-helixtrans-64.5-39.6178178.363.1000110.8V132 V246 Y251 L254 V268 Q271 E272 E277 L278V132-L274 HydrophobicContact CB-CD2 4.29Å; V132-L274 HydrophobicContact CG2-CD2 3.98Å; V246-L274 HydrophobicContact CB-CD1 4.34Å; V246-L274 HydrophobicContact CB-CD2 3.96Å; V246-L274 HydrophobicContact CG1-CD2 3.72Å; Y251-L274 HydrophobicContact CD2-CD1 3.82Å; Y251-L274 HydrophobicContact CE2-CD1 4.04Å; L254-L274 HydrophobicContact CD1-CD1 4.17Å; L254-L274 HydrophobicContact CD1-CD2 4.49Å; V268-L274 HydrophobicContact CG1-CB 4.27Å; V268-L274 HydrophobicContact CG1-CD2 4.12Å; V268-L274 HydrophobicContact CG1-CG 4.2Å; Q271-L274 HydrophobicContact CB-CB 4.04Å; Q271-L274 HydrophobicContact CG-CB 3.47Å; Q271-L274 VanDerWaalsContact CG-CB 3.47Å; Q271-L274 HydrophobicContact CG-CD2 4.44Å; Q271-L274 PolarHBondContact O-N 2.84Å; E272-L274 VanDerWaalsContact C-N 3.34Å; E272-L274 PolarHBondContact O-N 2.95Å; L274-E277 PolarHBondContact O-N 2.82Å; L274-L278 HydrophobicContact CD1-CD1 3.82Å; L274-L278 HydrophobicContact CD1-CG 3.99Å; L274-L278 HydrophobicContact CD2-CD1 4.47Å; L274-L278 HydrophobicContact CG-CD1 3.79Å; L274-L278 HydrophobicContact CG-CG 4.36Å; L274-L278 WeakPolarHBondContact O-CB 3.2Å; L274-L278 WeakPolarHBondContact O-CG 3.31Å; L274-L278 PolarHBondContact O-N 3.36Å
275Y98.4Very high97.3Very high44 Ų4466 Ų6617%0.17330%0.303CS..Hα-helixtrans-56.8-49.4174.2167.4-93000112V268 Q271 E272 R273 L278 K279 V288 L290V268-Y275 HydrophobicContact CG2-CD2 4.38Å; Q271-Y275 PolarHBondContact O-N 2.89Å; E272-Y275 WeakPolarHBondContact O-CB 3.18Å; E272-Y275 PolarHBondContact O-N 3.02Å; R273-Y275 VanDerWaalsContact C-N 3.31Å; R273-Y275 PolarHBondContact O-N 2.77Å; Y275-L278 PolarHBondContact O-N 3.46Å; Y275-K279 HydrophobicContact CE1-CD 3.93Å; Y275-K279 WeakPolarHBondContact O-CB 3.14Å; Y275-K279 PolarHBondContact O-N 2.8Å; Y275-K279 PolarHBondContact OH-NZ 2.73Å; Y275-K279 VanDerWaalsContact OH-NZ 3.1Å; Y275-V288 HydrophobicContact CD2-CG1 3.66Å; Y275-V288 HydrophobicContact CE2-CB 4.3Å; Y275-V288 HydrophobicContact CE2-CG1 3.9Å; Y275-V288 WeakPolarHBondContact CE2-O 3.33Å; Y275-L290 HydrophobicContact CD2-CB 3.72Å; Y275-L290 HydrophobicContact CE2-CB 4.07Å; Y275-L290 HydrophobicContact CG-CB 4.13Å
276N98.1Very high97.3Very high96 Ų9666.3 Ų66.351%0.51331%0.305SS..Hα-helixtrans-67.6-38.7-179.5-71.5-47.5000112.4E272 R273 R280E272-N276 PolarHBondContact O-N 2.83Å; E272-N276 PolarHBondContact O-ND2 3.07Å; R273-N276 PolarHBondContact O-N 3.27Å; N276-R280 WeakPolarHBondContact O-CB 3.34Å; N276-R280 PolarHBondContact O-N 3.17Å; N276-R280 VanDerWaalsContact O-N 3.15Å
277E98.1Very high97.3Very high42 Ų4273.4 Ų73.420%0.19633%0.331CS..Hα-helixtrans-61.8-51.1174.9-73.5170.5172.400110.9Y251 R273 L274 K279 R280 D281Y251-E277 HydrophobicContact CE2-CB 3.83Å; Y251-E277 VanDerWaalsContact OH-C 3.27Å; Y251-E277 PolarHBondContact OH-O 3.45Å; R273-E277 IonicContact CZ-OE1 2.64Å; R273-E277 IonicContact NE-OE1 2.77Å; R273-E277 PolarHBondContact NE-OE1 2.67Å; R273-E277 IonicContact NH2-OE1 3.42Å; R273-E277 PolarHBondContact NH2-OE1 3.22Å; R273-E277 WeakPolarHBondContact O-CG 3.35Å; R273-E277 PolarHBondContact O-N 2.87Å; L274-E277 PolarHBondContact O-N 2.82Å; E277-K279 PolarHBondContact O-N 3.02Å; E277-R280 PolarHBondContact O-N 3.16Å; E277-D281 WeakPolarHBondContact O-CB 3.45Å; E277-D281 PolarHBondContact O-N 3.33Å
278L98.1Very high97.3Very high0 Ų074.5 Ų74.50%034%0.338CS..Hα-helixtrans-65.7-38.4179.4-70.4170.3000112.8V132 Y251 V255 V266 V268 L274 Y275 R280 D281 L282 V288V132-L278 HydrophobicContact CG2-CD1 3.73Å; Y251-L278 HydrophobicContact CE2-CD2 3.75Å; Y251-L278 HydrophobicContact CE2-CG 4.04Å; V255-L278 HydrophobicContact CG2-CD2 4.42Å; V266-L278 HydrophobicContact CG1-CD1 4.08Å; V268-L278 HydrophobicContact CG2-CD1 4.03Å; L274-L278 HydrophobicContact CD1-CD1 3.82Å; L274-L278 HydrophobicContact CD1-CG 3.99Å; L274-L278 HydrophobicContact CD2-CD1 4.47Å; L274-L278 HydrophobicContact CG-CD1 3.79Å; L274-L278 HydrophobicContact CG-CG 4.36Å; L274-L278 WeakPolarHBondContact O-CB 3.2Å; L274-L278 WeakPolarHBondContact O-CG 3.31Å; L274-L278 PolarHBondContact O-N 3.36Å; Y275-L278 PolarHBondContact O-N 3.46Å; L278-R280 PolarHBondContact O-N 2.93Å; L278-D281 PolarHBondContact O-N 3.38Å; L278-L282 HydrophobicContact CB-CD1 4.1Å; L278-L282 HydrophobicContact CB-CG 4.49Å; L278-L282 HydrophobicContact CD2-CD1 4.14Å; L278-L282 HydrophobicContact CD2-CG 4.35Å; L278-L282 WeakPolarHBondContact O-CB 3.34Å; L278-L282 VanDerWaalsContact O-CG 3.27Å; L278-L282 WeakPolarHBondContact O-CG 3.2Å; L278-L282 PolarHBondContact O-N 3.24Å; L278-V288 HydrophobicContact CB-CG1 4.38Å
279K97.4Very high97.3Very high114 Ų11477.2 Ų77.250%0.49635%0.354SS..Hα-helixtrans-63.9-30.7176.6-174.5177-175.3176.10112.6Y275 E277Y275-K279 HydrophobicContact CE1-CD 3.93Å; Y275-K279 WeakPolarHBondContact O-CB 3.14Å; Y275-K279 PolarHBondContact O-N 2.8Å; Y275-K279 PolarHBondContact OH-NZ 2.73Å; Y275-K279 VanDerWaalsContact OH-NZ 3.1Å; E277-K279 PolarHBondContact O-N 3.02Å
280R97.6Very high97.3Very high173 Ų17380.4 Ų80.465%0.65337%0.371SS*.Hα-helixtrans-78.5-42.3176.4-176.1-168.367.4-153.1-9.7111.8N276 E277 L278N276-R280 WeakPolarHBondContact O-CB 3.34Å; N276-R280 PolarHBondContact O-N 3.17Å; N276-R280 VanDerWaalsContact O-N 3.15Å; E277-R280 PolarHBondContact O-N 3.16Å; L278-R280 PolarHBondContact O-N 2.93Å
281D97.7Very high97.6Very high69 Ų6977.6 Ų77.637%0.36936%0.356SS..Hα-helixtrans-94.4-21.2-167.5-63-11.7000113.7Y251 E277 L278Y251-D281 WeakPolarHBondContact OH-CB 3.02Å; Y251-D281 VanDerWaalsContact OH-CG 3.25Å; Y251-D281 PolarHBondContact OH-OD2 2.94Å; E277-D281 WeakPolarHBondContact O-CB 3.45Å; E277-D281 PolarHBondContact O-N 3.33Å; L278-D281 PolarHBondContact O-N 3.38Å
282L98.1Very high97.6Very high14 Ų1477.7 Ų77.77%0.07336%0.362CS..SBendtrans-84152.9175.5-64.8177.5000111.9A258 V266 L278 V286 V288A258-L282 HydrophobicContact CB-CD2 3.65Å; V266-L282 HydrophobicContact CG2-CD1 3.76Å; L278-L282 HydrophobicContact CB-CD1 4.1Å; L278-L282 HydrophobicContact CB-CG 4.49Å; L278-L282 HydrophobicContact CD2-CD1 4.14Å; L278-L282 HydrophobicContact CD2-CG 4.35Å; L278-L282 WeakPolarHBondContact O-CB 3.34Å; L278-L282 VanDerWaalsContact O-CG 3.27Å; L278-L282 WeakPolarHBondContact O-CG 3.2Å; L278-L282 PolarHBondContact O-N 3.24Å; L282-V286 HydrophobicContact CB-CB 4.36Å; L282-V286 HydrophobicContact CD1-CG1 4.11Å; L282-V288 HydrophobicContact CD1-CG2 4.19Å
283P97.6Very high97.5Very high69 Ų6975.1 Ų75.145%0.44835%0.348SS..  trans-55.9144.7175.5-24.834000112.8F285 V286P283-F285 HydrophobicContact CB-CD1 3.52Å; P283-F285 HydrophobicContact CB-CE1 3.24Å; P283-F285 HydrophobicContact CB-CG 4.4Å; P283-F285 HydrophobicContact CB-CZ 3.94Å; P283-F285 HydrophobicContact CG-CE1 3.82Å; P283-F285 HydrophobicContact CG-CZ 4.16Å; P283-F285 PolarHBondContact O-N 2.74Å; P283-V286 HydrophobicContact CB-CG2 4.28Å; P283-V286 HydrophobicContact CG-CG2 4.43Å; P283-V286 WeakPolarHBondContact O-CB 3.2Å; P283-V286 PolarHBondContact O-N 3.28Å
284H95.3Very high97.3Very high191 Ų19168.3 Ų68.388%0.88433%0.325SS*.THydrogen-bonded Turntrans-59-21.1-176.2-67.8-53.4000115.3V286H284-V286 VanDerWaalsContact C-N 3.3Å
285F95.9Very high97Very high142 Ų14270.7 Ų70.762%0.62335%0.351SS*.THydrogen-bonded Turntrans-75.1-20.8176.369.8-100.2000112.8P283 R287P283-F285 HydrophobicContact CB-CD1 3.52Å; P283-F285 HydrophobicContact CB-CE1 3.24Å; P283-F285 HydrophobicContact CB-CG 4.4Å; P283-F285 HydrophobicContact CB-CZ 3.94Å; P283-F285 HydrophobicContact CG-CE1 3.82Å; P283-F285 HydrophobicContact CG-CZ 4.16Å; P283-F285 PolarHBondContact O-N 2.74Å; F285-R287 PolarHBondContact O-N 3.46Å
286V98.4Very high96.5Very high14 Ų1470 Ų709%0.08536%0.357CS..SBendtrans-76121.1179.7-175.20000109.5V263 V266 L282 P283 H284 V288V263-V286 HydrophobicContact CG2-CG1 4.1Å; V263-V286 WeakPolarHBondContact O-CG2 3.24Å; V266-V286 HydrophobicContact CG2-CG1 3.77Å; L282-V286 HydrophobicContact CB-CB 4.36Å; L282-V286 HydrophobicContact CD1-CG1 4.11Å; P283-V286 HydrophobicContact CB-CG2 4.28Å; P283-V286 HydrophobicContact CG-CG2 4.43Å; P283-V286 WeakPolarHBondContact O-CB 3.2Å; P283-V286 PolarHBondContact O-N 3.28Å; H284-V286 VanDerWaalsContact C-N 3.3Å; V286-V288 PolarHBondContact O-N 2.9Å
287R98.5Very high96.2Very high149 Ų14967.6 Ų67.656%0.56235%0.345SS*.EExtended strand (participates in β ladder)trans-82.1105.5-179.8-61.8178.9-175.3176.41.2110.1D264 V265 V266 F285D264-R287 PolarHBondContact O-N 2.83Å; V265-R287 CarbonylContact C-O 3.57Å; V265-R287 WeakPolarHBondContact CA-O 3.46Å; V265-R287 HydrophobicContact CG2-CB 4.35Å; V266-R287 PolarHBondContact N-O 2.79Å; F285-R287 PolarHBondContact O-N 3.46Å
288V98.6Very high95.7Very high23 Ų2367.9 Ų67.914%0.13935%0.35CS..EExtended strand (participates in β ladder)trans-92.3120.5174.4-168.50000109.7V266 V268 Y275 L278 L282 V286V266-V288 HydrophobicContact CB-CG1 4.48Å; V266-V288 HydrophobicContact CB-CG2 4.46Å; V266-V288 WeakPolarHBondContact O-CA 3.09Å; V268-V288 HydrophobicContact CG2-CG1 3.81Å; Y275-V288 HydrophobicContact CD2-CG1 3.66Å; Y275-V288 HydrophobicContact CE2-CB 4.3Å; Y275-V288 HydrophobicContact CE2-CG1 3.9Å; Y275-V288 WeakPolarHBondContact CE2-O 3.33Å; L278-V288 HydrophobicContact CB-CG1 4.38Å; L282-V288 HydrophobicContact CD1-CG2 4.19Å; V286-V288 PolarHBondContact O-N 2.9Å
289V98.5Very high95.2Very high56 Ų5675.8 Ų75.834%0.33939%0.387SS..EExtended strand (participates in β ladder)trans-121126.2-177-176.40000109.4V266 L267 V268 L291V266-V289 PolarHBondContact O-N 3.08Å; L267-V289 HydrophobicContact CD2-CB 3.96Å; L267-V289 HydrophobicContact CD2-CG2 4.38Å; V268-V289 PolarHBondContact N-O 3.06Å; V289-L291 HydrophobicContact CG1-CD2 4.04Å; V289-L291 HydrophobicContact CG1-CG 4.26Å
290L98.4Very high94.7Very high67 Ų6775.6 Ų75.635%0.35138%0.383SS..EExtended strand (participates in β ladder)trans-87.3127.7171.4-177.666.5000109.2V268 E272 Y275V268-L290 HydrophobicContact CB-CD1 4.28Å; V268-L290 HydrophobicContact CG1-CD1 4.19Å; E272-L290 HydrophobicContact CG-CD2 3.97Å; Y275-L290 HydrophobicContact CD2-CB 3.72Å; Y275-L290 HydrophobicContact CE2-CB 4.07Å; Y275-L290 HydrophobicContact CG-CB 4.13Å
291L98.1Very high94.3Very high7 Ų770.8 Ų70.84%0.03738%0.376CS..EExtended strand (participates in β ladder)trans-121.7141.4174.5-61.9174.1000109.7L104 Y105 L267 V268 L269 D270 V289L104-L291 HydrophobicContact CB-CD2 4.28Å; Y105-L291 HydrophobicContact CD1-CD1 4.22Å; Y105-L291 HydrophobicContact CE1-CB 4.45Å; Y105-L291 HydrophobicContact CE1-CD1 4.25Å; L267-L291 HydrophobicContact CB-CD1 4.22Å; L267-L291 HydrophobicContact CD1-CD1 4.25Å; L267-L291 HydrophobicContact CD2-CD1 4.25Å; L267-L291 HydrophobicContact CG-CD1 4.47Å; V268-L291 PolarHBondContact O-N 3.21Å; L269-L291 WeakPolarHBondContact CA-O 3.22Å; L269-L291 HydrophobicContact CD2-CB 3.67Å; L269-L291 HydrophobicContact CD2-CD1 4.05Å; L269-L291 HydrophobicContact CD2-CG 4.43Å; D270-L291 PolarHBondContact N-O 3.45Å; V289-L291 HydrophobicContact CG1-CD2 4.04Å; V289-L291 HydrophobicContact CG1-CG 4.26Å
292P96.3Very high93.9Very high58 Ų5876.3 Ų76.338%0.37740%0.396SS..PPolyproline II helixtrans-70.3151.5173.130.9-34.8000110.5P101 L104 Y105P101-P292 HydrophobicContact CB-CG 3.95Å; L104-P292 HydrophobicContact CD1-CG 3.57Å; Y105-P292 PolarHBondContact OH-O 2.95Å
