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Isoform 2 of NEDD8-activating enzyme E1 catalytic subunit AlphaSync

Canonical isoform description: Catalytic subunit of the dimeric UBA3-NAE1 E1 enzyme. E1 activates NEDD8 by first adenylating its C-terminal glycine residue with ATP, thereafter linking this residue to the side chain of the catalytic cysteine, yielding a NEDD8-UBA3 thioester and free AMP. E1 finally transfers NEDD8 to the catalytic cysteine of UBE2M. Down-regulates steroid receptor activity. Necessary for cell cycle progression.

AlphaFold DB , UniProt , Accession Q8TBC4-2 (canonical: Q8TBC4), Species HUMAN (Homo sapiens, Human), Gene UBA3, Length 449 aa.

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Download Structure   AlphaSync Parameters   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.5Very low41.3Very low241 Ų241152.6 Ų152.6100%1.18789%0.891SS**  0124.20-74.8-159.8-137.500106.5
2A45.3Very low40.6Very low105 Ų105146.3 Ų146.387%0.86888%0.882SS**  trans88.164.8-162.800000114.3
3D40.1Very low39.7Very low161 Ų161140.5 Ų140.586%0.86187%0.87SS**  trans-81.6122.5156.4-67-44.1000107.6
4G51.8Low39.1Very low78 Ų78140.6 Ų140.680%0.80488%0.877SS**  trans-106.6104.117100000109.3
5E42.3Very low38.8Very low194 Ų194135.1 Ų135.191%0.90786%0.858SS**PPolyproline II helixtrans-68121.5170.6-71.5175.1145.300109.9
6E44.7Very low39.3Very low181 Ų181136.4 Ų136.485%0.84686%0.856SS**PPolyproline II helixtrans-74.4137.2163.5-85.6-176.6153.400110
7P39.9Very low40.6Very low127 Ų127133.3 Ų133.383%0.82584%0.836SS**PPolyproline II helixtrans-77.1129.1-177.630.2-30.7000111.1A9P7-A9 PolarHBondContact O-N 3.26Å
8M35.4Very low42.5Very low176 Ų176127.7 Ų127.787%0.86781%0.808SS**PPolyproline II helixtrans-58123.6171.4-64.7-113.1-71.300110.9V10M8-V10 PolarHBondContact O-N 3.39Å
9A39.9Very low45.1Very low107 Ų107122.7 Ų122.788%0.88478%0.775SS**PPolyproline II helixtrans-69.4127.9170.500000109.9P7P7-A9 PolarHBondContact O-N 3.26Å
10V40.6Very low47.6Very low139 Ų139123.9 Ų123.984%0.84276%0.764SS**PPolyproline II helixtrans-84.1134.5-174.5-160.30000109.3M8 G12M8-V10 PolarHBondContact O-N 3.39Å; V10-G12 PolarHBondContact O-N 2.9Å
11D33.8Very low49.9Very low170 Ų170127.3 Ų127.391%0.90977%0.771SS**  trans-51.3107.8171.8-93.5-32.5000111.3
12G33Very low52.6Low76 Ų76117.3 Ų117.378%0.78473%0.73SS**  trans-94.796.2172.900000110.4V10V10-G12 PolarHBondContact O-N 2.9Å
13G29.5Very low55.1Low71 Ų71113.8 Ų113.873%0.73269%0.694SS**  trans-61.9145.3175.800000114.2G15G13-G15 PolarHBondContact O-N 3.46Å; G13-G15 VanDerWaalsContact O-N 3.08Å
14C31.2Very low57.8Low143 Ų143107.1 Ų107.197%0.96666%0.657SS**SBendtrans3756.4157.6-162.50000115.9
15G33.6Very low60.1Low57 Ų57107.1 Ų107.159%0.58864%0.638SS**  trans-87.1141.9170.200000111.3G13 T17G13-G15 PolarHBondContact O-N 3.46Å; G13-G15 VanDerWaalsContact O-N 3.08Å; G15-T17 PolarHBondContact O-N 2.74Å
16D47.7Very low62.7Low156 Ų156105 Ų10583%0.83463%0.628SS**  trans-38.4109.2171-173.16.7000111.2G18D16-G18 PolarHBondContact O-N 2.89Å
17T60.7Low65.3Low84 Ų8497 Ų9752%0.51559%0.592SS.*  trans-64.1-1.9-174.657.20000113.7G15 D19 N124G15-T17 PolarHBondContact O-N 2.74Å; T17-D19 PolarHBondContact O-N 3.09Å; T17-D19 VanDerWaalsContact O-N 3.16Å; T17-N124 PolarHBondContact O-ND2 3.01Å
18G75.2Confident68.1Low32 Ų3294.4 Ų94.433%0.3357%0.567SS.*SBendtrans67.27.6-176.200000113.4D16 N124D16-G18 PolarHBondContact O-N 2.89Å; G18-N124 VanDerWaalsContact C-ND2 3.34Å; G18-N124 WeakPolarHBondContact CA-ND2 3.25Å; G18-N124 PolarHBondContact O-ND2 2.71Å; G18-N124 VanDerWaalsContact O-ND2 3.16Å
19D91.4Very high71.1Confident33 Ų3390.3 Ų90.318%0.17655%0.545CS..PPolyproline II helixtrans-99.4117.5177.4-72.2-41.6000110.6T17 R23 W24 R80T17-D19 PolarHBondContact O-N 3.09Å; T17-D19 VanDerWaalsContact O-N 3.16Å; D19-R23 VanDerWaalsContact OD1-CD 3.29Å; D19-R23 WeakPolarHBondContact OD1-CD 3.4Å; D19-R23 IonicContact OD1-CZ 3.65Å; D19-R23 IonicContact OD1-NE 3.74Å; D19-R23 IonicContact OD1-NH1 3.67Å; D19-R23 PolarHBondContact OD1-NH1 2.92Å; D19-W24 PolarHBondContact OD1-NE1 3.11Å; D19-W24 PolarHBondContact OD2-NE1 2.78Å; D19-R80 IonicContact OD1-NH2 2.76Å; D19-R80 PolarHBondContact OD1-NH2 3.09Å; D19-R80 IonicContact OD2-CZ 3.43Å; D19-R80 IonicContact OD2-NH2 3.86Å; D19-R80 PolarHBondContact OD2-NH2 2.89Å
20W95.8Very high73.9Confident147 Ų14789.5 Ų89.556%0.55752%0.521SS*.PPolyproline II helixtrans-72156.1174.963.388.4000111.9G22 R23 P123W20-G22 PolarHBondContact O-N 3.3Å; W20-R23 HydrophobicContact CD2-CB 4Å; W20-R23 HydrophobicContact CD2-CG 4.15Å; W20-R23 HydrophobicContact CG-CB 4.16Å; W20-R23 HydrophobicContact CH2-CG 4.01Å; W20-R23 HydrophobicContact CZ2-CB 4.15Å; W20-R23 HydrophobicContact CZ2-CG 3.6Å; W20-R23 HydrophobicContact CZ3-CG 4.43Å; W20-R23 VanDerWaalsContact O-CB 3.28Å; W20-R23 WeakPolarHBondContact O-CB 3.28Å; W20-R23 PolarHBondContact O-N 3.14Å; W20-R23 VanDerWaalsContact O-N 3.15Å; W20-P123 HydrophobicContact CH2-CG 4.36Å; W20-P123 HydrophobicContact CZ3-CB 4.26Å; W20-P123 HydrophobicContact CZ3-CG 3.94Å
21E96.3Very high76.6Confident196 Ų19682.9 Ų82.992%0.91648%0.481SS*.THydrogen-bonded Turntrans-55.5129.1179.8-168.3-176.2171.100111.3R23E21-R23 VanDerWaalsContact C-N 3.3Å; E21-R23 PolarHBondContact O-N 2.96Å
22G96.6Very high79.7Confident30 Ų3078.2 Ų78.231%0.30945%0.454SS..THydrogen-bonded Turntrans81.2-2.9176.600000116.2W20 W24 N25W20-G22 PolarHBondContact O-N 3.3Å; G22-W24 VanDerWaalsContact C-N 3.28Å; G22-W24 PolarHBondContact O-N 3.01Å; G22-N25 VanDerWaalsContact CA-CG 3.44Å; G22-N25 WeakPolarHBondContact CA-ND2 3.18Å; G22-N25 WeakPolarHBondContact CA-OD1 3.17Å; G22-N25 VanDerWaalsContact O-CB 3.31Å; G22-N25 WeakPolarHBondContact O-CB 3.28Å; G22-N25 VanDerWaalsContact O-CG 3.24Å; G22-N25 PolarHBondContact O-N 3.39Å; G22-N25 VanDerWaalsContact O-N 3.12Å; G22-N25 PolarHBondContact O-ND2 3.27Å
23R97.5Very high82.8Confident32 Ų3282 Ų8212%0.12145%0.445CS..THydrogen-bonded Turntrans-47.1-48.6178.8-177.8177-178.2175.58113.4D19 W20 E21 P123D19-R23 VanDerWaalsContact OD1-CD 3.29Å; D19-R23 WeakPolarHBondContact OD1-CD 3.4Å; D19-R23 IonicContact OD1-CZ 3.65Å; D19-R23 IonicContact OD1-NE 3.74Å; D19-R23 IonicContact OD1-NH1 3.67Å; D19-R23 PolarHBondContact OD1-NH1 2.92Å; W20-R23 HydrophobicContact CD2-CB 4Å; W20-R23 HydrophobicContact CD2-CG 4.15Å; W20-R23 HydrophobicContact CG-CB 4.16Å; W20-R23 HydrophobicContact CH2-CG 4.01Å; W20-R23 HydrophobicContact CZ2-CB 4.15Å; W20-R23 HydrophobicContact CZ2-CG 3.6Å; W20-R23 HydrophobicContact CZ3-CG 4.43Å; W20-R23 VanDerWaalsContact O-CB 3.28Å; W20-R23 WeakPolarHBondContact O-CB 3.28Å; W20-R23 PolarHBondContact O-N 3.14Å; W20-R23 VanDerWaalsContact O-N 3.15Å; E21-R23 VanDerWaalsContact C-N 3.3Å; E21-R23 PolarHBondContact O-N 2.96Å; R23-P123 VanDerWaalsContact CZ-O 3.31Å; R23-P123 PolarHBondContact NH1-O 2.78Å; R23-P123 PolarHBondContact NH2-O 3.33Å
24W98Very high86Confident20 Ų2082.7 Ų82.78%0.07644%0.438CS..THydrogen-bonded Turntrans-99.916.2-174.3-59.2117.2000114D19 G22 H26 V27 K28 L49 L53 A75D19-W24 PolarHBondContact OD1-NE1 3.11Å; D19-W24 PolarHBondContact OD2-NE1 2.78Å; G22-W24 VanDerWaalsContact C-N 3.28Å; G22-W24 PolarHBondContact O-N 3.01Å; W24-H26 PolarHBondContact O-N 3.05Å; W24-V27 HydrophobicContact CE3-CG2 4.13Å; W24-V27 PolarHBondContact O-N 3.08Å; W24-K28 HydrophobicContact CB-CG 4.37Å; W24-K28 WeakPolarHBondContact O-CG 3.48Å; W24-K28 PolarHBondContact O-N 3.47Å; W24-L49 HydrophobicContact CB-CD1 4.43Å; W24-L49 HydrophobicContact CB-CD2 3.58Å; W24-L49 HydrophobicContact CG-CD1 4.42Å; W24-L49 HydrophobicContact CG-CD2 3.94Å; W24-L53 HydrophobicContact CH2-CD2 4.39Å; W24-L53 HydrophobicContact CZ2-CD2 3.78Å; W24-A75 WeakPolarHBondContact CH2-O 3.22Å
25N98.3Very high89.2Confident79 Ų7977.4 Ų77.442%0.42241%0.408SS..Hα-helixtrans-57.8-26.3-175.9-81.4-7.9000114.3G22 K29G22-N25 VanDerWaalsContact CA-CG 3.44Å; G22-N25 WeakPolarHBondContact CA-ND2 3.18Å; G22-N25 WeakPolarHBondContact CA-OD1 3.17Å; G22-N25 VanDerWaalsContact O-CB 3.31Å; G22-N25 WeakPolarHBondContact O-CB 3.28Å; G22-N25 VanDerWaalsContact O-CG 3.24Å; G22-N25 PolarHBondContact O-N 3.39Å; G22-N25 VanDerWaalsContact O-N 3.12Å; G22-N25 PolarHBondContact O-ND2 3.27Å; N25-K29 WeakPolarHBondContact O-CG 3.42Å; N25-K29 PolarHBondContact O-NZ 3.42Å
26H98.6Very high92.2Very high149 Ų14980.4 Ų80.469%0.6942%0.417SS*.Hα-helixtrans-75.9-40.5176.8-66.4-76.4000111.9W24 F30W24-H26 PolarHBondContact O-N 3.05Å; H26-F30 VanDerWaalsContact O-CD2 3.28Å; H26-F30 WeakPolarHBondContact O-CD2 3.35Å; H26-F30 WeakPolarHBondContact O-CE2 3.15Å
27V98.5Very high94.6Very high13 Ų1380.3 Ų80.38%0.07941%0.41CS..Hα-helixtrans-72.9-46.6178.21770000110.9W24 K29 F30 L31 L49 F315W24-V27 HydrophobicContact CE3-CG2 4.13Å; W24-V27 PolarHBondContact O-N 3.08Å; V27-K29 PolarHBondContact O-N 3.43Å; V27-F30 PolarHBondContact O-N 3.38Å; V27-L31 HydrophobicContact CG1-CD1 3.78Å; V27-L31 HydrophobicContact CG1-CG 4.27Å; V27-L49 HydrophobicContact CG1-CD1 3.89Å; V27-F315 HydrophobicContact CG1-CE2 3.7Å; V27-F315 HydrophobicContact CG1-CZ 3.94Å
28K98.3Very high96.4Very high73 Ų7378.1 Ų78.132%0.31740%0.396SS..Hα-helixtrans-50.9-36.2-179.2-76.5-175.9169.2-160.40113.7W24 F30 L31 E32 L49W24-K28 HydrophobicContact CB-CG 4.37Å; W24-K28 WeakPolarHBondContact O-CG 3.48Å; W24-K28 PolarHBondContact O-N 3.47Å; K28-F30 PolarHBondContact O-N 3.31Å; K28-F30 VanDerWaalsContact O-N 3.15Å; K28-L31 PolarHBondContact O-N 2.78Å; K28-L31 VanDerWaalsContact O-N 3.14Å; K28-E32 HydrophobicContact CB-CG 4.36Å; K28-E32 VanDerWaalsContact CD-OE1 3.26Å; K28-E32 WeakPolarHBondContact CD-OE1 3.15Å; K28-E32 WeakPolarHBondContact CG-OE1 3.5Å; K28-E32 IonicContact NZ-OE1 3.49Å; K28-E32 VanDerWaalsContact O-CB 3.32Å; K28-E32 WeakPolarHBondContact O-CB 3.47Å; K28-E32 WeakPolarHBondContact O-CG 3.45Å; K28-E32 PolarHBondContact O-N 3.42Å; K28-L49 HydrophobicContact CD-CD2 4.29Å; K28-L49 HydrophobicContact CG-CD2 3.76Å
29K98.5Very high97.5Very high89 Ų8978.9 Ų78.939%0.38739%0.391SS..Hα-helixtrans-57.4-30.7178.4-74.2-179.7-17572.80113.7N25 V27 R33N25-K29 WeakPolarHBondContact O-CG 3.42Å; N25-K29 PolarHBondContact O-NZ 3.42Å; V27-K29 PolarHBondContact O-N 3.43Å; K29-R33 WeakPolarHBondContact O-CB 3.26Å; K29-R33 WeakPolarHBondContact O-CD 3.3Å; K29-R33 WeakPolarHBondContact O-CG 3.47Å
30F98.5Very high97.8Very high90 Ų9082.5 Ų82.540%0.39542%0.416SS..Hα-helixtrans-92.8-16.1-178-58.5-70.9000113.2H26 V27 K28 F42 F315 A321 Y322H26-F30 VanDerWaalsContact O-CD2 3.28Å; H26-F30 WeakPolarHBondContact O-CD2 3.35Å; H26-F30 WeakPolarHBondContact O-CE2 3.15Å; V27-F30 PolarHBondContact O-N 3.38Å; K28-F30 PolarHBondContact O-N 3.31Å; K28-F30 VanDerWaalsContact O-N 3.15Å; F30-F42 WeakPolarHBondContact O-CE2 3.23Å; F30-F42 WeakPolarHBondContact O-CZ 3.42Å; F30-F315 HydrophobicContact CB-CE1 4.21Å; F30-F315 HydrophobicContact CB-CZ 4.37Å; F30-A321 HydrophobicContact CB-CB 4.36Å; F30-Y322 AromaticContact CD1-CE2 3.78Å; F30-Y322 HydrophobicContact CD1-CE2 3.78Å; F30-Y322 HydrophobicContact CE1-CE2 4.23Å
31L98.3Very high97.9Very high1 Ų181.3 Ų81.31%0.00542%0.421CS..Hα-helixtrans-103.1-32.1-177.9-55.6-174.8000112.4V27 K28 P44 S45 L49 F315 T319V27-L31 HydrophobicContact CG1-CD1 3.78Å; V27-L31 HydrophobicContact CG1-CG 4.27Å; K28-L31 PolarHBondContact O-N 2.78Å; K28-L31 VanDerWaalsContact O-N 3.14Å; L31-P44 CarbonylContact O-C 3.49Å; L31-P44 WeakPolarHBondContact O-CA 3.43Å; L31-S45 PolarHBondContact O-N 2.87Å; L31-L49 HydrophobicContact CD1-CB 4.05Å; L31-L49 HydrophobicContact CD1-CD1 4.39Å; L31-F315 HydrophobicContact CD2-CZ 3.9Å; L31-F315 HydrophobicContact CG-CZ 4.32Å; L31-T319 HydrophobicContact CD2-CG2 3.66Å
32E98.3Very high98Very high72 Ų7272.7 Ų72.734%0.33638%0.38SS..SBendtrans-94.2-4.6-176.6-61.3175178.900112.9K28 T46K28-E32 HydrophobicContact CB-CG 4.36Å; K28-E32 VanDerWaalsContact CD-OE1 3.26Å; K28-E32 WeakPolarHBondContact CD-OE1 3.15Å; K28-E32 WeakPolarHBondContact CG-OE1 3.5Å; K28-E32 IonicContact NZ-OE1 3.49Å; K28-E32 VanDerWaalsContact O-CB 3.32Å; K28-E32 WeakPolarHBondContact O-CB 3.47Å; K28-E32 WeakPolarHBondContact O-CG 3.45Å; K28-E32 PolarHBondContact O-N 3.42Å; E32-T46 HydrophobicContact CG-CG2 4.3Å
33R98.1Very high98Very high155 Ų15578.2 Ų78.259%0.58540%0.398SS*.  trans-130.5133.4-175.3-51.9178.4-177.2-171.9-4.2110.5K29 F42K29-R33 WeakPolarHBondContact O-CB 3.26Å; K29-R33 WeakPolarHBondContact O-CD 3.3Å; K29-R33 WeakPolarHBondContact O-CG 3.47Å; R33-F42 WeakPolarHBondContact O-CE1 3.34Å
34S97.2Very high98Very high85 Ų8579.3 Ų79.359%0.59441%0.409SS*.  trans-74.1166.6168-50.40000112P44S34-P44 VanDerWaalsContact OG-CG 3.26Å; S34-P44 WeakPolarHBondContact OG-CG 3.25Å
35G97.3Very high98Very high32 Ų3280.1 Ų80.133%0.3342%0.418SS..  trans-162.1168.9173.200000111.7F37 T38G35-F37 PolarHBondContact O-N 3.11Å; G35-T38 PolarHBondContact O-OG1 3.44Å; G35-T38 VanDerWaalsContact O-OG1 3.12Å
36P97.8Very high97.8Very high121 Ų12181.4 Ų81.479%0.78643%0.429SS*.THydrogen-bonded Turntrans-72.2-10.3-176.829.2-36000114.4
37F98.2Very high97.6Very high154 Ų15481.2 Ų81.268%0.67543%0.428SS*.THydrogen-bonded Turntrans-114.611.4-176.1-56.3-61000113G35 Y322G35-F37 PolarHBondContact O-N 3.11Å; F37-Y322 HydrophobicContact CB-CD1 3.97Å; F37-Y322 HydrophobicContact CB-CE1 3.9Å; F37-Y322 WeakPolarHBondContact O-CD1 3.49Å
38T98.1Very high97.5Very high37 Ų3782.5 Ų82.523%0.22744%0.438CS..SBendtrans-68.2155.4177.857.20000110.7G35 F42 A321G35-T38 PolarHBondContact O-OG1 3.44Å; G35-T38 VanDerWaalsContact O-OG1 3.12Å; T38-F42 HydrophobicContact CG2-CD1 3.54Å; T38-F42 HydrophobicContact CG2-CE1 3.96Å; T38-F42 HydrophobicContact CG2-CG 4.12Å; T38-A321 WeakPolarHBondContact CA-O 3.46Å
39H98.2Very high97.4Very high48 Ų4879.6 Ų79.622%0.22243%0.426CS..  trans-60.6150171-168.3-102.6000109.9D41 F42 S320H39-D41 IonicContact CE1-OD2 3.48Å; H39-D41 PolarHBondContact CE1-OD2 2.76Å; H39-D41 PolarHBondContact ND1-N 2.96Å; H39-D41 IonicContact ND1-OD2 2.76Å; H39-D41 PolarHBondContact ND1-OD2 3.2Å; H39-D41 PolarHBondContact O-N 2.8Å; H39-D41 VanDerWaalsContact O-N 3.17Å; H39-F42 WeakPolarHBondContact O-CB 3.37Å; H39-F42 PolarHBondContact O-N 2.79Å; H39-S320 WeakPolarHBondContact CB-O 3.39Å; H39-S320 PolarHBondContact N-O 2.78Å
40P97.9Very high97.3Very high110 Ų11079 Ų7971%0.71442%0.424SS*.THydrogen-bonded Turntrans-54.7-31.1176-29.737.4000114.6F42P40-F42 VanDerWaalsContact C-N 3.32Å
41D97.2Very high97.1Very high122 Ų12280.5 Ų80.565%0.65243%0.431SS*.THydrogen-bonded Turntrans-89.17.7179.4-54.1-35000113.6H39H39-D41 IonicContact CE1-OD2 3.48Å; H39-D41 PolarHBondContact CE1-OD2 2.76Å; H39-D41 PolarHBondContact ND1-N 2.96Å; H39-D41 IonicContact ND1-OD2 2.76Å; H39-D41 PolarHBondContact ND1-OD2 3.2Å; H39-D41 PolarHBondContact O-N 2.8Å; H39-D41 VanDerWaalsContact O-N 3.17Å
42F98.1Very high96.9Very high15 Ų1580.6 Ų80.67%0.06643%0.431CS..  trans-77.4126.8-179.4-178.7-105.4000112.1F30 R33 T38 H39 P40 P44 S320 A321F30-F42 WeakPolarHBondContact O-CE2 3.23Å; F30-F42 WeakPolarHBondContact O-CZ 3.42Å; R33-F42 WeakPolarHBondContact O-CE1 3.34Å; T38-F42 HydrophobicContact CG2-CD1 3.54Å; T38-F42 HydrophobicContact CG2-CE1 3.96Å; T38-F42 HydrophobicContact CG2-CG 4.12Å; H39-F42 WeakPolarHBondContact O-CB 3.37Å; H39-F42 PolarHBondContact O-N 2.79Å; P40-F42 VanDerWaalsContact C-N 3.32Å; F42-P44 HydrophobicContact CE1-CB 4.22Å; F42-S320 WeakPolarHBondContact CB-O 3.45Å; F42-A321 HydrophobicContact CD2-CB 4.47Å; F42-A321 HydrophobicContact CE2-CB 4.24Å
43E97.6Very high96.9Very high146 Ų14677.2 Ų77.268%0.68242%0.416SS*.  trans-119121.2171.9-72-64.3148.900110.2S45E43-S45 PolarHBondContact O-N 3.04Å
44P97.5Very high96.8Very high54 Ų5473.4 Ų73.435%0.35141%0.407SS..  trans-65.2123.7177.330.7-37.6000110.1L31 S34 F42L31-P44 CarbonylContact O-C 3.49Å; L31-P44 WeakPolarHBondContact O-CA 3.43Å; S34-P44 VanDerWaalsContact OG-CG 3.26Å; S34-P44 WeakPolarHBondContact OG-CG 3.25Å; F42-P44 HydrophobicContact CE1-CB 4.22Å
45S96.9Very high96.8Very high37 Ų3772.1 Ų72.126%0.25940%0.395SS..  trans-150.2143-178171.40000112.5L31 E43 E47 S48L31-S45 PolarHBondContact O-N 2.87Å; E43-S45 PolarHBondContact O-N 3.04Å; S45-E47 PolarHBondContact O-N 3.26Å; S45-E47 PolarHBondContact OG-N 3.08Å; S45-S48 WeakPolarHBondContact CB-OG 3.33Å
46T94.9Very high96.9Very high107 Ų10770.8 Ų70.866%0.65638%0.381SS*.SBendtrans-75.3-13.117252.60000112.7E32E32-T46 HydrophobicContact CG-CG2 4.3Å
47E94.6Very high96.9Very high145 Ų14568.7 Ų68.768%0.67836%0.36SS*.SBendtrans-93.4-22.9-178.5-60.1-178.1172.700112.7S45 L49 Q50 F51S45-E47 PolarHBondContact O-N 3.26Å; S45-E47 PolarHBondContact OG-N 3.08Å; E47-L49 PolarHBondContact O-N 3.04Å; E47-L49 VanDerWaalsContact O-N 3.16Å; E47-Q50 WeakPolarHBondContact O-CB 3.25Å; E47-Q50 PolarHBondContact O-N 2.94Å; E47-F51 PolarHBondContact O-N 2.78Å; E47-F51 VanDerWaalsContact O-N 3.11Å
48S95.8Very high96.9Very high40 Ų4061.3 Ų61.328%0.2833%0.327SS..Hα-helixtrans-57.3-34.1-177-61.70000113.5S45 F51 L52S45-S48 WeakPolarHBondContact CB-OG 3.33Å; S48-F51 PolarHBondContact O-N 3.05Å; S48-L52 WeakPolarHBondContact O-CB 3.49Å; S48-L52 PolarHBondContact O-N 2.96Å
49L97.1Very high97Very high12 Ų1259.6 Ų59.66%0.06332%0.317CS..Hα-helixtrans-64.6-42.3175.6176.662.4000111.5W24 V27 K28 L31 E47 F51 L52 L53W24-L49 HydrophobicContact CB-CD1 4.43Å; W24-L49 HydrophobicContact CB-CD2 3.58Å; W24-L49 HydrophobicContact CG-CD1 4.42Å; W24-L49 HydrophobicContact CG-CD2 3.94Å; V27-L49 HydrophobicContact CG1-CD1 3.89Å; K28-L49 HydrophobicContact CD-CD2 4.29Å; K28-L49 HydrophobicContact CG-CD2 3.76Å; L31-L49 HydrophobicContact CD1-CB 4.05Å; L31-L49 HydrophobicContact CD1-CD1 4.39Å; E47-L49 PolarHBondContact O-N 3.04Å; E47-L49 VanDerWaalsContact O-N 3.16Å; L49-F51 VanDerWaalsContact C-N 3.34Å; L49-L52 WeakPolarHBondContact O-CB 3.41Å; L49-L52 PolarHBondContact O-N 3.2Å; L49-L53 HydrophobicContact CD1-CD1 4.07Å; L49-L53 HydrophobicContact CD1-CG 4.19Å; L49-L53 HydrophobicContact CG-CD1 3.86Å; L49-L53 HydrophobicContact CG-CG 4.42Å; L49-L53 VanDerWaalsContact O-CG 3.28Å; L49-L53 WeakPolarHBondContact O-CG 3.45Å; L49-L53 PolarHBondContact O-N 3.16Å
50Q95.8Very high97Very high76 Ų7657.3 Ų57.336%0.35531%0.306SS..Hα-helixtrans-67.4-40.3-179.6-163.163.741.200110.6E47 L52 L53 D54E47-Q50 WeakPolarHBondContact O-CB 3.25Å; E47-Q50 PolarHBondContact O-N 2.94Å; Q50-L52 VanDerWaalsContact C-N 3.34Å; Q50-L52 PolarHBondContact O-N 3.32Å; Q50-L53 PolarHBondContact O-N 2.94Å; Q50-D54 WeakPolarHBondContact CG-OD2 3.44Å; Q50-D54 PolarHBondContact NE2-OD1 3.1Å; Q50-D54 VanDerWaalsContact NE2-OD1 3.16Å; Q50-D54 PolarHBondContact NE2-OD2 2.86Å; Q50-D54 WeakPolarHBondContact O-CB 3.2Å; Q50-D54 PolarHBondContact O-N 3.42Å
51F93.1Very high97Very high122 Ų12252.1 Ų52.154%0.53527%0.272SS..Hα-helixtrans-57.3-45.8172.7179.7-96.9000112.1E47 S48 L49 T55 C56E47-F51 PolarHBondContact O-N 2.78Å; E47-F51 VanDerWaalsContact O-N 3.11Å; S48-F51 PolarHBondContact O-N 3.05Å; L49-F51 VanDerWaalsContact C-N 3.34Å; F51-T55 HydrophobicContact CD2-CG2 4.1Å; F51-T55 WeakPolarHBondContact CD2-OG1 3.4Å; F51-T55 HydrophobicContact CE2-CG2 4.28Å; F51-T55 WeakPolarHBondContact CE2-OG1 3.44Å; F51-T55 WeakPolarHBondContact CZ-OG1 3.42Å; F51-T55 PolarHBondContact O-N 3.45Å; F51-T55 PolarHBondContact O-OG1 3.03Å; F51-C56 PolarHBondContact O-N 2.84Å
52L96.1Very high97Very high2 Ų246.6 Ų46.61%0.0125%0.245CC..Hα-helixtrans-61.6-43.4177.4-168.969000112.3S48 L49 Q50 C56 G78 F79 F315 A318 T319S48-L52 WeakPolarHBondContact O-CB 3.49Å; S48-L52 PolarHBondContact O-N 2.96Å; L49-L52 WeakPolarHBondContact O-CB 3.41Å; L49-L52 PolarHBondContact O-N 3.2Å; Q50-L52 VanDerWaalsContact C-N 3.34Å; Q50-L52 PolarHBondContact O-N 3.32Å; L52-C56 HydrophobicContact CD1-CB 4.02Å; L52-C56 WeakPolarHBondContact O-CB 3.46Å; L52-G78 CarbonylContact C-O 3.24Å; L52-F79 HydrophobicContact CD1-CD1 3.91Å; L52-F79 HydrophobicContact CD1-CE1 3.41Å; L52-F79 VanDerWaalsContact CD1-CE1 3.41Å; L52-F79 HydrophobicContact CD1-CZ 3.75Å; L52-F79 HydrophobicContact CG-CD1 4.32Å; L52-F79 HydrophobicContact CG-CE1 4.22Å; L52-F79 HydrophobicContact CG-CZ 4.48Å; L52-F315 HydrophobicContact CD2-CD2 4.3Å; L52-F315 HydrophobicContact CD2-CE2 3.98Å; L52-A318 HydrophobicContact CD1-CB 3.71Å; L52-T319 HydrophobicContact CD1-CG2 4.03Å; L52-T319 HydrophobicContact CD2-CG2 4.01Å