293K93.7Very high93.5Very high87 Ų8780.6 Ų80.638%0.37842%0.419SS..PPolyproline II helixtrans-73155.5165.368.1176.9173.3-152.10110.1V137 D270V137-K293 HydrophobicContact CB-CB 4.35Å; D270-K293 HydrophobicContact CB-CB 3.82Å; D270-K293 HydrophobicContact CB-CD 4.22Å; D270-K293 HydrophobicContact CB-CG 3.94Å; D270-K293 WeakPolarHBondContact OD2-CD 3.35Å; D270-K293 WeakPolarHBondContact OD2-CE 3.44Å; D270-K293 WeakPolarHBondContact OD2-CG 3.13Å; D270-K293 IonicContact OD2-NZ 3.87Å; D270-K293 PolarHBondContact OD2-NZ 2.8Å
294S93.8Very high93Very high17 Ų1779.3 Ų79.312%0.11941%0.411CS..PPolyproline II helixtrans-70.8139.3167.4172.70000110R36 G296 V297R36-S294 PolarHBondContact NH2-OG 3.41Å; S294-G296 PolarHBondContact O-N 2.85Å; S294-G296 VanDerWaalsContact O-N 3.13Å; S294-G296 PolarHBondContact OG-N 3.23Å; S294-G296 VanDerWaalsContact OG-N 3.11Å; S294-V297 WeakPolarHBondContact O-CB 3.24Å; S294-V297 WeakPolarHBondContact O-CG2 3.49Å; S294-V297 PolarHBondContact O-N 2.74Å
295G90.3Very high92.9Very high53 Ų5372.4 Ų72.455%0.54638%0.378SS..THydrogen-bonded Turntrans-63.2-11170.500000113.7R36 V297R36-G295 VanDerWaalsContact NH1-C 3.31Å; G295-V297 VanDerWaalsContact C-N 3.33Å
296G88.7Confident92.7Very high29 Ų2972.7 Ų72.730%0.29938%0.375SS..THydrogen-bonded Turntrans-85.70.4172.300000114.3R36 S294R36-G296 VanDerWaalsContact CZ-N 3.26Å; S294-G296 PolarHBondContact O-N 2.85Å; S294-G296 VanDerWaalsContact O-N 3.13Å; S294-G296 PolarHBondContact OG-N 3.23Å; S294-G296 VanDerWaalsContact OG-N 3.11Å
297V90.6Very high92.4Very high45 Ų4577.7 Ų77.727%0.27340%0.397SS..  trans-77.6128.4174.4-178.10000109.4D136 S294 G295D136-V297 VanDerWaalsContact C-CG1 3.48Å; D136-V297 WeakPolarHBondContact O-CG1 3.48Å; S294-V297 WeakPolarHBondContact O-CB 3.24Å; S294-V297 WeakPolarHBondContact O-CG2 3.49Å; S294-V297 PolarHBondContact O-N 2.74Å; G295-V297 VanDerWaalsContact C-N 3.33Å
298V88.1Confident92Very high49 Ų4972.3 Ų72.330%0.29738%0.384SS..  trans-110.2138.3-177.3-171.20000109.7E38 K74E38-V298 WeakPolarHBondContact OE1-CG2 3.48Å; K74-V298 HydrophobicContact CD-CB 3.84Å; K74-V298 HydrophobicContact CD-CG1 4.4Å; K74-V298 HydrophobicContact CD-CG2 3.95Å
299E87.2Confident91.8Very high166 Ų16673.7 Ų73.778%0.77639%0.387SS*.  trans-66138.2173.3-66.3-171.1171.200111.1D136D136-E299 HydrophobicContact CB-CG 4.48Å
300R87.6Confident91.6Very high110 Ų11073.1 Ų73.142%0.41538%0.382SS..  trans-109.4124.8-178-63-177-176.2-177.9-0.4110.9D136 R305D136-R300 PolarHBondContact OD2-N 3.49Å; R300-R305 HydrophobicContact CB-CG 4.17Å; R300-R305 PolarHBondContact O-NE 2.94Å
301S89.1Confident91.2Very high71 Ų7174.2 Ų74.250%0.49739%0.388SS..  trans-60.8161.2170.973.60000111.5D303 C304 R305S301-D303 PolarHBondContact O-N 3.2Å; S301-C304 PolarHBondContact O-N 2.83Å; S301-C304 WeakPolarHBondContact OG-CB 3.46Å; S301-C304 PolarHBondContact OG-N 3.08Å; S301-C304 VanDerWaalsContact OG-N 3.12Å; S301-R305 WeakPolarHBondContact O-CG 3.42Å; S301-R305 PolarHBondContact O-N 3.13Å
302K89.5Confident91Very high185 Ų18575.6 Ų75.680%0.80439%0.394SS*.Hα-helixtrans-61.1-35.1175.6-69-178.9-179.8176.10111.9R305 R306K302-R305 PolarHBondContact O-N 3.46Å; K302-R306 PolarHBondContact O-N 3.12Å
303D89.8Confident91Very high104 Ų10472.9 Ų72.956%0.55638%0.377SS*.Hα-helixtrans-70.3-46179.8-60.8-37.8000111.3S301 R305 R306 E307S301-D303 PolarHBondContact O-N 3.2Å; D303-R305 VanDerWaalsContact C-N 3.25Å; D303-R305 PolarHBondContact O-N 2.73Å; D303-R306 CarbonylContact O-C 3.46Å; D303-R306 WeakPolarHBondContact O-CA 3.2Å; D303-R306 WeakPolarHBondContact O-CB 3.28Å; D303-R306 PolarHBondContact O-N 3.43Å; D303-E307 WeakPolarHBondContact O-CG 3.5Å; D303-E307 PolarHBondContact O-N 3.35Å
304C87.9Confident91Very high42 Ų4273.2 Ų73.228%0.28438%0.375SS..Hα-helixtrans-55.9-40.9173.6173.50000111.9S301 R306 A308S301-C304 PolarHBondContact O-N 2.83Å; S301-C304 WeakPolarHBondContact OG-CB 3.46Å; S301-C304 PolarHBondContact OG-N 3.08Å; S301-C304 VanDerWaalsContact OG-N 3.12Å; C304-R306 VanDerWaalsContact C-N 3.32Å; C304-R306 PolarHBondContact O-N 3.36Å; C304-A308 WeakPolarHBondContact O-CB 3.16Å; C304-A308 PolarHBondContact O-N 3.42Å
305R91.9Very high90.9Very high47 Ų4775.2 Ų75.218%0.17738%0.383CS..Hα-helixtrans-66.5-33.9175.1-67174.6-173.9-77.2-1.7112.6D136 Q166 R300 S301 K302 D303 R309D136-R305 IonicContact OD1-CZ 3.8Å; D136-R305 IonicContact OD1-NH1 3.8Å; D136-R305 IonicContact OD1-NH2 3.73Å; D136-R305 PolarHBondContact OD1-NH2 2.92Å; D136-R305 IonicContact OD2-CZ 2.79Å; D136-R305 IonicContact OD2-NH2 3.48Å; D136-R305 PolarHBondContact OD2-NH2 2.9Å; Q166-R305 PolarHBondContact NE2-O 3.06Å; R300-R305 HydrophobicContact CB-CG 4.17Å; R300-R305 PolarHBondContact O-NE 2.94Å; S301-R305 WeakPolarHBondContact O-CG 3.42Å; S301-R305 PolarHBondContact O-N 3.13Å; K302-R305 PolarHBondContact O-N 3.46Å; D303-R305 VanDerWaalsContact C-N 3.25Å; D303-R305 PolarHBondContact O-N 2.73Å; R305-R309 WeakPolarHBondContact O-CG 3.29Å; R305-R309 PolarHBondContact O-N 3.02Å; R305-R309 PolarHBondContact O-NH1 2.83Å; R305-R309 VanDerWaalsContact O-NH1 3.13Å
306R92.4Very high91.1Very high147 Ų14775.6 Ų75.656%0.55537%0.368SS*.Hα-helixtrans-69.7-47.5177.3-177.3-175.4175.3-168-1.2110.5K302 D303 C304 A308 R309 D310K302-R306 PolarHBondContact O-N 3.12Å; D303-R306 CarbonylContact O-C 3.46Å; D303-R306 WeakPolarHBondContact O-CA 3.2Å; D303-R306 WeakPolarHBondContact O-CB 3.28Å; D303-R306 PolarHBondContact O-N 3.43Å; C304-R306 VanDerWaalsContact C-N 3.32Å; C304-R306 PolarHBondContact O-N 3.36Å; R306-A308 VanDerWaalsContact C-N 3.33Å; R306-A308 PolarHBondContact O-N 3.35Å; R306-R309 WeakPolarHBondContact O-CB 3.49Å; R306-R309 PolarHBondContact O-N 2.07Å; R306-D310 PolarHBondContact O-N 2.73Å
307E90.9Very high91.4Very high119 Ų11974.3 Ų74.356%0.55635%0.354SS*.Hα-helixtrans-57.7-46.2175.4-69.6170.8176.900111.2D303 R309 D310 D311D303-E307 WeakPolarHBondContact O-CG 3.5Å; D303-E307 PolarHBondContact O-N 3.35Å; E307-R309 VanDerWaalsContact C-N 3.25Å; E307-R309 PolarHBondContact O-N 3.13Å; E307-D310 PolarHBondContact O-N 2.94Å; E307-D310 VanDerWaalsContact O-N 3.1Å; E307-D311 WeakPolarHBondContact O-CB 3.11Å; E307-D311 PolarHBondContact O-N 3.04Å
308A90.6Very high91.6Very high36 Ų3675.5 Ų75.530%0.29835%0.354SS..Hα-helixtrans-60.5-32.717600000113.4C304 R306 K312C304-A308 WeakPolarHBondContact O-CB 3.16Å; C304-A308 PolarHBondContact O-N 3.42Å; R306-A308 VanDerWaalsContact C-N 3.33Å; R306-A308 PolarHBondContact O-N 3.35Å; A308-K312 WeakPolarHBondContact O-CB 3.44Å; A308-K312 PolarHBondContact O-N 2.72Å
309R94.6Very high91.6Very high53 Ų5373.7 Ų73.720%0.235%0.346CS..Hα-helixtrans-68.6-46173.6-77.6-168.5-59.2-83.74111.3G165 P172 T203 R305 R306 E307 D311 K312 I313G165-R309 WeakPolarHBondContact O-CD 3.12Å; G165-R309 WeakPolarHBondContact O-CG 3.41Å; P172-R309 HydrophobicContact CB-CB 4.32Å; P172-R309 HydrophobicContact CB-CG 3.83Å; P172-R309 HydrophobicContact CG-CB 3.59Å; P172-R309 HydrophobicContact CG-CG 3.49Å; P172-R309 VanDerWaalsContact CG-CG 3.49Å; T203-R309 VanDerWaalsContact CG2-CD 3.49Å; R305-R309 WeakPolarHBondContact O-CG 3.29Å; R305-R309 PolarHBondContact O-N 3.02Å; R305-R309 PolarHBondContact O-NH1 2.83Å; R305-R309 VanDerWaalsContact O-NH1 3.13Å; R306-R309 WeakPolarHBondContact O-CB 3.49Å; R306-R309 PolarHBondContact O-N 2.07Å; E307-R309 VanDerWaalsContact C-N 3.25Å; E307-R309 PolarHBondContact O-N 3.13Å; R309-D311 VanDerWaalsContact C-N 3.33Å; R309-K312 PolarHBondContact O-N 2.84Å; R309-I313 WeakPolarHBondContact O-CG1 3.37Å; R309-I313 PolarHBondContact O-N 3.33Å; R309-I313 VanDerWaalsContact O-N 3.07Å
310D93.7Very high91.3Very high44 Ų4468.4 Ų68.424%0.23532%0.32CS..Hα-helixtrans-64.4-41.1179.8-65.9-8.9000110.5R306 E307 K312 I313 R314R306-D310 PolarHBondContact O-N 2.73Å; E307-D310 PolarHBondContact O-N 2.94Å; E307-D310 VanDerWaalsContact O-N 3.1Å; D310-K312 VanDerWaalsContact C-N 3.34Å; D310-K312 PolarHBondContact O-N 2.86Å; D310-I313 PolarHBondContact O-N 2.82Å; D310-R314 WeakPolarHBondContact O-CB 3.09Å; D310-R314 PolarHBondContact O-N 2.81Å
311D91.4Very high90.5Very high89 Ų8968.1 Ų68.148%0.47632%0.319SS..Hα-helixtrans-61.3-41173.7-74-10.9000111.8E307 R309 I313 R314 E315E307-D311 WeakPolarHBondContact O-CB 3.11Å; E307-D311 PolarHBondContact O-N 3.04Å; R309-D311 VanDerWaalsContact C-N 3.33Å; D311-I313 VanDerWaalsContact C-N 3.35Å; D311-I313 PolarHBondContact O-N 2.76Å; D311-R314 PolarHBondContact O-N 2.81Å; D311-R314 IonicContact OD1-CZ 2.83Å; D311-R314 IonicContact OD1-NH1 3.14Å; D311-R314 PolarHBondContact OD1-NH1 3.45Å; D311-E315 WeakPolarHBondContact O-CB 3.25Å; D311-E315 PolarHBondContact O-N 2.78Å
312K93.1Very high89.4Confident37 Ų3768.8 Ų68.816%0.16134%0.337CS..Hα-helixtrans-68.2-35178.7-165.753.5169.1177.50112.8S170 A308 R309 D310 E315 Y316S170-K312 WeakPolarHBondContact O-CG 3.25Å; A308-K312 WeakPolarHBondContact O-CB 3.44Å; A308-K312 PolarHBondContact O-N 2.72Å; R309-K312 PolarHBondContact O-N 2.84Å; D310-K312 VanDerWaalsContact C-N 3.34Å; D310-K312 PolarHBondContact O-N 2.86Å; K312-E315 WeakPolarHBondContact CD-OE2 3.36Å; K312-E315 IonicContact NZ-OE1 2.8Å; K312-E315 PolarHBondContact NZ-OE1 3.24Å; K312-E315 IonicContact NZ-OE2 3.87Å; K312-E315 PolarHBondContact NZ-OE2 2.85Å; K312-Y316 PolarHBondContact O-N 2.99Å
313I95.7Very high88.8Confident1 Ų162.7 Ų62.71%0.00532%0.316CS..Hα-helixtrans-67.7-43.4172.4-62166.1000109.8V171 P172 R309 D310 D311 E315 Y316 F317 V378 I439 F441V171-I313 HydrophobicContact CB-CG1 4.27Å; V171-I313 HydrophobicContact CG1-CG1 4.37Å; P172-I313 HydrophobicContact CG-CG1 4.45Å; R309-I313 WeakPolarHBondContact O-CG1 3.37Å; R309-I313 PolarHBondContact O-N 3.33Å; R309-I313 VanDerWaalsContact O-N 3.07Å; D310-I313 PolarHBondContact O-N 2.82Å; D311-I313 VanDerWaalsContact C-N 3.35Å; D311-I313 PolarHBondContact O-N 2.76Å; I313-E315 VanDerWaalsContact C-N 3.34Å; I313-E315 PolarHBondContact O-N 2.8Å; I313-Y316 WeakPolarHBondContact O-CB 3.34Å; I313-Y316 PolarHBondContact O-N 3.43Å; I313-F317 HydrophobicContact CG2-CD2 4.09Å; I313-F317 HydrophobicContact CG2-CE2 3.87Å; I313-F317 VanDerWaalsContact O-CD2 3.29Å; I313-F317 WeakPolarHBondContact O-CD2 3.42Å; I313-F317 PolarHBondContact O-N 3.21Å; I313-V378 HydrophobicContact CD1-CG2 4.22Å; I313-I439 HydrophobicContact CD1-CG2 3.72Å; I313-F441 HydrophobicContact CB-CD2 3.85Å; I313-F441 HydrophobicContact CB-CE2 4.2Å; I313-F441 HydrophobicContact CB-CG 4.32Å; I313-F441 HydrophobicContact CD1-CB 4.29Å; I313-F441 HydrophobicContact CD1-CD2 4.39Å; I313-F441 HydrophobicContact CG2-CB 3.89Å; I313-F441 HydrophobicContact CG2-CD1 4.01Å; I313-F441 HydrophobicContact CG2-CD2 3.57Å; I313-F441 HydrophobicContact CG2-CE1 4.44Å; I313-F441 HydrophobicContact CG2-CE2 4.05Å; I313-F441 HydrophobicContact CG2-CG 3.54Å; I313-F441 HydrophobicContact CG2-CZ 4.46Å
314R94.1Very high88.7Confident93 Ų9361.5 Ų61.535%0.35132%0.315SS..Hα-helixtrans-60.2-44.7176.4-167.7179.4-61.2100.31.8111.6D310 D311 Y316 F317 Y318 F441D310-R314 WeakPolarHBondContact O-CB 3.09Å; D310-R314 PolarHBondContact O-N 2.81Å; D311-R314 PolarHBondContact O-N 2.81Å; D311-R314 IonicContact OD1-CZ 2.83Å; D311-R314 IonicContact OD1-NH1 3.14Å; D311-R314 PolarHBondContact OD1-NH1 3.45Å; R314-Y316 VanDerWaalsContact C-N 3.26Å; R314-Y316 PolarHBondContact O-N 2.67Å; R314-F317 PolarHBondContact O-N 3.18Å; R314-Y318 HydrophobicContact CG-CD2 3.68Å; R314-Y318 HydrophobicContact CG-CE2 4.4Å; R314-Y318 WeakPolarHBondContact O-CB 3.14Å; R314-Y318 WeakPolarHBondContact O-CD2 3.38Å; R314-Y318 PolarHBondContact O-N 3.31Å; R314-F441 HydrophobicContact CB-CE2 4.2Å; R314-F441 HydrophobicContact CB-CZ 4.15Å; R314-F441 HydrophobicContact CG-CZ 4.48Å