53L97.2Very high96.9Very high1 Ų145.9 Ų45.91%0.00524%0.242CC..Hα-helixtrans-67.5-43.8-179.8-71.3165.9000111.8W24 L49 Q50 G78 R80W24-L53 HydrophobicContact CH2-CD2 4.39Å; W24-L53 HydrophobicContact CZ2-CD2 3.78Å; L49-L53 HydrophobicContact CD1-CD1 4.07Å; L49-L53 HydrophobicContact CD1-CG 4.19Å; L49-L53 HydrophobicContact CG-CD1 3.86Å; L49-L53 HydrophobicContact CG-CG 4.42Å; L49-L53 VanDerWaalsContact O-CG 3.28Å; L49-L53 WeakPolarHBondContact O-CG 3.45Å; L49-L53 PolarHBondContact O-N 3.16Å; Q50-L53 PolarHBondContact O-N 2.94Å; L53-G78 WeakPolarHBondContact CA-O 3.06Å; L53-G78 VanDerWaalsContact CD2-O 3.23Å; L53-G78 WeakPolarHBondContact CD2-O 3.14Å; L53-G78 PolarHBondContact N-O 2.96Å; L53-R80 HydrophobicContact CB-CG 4.4Å; L53-R80 HydrophobicContact CD2-CG 3.8Å; L53-R80 VanDerWaalsContact O-CB 3.3Å; L53-R80 WeakPolarHBondContact O-CB 3.33Å
54D96.6Very high96.6Very high75 Ų7539.7 Ų39.740%0.40122%0.217SC..Hα-helixtrans-95.1-34.2-166.6-65.9-13.9000113.7Q50 R80 Q81Q50-D54 WeakPolarHBondContact CG-OD2 3.44Å; Q50-D54 PolarHBondContact NE2-OD1 3.1Å; Q50-D54 VanDerWaalsContact NE2-OD1 3.16Å; Q50-D54 PolarHBondContact NE2-OD2 2.86Å; Q50-D54 WeakPolarHBondContact O-CB 3.2Å; Q50-D54 PolarHBondContact O-N 3.42Å; D54-R80 IonicContact OD1-NH1 3.36Å; D54-Q81 WeakPolarHBondContact O-CG 3.34Å
55T97.1Very high96.4Very high58 Ų5837.2 Ų37.236%0.35620%0.201SC..THydrogen-bonded Turntrans-113.4-30-167.172.90000114F51 K57 H146F51-T55 HydrophobicContact CD2-CG2 4.1Å; F51-T55 WeakPolarHBondContact CD2-OG1 3.4Å; F51-T55 HydrophobicContact CE2-CG2 4.28Å; F51-T55 WeakPolarHBondContact CE2-OG1 3.44Å; F51-T55 WeakPolarHBondContact CZ-OG1 3.42Å; F51-T55 PolarHBondContact O-N 3.45Å; F51-T55 PolarHBondContact O-OG1 3.03Å; T55-K57 PolarHBondContact O-N 3.45Å; T55-H146 PolarHBondContact O-CE1 3.39Å
56C98.2Very high96.4Very high5 Ų535.7 Ų35.73%0.03419%0.19CC..  trans-74.489.7-171.3-172.50000112.2F51 L52 V58 F79F51-C56 PolarHBondContact O-N 2.84Å; L52-C56 HydrophobicContact CD1-CB 4.02Å; L52-C56 WeakPolarHBondContact O-CB 3.46Å; C56-V58 PolarHBondContact O-N 3.48Å; C56-F79 HydrophobicContact CB-CD1 4.46Å
57K98.7Very high96.5Very high76 Ų7630.6 Ų30.633%0.3316%0.159SC..  trans-69.1119.6172.5-66.5-176.8175.6-174.60112.6T55 Q81 Q144 F145 H146T55-K57 PolarHBondContact O-N 3.45Å; K57-Q81 WeakPolarHBondContact CA-O 3.44Å; K57-Q81 HydrophobicContact CG-CB 4.03Å; K57-Q144 WeakPolarHBondContact CD-O 3.49Å; K57-F145 HydrophobicContact CB-CD1 4.1Å; K57-H146 PolarHBondContact N-ND1 3.05Å; K57-H146 PolarHBondContact O-N 3.29Å
58V98.8Very high96.7Very high0 Ų023.7 Ų23.70%013%0.126CC..EExtended strand (participates in β ladder)trans-121.2134.4176.7-179.80000110.1C56 L74 F79 Q81 I82 H83 I147 V149 V314C56-V58 PolarHBondContact O-N 3.48Å; V58-L74 HydrophobicContact CG1-CD1 3.92Å; V58-F79 HydrophobicContact CG2-CD1 3.54Å; V58-F79 HydrophobicContact CG2-CE1 3.73Å; V58-F79 HydrophobicContact CG2-CG 4.42Å; V58-Q81 PolarHBondContact N-O 3.2Å; V58-I82 CarbonylContact O-C 3.59Å; V58-I82 WeakPolarHBondContact O-CA 3.18Å; V58-H83 PolarHBondContact O-N 3.01Å; V58-I147 WeakPolarHBondContact CA-O 3.39Å; V58-I147 HydrophobicContact CG2-CB 4.48Å; V58-V149 HydrophobicContact CG1-CG1 4.41Å; V58-V314 HydrophobicContact CG1-CG1 4.21Å; V58-V314 HydrophobicContact CG2-CG1 4.18Å
59L98.9Very high96.8Very high0 Ų023 Ų230%012%0.119CC..EExtended strand (participates in β ladder)trans-104.3127.6173.6176.365000110.8I61 H83 I85 F141 Y142 F145 I147 I148 V149L59-I61 HydrophobicContact CD2-CD1 3.96Å; L59-I61 HydrophobicContact CD2-CG1 3.86Å; L59-I61 HydrophobicContact CG-CD1 4.48Å; L59-I61 HydrophobicContact CG-CG1 3.88Å; L59-H83 HydrophobicContact CD1-CB 3.63Å; L59-I85 HydrophobicContact CD1-CD1 3.83Å; L59-I85 HydrophobicContact CD1-CG1 3.94Å; L59-I85 HydrophobicContact CD2-CD1 3.97Å; L59-I85 HydrophobicContact CG-CD1 4.45Å; L59-F141 HydrophobicContact CD2-CE1 4.07Å; L59-Y142 HydrophobicContact CD2-CD1 3.92Å; L59-Y142 HydrophobicContact CD2-CE1 3.81Å; L59-F145 HydrophobicContact CB-CB 4.4Å; L59-F145 HydrophobicContact CB-CD1 3.7Å; L59-F145 HydrophobicContact CB-CD2 3.87Å; L59-F145 HydrophobicContact CB-CE1 3.88Å; L59-F145 HydrophobicContact CB-CE2 4.03Å; L59-F145 HydrophobicContact CB-CG 3.7Å; L59-F145 HydrophobicContact CB-CZ 4.04Å; L59-F145 HydrophobicContact CD1-CE1 4.43Å; L59-F145 HydrophobicContact CD1-CE2 4.34Å; L59-F145 HydrophobicContact CD1-CZ 4.05Å; L59-F145 HydrophobicContact CD2-CD2 3.95Å; L59-F145 HydrophobicContact CD2-CE2 3.79Å; L59-F145 HydrophobicContact CD2-CZ 4.33Å; L59-F145 HydrophobicContact CG-CD2 4.46Å; L59-F145 HydrophobicContact CG-CE2 4.28Å; L59-F145 HydrophobicContact CG-CZ 4.36Å; L59-I147 PolarHBondContact N-O 3.24Å; L59-I148 HydrophobicContact CB-CG1 4.15Å; L59-I148 HydrophobicContact CB-CG2 4.45Å; L59-I148 HydrophobicContact CD2-CD1 4.09Å; L59-I148 HydrophobicContact CD2-CG1 4.35Å; L59-I148 HydrophobicContact CD2-CG2 4.27Å; L59-I148 HydrophobicContact CG-CG2 4.45Å; L59-I148 CarbonylContact O-C 3.55Å; L59-I148 WeakPolarHBondContact O-CA 3.48Å; L59-V149 PolarHBondContact O-N 3.42Å
60V98.9Very high96.9Very high0 Ų022.4 Ų22.40%012%0.116CC..EExtended strand (participates in β ladder)trans-99.6124.7168.1-176.30000109L70 L71 L74 I82 H83 V84 I85 V149V60-L70 HydrophobicContact CG1-CB 4.27Å; V60-L70 HydrophobicContact CG1-CD1 4.09Å; V60-L71 HydrophobicContact CB-CD2 4.37Å; V60-L71 HydrophobicContact CG2-CD2 3.98Å; V60-L74 HydrophobicContact CG2-CD1 3.66Å; V60-I82 HydrophobicContact CG2-CG2 3.96Å; V60-H83 PolarHBondContact N-O 2.9Å; V60-V84 HydrophobicContact CB-CG2 4.43Å; V60-V84 VanDerWaalsContact O-CA 3.28Å; V60-V84 WeakPolarHBondContact O-CA 3.16Å; V60-I85 PolarHBondContact O-N 3.44Å; V60-V149 CarbonylContact C-O 3.57Å; V60-V149 WeakPolarHBondContact CA-O 3.49Å; V60-V149 HydrophobicContact CB-CG1 4.27Å; V60-V149 HydrophobicContact CG1-CG1 4.43Å; V60-V149 HydrophobicContact CG2-CG1 3.75Å
61I98.7Very high97.1Very high1 Ų118.8 Ų18.81%0.00510%0.099CC..EExtended strand (participates in β ladder)trans-108.8118.1177.5-58-177.9000109.4L59 I134 Y142 I148 V149 G151 L152 I161L59-I61 HydrophobicContact CD2-CD1 3.96Å; L59-I61 HydrophobicContact CD2-CG1 3.86Å; L59-I61 HydrophobicContact CG-CD1 4.48Å; L59-I61 HydrophobicContact CG-CG1 3.88Å; I61-I134 HydrophobicContact CD1-CG2 4.25Å; I61-I134 HydrophobicContact CG2-CG2 3.38Å; I61-Y142 HydrophobicContact CD1-CE1 4.42Å; I61-I148 HydrophobicContact CD1-CG2 3.56Å; I61-I148 HydrophobicContact CG1-CG2 3.99Å; I61-V149 PolarHBondContact N-O 3.19Å; I61-G151 PolarHBondContact O-N 3.14Å; I61-L152 HydrophobicContact CG2-CD1 4.18Å; I61-L152 HydrophobicContact CG2-CD2 3.56Å; I61-L152 HydrophobicContact CG2-CG 3.92Å; I61-I161 HydrophobicContact CD1-CD1 3.63Å; I61-I161 HydrophobicContact CD1-CG1 3.68Å
62G97.5Very high97.3Very high7 Ų715.9 Ų15.97%0.0729%0.086CC..  trans89.7124-169.500000111G67 I85G62-G67 WeakPolarHBondContact O-CA 3.49Å; G62-I85 WeakPolarHBondContact CA-O 3.31Å; G62-I85 PolarHBondContact N-O 3.43Å
63A95.9Very high97.5Very high0 Ų016.9 Ų16.90%09%0.091CC..  trans-101.80.4176.100000112.5C68 V84 D86 K110 A114A63-C68 PolarHBondContact O-SG 3.18Å; A63-V84 HydrophobicContact CB-CG2 3.9Å; A63-D86 WeakPolarHBondContact CA-OD2 3.49Å; A63-D86 HydrophobicContact CB-CB 3.67Å; A63-D86 PolarHBondContact N-OD2 3.41Å; A63-K110 HydrophobicContact CB-CB 4Å; A63-A114 HydrophobicContact CB-CB 4.4Å
64G90Very high97.5Very high16 Ų1616.9 Ų16.917%0.1659%0.091CC..SBendtrans-86.3132.8177.300000113.6L66 G67G64-L66 PolarHBondContact O-N 2.98Å; G64-G67 PolarHBondContact O-N 3.34Å
65G93.8Very high97.6Very high2 Ų213.3 Ų13.32%0.0217%0.072CC..THydrogen-bonded Turntrans58.1-9016800000113.2G67 C68 E69G65-G67 VanDerWaalsContact C-N 3.28Å; G65-G67 PolarHBondContact O-N 2.83Å; G65-C68 PolarHBondContact O-N 2.8Å; G65-E69 PolarHBondContact O-N 2.75Å
66L96.4Very high97.7Very high4 Ų415.6 Ų15.62%0.0218%0.082CC..Hα-helixtrans-54.6-43.3170.5-152.2160.1000111.2G64 E69 L70 T189 N303 I306 A307G64-L66 PolarHBondContact O-N 2.98Å; L66-E69 PolarHBondContact O-N 2.88Å; L66-L70 HydrophobicContact CD2-CD1 3.26Å; L66-L70 HydrophobicContact CD2-CD2 4.26Å; L66-L70 HydrophobicContact CD2-CG 3.59Å; L66-L70 WeakPolarHBondContact O-CB 3.33Å; L66-L70 VanDerWaalsContact O-CG 3.31Å; L66-L70 WeakPolarHBondContact O-CG 3.41Å; L66-L70 PolarHBondContact O-N 2.8Å; L66-T189 HydrophobicContact CD1-CG2 4.1Å; L66-N303 PolarHBondContact N-OD1 3.29Å; L66-I306 HydrophobicContact CD1-CB 4.37Å; L66-I306 HydrophobicContact CD1-CG2 3.78Å; L66-I306 HydrophobicContact CG-CG2 4.5Å; L66-A307 HydrophobicContact CD2-CB 4.17Å; L66-A307 HydrophobicContact CG-CB 4.26Å
67G97.7Very high97.7Very high0 Ų016.8 Ų16.80%09%0.09CC..Hα-helixtrans-59-47.717800000114.4G62 G64 G65 E69 L70 L71G62-G67 WeakPolarHBondContact O-CA 3.49Å; G64-G67 PolarHBondContact O-N 3.34Å; G65-G67 VanDerWaalsContact C-N 3.28Å; G65-G67 PolarHBondContact O-N 2.83Å; G67-E69 VanDerWaalsContact C-N 3.33Å; G67-E69 PolarHBondContact O-N 2.86Å; G67-L70 PolarHBondContact O-N 3.02Å; G67-L71 WeakPolarHBondContact O-CB 3.45Å; G67-L71 WeakPolarHBondContact O-CG 3.27Å; G67-L71 PolarHBondContact O-N 2.82Å
68C98.4Very high97.7Very high0 Ų013.1 Ų13.10%07%0.074CC..Hα-helixtrans-58.4-44.8175.5-74.70000112.1A63 G65 K72 F99 L100A63-C68 PolarHBondContact O-SG 3.18Å; G65-C68 PolarHBondContact O-N 2.8Å; C68-K72 PolarHBondContact O-N 2.78Å; C68-F99 HydrophobicContact CB-CD1 4.32Å; C68-F99 HydrophobicContact CB-CE1 3.92Å; C68-F99 HydrophobicContact CB-CZ 4.37Å; C68-F99 WeakPolarHBondContact O-CZ 3.48Å; C68-L100 HydrophobicContact CB-CD1 3.92Å; C68-L100 HydrophobicContact CB-CG 3.96Å
69E98.8Very high97.7Very high25 Ų2513.2 Ų13.212%0.1178%0.075CC..Hα-helixtrans-67.2-42.1178.5-79.9-72.2171.300112.1G65 L66 G67 K72 N73 F99 A304 A307G65-E69 PolarHBondContact O-N 2.75Å; L66-E69 PolarHBondContact O-N 2.88Å; G67-E69 VanDerWaalsContact C-N 3.33Å; G67-E69 PolarHBondContact O-N 2.86Å; E69-K72 PolarHBondContact O-N 3.22Å; E69-K72 WeakPolarHBondContact OE2-CE 3.4Å; E69-K72 IonicContact OE2-NZ 2.82Å; E69-K72 PolarHBondContact OE2-NZ 2.91Å; E69-N73 WeakPolarHBondContact O-CB 3.05Å; E69-N73 PolarHBondContact O-N 3Å; E69-N73 PolarHBondContact O-ND2 2.9Å; E69-N73 PolarHBondContact O-OD1 2.75Å; E69-F99 HydrophobicContact CG-CE1 4.05Å; E69-A304 HydrophobicContact CG-CB 4.21Å; E69-A307 HydrophobicContact CB-CB 3.32Å; E69-A307 HydrophobicContact CG-CB 4.42Å
70L98.8Very high97.6Very high0 Ų014.3 Ų14.30%08%0.079CC..Hα-helixtrans-58-50.2175-78.1171000111.4V60 L66 G67 K72 N73 L74 V149 A307 C310 A311V60-L70 HydrophobicContact CG1-CB 4.27Å; V60-L70 HydrophobicContact CG1-CD1 4.09Å; L66-L70 HydrophobicContact CD2-CD1 3.26Å; L66-L70 HydrophobicContact CD2-CD2 4.26Å; L66-L70 HydrophobicContact CD2-CG 3.59Å; L66-L70 WeakPolarHBondContact O-CB 3.33Å; L66-L70 VanDerWaalsContact O-CG 3.31Å; L66-L70 WeakPolarHBondContact O-CG 3.41Å; L66-L70 PolarHBondContact O-N 2.8Å; G67-L70 PolarHBondContact O-N 3.02Å; L70-K72 PolarHBondContact O-N 3.35Å; L70-N73 PolarHBondContact O-N 3.22Å; L70-N73 VanDerWaalsContact O-N 3.1Å; L70-L74 WeakPolarHBondContact O-CB 3.2Å; L70-L74 VanDerWaalsContact O-CG 3.28Å; L70-L74 WeakPolarHBondContact O-CG 3.41Å; L70-L74 PolarHBondContact O-N 2.94Å; L70-V149 HydrophobicContact CD1-CB 4.45Å; L70-V149 HydrophobicContact CD1-CG1 4.06Å; L70-V149 HydrophobicContact CD1-CG2 3.64Å; L70-V149 HydrophobicContact CD2-CG1 4.45Å; L70-V149 HydrophobicContact CD2-CG2 3.63Å; L70-V149 HydrophobicContact CG-CG2 4.28Å; L70-A307 HydrophobicContact CD2-CB 4.23Å; L70-A307 HydrophobicContact CG-CB 4.07Å; L70-C310 HydrophobicContact CD2-CB 3.75Å; L70-A311 HydrophobicContact CD2-CB 4.29Å
71L98.8Very high97.6Very high0 Ų016.4 Ų16.40%09%0.089CC..Hα-helixtrans-53.4-53178.3-80.3176.5000111.2V60 G67 N73 L74 A75 I82 V84 L100 A114 L118 V127V60-L71 HydrophobicContact CB-CD2 4.37Å; V60-L71 HydrophobicContact CG2-CD2 3.98Å; G67-L71 WeakPolarHBondContact O-CB 3.45Å; G67-L71 WeakPolarHBondContact O-CG 3.27Å; G67-L71 PolarHBondContact O-N 2.82Å; L71-N73 VanDerWaalsContact C-N 3.33Å; L71-N73 PolarHBondContact O-N 3.04Å; L71-L74 PolarHBondContact O-N 2.84Å; L71-A75 VanDerWaalsContact O-CB 3.28Å; L71-A75 WeakPolarHBondContact O-CB 3.31Å; L71-A75 PolarHBondContact O-N 2.9Å; L71-I82 HydrophobicContact CD2-CG2 3.69Å; L71-V84 HydrophobicContact CD1-CG2 4.26Å; L71-V84 HydrophobicContact CD2-CB 4.36Å; L71-L100 HydrophobicContact CD1-CD1 4.05Å; L71-A114 HydrophobicContact CD1-CB 3.81Å; L71-L118 HydrophobicContact CB-CD1 4.39Å; L71-L118 HydrophobicContact CB-CD2 3.72Å; L71-L118 HydrophobicContact CD2-CD2 4.29Å; L71-L118 WeakPolarHBondContact O-CD2 3.34Å; L71-V127 HydrophobicContact CD2-CG1 4.07Å
72K98.8Very high97.6Very high61 Ų6116.4 Ų16.427%0.2659%0.088SC..Hα-helixtrans-55.4-48.2174.9170.3-176.958.867.60111.9C68 E69 L70 L76 F99C68-K72 PolarHBondContact O-N 2.78Å; E69-K72 PolarHBondContact O-N 3.22Å; E69-K72 WeakPolarHBondContact OE2-CE 3.4Å; E69-K72 IonicContact OE2-NZ 2.82Å; E69-K72 PolarHBondContact OE2-NZ 2.91Å; L70-K72 PolarHBondContact O-N 3.35Å; K72-L76 HydrophobicContact CG-CD1 3.98Å; K72-L76 WeakPolarHBondContact O-CB 3.39Å; K72-L76 WeakPolarHBondContact O-CG 3.41Å; K72-L76 PolarHBondContact O-N 3.49Å; K72-L76 VanDerWaalsContact O-N 3.09Å; K72-F99 HydrophobicContact CB-CE2 4.49Å; K72-F99 HydrophobicContact CB-CZ 3.83Å; K72-F99 HydrophobicContact CD-CE2 4.32Å; K72-F99 HydrophobicContact CD-CZ 3.9Å; K72-F99 HydrophobicContact CG-CZ 4.45Å
73N98.8Very high97.7Very high24 Ų2417.1 Ų17.113%0.1289%0.09CC..Hα-helixtrans-64.7-46-174.8-67.5-13.6000111.6E69 L70 L71 L76 S77 A307 A308 A311E69-N73 WeakPolarHBondContact O-CB 3.05Å; E69-N73 PolarHBondContact O-N 3Å; E69-N73 PolarHBondContact O-ND2 2.9Å; E69-N73 PolarHBondContact O-OD1 2.75Å; L70-N73 PolarHBondContact O-N 3.22Å; L70-N73 VanDerWaalsContact O-N 3.1Å; L71-N73 VanDerWaalsContact C-N 3.33Å; L71-N73 PolarHBondContact O-N 3.04Å; N73-L76 PolarHBondContact O-N 2.99Å; N73-S77 VanDerWaalsContact O-CB 3.29Å; N73-S77 WeakPolarHBondContact O-CB 3.38Å; N73-S77 PolarHBondContact O-N 3.35Å; N73-S77 VanDerWaalsContact O-N 3.08Å; N73-S77 PolarHBondContact O-OG 3.02Å; N73-A307 PolarHBondContact ND2-O 3.14Å; N73-A308 WeakPolarHBondContact ND2-CA 3.5Å; N73-A308 PolarHBondContact ND2-N 3.27Å; N73-A311 HydrophobicContact CB-CB 3.36Å
74L98.8Very high97.8Very high0 Ų017.1 Ų17.10%09%0.09CC..Hα-helixtrans-63.2-47.7177.7-66.8176.3000111.2V58 V60 L70 L71 L76 S77 G78 F79 I82 V149 A311 V314V58-L74 HydrophobicContact CG1-CD1 3.92Å; V60-L74 HydrophobicContact CG2-CD1 3.66Å; L70-L74 WeakPolarHBondContact O-CB 3.2Å; L70-L74 VanDerWaalsContact O-CG 3.28Å; L70-L74 WeakPolarHBondContact O-CG 3.41Å; L70-L74 PolarHBondContact O-N 2.94Å; L71-L74 PolarHBondContact O-N 2.84Å; L74-L76 VanDerWaalsContact C-N 3.25Å; L74-L76 PolarHBondContact O-N 2.96Å; L74-S77 PolarHBondContact O-N 3.33Å; L74-G78 PolarHBondContact O-N 2.77Å; L74-F79 HydrophobicContact CB-CB 4.3Å; L74-F79 HydrophobicContact CB-CD2 4.18Å; L74-F79 HydrophobicContact CB-CG 4.49Å; L74-F79 HydrophobicContact CD2-CD2 3.88Å; L74-F79 HydrophobicContact CD2-CE2 3.97Å; L74-F79 HydrophobicContact CD2-CG 4.46Å; L74-F79 WeakPolarHBondContact O-CD2 3.28Å; L74-F79 PolarHBondContact O-N 3.42Å; L74-I82 HydrophobicContact CB-CD1 3.82Å; L74-V149 HydrophobicContact CD1-CG1 4.13Å; L74-A311 HydrophobicContact CD2-CB 4.33Å; L74-V314 HydrophobicContact CD2-CB 3.77Å; L74-V314 HydrophobicContact CD2-CG1 3.66Å; L74-V314 HydrophobicContact CD2-CG2 4.04Å
75A98.6Very high98.2Very high1 Ų116.5 Ų16.51%0.0088%0.083CC..Hα-helixtrans-58.4-37.6179.100000112.4W24 L71 S77 I82 L118 V122W24-A75 WeakPolarHBondContact CH2-O 3.22Å; L71-A75 VanDerWaalsContact O-CB 3.28Å; L71-A75 WeakPolarHBondContact O-CB 3.31Å; L71-A75 PolarHBondContact O-N 2.9Å; A75-S77 VanDerWaalsContact C-N 3.34Å; A75-I82 HydrophobicContact CB-CD1 4.47Å; A75-L118 HydrophobicContact CB-CD2 3.81Å; A75-L118 HydrophobicContact CB-CG 4.36Å; A75-V122 HydrophobicContact CB-CB 4.37Å; A75-V122 HydrophobicContact CB-CG1 4.17Å; A75-V122 HydrophobicContact CB-CG2 4.17Å
76L98.6Very high98.5Very high105 Ų10517.1 Ų17.155%0.559%0.086SC..THydrogen-bonded Turntrans-85.9-1.5177.2-64.2176.4000114.2K72 N73 L74 V122K72-L76 HydrophobicContact CG-CD1 3.98Å; K72-L76 WeakPolarHBondContact O-CB 3.39Å; K72-L76 WeakPolarHBondContact O-CG 3.41Å; K72-L76 PolarHBondContact O-N 3.49Å; K72-L76 VanDerWaalsContact O-N 3.09Å; N73-L76 PolarHBondContact O-N 2.99Å; L74-L76 VanDerWaalsContact C-N 3.25Å; L74-L76 PolarHBondContact O-N 2.96Å; L76-V122 HydrophobicContact CD2-CG1 4.48Å; L76-V122 HydrophobicContact CD2-CG2 4.29Å
77S98.7Very high98.5Very high30 Ų3021.4 Ų21.421%0.2111%0.107CC..THydrogen-bonded Turntrans-1069177.9-57.60000113.5N73 L74 A75N73-S77 VanDerWaalsContact O-CB 3.29Å; N73-S77 WeakPolarHBondContact O-CB 3.38Å; N73-S77 PolarHBondContact O-N 3.35Å; N73-S77 VanDerWaalsContact O-N 3.08Å; N73-S77 PolarHBondContact O-OG 3.02Å; L74-S77 PolarHBondContact O-N 3.33Å; A75-S77 VanDerWaalsContact C-N 3.34Å
78G97.8Very high98.4Very high0 Ų023.9 Ų23.90%012%0.12CC..THydrogen-bonded Turntrans96.412.917500000115L52 L53 L74L52-G78 CarbonylContact C-O 3.24Å; L53-G78 WeakPolarHBondContact CA-O 3.06Å; L53-G78 VanDerWaalsContact CD2-O 3.23Å; L53-G78 WeakPolarHBondContact CD2-O 3.14Å; L53-G78 PolarHBondContact N-O 2.96Å; L74-G78 PolarHBondContact O-N 2.77Å
79F98.5Very high98.4Very high2 Ų227.3 Ų27.31%0.00914%0.141CC..  trans-92.9126.4172.6-61.5-88.4000110.3L52 C56 V58 L74 I82 V314 F315 A318L52-F79 HydrophobicContact CD1-CD1 3.91Å; L52-F79 HydrophobicContact CD1-CE1 3.41Å; L52-F79 VanDerWaalsContact CD1-CE1 3.41Å; L52-F79 HydrophobicContact CD1-CZ 3.75Å; L52-F79 HydrophobicContact CG-CD1 4.32Å; L52-F79 HydrophobicContact CG-CE1 4.22Å; L52-F79 HydrophobicContact CG-CZ 4.48Å; C56-F79 HydrophobicContact CB-CD1 4.46Å; V58-F79 HydrophobicContact CG2-CD1 3.54Å; V58-F79 HydrophobicContact CG2-CE1 3.73Å; V58-F79 HydrophobicContact CG2-CG 4.42Å; L74-F79 HydrophobicContact CB-CB 4.3Å; L74-F79 HydrophobicContact CB-CD2 4.18Å; L74-F79 HydrophobicContact CB-CG 4.49Å; L74-F79 HydrophobicContact CD2-CD2 3.88Å; L74-F79 HydrophobicContact CD2-CE2 3.97Å; L74-F79 HydrophobicContact CD2-CG 4.46Å; L74-F79 WeakPolarHBondContact O-CD2 3.28Å; L74-F79 PolarHBondContact O-N 3.42Å; F79-I82 HydrophobicContact CB-CD1 4.06Å; F79-I82 HydrophobicContact CB-CG1 4.1Å; F79-V314 HydrophobicContact CE1-CG1 3.99Å; F79-V314 HydrophobicContact CE2-CG1 4.19Å; F79-V314 HydrophobicContact CZ-CG1 3.65Å; F79-F315 HydrophobicContact CE2-CB 4.38Å; F79-F315 HydrophobicContact CE2-CD2 4.23Å; F79-A318 HydrophobicContact CE1-CB 3.72Å; F79-A318 HydrophobicContact CZ-CB 3.76Å
80R98.2Very high98.3Very high23 Ų2326.2 Ų26.29%0.08714%0.136CC..  trans-107.8-38.2171-59.8176.7165.5157.1-0.7113.3D19 L53 D54 I82 N124 N126D19-R80 IonicContact OD1-NH2 2.76Å; D19-R80 PolarHBondContact OD1-NH2 3.09Å; D19-R80 IonicContact OD2-CZ 3.43Å; D19-R80 IonicContact OD2-NH2 3.86Å; D19-R80 PolarHBondContact OD2-NH2 2.89Å; L53-R80 HydrophobicContact CB-CG 4.4Å; L53-R80 HydrophobicContact CD2-CG 3.8Å; L53-R80 VanDerWaalsContact O-CB 3.3Å; L53-R80 WeakPolarHBondContact O-CB 3.33Å; D54-R80 IonicContact OD1-NH1 3.36Å; R80-I82 VanDerWaalsContact C-N 3.28Å; R80-I82 PolarHBondContact O-N 3.06Å; R80-N124 WeakPolarHBondContact CD-O 3.48Å; R80-N124 VanDerWaalsContact CG-O 3.3Å; R80-N124 WeakPolarHBondContact CG-O 3.23Å; R80-N124 PolarHBondContact NE-O 2.88Å; R80-N126 CarbonylContact O-C 3.5Å; R80-N126 VanDerWaalsContact O-C 3.24Å; R80-N126 WeakPolarHBondContact O-CA 3.34Å; R80-N126 WeakPolarHBondContact O-CB 3.32Å; R80-N126 PolarHBondContact O-N 3.35Å