315E92.3Very high88.9Confident59 Ų5964.2 Ų64.228%0.27632%0.322SS..Hα-helixtrans-58-38.9177-166.4-162.312700111.9D311 K312 I313 F317 G319 F320D311-E315 WeakPolarHBondContact O-CB 3.25Å; D311-E315 PolarHBondContact O-N 2.78Å; K312-E315 WeakPolarHBondContact CD-OE2 3.36Å; K312-E315 IonicContact NZ-OE1 2.8Å; K312-E315 PolarHBondContact NZ-OE1 3.24Å; K312-E315 IonicContact NZ-OE2 3.87Å; K312-E315 PolarHBondContact NZ-OE2 2.85Å; I313-E315 VanDerWaalsContact C-N 3.34Å; I313-E315 PolarHBondContact O-N 2.8Å; E315-F317 PolarHBondContact O-N 3.06Å; E315-G319 WeakPolarHBondContact CA-O 3.45Å; E315-G319 CarbonylContact O-C 3.32Å; E315-G319 WeakPolarHBondContact O-CA 3.38Å; E315-G319 PolarHBondContact O-N 3.2Å; E315-F320 HydrophobicContact CG-CB 3.87Å
316Y94.7Very high89Confident62 Ų6270.8 Ų70.824%0.24335%0.349CS..Hα-helixtrans-60.9-41.2177.2176.6-96.6000112.9V171 K312 I313 R314 G405 F406 P424V171-Y316 HydrophobicContact CG1-CD1 4.28Å; V171-Y316 HydrophobicContact CG1-CD2 4.23Å; V171-Y316 HydrophobicContact CG1-CG 3.84Å; K312-Y316 PolarHBondContact O-N 2.99Å; I313-Y316 WeakPolarHBondContact O-CB 3.34Å; I313-Y316 PolarHBondContact O-N 3.43Å; R314-Y316 VanDerWaalsContact C-N 3.26Å; R314-Y316 PolarHBondContact O-N 2.67Å; Y316-G405 VanDerWaalsContact OH-CA 3.22Å; Y316-G405 WeakPolarHBondContact OH-CA 3.26Å; Y316-F406 HydrophobicContact CD1-CB 4.47Å; Y316-F406 HydrophobicContact CE1-CB 3.84Å; Y316-F406 HydrophobicContact CE1-CD2 4.26Å; Y316-F406 WeakPolarHBondContact CE1-O 3.4Å; Y316-F406 AromaticContact CE2-CD2 4Å; Y316-F406 HydrophobicContact CE2-CD2 4Å; Y316-F406 AromaticContact CZ-CD2 3.82Å; Y316-F406 PolarHBondContact OH-N 3.03Å; Y316-P424 HydrophobicContact CE1-CB 4.36Å; Y316-P424 HydrophobicContact CE1-CG 4Å
317F95.2Very high89.1Confident1 Ų165.1 Ų65.10%0.00433%0.331CS..Hα-helixtrans-87.7-38.6-177.6-72-75.3000113.8I313 R314 E315 F325 P327 V408 L422I313-F317 HydrophobicContact CG2-CD2 4.09Å; I313-F317 HydrophobicContact CG2-CE2 3.87Å; I313-F317 VanDerWaalsContact O-CD2 3.29Å; I313-F317 WeakPolarHBondContact O-CD2 3.42Å; I313-F317 PolarHBondContact O-N 3.21Å; R314-F317 PolarHBondContact O-N 3.18Å; E315-F317 PolarHBondContact O-N 3.06Å; F317-F325 WeakPolarHBondContact O-CB 3.32Å; F317-P327 HydrophobicContact CB-CB 4.23Å; F317-P327 HydrophobicContact CB-CG 4.25Å; F317-P327 HydrophobicContact CD1-CB 4.22Å; F317-P327 WeakPolarHBondContact O-CD 3.21Å; F317-V408 HydrophobicContact CE2-CG2 3.59Å; F317-V408 HydrophobicContact CZ-CB 4.45Å; F317-V408 HydrophobicContact CZ-CG2 3.7Å; F317-L422 HydrophobicContact CB-CD2 4.27Å; F317-L422 HydrophobicContact CD1-CD2 3.96Å; F317-L422 HydrophobicContact CD1-CG 3.95Å; F317-L422 HydrophobicContact CD2-CD2 4.2Å; F317-L422 HydrophobicContact CE1-CD2 4.36Å; F317-L422 HydrophobicContact CE1-CG 4.2Å; F317-L422 WeakPolarHBondContact CE1-O 3.35Å; F317-L422 HydrophobicContact CG-CD2 3.89Å; F317-L422 HydrophobicContact CG-CG 4.38Å
318Y93.8Very high89.4Confident70 Ų7063 Ų6328%0.27532%0.321SS..Hα-helixtrans-108-2.9-169.5-63.5-73.3000113.5R314 F325 P327 L422 D443R314-Y318 HydrophobicContact CG-CD2 3.68Å; R314-Y318 HydrophobicContact CG-CE2 4.4Å; R314-Y318 WeakPolarHBondContact O-CB 3.14Å; R314-Y318 WeakPolarHBondContact O-CD2 3.38Å; R314-Y318 PolarHBondContact O-N 3.31Å; Y318-F325 PolarHBondContact O-N 3.06Å; Y318-P327 HydrophobicContact CD1-CG 3.65Å; Y318-P327 HydrophobicContact CE1-CG 3.24Å; Y318-P327 HydrophobicContact CG-CG 4.44Å; Y318-L422 HydrophobicContact CE2-CD2 4.37Å; Y318-D443 WeakPolarHBondContact CE2-OD1 3.27Å; Y318-D443 PolarHBondContact OH-OD1 2.83Å; Y318-D443 PolarHBondContact OH-OD2 3.5Å
319G89.3Confident89.7Confident12 Ų1265 Ų6512%0.12434%0.337CS..EExtended strand (participates in β ladder)trans76.5-173-174.700000112E315 V323 F325E315-G319 WeakPolarHBondContact CA-O 3.45Å; E315-G319 CarbonylContact O-C 3.32Å; E315-G319 WeakPolarHBondContact O-CA 3.38Å; E315-G319 PolarHBondContact O-N 3.2Å; G319-V323 WeakPolarHBondContact CA-O 3.09Å; G319-F325 VanDerWaalsContact N-CD2 3.28Å
320F80.4Confident89.8Confident54 Ų5463.8 Ų63.824%0.23733%0.334CS..EExtended strand (participates in β ladder)trans-111.8175179.162.5-93.5000109.6E188 E315 G322 V323E188-F320 HydrophobicContact CB-CD2 3.91Å; E188-F320 HydrophobicContact CB-CE1 4.43Å; E188-F320 HydrophobicContact CB-CE2 3.79Å; E188-F320 HydrophobicContact CB-CG 4.37Å; E188-F320 HydrophobicContact CB-CZ 4.02Å; E188-F320 HydrophobicContact CG-CD2 3.57Å; E188-F320 HydrophobicContact CG-CE2 3.16Å; E188-F320 HydrophobicContact CG-CG 4.48Å; E188-F320 HydrophobicContact CG-CZ 3.71Å; E188-F320 WeakPolarHBondContact OE1-CE2 3.47Å; E188-F320 WeakPolarHBondContact OE1-CZ 3.47Å; E188-F320 WeakPolarHBondContact OE2-CZ 3.26Å; E315-F320 HydrophobicContact CG-CB 3.87Å; F320-G322 PolarHBondContact O-N 2.76Å; F320-V323 HydrophobicContact CE1-CB 4.16Å; F320-V323 HydrophobicContact CE1-CG2 4.39Å; F320-V323 HydrophobicContact CE2-CB 3.95Å; F320-V323 HydrophobicContact CE2-CG2 3.71Å; F320-V323 HydrophobicContact CZ-CB 3.73Å; F320-V323 HydrophobicContact CZ-CG2 3.52Å; F320-V323 PolarHBondContact N-O 3.13Å; F320-V323 CarbonylContact O-C 3.59Å; F320-V323 PolarHBondContact O-N 2.72Å
321R70Confident90Very high104 Ų10466.5 Ų66.539%0.39235%0.348SS..THydrogen-bonded Turntrans-55.2123.7-175.4-67.4-178.6172.9-171.5-2.3111.8K44 P70K44-R321 VanDerWaalsContact CE-NH2 3.32Å; P70-R321 VanDerWaalsContact CB-NH2 3.28Å
322G65.4Low90.3Very high85 Ų8562.7 Ų62.788%0.87633%0.328SS*.THydrogen-bonded Turntrans94.1-15.9179.200000114.7F320F320-G322 PolarHBondContact O-N 2.76Å
323V77.1Confident90.5Very high58 Ų5867.6 Ų67.635%0.35235%0.346SS..EExtended strand (participates in β ladder)trans-130.495.8175.8-176.10000109G319 F320 F325G319-V323 WeakPolarHBondContact CA-O 3.09Å; F320-V323 HydrophobicContact CE1-CB 4.16Å; F320-V323 HydrophobicContact CE1-CG2 4.39Å; F320-V323 HydrophobicContact CE2-CB 3.95Å; F320-V323 HydrophobicContact CE2-CG2 3.71Å; F320-V323 HydrophobicContact CZ-CB 3.73Å; F320-V323 HydrophobicContact CZ-CG2 3.52Å; F320-V323 PolarHBondContact N-O 3.13Å; F320-V323 CarbonylContact O-C 3.59Å; F320-V323 PolarHBondContact O-N 2.72Å; V323-F325 HydrophobicContact CG1-CD1 4.22Å; V323-F325 HydrophobicContact CG1-CE1 3.56Å; V323-F325 HydrophobicContact CG1-CZ 4.22Å
324S88.4Confident90.6Very high78 Ų7868.4 Ų68.455%0.54535%0.349SS..EExtended strand (participates in β ladder)trans-79127.2176.3-63.10000111
325F92.3Very high90.7Very high99 Ų9968.8 Ų68.843%0.43437%0.366SS..  trans-95.8150.2162.1-55.7-30000109.6F317 Y318 G319 V323 P327F317-F325 WeakPolarHBondContact O-CB 3.32Å; Y318-F325 PolarHBondContact O-N 3.06Å; G319-F325 VanDerWaalsContact N-CD2 3.28Å; V323-F325 HydrophobicContact CG1-CD1 4.22Å; V323-F325 HydrophobicContact CG1-CE1 3.56Å; V323-F325 HydrophobicContact CG1-CZ 4.22Å; F325-P327 WeakPolarHBondContact O-CD 3.4Å
326Y93.5Very high90.8Very high185 Ų18568.4 Ų68.473%0.72537%0.366SS*.  trans-118.788.2-176.7-60.2-81.9000108.4
327P95.6Very high90.8Very high28 Ų2866 Ų6618%0.18236%0.358CS..  trans-69.7158.1-178.931.4-34.4000110.5F317 Y318 F325 L422 S423F317-P327 HydrophobicContact CB-CB 4.23Å; F317-P327 HydrophobicContact CB-CG 4.25Å; F317-P327 HydrophobicContact CD1-CB 4.22Å; F317-P327 WeakPolarHBondContact O-CD 3.21Å; Y318-P327 HydrophobicContact CD1-CG 3.65Å; Y318-P327 HydrophobicContact CE1-CG 3.24Å; Y318-P327 HydrophobicContact CG-CG 4.44Å; F325-P327 WeakPolarHBondContact O-CD 3.4Å; P327-L422 HydrophobicContact CB-CD1 3.72Å; P327-L422 HydrophobicContact CB-CG 4.16Å; P327-L422 HydrophobicContact CG-CD1 3.84Å; P327-S423 CarbonylContact C-O 3.39Å; P327-S423 WeakPolarHBondContact CA-O 3.27Å; P327-S423 WeakPolarHBondContact CB-O 3.38Å
328H96.4Very high90.8Very high74 Ų7471.4 Ų71.434%0.34338%0.378SS..EExtended strand (participates in β ladder)trans-106.8138-176.6-61.6-86000110.7F330 L422 S423 A425 P426H328-F330 HydrophobicContact CB-CD1 4.08Å; H328-F330 HydrophobicContact CB-CE1 4.18Å; H328-L422 CarbonylContact O-C 3.59Å; H328-L422 WeakPolarHBondContact O-CA 3.45Å; H328-S423 PolarHBondContact N-O 3.31Å; H328-S423 PolarHBondContact O-N 3.09Å; H328-A425 VanDerWaalsContact CD2-C 3.41Å; H328-P426 VanDerWaalsContact CD2-N 3.26Å
329A96.4Very high90.9Very high78 Ų7868.4 Ų68.465%0.64537%0.367SS*.EExtended strand (participates in β ladder)trans-108.9125.1170.200000109.8V421A329-V421 VanDerWaalsContact CA-O 3.31Å; A329-V421 WeakPolarHBondContact CA-O 3.47Å
330F97.4Very high91.2Very high28 Ų2869 Ų6912%0.12337%0.365CS..EExtended strand (participates in β ladder)trans-156.4161.3176.456.9-93.7000111.9H328 V332 V421 R427 L429H328-F330 HydrophobicContact CB-CD1 4.08Å; H328-F330 HydrophobicContact CB-CE1 4.18Å; F330-V332 HydrophobicContact CD2-CG2 3.91Å; F330-V332 HydrophobicContact CE2-CG2 3.67Å; F330-V421 HydrophobicContact CD2-CG2 4.17Å; F330-V421 HydrophobicContact CE2-CG2 3.87Å; F330-V421 HydrophobicContact CZ-CG2 4.09Å; F330-V421 PolarHBondContact N-O 3.06Å; F330-V421 PolarHBondContact O-N 2.97Å; F330-R427 HydrophobicContact CD1-CB 4.17Å; F330-R427 HydrophobicContact CD2-CB 3.86Å; F330-R427 HydrophobicContact CE1-CB 4.16Å; F330-R427 HydrophobicContact CE2-CB 3.85Å; F330-R427 HydrophobicContact CG-CB 4.02Å; F330-R427 HydrophobicContact CZ-CB 4.01Å; F330-L429 HydrophobicContact CE2-CD2 4.28Å; F330-L429 HydrophobicContact CE2-CG 4.32Å; F330-L429 HydrophobicContact CZ-CD2 3.98Å; F330-L429 HydrophobicContact CZ-CG 4.43Å
331D97.6Very high91.8Very high102 Ų10270.1 Ų70.155%0.54537%0.37SS..EExtended strand (participates in β ladder)trans-85.2141.2178.5-62.6-29.4000112V418 M419 T420D331-V418 HydrophobicContact CB-CB 4.38Å; D331-M419 CarbonylContact C-O 3.56Å; D331-M419 WeakPolarHBondContact CA-O 3.37Å; D331-T420 WeakPolarHBondContact OD1-CB 3.49Å; D331-T420 PolarHBondContact OD1-OG1 3.46Å
332V97.8Very high92.9Very high9 Ų966 Ų666%0.05536%0.356CS..EExtended strand (participates in β ladder)trans-124.8126.9176179.70000108F330 D336 V337 V418 M419 V421 L429F330-V332 HydrophobicContact CD2-CG2 3.91Å; F330-V332 HydrophobicContact CE2-CG2 3.67Å; V332-D336 HydrophobicContact CG1-CB 4.43Å; V332-V337 HydrophobicContact CG1-CG1 3.67Å; V332-V337 HydrophobicContact CG1-CG2 4.39Å; V332-V418 CarbonylContact O-C 3.58Å; V332-V418 WeakPolarHBondContact O-CA 3.34Å; V332-M419 HydrophobicContact CB-CE 4.05Å; V332-M419 HydrophobicContact CB-CG 4.17Å; V332-M419 HydrophobicContact CG1-CE 3.88Å; V332-M419 PolarHBondContact N-O 2.72Å; V332-M419 PolarHBondContact O-N 2.86Å; V332-V421 HydrophobicContact CG2-CG1 4.26Å; V332-V421 HydrophobicContact CG2-CG2 3.75Å; V332-L429 HydrophobicContact CG1-CD1 4.13Å; V332-L429 HydrophobicContact CG2-CD1 4.03Å; V332-L429 HydrophobicContact CG2-CG 4.31Å
333R97.5Very high93.9Very high139 Ų13962.5 Ų62.553%0.52532%0.32SS..EExtended strand (participates in β ladder)trans-71.3144.5176.8-63.7179.6-66.3-94-3.6110.2S335 D336 V418R333-S335 PolarHBondContact O-N 3.24Å; R333-D336 HydrophobicContact CB-CB 4.43Å; R333-D336 IonicContact CZ-OD1 3.39Å; R333-D336 IonicContact CZ-OD2 3.11Å; R333-D336 IonicContact NE-OD1 3Å; R333-D336 PolarHBondContact NE-OD1 3.06Å; R333-D336 IonicContact NE-OD2 3.15Å; R333-D336 PolarHBondContact NE-OD2 3.43Å; R333-D336 VanDerWaalsContact NE-OD2 3.15Å; R333-D336 VanDerWaalsContact NH2-CG 3.26Å; R333-D336 IonicContact NH2-OD1 2.72Å; R333-D336 PolarHBondContact NH2-OD1 2.9Å; R333-D336 IonicContact NH2-OD2 2.7Å; R333-D336 PolarHBondContact NH2-OD2 2.86Å; R333-D336 WeakPolarHBondContact O-CB 3.32Å; R333-D336 PolarHBondContact O-N 3.18Å; R333-V418 HydrophobicContact CG-CG1 4.02Å