81Q98.5Very high98.1Very high44 Ų4428.6 Ų28.621%0.20615%0.149CC..EExtended strand (participates in β ladder)trans-80.973.5-176.3-51.7-51-36.200110.9D54 K57 V58 N126D54-Q81 WeakPolarHBondContact O-CG 3.34Å; K57-Q81 WeakPolarHBondContact CA-O 3.44Å; K57-Q81 HydrophobicContact CG-CB 4.03Å; V58-Q81 PolarHBondContact N-O 3.2Å; Q81-N126 PolarHBondContact OE1-ND2 3.5Å
82I98.8Very high97.9Very high0 Ų033.1 Ų33.10%018%0.176CC..EExtended strand (participates in β ladder)trans-108.6131.7-174.7-56.8172.4000109V58 V60 L71 L74 A75 F79 R80 N126 V127 V128V58-I82 CarbonylContact O-C 3.59Å; V58-I82 WeakPolarHBondContact O-CA 3.18Å; V60-I82 HydrophobicContact CG2-CG2 3.96Å; L71-I82 HydrophobicContact CD2-CG2 3.69Å; L74-I82 HydrophobicContact CB-CD1 3.82Å; A75-I82 HydrophobicContact CB-CD1 4.47Å; F79-I82 HydrophobicContact CB-CD1 4.06Å; F79-I82 HydrophobicContact CB-CG1 4.1Å; R80-I82 VanDerWaalsContact C-N 3.28Å; R80-I82 PolarHBondContact O-N 3.06Å; I82-N126 PolarHBondContact N-O 3.13Å; I82-N126 VanDerWaalsContact O-O 3.11Å; I82-V127 HydrophobicContact CB-CG2 4.3Å; I82-V127 CarbonylContact O-C 3.48Å; I82-V127 VanDerWaalsContact O-CA 3.23Å; I82-V127 WeakPolarHBondContact O-CA 3.25Å; I82-V128 PolarHBondContact O-N 2.85Å
83H98.9Very high97.7Very high23 Ų2332.9 Ų32.911%0.10618%0.182CC..EExtended strand (participates in β ladder)trans-108.8148.4168.6-74.5-137.8000109.1V58 L59 V60 V128 H130 F145V58-H83 PolarHBondContact O-N 3.01Å; L59-H83 HydrophobicContact CD1-CB 3.63Å; V60-H83 PolarHBondContact N-O 2.9Å; H83-V128 WeakPolarHBondContact CA-O 3.27Å; H83-H130 AromaticContact CE1-NE2 3.86Å; H83-H130 AromaticContact CG-NE2 3.76Å; H83-H130 AromaticContact ND1-CD2 3.94Å; H83-H130 AromaticContact ND1-CE1 3.84Å; H83-H130 AromaticContact ND1-NE2 3Å; H83-H130 PolarHBondContact ND1-NE2 3.05Å; H83-F145 HydrophobicContact CB-CE1 3.65Å; H83-F145 HydrophobicContact CB-CZ 3.89Å; H83-F145 AromaticContact CD2-CE1 3.86Å; H83-F145 AromaticContact CG-CE1 3.5Å; H83-F145 AromaticContact CG-CZ 3.79Å; H83-F145 AromaticContact ND1-CE1 3.78Å; H83-F145 AromaticContact ND1-CZ 3.67Å
84V98.8Very high97.6Very high0 Ų032.3 Ų32.30%018%0.179CC..EExtended strand (participates in β ladder)trans-130.8126.5173.960.90000111.4V60 A63 L71 A111 V127 V128 P129 H130V60-V84 HydrophobicContact CB-CG2 4.43Å; V60-V84 VanDerWaalsContact O-CA 3.28Å; V60-V84 WeakPolarHBondContact O-CA 3.16Å; A63-V84 HydrophobicContact CB-CG2 3.9Å; L71-V84 HydrophobicContact CD1-CG2 4.26Å; L71-V84 HydrophobicContact CD2-CB 4.36Å; V84-A111 HydrophobicContact CG1-CB 4.25Å; V84-V127 HydrophobicContact CB-CG1 4.47Å; V84-V127 HydrophobicContact CG1-CG1 3.82Å; V84-V128 PolarHBondContact N-O 2.85Å; V84-P129 HydrophobicContact CG1-CB 4.33Å; V84-P129 CarbonylContact O-C 3.52Å; V84-H130 WeakPolarHBondContact O-CB 3.47Å; V84-H130 PolarHBondContact O-N 3.03Å
85I98.8Very high97.5Very high3 Ų334.7 Ų34.72%0.01519%0.191CC..EExtended strand (participates in β ladder)trans-106.7128.2172.6-64.7165.7000109.3L59 V60 G62 H130 N132 I134 F137 F141 Y142L59-I85 HydrophobicContact CD1-CD1 3.83Å; L59-I85 HydrophobicContact CD1-CG1 3.94Å; L59-I85 HydrophobicContact CD2-CD1 3.97Å; L59-I85 HydrophobicContact CG-CD1 4.45Å; V60-I85 PolarHBondContact O-N 3.44Å; G62-I85 WeakPolarHBondContact CA-O 3.31Å; G62-I85 PolarHBondContact N-O 3.43Å; I85-H130 WeakPolarHBondContact CA-O 3.44Å; I85-H130 HydrophobicContact CB-CB 4.41Å; I85-H130 HydrophobicContact CG1-CB 3.71Å; I85-N132 WeakPolarHBondContact CG2-O 3.42Å; I85-I134 HydrophobicContact CG2-CG2 4.06Å; I85-F137 HydrophobicContact CD1-CD2 3.93Å; I85-F137 HydrophobicContact CD1-CE2 3.84Å; I85-F137 HydrophobicContact CG1-CE2 4.08Å; I85-F141 HydrophobicContact CD1-CE1 3.7Å; I85-F141 HydrophobicContact CD1-CZ 3.97Å; I85-Y142 HydrophobicContact CD1-CE1 4.46Å
86D98.5Very high97.4Very high14 Ų1439.5 Ų39.58%0.07522%0.217CC..  trans-153.2139.4167.3-163-69.1000109.3A63 D88 K110 A111 H130 F131 N132A63-D86 WeakPolarHBondContact CA-OD2 3.49Å; A63-D86 HydrophobicContact CB-CB 3.67Å; A63-D86 PolarHBondContact N-OD2 3.41Å; D86-D88 WeakPolarHBondContact OD1-CA 3.5Å; D86-D88 VanDerWaalsContact OD1-CB 3.29Å; D86-D88 WeakPolarHBondContact OD1-CB 3.37Å; D86-D88 PolarHBondContact OD1-N 3.31Å; D86-K110 HydrophobicContact CB-CB 4.34Å; D86-A111 HydrophobicContact CB-CB 4.07Å; D86-H130 PolarHBondContact N-O 3.4Å; D86-H130 VanDerWaalsContact N-O 3.16Å; D86-F131 WeakPolarHBondContact O-CA 3.26Å; D86-F131 WeakPolarHBondContact O-CD2 3.46Å; D86-N132 CarbonylContact C-O 3.5Å; D86-N132 PolarHBondContact O-N 2.61Å
87M96.6Very high97.3Very high94 Ų9437.1 Ų37.146%0.46320%0.201SC..  trans-99-6.1-177.769.3178.4-179.100113.4F131 N132 K133M87-F131 VanDerWaalsContact O-CE2 3.24Å; M87-F131 WeakPolarHBondContact O-CE2 3.42Å; M87-N132 PolarHBondContact N-O 3.07Å; M87-K133 HydrophobicContact CB-CG 3.82Å; M87-K133 HydrophobicContact CG-CG 4.35Å; M87-K133 HydrophobicContact SD-CB 4.43Å; M87-K133 HydrophobicContact SD-CD 3.9Å; M87-K133 HydrophobicContact SD-CG 3.64Å
88D96.6Very high97.3Very high53 Ų5336 Ų3628%0.28319%0.192SC..PPolyproline II helixtrans-93.9158.5-173.5-63.9-20.1000112D86 K110D86-D88 WeakPolarHBondContact OD1-CA 3.5Å; D86-D88 VanDerWaalsContact OD1-CB 3.29Å; D86-D88 WeakPolarHBondContact OD1-CB 3.37Å; D86-D88 PolarHBondContact OD1-N 3.31Å; D88-K110 HydrophobicContact CB-CD 3.85Å; D88-K110 HydrophobicContact CB-CG 4.38Å; D88-K110 VanDerWaalsContact CB-NZ 3.26Å; D88-K110 PolarHBondContact O-N 2.79Å; D88-K110 IonicContact OD2-NZ 3.2Å; D88-K110 PolarHBondContact OD2-NZ 3.08Å
89T97Very high97.3Very high71 Ų7139.5 Ų39.544%0.43621%0.208SC..BIsolated β-bridgetrans-95.7158.8165.155.50000110.8D91 R108 K110 F131T89-D91 PolarHBondContact O-N 3.15Å; T89-R108 CarbonylContact C-O 3.51Å; T89-R108 VanDerWaalsContact CA-O 3.31Å; T89-R108 WeakPolarHBondContact CA-O 3.24Å; T89-K110 VanDerWaalsContact O-CE 3.25Å; T89-K110 WeakPolarHBondContact O-CE 3.41Å; T89-F131 HydrophobicContact CG2-CZ 4.23Å
90I97.8Very high97.3Very high2 Ų239.4 Ų39.41%0.0121%0.207CC..PPolyproline II helixtrans-72.8124.9179.8-64163.2000109.8L95 F101 D105 I106 G107 R108 K110 V113I90-L95 HydrophobicContact CG2-CD2 4.36Å; I90-F101 HydrophobicContact CD1-CB 4.06Å; I90-F101 HydrophobicContact CD1-CD1 3.5Å; I90-F101 VanDerWaalsContact CD1-CD1 3.5Å; I90-F101 HydrophobicContact CD1-CD2 4.39Å; I90-F101 HydrophobicContact CD1-CE1 4.04Å; I90-F101 HydrophobicContact CD1-CG 3.72Å; I90-F101 HydrophobicContact CG1-CB 4.37Å; I90-F101 HydrophobicContact CG1-CD1 3.98Å; I90-F101 HydrophobicContact CG1-CD2 4.03Å; I90-F101 HydrophobicContact CG1-CE1 4.32Å; I90-F101 HydrophobicContact CG1-CE2 4.35Å; I90-F101 HydrophobicContact CG1-CG 3.85Å; I90-F101 HydrophobicContact CG2-CB 3.94Å; I90-F101 HydrophobicContact CG2-CD2 4.37Å; I90-F101 HydrophobicContact CG2-CG 4.22Å; I90-D105 HydrophobicContact CD1-CB 3.74Å; I90-D105 WeakPolarHBondContact CD1-O 3.48Å; I90-I106 HydrophobicContact CG2-CG1 4.41Å; I90-G107 PolarHBondContact O-N 3.33Å; I90-R108 HydrophobicContact CD1-CB 4.5Å; I90-R108 PolarHBondContact N-O 3.3Å; I90-K110 HydrophobicContact CG1-CB 4.45Å; I90-K110 HydrophobicContact CG1-CG 3.76Å; I90-V113 HydrophobicContact CD1-CB 3.73Å; I90-V113 HydrophobicContact CD1-CG1 3.96Å; I90-V113 HydrophobicContact CD1-CG2 3.59Å
91D94.6Very high97.3Very high50 Ų5038.7 Ų38.727%0.26721%0.205SC..  trans-108.7156173.9-179.8-104.4000111.8T89 S93 N94T89-D91 PolarHBondContact O-N 3.15Å; D91-S93 PolarHBondContact O-N 2.74Å; D91-S93 WeakPolarHBondContact OD1-CB 3.41Å; D91-S93 PolarHBondContact OD1-N 2.88Å; D91-S93 PolarHBondContact OD1-OG 3.47Å; D91-N94 PolarHBondContact N-OD1 2.95Å; D91-N94 WeakPolarHBondContact O-CB 3.38Å; D91-N94 PolarHBondContact O-N 2.91Å
92V95.3Very high97.3Very high96 Ų9642.1 Ų42.158%0.58222%0.216SC*.G310 helixtrans-56.6-35.2178.166.10000112.7N94 L95 I106V92-N94 PolarHBondContact O-N 3.4Å; V92-L95 PolarHBondContact O-N 2.59Å; V92-I106 HydrophobicContact CB-CD1 4.17Å; V92-I106 HydrophobicContact CG2-CD1 4.46Å
93S94.3Very high97.3Very high56 Ų5646.7 Ų46.739%0.39225%0.246SC..G310 helixtrans-69-11.1179.468.90000113.7D91 N96 R97D91-S93 PolarHBondContact O-N 2.74Å; D91-S93 WeakPolarHBondContact OD1-CB 3.41Å; D91-S93 PolarHBondContact OD1-N 2.88Å; D91-S93 PolarHBondContact OD1-OG 3.47Å; S93-N96 PolarHBondContact O-OD1 3.37Å; S93-R97 PolarHBondContact O-NH1 2.94Å
94N95.9Very high97.2Very high11 Ų1153.5 Ų53.56%0.05928%0.275CS..G310 helixtrans-79.7-29.9178.7-60.8167.7000111.9D91 V92 N96 R97 Q98 K110D91-N94 PolarHBondContact N-OD1 2.95Å; D91-N94 WeakPolarHBondContact O-CB 3.38Å; D91-N94 PolarHBondContact O-N 2.91Å; V92-N94 PolarHBondContact O-N 3.4Å; N94-N96 PolarHBondContact O-N 3.24Å; N94-R97 PolarHBondContact O-N 3.01Å; N94-R97 VanDerWaalsContact O-N 3.16Å; N94-Q98 HydrophobicContact CB-CB 4.36Å; N94-Q98 VanDerWaalsContact CB-CD 3.49Å; N94-Q98 HydrophobicContact CB-CG 4.11Å; N94-Q98 WeakPolarHBondContact O-CB 3.48Å; N94-Q98 VanDerWaalsContact O-CG 3.24Å; N94-Q98 WeakPolarHBondContact O-CG 3.32Å; N94-Q98 PolarHBondContact O-N 3.26Å; N94-K110 WeakPolarHBondContact OD1-CE 3.38Å
95L97Very high97.2Very high50 Ų5053.9 Ų53.926%0.26228%0.277SS..THydrogen-bonded Turntrans-66-16.9-167.8-55.8-176.4000114.4I90 V92 R97 F101 P103 I106I90-L95 HydrophobicContact CG2-CD2 4.36Å; V92-L95 PolarHBondContact O-N 2.59Å; L95-R97 PolarHBondContact O-N 3.13Å; L95-F101 HydrophobicContact CD2-CB 3.8Å; L95-P103 HydrophobicContact CD1-CB 4.38Å; L95-P103 HydrophobicContact CD1-CG 3.99Å; L95-I106 HydrophobicContact CD1-CD1 4.29Å
96N96.3Very high97.2Very high102 Ų10257.5 Ų57.555%0.54530%0.295SS..THydrogen-bonded Turntrans-72.9-14177.779.6-40.2000113.9S93 N94 A298S93-N96 PolarHBondContact O-OD1 3.37Å; N94-N96 PolarHBondContact O-N 3.24Å; N96-A298 PolarHBondContact ND2-O 3.29Å
97R96.6Very high97.1Very high55 Ų5559.2 Ų59.221%0.20832%0.316CS..THydrogen-bonded Turntrans-146.1-12.6-174.568.5-168.1176.3-81.46.5115.1S93 N94 L95 A298 A300S93-R97 PolarHBondContact O-NH1 2.94Å; N94-R97 PolarHBondContact O-N 3.01Å; N94-R97 VanDerWaalsContact O-N 3.16Å; L95-R97 PolarHBondContact O-N 3.13Å; R97-A298 VanDerWaalsContact NE-CB 3.31Å; R97-A300 HydrophobicContact CB-CB 4.21Å
98Q97.7Very high97.2Very high7 Ų758 Ų583%0.03331%0.307CS..  trans-106.776.1-175.8-51.4-173.610.500109.4N94 L100 F101N94-Q98 HydrophobicContact CB-CB 4.36Å; N94-Q98 VanDerWaalsContact CB-CD 3.49Å; N94-Q98 HydrophobicContact CB-CG 4.11Å; N94-Q98 WeakPolarHBondContact O-CB 3.48Å; N94-Q98 VanDerWaalsContact O-CG 3.24Å; N94-Q98 WeakPolarHBondContact O-CG 3.32Å; N94-Q98 PolarHBondContact O-N 3.26Å; Q98-L100 PolarHBondContact O-N 2.88Å; Q98-L100 VanDerWaalsContact O-N 3.07Å; Q98-F101 HydrophobicContact CB-CD2 3.49Å; Q98-F101 VanDerWaalsContact CB-CD2 3.49Å; Q98-F101 HydrophobicContact CB-CE2 3.75Å; Q98-F101 HydrophobicContact CG-CD2 4.5Å; Q98-F101 HydrophobicContact CG-CE2 4.49Å; Q98-F101 PolarHBondContact O-N 3.09Å
99F98.3Very high97.3Very high74 Ų7456.5 Ų56.533%0.32530%0.3SS..THydrogen-bonded Turntrans-65.6-12.6-165.166.8-91.9000115.6C68 E69 K72 F101C68-F99 HydrophobicContact CB-CD1 4.32Å; C68-F99 HydrophobicContact CB-CE1 3.92Å; C68-F99 HydrophobicContact CB-CZ 4.37Å; C68-F99 WeakPolarHBondContact O-CZ 3.48Å; E69-F99 HydrophobicContact CG-CE1 4.05Å; K72-F99 HydrophobicContact CB-CE2 4.49Å; K72-F99 HydrophobicContact CB-CZ 3.83Å; K72-F99 HydrophobicContact CD-CE2 4.32Å; K72-F99 HydrophobicContact CD-CZ 3.9Å; K72-F99 HydrophobicContact CG-CZ 4.45Å; F99-F101 PolarHBondContact O-N 3.29Å
100L98.5Very high97.4Very high0 Ų053.8 Ų53.80%028%0.282CS..THydrogen-bonded Turntrans-71.9-18.1174-60.5-177.9000112.2C68 L71 Q98 A114 F117 L118C68-L100 HydrophobicContact CB-CD1 3.92Å; C68-L100 HydrophobicContact CB-CG 3.96Å; L71-L100 HydrophobicContact CD1-CD1 4.05Å; Q98-L100 PolarHBondContact O-N 2.88Å; Q98-L100 VanDerWaalsContact O-N 3.07Å; L100-A114 HydrophobicContact CD1-CB 3.81Å; L100-F117 HydrophobicContact CB-CB 4.48Å; L100-F117 HydrophobicContact CB-CG 4.44Å; L100-F117 HydrophobicContact CD2-CB 4.33Å; L100-F117 HydrophobicContact CD2-CD1 3.37Å; L100-F117 HydrophobicContact CD2-CE1 3.83Å; L100-F117 HydrophobicContact CD2-CG 3.92Å; L100-F117 WeakPolarHBondContact O-CD2 3.34Å; L100-L118 HydrophobicContact CD1-CD1 4.43Å; L100-L118 HydrophobicContact CD2-CD1 3.91Å
101F98.5Very high97.4Very high7 Ų753.7 Ų53.73%0.03128%0.281CS..  trans-104.3139.7-174.7-48.6-37000111.3I90 L95 Q98 F99 K110 V113 A114I90-F101 HydrophobicContact CD1-CB 4.06Å; I90-F101 HydrophobicContact CD1-CD1 3.5Å; I90-F101 VanDerWaalsContact CD1-CD1 3.5Å; I90-F101 HydrophobicContact CD1-CD2 4.39Å; I90-F101 HydrophobicContact CD1-CE1 4.04Å; I90-F101 HydrophobicContact CD1-CG 3.72Å; I90-F101 HydrophobicContact CG1-CB 4.37Å; I90-F101 HydrophobicContact CG1-CD1 3.98Å; I90-F101 HydrophobicContact CG1-CD2 4.03Å; I90-F101 HydrophobicContact CG1-CE1 4.32Å; I90-F101 HydrophobicContact CG1-CE2 4.35Å; I90-F101 HydrophobicContact CG1-CG 3.85Å; I90-F101 HydrophobicContact CG2-CB 3.94Å; I90-F101 HydrophobicContact CG2-CD2 4.37Å; I90-F101 HydrophobicContact CG2-CG 4.22Å; L95-F101 HydrophobicContact CD2-CB 3.8Å; Q98-F101 HydrophobicContact CB-CD2 3.49Å; Q98-F101 VanDerWaalsContact CB-CD2 3.49Å; Q98-F101 HydrophobicContact CB-CE2 3.75Å; Q98-F101 HydrophobicContact CG-CD2 4.5Å; Q98-F101 HydrophobicContact CG-CE2 4.49Å; Q98-F101 PolarHBondContact O-N 3.09Å; F99-F101 PolarHBondContact O-N 3.29Å; F101-K110 HydrophobicContact CE1-CB 4.47Å; F101-K110 WeakPolarHBondContact CE1-O 3.32Å; F101-K110 HydrophobicContact CE2-CB 4.28Å; F101-K110 HydrophobicContact CE2-CD 4.23Å; F101-K110 HydrophobicContact CE2-CG 4.01Å; F101-K110 HydrophobicContact CZ-CB 3.81Å; F101-K110 HydrophobicContact CZ-CG 4.04Å; F101-V113 HydrophobicContact CD1-CB 4.12Å; F101-V113 HydrophobicContact CD1-CG1 3.81Å; F101-V113 HydrophobicContact CE1-CB 4.2Å; F101-V113 HydrophobicContact CE1-CG1 4.32Å; F101-A114 HydrophobicContact CE1-CB 3.99Å; F101-A114 HydrophobicContact CZ-CB 4.32Å
102R98.3Very high97.6Very high116 Ų11655.3 Ų55.344%0.43829%0.288SS..  trans-115.9163.6176.4-52.5-58.6177.695.6-3.4110.3K104 D105R102-K104 HydrophobicContact CB-CG 3.95Å; R102-K104 PolarHBondContact O-N 2.94Å; R102-K104 VanDerWaalsContact O-N 3.07Å; R102-D105 WeakPolarHBondContact CA-OD2 3.49Å; R102-D105 WeakPolarHBondContact CB-OD2 3.29Å; R102-D105 PolarHBondContact N-OD2 3.11Å; R102-D105 WeakPolarHBondContact O-CB 3.5Å; R102-D105 PolarHBondContact O-N 2.77Å
103P98.3Very high97.8Very high97 Ų9751 Ų5163%0.6326%0.261SS*.G310 helixtrans-54.1-30.6176.9-28.335.3000114.5L95 D105 I106L95-P103 HydrophobicContact CD1-CB 4.38Å; L95-P103 HydrophobicContact CD1-CG 3.99Å; P103-D105 PolarHBondContact O-N 3.06Å; P103-I106 WeakPolarHBondContact O-CD1 3.44Å; P103-I106 WeakPolarHBondContact O-CG1 3.17Å
104K98.4Very high98Very high166 Ų16648.3 Ų48.372%0.72224%0.242SC*.G310 helixtrans-69.7-15.1176.360.9163.7-169.7167.10114.3R102R102-K104 HydrophobicContact CB-CG 3.95Å; R102-K104 PolarHBondContact O-N 2.94Å; R102-K104 VanDerWaalsContact O-N 3.07Å
105D98.4Very high98.1Very high8 Ų847.9 Ų47.94%0.04324%0.241CC..G310 helixtrans-97.5-3-174.7-52.3-49.7000112.4I90 R102 P103 G107 R108 V113I90-D105 HydrophobicContact CD1-CB 3.74Å; I90-D105 WeakPolarHBondContact CD1-O 3.48Å; R102-D105 WeakPolarHBondContact CA-OD2 3.49Å; R102-D105 WeakPolarHBondContact CB-OD2 3.29Å; R102-D105 PolarHBondContact N-OD2 3.11Å; R102-D105 WeakPolarHBondContact O-CB 3.5Å; R102-D105 PolarHBondContact O-N 2.77Å; P103-D105 PolarHBondContact O-N 3.06Å; D105-G107 PolarHBondContact O-N 3.1Å; D105-R108 VanDerWaalsContact O-CB 3.3Å; D105-R108 WeakPolarHBondContact O-CB 3.44Å; D105-R108 PolarHBondContact O-N 3.22Å; D105-R108 IonicContact OD1-NH1 2.7Å; D105-V113 HydrophobicContact CB-CG1 3.98Å; D105-V113 HydrophobicContact CB-CG2 4.29Å
106I97.9Very high98.2Very high78 Ų7850.3 Ų50.340%0.425%0.251SS..THydrogen-bonded Turntrans-54.7133.2178.9-66.3171.7000110.3I90 V92 L95 P103 R108I90-I106 HydrophobicContact CG2-CG1 4.41Å; V92-I106 HydrophobicContact CB-CD1 4.17Å; V92-I106 HydrophobicContact CG2-CD1 4.46Å; L95-I106 HydrophobicContact CD1-CD1 4.29Å; P103-I106 WeakPolarHBondContact O-CD1 3.44Å; P103-I106 WeakPolarHBondContact O-CG1 3.17Å; I106-R108 VanDerWaalsContact C-N 3.32Å
107G97.1Very high98.3Very high50 Ų5047.2 Ų47.252%0.51523%0.233SC..THydrogen-bonded Turntrans87-13.7-176.800000115I90 D105I90-G107 PolarHBondContact O-N 3.33Å; D105-G107 PolarHBondContact O-N 3.1Å
108R98.5Very high98.4Very high69 Ų6944.8 Ų44.826%0.2622%0.224SC..SBendtrans-79.1155.8174.2-62.7-179.466.2-160.9-0.7111.5T89 I90 D105 I106 K110 E112 V113 E116T89-R108 CarbonylContact C-O 3.51Å; T89-R108 VanDerWaalsContact CA-O 3.31Å; T89-R108 WeakPolarHBondContact CA-O 3.24Å; I90-R108 HydrophobicContact CD1-CB 4.5Å; I90-R108 PolarHBondContact N-O 3.3Å; D105-R108 VanDerWaalsContact O-CB 3.3Å; D105-R108 WeakPolarHBondContact O-CB 3.44Å; D105-R108 PolarHBondContact O-N 3.22Å; D105-R108 IonicContact OD1-NH1 2.7Å; I106-R108 VanDerWaalsContact C-N 3.32Å; R108-K110 PolarHBondContact O-N 3.21Å; R108-E112 IonicContact CZ-OE1 2.81Å; R108-E112 IonicContact NE-OE1 2.87Å; R108-E112 IonicContact NH2-OE1 3.98Å; R108-E112 PolarHBondContact NH2-OE1 3.34Å; R108-V113 HydrophobicContact CB-CG2 3.66Å; R108-V113 HydrophobicContact CG-CG2 4.47Å; R108-E116 IonicContact CZ-OE2 3.04Å; R108-E116 IonicContact NH1-OE2 2.95Å; R108-E116 PolarHBondContact NH1-OE2 3.45Å; R108-E116 IonicContact NH2-OE2 3.1Å; R108-E116 PolarHBondContact NH2-OE2 2.71Å
109P98.5Very high98.4Very high22 Ų2247.2 Ų47.214%0.14324%0.237CC..BIsolated β-bridgetrans-58.8131.2173.1-26.336.8000112.9A111 E112 V113 F131P109-A111 PolarHBondContact O-N 3.09Å; P109-E112 HydrophobicContact CB-CB 4.06Å; P109-E112 PolarHBondContact O-N 3.38Å; P109-V113 PolarHBondContact O-N 2.74Å; P109-F131 HydrophobicContact CB-CB 4.18Å; P109-F131 HydrophobicContact CB-CD1 4.09Å; P109-F131 HydrophobicContact CB-CD2 3.64Å; P109-F131 HydrophobicContact CB-CE1 4.39Å; P109-F131 HydrophobicContact CB-CE2 3.95Å; P109-F131 HydrophobicContact CB-CG 3.71Å; P109-F131 HydrophobicContact CB-CZ 4.33Å; P109-F131 HydrophobicContact CG-CD1 3.8Å; P109-F131 HydrophobicContact CG-CD2 4.21Å; P109-F131 HydrophobicContact CG-CE1 3.91Å; P109-F131 HydrophobicContact CG-CE2 4.29Å; P109-F131 HydrophobicContact CG-CG 3.97Å; P109-F131 HydrophobicContact CG-CZ 4.16Å
110K98.7Very high98.4Very high13 Ų1349.5 Ų49.56%0.05725%0.252CS..Hα-helixtrans-59.8-44.9-179.8-70.5-176.7-169.2157.70112.4A63 D86 D88 T89 I90 N94 F101 R108 E112 A114A63-K110 HydrophobicContact CB-CB 4Å; D86-K110 HydrophobicContact CB-CB 4.34Å; D88-K110 HydrophobicContact CB-CD 3.85Å; D88-K110 HydrophobicContact CB-CG 4.38Å; D88-K110 VanDerWaalsContact CB-NZ 3.26Å; D88-K110 PolarHBondContact O-N 2.79Å; D88-K110 IonicContact OD2-NZ 3.2Å; D88-K110 PolarHBondContact OD2-NZ 3.08Å; T89-K110 VanDerWaalsContact O-CE 3.25Å; T89-K110 WeakPolarHBondContact O-CE 3.41Å; I90-K110 HydrophobicContact CG1-CB 4.45Å; I90-K110 HydrophobicContact CG1-CG 3.76Å; N94-K110 WeakPolarHBondContact OD1-CE 3.38Å; F101-K110 HydrophobicContact CE1-CB 4.47Å; F101-K110 WeakPolarHBondContact CE1-O 3.32Å; F101-K110 HydrophobicContact CE2-CB 4.28Å; F101-K110 HydrophobicContact CE2-CD 4.23Å; F101-K110 HydrophobicContact CE2-CG 4.01Å; F101-K110 HydrophobicContact CZ-CB 3.81Å; F101-K110 HydrophobicContact CZ-CG 4.04Å; R108-K110 PolarHBondContact O-N 3.21Å; K110-E112 PolarHBondContact O-N 3.09Å; K110-A114 WeakPolarHBondContact O-CB 3.4Å; K110-A114 PolarHBondContact O-N 2.9Å
111A98.6Very high98.4Very high0 Ų056.8 Ų56.80%028%0.28CS..Hα-helixtrans-58.5-45.8-178.900000112V84 D86 P109 A114 A115 P129V84-A111 HydrophobicContact CG1-CB 4.25Å; D86-A111 HydrophobicContact CB-CB 4.07Å; P109-A111 PolarHBondContact O-N 3.09Å; A111-A114 PolarHBondContact O-N 2.82Å; A111-A115 WeakPolarHBondContact O-CB 3.49Å; A111-A115 PolarHBondContact O-N 2.8Å; A111-P129 HydrophobicContact CB-CB 4.11Å; A111-P129 WeakPolarHBondContact O-CB 3.41Å