334F97.1Very high93.9Very high18 Ų1861 Ų618%0.07931%0.314CS..G310 helixtrans-58.1-32.9175.6-64-10.4000112.4D336 V337 P370 V412 Q417 V418 M419F334-D336 VanDerWaalsContact C-N 3.26Å; F334-D336 PolarHBondContact O-N 3.45Å; F334-V337 VanDerWaalsContact O-O 3.07Å; F334-P370 HydrophobicContact CB-CB 4.27Å; F334-P370 HydrophobicContact CB-CG 4.02Å; F334-P370 HydrophobicContact CD1-CB 3.5Å; F334-P370 VanDerWaalsContact CD1-CB 3.5Å; F334-P370 HydrophobicContact CD1-CG 4.04Å; F334-P370 HydrophobicContact CD2-CB 3.75Å; F334-P370 HydrophobicContact CD2-CG 4.33Å; F334-P370 HydrophobicContact CE1-CB 3.67Å; F334-P370 HydrophobicContact CE2-CB 3.92Å; F334-P370 HydrophobicContact CG-CB 3.57Å; F334-P370 HydrophobicContact CG-CG 3.88Å; F334-P370 HydrophobicContact CZ-CB 3.9Å; F334-V412 HydrophobicContact CE1-CG1 4.02Å; F334-V412 HydrophobicContact CZ-CG1 3.59Å; F334-Q417 HydrophobicContact CD2-CB 3.89Å; F334-Q417 HydrophobicContact CD2-CG 4.37Å; F334-Q417 HydrophobicContact CE2-CB 4.29Å; F334-Q417 HydrophobicContact CG-CB 4.37Å; F334-Q417 WeakPolarHBondContact CG-O 3.42Å; F334-Q417 PolarHBondContact N-O 2.78Å; F334-V418 WeakPolarHBondContact CE1-O 3.43Å; F334-M419 HydrophobicContact CE1-CB 4.04Å; F334-M419 HydrophobicContact CE1-CG 4.44Å
335S96.3Very high93.1Very high101 Ų10162 Ų6271%0.70632%0.318SS*.G310 helixtrans-68.8-20.9176.8600000114.3R333 V337R333-S335 PolarHBondContact O-N 3.24Å; S335-V337 VanDerWaalsContact C-N 3.32Å
336D94.9Very high91.8Very high51 Ų5162.6 Ų62.627%0.27333%0.334SS..G310 helixtrans-85.4-8.6-174.8-63.2-8.9000112.2V332 R333 F334 H432V332-D336 HydrophobicContact CG1-CB 4.43Å; R333-D336 HydrophobicContact CB-CB 4.43Å; R333-D336 IonicContact CZ-OD1 3.39Å; R333-D336 IonicContact CZ-OD2 3.11Å; R333-D336 IonicContact NE-OD1 3Å; R333-D336 PolarHBondContact NE-OD1 3.06Å; R333-D336 IonicContact NE-OD2 3.15Å; R333-D336 PolarHBondContact NE-OD2 3.43Å; R333-D336 VanDerWaalsContact NE-OD2 3.15Å; R333-D336 VanDerWaalsContact NH2-CG 3.26Å; R333-D336 IonicContact NH2-OD1 2.72Å; R333-D336 PolarHBondContact NH2-OD1 2.9Å; R333-D336 IonicContact NH2-OD2 2.7Å; R333-D336 PolarHBondContact NH2-OD2 2.86Å; R333-D336 WeakPolarHBondContact O-CB 3.32Å; R333-D336 PolarHBondContact O-N 3.18Å; F334-D336 VanDerWaalsContact C-N 3.26Å; F334-D336 PolarHBondContact O-N 3.45Å; D336-H432 PolarHBondContact O-ND1 2.92Å
337V95.2Very high90.6Very high13 Ų1357 Ų578%0.07932%0.316CS..  trans-138.1157.7-174.8-63.40000112V332 F334 S335 I339 M419 L429 H432 L434V332-V337 HydrophobicContact CG1-CG1 3.67Å; V332-V337 HydrophobicContact CG1-CG2 4.39Å; F334-V337 VanDerWaalsContact O-O 3.07Å; S335-V337 VanDerWaalsContact C-N 3.32Å; V337-I339 HydrophobicContact CG2-CG1 4.35Å; V337-M419 HydrophobicContact CG1-CE 4.48Å; V337-M419 HydrophobicContact CG2-CE 3.7Å; V337-L429 HydrophobicContact CG1-CD1 3.98Å; V337-H432 CarbonylContact C-O 3.55Å; V337-H432 VanDerWaalsContact CA-O 3.26Å; V337-H432 WeakPolarHBondContact CA-O 3.42Å; V337-L434 HydrophobicContact CB-CD1 3.98Å; V337-L434 HydrophobicContact CB-CG 4.41Å; V337-L434 HydrophobicContact CG1-CD1 4Å; V337-L434 HydrophobicContact CG2-CD1 4.24Å
338R95.3Very high89.5Confident114 Ų11459.5 Ų59.543%0.4333%0.333SS..EExtended strand (participates in β ladder)trans-122.4126.1170-60.6174.6-139.8143.311.8108.2Y340 E386 H432 L434R338-Y340 HydrophobicContact CB-CD2 4.5Å; R338-Y340 HydrophobicContact CB-CE2 3.54Å; R338-E386 WeakPolarHBondContact CD-OE2 3.35Å; R338-E386 IonicContact CZ-OE2 2.67Å; R338-E386 IonicContact NH1-OE2 3.89Å; R338-E386 PolarHBondContact NH1-OE2 3.29Å; R338-H432 PolarHBondContact N-O 3.12Å; R338-L434 PolarHBondContact O-N 2.87Å
339I95.7Very high88.3Confident6 Ų661.3 Ų61.33%0.03135%0.345CS..EExtended strand (participates in β ladder)trans-110.2131.7-177.1-51178.6000108.3V337 V368 P370 L374 L379 M419 L434 I436V337-I339 HydrophobicContact CG2-CG1 4.35Å; I339-V368 HydrophobicContact CB-CB 4.19Å; I339-V368 HydrophobicContact CG2-CB 3.97Å; I339-V368 HydrophobicContact CG2-CG1 4.41Å; I339-V368 PolarHBondContact O-N 3.41Å; I339-P370 HydrophobicContact CD1-CG 4.12Å; I339-L374 HydrophobicContact CD1-CD1 3.52Å; I339-L379 HydrophobicContact CD1-CD1 4.35Å; I339-M419 HydrophobicContact CD1-SD 4.35Å; I339-L434 CarbonylContact C-O 3.59Å; I339-L434 WeakPolarHBondContact CA-O 3.39Å; I339-L434 HydrophobicContact CG1-CB 4.22Å; I339-L434 HydrophobicContact CG1-CD1 4.28Å; I339-I436 HydrophobicContact CG2-CB 4.2Å
340Y95Very high87.3Confident24 Ų2462.9 Ų62.99%0.09435%0.351CS..EExtended strand (participates in β ladder)trans-126.7149.8177.6-58.5-89.9000111.5R338 L365 V366 P367 E386 L398 T433 L434 L435 I436R338-Y340 HydrophobicContact CB-CD2 4.5Å; R338-Y340 HydrophobicContact CB-CE2 3.54Å; Y340-L365 HydrophobicContact CD1-CB 4.26Å; Y340-V366 CarbonylContact C-O 3.57Å; Y340-V366 WeakPolarHBondContact CA-O 3.27Å; Y340-P367 HydrophobicContact CD1-CB 4.29Å; Y340-P367 HydrophobicContact CE1-CB 4.14Å; Y340-E386 PolarHBondContact OH-OE1 3.23Å; Y340-E386 PolarHBondContact OH-OE2 2.87Å; Y340-L398 HydrophobicContact CD2-CD2 3.86Å; Y340-L398 HydrophobicContact CE2-CD2 4.41Å; Y340-L398 HydrophobicContact CG-CD2 4.23Å; Y340-T433 HydrophobicContact CD2-CG2 4.08Å; Y340-T433 HydrophobicContact CE2-CG2 4.02Å; Y340-L434 PolarHBondContact N-O 3.34Å; Y340-L435 WeakPolarHBondContact O-CA 3.32Å; Y340-I436 PolarHBondContact O-N 3.01Å
341K93.3Very high86Confident78 Ų7865.2 Ų65.234%0.33937%0.37SS..EExtended strand (participates in β ladder)trans-109.4136.5164.1-173.4166.6-173.8158.50109V366 V368 I436 D438K341-V366 PolarHBondContact N-O 3.18Å; K341-V366 PolarHBondContact O-N 3.44Å; K341-V368 HydrophobicContact CB-CG2 3.86Å; K341-I436 HydrophobicContact CB-CG2 3.65Å; K341-I436 HydrophobicContact CD-CG2 4.32Å; K341-I436 HydrophobicContact CG-CG2 3.99Å; K341-D438 IonicContact NZ-OD1 2.76Å; K341-D438 PolarHBondContact NZ-OD1 2.86Å; K341-D438 IonicContact NZ-OD2 4Å
342I92.1Very high84.8Confident18 Ų1861.8 Ų61.89%0.09235%0.352CS..EExtended strand (participates in β ladder)trans-88.1128.6173.4-54.2176.1000109.2L211 L365 L399 L435L211-I342 HydrophobicContact CD1-CD1 4.36Å; L211-I342 HydrophobicContact CD1-CG2 4.11Å; L211-I342 HydrophobicContact CD2-CB 4.15Å; L211-I342 HydrophobicContact CD2-CD1 4.09Å; L211-I342 HydrophobicContact CD2-CG2 3.73Å; L211-I342 HydrophobicContact CG-CG2 4.44Å; I342-L365 HydrophobicContact CG1-CD2 3.93Å; I342-L399 HydrophobicContact CB-CD2 4.21Å; I342-L399 HydrophobicContact CD1-CD2 3.62Å; I342-L399 HydrophobicContact CG1-CD2 3.71Å; I342-L399 HydrophobicContact CG2-CD2 3.48Å; I342-L399 VanDerWaalsContact CG2-CD2 3.48Å; I342-L435 HydrophobicContact CD1-CD1 4.4Å; I342-L435 HydrophobicContact CG1-CD2 4.38Å
343G87Confident83.7Confident11 Ų1165 Ų6511%0.11337%0.373CS..SBendtrans91120.9-177.600000111.2Q362 K364G343-Q362 VanDerWaalsContact CA-O 3.22Å; G343-Q362 WeakPolarHBondContact CA-O 3.4Å; G343-K364 PolarHBondContact N-O 2.9Å
344A77.4Confident82.2Confident28 Ų2867.2 Ų67.223%0.23139%0.394CS..PPolyproline II helixtrans-72.7152.517200000110.3S346 T361 V366A344-S346 PolarHBondContact O-N 3.39Å; A344-T361 PolarHBondContact N-O 2.92Å; A344-V366 HydrophobicContact CB-CG2 3.95Å
345P70.4Confident80.8Confident98 Ų9870.4 Ų70.464%0.63643%0.432SS*.PPolyproline II helixtrans-53.6140.3172.1-21.431.6000110.6I347P345-I347 PolarHBondContact O-N 3.31Å; P345-I347 VanDerWaalsContact O-N 3.13Å
346S66.7Low79.6Confident111 Ų11169.1 Ų69.178%0.77642%0.416SS*.PPolyproline II helixtrans-60.6117.9171.454.70000109A344A344-S346 PolarHBondContact O-N 3.39Å
347I67.7Low78.5Confident67 Ų6769 Ų6934%0.34442%0.419SS..  trans-111.2145.9173.850.5173.4000108.5P345 C351 L352P345-I347 PolarHBondContact O-N 3.31Å; P345-I347 VanDerWaalsContact O-N 3.13Å; I347-C351 HydrophobicContact CB-CB 4.31Å; I347-C351 HydrophobicContact CD1-CB 4.41Å; I347-L352 HydrophobicContact CD1-CD2 3.84Å; I347-L352 HydrophobicContact CD1-CG 4.47Å; I347-L352 HydrophobicContact CG1-CD2 3.88Å; I347-L352 HydrophobicContact CG1-CG 4.42Å
348P72.9Confident77.2Confident82 Ų8272.3 Ų72.353%0.53243%0.433SS..  trans-54.9150176.4-24.433.6000111.5S350 C351P348-S350 PolarHBondContact O-N 2.8Å; P348-S350 VanDerWaalsContact O-N 3.08Å; P348-C351 WeakPolarHBondContact O-CA 3.18Å; P348-C351 WeakPolarHBondContact O-CB 3.31Å; P348-C351 PolarHBondContact O-N 3.19Å
349D69.7Low75.9Confident112 Ų11270.8 Ų70.860%0.59943%0.434SS*.G310 helixtrans-57.3-30-178.6-66.8-19.5000112.6C351 L352 Q358D349-C351 PolarHBondContact O-N 3.03Å; D349-L352 PolarHBondContact O-N 2.88Å; D349-Q358 WeakPolarHBondContact OD1-CG 3.26Å; D349-Q358 PolarHBondContact OD1-NE2 2.96Å
350S75.6Confident74.8Confident110 Ų11074.7 Ų74.777%0.76946%0.455SS*.G310 helixtrans-63.4-18.5174.658.80000114.3P348P348-S350 PolarHBondContact O-N 2.8Å; P348-S350 VanDerWaalsContact O-N 3.08Å
351C71Confident74.1Confident78 Ų7874.2 Ų74.253%0.52746%0.455SS..G310 helixtrans-104.60.5-178.5-59.70000112.6I347 P348 D349I347-C351 HydrophobicContact CB-CB 4.31Å; I347-C351 HydrophobicContact CD1-CB 4.41Å; P348-C351 WeakPolarHBondContact O-CA 3.18Å; P348-C351 WeakPolarHBondContact O-CB 3.31Å; P348-C351 PolarHBondContact O-N 3.19Å; D349-C351 PolarHBondContact O-N 3.03Å
352L73.4Confident73.6Confident29 Ų2973.1 Ų73.115%0.15245%0.451CS..SBendtrans-77.9139.5175.7-71170000110.6I347 D349 Q358 T361I347-L352 HydrophobicContact CD1-CD2 3.84Å; I347-L352 HydrophobicContact CD1-CG 4.47Å; I347-L352 HydrophobicContact CG1-CD2 3.88Å; I347-L352 HydrophobicContact CG1-CG 4.42Å; D349-L352 PolarHBondContact O-N 2.88Å; L352-Q358 HydrophobicContact CD1-CG 3.84Å; L352-T361 HydrophobicContact CD2-CG2 4.11Å
353P73.3Confident73.5Confident77 Ų7775 Ų7550%0.546%0.46SS..PPolyproline II helixtrans-56.9147.4170.3-23.834.2000111.8G355 M356P353-G355 PolarHBondContact O-N 2.98Å; P353-G355 VanDerWaalsContact O-N 3.13Å; P353-M356 HydrophobicContact CB-CG 4.2Å; P353-M356 HydrophobicContact CB-SD 4.13Å; P353-M356 HydrophobicContact CG-CG 4.46Å; P353-M356 HydrophobicContact CG-SD 3.83Å; P353-M356 PolarHBondContact O-N 2.89Å
354L67Low73.5Confident186 Ų18679.8 Ų79.897%0.97448%0.478SS*.THydrogen-bonded Turntrans-51.2119.8176-82.2149.8000110.8
355G68.2Low74Confident85 Ų8581.1 Ų81.188%0.87648%0.481SS*.THydrogen-bonded Turntrans90.4-1.3179.300000115.8P353P353-G355 PolarHBondContact O-N 2.98Å; P353-G355 VanDerWaalsContact O-N 3.13Å
356M70.4Confident75Confident73 Ų7378.5 Ų78.536%0.3646%0.463SS..  trans-95.4139.5172-68.8-165.875.600111.7P353 D360 T361P353-M356 HydrophobicContact CB-CG 4.2Å; P353-M356 HydrophobicContact CB-SD 4.13Å; P353-M356 HydrophobicContact CG-CG 4.46Å; P353-M356 HydrophobicContact CG-SD 3.83Å; P353-M356 PolarHBondContact O-N 2.89Å; M356-D360 HydrophobicContact CE-CB 3.9Å; M356-T361 HydrophobicContact CE-CG2 4.37Å