112E98.8Very high98.4Very high85 Ų8557 Ų5740%0.39728%0.281SS..Hα-helixtrans-62.8-52.4-179-172.9-168.3131.300111.7R108 P109 K110 A114 A115 E116R108-E112 IonicContact CZ-OE1 2.81Å; R108-E112 IonicContact NE-OE1 2.87Å; R108-E112 IonicContact NH2-OE1 3.98Å; R108-E112 PolarHBondContact NH2-OE1 3.34Å; P109-E112 HydrophobicContact CB-CB 4.06Å; P109-E112 PolarHBondContact O-N 3.38Å; K110-E112 PolarHBondContact O-N 3.09Å; E112-A114 VanDerWaalsContact C-N 3.31Å; E112-A114 PolarHBondContact O-N 3.42Å; E112-A115 PolarHBondContact O-N 3.29Å; E112-E116 WeakPolarHBondContact O-CB 3.46Å; E112-E116 PolarHBondContact O-N 3.31Å
113V98.7Very high98.3Very high4 Ų454 Ų542%0.02428%0.278CS..Hα-helixtrans-66-36.5-179.2-178.50000111.2I90 F101 D105 R108 P109 E116 F117I90-V113 HydrophobicContact CD1-CB 3.73Å; I90-V113 HydrophobicContact CD1-CG1 3.96Å; I90-V113 HydrophobicContact CD1-CG2 3.59Å; F101-V113 HydrophobicContact CD1-CB 4.12Å; F101-V113 HydrophobicContact CD1-CG1 3.81Å; F101-V113 HydrophobicContact CE1-CB 4.2Å; F101-V113 HydrophobicContact CE1-CG1 4.32Å; D105-V113 HydrophobicContact CB-CG1 3.98Å; D105-V113 HydrophobicContact CB-CG2 4.29Å; R108-V113 HydrophobicContact CB-CG2 3.66Å; R108-V113 HydrophobicContact CG-CG2 4.47Å; P109-V113 PolarHBondContact O-N 2.74Å; V113-E116 PolarHBondContact O-N 3.1Å; V113-F117 WeakPolarHBondContact O-CB 3.49Å; V113-F117 PolarHBondContact O-N 3.26Å
114A98.7Very high98.2Very high0 Ų052.8 Ų52.80%027%0.266CS..Hα-helixtrans-61.9-45.6175.900000111.4A63 L71 L100 F101 K110 A111 E112 L118A63-A114 HydrophobicContact CB-CB 4.4Å; L71-A114 HydrophobicContact CD1-CB 3.81Å; L100-A114 HydrophobicContact CD1-CB 3.81Å; F101-A114 HydrophobicContact CE1-CB 3.99Å; F101-A114 HydrophobicContact CZ-CB 4.32Å; K110-A114 WeakPolarHBondContact O-CB 3.4Å; K110-A114 PolarHBondContact O-N 2.9Å; A111-A114 PolarHBondContact O-N 2.82Å; E112-A114 VanDerWaalsContact C-N 3.31Å; E112-A114 PolarHBondContact O-N 3.42Å; A114-L118 WeakPolarHBondContact O-CB 3.32Å; A114-L118 PolarHBondContact O-N 2.95Å; A114-L118 VanDerWaalsContact O-N 3.11Å
115A98.8Very high98.1Very high3 Ų345.5 Ų45.53%0.02524%0.235CC..Hα-helixtrans-65.2-46.6176.700000112.2A111 E112 F117 L118 N119 V127 P129A111-A115 WeakPolarHBondContact O-CB 3.49Å; A111-A115 PolarHBondContact O-N 2.8Å; E112-A115 PolarHBondContact O-N 3.29Å; A115-F117 PolarHBondContact O-N 2.98Å; A115-L118 PolarHBondContact O-N 2.79Å; A115-N119 WeakPolarHBondContact O-CB 3Å; A115-N119 VanDerWaalsContact O-CG 3.25Å; A115-N119 PolarHBondContact O-N 3.21Å; A115-N119 PolarHBondContact O-ND2 2.91Å; A115-V127 HydrophobicContact CB-CB 3.97Å; A115-V127 HydrophobicContact CB-CG1 3.68Å; A115-P129 HydrophobicContact CB-CB 3.83Å; A115-P129 HydrophobicContact CB-CG 3.89Å
116E98.6Very high98.1Very high100 Ų10048.5 Ų48.547%0.46725%0.252SS..Hα-helixtrans-53.6-52.7176.1-176.5-170.4157.800111R108 E112 V113 L118 D120R108-E116 IonicContact CZ-OE2 3.04Å; R108-E116 IonicContact NH1-OE2 2.95Å; R108-E116 PolarHBondContact NH1-OE2 3.45Å; R108-E116 IonicContact NH2-OE2 3.1Å; R108-E116 PolarHBondContact NH2-OE2 2.71Å; E112-E116 WeakPolarHBondContact O-CB 3.46Å; E112-E116 PolarHBondContact O-N 3.31Å; V113-E116 PolarHBondContact O-N 3.1Å; E116-L118 VanDerWaalsContact C-N 3.34Å; E116-L118 PolarHBondContact O-N 3.09Å; E116-D120 WeakPolarHBondContact O-CB 3.21Å; E116-D120 PolarHBondContact O-N 3.14Å; E116-D120 VanDerWaalsContact O-N 3.16Å
117F98.7Very high98.2Very high38 Ų3845 Ų4517%0.16723%0.233CC..Hα-helixtrans-61.1-43.3-178.7-170.4-73.4000111.8L100 V113 A115 R121L100-F117 HydrophobicContact CB-CB 4.48Å; L100-F117 HydrophobicContact CB-CG 4.44Å; L100-F117 HydrophobicContact CD2-CB 4.33Å; L100-F117 HydrophobicContact CD2-CD1 3.37Å; L100-F117 HydrophobicContact CD2-CE1 3.83Å; L100-F117 HydrophobicContact CD2-CG 3.92Å; L100-F117 WeakPolarHBondContact O-CD2 3.34Å; V113-F117 WeakPolarHBondContact O-CB 3.49Å; V113-F117 PolarHBondContact O-N 3.26Å; A115-F117 PolarHBondContact O-N 2.98Å; F117-R121 HydrophobicContact CD1-CB 4.14Å; F117-R121 HydrophobicContact CE1-CB 4Å; F117-R121 HydrophobicContact CE1-CG 4.17Å; F117-R121 WeakPolarHBondContact O-CB 3.32Å; F117-R121 PolarHBondContact O-N 2.72Å
118L98.4Very high98.3Very high4 Ų444.7 Ų44.72%0.02122%0.222CC..Hα-helixtrans-74.5-40.5-173.4-141.677.4000112.4L71 A75 L100 A114 A115 E116 D120 R121 V122 V127L71-L118 HydrophobicContact CB-CD1 4.39Å; L71-L118 HydrophobicContact CB-CD2 3.72Å; L71-L118 HydrophobicContact CD2-CD2 4.29Å; L71-L118 WeakPolarHBondContact O-CD2 3.34Å; A75-L118 HydrophobicContact CB-CD2 3.81Å; A75-L118 HydrophobicContact CB-CG 4.36Å; L100-L118 HydrophobicContact CD1-CD1 4.43Å; L100-L118 HydrophobicContact CD2-CD1 3.91Å; A114-L118 WeakPolarHBondContact O-CB 3.32Å; A114-L118 PolarHBondContact O-N 2.95Å; A114-L118 VanDerWaalsContact O-N 3.11Å; A115-L118 PolarHBondContact O-N 2.79Å; E116-L118 VanDerWaalsContact C-N 3.34Å; E116-L118 PolarHBondContact O-N 3.09Å; L118-D120 VanDerWaalsContact C-N 3.26Å; L118-D120 PolarHBondContact O-N 3.24Å; L118-R121 PolarHBondContact O-N 3.35Å; L118-V122 PolarHBondContact O-N 3.44Å; L118-V127 HydrophobicContact CB-CG2 4.04Å; L118-V127 HydrophobicContact CD2-CG2 3.59Å; L118-V127 HydrophobicContact CG-CG2 4.41Å
119N98.5Very high98.3Very high57 Ų5744 Ų4431%0.30523%0.226SC..Hα-helixtrans-65.2-30.7176.2-68.5-21000111.7A115 C125 V127A115-N119 WeakPolarHBondContact O-CB 3Å; A115-N119 VanDerWaalsContact O-CG 3.25Å; A115-N119 PolarHBondContact O-N 3.21Å; A115-N119 PolarHBondContact O-ND2 2.91Å; N119-C125 VanDerWaalsContact OD1-C 3.31Å; N119-C125 PolarHBondContact OD1-O 2.89Å; N119-V127 PolarHBondContact ND2-O 3.18Å; N119-V127 WeakPolarHBondContact OD1-CB 3.36Å; N119-V127 PolarHBondContact OD1-N 3.49Å
120D98.4Very high98.3Very high122 Ų12244.4 Ų44.465%0.65223%0.226SC*.Hα-helixtrans-73.1-48.9170.2176.574.7000112E116 L118E116-D120 WeakPolarHBondContact O-CB 3.21Å; E116-D120 PolarHBondContact O-N 3.14Å; E116-D120 VanDerWaalsContact O-N 3.16Å; L118-D120 VanDerWaalsContact C-N 3.26Å; L118-D120 PolarHBondContact O-N 3.24Å
121R98.3Very high98.3Very high153 Ų15348.8 Ų48.858%0.57725%0.245SC*.Hα-helixtrans-71.6-34.8-172.4-176.158.258.5-163.5-7.9113.3F117 L118F117-R121 HydrophobicContact CD1-CB 4.14Å; F117-R121 HydrophobicContact CE1-CB 4Å; F117-R121 HydrophobicContact CE1-CG 4.17Å; F117-R121 WeakPolarHBondContact O-CB 3.32Å; F117-R121 PolarHBondContact O-N 2.72Å; L118-R121 PolarHBondContact O-N 3.35Å
122V97.7Very high98.3Very high11 Ų1151.5 Ų51.57%0.06726%0.26CS..SBendtrans-117.2102.7-175.4-174.80000108.9A75 L76 L118 N124 C125A75-V122 HydrophobicContact CB-CB 4.37Å; A75-V122 HydrophobicContact CB-CG1 4.17Å; A75-V122 HydrophobicContact CB-CG2 4.17Å; L76-V122 HydrophobicContact CD2-CG1 4.48Å; L76-V122 HydrophobicContact CD2-CG2 4.29Å; L118-V122 PolarHBondContact O-N 3.44Å; V122-N124 PolarHBondContact O-N 3.19Å; V122-C125 HydrophobicContact CB-CB 4.07Å; V122-C125 HydrophobicContact CG1-CB 4.22Å; V122-C125 WeakPolarHBondContact O-CB 3.42Å; V122-C125 PolarHBondContact O-N 3.48Å; V122-C125 VanDerWaalsContact O-N 3.08Å
123P96.6Very high98.2Very high55 Ų5552.7 Ų52.736%0.35726%0.264SS..THydrogen-bonded Turntrans-55.7139.4-175.4-30.237.9000113.2W20 R23 C125W20-P123 HydrophobicContact CH2-CG 4.36Å; W20-P123 HydrophobicContact CZ3-CB 4.26Å; W20-P123 HydrophobicContact CZ3-CG 3.94Å; R23-P123 VanDerWaalsContact CZ-O 3.31Å; R23-P123 PolarHBondContact NH1-O 2.78Å; R23-P123 PolarHBondContact NH2-O 3.33Å; P123-C125 PolarHBondContact O-N 3.36Å; P123-C125 VanDerWaalsContact O-N 3.15Å
124N96.4Very high98.2Very high71 Ų7152.9 Ų52.938%0.3827%0.265SS..THydrogen-bonded Turntrans61.810.7-177.7-45.1-33.5000115T17 G18 R80 V122T17-N124 PolarHBondContact O-ND2 3.01Å; G18-N124 VanDerWaalsContact C-ND2 3.34Å; G18-N124 WeakPolarHBondContact CA-ND2 3.25Å; G18-N124 PolarHBondContact O-ND2 2.71Å; G18-N124 VanDerWaalsContact O-ND2 3.16Å; R80-N124 WeakPolarHBondContact CD-O 3.48Å; R80-N124 VanDerWaalsContact CG-O 3.3Å; R80-N124 WeakPolarHBondContact CG-O 3.23Å; R80-N124 PolarHBondContact NE-O 2.88Å; V122-N124 PolarHBondContact O-N 3.19Å
125C96.8Very high98Very high13 Ų1356.8 Ų56.89%0.08828%0.283CS..  trans-67141.3164.4-156.50000108.5N119 V122 P123N119-C125 VanDerWaalsContact OD1-C 3.31Å; N119-C125 PolarHBondContact OD1-O 2.89Å; V122-C125 HydrophobicContact CB-CB 4.07Å; V122-C125 HydrophobicContact CG1-CB 4.22Å; V122-C125 WeakPolarHBondContact O-CB 3.42Å; V122-C125 PolarHBondContact O-N 3.48Å; V122-C125 VanDerWaalsContact O-N 3.08Å; P123-C125 PolarHBondContact O-N 3.36Å; P123-C125 VanDerWaalsContact O-N 3.15Å
126N98.3Very high98Very high71 Ų7161.2 Ų61.238%0.3831%0.306SS..EExtended strand (participates in β ladder)trans-124.467.9179.5-177.533.8000109.1R80 Q81 I82 V128R80-N126 CarbonylContact O-C 3.5Å; R80-N126 VanDerWaalsContact O-C 3.24Å; R80-N126 WeakPolarHBondContact O-CA 3.34Å; R80-N126 WeakPolarHBondContact O-CB 3.32Å; R80-N126 PolarHBondContact O-N 3.35Å; Q81-N126 PolarHBondContact OE1-ND2 3.5Å; I82-N126 PolarHBondContact N-O 3.13Å; I82-N126 VanDerWaalsContact O-O 3.11Å; N126-V128 PolarHBondContact O-N 2.9Å
127V98.8Very high97.9Very high3 Ų358.4 Ų58.42%0.01829%0.292CS..EExtended strand (participates in β ladder)trans-78.1119.2174.3-171.40000109.5L71 I82 V84 A115 L118 N119L71-V127 HydrophobicContact CD2-CG1 4.07Å; I82-V127 HydrophobicContact CB-CG2 4.3Å; I82-V127 CarbonylContact O-C 3.48Å; I82-V127 VanDerWaalsContact O-CA 3.23Å; I82-V127 WeakPolarHBondContact O-CA 3.25Å; V84-V127 HydrophobicContact CB-CG1 4.47Å; V84-V127 HydrophobicContact CG1-CG1 3.82Å; A115-V127 HydrophobicContact CB-CB 3.97Å; A115-V127 HydrophobicContact CB-CG1 3.68Å; L118-V127 HydrophobicContact CB-CG2 4.04Å; L118-V127 HydrophobicContact CD2-CG2 3.59Å; L118-V127 HydrophobicContact CG-CG2 4.41Å; N119-V127 PolarHBondContact ND2-O 3.18Å; N119-V127 WeakPolarHBondContact OD1-CB 3.36Å; N119-V127 PolarHBondContact OD1-N 3.49Å
128V98.8Very high97.7Very high45 Ų4560.9 Ų60.927%0.27331%0.307SS..EExtended strand (participates in β ladder)trans-101.8114.9176.4-176.50000109.8I82 H83 V84 N126 H130I82-V128 PolarHBondContact O-N 2.85Å; H83-V128 WeakPolarHBondContact CA-O 3.27Å; V84-V128 PolarHBondContact N-O 2.85Å; N126-V128 PolarHBondContact O-N 2.9Å; V128-H130 PolarHBondContact O-CD2 2.56Å
129P98.8Very high97.6Very high54 Ų5463.8 Ų63.835%0.35132%0.323SS..EExtended strand (participates in β ladder)trans-82.5146.2-179.633.4-34.4000112.6V84 A111 A115V84-P129 HydrophobicContact CG1-CB 4.33Å; V84-P129 CarbonylContact O-C 3.52Å; A111-P129 HydrophobicContact CB-CB 4.11Å; A111-P129 WeakPolarHBondContact O-CB 3.41Å; A115-P129 HydrophobicContact CB-CB 3.83Å; A115-P129 HydrophobicContact CB-CG 3.89Å
130H98.8Very high97.5Very high31 Ų3165.9 Ų65.914%0.14434%0.338CS..EExtended strand (participates in β ladder)trans-130.7103173.2-62.2-85.5000108.5H83 V84 I85 D86 V128 N132 F137H83-H130 AromaticContact CE1-NE2 3.86Å; H83-H130 AromaticContact CG-NE2 3.76Å; H83-H130 AromaticContact ND1-CD2 3.94Å; H83-H130 AromaticContact ND1-CE1 3.84Å; H83-H130 AromaticContact ND1-NE2 3Å; H83-H130 PolarHBondContact ND1-NE2 3.05Å; V84-H130 WeakPolarHBondContact O-CB 3.47Å; V84-H130 PolarHBondContact O-N 3.03Å; I85-H130 WeakPolarHBondContact CA-O 3.44Å; I85-H130 HydrophobicContact CB-CB 4.41Å; I85-H130 HydrophobicContact CG1-CB 3.71Å; D86-H130 PolarHBondContact N-O 3.4Å; D86-H130 VanDerWaalsContact N-O 3.16Å; V128-H130 PolarHBondContact O-CD2 2.56Å; H130-N132 PolarHBondContact O-N 3.19Å; H130-F137 HydrophobicContact CB-CE2 4.32Å; H130-F137 HydrophobicContact CB-CZ 4.05Å; H130-F137 AromaticContact ND1-CZ 3.72Å
131F98.5Very high97.5Very high104 Ų10461.3 Ų61.346%0.45631%0.312SS..  trans-82.372.8175.6-178.6-136.9000110.1D86 M87 T89 P109D86-F131 WeakPolarHBondContact O-CA 3.26Å; D86-F131 WeakPolarHBondContact O-CD2 3.46Å; M87-F131 VanDerWaalsContact O-CE2 3.24Å; M87-F131 WeakPolarHBondContact O-CE2 3.42Å; T89-F131 HydrophobicContact CG2-CZ 4.23Å; P109-F131 HydrophobicContact CB-CB 4.18Å; P109-F131 HydrophobicContact CB-CD1 4.09Å; P109-F131 HydrophobicContact CB-CD2 3.64Å; P109-F131 HydrophobicContact CB-CE1 4.39Å; P109-F131 HydrophobicContact CB-CE2 3.95Å; P109-F131 HydrophobicContact CB-CG 3.71Å; P109-F131 HydrophobicContact CB-CZ 4.33Å; P109-F131 HydrophobicContact CG-CD1 3.8Å; P109-F131 HydrophobicContact CG-CD2 4.21Å; P109-F131 HydrophobicContact CG-CE1 3.91Å; P109-F131 HydrophobicContact CG-CE2 4.29Å; P109-F131 HydrophobicContact CG-CG 3.97Å; P109-F131 HydrophobicContact CG-CZ 4.16Å
132N98.4Very high97.5Very high58 Ų5854 Ų5431%0.3129%0.285SS..SBendtrans-147.3161.9-168.5-72.4101.7000110.7I85 D86 M87 H130 D136 F137I85-N132 WeakPolarHBondContact CG2-O 3.42Å; D86-N132 CarbonylContact C-O 3.5Å; D86-N132 PolarHBondContact O-N 2.61Å; M87-N132 PolarHBondContact N-O 3.07Å; H130-N132 PolarHBondContact O-N 3.19Å; N132-D136 HydrophobicContact CB-CB 4.32Å; N132-D136 PolarHBondContact ND2-OD2 2.99Å; N132-F137 HydrophobicContact CB-CE2 3.53Å; N132-F137 HydrophobicContact CB-CZ 3.88Å
133K97.3Very high97.5Very high110 Ų11058.6 Ų58.648%0.47830%0.301SS..  trans-81.3152.2164.1-52.9-171.2176.6171.50108.8M87 Q135 D136M87-K133 HydrophobicContact CB-CG 3.82Å; M87-K133 HydrophobicContact CG-CG 4.35Å; M87-K133 HydrophobicContact SD-CB 4.43Å; M87-K133 HydrophobicContact SD-CD 3.9Å; M87-K133 HydrophobicContact SD-CG 3.64Å; K133-Q135 PolarHBondContact O-N 2.94Å; K133-Q135 VanDerWaalsContact O-N 3.17Å; K133-D136 PolarHBondContact N-OD2 3.4Å; K133-D136 WeakPolarHBondContact O-CB 3.47Å; K133-D136 PolarHBondContact O-N 2.89Å
134I97.9Very high97.6Very high8 Ų859.4 Ų59.44%0.04130%0.3CS..G310 helixtrans-58.7-30.7174.160.3178.8000111.9I61 I85 D136 F137 Y142 A157 W160 I161I61-I134 HydrophobicContact CD1-CG2 4.25Å; I61-I134 HydrophobicContact CG2-CG2 3.38Å; I85-I134 HydrophobicContact CG2-CG2 4.06Å; I134-D136 PolarHBondContact O-N 3.21Å; I134-F137 PolarHBondContact O-N 3.25Å; I134-Y142 VanDerWaalsContact C-OH 3.3Å; I134-Y142 VanDerWaalsContact CA-OH 3.3Å; I134-Y142 WeakPolarHBondContact CA-OH 3.48Å; I134-Y142 WeakPolarHBondContact CB-OH 3.29Å; I134-Y142 PolarHBondContact O-OH 3.42Å; I134-A157 HydrophobicContact CD1-CB 3.83Å; I134-A157 WeakPolarHBondContact CD1-O 3.45Å; I134-W160 HydrophobicContact CB-CE3 4.23Å; I134-W160 HydrophobicContact CB-CZ3 4.11Å; I134-W160 HydrophobicContact CD1-CB 4.46Å; I134-W160 HydrophobicContact CD1-CD2 4.43Å; I134-W160 HydrophobicContact CD1-CE3 3.77Å; I134-W160 HydrophobicContact CD1-CZ3 4.48Å; I134-W160 HydrophobicContact CG1-CD2 4.46Å; I134-W160 HydrophobicContact CG1-CE3 3.81Å; I134-W160 HydrophobicContact CG1-CZ3 4.17Å; I134-W160 WeakPolarHBondContact O-CH2 3.26Å; I134-W160 VanDerWaalsContact O-CZ3 3.31Å; I134-W160 WeakPolarHBondContact O-CZ3 3.44Å; I134-I161 HydrophobicContact CD1-CB 4.39Å
135Q95.9Very high97.7Very high82 Ų8256.2 Ų56.238%0.38328%0.283SS..G310 helixtrans-71-13.2178.9-6281.83.300113.8K133 F137 W160K133-Q135 PolarHBondContact O-N 2.94Å; K133-Q135 VanDerWaalsContact O-N 3.17Å; Q135-F137 PolarHBondContact O-N 3.12Å; Q135-W160 HydrophobicContact CB-CZ2 4.26Å; Q135-W160 HydrophobicContact CG-CD2 3.95Å; Q135-W160 HydrophobicContact CG-CG 4.14Å; Q135-W160 HydrophobicContact CG-CZ2 4.17Å
136D97.3Very high97.8Very high96 Ų9660.1 Ų60.151%0.51330%0.299SS..G310 helixtrans-75.8-14.7178.6-58.9-19.2000111.8N132 K133 I134N132-D136 HydrophobicContact CB-CB 4.32Å; N132-D136 PolarHBondContact ND2-OD2 2.99Å; K133-D136 PolarHBondContact N-OD2 3.4Å; K133-D136 WeakPolarHBondContact O-CB 3.47Å; K133-D136 PolarHBondContact O-N 2.89Å; I134-D136 PolarHBondContact O-N 3.21Å
137F97.9Very high97.8Very high40 Ų4056.9 Ų56.918%0.17528%0.282CS..  trans-107.4152.2179.7-60-76.3000111.6I85 H130 N132 I134 Q135 F141 Y142I85-F137 HydrophobicContact CD1-CD2 3.93Å; I85-F137 HydrophobicContact CD1-CE2 3.84Å; I85-F137 HydrophobicContact CG1-CE2 4.08Å; H130-F137 HydrophobicContact CB-CE2 4.32Å; H130-F137 HydrophobicContact CB-CZ 4.05Å; H130-F137 AromaticContact ND1-CZ 3.72Å; N132-F137 HydrophobicContact CB-CE2 3.53Å; N132-F137 HydrophobicContact CB-CZ 3.88Å; I134-F137 PolarHBondContact O-N 3.25Å; Q135-F137 PolarHBondContact O-N 3.12Å; F137-F141 HydrophobicContact CB-CB 3.9Å; F137-F141 HydrophobicContact CB-CD1 3.59Å; F137-F141 HydrophobicContact CB-CE1 4.29Å; F137-F141 HydrophobicContact CB-CG 3.8Å; F137-F141 HydrophobicContact CD1-CB 4.01Å; F137-F141 AromaticContact CD1-CD1 3.86Å; F137-F141 HydrophobicContact CD1-CD1 3.86Å; F137-F141 AromaticContact CD1-CD2 3.49Å; F137-F141 HydrophobicContact CD1-CD2 3.49Å; F137-F141 VanDerWaalsContact CD1-CD2 3.49Å; F137-F141 HydrophobicContact CD1-CE1 4.2Å; F137-F141 AromaticContact CD1-CE2 3.85Å; F137-F141 HydrophobicContact CD1-CE2 3.85Å; F137-F141 AromaticContact CD1-CG 3.5Å; F137-F141 HydrophobicContact CD1-CG 3.5Å; F137-F141 VanDerWaalsContact CD1-CG 3.5Å; F137-F141 HydrophobicContact CD1-CZ 4.19Å; F137-F141 HydrophobicContact CD2-CD1 4.27Å; F137-F141 HydrophobicContact CD2-CE1 4.14Å; F137-F141 HydrophobicContact CD2-CZ 4.44Å; F137-F141 AromaticContact CE1-CD2 3.8Å; F137-F141 HydrophobicContact CE1-CD2 3.8Å; F137-F141 AromaticContact CE1-CE2 3.75Å; F137-F141 HydrophobicContact CE1-CE2 3.75Å; F137-F141 HydrophobicContact CE1-CG 4.26Å; F137-F141 HydrophobicContact CE1-CZ 4.17Å; F137-F141 HydrophobicContact CE2-CZ 4.41Å; F137-F141 HydrophobicContact CG-CB 4.3Å; F137-F141 AromaticContact CG-CD1 3.65Å; F137-F141 HydrophobicContact CG-CD1 3.65Å; F137-F141 HydrophobicContact CG-CD2 4.16Å; F137-F141 AromaticContact CG-CE1 3.95Å; F137-F141 HydrophobicContact CG-CE1 3.95Å; F137-F141 HydrophobicContact CG-CE2 4.42Å; F137-F141 AromaticContact CG-CG 3.77Å; F137-F141 HydrophobicContact CG-CG 3.77Å; F137-F141 HydrophobicContact CG-CZ 4.32Å; F137-F141 HydrophobicContact CZ-CE2 4.24Å; F137-F141 HydrophobicContact CZ-CZ 4.28Å; F137-Y142 HydrophobicContact CB-CD2 4.47Å; F137-Y142 HydrophobicContact CB-CE2 3.67Å
138N95.2Very high97.8Very high91 Ų9156.8 Ų56.849%0.48728%0.281SS..  trans-110.6-177.1176.765.319.4000111.7T140 F141 Y142N138-T140 PolarHBondContact O-N 2.95Å; N138-T140 WeakPolarHBondContact OD1-CB 3.32Å; N138-T140 PolarHBondContact OD1-N 2.71Å; N138-T140 VanDerWaalsContact OD1-N 3.16Å; N138-F141 WeakPolarHBondContact O-CB 3.21Å; N138-F141 PolarHBondContact O-N 3.43Å; N138-F141 VanDerWaalsContact O-N 3.07Å; N138-Y142 WeakPolarHBondContact O-CD2 3.42Å; N138-Y142 PolarHBondContact O-N 3.32Å
139D94.8Very high97.8Very high65 Ų6554.6 Ų54.635%0.34827%0.268SS..Hα-helixtrans-50.4-39.217964.8-51.3000113.8F141 Y142 R143 M164 L168D139-F141 VanDerWaalsContact C-N 3.28Å; D139-F141 PolarHBondContact O-N 3.12Å; D139-Y142 PolarHBondContact O-N 2.96Å; D139-R143 WeakPolarHBondContact O-CB 3.34Å; D139-R143 PolarHBondContact O-N 3.05Å; D139-M164 HydrophobicContact CB-SD 4.07Å; D139-L168 HydrophobicContact CB-CD2 3.55Å
140T97Very high97.8Very high100 Ų10052 Ų5261%0.61325%0.251SS*.Hα-helixtrans-60.2-40179.7-59.90000111.5N138N138-T140 PolarHBondContact O-N 2.95Å; N138-T140 WeakPolarHBondContact OD1-CB 3.32Å; N138-T140 PolarHBondContact OD1-N 2.71Å; N138-T140 VanDerWaalsContact OD1-N 3.16Å