357S71.9Confident76.2Confident49 Ų4977.7 Ų77.734%0.34346%0.456SS..  trans-98.1158.5168.568.20000110.9D359 D360S357-D359 PolarHBondContact O-N 2.96Å; S357-D359 VanDerWaalsContact O-N 3.09Å; S357-D359 VanDerWaalsContact OG-CB 3.25Å; S357-D359 WeakPolarHBondContact OG-CB 3.34Å; S357-D359 PolarHBondContact OG-N 2.67Å; S357-D360 WeakPolarHBondContact CB-OD2 3.25Å; S357-D360 PolarHBondContact N-OD2 2.87Å; S357-D360 WeakPolarHBondContact O-CB 3.37Å; S357-D360 PolarHBondContact O-N 2.78Å; S357-D360 PolarHBondContact OG-N 2.95Å; S357-D360 PolarHBondContact OG-OD2 2.84Å
358Q67.5Low77.5Confident82 Ų8276.3 Ų76.338%0.38345%0.45SS..Hα-helixtrans-53.9-29.4169.1-68.2-169.92.300111.9D349 L352 D360 T361D349-Q358 WeakPolarHBondContact OD1-CG 3.26Å; D349-Q358 PolarHBondContact OD1-NE2 2.96Å; L352-Q358 HydrophobicContact CD1-CG 3.84Å; Q358-D360 VanDerWaalsContact C-N 3.27Å; Q358-D360 PolarHBondContact O-N 3.04Å; Q358-T361 PolarHBondContact O-N 2.85Å; Q358-T361 PolarHBondContact O-OG1 2.81Å
359D68.4Low78.5Confident83 Ų8378.5 Ų78.544%0.44446%0.462SS..Hα-helixtrans-67.6-24.7-178.9-102.818.4000113.4K210 S357K210-D359 WeakPolarHBondContact CE-OD1 3.44Å; K210-D359 VanDerWaalsContact CE-OD2 3.23Å; K210-D359 WeakPolarHBondContact CE-OD2 3.43Å; K210-D359 PolarHBondContact NZ-O 2.85Å; K210-D359 IonicContact NZ-OD1 2.7Å; K210-D359 PolarHBondContact NZ-OD1 3.43Å; K210-D359 IonicContact NZ-OD2 3.99Å; K210-D359 PolarHBondContact NZ-OD2 2.96Å; S357-D359 PolarHBondContact O-N 2.96Å; S357-D359 VanDerWaalsContact O-N 3.09Å; S357-D359 VanDerWaalsContact OG-CB 3.25Å; S357-D359 WeakPolarHBondContact OG-CB 3.34Å; S357-D359 PolarHBondContact OG-N 2.67Å
360D71Confident79.7Confident88 Ų8874.6 Ų74.647%0.47144%0.443SS..Hα-helixtrans-81.7-17.4176.9-60.6-49.9000112.6M356 S357 Q358M356-D360 HydrophobicContact CE-CB 3.9Å; S357-D360 WeakPolarHBondContact CB-OD2 3.25Å; S357-D360 PolarHBondContact N-OD2 2.87Å; S357-D360 WeakPolarHBondContact O-CB 3.37Å; S357-D360 PolarHBondContact O-N 2.78Å; S357-D360 PolarHBondContact OG-N 2.95Å; S357-D360 PolarHBondContact OG-OD2 2.84Å; Q358-D360 VanDerWaalsContact C-N 3.27Å; Q358-D360 PolarHBondContact O-N 3.04Å
361T80.4Confident80.5Confident14 Ų1470.3 Ų70.39%0.08642%0.416CS..Hα-helixtrans-88.6-19.4-178.572.30000112.9A344 L352 M356 Q358 L363 K364A344-T361 PolarHBondContact N-O 2.92Å; L352-T361 HydrophobicContact CD2-CG2 4.11Å; M356-T361 HydrophobicContact CE-CG2 4.37Å; Q358-T361 PolarHBondContact O-N 2.85Å; Q358-T361 PolarHBondContact O-OG1 2.81Å; T361-L363 VanDerWaalsContact C-N 3.32Å; T361-L363 PolarHBondContact O-N 3.21Å; T361-K364 WeakPolarHBondContact O-CB 3.49Å; T361-K364 PolarHBondContact O-N 3.17Å; T361-K364 VanDerWaalsContact O-N 3.17Å
362Q84.6Confident81.6Confident54 Ų5475.2 Ų75.225%0.25242%0.423SS..THydrogen-bonded Turntrans-66.2-29-174.9-69.4-179.4-6.400113.8N208 K210 G343N208-Q362 PolarHBondContact ND2-O 3.34Å; K210-Q362 HydrophobicContact CD-CB 4.35Å; G343-Q362 VanDerWaalsContact CA-O 3.22Å; G343-Q362 WeakPolarHBondContact CA-O 3.4Å
363L88.7Confident82.6Confident57 Ų5780.2 Ų80.230%0.29845%0.45SS..THydrogen-bonded Turntrans-102.34.4177.3-60.5-177.6000112.7K210 L211 T361 L399K210-L363 HydrophobicContact CB-CD2 4.24Å; L211-L363 HydrophobicContact CB-CD2 3.94Å; L211-L363 HydrophobicContact CD1-CD2 4.2Å; T361-L363 VanDerWaalsContact C-N 3.32Å; T361-L363 PolarHBondContact O-N 3.21Å; L363-L399 HydrophobicContact CB-CD1 4.08Å; L363-L399 VanDerWaalsContact O-CD1 3.29Å; L363-L399 WeakPolarHBondContact O-CD1 3.22Å
364K87.3Confident83.7Confident113 Ų11376.8 Ų76.849%0.49143%0.428SS..  trans-71.5135.9-178-171175-179.9178.30110.6G343 T361G343-K364 PolarHBondContact N-O 2.9Å; T361-K364 WeakPolarHBondContact O-CB 3.49Å; T361-K364 PolarHBondContact O-N 3.17Å; T361-K364 VanDerWaalsContact O-N 3.17Å
365L88.8Confident85.1Confident55 Ų5569.5 Ų69.529%0.28839%0.391SS..EExtended strand (participates in β ladder)trans-80.8122.7168.3-67.2166000109.2Y340 I342 L398 L399Y340-L365 HydrophobicContact CD1-CB 4.26Å; I342-L365 HydrophobicContact CG1-CD2 3.93Å; L365-L398 HydrophobicContact CD1-CB 3.84Å; L365-L398 HydrophobicContact CD1-CD2 4Å; L365-L398 HydrophobicContact CD1-CG 4.42Å; L365-L398 HydrophobicContact CD2-CD2 3.97Å; L365-L398 HydrophobicContact CD2-CG 4.41Å; L365-L399 HydrophobicContact CD2-CD2 3.75Å; L365-L399 HydrophobicContact CG-CD2 4.16Å
366V90.6Very high86.4Confident43 Ų4368.4 Ų68.426%0.26136%0.363SS..EExtended strand (participates in β ladder)trans-110.7118.1177.4-178.40000108.4Y340 K341 A344Y340-V366 CarbonylContact C-O 3.57Å; Y340-V366 WeakPolarHBondContact CA-O 3.27Å; K341-V366 PolarHBondContact N-O 3.18Å; K341-V366 PolarHBondContact O-N 3.44Å; A344-V366 HydrophobicContact CB-CG2 3.95Å
367P92.5Very high87.7Confident95 Ų9565.7 Ų65.762%0.61735%0.349SS*.EExtended strand (participates in β ladder)trans-64138.8175.427.6-33.6000110Y340Y340-P367 HydrophobicContact CD1-CB 4.29Å; Y340-P367 HydrophobicContact CE1-CB 4.14Å
368V94.1Very high89Confident38 Ų3863.4 Ų63.423%0.2333%0.333CS..  trans-111.1114.3179.6179.60000108.1I339 K341 P370 L374 I436I339-V368 HydrophobicContact CB-CB 4.19Å; I339-V368 HydrophobicContact CG2-CB 3.97Å; I339-V368 HydrophobicContact CG2-CG1 4.41Å; I339-V368 PolarHBondContact O-N 3.41Å; K341-V368 HydrophobicContact CB-CG2 3.86Å; V368-P370 WeakPolarHBondContact O-CD 3.33Å; V368-L374 HydrophobicContact CG1-CD2 4.05Å; V368-I436 HydrophobicContact CG2-CG2 4.12Å
369T93.8Very high90.5Very high128 Ų12859.5 Ų59.579%0.78532%0.315SS*.  trans-68.6125.6173.6-54.70000109.3G371T369-G371 PolarHBondContact O-N 2.84Å
370P94.3Very high91.9Very high30 Ų3055.5 Ų55.520%0.19529%0.294CS..  trans-59.4129.6177.1-24.934.9000112.5F334 I339 V368 L374F334-P370 HydrophobicContact CB-CB 4.27Å; F334-P370 HydrophobicContact CB-CG 4.02Å; F334-P370 HydrophobicContact CD1-CB 3.5Å; F334-P370 VanDerWaalsContact CD1-CB 3.5Å; F334-P370 HydrophobicContact CD1-CG 4.04Å; F334-P370 HydrophobicContact CD2-CB 3.75Å; F334-P370 HydrophobicContact CD2-CG 4.33Å; F334-P370 HydrophobicContact CE1-CB 3.67Å; F334-P370 HydrophobicContact CE2-CB 3.92Å; F334-P370 HydrophobicContact CG-CB 3.57Å; F334-P370 HydrophobicContact CG-CG 3.88Å; F334-P370 HydrophobicContact CZ-CB 3.9Å; I339-P370 HydrophobicContact CD1-CG 4.12Å; V368-P370 WeakPolarHBondContact O-CD 3.33Å; P370-L374 HydrophobicContact CB-CD1 3.87Å
371G93.3Very high93.1Very high19 Ų1951.5 Ų51.520%0.19627%0.272CS..  trans-159.5176.2-177.700000111.2T369 D373 L374T369-G371 PolarHBondContact O-N 2.84Å; G371-D373 PolarHBondContact O-N 3.45Å; G371-L374 WeakPolarHBondContact O-CB 3.37Å; G371-L374 PolarHBondContact O-N 2.81Å
372R94.1Very high93.8Very high181 Ų18150.8 Ų50.868%0.68327%0.268SS*.G310 helixtrans-56.5-27.7-176.1-65.7-175.8179.7-165.9-2113.1L374 T375 T414R372-L374 PolarHBondContact O-N 3.24Å; R372-T375 WeakPolarHBondContact O-CB 3.38Å; R372-T375 PolarHBondContact O-N 2.92Å; R372-T375 VanDerWaalsContact O-N 3.09Å; R372-T375 PolarHBondContact O-OG1 3.03Å; R372-T414 HydrophobicContact CG-CG2 4.15Å
373D94.1Very high94.1Very high135 Ų13550.1 Ų50.172%0.72227%0.269SS*.G310 helixtrans-66.6-16.1178.2-61.8-30.9000114G371 T375 H377G371-D373 PolarHBondContact O-N 3.45Å; D373-T375 PolarHBondContact O-N 3.07Å; D373-H377 PolarHBondContact O-CD2 3.32Å; D373-H377 PolarHBondContact O-NE2 3.48Å
374L95.8Very high93.8Very high5 Ų548.4 Ų48.43%0.02626%0.262CS..G310 helixtrans-71.5-16.6172.4-70.9-176.5000113.1I339 V368 P370 G371 R372 H376 H377 V409 V412 I436I339-L374 HydrophobicContact CD1-CD1 3.52Å; V368-L374 HydrophobicContact CG1-CD2 4.05Å; P370-L374 HydrophobicContact CB-CD1 3.87Å; G371-L374 WeakPolarHBondContact O-CB 3.37Å; G371-L374 PolarHBondContact O-N 2.81Å; R372-L374 PolarHBondContact O-N 3.24Å; L374-H376 PolarHBondContact O-N 2.9Å; L374-H377 WeakPolarHBondContact O-CB 3.37Å; L374-H377 PolarHBondContact O-N 3.47Å; L374-V409 HydrophobicContact CB-CG1 4.37Å; L374-V409 WeakPolarHBondContact O-CB 3.27Å; L374-V412 HydrophobicContact CB-CG2 4.17Å; L374-I436 HydrophobicContact CD2-CD1 3.5Å; L374-I436 HydrophobicContact CD2-CG1 4.43Å
375T96.6Very high93Very high32 Ų3244.5 Ų44.520%0.19625%0.247CC..THydrogen-bonded Turntrans-57.5132.7-176.5-47.70000110.5R372 D373 H377R372-T375 WeakPolarHBondContact O-CB 3.38Å; R372-T375 PolarHBondContact O-N 2.92Å; R372-T375 VanDerWaalsContact O-N 3.09Å; R372-T375 PolarHBondContact O-OG1 3.03Å; D373-T375 PolarHBondContact O-N 3.07Å; T375-H377 PolarHBondContact O-N 3.06Å
376H97.1Very high91.7Very high62 Ų6246.4 Ų46.429%0.28725%0.254SS..THydrogen-bonded Turntrans68.30.8-176.8-50-47000115.9L374 V409 R440 F441 I442L374-H376 PolarHBondContact O-N 2.9Å; H376-V409 WeakPolarHBondContact CA-O 3.5Å; H376-V409 PolarHBondContact N-O 2.79Å; H376-R440 HydrophobicContact CB-CB 4.37Å; H376-R440 CarbonylContact O-C 3.5Å; H376-R440 WeakPolarHBondContact O-CA 3.41Å; H376-R440 WeakPolarHBondContact O-CB 3.46Å; H376-F441 WeakPolarHBondContact CB-O 3.46Å; H376-F441 PolarHBondContact O-N 3.47Å; H376-I442 HydrophobicContact CB-CG1 4.22Å
377H97.9Very high90Very high16 Ų1648.2 Ų48.27%0.07428%0.282CS..EExtended strand (participates in β ladder)trans-69.8138.5173.6-82.8-92.3000111.4D373 L374 T375 L379 V409 I436 M437 R440D373-H377 PolarHBondContact O-CD2 3.32Å; D373-H377 PolarHBondContact O-NE2 3.48Å; L374-H377 WeakPolarHBondContact O-CB 3.37Å; L374-H377 PolarHBondContact O-N 3.47Å; T375-H377 PolarHBondContact O-N 3.06Å; H377-L379 HydrophobicContact CB-CD2 4.35Å; H377-V409 PolarHBondContact O-N 3.23Å; H377-V409 VanDerWaalsContact O-N 3.1Å; H377-I436 HydrophobicContact CB-CD1 4.36Å; H377-I436 HydrophobicContact CB-CG1 4.15Å; H377-M437 PolarHBondContact CE1-O 2.85Å; H377-M437 PolarHBondContact ND1-O 2.77Å; H377-R440 PolarHBondContact NE2-NE 2.72Å; H377-R440 PolarHBondContact NE2-NH2 3.11Å
378V98.3Very high88Confident1 Ų149 Ų491%0.00628%0.277CS..EExtended strand (participates in β ladder)trans-76.6131163.8-171.90000107.8I313 F406 I407 V408 M437 I439 F441I313-V378 HydrophobicContact CD1-CG2 4.22Å; V378-F406 HydrophobicContact CG1-CB 4.11Å; V378-F406 HydrophobicContact CG1-CD1 4.21Å; V378-I407 WeakPolarHBondContact CA-O 3.4Å; V378-V408 HydrophobicContact CG2-CG2 4.08Å; V378-M437 HydrophobicContact CB-CB 4.39Å; V378-M437 HydrophobicContact CB-CG 4.4Å; V378-M437 HydrophobicContact CB-SD 3.87Å; V378-M437 HydrophobicContact CG1-SD 3.57Å; V378-M437 VanDerWaalsContact CG1-SD 3.57Å; V378-M437 VanDerWaalsContact O-CB 3.31Å; V378-M437 WeakPolarHBondContact O-CB 3.43Å; V378-M437 WeakPolarHBondContact O-CG 3.38Å; V378-M437 PolarHBondContact O-N 2.81Å; V378-I439 HydrophobicContact CG2-CB 4.49Å; V378-I439 HydrophobicContact CG2-CG2 3.99Å; V378-I439 PolarHBondContact N-O 3.47Å; V378-F441 HydrophobicContact CG2-CB 4.17Å
379L98.2Very high85.6Confident0 Ų055.1 Ų55.10%030%0.303CS..EExtended strand (participates in β ladder)trans-114.7134.2174-51.6-178000109.2I339 H377 F406 I407 V409 L434 L435 I436I339-L379 HydrophobicContact CD1-CD1 4.35Å; H377-L379 HydrophobicContact CB-CD2 4.35Å; L379-F406 CarbonylContact O-C 3.51Å; L379-F406 VanDerWaalsContact O-CA 3.3Å; L379-F406 WeakPolarHBondContact O-CA 3.33Å; L379-I407 HydrophobicContact CB-CD1 4.42Å; L379-I407 HydrophobicContact CB-CG1 3.82Å; L379-I407 HydrophobicContact CD1-CD1 4.35Å; L379-I407 HydrophobicContact CD1-CG1 4.44Å; L379-I407 HydrophobicContact CG-CG1 4.47Å; L379-I407 PolarHBondContact N-O 2.83Å; L379-I407 PolarHBondContact O-N 2.73Å; L379-V409 HydrophobicContact CD1-CG2 3.58Å; L379-V409 HydrophobicContact CG-CG2 4.03Å; L379-L434 HydrophobicContact CD1-CD1 3.85Å; L379-L435 CarbonylContact C-O 3.57Å; L379-L435 WeakPolarHBondContact CA-O 3.38Å; L379-I436 HydrophobicContact CD2-CB 3.85Å; L379-I436 HydrophobicContact CD2-CG1 3.76Å