141F98.6Very high97.7Very high26 Ų2651 Ų5111%0.11425%0.249CC..Hα-helixtrans-68.9-44.2176.6172.4-91.5000111.6L59 I85 F137 N138 D139 Q144 F145L59-F141 HydrophobicContact CD2-CE1 4.07Å; I85-F141 HydrophobicContact CD1-CE1 3.7Å; I85-F141 HydrophobicContact CD1-CZ 3.97Å; F137-F141 HydrophobicContact CB-CB 3.9Å; F137-F141 HydrophobicContact CB-CD1 3.59Å; F137-F141 HydrophobicContact CB-CE1 4.29Å; F137-F141 HydrophobicContact CB-CG 3.8Å; F137-F141 HydrophobicContact CD1-CB 4.01Å; F137-F141 AromaticContact CD1-CD1 3.86Å; F137-F141 HydrophobicContact CD1-CD1 3.86Å; F137-F141 AromaticContact CD1-CD2 3.49Å; F137-F141 HydrophobicContact CD1-CD2 3.49Å; F137-F141 VanDerWaalsContact CD1-CD2 3.49Å; F137-F141 HydrophobicContact CD1-CE1 4.2Å; F137-F141 AromaticContact CD1-CE2 3.85Å; F137-F141 HydrophobicContact CD1-CE2 3.85Å; F137-F141 AromaticContact CD1-CG 3.5Å; F137-F141 HydrophobicContact CD1-CG 3.5Å; F137-F141 VanDerWaalsContact CD1-CG 3.5Å; F137-F141 HydrophobicContact CD1-CZ 4.19Å; F137-F141 HydrophobicContact CD2-CD1 4.27Å; F137-F141 HydrophobicContact CD2-CE1 4.14Å; F137-F141 HydrophobicContact CD2-CZ 4.44Å; F137-F141 AromaticContact CE1-CD2 3.8Å; F137-F141 HydrophobicContact CE1-CD2 3.8Å; F137-F141 AromaticContact CE1-CE2 3.75Å; F137-F141 HydrophobicContact CE1-CE2 3.75Å; F137-F141 HydrophobicContact CE1-CG 4.26Å; F137-F141 HydrophobicContact CE1-CZ 4.17Å; F137-F141 HydrophobicContact CE2-CZ 4.41Å; F137-F141 HydrophobicContact CG-CB 4.3Å; F137-F141 AromaticContact CG-CD1 3.65Å; F137-F141 HydrophobicContact CG-CD1 3.65Å; F137-F141 HydrophobicContact CG-CD2 4.16Å; F137-F141 AromaticContact CG-CE1 3.95Å; F137-F141 HydrophobicContact CG-CE1 3.95Å; F137-F141 HydrophobicContact CG-CE2 4.42Å; F137-F141 AromaticContact CG-CG 3.77Å; F137-F141 HydrophobicContact CG-CG 3.77Å; F137-F141 HydrophobicContact CG-CZ 4.32Å; F137-F141 HydrophobicContact CZ-CE2 4.24Å; F137-F141 HydrophobicContact CZ-CZ 4.28Å; N138-F141 WeakPolarHBondContact O-CB 3.21Å; N138-F141 PolarHBondContact O-N 3.43Å; N138-F141 VanDerWaalsContact O-N 3.07Å; D139-F141 VanDerWaalsContact C-N 3.28Å; D139-F141 PolarHBondContact O-N 3.12Å; F141-Q144 WeakPolarHBondContact O-CG 3.32Å; F141-Q144 PolarHBondContact O-N 3.43Å; F141-Q144 PolarHBondContact O-NE2 3.39Å; F141-F145 AromaticContact CD1-CE2 3.98Å; F141-F145 HydrophobicContact CD1-CE2 3.98Å; F141-F145 AromaticContact CE1-CE2 3.49Å; F141-F145 HydrophobicContact CE1-CE2 3.49Å; F141-F145 VanDerWaalsContact CE1-CE2 3.49Å; F141-F145 HydrophobicContact CE1-CZ 4.04Å; F141-F145 HydrophobicContact CE2-CE2 4.24Å; F141-F145 HydrophobicContact CE2-CZ 4.18Å; F141-F145 AromaticContact CZ-CE2 3.65Å; F141-F145 HydrophobicContact CZ-CE2 3.65Å; F141-F145 AromaticContact CZ-CZ 3.7Å; F141-F145 HydrophobicContact CZ-CZ 3.7Å; F141-F145 WeakPolarHBondContact O-CE2 3.3Å
142Y98.4Very high97.5Very high0 Ų047.1 Ų47.10%023%0.233CC..Hα-helixtrans-73.4-29.1-175.5-68.1-71.9000113.3L59 I61 I85 I134 F137 N138 D139 Q144 F145 I148 W160 I161 M164L59-Y142 HydrophobicContact CD2-CD1 3.92Å; L59-Y142 HydrophobicContact CD2-CE1 3.81Å; I61-Y142 HydrophobicContact CD1-CE1 4.42Å; I85-Y142 HydrophobicContact CD1-CE1 4.46Å; I134-Y142 VanDerWaalsContact C-OH 3.3Å; I134-Y142 VanDerWaalsContact CA-OH 3.3Å; I134-Y142 WeakPolarHBondContact CA-OH 3.48Å; I134-Y142 WeakPolarHBondContact CB-OH 3.29Å; I134-Y142 PolarHBondContact O-OH 3.42Å; F137-Y142 HydrophobicContact CB-CD2 4.47Å; F137-Y142 HydrophobicContact CB-CE2 3.67Å; N138-Y142 WeakPolarHBondContact O-CD2 3.42Å; N138-Y142 PolarHBondContact O-N 3.32Å; D139-Y142 PolarHBondContact O-N 2.96Å; Y142-Q144 PolarHBondContact O-N 3.42Å; Y142-F145 PolarHBondContact O-N 3.06Å; Y142-I148 HydrophobicContact CD1-CD1 3.88Å; Y142-W160 AromaticContact CE2-CH2 3.89Å; Y142-W160 HydrophobicContact CE2-CH2 3.89Å; Y142-W160 AromaticContact CE2-CZ3 3.85Å; Y142-W160 HydrophobicContact CE2-CZ3 3.85Å; Y142-W160 AromaticContact CZ-CZ3 3.95Å; Y142-I161 HydrophobicContact CD1-CD1 3.85Å; Y142-I161 HydrophobicContact CE1-CD1 3.5Å; Y142-I161 VanDerWaalsContact CE1-CD1 3.5Å; Y142-M164 HydrophobicContact CD2-CE 3.99Å; Y142-M164 HydrophobicContact CD2-CG 3.32Å; Y142-M164 HydrophobicContact CD2-SD 3.75Å; Y142-M164 HydrophobicContact CE2-CE 4.1Å; Y142-M164 HydrophobicContact CE2-CG 3.83Å; Y142-M164 HydrophobicContact CE2-SD 4.4Å; Y142-M164 HydrophobicContact CG-CG 3.78Å
143R97.8Very high97.2Very high108 Ų10850 Ų5041%0.40825%0.249SC..THydrogen-bonded Turntrans-62.9-19.6177.5-166.9178.8-61.9-78.62.9113.7D139 F145 L168D139-R143 WeakPolarHBondContact O-CB 3.34Å; D139-R143 PolarHBondContact O-N 3.05Å; R143-F145 VanDerWaalsContact C-N 3.26Å; R143-F145 PolarHBondContact O-N 3.38Å; R143-L168 HydrophobicContact CB-CD1 4.48Å; R143-L168 PolarHBondContact NH1-O 3.14Å
144Q98.2Very high97Very high71 Ų7146.9 Ų46.933%0.33224%0.241SC..THydrogen-bonded Turntrans-75.3-12.9-17885.9-170.7-70.900114.2K57 F141 Y142K57-Q144 WeakPolarHBondContact CD-O 3.49Å; F141-Q144 WeakPolarHBondContact O-CG 3.32Å; F141-Q144 PolarHBondContact O-N 3.43Å; F141-Q144 PolarHBondContact O-NE2 3.39Å; Y142-Q144 PolarHBondContact O-N 3.42Å
145F98.7Very high96.7Very high5 Ų548.7 Ų48.72%0.02225%0.25CC..  trans-98.3143.4-175.4-59.1-72.9000111.1K57 L59 H83 F141 Y142 R143 I148K57-F145 HydrophobicContact CB-CD1 4.1Å; L59-F145 HydrophobicContact CB-CB 4.4Å; L59-F145 HydrophobicContact CB-CD1 3.7Å; L59-F145 HydrophobicContact CB-CD2 3.87Å; L59-F145 HydrophobicContact CB-CE1 3.88Å; L59-F145 HydrophobicContact CB-CE2 4.03Å; L59-F145 HydrophobicContact CB-CG 3.7Å; L59-F145 HydrophobicContact CB-CZ 4.04Å; L59-F145 HydrophobicContact CD1-CE1 4.43Å; L59-F145 HydrophobicContact CD1-CE2 4.34Å; L59-F145 HydrophobicContact CD1-CZ 4.05Å; L59-F145 HydrophobicContact CD2-CD2 3.95Å; L59-F145 HydrophobicContact CD2-CE2 3.79Å; L59-F145 HydrophobicContact CD2-CZ 4.33Å; L59-F145 HydrophobicContact CG-CD2 4.46Å; L59-F145 HydrophobicContact CG-CE2 4.28Å; L59-F145 HydrophobicContact CG-CZ 4.36Å; H83-F145 HydrophobicContact CB-CE1 3.65Å; H83-F145 HydrophobicContact CB-CZ 3.89Å; H83-F145 AromaticContact CD2-CE1 3.86Å; H83-F145 AromaticContact CG-CE1 3.5Å; H83-F145 AromaticContact CG-CZ 3.79Å; H83-F145 AromaticContact ND1-CE1 3.78Å; H83-F145 AromaticContact ND1-CZ 3.67Å; F141-F145 AromaticContact CD1-CE2 3.98Å; F141-F145 HydrophobicContact CD1-CE2 3.98Å; F141-F145 AromaticContact CE1-CE2 3.49Å; F141-F145 HydrophobicContact CE1-CE2 3.49Å; F141-F145 VanDerWaalsContact CE1-CE2 3.49Å; F141-F145 HydrophobicContact CE1-CZ 4.04Å; F141-F145 HydrophobicContact CE2-CE2 4.24Å; F141-F145 HydrophobicContact CE2-CZ 4.18Å; F141-F145 AromaticContact CZ-CE2 3.65Å; F141-F145 HydrophobicContact CZ-CE2 3.65Å; F141-F145 AromaticContact CZ-CZ 3.7Å; F141-F145 HydrophobicContact CZ-CZ 3.7Å; F141-F145 WeakPolarHBondContact O-CE2 3.3Å; Y142-F145 PolarHBondContact O-N 3.06Å; R143-F145 VanDerWaalsContact C-N 3.26Å; R143-F145 PolarHBondContact O-N 3.38Å; F145-I148 HydrophobicContact CB-CG1 4.27Å
146H98.6Very high96.6Very high94 Ų9448 Ų4844%0.43525%0.248SC..SBendtrans-80.3-35.8173.7-57.993.8000111.1T55 K57 P183T55-H146 PolarHBondContact O-CE1 3.39Å; K57-H146 PolarHBondContact N-ND1 3.05Å; K57-H146 PolarHBondContact O-N 3.29Å; H146-P183 WeakPolarHBondContact O-CD 3.24Å
147I98.8Very high96.5Very high4 Ų444 Ų442%0.02123%0.228CC..EExtended strand (participates in β ladder)trans-143.4140.6-178-53.2171.9000108.9V58 L59 P183 I185 V314 I317 A318V58-I147 WeakPolarHBondContact CA-O 3.39Å; V58-I147 HydrophobicContact CG2-CB 4.48Å; L59-I147 PolarHBondContact N-O 3.24Å; I147-P183 HydrophobicContact CG2-CB 4.44Å; I147-I185 HydrophobicContact CG2-CD1 4.3Å; I147-I185 HydrophobicContact CG2-CG1 4.43Å; I147-V314 HydrophobicContact CB-CG1 4.42Å; I147-V314 HydrophobicContact CD1-CG1 3.86Å; I147-V314 HydrophobicContact CG2-CG1 4.12Å; I147-V314 HydrophobicContact CG2-CG2 4.22Å; I147-I317 HydrophobicContact CD1-CB 3.94Å; I147-I317 HydrophobicContact CD1-CG2 3.62Å; I147-I317 HydrophobicContact CG1-CG2 3.99Å; I147-A318 HydrophobicContact CD1-CB 3.73Å
148I98.9Very high96.5Very high0 Ų042.8 Ų42.80%022%0.222CC..EExtended strand (participates in β ladder)trans-116.6133.9172.7-57.4-172.7000109.3L59 I61 Y142 F145 L165 V182 P183 L184 I185L59-I148 HydrophobicContact CB-CG1 4.15Å; L59-I148 HydrophobicContact CB-CG2 4.45Å; L59-I148 HydrophobicContact CD2-CD1 4.09Å; L59-I148 HydrophobicContact CD2-CG1 4.35Å; L59-I148 HydrophobicContact CD2-CG2 4.27Å; L59-I148 HydrophobicContact CG-CG2 4.45Å; L59-I148 CarbonylContact O-C 3.55Å; L59-I148 WeakPolarHBondContact O-CA 3.48Å; I61-I148 HydrophobicContact CD1-CG2 3.56Å; I61-I148 HydrophobicContact CG1-CG2 3.99Å; Y142-I148 HydrophobicContact CD1-CD1 3.88Å; F145-I148 HydrophobicContact CB-CG1 4.27Å; I148-L165 HydrophobicContact CB-CD1 4.48Å; I148-L165 HydrophobicContact CD1-CD1 4.08Å; I148-L165 HydrophobicContact CD1-CD2 3.41Å; I148-L165 VanDerWaalsContact CD1-CD2 3.41Å; I148-L165 HydrophobicContact CD1-CG 4.27Å; I148-L165 HydrophobicContact CG1-CD2 4.47Å; I148-V182 HydrophobicContact CD1-CG1 4.13Å; I148-V182 HydrophobicContact CG1-CG1 3.87Å; I148-P183 PolarHBondContact N-O 3.02Å; I148-L184 HydrophobicContact CB-CD1 4.31Å; I148-L184 HydrophobicContact CG2-CD1 4.06Å; I148-L184 CarbonylContact O-C 3.56Å; I148-L184 WeakPolarHBondContact O-CA 3.12Å; I148-I185 PolarHBondContact O-N 3.26Å
149V98.8Very high96.6Very high0 Ų039.1 Ų39.10%020%0.201CC..EExtended strand (participates in β ladder)trans-124.6133.1175.7650000111.5V58 L59 V60 I61 L70 L74 I185 C310 V314V58-V149 HydrophobicContact CG1-CG1 4.41Å; L59-V149 PolarHBondContact O-N 3.42Å; V60-V149 CarbonylContact C-O 3.57Å; V60-V149 WeakPolarHBondContact CA-O 3.49Å; V60-V149 HydrophobicContact CB-CG1 4.27Å; V60-V149 HydrophobicContact CG1-CG1 4.43Å; V60-V149 HydrophobicContact CG2-CG1 3.75Å; I61-V149 PolarHBondContact N-O 3.19Å; L70-V149 HydrophobicContact CD1-CB 4.45Å; L70-V149 HydrophobicContact CD1-CG1 4.06Å; L70-V149 HydrophobicContact CD1-CG2 3.64Å; L70-V149 HydrophobicContact CD2-CG1 4.45Å; L70-V149 HydrophobicContact CD2-CG2 3.63Å; L70-V149 HydrophobicContact CG-CG2 4.28Å; L74-V149 HydrophobicContact CD1-CG1 4.13Å; V149-I185 CarbonylContact C-O 3.13Å; V149-I185 WeakPolarHBondContact CA-O 3.4Å; V149-I185 HydrophobicContact CB-CB 4.35Å; V149-I185 HydrophobicContact CG2-CB 4.04Å; V149-I185 HydrophobicContact CG2-CG2 4.2Å; V149-C310 HydrophobicContact CG2-CB 4.06Å; V149-V314 HydrophobicContact CB-CG2 4.05Å; V149-V314 HydrophobicContact CG1-CG2 4.43Å; V149-V314 HydrophobicContact CG2-CG2 4.29Å
150C98.1Very high96.8Very high0 Ų037.1 Ų37.10%019%0.189CC..EExtended strand (participates in β ladder)trans-114.2133.8-172.4-700000112.4L152 L184 I185 D186 G187C150-L152 HydrophobicContact CB-CD1 4.21Å; C150-L152 HydrophobicContact CB-CG 4.3Å; C150-L184 VanDerWaalsContact SG-CD1 3.6Å; C150-I185 PolarHBondContact N-O 2.89Å; C150-D186 HydrophobicContact CB-CB 4.24Å; C150-D186 WeakPolarHBondContact CB-OD1 3.47Å; C150-G187 PolarHBondContact O-N 3.02Å
151G96.1Very high96.8Very high10 Ų1032.4 Ų32.410%0.10316%0.16CC..  trans-123.146.1165.300000111.1I61I61-G151 PolarHBondContact O-N 3.14Å
152L95Very high96.8Very high22 Ų2231.2 Ų31.212%0.11516%0.155CC..  trans-73.2157.4-175.9-72.2167.6000112.1I61 C150 A157 R158 I161I61-L152 HydrophobicContact CG2-CD1 4.18Å; I61-L152 HydrophobicContact CG2-CD2 3.56Å; I61-L152 HydrophobicContact CG2-CG 3.92Å; C150-L152 HydrophobicContact CB-CD1 4.21Å; C150-L152 HydrophobicContact CB-CG 4.3Å; L152-A157 HydrophobicContact CD1-CB 3.83Å; L152-A157 HydrophobicContact CD2-CB 3.82Å; L152-A157 HydrophobicContact CG-CB 4.28Å; L152-R158 HydrophobicContact CB-CG 4.03Å; L152-R158 HydrophobicContact CD1-CG 3.88Å; L152-R158 PolarHBondContact O-NH1 2.99Å; L152-R158 PolarHBondContact O-NH2 3.35Å; L152-I161 HydrophobicContact CD1-CG2 4.19Å
153D91.6Very high96.7Very high119 Ų11931.2 Ų31.264%0.63616%0.155SC*.SBendtrans-110.2-4-179.466.9-14.8000113.4
154S92.4Very high96.7Very high44 Ų4426.5 Ų26.531%0.30814%0.138SC..  trans-125.4146.8178.876.20000113I156 A157 R158S154-I156 VanDerWaalsContact C-N 3.34Å; S154-A157 WeakPolarHBondContact OG-CB 3.29Å; S154-A157 PolarHBondContact OG-N 2.88Å; S154-R158 PolarHBondContact O-N 2.76Å; S154-R158 PolarHBondContact O-NH1 3.24Å
155I92.9Very high96.7Very high46 Ų4623.1 Ų23.124%0.23612%0.122CC..Hα-helixtrans-65.6-41.7174.4-61.7174.8000109.7A157 R158 R159 L211 Y214I155-A157 PolarHBondContact O-N 3.09Å; I155-R158 WeakPolarHBondContact O-CB 3.32Å; I155-R158 PolarHBondContact O-N 3.37Å; I155-R158 VanDerWaalsContact O-N 3.14Å; I155-R159 HydrophobicContact CG2-CG 4.12Å; I155-R159 VanDerWaalsContact O-CG 3.32Å; I155-R159 WeakPolarHBondContact O-CG 3.19Å; I155-R159 PolarHBondContact O-N 3.45Å; I155-L211 HydrophobicContact CG2-CD1 3.96Å; I155-Y214 HydrophobicContact CD1-CD1 3.61Å; I155-Y214 HydrophobicContact CD1-CD2 4.07Å; I155-Y214 HydrophobicContact CD1-CE1 4.12Å; I155-Y214 HydrophobicContact CD1-CG 3.58Å; I155-Y214 HydrophobicContact CG1-CD1 3.77Å; I155-Y214 HydrophobicContact CG1-CD2 4.34Å; I155-Y214 HydrophobicContact CG1-CE1 3.73Å; I155-Y214 HydrophobicContact CG1-CE2 4.31Å; I155-Y214 HydrophobicContact CG1-CG 4.08Å; I155-Y214 HydrophobicContact CG2-CD2 4.14Å; I155-Y214 HydrophobicContact CG2-CE2 3.88Å
156I93.6Very high96.6Very high68 Ų6823.4 Ų23.435%0.34912%0.123SC..Hα-helixtrans-59.1-45.3-178.4-64.2163.9000111.1S154 R158 R159 W160 K384S154-I156 VanDerWaalsContact C-N 3.34Å; I156-R158 VanDerWaalsContact C-N 3.32Å; I156-R158 PolarHBondContact O-N 2.92Å; I156-R159 PolarHBondContact O-N 2.99Å; I156-W160 WeakPolarHBondContact O-CB 3.29Å; I156-W160 PolarHBondContact O-N 3.39Å; I156-K384 HydrophobicContact CD1-CG 4.44Å
157A95.9Very high96.4Very high10 Ų1021.5 Ų21.58%0.08312%0.121CC..Hα-helixtrans-62.2-40.1178.200000112I134 L152 S154 I155 W160 I161I134-A157 HydrophobicContact CD1-CB 3.83Å; I134-A157 WeakPolarHBondContact CD1-O 3.45Å; L152-A157 HydrophobicContact CD1-CB 3.83Å; L152-A157 HydrophobicContact CD2-CB 3.82Å; L152-A157 HydrophobicContact CG-CB 4.28Å; S154-A157 WeakPolarHBondContact OG-CB 3.29Å; S154-A157 PolarHBondContact OG-N 2.88Å; I155-A157 PolarHBondContact O-N 3.09Å; A157-W160 PolarHBondContact O-N 3.14Å; A157-I161 WeakPolarHBondContact O-CG2 3.49Å; A157-I161 PolarHBondContact O-N 2.87Å
158R97.9Very high96.3Very high16 Ų1621.3 Ų21.36%0.0612%0.12CC..Hα-helixtrans-63.8-42.6175.6-70179.5171.488.5-4.7112.5L152 S154 I155 I156 W160 I161 N162 D186 G187 I207 Y214L152-R158 HydrophobicContact CB-CG 4.03Å; L152-R158 HydrophobicContact CD1-CG 3.88Å; L152-R158 PolarHBondContact O-NH1 2.99Å; L152-R158 PolarHBondContact O-NH2 3.35Å; S154-R158 PolarHBondContact O-N 2.76Å; S154-R158 PolarHBondContact O-NH1 3.24Å; I155-R158 WeakPolarHBondContact O-CB 3.32Å; I155-R158 PolarHBondContact O-N 3.37Å; I155-R158 VanDerWaalsContact O-N 3.14Å; I156-R158 VanDerWaalsContact C-N 3.32Å; I156-R158 PolarHBondContact O-N 2.92Å; R158-W160 VanDerWaalsContact C-N 3.32Å; R158-I161 WeakPolarHBondContact O-CG2 3.48Å; R158-N162 WeakPolarHBondContact O-CB 3.46Å; R158-N162 PolarHBondContact O-N 3.38Å; R158-D186 WeakPolarHBondContact CD-OD1 3.46Å; R158-D186 WeakPolarHBondContact CG-OD1 3.39Å; R158-D186 IonicContact CZ-OD1 2.78Å; R158-D186 IonicContact NE-OD1 2.71Å; R158-D186 PolarHBondContact NE-OD1 2.89Å; R158-D186 IonicContact NE-OD2 2.72Å; R158-D186 PolarHBondContact NE-OD2 3.1Å; R158-G187 PolarHBondContact NH2-O 3.16Å; R158-I207 HydrophobicContact CB-CG2 4.34Å; R158-Y214 WeakPolarHBondContact CD-OH 3.36Å
159R97.1Very high96.1Very high13 Ų1322 Ų225%0.04912%0.124CC..Hα-helixtrans-62.4-41.3175.1-65.7-177.672.8-1764.5111.3I155 I156 N162 G163 I207 E208 L211 L381 Q382 T436I155-R159 HydrophobicContact CG2-CG 4.12Å; I155-R159 VanDerWaalsContact O-CG 3.32Å; I155-R159 WeakPolarHBondContact O-CG 3.19Å; I155-R159 PolarHBondContact O-N 3.45Å; I156-R159 PolarHBondContact O-N 2.99Å; R159-N162 WeakPolarHBondContact O-CB 3.49Å; R159-N162 PolarHBondContact O-N 3.23Å; R159-G163 PolarHBondContact O-N 3.19Å; R159-I207 HydrophobicContact CG-CG2 4.28Å; R159-E208 WeakPolarHBondContact CB-OE1 3.31Å; R159-E208 VanDerWaalsContact CG-OE1 3.24Å; R159-E208 WeakPolarHBondContact CG-OE1 3.19Å; R159-E208 IonicContact CZ-OE1 2.75Å; R159-E208 IonicContact CZ-OE2 2.73Å; R159-E208 IonicContact NE-OE1 3.86Å; R159-E208 PolarHBondContact NE-OE1 2.79Å; R159-E208 IonicContact NE-OE2 3.57Å; R159-E208 PolarHBondContact NE-OE2 2.66Å; R159-E208 IonicContact NH2-OE1 2.56Å; R159-E208 PolarHBondContact NH2-OE1 2.79Å; R159-E208 IonicContact NH2-OE2 3.88Å; R159-E208 PolarHBondContact NH2-OE2 3.42Å; R159-L211 HydrophobicContact CG-CD1 4.17Å; R159-L381 PolarHBondContact NH1-O 2.94Å; R159-L381 PolarHBondContact NH2-O 3.33Å; R159-Q382 PolarHBondContact NH1-O 3.5Å; R159-T436 CarbonylContact C-O 3.43Å; R159-T436 VanDerWaalsContact CB-O 3.26Å; R159-T436 WeakPolarHBondContact CB-O 3.29Å; R159-T436 VanDerWaalsContact NH1-CG2 3.32Å
160W97.8Very high95.8Very high23 Ų2325.7 Ų25.79%0.08714%0.143CC..Hα-helixtrans-65.5-51.5-179.1-170.296000111.8I134 Q135 Y142 I156 A157 R158 N162 G163 M164 T436 P438I134-W160 HydrophobicContact CB-CE3 4.23Å; I134-W160 HydrophobicContact CB-CZ3 4.11Å; I134-W160 HydrophobicContact CD1-CB 4.46Å; I134-W160 HydrophobicContact CD1-CD2 4.43Å; I134-W160 HydrophobicContact CD1-CE3 3.77Å; I134-W160 HydrophobicContact CD1-CZ3 4.48Å; I134-W160 HydrophobicContact CG1-CD2 4.46Å; I134-W160 HydrophobicContact CG1-CE3 3.81Å; I134-W160 HydrophobicContact CG1-CZ3 4.17Å; I134-W160 WeakPolarHBondContact O-CH2 3.26Å; I134-W160 VanDerWaalsContact O-CZ3 3.31Å; I134-W160 WeakPolarHBondContact O-CZ3 3.44Å; Q135-W160 HydrophobicContact CB-CZ2 4.26Å; Q135-W160 HydrophobicContact CG-CD2 3.95Å; Q135-W160 HydrophobicContact CG-CG 4.14Å; Q135-W160 HydrophobicContact CG-CZ2 4.17Å; Y142-W160 AromaticContact CE2-CH2 3.89Å; Y142-W160 HydrophobicContact CE2-CH2 3.89Å; Y142-W160 AromaticContact CE2-CZ3 3.85Å; Y142-W160 HydrophobicContact CE2-CZ3 3.85Å; Y142-W160 AromaticContact CZ-CZ3 3.95Å; I156-W160 WeakPolarHBondContact O-CB 3.29Å; I156-W160 PolarHBondContact O-N 3.39Å; A157-W160 PolarHBondContact O-N 3.14Å; R158-W160 VanDerWaalsContact C-N 3.32Å; W160-N162 VanDerWaalsContact C-N 3.26Å; W160-N162 PolarHBondContact O-N 3.16Å; W160-G163 PolarHBondContact O-N 2.99Å; W160-M164 HydrophobicContact CE3-CB 4.39Å; W160-M164 HydrophobicContact CH2-CB 4.44Å; W160-M164 HydrophobicContact CH2-CE 3.51Å; W160-M164 HydrophobicContact CH2-CG 4.49Å; W160-M164 HydrophobicContact CZ2-CE 3.94Å; W160-M164 HydrophobicContact CZ3-CB 4.06Å; W160-M164 HydrophobicContact CZ3-CE 4.25Å; W160-M164 HydrophobicContact CZ3-CG 4.31Å; W160-M164 PolarHBondContact O-N 3.07Å; W160-T436 VanDerWaalsContact CA-O 3.29Å; W160-T436 WeakPolarHBondContact CA-O 3.44Å; W160-T436 PolarHBondContact N-O 2.92Å; W160-P438 HydrophobicContact CD2-CG 4.28Å; W160-P438 HydrophobicContact CZ2-CB 3.96Å; W160-P438 HydrophobicContact CZ2-CG 4.2Å; W160-P438 WeakPolarHBondContact O-CD 3.38Å
161I98.3Very high95.5Very high1 Ų128.7 Ų28.71%0.00516%0.155CC..Hα-helixtrans-64.9-33.4178.8-169.865.3000111.8I61 I134 Y142 L152 A157 R158 M164 L165I61-I161 HydrophobicContact CD1-CD1 3.63Å; I61-I161 HydrophobicContact CD1-CG1 3.68Å; I134-I161 HydrophobicContact CD1-CB 4.39Å; Y142-I161 HydrophobicContact CD1-CD1 3.85Å; Y142-I161 HydrophobicContact CE1-CD1 3.5Å; Y142-I161 VanDerWaalsContact CE1-CD1 3.5Å; L152-I161 HydrophobicContact CD1-CG2 4.19Å; A157-I161 WeakPolarHBondContact O-CG2 3.49Å; A157-I161 PolarHBondContact O-N 2.87Å; R158-I161 WeakPolarHBondContact O-CG2 3.48Å; I161-M164 HydrophobicContact CD1-CB 4.33Å; I161-M164 HydrophobicContact CD1-CG 4.46Å; I161-M164 WeakPolarHBondContact O-CB 3.49Å; I161-M164 PolarHBondContact O-N 3.4Å; I161-L165 HydrophobicContact CG1-CD1 4.38Å; I161-L165 WeakPolarHBondContact O-CG 3.29Å; I161-L165 PolarHBondContact O-N 3.35Å
162N98Very high95.2Very high1 Ų134.8 Ų34.81%0.00518%0.181CC..Hα-helixtrans-60.6-47.8173172.684.2000112.3R158 R159 W160 M164 L165 I166 C206 I207R158-N162 WeakPolarHBondContact O-CB 3.46Å; R158-N162 PolarHBondContact O-N 3.38Å; R159-N162 WeakPolarHBondContact O-CB 3.49Å; R159-N162 PolarHBondContact O-N 3.23Å; W160-N162 VanDerWaalsContact C-N 3.26Å; W160-N162 PolarHBondContact O-N 3.16Å; N162-M164 VanDerWaalsContact C-N 3.32Å; N162-M164 PolarHBondContact O-N 3.32Å; N162-L165 PolarHBondContact O-N 2.94Å; N162-I166 WeakPolarHBondContact O-CD1 3.48Å; N162-I166 VanDerWaalsContact O-CG1 3.29Å; N162-I166 WeakPolarHBondContact O-CG1 3.4Å; N162-I166 PolarHBondContact O-N 3.31Å; N162-I166 VanDerWaalsContact O-N 3.07Å; N162-C206 VanDerWaalsContact OD1-CB 3.29Å; N162-C206 WeakPolarHBondContact OD1-CB 3.41Å; N162-I207 HydrophobicContact CB-CB 3.73Å; N162-I207 HydrophobicContact CB-CG1 3.52Å; N162-I207 PolarHBondContact OD1-N 3.21Å