380S97.9Very high83.3Confident0 Ų053.4 Ų53.40%029%0.293CS..EExtended strand (participates in β ladder)trans-86.7133.6169.5-44.40000110.1H199 F406 L434 L435H199-S380 PolarHBondContact ND1-OG 3.48Å; S380-F406 WeakPolarHBondContact OG-CD1 3.48Å; S380-F406 VanDerWaalsContact OG-CE1 3.22Å; S380-F406 WeakPolarHBondContact OG-CE1 3.27Å; S380-L434 CarbonylContact O-C 3.54Å; S380-L434 WeakPolarHBondContact O-CA 3.15Å; S380-L435 PolarHBondContact N-O 3.43Å; S380-L435 PolarHBondContact O-N 3.07Å
381V97Very high80.5Confident3 Ų357 Ų572%0.01833%0.325CS..EExtended strand (participates in β ladder)trans-89.8107175.6-174.30000107.8V403 C404 G405 I407 P430 R431 L434V381-V403 CarbonylContact O-C 3.5Å; V381-V403 WeakPolarHBondContact O-CA 3.13Å; V381-V403 WeakPolarHBondContact O-CB 3.45Å; V381-C404 PolarHBondContact O-N 2.94Å; V381-G405 PolarHBondContact N-O 3.25Å; V381-I407 HydrophobicContact CG2-CD1 4.47Å; V381-I407 HydrophobicContact CG2-CG1 4.37Å; V381-I407 HydrophobicContact CG2-CG2 4.03Å; V381-P430 HydrophobicContact CG1-CG 4.04Å; V381-R431 HydrophobicContact CG1-CB 3.79Å; V381-L434 HydrophobicContact CB-CD2 4.19Å; V381-L434 HydrophobicContact CG1-CD2 4.19Å; V381-L434 HydrophobicContact CG2-CD2 3.82Å
382S94.9Very high78.1Confident0 Ų059.8 Ų59.80%035%0.353CS..EExtended strand (participates in β ladder)trans-65.9142-179.11740000110.9A384 L398 R431 T433S382-A384 VanDerWaalsContact C-N 3.3Å; S382-A384 PolarHBondContact OG-N 2.81Å; S382-A384 PolarHBondContact OG-O 2.76Å; S382-L398 VanDerWaalsContact CB-CD1 3.48Å; S382-L398 WeakPolarHBondContact OG-CD1 3.31Å; S382-R431 VanDerWaalsContact O-CB 3.25Å; S382-R431 WeakPolarHBondContact O-CB 3.3Å; S382-R431 VanDerWaalsContact O-CG 3.26Å; S382-R431 WeakPolarHBondContact O-CG 3.31Å; S382-T433 WeakPolarHBondContact CB-O 3.37Å; S382-T433 PolarHBondContact N-O 3.2Å
383C90.5Very high75.3Confident40 Ų4054.8 Ų54.827%0.2736%0.358SS..SBendtrans-80.6-9.8170.5-670000114.1P402 C404C383-P402 WeakPolarHBondContact CB-O 3.37Å; C383-P402 PolarHBondContact N-O 2.98Å; C383-C404 WeakPolarHBondContact CA-SG 3.47Å; C383-C404 WeakPolarHBondContact CB-SG 3.13Å; C383-C404 WeakPolarHBondContact SG-CA 3.35Å; C383-C404 WeakPolarHBondContact SG-CB 3.41Å; C383-C404 PolarHBondContact SG-N 3.1Å; C383-C404 CovalentContact SG-SG 2.07Å; C383-C404 PolarHBondContact SG-SG 2.67Å
384A83Confident72.6Confident20 Ų2053 Ų5317%0.16535%0.352CS..  trans-104134.9172.600000110.5S382 S401S382-A384 VanDerWaalsContact C-N 3.3Å; S382-A384 PolarHBondContact OG-N 2.81Å; S382-A384 PolarHBondContact OG-O 2.76Å; A384-S401 WeakPolarHBondContact CB-OG 3.43Å
385D70.4Confident70.3Confident31 Ų3163.4 Ų63.417%0.16639%0.391CS..  trans-95.3148.2166.2-69.5-50.9000110.5G387 E388 R431 T433D385-G387 PolarHBondContact O-N 3.28Å; D385-E388 HydrophobicContact CB-CG 4.22Å; D385-E388 PolarHBondContact O-N 3.21Å; D385-R431 WeakPolarHBondContact OD2-CD 3.27Å; D385-R431 IonicContact OD2-CZ 2.73Å; D385-R431 IonicContact OD2-NE 3.7Å; D385-R431 IonicContact OD2-NH1 3.31Å; D385-R431 PolarHBondContact OD2-NH1 3.15Å; D385-T433 PolarHBondContact OD1-OG1 3.24Å
386E61.2Low68.5Low95 Ų9564.6 Ų64.644%0.44439%0.392SS..THydrogen-bonded Turntrans-59.5125.5175.2-70.3-179.8140.800110.6R338 Y340R338-E386 WeakPolarHBondContact CD-OE2 3.35Å; R338-E386 IonicContact CZ-OE2 2.67Å; R338-E386 IonicContact NH1-OE2 3.89Å; R338-E386 PolarHBondContact NH1-OE2 3.29Å; Y340-E386 PolarHBondContact OH-OE1 3.23Å; Y340-E386 PolarHBondContact OH-OE2 2.87Å
387G55.8Low67.4Low81 Ų8163.4 Ų63.484%0.83540%0.397SS*.THydrogen-bonded Turntrans92.7-1.7175.400000115.3D385 E389D385-G387 PolarHBondContact O-N 3.28Å; G387-E389 PolarHBondContact O-N 2.79Å
388E50.7Low66.6Low111 Ų11163.5 Ų63.552%0.51940%0.398SS..PPolyproline II helixtrans-72.6117.9171.5-78.5-170.2149.200110.8D385 V390 R431D385-E388 HydrophobicContact CB-CG 4.22Å; D385-E388 PolarHBondContact O-N 3.21Å; E388-V390 PolarHBondContact O-N 2.98Å; E388-R431 IonicContact OE1-NH1 2.72Å; E388-R431 PolarHBondContact OE1-NH1 2.94Å; E388-R431 IonicContact OE2-CZ 3.9Å; E388-R431 IonicContact OE2-NH1 2.96Å; E388-R431 PolarHBondContact OE2-NH1 3.37Å
389E43.9Very low66Low168 Ų16865 Ų6579%0.78541%0.406SS*.PPolyproline II helixtrans-72.4116.8165.9-66.6-163.2155.200109.1G387 A391G387-E389 PolarHBondContact O-N 2.79Å; E389-A391 PolarHBondContact O-N 2.81Å
390V44.2Very low65.5Low92 Ų9266.9 Ų66.956%0.55841%0.414SS*.PPolyproline II helixtrans-74.5125.2170.2-1740000108.4E388 G392E388-V390 PolarHBondContact O-N 2.98Å; V390-G392 PolarHBondContact O-N 3.38Å; V390-G392 VanDerWaalsContact O-N 3.08Å
391A34.9Very low65.1Low105 Ų10567.5 Ų67.587%0.86842%0.419SS*.THydrogen-bonded Turntrans-56.1113.5172.800000109.8E389E389-A391 PolarHBondContact O-N 2.81Å
392G44.3Very low65Low77 Ų7769.3 Ų69.379%0.79443%0.431SS*.THydrogen-bonded Turntrans133-0.9-176.700000115.9V390 V394V390-G392 PolarHBondContact O-N 3.38Å; V390-G392 VanDerWaalsContact O-N 3.08Å; G392-V394 VanDerWaalsContact C-N 3.35Å; G392-V394 PolarHBondContact O-N 3.18Å
393G34.8Very low65.1Low77 Ų7770 Ų7079%0.79444%0.435SS*.SBendtrans81.8-0.8164.300000116.7
394V38.2Very low65.2Low98 Ų9871.3 Ų71.359%0.59444%0.444SS*.  trans-106.3110.2172-175.70000109.2G392 R396G392-V394 VanDerWaalsContact C-N 3.35Å; G392-V394 PolarHBondContact O-N 3.18Å; V394-R396 PolarHBondContact O-N 2.86Å
395R47.2Very low65.9Low222 Ų22270.8 Ų70.884%0.83844%0.44SS*.  trans-69.199.3171.8-68.9-178.5-176.3155.21.1109G397R395-G397 PolarHBondContact O-N 3.04Å
396R57.8Low67.2Low57 Ų5769.5 Ų69.522%0.21543%0.433CS..  trans-80.3113.3164.4-73.8-169.7175.1-1521.8108.5E221 V394 E400E221-R396 IonicContact OE1-CZ 3.34Å; E221-R396 IonicContact OE1-NH2 3.93Å; E221-R396 PolarHBondContact OE1-NH2 3.49Å; E221-R396 IonicContact OE2-NH2 3.71Å; E221-R396 PolarHBondContact OE2-NH2 2.7Å; V394-R396 PolarHBondContact O-N 2.86Å; R396-E400 HydrophobicContact CB-CB 4.22Å; R396-E400 HydrophobicContact CG-CB 4.45Å
397G73.6Confident68.9Low38 Ų3865.1 Ų65.139%0.39241%0.412SS..  trans-66.4164.8176.700000111.2R395 L399 E400 S401R395-G397 PolarHBondContact O-N 3.04Å; G397-L399 PolarHBondContact O-N 3.46Å; G397-E400 PolarHBondContact O-N 3.1Å; G397-S401 PolarHBondContact O-N 3.42Å; G397-S401 PolarHBondContact O-OG 2.99Å
398L82.8Confident71Confident18 Ų1861.3 Ų61.39%0.09437%0.373CS..G310 helixtrans-50.8-28.1179.2-176.160000113.9Y340 L365 S382 E400 T433 L435Y340-L398 HydrophobicContact CD2-CD2 3.86Å; Y340-L398 HydrophobicContact CE2-CD2 4.41Å; Y340-L398 HydrophobicContact CG-CD2 4.23Å; L365-L398 HydrophobicContact CD1-CB 3.84Å; L365-L398 HydrophobicContact CD1-CD2 4Å; L365-L398 HydrophobicContact CD1-CG 4.42Å; L365-L398 HydrophobicContact CD2-CD2 3.97Å; L365-L398 HydrophobicContact CD2-CG 4.41Å; S382-L398 VanDerWaalsContact CB-CD1 3.48Å; S382-L398 WeakPolarHBondContact OG-CD1 3.31Å; L398-E400 VanDerWaalsContact C-N 3.33Å; L398-T433 HydrophobicContact CD1-CG2 3.61Å; L398-T433 HydrophobicContact CD2-CG2 3.68Å; L398-T433 HydrophobicContact CG-CG2 4.33Å; L398-L435 HydrophobicContact CD2-CD2 3.8Å; L398-L435 HydrophobicContact CG-CD2 4.04Å
399L85.2Confident73.2Confident32 Ų3256 Ų5617%0.16835%0.348CS..G310 helixtrans-66.8-30176.1-55.7173.8000113.9L215 I342 L363 L365 G397L215-L399 VanDerWaalsContact CD2-O 3.24Å; L215-L399 WeakPolarHBondContact CD2-O 3.49Å; I342-L399 HydrophobicContact CB-CD2 4.21Å; I342-L399 HydrophobicContact CD1-CD2 3.62Å; I342-L399 HydrophobicContact CG1-CD2 3.71Å; I342-L399 HydrophobicContact CG2-CD2 3.48Å; I342-L399 VanDerWaalsContact CG2-CD2 3.48Å; L363-L399 HydrophobicContact CB-CD1 4.08Å; L363-L399 VanDerWaalsContact O-CD1 3.29Å; L363-L399 WeakPolarHBondContact O-CD1 3.22Å; L365-L399 HydrophobicContact CD2-CD2 3.75Å; L365-L399 HydrophobicContact CG-CD2 4.16Å; G397-L399 PolarHBondContact O-N 3.46Å
400E86.4Confident75.7Confident40 Ų4050 Ų5019%0.18732%0.323CS..G310 helixtrans-106.75.2-171.5-56.3175.917000112.1Y198 K214 R396 G397 L398Y198-E400 VanDerWaalsContact CE1-O 3.23Å; Y198-E400 WeakPolarHBondContact CE1-O 3.38Å; K214-E400 WeakPolarHBondContact CE-OE1 3.11Å; K214-E400 IonicContact NZ-OE1 3.86Å; K214-E400 PolarHBondContact NZ-OE1 3.12Å; R396-E400 HydrophobicContact CB-CB 4.22Å; R396-E400 HydrophobicContact CG-CB 4.45Å; G397-E400 PolarHBondContact O-N 3.1Å; L398-E400 VanDerWaalsContact C-N 3.33Å
401S91.1Very high78.3Confident13 Ų1350 Ų509%0.09132%0.32CS..SBendtrans-94.6135.9-179.6-68.80000110.2A384 G397A384-S401 WeakPolarHBondContact CB-OG 3.43Å; G397-S401 PolarHBondContact O-N 3.42Å; G397-S401 PolarHBondContact O-OG 2.99Å
402P95.1Very high81.3Confident41 Ų4145.4 Ų45.427%0.26628%0.281SS..PPolyproline II helixtrans-68.5165.9174.331.1-35000110.6L196 V197 Y198 C383L196-P402 HydrophobicContact CD1-CB 3.7Å; L196-P402 HydrophobicContact CD1-CG 4.17Å; V197-P402 CarbonylContact O-C 3.54Å; V197-P402 WeakPolarHBondContact O-CA 3.29Å; V197-P402 WeakPolarHBondContact O-CB 3.18Å; Y198-P402 HydrophobicContact CE1-CB 4.31Å; C383-P402 WeakPolarHBondContact CB-O 3.37Å; C383-P402 PolarHBondContact N-O 2.98Å
403V95.7Very high83.8Confident15 Ų1545 Ų459%0.09126%0.261CS..EExtended strand (participates in β ladder)trans-102.7144177.1-56.60000110.4V197 H199 V381 F406V197-V403 HydrophobicContact CB-CG2 3.94Å; V197-V403 HydrophobicContact CG1-CG2 3.86Å; V197-V403 PolarHBondContact O-N 3.29Å; H199-V403 HydrophobicContact CB-CG1 3.86Å; V381-V403 CarbonylContact O-C 3.5Å; V381-V403 WeakPolarHBondContact O-CA 3.13Å; V381-V403 WeakPolarHBondContact O-CB 3.45Å; V403-F406 HydrophobicContact CG2-CE1 4.16Å; V403-F406 HydrophobicContact CG2-CE2 4.11Å; V403-F406 HydrophobicContact CG2-CZ 3.58Å
404C93.6Very high86.7Confident67 Ų6743.6 Ų43.645%0.45324%0.237SC..EExtended strand (participates in β ladder)trans-83.8-23.2-179.5-740000111.1V381 C383V381-C404 PolarHBondContact O-N 2.94Å; C383-C404 WeakPolarHBondContact CA-SG 3.47Å; C383-C404 WeakPolarHBondContact CB-SG 3.13Å; C383-C404 WeakPolarHBondContact SG-CA 3.35Å; C383-C404 WeakPolarHBondContact SG-CB 3.41Å; C383-C404 PolarHBondContact SG-N 3.1Å; C383-C404 CovalentContact SG-SG 2.07Å; C383-C404 PolarHBondContact SG-SG 2.67Å
405G96.4Very high89.5Confident9 Ų947.5 Ų47.59%0.09325%0.249CC..EExtended strand (participates in β ladder)trans169-167178.300000112Y316 V381Y316-G405 VanDerWaalsContact OH-CA 3.22Å; Y316-G405 WeakPolarHBondContact OH-CA 3.26Å; V381-G405 PolarHBondContact N-O 3.25Å
406F98Very high91.9Very high4 Ų439.7 Ų39.72%0.01823%0.232CC..EExtended strand (participates in β ladder)trans-130.9146.7-177.7-54.7-90.1000110.3S170 V171 T174 V197 Y316 V378 L379 S380 V403 P424 M437S170-F406 WeakPolarHBondContact OG-CE2 3.34Å; V171-F406 HydrophobicContact CG1-CD2 4.2Å; V171-F406 HydrophobicContact CG1-CG 4.42Å; V171-F406 HydrophobicContact CG2-CD1 3.54Å; V171-F406 HydrophobicContact CG2-CD2 3.72Å; V171-F406 HydrophobicContact CG2-CE1 3.48Å; V171-F406 VanDerWaalsContact CG2-CE1 3.48Å; V171-F406 HydrophobicContact CG2-CE2 3.7Å; V171-F406 HydrophobicContact CG2-CG 3.67Å; V171-F406 HydrophobicContact CG2-CZ 3.59Å; T174-F406 HydrophobicContact CG2-CE1 3.71Å; T174-F406 HydrophobicContact CG2-CE2 4.4Å; T174-F406 HydrophobicContact CG2-CZ 3.39Å; V197-F406 HydrophobicContact CG1-CE2 4.31Å; V197-F406 HydrophobicContact CG1-CZ 3.9Å; Y316-F406 HydrophobicContact CD1-CB 4.47Å; Y316-F406 HydrophobicContact CE1-CB 3.84Å; Y316-F406 HydrophobicContact CE1-CD2 4.26Å; Y316-F406 WeakPolarHBondContact CE1-O 3.4Å; Y316-F406 AromaticContact CE2-CD2 4Å; Y316-F406 HydrophobicContact CE2-CD2 4Å; Y316-F406 AromaticContact CZ-CD2 3.82Å; Y316-F406 PolarHBondContact OH-N 3.03Å; V378-F406 HydrophobicContact CG1-CB 4.11Å; V378-F406 HydrophobicContact CG1-CD1 4.21Å; L379-F406 CarbonylContact O-C 3.51Å; L379-F406 VanDerWaalsContact O-CA 3.3Å; L379-F406 WeakPolarHBondContact O-CA 3.33Å; S380-F406 WeakPolarHBondContact OG-CD1 3.48Å; S380-F406 VanDerWaalsContact OG-CE1 3.22Å; S380-F406 WeakPolarHBondContact OG-CE1 3.27Å; V403-F406 HydrophobicContact CG2-CE1 4.16Å; V403-F406 HydrophobicContact CG2-CE2 4.11Å; V403-F406 HydrophobicContact CG2-CZ 3.58Å; F406-P424 VanDerWaalsContact O-CD 3.27Å; F406-P424 WeakPolarHBondContact O-CD 3.48Å; F406-M437 HydrophobicContact CD1-SD 3.97Å; F406-M437 HydrophobicContact CE1-CE 4.23Å; F406-M437 HydrophobicContact CE1-SD 4.08Å