163G96.2Very high94.9Very high0 Ų042.1 Ų42.10%022%0.22CC..Hα-helixtrans-63.3-38.5175.200000112.8R159 W160 L165 I166 S167 T437R159-G163 PolarHBondContact O-N 3.19Å; W160-G163 PolarHBondContact O-N 2.99Å; G163-L165 PolarHBondContact O-N 3.41Å; G163-I166 PolarHBondContact O-N 3.02Å; G163-S167 WeakPolarHBondContact O-CB 3.43Å; G163-S167 PolarHBondContact O-N 3.2Å; G163-T437 WeakPolarHBondContact CA-OG1 3.38Å
164M97.8Very high94.6Very high9 Ų939.5 Ų39.54%0.04422%0.222CC..Hα-helixtrans-56.7-50.9175.1177.35175.400111.1D139 Y142 W160 I161 N162 I166 S167 L168 P438D139-M164 HydrophobicContact CB-SD 4.07Å; Y142-M164 HydrophobicContact CD2-CE 3.99Å; Y142-M164 HydrophobicContact CD2-CG 3.32Å; Y142-M164 HydrophobicContact CD2-SD 3.75Å; Y142-M164 HydrophobicContact CE2-CE 4.1Å; Y142-M164 HydrophobicContact CE2-CG 3.83Å; Y142-M164 HydrophobicContact CE2-SD 4.4Å; Y142-M164 HydrophobicContact CG-CG 3.78Å; W160-M164 HydrophobicContact CE3-CB 4.39Å; W160-M164 HydrophobicContact CH2-CB 4.44Å; W160-M164 HydrophobicContact CH2-CE 3.51Å; W160-M164 HydrophobicContact CH2-CG 4.49Å; W160-M164 HydrophobicContact CZ2-CE 3.94Å; W160-M164 HydrophobicContact CZ3-CB 4.06Å; W160-M164 HydrophobicContact CZ3-CE 4.25Å; W160-M164 HydrophobicContact CZ3-CG 4.31Å; W160-M164 PolarHBondContact O-N 3.07Å; I161-M164 HydrophobicContact CD1-CB 4.33Å; I161-M164 HydrophobicContact CD1-CG 4.46Å; I161-M164 WeakPolarHBondContact O-CB 3.49Å; I161-M164 PolarHBondContact O-N 3.4Å; N162-M164 VanDerWaalsContact C-N 3.32Å; N162-M164 PolarHBondContact O-N 3.32Å; M164-I166 PolarHBondContact O-N 2.91Å; M164-S167 WeakPolarHBondContact O-CB 3.11Å; M164-S167 PolarHBondContact O-N 2.9Å; M164-S167 VanDerWaalsContact O-N 3.12Å; M164-S167 PolarHBondContact O-OG 3.5Å; M164-L168 WeakPolarHBondContact O-CG 3.38Å; M164-L168 PolarHBondContact O-N 3.06Å; M164-L168 HydrophobicContact SD-CD2 4.48Å; M164-P438 HydrophobicContact CB-CG 3.85Å; M164-P438 HydrophobicContact CE-CB 4.25Å; M164-P438 HydrophobicContact CE-CG 4.19Å; M164-P438 VanDerWaalsContact N-CG 3.3Å
165L98.1Very high94.6Very high0 Ų042.5 Ų42.50%024%0.238CC..Hα-helixtrans-70.7-30.5-177.9-60.6174.2000113.6I148 I161 N162 G163 S167 L168 V182 L184 P201I148-L165 HydrophobicContact CB-CD1 4.48Å; I148-L165 HydrophobicContact CD1-CD1 4.08Å; I148-L165 HydrophobicContact CD1-CD2 3.41Å; I148-L165 VanDerWaalsContact CD1-CD2 3.41Å; I148-L165 HydrophobicContact CD1-CG 4.27Å; I148-L165 HydrophobicContact CG1-CD2 4.47Å; I161-L165 HydrophobicContact CG1-CD1 4.38Å; I161-L165 WeakPolarHBondContact O-CG 3.29Å; I161-L165 PolarHBondContact O-N 3.35Å; N162-L165 PolarHBondContact O-N 2.94Å; G163-L165 PolarHBondContact O-N 3.41Å; L165-S167 VanDerWaalsContact C-N 3.3Å; L165-L168 HydrophobicContact CD2-CD1 3.83Å; L165-L168 PolarHBondContact O-N 3.31Å; L165-V182 HydrophobicContact CD2-CB 4.04Å; L165-V182 HydrophobicContact CD2-CG1 4.08Å; L165-L184 HydrophobicContact CD1-CB 3.64Å; L165-L184 HydrophobicContact CD1-CD1 4.03Å; L165-L184 HydrophobicContact CD1-CD2 4.11Å; L165-L184 HydrophobicContact CD1-CG 4.12Å; L165-P201 HydrophobicContact CB-CG 4Å
166I97Very high94.6Very high11 Ų1141.8 Ų41.86%0.05623%0.234CC..Hα-helixtrans-66.3-36.3170.8-68.1165.2000110.8N162 G163 M164 L168 L169 P201 C206 A352 C353N162-I166 WeakPolarHBondContact O-CD1 3.48Å; N162-I166 VanDerWaalsContact O-CG1 3.29Å; N162-I166 WeakPolarHBondContact O-CG1 3.4Å; N162-I166 PolarHBondContact O-N 3.31Å; N162-I166 VanDerWaalsContact O-N 3.07Å; G163-I166 PolarHBondContact O-N 3.02Å; M164-I166 PolarHBondContact O-N 2.91Å; I166-L168 PolarHBondContact O-N 3.27Å; I166-L169 HydrophobicContact CG2-CD1 4.4Å; I166-L169 WeakPolarHBondContact O-CB 3.4Å; I166-L169 VanDerWaalsContact O-CG 3.25Å; I166-L169 WeakPolarHBondContact O-CG 3.4Å; I166-L169 PolarHBondContact O-N 3.41Å; I166-P201 HydrophobicContact CG1-CB 4.21Å; I166-C206 HydrophobicContact CD1-CB 4.17Å; I166-A352 HydrophobicContact CD1-CB 3.77Å; I166-A352 WeakPolarHBondContact CG2-O 3.24Å; I166-C353 HydrophobicContact CD1-CB 3.86Å; I166-C353 HydrophobicContact CG1-CB 4.42Å
167S94.8Very high94.7Very high55 Ų5540.3 Ų40.339%0.38523%0.227SC..Hα-helixtrans-68.5-15.4177.779.60000114G163 M164 L165 L169G163-S167 WeakPolarHBondContact O-CB 3.43Å; G163-S167 PolarHBondContact O-N 3.2Å; M164-S167 WeakPolarHBondContact O-CB 3.11Å; M164-S167 PolarHBondContact O-N 2.9Å; M164-S167 VanDerWaalsContact O-N 3.12Å; M164-S167 PolarHBondContact O-OG 3.5Å; L165-S167 VanDerWaalsContact C-N 3.3Å; S167-L169 VanDerWaalsContact C-N 3.31Å
168L95.5Very high94.7Very high0 Ų044.5 Ų44.50%025%0.254CS..THydrogen-bonded Turntrans-78.3-17.8175.7-58.1-173.1000113.5D139 R143 M164 L165 I166 V182D139-L168 HydrophobicContact CB-CD2 3.55Å; R143-L168 HydrophobicContact CB-CD1 4.48Å; R143-L168 PolarHBondContact NH1-O 3.14Å; M164-L168 WeakPolarHBondContact O-CG 3.38Å; M164-L168 PolarHBondContact O-N 3.06Å; M164-L168 HydrophobicContact SD-CD2 4.48Å; L165-L168 HydrophobicContact CD2-CD1 3.83Å; L165-L168 PolarHBondContact O-N 3.31Å; I166-L168 PolarHBondContact O-N 3.27Å; L168-V182 HydrophobicContact CD1-CG2 3.97Å
169L96Very high94.6Very high15 Ų1548.7 Ų48.78%0.07929%0.285CS..  trans-67134-173.6-61.1-177.5000111.1I166 S167 Y171 L176 S180 I181 P201I166-L169 HydrophobicContact CG2-CD1 4.4Å; I166-L169 WeakPolarHBondContact O-CB 3.4Å; I166-L169 VanDerWaalsContact O-CG 3.25Å; I166-L169 WeakPolarHBondContact O-CG 3.4Å; I166-L169 PolarHBondContact O-N 3.41Å; S167-L169 VanDerWaalsContact C-N 3.31Å; L169-Y171 HydrophobicContact CB-CD2 4.34Å; L169-Y171 HydrophobicContact CB-CE2 3.65Å; L169-Y171 HydrophobicContact CD1-CE2 4.13Å; L169-L176 HydrophobicContact CB-CD1 4.05Å; L169-L176 HydrophobicContact CD1-CD1 4.29Å; L169-L176 HydrophobicContact CD2-CD1 4.05Å; L169-L176 HydrophobicContact CG-CD1 4.35Å; L169-S180 WeakPolarHBondContact CA-OG 3.01Å; L169-I181 HydrophobicContact CD2-CB 4.45Å; L169-I181 HydrophobicContact CD2-CG1 3.95Å; L169-P201 HydrophobicContact CD1-CB 4.16Å; L169-P201 HydrophobicContact CD2-CB 4.1Å; L169-P201 HydrophobicContact CG-CB 4.39Å
170N92.5Very high94.6Very high77 Ų7748.3 Ų48.341%0.41228%0.284SS..  trans-106.7132.1173.4-67.1-29.3000109.1D177 S180N170-D177 HydrophobicContact CB-CB 4.31Å; N170-D177 PolarHBondContact O-N 3.46Å; N170-S180 PolarHBondContact N-OG 2.8Å
171Y91.7Very high94.6Very high62 Ų6248.3 Ų48.324%0.24329%0.286CS..EExtended strand (participates in β ladder)trans-116.5113174.6-69-100.3000108.6L169 V175 L176 Q355L169-Y171 HydrophobicContact CB-CD2 4.34Å; L169-Y171 HydrophobicContact CB-CE2 3.65Å; L169-Y171 HydrophobicContact CD1-CE2 4.13Å; Y171-V175 CarbonylContact C-O 3.39Å; Y171-V175 WeakPolarHBondContact CA-O 3.42Å; Y171-L176 HydrophobicContact CD1-CB 4.06Å; Y171-L176 HydrophobicContact CD1-CD1 4.49Å; Y171-L176 HydrophobicContact CD2-CD1 4.48Å; Y171-L176 HydrophobicContact CE1-CB 3.73Å; Y171-L176 HydrophobicContact CE1-CD1 4.03Å; Y171-L176 HydrophobicContact CE1-CG 4.36Å; Y171-L176 HydrophobicContact CE2-CD1 3.98Å; Y171-Q355 HydrophobicContact CD1-CG 4.02Å; Y171-Q355 HydrophobicContact CE1-CG 3.54Å; Y171-Q355 HydrophobicContact CE2-CG 4.21Å; Y171-Q355 PolarHBondContact OH-NE2 2.85Å; Y171-Q355 VanDerWaalsContact OH-NE2 3.09Å
172E89.1Confident94.7Very high138 Ų13848.8 Ų48.865%0.64529%0.289SS*.EExtended strand (participates in β ladder)trans-95.5113.6175.4-63.1-172.4169.400108G174 V175E172-G174 PolarHBondContact O-N 2.67Å; E172-G174 VanDerWaalsContact O-N 3.08Å; E172-V175 PolarHBondContact N-O 2.99Å; E172-V175 WeakPolarHBondContact O-CB 3.36Å; E172-V175 PolarHBondContact O-N 3.24Å
173D88Confident94.7Very high176 Ų17649.4 Ų49.494%0.94129%0.293SS*.THydrogen-bonded Turntrans50.734.9-177.2-62.9-39.2000114.4V175D173-V175 VanDerWaalsContact C-N 3.31Å
174G86.6Confident94.8Very high65 Ų6549.5 Ų49.567%0.6729%0.294SS*.THydrogen-bonded Turntrans84.5-1.6-179.800000114.8E172E172-G174 PolarHBondContact O-N 2.67Å; E172-G174 VanDerWaalsContact O-N 3.08Å
175V91.8Very high94.9Very high106 Ų10649.1 Ų49.164%0.64229%0.292SS*.EExtended strand (participates in β ladder)trans-95.4129.3173.3-175.30000109.2Y171 E172 D173 D177Y171-V175 CarbonylContact C-O 3.39Å; Y171-V175 WeakPolarHBondContact CA-O 3.42Å; E172-V175 PolarHBondContact N-O 2.99Å; E172-V175 WeakPolarHBondContact O-CB 3.36Å; E172-V175 PolarHBondContact O-N 3.24Å; D173-V175 VanDerWaalsContact C-N 3.31Å; V175-D177 PolarHBondContact O-N 3.33Å
176L93.7Very high94.9Very high32 Ų3249.2 Ų49.217%0.16829%0.292CS..EExtended strand (participates in β ladder)trans-69.3123.1177.5174.858.2000110.4L169 Y171 P178 I181 M203L169-L176 HydrophobicContact CB-CD1 4.05Å; L169-L176 HydrophobicContact CD1-CD1 4.29Å; L169-L176 HydrophobicContact CD2-CD1 4.05Å; L169-L176 HydrophobicContact CG-CD1 4.35Å; Y171-L176 HydrophobicContact CD1-CB 4.06Å; Y171-L176 HydrophobicContact CD1-CD1 4.49Å; Y171-L176 HydrophobicContact CD2-CD1 4.48Å; Y171-L176 HydrophobicContact CE1-CB 3.73Å; Y171-L176 HydrophobicContact CE1-CD1 4.03Å; Y171-L176 HydrophobicContact CE1-CG 4.36Å; Y171-L176 HydrophobicContact CE2-CD1 3.98Å; L176-P178 WeakPolarHBondContact O-CD 3.29Å; L176-I181 HydrophobicContact CD1-CG1 4.38Å; L176-I181 HydrophobicContact CD2-CD1 3.69Å; L176-I181 HydrophobicContact CD2-CG1 4.15Å; L176-I181 HydrophobicContact CG-CD1 4.15Å; L176-I181 HydrophobicContact CG-CG1 4.35Å; L176-M203 HydrophobicContact CD2-CG 3.8Å
177D95.1Very high95Very high37 Ų3748.7 Ų48.720%0.19829%0.29CS..  trans-71.8113.9169.5167.619.7000109.5N170 V175 S179 S180N170-D177 HydrophobicContact CB-CB 4.31Å; N170-D177 PolarHBondContact O-N 3.46Å; V175-D177 PolarHBondContact O-N 3.33Å; D177-S179 VanDerWaalsContact CG-OG 3.23Å; D177-S179 PolarHBondContact O-N 3.03Å; D177-S179 WeakPolarHBondContact OD1-CB 3.36Å; D177-S179 PolarHBondContact OD1-N 2.63Å; D177-S179 PolarHBondContact OD1-OG 3.35Å; D177-S179 PolarHBondContact OD2-OG 3.3Å; D177-S180 WeakPolarHBondContact O-CB 3.47Å; D177-S180 PolarHBondContact O-N 3.45Å; D177-S180 VanDerWaalsContact O-N 3.14Å; D177-S180 PolarHBondContact O-OG 3.37Å
178P95.7Very high95.1Very high98 Ų9846.4 Ų46.464%0.63627%0.274SS*.G310 helixtrans-63.4-24.5-177.627.3-35.2000113.1L176 S180 I181L176-P178 WeakPolarHBondContact O-CD 3.29Å; P178-S180 PolarHBondContact O-N 3.48Å; P178-I181 WeakPolarHBondContact O-CB 3.39Å; P178-I181 PolarHBondContact O-N 2.91Å
179S96.2Very high95.1Very high103 Ų10348.4 Ų48.472%0.7229%0.286SS*.G310 helixtrans-72.4-18.1179.481.90000113.2D177 I181D177-S179 VanDerWaalsContact CG-OG 3.23Å; D177-S179 PolarHBondContact O-N 3.03Å; D177-S179 WeakPolarHBondContact OD1-CB 3.36Å; D177-S179 PolarHBondContact OD1-N 2.63Å; D177-S179 PolarHBondContact OD1-OG 3.35Å; D177-S179 PolarHBondContact OD2-OG 3.3Å; S179-I181 VanDerWaalsContact C-N 3.31Å
180S97.1Very high95.1Very high5 Ų552.8 Ų52.84%0.03531%0.307CS..G310 helixtrans-81.5-10.4175.174.20000113.5L169 N170 D177 P178 V182L169-S180 WeakPolarHBondContact CA-OG 3.01Å; N170-S180 PolarHBondContact N-OG 2.8Å; D177-S180 WeakPolarHBondContact O-CB 3.47Å; D177-S180 PolarHBondContact O-N 3.45Å; D177-S180 VanDerWaalsContact O-N 3.14Å; D177-S180 PolarHBondContact O-OG 3.37Å; P178-S180 PolarHBondContact O-N 3.48Å; S180-V182 PolarHBondContact O-N 2.93Å
181I98.3Very high95.2Very high24 Ų2449.8 Ų49.812%0.12329%0.294CS..  trans-80.1119.6-178.4-55.8177.4000109.1L169 L176 P178 S179 P183 L200 M203L169-I181 HydrophobicContact CD2-CB 4.45Å; L169-I181 HydrophobicContact CD2-CG1 3.95Å; L176-I181 HydrophobicContact CD1-CG1 4.38Å; L176-I181 HydrophobicContact CD2-CD1 3.69Å; L176-I181 HydrophobicContact CD2-CG1 4.15Å; L176-I181 HydrophobicContact CG-CD1 4.15Å; L176-I181 HydrophobicContact CG-CG1 4.35Å; P178-I181 WeakPolarHBondContact O-CB 3.39Å; P178-I181 PolarHBondContact O-N 2.91Å; S179-I181 VanDerWaalsContact C-N 3.31Å; I181-P183 WeakPolarHBondContact O-CD 3.44Å; I181-L200 HydrophobicContact CG2-CB 4.49Å; I181-M203 HydrophobicContact CD1-CG 3.86Å; I181-M203 HydrophobicContact CD1-SD 3.39Å; I181-M203 WeakPolarHBondContact CD1-SD 3.35Å
182V98.7Very high95.5Very high10 Ų1051.8 Ų51.86%0.06130%0.304CS..  trans-104.5104.9168-178.10000108.4I148 L165 L168 S180 L184 P201I148-V182 HydrophobicContact CD1-CG1 4.13Å; I148-V182 HydrophobicContact CG1-CG1 3.87Å; L165-V182 HydrophobicContact CD2-CB 4.04Å; L165-V182 HydrophobicContact CD2-CG1 4.08Å; L168-V182 HydrophobicContact CD1-CG2 3.97Å; S180-V182 PolarHBondContact O-N 2.93Å; V182-L184 PolarHBondContact O-N 3.42Å; V182-P201 WeakPolarHBondContact O-CD 3.43Å; V182-P201 WeakPolarHBondContact O-CG 3.39Å
183P98.8Very high95.9Very high15 Ų1550.9 Ų50.910%0.09730%0.298CS..  trans-52.6132.9176.2-29.835.3000113H146 I147 I148 I181 L200 I317H146-P183 WeakPolarHBondContact O-CD 3.24Å; I147-P183 HydrophobicContact CG2-CB 4.44Å; I148-P183 PolarHBondContact N-O 3.02Å; I181-P183 WeakPolarHBondContact O-CD 3.44Å; P183-L200 HydrophobicContact CB-CD2 3.91Å; P183-L200 HydrophobicContact CG-CD2 3.83Å; P183-I317 HydrophobicContact CB-CD1 4.12Å; P183-I317 HydrophobicContact CB-CG2 4.03Å; P183-I317 HydrophobicContact CG-CG2 3.8Å
184L98.8Very high96.4Very high2 Ų242.8 Ų42.81%0.0126%0.256CS..EExtended strand (participates in β ladder)trans-112.6123.7175.917463000109.8I148 C150 L165 V182 I199 I207I148-L184 HydrophobicContact CB-CD1 4.31Å; I148-L184 HydrophobicContact CG2-CD1 4.06Å; I148-L184 CarbonylContact O-C 3.56Å; I148-L184 WeakPolarHBondContact O-CA 3.12Å; C150-L184 VanDerWaalsContact SG-CD1 3.6Å; L165-L184 HydrophobicContact CD1-CB 3.64Å; L165-L184 HydrophobicContact CD1-CD1 4.03Å; L165-L184 HydrophobicContact CD1-CD2 4.11Å; L165-L184 HydrophobicContact CD1-CG 4.12Å; V182-L184 PolarHBondContact O-N 3.42Å; L184-I199 HydrophobicContact CB-CB 4.17Å; L184-I199 HydrophobicContact CD2-CD1 4.09Å; L184-I199 PolarHBondContact N-O 2.93Å; L184-I199 WeakPolarHBondContact O-CA 3.37Å; L184-I199 WeakPolarHBondContact O-CB 3.46Å; L184-I199 PolarHBondContact O-N 3.4Å; L184-I207 HydrophobicContact CD2-CG1 4.4Å
185I98.8Very high96.9Very high1 Ų141.1 Ų41.11%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-112.4119.1173.6-52.2-173.5000107.9I147 I148 V149 C150 R197 V198 C310 E313 V314 I317I147-I185 HydrophobicContact CG2-CD1 4.3Å; I147-I185 HydrophobicContact CG2-CG1 4.43Å; I148-I185 PolarHBondContact O-N 3.26Å; V149-I185 CarbonylContact C-O 3.13Å; V149-I185 WeakPolarHBondContact CA-O 3.4Å; V149-I185 HydrophobicContact CB-CB 4.35Å; V149-I185 HydrophobicContact CG2-CB 4.04Å; V149-I185 HydrophobicContact CG2-CG2 4.2Å; C150-I185 PolarHBondContact N-O 2.89Å; I185-R197 CarbonylContact C-O 3.49Å; I185-R197 WeakPolarHBondContact CA-O 3.42Å; I185-V198 HydrophobicContact CG1-CG2 4.48Å; I185-C310 HydrophobicContact CG2-CB 3.75Å; I185-E313 VanDerWaalsContact CD1-C 3.44Å; I185-E313 HydrophobicContact CD1-CB 3.71Å; I185-E313 HydrophobicContact CG2-CB 4.44Å; I185-V314 HydrophobicContact CD1-CB 4.13Å; I185-V314 HydrophobicContact CD1-CG2 3.51Å; I185-V314 HydrophobicContact CG1-CG2 4.46Å; I185-I317 HydrophobicContact CD1-CD1 3.66Å; I185-I317 HydrophobicContact CG1-CD1 4.12Å
186D98.7Very high97.2Very high2 Ų236.1 Ų36.11%0.01120%0.202CC..EExtended strand (participates in β ladder)trans-118.2131.3-177.9174.284.4000111.1C150 R158 A196 R197 I207C150-D186 HydrophobicContact CB-CB 4.24Å; C150-D186 WeakPolarHBondContact CB-OD1 3.47Å; R158-D186 WeakPolarHBondContact CD-OD1 3.46Å; R158-D186 WeakPolarHBondContact CG-OD1 3.39Å; R158-D186 IonicContact CZ-OD1 2.78Å; R158-D186 IonicContact NE-OD1 2.71Å; R158-D186 PolarHBondContact NE-OD1 2.89Å; R158-D186 IonicContact NE-OD2 2.72Å; R158-D186 PolarHBondContact NE-OD2 3.1Å; D186-A196 CarbonylContact O-C 3.58Å; D186-A196 WeakPolarHBondContact O-CA 3.42Å; D186-R197 HydrophobicContact CB-CG 3.8Å; D186-R197 PolarHBondContact N-O 3.23Å; D186-R197 WeakPolarHBondContact O-CG 3.42Å; D186-R197 PolarHBondContact O-N 3Å; D186-R197 IonicContact OD2-CZ 2.59Å; D186-R197 IonicContact OD2-NE 2.78Å; D186-R197 PolarHBondContact OD2-NE 3.19Å; D186-R197 IonicContact OD2-NH2 3.33Å; D186-R197 PolarHBondContact OD2-NH2 2.86Å; D186-I207 HydrophobicContact CB-CD1 4.38Å
187G98.3Very high97.4Very high0 Ų034.6 Ų34.60%019%0.194CC..EExtended strand (participates in β ladder)trans-111.5143.4172.200000111.5C150 R158 N195C150-G187 PolarHBondContact O-N 3.02Å; R158-G187 PolarHBondContact NH2-O 3.16Å; G187-N195 CarbonylContact C-O 3.53Å; G187-N195 WeakPolarHBondContact CA-O 3.18Å
188G97Very high97.6Very high6 Ų633.1 Ų33.16%0.06219%0.186CC..EExtended strand (participates in β ladder)trans-130.5141.8172.400000111.1G194 N195G188-G194 CarbonylContact O-C 3.56Å; G188-G194 WeakPolarHBondContact O-CA 3.49Å; G188-N195 PolarHBondContact N-O 3.39Å; G188-N195 PolarHBondContact O-N 3.37Å
189T96.5Very high97.7Very high42 Ų4228.5 Ų28.526%0.25816%0.156SC..EExtended strand (participates in β ladder)trans-137.5138.8178560000111.2L66 T302 N303 I306L66-T189 HydrophobicContact CD1-CG2 4.1Å; T189-T302 HydrophobicContact CG2-CG2 4.11Å; T189-N303 PolarHBondContact OG1-OD1 3.1Å; T189-I306 HydrophobicContact CG2-CB 3.94Å; T189-I306 HydrophobicContact CG2-CG1 3.74Å; T189-I306 HydrophobicContact CG2-CG2 4.44Å
190E94.9Very high97.8Very high108 Ų10826 Ų2651%0.50513%0.134SC..EExtended strand (participates in β ladder)trans-150.1108.7174.4170.1166.2178.600109F192 K193 I296E190-F192 PolarHBondContact O-N 3.37Å; E190-K193 CarbonylContact C-O 3.42Å; E190-K193 PolarHBondContact N-O 3.17Å; E190-K193 PolarHBondContact O-N 3.21Å; E190-K193 VanDerWaalsContact O-O 3.12Å; E190-I296 HydrophobicContact CB-CG2 3.93Å; E190-I296 HydrophobicContact CG-CG2 3.66Å
191G95.3Very high97.9Very high14 Ų1425.8 Ų25.814%0.14413%0.133CC..THydrogen-bonded Turntrans54.4-111.4-176.900000112.3P297 T302G191-P297 VanDerWaalsContact CA-O 3.27Å; G191-P297 WeakPolarHBondContact CA-O 3.2Å; G191-P297 PolarHBondContact N-O 3.15Å; G191-T302 WeakPolarHBondContact O-CB 3.47Å; G191-T302 PolarHBondContact O-OG1 3.42Å
192F97.5Very high97.7Very high103 Ų10324.9 Ų24.945%0.45213%0.13SC..THydrogen-bonded Turntrans-102.619.8-177.9-68.4-55.1000112.5E190 V299 N332 D333 V334E190-F192 PolarHBondContact O-N 3.37Å; F192-V299 HydrophobicContact CD1-CG2 4.39Å; F192-V299 HydrophobicContact CE1-CG1 4.49Å; F192-V299 HydrophobicContact CE1-CG2 4.19Å; F192-N332 WeakPolarHBondContact O-CA 3.28Å; F192-N332 PolarHBondContact O-OD1 2.92Å; F192-D333 WeakPolarHBondContact CA-OD1 3.49Å; F192-D333 WeakPolarHBondContact CB-OD1 3.39Å; F192-D333 VanDerWaalsContact CD1-OD1 3.28Å; F192-D333 WeakPolarHBondContact CD1-OD1 3.48Å; F192-D333 PolarHBondContact O-N 3.11Å; F192-V334 HydrophobicContact CB-CG2 3.6Å; F192-V334 HydrophobicContact CD2-CG2 4.46Å; F192-V334 HydrophobicContact CG-CG2 4.42Å
193K97.8Very high97.6Very high120 Ų12029.7 Ų29.752%0.52215%0.153SC..EExtended strand (participates in β ladder)trans-130.8149.2179.1-61.4175.8-175.31740109.1E190 T302 F331 N332E190-K193 CarbonylContact C-O 3.42Å; E190-K193 PolarHBondContact N-O 3.17Å; E190-K193 PolarHBondContact O-N 3.21Å; E190-K193 VanDerWaalsContact O-O 3.12Å; K193-T302 VanDerWaalsContact O-CG2 3.31Å; K193-T302 WeakPolarHBondContact O-CG2 3.22Å; K193-F331 WeakPolarHBondContact CA-O 3.37Å; K193-N332 HydrophobicContact CG-CB 4.46Å
194G97.8Very high97.5Very high6 Ų630.4 Ų30.46%0.06216%0.157CC..EExtended strand (participates in β ladder)trans-159.8170.8172.700000111.8G188 F331G188-G194 CarbonylContact O-C 3.56Å; G188-G194 WeakPolarHBondContact O-CA 3.49Å; G194-F331 PolarHBondContact N-O 3.43Å; G194-F331 PolarHBondContact O-N 3.01Å
195N98Very high97.5Very high29 Ų2930.4 Ų30.416%0.15516%0.157CC..EExtended strand (participates in β ladder)trans-144.8151.8174.568.4-82.2000110.1G187 G188 I306 Y328 L329G187-N195 CarbonylContact C-O 3.53Å; G187-N195 WeakPolarHBondContact CA-O 3.18Å; G188-N195 PolarHBondContact N-O 3.39Å; G188-N195 PolarHBondContact O-N 3.37Å; N195-I306 WeakPolarHBondContact O-CG2 3.48Å; N195-Y328 HydrophobicContact CB-CE1 3.8Å; N195-Y328 PolarHBondContact ND2-OH 2.87Å; N195-L329 CarbonylContact C-O 3.53Å; N195-L329 WeakPolarHBondContact CA-O 3.24Å; N195-L329 VanDerWaalsContact CB-O 3.29Å; N195-L329 WeakPolarHBondContact CB-O 3.37Å