407I98.1Very high93.8Very high2 Ų242 Ų421%0.0125%0.245CC..EExtended strand (participates in β ladder)trans-128.8158.7171.563.1178.4000108.8V378 L379 V381 V421 L422 L429 L434V378-I407 WeakPolarHBondContact CA-O 3.4Å; L379-I407 HydrophobicContact CB-CD1 4.42Å; L379-I407 HydrophobicContact CB-CG1 3.82Å; L379-I407 HydrophobicContact CD1-CD1 4.35Å; L379-I407 HydrophobicContact CD1-CG1 4.44Å; L379-I407 HydrophobicContact CG-CG1 4.47Å; L379-I407 PolarHBondContact N-O 2.83Å; L379-I407 PolarHBondContact O-N 2.73Å; V381-I407 HydrophobicContact CG2-CD1 4.47Å; V381-I407 HydrophobicContact CG2-CG1 4.37Å; V381-I407 HydrophobicContact CG2-CG2 4.03Å; I407-V421 HydrophobicContact CD1-CB 4.37Å; I407-V421 HydrophobicContact CD1-CG1 4.16Å; I407-L422 VanDerWaalsContact CA-O 3.27Å; I407-L422 WeakPolarHBondContact CA-O 3.44Å; I407-L422 WeakPolarHBondContact CB-O 3.48Å; I407-L429 HydrophobicContact CD1-CD1 4.13Å; I407-L429 HydrophobicContact CD1-CD2 4.12Å; I407-L429 HydrophobicContact CG2-CD2 4.01Å; I407-L434 HydrophobicContact CD1-CD1 4.05Å; I407-L434 HydrophobicContact CD1-CD2 4.25Å
408V98.1Very high94.9Very high1 Ų141.4 Ų41.41%0.00623%0.234CC..EExtended strand (participates in β ladder)trans-118.8129.8173.6174.80000109F317 V378 T410 V421 L422 F441F317-V408 HydrophobicContact CE2-CG2 3.59Å; F317-V408 HydrophobicContact CZ-CB 4.45Å; F317-V408 HydrophobicContact CZ-CG2 3.7Å; V378-V408 HydrophobicContact CG2-CG2 4.08Å; V408-T410 PolarHBondContact O-N 3.39Å; V408-V421 CarbonylContact O-C 3.59Å; V408-V421 VanDerWaalsContact O-CA 3.27Å; V408-V421 WeakPolarHBondContact O-CA 3.48Å; V408-L422 HydrophobicContact CB-CB 4.29Å; V408-L422 PolarHBondContact N-O 3Å; V408-L422 PolarHBondContact O-N 2.67Å; V408-F441 HydrophobicContact CG1-CB 4.43Å; V408-F441 HydrophobicContact CG1-CD1 4.34Å; V408-F441 HydrophobicContact CG2-CB 4.19Å; V408-F441 HydrophobicContact CG2-CD1 4.1Å
409V97.8Very high95.6Very high0 Ų040.5 Ų40.50%023%0.229CC..EExtended strand (participates in β ladder)trans-76.2115.7171.7-1800000108.2L374 H376 H377 L379 V412 M419 V421L374-V409 HydrophobicContact CB-CG1 4.37Å; L374-V409 WeakPolarHBondContact O-CB 3.27Å; H376-V409 WeakPolarHBondContact CA-O 3.5Å; H376-V409 PolarHBondContact N-O 2.79Å; H377-V409 PolarHBondContact O-N 3.23Å; H377-V409 VanDerWaalsContact O-N 3.1Å; L379-V409 HydrophobicContact CD1-CG2 3.58Å; L379-V409 HydrophobicContact CG-CG2 4.03Å; V409-V412 HydrophobicContact CG1-CG2 3.54Å; V409-M419 HydrophobicContact CG1-CB 4.18Å; V409-M419 HydrophobicContact CG2-SD 4.06Å; V409-V421 HydrophobicContact CG2-CG1 4.48Å
410T97.1Very high96.2Very high43 Ų4340.5 Ų40.526%0.26423%0.23SC..EExtended strand (participates in β ladder)trans-95.5-28.5-178.755.20000112.3V408 T420 L422V408-T410 PolarHBondContact O-N 3.39Å; T410-T420 PolarHBondContact N-O 2.81Å; T410-T420 PolarHBondContact OG1-O 2.73Å; T410-L422 HydrophobicContact CG2-CB 3.98Å
411N97.2Very high96.7Very high90 Ų9038.6 Ų38.648%0.48122%0.221SC..EExtended strand (participates in β ladder)trans-152.7154.7177.7-171.526.6000111.2M419 T420N411-M419 CarbonylContact O-C 3.57Å; N411-M419 WeakPolarHBondContact O-CA 3.47Å; N411-T420 PolarHBondContact N-O 3.23Å; N411-T420 PolarHBondContact O-N 3.36Å
412V97.9Very high97Very high10 Ų1038.4 Ų38.46%0.06122%0.219CC..EExtended strand (participates in β ladder)trans-134.5117.5177.3-175.80000110F334 L374 V409 T414 M419F334-V412 HydrophobicContact CE1-CG1 4.02Å; F334-V412 HydrophobicContact CZ-CG1 3.59Å; L374-V412 HydrophobicContact CB-CG2 4.17Å; V409-V412 HydrophobicContact CG1-CG2 3.54Å; V412-T414 HydrophobicContact CG1-CG2 4.31Å; V412-M419 HydrophobicContact CG2-CB 4.35Å
413D97.6Very high97.1Very high67 Ų6736.6 Ų36.636%0.35821%0.208SC..EExtended strand (participates in β ladder)trans-102.9102.7172.2-171.4-23.7000110.1Q415 A416 Q417 V418D413-Q415 VanDerWaalsContact C-N 3.32Å; D413-Q415 PolarHBondContact O-N 2.98Å; D413-Q415 WeakPolarHBondContact OD1-CA 3.29Å; D413-Q415 WeakPolarHBondContact OD1-CB 3.44Å; D413-Q415 PolarHBondContact OD1-N 2.66Å; D413-A416 HydrophobicContact CB-CB 4.19Å; D413-A416 PolarHBondContact OD1-N 2.76Å; D413-Q417 WeakPolarHBondContact O-CA 3.35Å; D413-Q417 PolarHBondContact O-N 2.93Å; D413-V418 HydrophobicContact CB-CG2 3.95Å; D413-V418 PolarHBondContact N-O 3.19Å; D413-V418 PolarHBondContact O-N 3.32Å; D413-V418 VanDerWaalsContact O-N 3.07Å
414T96.3Very high97.1Very high49 Ų4938.6 Ų38.630%0.30122%0.221SC..THydrogen-bonded Turntrans-73.5-21.3179540000113.4R372 V412 Q417R372-T414 HydrophobicContact CG-CG2 4.15Å; V412-T414 HydrophobicContact CG1-CG2 4.31Å; T414-Q417 PolarHBondContact O-NE2 3.2Å
415Q96.3Very high97.2Very high179 Ų17937.4 Ų37.484%0.83622%0.216SC*.THydrogen-bonded Turntrans-78.5-45.9177.1-66.7-176.4-6.600110.2D413 Q417D413-Q415 VanDerWaalsContact C-N 3.32Å; D413-Q415 PolarHBondContact O-N 2.98Å; D413-Q415 WeakPolarHBondContact OD1-CA 3.29Å; D413-Q415 WeakPolarHBondContact OD1-CB 3.44Å; D413-Q415 PolarHBondContact OD1-N 2.66Å; Q415-Q417 VanDerWaalsContact C-N 3.27Å; Q415-Q417 PolarHBondContact O-N 2.83Å
416A96.9Very high97Very high59 Ų5940.6 Ų40.649%0.48824%0.235SC..THydrogen-bonded Turntrans-78.9-8.2176.100000113.7D413 V418D413-A416 HydrophobicContact CB-CB 4.19Å; D413-A416 PolarHBondContact OD1-N 2.76Å; A416-V418 VanDerWaalsContact C-N 3.3Å; A416-V418 HydrophobicContact CB-CG2 3.88Å; A416-V418 PolarHBondContact O-N 3.43Å
417Q97.6Very high96.8Very high104 Ų10449.8 Ų49.849%0.48627%0.27SS..THydrogen-bonded Turntrans5741.7-177.9-63.2-78.1-68.500112.6F334 D413 T414 Q415F334-Q417 HydrophobicContact CD2-CB 3.89Å; F334-Q417 HydrophobicContact CD2-CG 4.37Å; F334-Q417 HydrophobicContact CE2-CB 4.29Å; F334-Q417 HydrophobicContact CG-CB 4.37Å; F334-Q417 WeakPolarHBondContact CG-O 3.42Å; F334-Q417 PolarHBondContact N-O 2.78Å; D413-Q417 WeakPolarHBondContact O-CA 3.35Å; D413-Q417 PolarHBondContact O-N 2.93Å; T414-Q417 PolarHBondContact O-NE2 3.2Å; Q415-Q417 VanDerWaalsContact C-N 3.27Å; Q415-Q417 PolarHBondContact O-N 2.83Å
418V97.9Very high96.5Very high26 Ų2654.8 Ų54.816%0.15830%0.302CS..EExtended strand (participates in β ladder)trans-129.7151.3179.2-63.30000111.4D331 V332 R333 F334 D413 A416D331-V418 HydrophobicContact CB-CB 4.38Å; V332-V418 CarbonylContact O-C 3.58Å; V332-V418 WeakPolarHBondContact O-CA 3.34Å; R333-V418 HydrophobicContact CG-CG1 4.02Å; F334-V418 WeakPolarHBondContact CE1-O 3.43Å; D413-V418 HydrophobicContact CB-CG2 3.95Å; D413-V418 PolarHBondContact N-O 3.19Å; D413-V418 PolarHBondContact O-N 3.32Å; D413-V418 VanDerWaalsContact O-N 3.07Å; A416-V418 VanDerWaalsContact C-N 3.3Å; A416-V418 HydrophobicContact CB-CG2 3.88Å; A416-V418 PolarHBondContact O-N 3.43Å
419M97.6Very high96.2Very high0 Ų055.4 Ų55.40%031%0.305CS..EExtended strand (participates in β ladder)trans-119.4135.4166.758.2-178.2-172.600109.7D331 V332 F334 V337 I339 V409 N411 V412 V421 L434D331-M419 CarbonylContact C-O 3.56Å; D331-M419 WeakPolarHBondContact CA-O 3.37Å; V332-M419 HydrophobicContact CB-CE 4.05Å; V332-M419 HydrophobicContact CB-CG 4.17Å; V332-M419 HydrophobicContact CG1-CE 3.88Å; V332-M419 PolarHBondContact N-O 2.72Å; V332-M419 PolarHBondContact O-N 2.86Å; F334-M419 HydrophobicContact CE1-CB 4.04Å; F334-M419 HydrophobicContact CE1-CG 4.44Å; V337-M419 HydrophobicContact CG1-CE 4.48Å; V337-M419 HydrophobicContact CG2-CE 3.7Å; I339-M419 HydrophobicContact CD1-SD 4.35Å; V409-M419 HydrophobicContact CG1-CB 4.18Å; V409-M419 HydrophobicContact CG2-SD 4.06Å; N411-M419 CarbonylContact O-C 3.57Å; N411-M419 WeakPolarHBondContact O-CA 3.47Å; V412-M419 HydrophobicContact CG2-CB 4.35Å; M419-V421 HydrophobicContact CE-CG1 4.13Å; M419-V421 HydrophobicContact CG-CG1 4.07Å; M419-V421 HydrophobicContact SD-CG1 4.3Å; M419-L434 HydrophobicContact CE-CD1 3.97Å
420T97.5Very high95.9Very high31 Ų3159.5 Ų59.519%0.1933%0.332CS..EExtended strand (participates in β ladder)trans-84.3128.8170.2-48.90000108.2D331 T410 N411D331-T420 WeakPolarHBondContact OD1-CB 3.49Å; D331-T420 PolarHBondContact OD1-OG1 3.46Å; T410-T420 PolarHBondContact N-O 2.81Å; T410-T420 PolarHBondContact OG1-O 2.73Å; N411-T420 PolarHBondContact N-O 3.23Å; N411-T420 PolarHBondContact O-N 3.36Å
421V97.4Very high95.7Very high0 Ų060.8 Ų60.80%033%0.332CS..EExtended strand (participates in β ladder)trans-120.4143.6-178.9-55.90000111.4A329 F330 V332 I407 V408 V409 M419A329-V421 VanDerWaalsContact CA-O 3.31Å; A329-V421 WeakPolarHBondContact CA-O 3.47Å; F330-V421 HydrophobicContact CD2-CG2 4.17Å; F330-V421 HydrophobicContact CE2-CG2 3.87Å; F330-V421 HydrophobicContact CZ-CG2 4.09Å; F330-V421 PolarHBondContact N-O 3.06Å; F330-V421 PolarHBondContact O-N 2.97Å; V332-V421 HydrophobicContact CG2-CG1 4.26Å; V332-V421 HydrophobicContact CG2-CG2 3.75Å; I407-V421 HydrophobicContact CD1-CB 4.37Å; I407-V421 HydrophobicContact CD1-CG1 4.16Å; V408-V421 CarbonylContact O-C 3.59Å; V408-V421 VanDerWaalsContact O-CA 3.27Å; V408-V421 WeakPolarHBondContact O-CA 3.48Å; V409-V421 HydrophobicContact CG2-CG1 4.48Å; M419-V421 HydrophobicContact CE-CG1 4.13Å; M419-V421 HydrophobicContact CG-CG1 4.07Å; M419-V421 HydrophobicContact SD-CG1 4.3Å
422L97.8Very high95.4Very high9 Ų960.7 Ų60.75%0.04733%0.329CS..EExtended strand (participates in β ladder)trans-89.4124.1162-174.871.1000108.3F317 Y318 P327 H328 I407 V408 T410F317-L422 HydrophobicContact CB-CD2 4.27Å; F317-L422 HydrophobicContact CD1-CD2 3.96Å; F317-L422 HydrophobicContact CD1-CG 3.95Å; F317-L422 HydrophobicContact CD2-CD2 4.2Å; F317-L422 HydrophobicContact CE1-CD2 4.36Å; F317-L422 HydrophobicContact CE1-CG 4.2Å; F317-L422 WeakPolarHBondContact CE1-O 3.35Å; F317-L422 HydrophobicContact CG-CD2 3.89Å; F317-L422 HydrophobicContact CG-CG 4.38Å; Y318-L422 HydrophobicContact CE2-CD2 4.37Å; P327-L422 HydrophobicContact CB-CD1 3.72Å; P327-L422 HydrophobicContact CB-CG 4.16Å; P327-L422 HydrophobicContact CG-CD1 3.84Å; H328-L422 CarbonylContact O-C 3.59Å; H328-L422 WeakPolarHBondContact O-CA 3.45Å; I407-L422 VanDerWaalsContact CA-O 3.27Å; I407-L422 WeakPolarHBondContact CA-O 3.44Å; I407-L422 WeakPolarHBondContact CB-O 3.48Å; V408-L422 HydrophobicContact CB-CB 4.29Å; V408-L422 PolarHBondContact N-O 3Å; V408-L422 PolarHBondContact O-N 2.67Å; T410-L422 HydrophobicContact CG2-CB 3.98Å
423S97.1Very high95.3Very high3 Ų360.2 Ų60.22%0.02133%0.326CS..EExtended strand (participates in β ladder)trans-131.9139.8-175.1174.70000110.9P327 H328 A425P327-S423 CarbonylContact C-O 3.39Å; P327-S423 WeakPolarHBondContact CA-O 3.27Å; P327-S423 WeakPolarHBondContact CB-O 3.38Å; H328-S423 PolarHBondContact N-O 3.31Å; H328-S423 PolarHBondContact O-N 3.09Å; S423-A425 VanDerWaalsContact CB-O 3.27Å; S423-A425 WeakPolarHBondContact CB-O 3.45Å; S423-A425 PolarHBondContact O-N 3.34Å; S423-A425 PolarHBondContact OG-N 2.83Å; S423-A425 PolarHBondContact OG-O 2.93Å
424P95.4Very high95.2Very high57 Ų5757 Ų5737%0.3731%0.309SS..SBendtrans-68.4-17.2173.631.7-37.6000112.7Y316 F406Y316-P424 HydrophobicContact CE1-CB 4.36Å; Y316-P424 HydrophobicContact CE1-CG 4Å; F406-P424 VanDerWaalsContact O-CD 3.27Å; F406-P424 WeakPolarHBondContact O-CD 3.48Å
425A94.3Very high95.3Very high42 Ų4254.8 Ų54.835%0.34730%0.295SS..SBendtrans-121.6150.7-179.800000111H328 S423H328-A425 VanDerWaalsContact CD2-C 3.41Å; S423-A425 VanDerWaalsContact CB-O 3.27Å; S423-A425 WeakPolarHBondContact CB-O 3.45Å; S423-A425 PolarHBondContact O-N 3.34Å; S423-A425 PolarHBondContact OG-N 2.83Å; S423-A425 PolarHBondContact OG-O 2.93Å
426P94.3Very high95.3Very high77 Ų7747.1 Ų47.150%0.526%0.26SS..PPolyproline II helixtrans-67.7166.3177.129.8-35.6000111.4H328H328-P426 VanDerWaalsContact CD2-N 3.26Å
427R92.4Very high95.3Very high197 Ų19744.3 Ų44.374%0.74324%0.236SC*.SBendtrans-59.8150.7173.867.8179.6-129.6-153.91.2112F330F330-R427 HydrophobicContact CD1-CB 4.17Å; F330-R427 HydrophobicContact CD2-CB 3.86Å; F330-R427 HydrophobicContact CE1-CB 4.16Å; F330-R427 HydrophobicContact CE2-CB 3.85Å; F330-R427 HydrophobicContact CG-CB 4.02Å; F330-R427 HydrophobicContact CZ-CB 4.01Å
428P92.3Very high95.2Very high107 Ų10743.3 Ų43.370%0.69523%0.234SC*.SBendcis-76165.5-4.533.3-35.5000112.5
429L92.5Very high95.2Very high13 Ų1342.8 Ų42.87%0.06823%0.23CC..PPolyproline II helixtrans-57.4142.8168-69.8177.9000109.7F330 V332 V337 I407 R431F330-L429 HydrophobicContact CE2-CD2 4.28Å; F330-L429 HydrophobicContact CE2-CG 4.32Å; F330-L429 HydrophobicContact CZ-CD2 3.98Å; F330-L429 HydrophobicContact CZ-CG 4.43Å; V332-L429 HydrophobicContact CG1-CD1 4.13Å; V332-L429 HydrophobicContact CG2-CD1 4.03Å; V332-L429 HydrophobicContact CG2-CG 4.31Å; V337-L429 HydrophobicContact CG1-CD1 3.98Å; I407-L429 HydrophobicContact CD1-CD1 4.13Å; I407-L429 HydrophobicContact CD1-CD2 4.12Å; I407-L429 HydrophobicContact CG2-CD2 4.01Å; L429-R431 PolarHBondContact O-N 3Å
430P90Very high95.1Very high86 Ų8649.5 Ų49.556%0.55826%0.256SS*.SBendtrans-68.4-24.5-17626.3-33.5000112.7V381V381-P430 HydrophobicContact CG1-CG 4.04Å
431R92.7Very high95Very high71 Ų7148.2 Ų48.227%0.26825%0.248SC..  trans-146.2161.5178.4-63.7-67.4-172.7152.24.1110.4V381 S382 D385 E388 L429V381-R431 HydrophobicContact CG1-CB 3.79Å; S382-R431 VanDerWaalsContact O-CB 3.25Å; S382-R431 WeakPolarHBondContact O-CB 3.3Å; S382-R431 VanDerWaalsContact O-CG 3.26Å; S382-R431 WeakPolarHBondContact O-CG 3.31Å; D385-R431 WeakPolarHBondContact OD2-CD 3.27Å; D385-R431 IonicContact OD2-CZ 2.73Å; D385-R431 IonicContact OD2-NE 3.7Å; D385-R431 IonicContact OD2-NH1 3.31Å; D385-R431 PolarHBondContact OD2-NH1 3.15Å; E388-R431 IonicContact OE1-NH1 2.72Å; E388-R431 PolarHBondContact OE1-NH1 2.94Å; E388-R431 IonicContact OE2-CZ 3.9Å; E388-R431 IonicContact OE2-NH1 2.96Å; E388-R431 PolarHBondContact OE2-NH1 3.37Å; L429-R431 PolarHBondContact O-N 3Å
432H92.1Very high94.8Very high88 Ų8852.7 Ų52.741%0.40727%0.27SS..SBendtrans-104.6-10.6-173-61.2-75000113.5D336 V337 R338D336-H432 PolarHBondContact O-ND1 2.92Å; V337-H432 CarbonylContact C-O 3.55Å; V337-H432 VanDerWaalsContact CA-O 3.26Å; V337-H432 WeakPolarHBondContact CA-O 3.42Å; R338-H432 PolarHBondContact N-O 3.12Å
433T95.3Very high94Very high0 Ų054.3 Ų54.30%028%0.279CS..EExtended strand (participates in β ladder)trans-96.4118.3179.7-52.70000110.7Y340 S382 D385 L398Y340-T433 HydrophobicContact CD2-CG2 4.08Å; Y340-T433 HydrophobicContact CE2-CG2 4.02Å; S382-T433 WeakPolarHBondContact CB-O 3.37Å; S382-T433 PolarHBondContact N-O 3.2Å; D385-T433 PolarHBondContact OD1-OG1 3.24Å; L398-T433 HydrophobicContact CD1-CG2 3.61Å; L398-T433 HydrophobicContact CD2-CG2 3.68Å; L398-T433 HydrophobicContact CG-CG2 4.33Å
434L96.5Very high92.8Very high0 Ų060.9 Ų60.90%031%0.313CS..EExtended strand (participates in β ladder)trans-118.2143-174.4-54.8-179.2000111.4V337 R338 I339 Y340 L379 S380 V381 I407 M419V337-L434 HydrophobicContact CB-CD1 3.98Å; V337-L434 HydrophobicContact CB-CG 4.41Å; V337-L434 HydrophobicContact CG1-CD1 4Å; V337-L434 HydrophobicContact CG2-CD1 4.24Å; R338-L434 PolarHBondContact O-N 2.87Å; I339-L434 CarbonylContact C-O 3.59Å; I339-L434 WeakPolarHBondContact CA-O 3.39Å; I339-L434 HydrophobicContact CG1-CB 4.22Å; I339-L434 HydrophobicContact CG1-CD1 4.28Å; Y340-L434 PolarHBondContact N-O 3.34Å; L379-L434 HydrophobicContact CD1-CD1 3.85Å; S380-L434 CarbonylContact O-C 3.54Å; S380-L434 WeakPolarHBondContact O-CA 3.15Å; V381-L434 HydrophobicContact CB-CD2 4.19Å; V381-L434 HydrophobicContact CG1-CD2 4.19Å; V381-L434 HydrophobicContact CG2-CD2 3.82Å; I407-L434 HydrophobicContact CD1-CD1 4.05Å; I407-L434 HydrophobicContact CD1-CD2 4.25Å; M419-L434 HydrophobicContact CE-CD1 3.97Å
435L97Very high90.7Very high2 Ų270.6 Ų70.61%0.0135%0.35CS..EExtended strand (participates in β ladder)trans-114.3121.1175.3-61.5174.1000110H199 Y340 I342 L379 S380 L398H199-L435 HydrophobicContact CB-CD1 3.64Å; Y340-L435 WeakPolarHBondContact O-CA 3.32Å; I342-L435 HydrophobicContact CD1-CD1 4.4Å; I342-L435 HydrophobicContact CG1-CD2 4.38Å; L379-L435 CarbonylContact C-O 3.57Å; L379-L435 WeakPolarHBondContact CA-O 3.38Å; S380-L435 PolarHBondContact N-O 3.43Å; S380-L435 PolarHBondContact O-N 3.07Å; L398-L435 HydrophobicContact CD2-CD2 3.8Å; L398-L435 HydrophobicContact CG-CD2 4.04Å
436I97.2Very high90.5Very high18 Ų1872 Ų729%0.09235%0.35CS..EExtended strand (participates in β ladder)trans-75.2131.7178.8-168.7176.6000111H199 I339 Y340 K341 V368 L374 H377 L379H199-I436 PolarHBondContact CE1-O 2.96Å; I339-I436 HydrophobicContact CG2-CB 4.2Å; Y340-I436 PolarHBondContact O-N 3.01Å; K341-I436 HydrophobicContact CB-CG2 3.65Å; K341-I436 HydrophobicContact CD-CG2 4.32Å; K341-I436 HydrophobicContact CG-CG2 3.99Å; V368-I436 HydrophobicContact CG2-CG2 4.12Å; L374-I436 HydrophobicContact CD2-CD1 3.5Å; L374-I436 HydrophobicContact CD2-CG1 4.43Å; H377-I436 HydrophobicContact CB-CD1 4.36Å; H377-I436 HydrophobicContact CB-CG1 4.15Å; L379-I436 HydrophobicContact CD2-CB 3.85Å; L379-I436 HydrophobicContact CD2-CG1 3.76Å
437M97.3Very high90.3Very high0 Ų071.7 Ų71.70%034%0.342CS..EExtended strand (participates in β ladder)trans-94.3149.6171.2-51.9-17790.400109.8V171 P172 G173 T174 G201 H377 V378 F406 I439V171-M437 HydrophobicContact CG2-CE 4.46Å; P172-M437 WeakPolarHBondContact O-CE 3.38Å; G173-M437 VanDerWaalsContact O-CE 3.28Å; G173-M437 WeakPolarHBondContact O-CE 3.41Å; T174-M437 HydrophobicContact CG2-CE 4.1Å; G201-M437 CarbonylContact O-C 3.5Å; G201-M437 WeakPolarHBondContact O-CA 3.35Å; H377-M437 PolarHBondContact CE1-O 2.85Å; H377-M437 PolarHBondContact ND1-O 2.77Å; V378-M437 HydrophobicContact CB-CB 4.39Å; V378-M437 HydrophobicContact CB-CG 4.4Å; V378-M437 HydrophobicContact CB-SD 3.87Å; V378-M437 HydrophobicContact CG1-SD 3.57Å; V378-M437 VanDerWaalsContact CG1-SD 3.57Å; V378-M437 VanDerWaalsContact O-CB 3.31Å; V378-M437 WeakPolarHBondContact O-CB 3.43Å; V378-M437 WeakPolarHBondContact O-CG 3.38Å; V378-M437 PolarHBondContact O-N 2.81Å; F406-M437 HydrophobicContact CD1-SD 3.97Å; F406-M437 HydrophobicContact CE1-CE 4.23Å; F406-M437 HydrophobicContact CE1-SD 4.08Å; M437-I439 HydrophobicContact CB-CB 4.15Å; M437-I439 HydrophobicContact CE-CD1 4.11Å; M437-I439 PolarHBondContact O-N 2.67Å; M437-I439 VanDerWaalsContact O-N 3.11Å
438D95.5Very high90.2Very high82 Ų8264.8 Ų64.844%0.43932%0.319SS..EExtended strand (participates in β ladder)trans-72.25.4167.9-68.9-27.8000112.2G201 K341G201-D438 PolarHBondContact O-N 2.99Å; K341-D438 IonicContact NZ-OD1 2.76Å; K341-D438 PolarHBondContact NZ-OD1 2.86Å; K341-D438 IonicContact NZ-OD2 4Å
439I96.5Very high90Very high16 Ų1662.3 Ų62.38%0.08230%0.297CS..EExtended strand (participates in β ladder)trans-95.8135.3-179.6-64.4161.3000109.4P172 T203 I313 V378 M437P172-I439 HydrophobicContact CB-CD1 4.03Å; P172-I439 WeakPolarHBondContact O-CD1 3.48Å; T203-I439 HydrophobicContact CG2-CD1 3.87Å; T203-I439 HydrophobicContact CG2-CG1 3.84Å; I313-I439 HydrophobicContact CD1-CG2 3.72Å; V378-I439 HydrophobicContact CG2-CB 4.49Å; V378-I439 HydrophobicContact CG2-CG2 3.99Å; V378-I439 PolarHBondContact N-O 3.47Å; M437-I439 HydrophobicContact CB-CB 4.15Å; M437-I439 HydrophobicContact CE-CD1 4.11Å; M437-I439 PolarHBondContact O-N 2.67Å; M437-I439 VanDerWaalsContact O-N 3.11Å
440R95.9Very high89.9Confident141 Ų14165.4 Ų65.453%0.53231%0.312SS..EExtended strand (participates in β ladder)trans-117.7146.2177.2-64.6-177.2177.2-172.4-4.8111.1H376 H377H376-R440 HydrophobicContact CB-CB 4.37Å; H376-R440 CarbonylContact O-C 3.5Å; H376-R440 WeakPolarHBondContact O-CA 3.41Å; H376-R440 WeakPolarHBondContact O-CB 3.46Å; H377-R440 PolarHBondContact NE2-NE 2.72Å; H377-R440 PolarHBondContact NE2-NH2 3.11Å
441F95.6Very high89.9Confident4 Ų464 Ų642%0.01830%0.295CS..  trans-135.3126.6175.6179.3-104000109.7I313 R314 H376 V378 V408 D443I313-F441 HydrophobicContact CB-CD2 3.85Å; I313-F441 HydrophobicContact CB-CE2 4.2Å; I313-F441 HydrophobicContact CB-CG 4.32Å; I313-F441 HydrophobicContact CD1-CB 4.29Å; I313-F441 HydrophobicContact CD1-CD2 4.39Å; I313-F441 HydrophobicContact CG2-CB 3.89Å; I313-F441 HydrophobicContact CG2-CD1 4.01Å; I313-F441 HydrophobicContact CG2-CD2 3.57Å; I313-F441 HydrophobicContact CG2-CE1 4.44Å; I313-F441 HydrophobicContact CG2-CE2 4.05Å; I313-F441 HydrophobicContact CG2-CG 3.54Å; I313-F441 HydrophobicContact CG2-CZ 4.46Å; R314-F441 HydrophobicContact CB-CE2 4.2Å; R314-F441 HydrophobicContact CB-CZ 4.15Å; R314-F441 HydrophobicContact CG-CZ 4.48Å; H376-F441 WeakPolarHBondContact CB-O 3.46Å; H376-F441 PolarHBondContact O-N 3.47Å; V378-F441 HydrophobicContact CG2-CB 4.17Å; V408-F441 HydrophobicContact CG1-CB 4.43Å; V408-F441 HydrophobicContact CG1-CD1 4.34Å; V408-F441 HydrophobicContact CG2-CB 4.19Å; V408-F441 HydrophobicContact CG2-CD1 4.1Å; F441-D443 HydrophobicContact CE1-CB 4Å
442I93Very high89.7Confident94 Ų9463.5 Ų63.548%0.48230%0.297SS..  trans-106.2116.1174-58176.9000106.9H376 L444H376-I442 HydrophobicContact CB-CG1 4.22Å; I442-L444 VanDerWaalsContact C-N 3.34Å; I442-L444 HydrophobicContact CG2-CD2 3.9Å; I442-L444 HydrophobicContact CG2-CG 4.13Å; I442-L444 PolarHBondContact O-N 2.94Å
443D81.6Confident89.5Confident43 Ų4361.6 Ų61.623%0.2329%0.289CS..  trans-75.288.3174.2-171.343000109.3Y318 F441 K445Y318-D443 WeakPolarHBondContact CE2-OD1 3.27Å; Y318-D443 PolarHBondContact OH-OD1 2.83Å; Y318-D443 PolarHBondContact OH-OD2 3.5Å; F441-D443 HydrophobicContact CE1-CB 4Å; D443-K445 PolarHBondContact O-N 2.96Å
444L71Confident89Confident141 Ų14166.8 Ų66.874%0.73831%0.313SS*.  trans-79105.6171.3-63.8173.7000107.5I442I442-L444 VanDerWaalsContact C-N 3.34Å; I442-L444 HydrophobicContact CG2-CD2 3.9Å; I442-L444 HydrophobicContact CG2-CG 4.13Å; I442-L444 PolarHBondContact O-N 2.94Å
445K50.9Low88.3Confident260 Ų26072.8 Ų72.8100%1.1334%0.341SS*.  trans-65.30174.4-78.8-173.2176.1179.50112.8D443D443-K445 PolarHBondContact O-N 2.96Å

Retrieved 445 of 445 residues in 1214.3 ms (Link to these results)