196A98.6Very high97.4Very high1 Ų130.3 Ų30.31%0.00816%0.157CC..EExtended strand (participates in β ladder)trans-128.1143.8169.900000108.2D186 I306 V309 L329D186-A196 CarbonylContact O-C 3.58Å; D186-A196 WeakPolarHBondContact O-CA 3.42Å; A196-I306 HydrophobicContact CB-CG2 4.35Å; A196-V309 HydrophobicContact CB-CB 4.13Å; A196-V309 HydrophobicContact CB-CG1 3.59Å; A196-L329 PolarHBondContact N-O 3.39Å; A196-L329 PolarHBondContact O-N 3Å
197R97.8Very high97.4Very high1 Ų130.3 Ų30.30%0.00416%0.156CC..EExtended strand (participates in β ladder)trans-140.8145.2175.358.7-176151.7-163.6-10.4113I185 D186 I199 T210 Y214 N327 Y328I185-R197 CarbonylContact C-O 3.49Å; I185-R197 WeakPolarHBondContact CA-O 3.42Å; D186-R197 HydrophobicContact CB-CG 3.8Å; D186-R197 PolarHBondContact N-O 3.23Å; D186-R197 WeakPolarHBondContact O-CG 3.42Å; D186-R197 PolarHBondContact O-N 3Å; D186-R197 IonicContact OD2-CZ 2.59Å; D186-R197 IonicContact OD2-NE 2.78Å; D186-R197 PolarHBondContact OD2-NE 3.19Å; D186-R197 IonicContact OD2-NH2 3.33Å; D186-R197 PolarHBondContact OD2-NH2 2.86Å; R197-I199 HydrophobicContact CG-CD1 4.25Å; R197-I199 HydrophobicContact CG-CG1 4.43Å; R197-T210 PolarHBondContact NH1-OG1 2.78Å; R197-Y214 PolarHBondContact NH2-OH 3.42Å; R197-N327 CarbonylContact C-O 3.51Å; R197-N327 WeakPolarHBondContact CA-O 3.42Å; R197-N327 VanDerWaalsContact CB-O 3.24Å; R197-N327 WeakPolarHBondContact CB-O 3.44Å; R197-Y328 HydrophobicContact CB-CD2 4.06Å; R197-Y328 HydrophobicContact CB-CE2 4.34Å
198V98.8Very high97.2Very high6 Ų630.7 Ų30.74%0.03616%0.158CC..EExtended strand (participates in β ladder)trans-112.5118.2174.5179.40000108.4I185 E313 I317 P324 L325 N327I185-V198 HydrophobicContact CG1-CG2 4.48Å; V198-E313 HydrophobicContact CG2-CB 3.67Å; V198-E313 HydrophobicContact CG2-CG 3.69Å; V198-I317 HydrophobicContact CG1-CD1 3.66Å; V198-P324 HydrophobicContact CG1-CB 4.48Å; V198-L325 HydrophobicContact CG2-CB 4Å; V198-L325 HydrophobicContact CG2-CD2 4.4Å; V198-L325 HydrophobicContact CG2-CG 4.5Å; V198-N327 PolarHBondContact N-O 3.21Å
199I98.7Very high97.2Very high0 Ų030.7 Ų30.70%016%0.157CC..EExtended strand (participates in β ladder)trans-116.8126-176.8-58.9169.6000107.9L184 R197 P201 C206 I207L184-I199 HydrophobicContact CB-CB 4.17Å; L184-I199 HydrophobicContact CD2-CD1 4.09Å; L184-I199 PolarHBondContact N-O 2.93Å; L184-I199 WeakPolarHBondContact O-CA 3.37Å; L184-I199 WeakPolarHBondContact O-CB 3.46Å; L184-I199 PolarHBondContact O-N 3.4Å; R197-I199 HydrophobicContact CG-CD1 4.25Å; R197-I199 HydrophobicContact CG-CG1 4.43Å; I199-P201 WeakPolarHBondContact O-CD 3.35Å; I199-C206 HydrophobicContact CG2-CB 4.32Å; I199-I207 HydrophobicContact CD1-CD1 3.44Å; I199-I207 VanDerWaalsContact CD1-CD1 3.44Å; I199-I207 HydrophobicContact CD1-CG1 3.73Å
200L98.5Very high97.2Very high50 Ų5029 Ų2926%0.26215%0.147SC..  trans-107.597.5168.9-59.6178.7000106.1I181 P183 G202 M203 T204I181-L200 HydrophobicContact CG2-CB 4.49Å; P183-L200 HydrophobicContact CB-CD2 3.91Å; P183-L200 HydrophobicContact CG-CD2 3.83Å; L200-G202 PolarHBondContact O-N 3.09Å; L200-M203 HydrophobicContact CB-CB 4.05Å; L200-M203 PolarHBondContact O-N 3.08Å; L200-T204 HydrophobicContact CB-CG2 4.07Å; L200-T204 HydrophobicContact CD1-CG2 4.2Å; L200-T204 HydrophobicContact CG-CG2 4.27Å; L200-T204 PolarHBondContact N-OG1 2.92Å; L200-T204 PolarHBondContact O-N 2.85Å
201P97.9Very high97.1Very high1 Ų124 Ų241%0.00612%0.124CC..THydrogen-bonded Turntrans-51.5131.4-175-28.535.3000112L165 I166 L169 V182 I199 M203L165-P201 HydrophobicContact CB-CG 4Å; I166-P201 HydrophobicContact CG1-CB 4.21Å; L169-P201 HydrophobicContact CD1-CB 4.16Å; L169-P201 HydrophobicContact CD2-CB 4.1Å; L169-P201 HydrophobicContact CG-CB 4.39Å; V182-P201 WeakPolarHBondContact O-CD 3.43Å; V182-P201 WeakPolarHBondContact O-CG 3.39Å; I199-P201 WeakPolarHBondContact O-CD 3.35Å; P201-M203 PolarHBondContact O-N 3.37Å
202G95.1Very high96.9Very high6 Ų628.6 Ų28.66%0.06214%0.142CC..THydrogen-bonded Turntrans80.4-7.5-178.200000115.4L200 R346L200-G202 PolarHBondContact O-N 3.09Å; G202-R346 PolarHBondContact O-NH1 2.91Å; G202-R346 PolarHBondContact O-NH2 3.43Å; G202-R346 VanDerWaalsContact O-NH2 3.13Å
203M96.2Very high96.6Very high110 Ų11028.3 Ų28.354%0.54214%0.144SC..THydrogen-bonded Turntrans-116.7-54.2177.9-64.7-177.571.500112.7L176 I181 L200 P201 R346L176-M203 HydrophobicContact CD2-CG 3.8Å; I181-M203 HydrophobicContact CD1-CG 3.86Å; I181-M203 HydrophobicContact CD1-SD 3.39Å; I181-M203 WeakPolarHBondContact CD1-SD 3.35Å; L200-M203 HydrophobicContact CB-CB 4.05Å; L200-M203 PolarHBondContact O-N 3.08Å; P201-M203 PolarHBondContact O-N 3.37Å; M203-R346 WeakPolarHBondContact O-CD 3.16Å
204T97.5Very high96.3Very high30 Ų3024.9 Ų24.918%0.18413%0.128CC..SBendtrans-102.6175.4-178680000112.2L200 C206L200-T204 HydrophobicContact CB-CG2 4.07Å; L200-T204 HydrophobicContact CD1-CG2 4.2Å; L200-T204 HydrophobicContact CG-CG2 4.27Å; L200-T204 PolarHBondContact N-OG1 2.92Å; L200-T204 PolarHBondContact O-N 2.85Å; T204-C206 PolarHBondContact O-N 3.12Å
205A97.9Very high95.9Very high2 Ų228.7 Ų28.72%0.01715%0.152CC..  trans-62121.617600000111.2C209 N327 A344 R346A205-C209 HydrophobicContact CB-CB 3.8Å; A205-N327 PolarHBondContact O-ND2 3.05Å; A205-A344 HydrophobicContact CB-CB 4.02Å; A205-A344 VanDerWaalsContact CB-O 3.29Å; A205-A344 WeakPolarHBondContact CB-O 3.45Å; A205-R346 HydrophobicContact CB-CB 4.31Å
206C97.8Very high95.2Very high0 Ų033.1 Ų33.10%018%0.182CC..  trans-82.9-179.1179.679.60000112.1N162 I166 I199 T204 E208 C209 T210 C353N162-C206 VanDerWaalsContact OD1-CB 3.29Å; N162-C206 WeakPolarHBondContact OD1-CB 3.41Å; I166-C206 HydrophobicContact CD1-CB 4.17Å; I199-C206 HydrophobicContact CG2-CB 4.32Å; T204-C206 PolarHBondContact O-N 3.12Å; C206-E208 VanDerWaalsContact C-N 3.3Å; C206-E208 PolarHBondContact O-N 2.9Å; C206-E208 PolarHBondContact SG-N 3.27Å; C206-C209 WeakPolarHBondContact O-CB 3.4Å; C206-C209 PolarHBondContact O-N 2.85Å; C206-T210 PolarHBondContact O-OG1 3.2Å; C206-C353 HydrophobicContact CB-CB 4.26Å; C206-C353 VanDerWaalsContact SG-SG 3.61Å
207I97.3Very high94.4Very high1 Ų138.1 Ų38.11%0.00521%0.206CC..THydrogen-bonded Turntrans-58-42.7177.4-60.5-68.5000111.2R158 R159 N162 L184 D186 I199 C209 T210 L211R158-I207 HydrophobicContact CB-CG2 4.34Å; R159-I207 HydrophobicContact CG-CG2 4.28Å; N162-I207 HydrophobicContact CB-CB 3.73Å; N162-I207 HydrophobicContact CB-CG1 3.52Å; N162-I207 PolarHBondContact OD1-N 3.21Å; L184-I207 HydrophobicContact CD2-CG1 4.4Å; D186-I207 HydrophobicContact CB-CD1 4.38Å; I199-I207 HydrophobicContact CD1-CD1 3.44Å; I199-I207 VanDerWaalsContact CD1-CD1 3.44Å; I199-I207 HydrophobicContact CD1-CG1 3.73Å; I207-C209 VanDerWaalsContact C-N 3.33Å; I207-C209 PolarHBondContact O-N 2.81Å; I207-T210 CarbonylContact O-C 3.59Å; I207-T210 PolarHBondContact O-N 2.79Å; I207-T210 PolarHBondContact O-OG1 2.89Å; I207-L211 PolarHBondContact O-N 3.28Å; I207-L211 VanDerWaalsContact O-N 3.14Å
208E95.4Very high93.6Very high8 Ų843.4 Ų43.44%0.03724%0.237CC..G310 helixtrans-67.1-31.3179.7-63.8-57.9141.200113R159 C206 T210 L211 A352R159-E208 WeakPolarHBondContact CB-OE1 3.31Å; R159-E208 VanDerWaalsContact CG-OE1 3.24Å; R159-E208 WeakPolarHBondContact CG-OE1 3.19Å; R159-E208 IonicContact CZ-OE1 2.75Å; R159-E208 IonicContact CZ-OE2 2.73Å; R159-E208 IonicContact NE-OE1 3.86Å; R159-E208 PolarHBondContact NE-OE1 2.79Å; R159-E208 IonicContact NE-OE2 3.57Å; R159-E208 PolarHBondContact NE-OE2 2.66Å; R159-E208 IonicContact NH2-OE1 2.56Å; R159-E208 PolarHBondContact NH2-OE1 2.79Å; R159-E208 IonicContact NH2-OE2 3.88Å; R159-E208 PolarHBondContact NH2-OE2 3.42Å; C206-E208 VanDerWaalsContact C-N 3.3Å; C206-E208 PolarHBondContact O-N 2.9Å; C206-E208 PolarHBondContact SG-N 3.27Å; E208-T210 PolarHBondContact O-N 3.07Å; E208-L211 PolarHBondContact O-N 2.85Å; E208-A352 HydrophobicContact CB-CB 3.99Å; E208-A352 HydrophobicContact CG-CB 3.5Å; E208-A352 VanDerWaalsContact CG-CB 3.5Å
209C96.7Very high92.9Very high6 Ų648.4 Ų48.44%0.04126%0.264CS..G310 helixtrans-59.3-34175.3-70.80000111.3A205 C206 I207 K347 C350A205-C209 HydrophobicContact CB-CB 3.8Å; C206-C209 WeakPolarHBondContact O-CB 3.4Å; C206-C209 PolarHBondContact O-N 2.85Å; I207-C209 VanDerWaalsContact C-N 3.33Å; I207-C209 PolarHBondContact O-N 2.81Å; C209-K347 WeakPolarHBondContact O-CE 3.32Å; C209-K347 PolarHBondContact O-NZ 3.3Å; C209-K347 VanDerWaalsContact O-NZ 3.09Å; C209-C350 VanDerWaalsContact SG-SG 3.67Å
210T95.2Very high92.3Very high8 Ų851 Ų515%0.04928%0.276CS..G310 helixtrans-107.614.6-174.956.90000113.4R197 C206 I207 E208 E212 L213 A344R197-T210 PolarHBondContact NH1-OG1 2.78Å; C206-T210 PolarHBondContact O-OG1 3.2Å; I207-T210 CarbonylContact O-C 3.59Å; I207-T210 PolarHBondContact O-N 2.79Å; I207-T210 PolarHBondContact O-OG1 2.89Å; E208-T210 PolarHBondContact O-N 3.07Å; T210-E212 PolarHBondContact O-N 3.02Å; T210-E212 VanDerWaalsContact O-N 3.14Å; T210-L213 HydrophobicContact CG2-CD1 4.04Å; T210-L213 VanDerWaalsContact O-CB 3.32Å; T210-L213 WeakPolarHBondContact O-CB 3.3Å; T210-L213 PolarHBondContact O-N 3.44Å; T210-A344 HydrophobicContact CG2-CB 3.73Å
211L93.2Very high91.9Very high3 Ų352 Ų522%0.01629%0.285CS..G310 helixtrans-58.7-30.6-176.4-170.767.5000113I155 R159 I207 E208 L213 Y214 Q382I155-L211 HydrophobicContact CG2-CD1 3.96Å; R159-L211 HydrophobicContact CG-CD1 4.17Å; I207-L211 PolarHBondContact O-N 3.28Å; I207-L211 VanDerWaalsContact O-N 3.14Å; E208-L211 PolarHBondContact O-N 2.85Å; L211-L213 PolarHBondContact O-N 2.89Å; L211-Y214 HydrophobicContact CD1-CD2 4Å; L211-Y214 HydrophobicContact CD1-CE2 4.06Å; L211-Y214 WeakPolarHBondContact O-CD2 3.3Å; L211-Y214 PolarHBondContact O-N 2.88Å; L211-Q382 HydrophobicContact CD2-CB 4.3Å; L211-Q382 HydrophobicContact CD2-CG 4.33Å
212E90.9Very high91.4Very high110 Ų11056.8 Ų56.851%0.51431%0.308SS..G310 helixtrans-72.1-12.9178.3-66.6165.9-12800113.7T210 Y214 K347T210-E212 PolarHBondContact O-N 3.02Å; T210-E212 VanDerWaalsContact O-N 3.14Å; E212-Y214 VanDerWaalsContact C-N 3.28Å; E212-K347 IonicContact OE1-NZ 3.95Å; E212-K347 PolarHBondContact OE1-NZ 3.19Å
213L92.4Very high91.1Very high96 Ų9660.6 Ų60.650%0.50333%0.333SS..G310 helixtrans-76.8-14.9176.5-60-174.1000112.8T210 L211 Y328 F342T210-L213 HydrophobicContact CG2-CD1 4.04Å; T210-L213 VanDerWaalsContact O-CB 3.32Å; T210-L213 WeakPolarHBondContact O-CB 3.3Å; T210-L213 PolarHBondContact O-N 3.44Å; L211-L213 PolarHBondContact O-N 2.89Å; L213-Y328 HydrophobicContact CD1-CE2 3.99Å; L213-F342 HydrophobicContact CD1-CZ 4.28Å
214Y90.8Very high91Very high48 Ų4856.2 Ų56.219%0.18831%0.313CS..SBendtrans-69.7140.2173.2-70.3-74.8000110.5I155 R158 R197 L211 E212I155-Y214 HydrophobicContact CD1-CD1 3.61Å; I155-Y214 HydrophobicContact CD1-CD2 4.07Å; I155-Y214 HydrophobicContact CD1-CE1 4.12Å; I155-Y214 HydrophobicContact CD1-CG 3.58Å; I155-Y214 HydrophobicContact CG1-CD1 3.77Å; I155-Y214 HydrophobicContact CG1-CD2 4.34Å; I155-Y214 HydrophobicContact CG1-CE1 3.73Å; I155-Y214 HydrophobicContact CG1-CE2 4.31Å; I155-Y214 HydrophobicContact CG1-CG 4.08Å; I155-Y214 HydrophobicContact CG2-CD2 4.14Å; I155-Y214 HydrophobicContact CG2-CE2 3.88Å; R158-Y214 WeakPolarHBondContact CD-OH 3.36Å; R197-Y214 PolarHBondContact NH2-OH 3.42Å; L211-Y214 HydrophobicContact CD1-CD2 4Å; L211-Y214 HydrophobicContact CD1-CE2 4.06Å; L211-Y214 WeakPolarHBondContact O-CD2 3.3Å; L211-Y214 PolarHBondContact O-N 2.88Å; E212-Y214 VanDerWaalsContact C-N 3.28Å
215P89Confident90.7Very high86 Ų8654.8 Ų54.856%0.55830%0.304SS*.PPolyproline II helixtrans-62.9149176.627.3-34.3000110.8Q217P215-Q217 PolarHBondContact O-N 3.01Å
216P84.6Confident90.4Very high122 Ų12256.5 Ų56.579%0.79232%0.318SS*.PPolyproline II helixtrans-59.8136.4175.825.5-33.8000110.4V218P216-V218 PolarHBondContact O-N 3.35Å
217Q80.7Confident90.1Very high107 Ų10760.2 Ų60.250%0.534%0.344SS..PPolyproline II helixtrans-67.8130.2176.7-64-172-10.800110.2P215 N219P215-Q217 PolarHBondContact O-N 3.01Å; Q217-N219 PolarHBondContact O-N 3.22Å
218V81.6Confident90Very high111 Ų11165.8 Ų65.867%0.67337%0.371SS*.  trans-71.5104.2174.1-177.20000108.6P216 F220P216-V218 PolarHBondContact O-N 3.35Å; V218-F220 HydrophobicContact CG1-CE1 4.03Å; V218-F220 HydrophobicContact CG1-CE2 4.49Å; V218-F220 HydrophobicContact CG1-CZ 3.99Å
219N83.9Confident90Very high111 Ų11165.9 Ų65.959%0.59437%0.373SS*.  trans-113.3119.3173.6-72-37.1000109.2Q217Q217-N219 PolarHBondContact O-N 3.22Å
220F86.4Confident89.9Confident56 Ų5673.5 Ų73.525%0.24640%0.401CS..  trans-79.8127.3176.6-62.5-61.8000110.3V218 I225 E233 H234 E237V218-F220 HydrophobicContact CG1-CE1 4.03Å; V218-F220 HydrophobicContact CG1-CE2 4.49Å; V218-F220 HydrophobicContact CG1-CZ 3.99Å; F220-I225 HydrophobicContact CB-CD1 3.79Å; F220-I225 HydrophobicContact CB-CG1 3.8Å; F220-I225 WeakPolarHBondContact O-CD1 3.13Å; F220-E233 HydrophobicContact CE2-CB 4.07Å; F220-E233 HydrophobicContact CZ-CB 3.86Å; F220-H234 AromaticContact CD1-CD2 3.51Å; F220-H234 AromaticContact CD1-NE2 3.42Å; F220-H234 WeakPolarHBondContact CD1-NE2 3.29Å; F220-H234 AromaticContact CE1-CD2 3.65Å; F220-H234 AromaticContact CE1-NE2 3.53Å; F220-H234 AromaticContact CG-CD2 3.98Å; F220-E237 HydrophobicContact CD2-CB 4.41Å; F220-E237 HydrophobicContact CD2-CG 4.19Å
221P89.5Confident90Very high71 Ų7177.2 Ų77.246%0.46142%0.42SS..  trans-61.6138.9177.7-24.334000112.4C223 T224 I225P221-C223 VanDerWaalsContact C-N 3.27Å; P221-C223 PolarHBondContact O-N 3.03Å; P221-T224 WeakPolarHBondContact O-CA 3.34Å; P221-T224 WeakPolarHBondContact O-CB 3.49Å; P221-T224 PolarHBondContact O-N 3.17Å; P221-I225 PolarHBondContact O-N 3.35Å; P221-I225 VanDerWaalsContact O-N 3.1Å
222M87.9Confident90.2Very high100 Ų10078 Ų7849%0.49343%0.425SS..Hα-helixtrans-56.9-36.6-178.8-74.3-58.2-64.600113.7T224 I225 A226 M241 L242M222-T224 VanDerWaalsContact C-N 3.3Å; M222-T224 PolarHBondContact O-N 3.38Å; M222-I225 PolarHBondContact O-N 3.18Å; M222-I225 HydrophobicContact SD-CD1 4.24Å; M222-A226 VanDerWaalsContact O-CB 3.29Å; M222-A226 WeakPolarHBondContact O-CB 3.47Å; M222-A226 PolarHBondContact O-N 3.03Å; M222-M241 HydrophobicContact SD-CE 4.14Å; M222-L242 HydrophobicContact CE-CD1 4.02Å; M222-L242 HydrophobicContact CE-CD2 3.83Å; M222-L242 HydrophobicContact CE-CG 4.18Å
223C89Confident90.5Very high86 Ų8675.4 Ų75.458%0.58141%0.413SS*.Hα-helixtrans-62.6-36.8175.658.10000112.4P221 S227 M228P221-C223 VanDerWaalsContact C-N 3.27Å; P221-C223 PolarHBondContact O-N 3.03Å; C223-S227 WeakPolarHBondContact O-CA 3.34Å; C223-S227 WeakPolarHBondContact O-CB 3.35Å; C223-S227 PolarHBondContact O-N 3.36Å; C223-M228 PolarHBondContact O-N 2.6Å
224T92.7Very high90.8Very high19 Ų1971.4 Ų71.412%0.11739%0.392CS..Hα-helixtrans-69.2-45.3176.3-570000110.9P221 M222 M228 P229 H234P221-T224 WeakPolarHBondContact O-CA 3.34Å; P221-T224 WeakPolarHBondContact O-CB 3.49Å; P221-T224 PolarHBondContact O-N 3.17Å; M222-T224 VanDerWaalsContact C-N 3.3Å; M222-T224 PolarHBondContact O-N 3.38Å; T224-M228 CarbonylContact O-C 3.59Å; T224-M228 PolarHBondContact O-N 3.38Å; T224-P229 WeakPolarHBondContact O-CA 3.3Å; T224-H234 WeakPolarHBondContact CG2-CE1 3.47Å; T224-H234 WeakPolarHBondContact CG2-ND1 3.39Å
225I91.9Very high91.1Very high0 Ų069.1 Ų69.10%038%0.383CS..Hα-helixtrans-63.9-48180-61.1174.2000111.1F220 P221 M222 E237 Y238 M241 L242F220-I225 HydrophobicContact CB-CD1 3.79Å; F220-I225 HydrophobicContact CB-CG1 3.8Å; F220-I225 WeakPolarHBondContact O-CD1 3.13Å; P221-I225 PolarHBondContact O-N 3.35Å; P221-I225 VanDerWaalsContact O-N 3.1Å; M222-I225 PolarHBondContact O-N 3.18Å; M222-I225 HydrophobicContact SD-CD1 4.24Å; I225-E237 HydrophobicContact CD1-CG 3.8Å; I225-E237 HydrophobicContact CG1-CG 4.49Å; I225-Y238 VanDerWaalsContact CG2-CA 3.42Å; I225-Y238 HydrophobicContact CG2-CD2 4.33Å; I225-M241 HydrophobicContact CD1-CE 3.21Å; I225-L242 HydrophobicContact CG2-CD1 4.39Å
226A91.2Very high91.5Very high37 Ų3765 Ų6531%0.30636%0.356SS..Hα-helixtrans-79.8-38-172.800000113.3M222 L242 R274M222-A226 VanDerWaalsContact O-CB 3.29Å; M222-A226 WeakPolarHBondContact O-CB 3.47Å; M222-A226 PolarHBondContact O-N 3.03Å; A226-L242 HydrophobicContact CB-CD1 4.15Å; A226-R274 PolarHBondContact O-NH2 2.93Å
227S92.4Very high92.1Very high79 Ų7959.8 Ų59.855%0.55232%0.321SS*.THydrogen-bonded Turntrans-122.4-31.4-164.5-52.40000114.8C223C223-S227 WeakPolarHBondContact O-CA 3.34Å; C223-S227 WeakPolarHBondContact O-CB 3.35Å; C223-S227 PolarHBondContact O-N 3.36Å
228M94.6Very high92.9Very high117 Ų11757 Ų5758%0.57631%0.306SS*.  trans-134.959.3-173.3-60179.173.900112.2C223 T224 R230C223-M228 PolarHBondContact O-N 2.6Å; T224-M228 CarbonylContact O-C 3.59Å; T224-M228 PolarHBondContact O-N 3.38Å; M228-R230 WeakPolarHBondContact O-CG 3.14Å
229P95.8Very high93.7Very high11 Ų1151.7 Ų51.77%0.07127%0.274CS..  trans-65148.7177.531.3-36.6000109.9T224 H234 Y278 I280T224-P229 WeakPolarHBondContact O-CA 3.3Å; P229-H234 HydrophobicContact CB-CB 3.84Å; P229-Y278 HydrophobicContact CG-CD1 3.52Å; P229-Y278 HydrophobicContact CG-CD2 3.64Å; P229-Y278 HydrophobicContact CG-CE1 3.72Å; P229-Y278 HydrophobicContact CG-CE2 3.87Å; P229-Y278 HydrophobicContact CG-CG 3.47Å; P229-Y278 VanDerWaalsContact CG-CG 3.47Å; P229-I280 HydrophobicContact CB-CD1 3.75Å; P229-I280 HydrophobicContact CG-CD1 4.08Å
230R95.3Very high94.3Very high166 Ų16649.1 Ų49.163%0.62626%0.256SS*.  trans-141.9-35.1-174.2-51.8-178.1-157.6172.23.7112M228 H234M228-R230 WeakPolarHBondContact O-CG 3.14Å; R230-H234 PolarHBondContact N-ND1 3.19Å; R230-H234 VanDerWaalsContact N-ND1 3.12Å
231L96.7Very high94.7Very high85 Ų8549.7 Ų49.745%0.44526%0.26SS..SBendtrans-106.5151.2177.1-57.2179.3000109.8E233 H234L231-E233 VanDerWaalsContact CB-OE2 3.29Å; L231-E233 WeakPolarHBondContact CB-OE2 3.33Å; L231-E233 PolarHBondContact O-N 3.07Å; L231-H234 PolarHBondContact N-ND1 3.32Å; L231-H234 WeakPolarHBondContact O-CB 3.17Å; L231-H234 PolarHBondContact O-N 3.21Å
232P97.7Very high94.9Very high20 Ų2049.2 Ų49.213%0.1325%0.253CS..Hα-helixtrans-58.4-30.1176.722.9-32.5000112.7H234 C235 I236 I280 V283 L287P232-H234 VanDerWaalsContact C-N 3.29Å; P232-H234 PolarHBondContact O-N 3.43Å; P232-C235 WeakPolarHBondContact O-CB 3.48Å; P232-C235 PolarHBondContact O-N 3.36Å; P232-I236 PolarHBondContact O-N 3.33Å; P232-I280 HydrophobicContact CB-CG2 4.24Å; P232-V283 HydrophobicContact CB-CB 4.47Å; P232-V283 HydrophobicContact CB-CG2 3.61Å; P232-L287 HydrophobicContact CB-CD2 3.71Å; P232-L287 HydrophobicContact CG-CD2 3.65Å
233E97.3Very high95.4Very high55 Ų5545.5 Ų45.526%0.25724%0.235SC..Hα-helixtrans-59.9-37.4173.6-63.884.5168.600112F220 L231 C235 I236 E237 L287 V291F220-E233 HydrophobicContact CE2-CB 4.07Å; F220-E233 HydrophobicContact CZ-CB 3.86Å; L231-E233 VanDerWaalsContact CB-OE2 3.29Å; L231-E233 WeakPolarHBondContact CB-OE2 3.33Å; L231-E233 PolarHBondContact O-N 3.07Å; E233-C235 VanDerWaalsContact C-N 3.27Å; E233-C235 PolarHBondContact O-N 3.29Å; E233-I236 PolarHBondContact O-N 3.02Å; E233-E237 VanDerWaalsContact O-CB 3.29Å; E233-E237 WeakPolarHBondContact O-CB 3.42Å; E233-E237 PolarHBondContact O-N 3.37Å; E233-L287 HydrophobicContact CG-CD1 4.1Å; E233-L287 HydrophobicContact CG-CD2 4.45Å; E233-V291 HydrophobicContact CB-CG2 4.02Å; E233-V291 HydrophobicContact CG-CG2 3.73Å
234H97.5Very high95.8Very high13 Ų1341.9 Ų41.96%0.0621%0.209CC..Hα-helixtrans-64.3-35.4178.2-57.6171.9000111.4F220 T224 P229 R230 L231 P232 Y238F220-H234 AromaticContact CD1-CD2 3.51Å; F220-H234 AromaticContact CD1-NE2 3.42Å; F220-H234 WeakPolarHBondContact CD1-NE2 3.29Å; F220-H234 AromaticContact CE1-CD2 3.65Å; F220-H234 AromaticContact CE1-NE2 3.53Å; F220-H234 AromaticContact CG-CD2 3.98Å; T224-H234 WeakPolarHBondContact CG2-CE1 3.47Å; T224-H234 WeakPolarHBondContact CG2-ND1 3.39Å; P229-H234 HydrophobicContact CB-CB 3.84Å; R230-H234 PolarHBondContact N-ND1 3.19Å; R230-H234 VanDerWaalsContact N-ND1 3.12Å; L231-H234 PolarHBondContact N-ND1 3.32Å; L231-H234 WeakPolarHBondContact O-CB 3.17Å; L231-H234 PolarHBondContact O-N 3.21Å; P232-H234 VanDerWaalsContact C-N 3.29Å; P232-H234 PolarHBondContact O-N 3.43Å; H234-Y238 WeakPolarHBondContact O-CB 3.45Å; H234-Y238 PolarHBondContact O-N 3.05Å
235C97.9Very high95.9Very high0 Ų044.6 Ų44.60%023%0.227CC..Hα-helixtrans-68.1-44176.8-59.10000111P232 E233 Y238 V239 R274 A275P232-C235 WeakPolarHBondContact O-CB 3.48Å; P232-C235 PolarHBondContact O-N 3.36Å; E233-C235 VanDerWaalsContact C-N 3.27Å; E233-C235 PolarHBondContact O-N 3.29Å; C235-Y238 WeakPolarHBondContact O-CB 3.15Å; C235-Y238 PolarHBondContact O-N 2.79Å; C235-V239 WeakPolarHBondContact O-CG2 3.24Å; C235-V239 PolarHBondContact O-N 2.97Å; C235-R274 HydrophobicContact CB-CB 4.39Å; C235-R274 HydrophobicContact CB-CG 4.14Å; C235-A275 HydrophobicContact CB-CB 4.17Å
236I98.1Very high96.1Very high0 Ų052.9 Ų52.90%026%0.263CS..Hα-helixtrans-64.9-44.9177.8-62.8155.9000110.8P232 E233 Y238 V239 R240 I267 S271 V283 L287 T288 V291 V292P232-I236 PolarHBondContact O-N 3.33Å; E233-I236 PolarHBondContact O-N 3.02Å; I236-Y238 VanDerWaalsContact C-N 3.29Å; I236-Y238 PolarHBondContact O-N 2.98Å; I236-V239 PolarHBondContact O-N 3.16Å; I236-V239 VanDerWaalsContact O-N 3.12Å; I236-R240 WeakPolarHBondContact O-CB 3.08Å; I236-R240 PolarHBondContact O-N 2.93Å; I236-I267 HydrophobicContact CG2-CG2 4.08Å; I236-S271 WeakPolarHBondContact CA-OG 3.11Å; I236-V283 HydrophobicContact CG1-CG1 4.45Å; I236-L287 HydrophobicContact CD1-CB 4.31Å; I236-L287 HydrophobicContact CD1-CD2 3.98Å; I236-L287 HydrophobicContact CD1-CG 3.76Å; I236-T288 HydrophobicContact CG2-CG2 4.08Å; I236-V291 HydrophobicContact CB-CB 4.28Å; I236-V291 HydrophobicContact CB-CG1 4.11Å; I236-V291 HydrophobicContact CB-CG2 4.48Å; I236-V291 HydrophobicContact CD1-CG2 4.12Å; I236-V291 HydrophobicContact CG2-CB 3.73Å; I236-V291 HydrophobicContact CG2-CG1 3.68Å; I236-V291 HydrophobicContact CG2-CG2 4.41Å; I236-V292 HydrophobicContact CG2-CG2 4.2Å
237E96.7Very high96.4Very high11 Ų1155.7 Ų55.75%0.05127%0.27CS..Hα-helixtrans-65.5-33.9-179.2-165.871.416900111.9F220 I225 E233 R240 M241 V291F220-E237 HydrophobicContact CD2-CB 4.41Å; F220-E237 HydrophobicContact CD2-CG 4.19Å; I225-E237 HydrophobicContact CD1-CG 3.8Å; I225-E237 HydrophobicContact CG1-CG 4.49Å; E233-E237 VanDerWaalsContact O-CB 3.29Å; E233-E237 WeakPolarHBondContact O-CB 3.42Å; E233-E237 PolarHBondContact O-N 3.37Å; E237-R240 IonicContact OE1-NH1 3.78Å; E237-R240 PolarHBondContact OE1-NH1 2.86Å; E237-R240 IonicContact OE2-CZ 3.42Å; E237-R240 IonicContact OE2-NH1 3.36Å; E237-R240 PolarHBondContact OE2-NH1 3.27Å; E237-M241 HydrophobicContact CG-CE 3.53Å; E237-M241 HydrophobicContact CG-CG 4.2Å; E237-M241 HydrophobicContact CG-SD 4.34Å; E237-M241 WeakPolarHBondContact O-CB 3.41Å; E237-M241 WeakPolarHBondContact O-CG 3.23Å; E237-M241 PolarHBondContact O-N 3.35Å; E237-V291 HydrophobicContact CB-CG1 4.43Å; E237-V291 WeakPolarHBondContact OE2-CG1 3.43Å
238Y97.9Very high96.5Very high49 Ų4955.4 Ų55.419%0.19226%0.26CS..Hα-helixtrans-59.9-48.6170.6171.6-89.8000111.6I225 H234 C235 I236 L242 Q243 R274I225-Y238 VanDerWaalsContact CG2-CA 3.42Å; I225-Y238 HydrophobicContact CG2-CD2 4.33Å; H234-Y238 WeakPolarHBondContact O-CB 3.45Å; H234-Y238 PolarHBondContact O-N 3.05Å; C235-Y238 WeakPolarHBondContact O-CB 3.15Å; C235-Y238 PolarHBondContact O-N 2.79Å; I236-Y238 VanDerWaalsContact C-N 3.29Å; I236-Y238 PolarHBondContact O-N 2.98Å; Y238-L242 HydrophobicContact CD2-CB 4.28Å; Y238-L242 HydrophobicContact CD2-CD1 3.75Å; Y238-L242 HydrophobicContact CE2-CB 4.22Å; Y238-L242 HydrophobicContact CE2-CD1 3.91Å; Y238-L242 WeakPolarHBondContact O-CA 3.24Å; Y238-L242 WeakPolarHBondContact O-CB 3.43Å; Y238-L242 PolarHBondContact O-N 3.16Å; Y238-Q243 HydrophobicContact CD1-CB 4.43Å; Y238-Q243 HydrophobicContact CE1-CB 4.01Å; Y238-Q243 HydrophobicContact CE1-CG 4.5Å; Y238-Q243 PolarHBondContact O-N 2.94Å; Y238-Q243 VanDerWaalsContact O-N 3.09Å; Y238-R274 HydrophobicContact CD1-CG 4.06Å
239V97.7Very high96.6Very high0 Ų051.8 Ų51.80%025%0.245CC..Iπ-helixtrans-63.8-46.2-178.2175.60000110.2C235 I236 Q243 W244 W266 I267 K270C235-V239 WeakPolarHBondContact O-CG2 3.24Å; C235-V239 PolarHBondContact O-N 2.97Å; I236-V239 PolarHBondContact O-N 3.16Å; I236-V239 VanDerWaalsContact O-N 3.12Å; V239-Q243 HydrophobicContact CG1-CB 4.5Å; V239-Q243 PolarHBondContact O-N 2.89Å; V239-W244 WeakPolarHBondContact O-CB 3.47Å; V239-W244 PolarHBondContact O-N 2.89Å; V239-W266 HydrophobicContact CG1-CE3 4.24Å; V239-W266 HydrophobicContact CG1-CH2 4.37Å; V239-W266 HydrophobicContact CG1-CZ3 3.61Å; V239-I267 HydrophobicContact CB-CG2 4.21Å; V239-I267 HydrophobicContact CG1-CB 4.15Å; V239-I267 HydrophobicContact CG1-CG1 4.11Å; V239-I267 HydrophobicContact CG1-CG2 3.86Å; V239-K270 HydrophobicContact CB-CB 4.43Å; V239-K270 HydrophobicContact CG1-CB 3.66Å; V239-K270 HydrophobicContact CG1-CG 4.49Å; V239-K270 HydrophobicContact CG2-CB 3.8Å
240R95.9Very high96.7Very high57 Ų5754.8 Ų54.822%0.21526%0.257CS..Iπ-helixtrans-62.4-49.8178.7166.3170.5167.9-81.2-13.6113I236 E237 L256 I267I236-R240 WeakPolarHBondContact O-CB 3.08Å; I236-R240 PolarHBondContact O-N 2.93Å; E237-R240 IonicContact OE1-NH1 3.78Å; E237-R240 PolarHBondContact OE1-NH1 2.86Å; E237-R240 IonicContact OE2-CZ 3.42Å; E237-R240 IonicContact OE2-NH1 3.36Å; E237-R240 PolarHBondContact OE2-NH1 3.27Å; R240-L256 HydrophobicContact CB-CD2 4.29Å; R240-L256 HydrophobicContact CG-CD2 3.69Å; R240-I267 HydrophobicContact CB-CD1 4.44Å
241M94.2Very high96.6Very high67 Ų6748.5 Ų48.533%0.3324%0.244SC..Iπ-helixtrans-90.3-29.4-169.7-65.9-151.6-67.300114.4M222 I225 E237 P245M222-M241 HydrophobicContact SD-CE 4.14Å; I225-M241 HydrophobicContact CD1-CE 3.21Å; E237-M241 HydrophobicContact CG-CE 3.53Å; E237-M241 HydrophobicContact CG-CG 4.2Å; E237-M241 HydrophobicContact CG-SD 4.34Å; E237-M241 WeakPolarHBondContact O-CB 3.41Å; E237-M241 WeakPolarHBondContact O-CG 3.23Å; E237-M241 PolarHBondContact O-N 3.35Å; M241-P245 WeakPolarHBondContact O-CG 3.46Å
242L95.3Very high96.5Very high61 Ų6152.7 Ų52.732%0.31926%0.261SS..Iπ-helixtrans-114.7-49.2-173.9-68175.7000112.3M222 I225 A226 Y238 K246M222-L242 HydrophobicContact CE-CD1 4.02Å; M222-L242 HydrophobicContact CE-CD2 3.83Å; M222-L242 HydrophobicContact CE-CG 4.18Å; I225-L242 HydrophobicContact CG2-CD1 4.39Å; A226-L242 HydrophobicContact CB-CD1 4.15Å; Y238-L242 HydrophobicContact CD2-CB 4.28Å; Y238-L242 HydrophobicContact CD2-CD1 3.75Å; Y238-L242 HydrophobicContact CE2-CB 4.22Å; Y238-L242 HydrophobicContact CE2-CD1 3.91Å; Y238-L242 WeakPolarHBondContact O-CA 3.24Å; Y238-L242 WeakPolarHBondContact O-CB 3.43Å; Y238-L242 PolarHBondContact O-N 3.16Å; L242-K246 VanDerWaalsContact O-CB 3.3Å; L242-K246 WeakPolarHBondContact O-CB 3.41Å; L242-K246 PolarHBondContact O-N 2.85Å
243Q96.9Very high96.3Very high22 Ų2254.7 Ų54.710%0.10329%0.286CS..Iπ-helixtrans-74.1-42.1-173.7-162171.9-9.400112.1Y238 V239 K246 E247 W266Y238-Q243 HydrophobicContact CD1-CB 4.43Å; Y238-Q243 HydrophobicContact CE1-CB 4.01Å; Y238-Q243 HydrophobicContact CE1-CG 4.5Å; Y238-Q243 PolarHBondContact O-N 2.94Å; Y238-Q243 VanDerWaalsContact O-N 3.09Å; V239-Q243 HydrophobicContact CG1-CB 4.5Å; V239-Q243 PolarHBondContact O-N 2.89Å; Q243-K246 PolarHBondContact O-N 3.35Å; Q243-E247 HydrophobicContact CG-CG 4.19Å; Q243-E247 WeakPolarHBondContact CG-OE1 3.22Å; Q243-E247 PolarHBondContact NE2-OE1 3.47Å; Q243-E247 WeakPolarHBondContact O-CB 3.38Å; Q243-E247 PolarHBondContact O-N 3.01Å; Q243-W266 HydrophobicContact CG-CH2 4.27Å
244W97.7Very high96.2Very high11 Ų1154.9 Ų54.94%0.04229%0.29CS..Hα-helixtrans-59.6-53.7179.1177.3-71.2000112.6V239 K246 E247 Q248 P249 F250 L256 H263 W266 I267V239-W244 WeakPolarHBondContact O-CB 3.47Å; V239-W244 PolarHBondContact O-N 2.89Å; W244-K246 PolarHBondContact O-N 2.98Å; W244-K246 VanDerWaalsContact O-N 3.16Å; W244-E247 PolarHBondContact O-N 3.13Å; W244-Q248 PolarHBondContact O-N 3.44Å; W244-P249 HydrophobicContact CD2-CG 3.89Å; W244-P249 HydrophobicContact CE3-CG 3.57Å; W244-P249 HydrophobicContact CH2-CG 3.92Å; W244-P249 HydrophobicContact CZ2-CG 4.23Å; W244-P249 HydrophobicContact CZ3-CG 3.58Å; W244-F250 AromaticContact CH2-CD2 3.45Å; W244-F250 HydrophobicContact CH2-CD2 3.45Å; W244-F250 VanDerWaalsContact CH2-CD2 3.45Å; W244-F250 AromaticContact CH2-CE2 3.78Å; W244-F250 HydrophobicContact CH2-CE2 3.78Å; W244-F250 HydrophobicContact CZ2-CD2 4.21Å; W244-F250 HydrophobicContact CZ3-CD2 4.02Å; W244-F250 AromaticContact CZ3-CE2 3.96Å; W244-F250 HydrophobicContact CZ3-CE2 3.96Å; W244-L256 HydrophobicContact CD2-CB 3.98Å; W244-L256 HydrophobicContact CD2-CD1 4.1Å; W244-L256 HydrophobicContact CD2-CG 4.49Å; W244-L256 HydrophobicContact CE3-CD1 3.86Å; W244-L256 HydrophobicContact CG-CB 4.26Å; W244-L256 HydrophobicContact CH2-CD1 3.86Å; W244-L256 HydrophobicContact CZ2-CB 4.07Å; W244-L256 HydrophobicContact CZ2-CD1 4.09Å; W244-L256 HydrophobicContact CZ3-CD1 3.73Å; W244-H263 HydrophobicContact CH2-CB 3.79Å; W244-H263 AromaticContact CH2-CD2 3.6Å; W244-H263 AromaticContact CH2-CE1 3.87Å; W244-H263 AromaticContact CH2-CG 3.41Å; W244-H263 VanDerWaalsContact CH2-CG 3.41Å; W244-H263 AromaticContact CH2-ND1 3.61Å; W244-H263 AromaticContact CH2-NE2 3.83Å; W244-H263 AromaticContact CZ2-CE1 3.98Å; W244-H263 AromaticContact CZ2-ND1 3.97Å; W244-H263 HydrophobicContact CZ3-CB 4.06Å; W244-W266 HydrophobicContact CB-CZ3 4.32Å; W244-W266 AromaticContact CE3-CE3 3.63Å; W244-W266 HydrophobicContact CE3-CE3 3.63Å; W244-W266 AromaticContact CE3-CZ3 3.71Å; W244-W266 HydrophobicContact CE3-CZ3 3.71Å; W244-W266 HydrophobicContact CZ3-CD2 4.47Å; W244-W266 AromaticContact CZ3-CE3 3.89Å; W244-W266 HydrophobicContact CZ3-CE3 3.89Å; W244-W266 HydrophobicContact CZ3-CZ3 4.42Å; W244-I267 HydrophobicContact CE3-CD1 4.18Å; W244-I267 HydrophobicContact CE3-CG1 3.99Å; W244-I267 HydrophobicContact CZ3-CG1 4.28Å
245P95.7Very high96.2Very high76 Ų7659 Ų5949%0.49432%0.318SS..Hα-helixtrans-63.1-24.3178.7-23.936.4000113.5M241M241-P245 WeakPolarHBondContact O-CG 3.46Å
246K96.1Very high96.1Very high173 Ų17361.1 Ų61.175%0.75233%0.33SS*.Hα-helixtrans-81.5-41.8179.8-175.6-178.3178.4-1750113.2L242 Q243 W244L242-K246 VanDerWaalsContact O-CB 3.3Å; L242-K246 WeakPolarHBondContact O-CB 3.41Å; L242-K246 PolarHBondContact O-N 2.85Å; Q243-K246 PolarHBondContact O-N 3.35Å; W244-K246 PolarHBondContact O-N 2.98Å; W244-K246 VanDerWaalsContact O-N 3.16Å
247E96.6Very high95.9Very high97 Ų9764.7 Ų64.745%0.45335%0.349SS..Hα-helixtrans-94.4-20.9-174.8-69.4-178.1-159.700113.1Q243 W244 W266Q243-E247 HydrophobicContact CG-CG 4.19Å; Q243-E247 WeakPolarHBondContact CG-OE1 3.22Å; Q243-E247 PolarHBondContact NE2-OE1 3.47Å; Q243-E247 WeakPolarHBondContact O-CB 3.38Å; Q243-E247 PolarHBondContact O-N 3.01Å; W244-E247 PolarHBondContact O-N 3.13Å; E247-W266 HydrophobicContact CB-CZ2 4.47Å; E247-W266 WeakPolarHBondContact OE2-CZ2 3.47Å
248Q95.7Very high95.8Very high73 Ų7364.9 Ų64.934%0.34135%0.354SS..  trans45.259.4178.4-61.9-178.5-30.200112.7W244 F250 G251W244-Q248 PolarHBondContact O-N 3.44Å; Q248-F250 PolarHBondContact O-N 3.42Å; Q248-G251 PolarHBondContact O-N 2.93Å
249P96Very high95.5Very high41 Ų4167.1 Ų67.127%0.26637%0.369SS..THydrogen-bonded Turntrans-62.7-21.6-161.420.2-31.2000115.8W244 W266W244-P249 HydrophobicContact CD2-CG 3.89Å; W244-P249 HydrophobicContact CE3-CG 3.57Å; W244-P249 HydrophobicContact CH2-CG 3.92Å; W244-P249 HydrophobicContact CZ2-CG 4.23Å; W244-P249 HydrophobicContact CZ3-CG 3.58Å; P249-W266 HydrophobicContact CB-CD2 3.85Å; P249-W266 HydrophobicContact CB-CE3 4.48Å; P249-W266 HydrophobicContact CB-CG 4.19Å; P249-W266 HydrophobicContact CB-CH2 4.33Å; P249-W266 HydrophobicContact CB-CZ2 3.66Å; P249-W266 HydrophobicContact CG-CD2 3.77Å; P249-W266 HydrophobicContact CG-CE3 3.91Å; P249-W266 HydrophobicContact CG-CG 4.41Å; P249-W266 HydrophobicContact CG-CH2 3.89Å; P249-W266 HydrophobicContact CG-CZ2 3.74Å; P249-W266 HydrophobicContact CG-CZ3 3.98Å
250F97Very high95.4Very high74 Ų7469.2 Ų69.233%0.32538%0.38SS..THydrogen-bonded Turntrans-113.516-179.1-65.8-97000112.7W244 Q248 V254 E262 H263 W266W244-F250 AromaticContact CH2-CD2 3.45Å; W244-F250 HydrophobicContact CH2-CD2 3.45Å; W244-F250 VanDerWaalsContact CH2-CD2 3.45Å; W244-F250 AromaticContact CH2-CE2 3.78Å; W244-F250 HydrophobicContact CH2-CE2 3.78Å; W244-F250 HydrophobicContact CZ2-CD2 4.21Å; W244-F250 HydrophobicContact CZ3-CD2 4.02Å; W244-F250 AromaticContact CZ3-CE2 3.96Å; W244-F250 HydrophobicContact CZ3-CE2 3.96Å; Q248-F250 PolarHBondContact O-N 3.42Å; F250-V254 HydrophobicContact CB-CG1 4.29Å; F250-V254 WeakPolarHBondContact O-CG2 3.43Å; F250-E262 HydrophobicContact CE1-CB 3.92Å; F250-E262 HydrophobicContact CZ-CB 4.01Å; F250-H263 AromaticContact CD1-CD2 3.9Å; F250-H263 AromaticContact CD1-NE2 3.99Å; F250-H263 AromaticContact CD2-CD2 3.47Å; F250-H263 VanDerWaalsContact CD2-CD2 3.47Å; F250-H263 WeakPolarHBondContact CD2-CD2 3.45Å; F250-H263 AromaticContact CD2-NE2 3.71Å; F250-H263 AromaticContact CE1-CD2 3.92Å; F250-H263 AromaticContact CE2-CD2 3.53Å; F250-H263 AromaticContact CG-CD2 3.68Å; F250-H263 AromaticContact CG-NE2 3.58Å; F250-H263 AromaticContact CZ-CD2 3.76Å; F250-W266 HydrophobicContact CE2-CB 3.89Å; F250-W266 HydrophobicContact CE2-CG 4.12Å; F250-W266 HydrophobicContact CZ-CB 4.15Å
251G94.8Very high95.3Very high34 Ų3470.7 Ų70.735%0.35140%0.397SS..SBendtrans118.1154.1178.300000113.4Q248 G253 V254Q248-G251 PolarHBondContact O-N 2.93Å; G251-G253 PolarHBondContact O-N 2.63Å; G251-V254 PolarHBondContact O-N 3.21Å
252E94.8Very high95.5Very high172 Ų17273.7 Ų73.780%0.80441%0.41SS*.THydrogen-bonded Turntrans-61.7128.4-179.3-178171.9-170.300111.2V254E252-V254 VanDerWaalsContact C-N 3.28Å; E252-V254 PolarHBondContact O-N 2.81Å
253G93.2Very high95.6Very high63 Ų6371.3 Ų71.365%0.64940%0.397SS*.THydrogen-bonded Turntrans80.3-4.1179.800000115.6G251 P255G251-G253 PolarHBondContact O-N 2.63Å; G253-P255 VanDerWaalsContact O-CD 3.3Å; G253-P255 WeakPolarHBondContact O-CD 3.48Å
254V95.6Very high95.7Very high58 Ų5870.3 Ų70.335%0.35239%0.393SS..  trans-71.6115.6176.3-179.40000109.7F250 G251 E252F250-V254 HydrophobicContact CB-CG1 4.29Å; F250-V254 WeakPolarHBondContact O-CG2 3.43Å; G251-V254 PolarHBondContact O-N 3.21Å; E252-V254 VanDerWaalsContact C-N 3.28Å; E252-V254 PolarHBondContact O-N 2.81Å
255P95.5Very high95.7Very high100 Ų10074 Ų7465%0.64941%0.41SS*.  trans-70.4156.5179.430.5-34.5000110.8G253 D257G253-P255 VanDerWaalsContact O-CD 3.3Å; G253-P255 WeakPolarHBondContact O-CD 3.48Å; P255-D257 PolarHBondContact O-N 3.43Å
256L96.6Very high95.8Very high45 Ų4572.7 Ų72.724%0.23640%0.396CS..  trans-66.4108.6169.8172.157.7000109.7R240 W244 H263 I267 V292R240-L256 HydrophobicContact CB-CD2 4.29Å; R240-L256 HydrophobicContact CG-CD2 3.69Å; W244-L256 HydrophobicContact CD2-CB 3.98Å; W244-L256 HydrophobicContact CD2-CD1 4.1Å; W244-L256 HydrophobicContact CD2-CG 4.49Å; W244-L256 HydrophobicContact CE3-CD1 3.86Å; W244-L256 HydrophobicContact CG-CB 4.26Å; W244-L256 HydrophobicContact CH2-CD1 3.86Å; W244-L256 HydrophobicContact CZ2-CB 4.07Å; W244-L256 HydrophobicContact CZ2-CD1 4.09Å; W244-L256 HydrophobicContact CZ3-CD1 3.73Å; L256-H263 HydrophobicContact CD1-CB 3.99Å; L256-I267 HydrophobicContact CD1-CD1 3.42Å; L256-I267 VanDerWaalsContact CD1-CD1 3.42Å; L256-I267 HydrophobicContact CD1-CG1 4.41Å; L256-I267 HydrophobicContact CD2-CD1 3.49Å; L256-I267 VanDerWaalsContact CD2-CD1 3.49Å; L256-I267 HydrophobicContact CG-CD1 4.09Å; L256-V292 HydrophobicContact CD2-CG1 4Å; L256-V292 HydrophobicContact CG-CG1 4.45Å
257D94.9Very high95.9Very high75 Ų7564.5 Ų64.540%0.40136%0.36SS..  trans-83.8119.6164-171.1-6.3000110.2P255 D259 D260 H263P255-D257 PolarHBondContact O-N 3.43Å; D257-D259 VanDerWaalsContact C-N 3.3Å; D257-D259 PolarHBondContact OD1-N 3.38Å; D257-D260 HydrophobicContact CB-CB 3.83Å; D257-H263 WeakPolarHBondContact CB-ND1 2.99Å; D257-H263 PolarHBondContact N-ND1 3.41Å; D257-H263 WeakPolarHBondContact O-CB 3.35Å; D257-H263 PolarHBondContact O-ND1 2.84Å
258G93.8Very high96Very high15 Ų1561.5 Ų61.516%0.15535%0.346CS..SBendtrans-78.1-14.8177.800000113.7I264 K293G258-I264 WeakPolarHBondContact O-CD1 3.43Å; G258-I264 WeakPolarHBondContact O-CG1 3.35Å; G258-K293 VanDerWaalsContact O-CD 3.31Å; G258-K293 WeakPolarHBondContact O-CD 3.31Å; G258-K293 WeakPolarHBondContact O-CG 3.42Å
259D91.4Very high96.2Very high95 Ų9562.4 Ų62.451%0.50835%0.35SS..SBendtrans-94.8-15178.1-69.6-58.4000112.8D257 P261 K293D257-D259 VanDerWaalsContact C-N 3.3Å; D257-D259 PolarHBondContact OD1-N 3.38Å; D259-P261 VanDerWaalsContact O-CD 3.27Å; D259-P261 WeakPolarHBondContact O-CD 3.32Å; D259-K293 VanDerWaalsContact OD1-CE 3.23Å; D259-K293 WeakPolarHBondContact OD1-CE 3.48Å; D259-K293 IonicContact OD1-NZ 2.85Å; D259-K293 PolarHBondContact OD1-NZ 3.38Å
260D94.9Very high96.3Very high45 Ų4562.6 Ų62.624%0.24135%0.346CS..  trans-73.2116.4173.9-174-46.7000111.1D257 E262 H263 I264D257-D260 HydrophobicContact CB-CB 3.83Å; D260-E262 VanDerWaalsContact C-N 3.29Å; D260-E262 PolarHBondContact O-N 3.45Å; D260-E262 WeakPolarHBondContact OD1-CA 3.2Å; D260-E262 VanDerWaalsContact OD1-CB 3.28Å; D260-E262 WeakPolarHBondContact OD1-CB 3.42Å; D260-E262 PolarHBondContact OD1-N 2.82Å; D260-H263 HydrophobicContact CB-CB 3.9Å; D260-H263 PolarHBondContact O-N 3.38Å; D260-H263 IonicContact OD1-CD2 3.9Å; D260-H263 IonicContact OD1-CG 3.16Å; D260-H263 PolarHBondContact OD1-N 3.04Å; D260-H263 VanDerWaalsContact OD1-N 3.09Å; D260-H263 IonicContact OD2-CD2 2.89Å; D260-H263 IonicContact OD2-NE2 2.79Å; D260-I264 WeakPolarHBondContact O-CG1 3.47Å; D260-I264 PolarHBondContact O-N 3.02Å; D260-I264 VanDerWaalsContact O-N 3.11Å
261P95.3Very high96.3Very high87 Ų8759 Ų5957%0.56533%0.331SS*.Hα-helixtrans-62-32.1-179.6-2435.7000114.2D259 Q265D259-P261 VanDerWaalsContact O-CD 3.27Å; D259-P261 WeakPolarHBondContact O-CD 3.32Å; P261-Q265 WeakPolarHBondContact O-CB 3.42Å; P261-Q265 PolarHBondContact O-N 2.82Å
262E97.4Very high96.5Very high130 Ų13060.5 Ų60.561%0.60733%0.33SS*.Hα-helixtrans-72-41.9179.1-58.7-170.9-176.100110.8F250 D260 Q265 W266F250-E262 HydrophobicContact CE1-CB 3.92Å; F250-E262 HydrophobicContact CZ-CB 4.01Å; D260-E262 VanDerWaalsContact C-N 3.29Å; D260-E262 PolarHBondContact O-N 3.45Å; D260-E262 WeakPolarHBondContact OD1-CA 3.2Å; D260-E262 VanDerWaalsContact OD1-CB 3.28Å; D260-E262 WeakPolarHBondContact OD1-CB 3.42Å; D260-E262 PolarHBondContact OD1-N 2.82Å; E262-Q265 PolarHBondContact O-N 2.86Å; E262-W266 WeakPolarHBondContact O-CB 3.5Å; E262-W266 PolarHBondContact O-N 3.29Å
263H98.1Very high96.7Very high11 Ų1156 Ų565%0.05131%0.309CS..Hα-helixtrans-59.3-48.7173.9-71-169.9000111.5W244 F250 L256 D257 D260 Q265 W266 I267W244-H263 HydrophobicContact CH2-CB 3.79Å; W244-H263 AromaticContact CH2-CD2 3.6Å; W244-H263 AromaticContact CH2-CE1 3.87Å; W244-H263 AromaticContact CH2-CG 3.41Å; W244-H263 VanDerWaalsContact CH2-CG 3.41Å; W244-H263 AromaticContact CH2-ND1 3.61Å; W244-H263 AromaticContact CH2-NE2 3.83Å; W244-H263 AromaticContact CZ2-CE1 3.98Å; W244-H263 AromaticContact CZ2-ND1 3.97Å; W244-H263 HydrophobicContact CZ3-CB 4.06Å; F250-H263 AromaticContact CD1-CD2 3.9Å; F250-H263 AromaticContact CD1-NE2 3.99Å; F250-H263 AromaticContact CD2-CD2 3.47Å; F250-H263 VanDerWaalsContact CD2-CD2 3.47Å; F250-H263 WeakPolarHBondContact CD2-CD2 3.45Å; F250-H263 AromaticContact CD2-NE2 3.71Å; F250-H263 AromaticContact CE1-CD2 3.92Å; F250-H263 AromaticContact CE2-CD2 3.53Å; F250-H263 AromaticContact CG-CD2 3.68Å; F250-H263 AromaticContact CG-NE2 3.58Å; F250-H263 AromaticContact CZ-CD2 3.76Å; L256-H263 HydrophobicContact CD1-CB 3.99Å; D257-H263 WeakPolarHBondContact CB-ND1 2.99Å; D257-H263 PolarHBondContact N-ND1 3.41Å; D257-H263 WeakPolarHBondContact O-CB 3.35Å; D257-H263 PolarHBondContact O-ND1 2.84Å; D260-H263 HydrophobicContact CB-CB 3.9Å; D260-H263 PolarHBondContact O-N 3.38Å; D260-H263 IonicContact OD1-CD2 3.9Å; D260-H263 IonicContact OD1-CG 3.16Å; D260-H263 PolarHBondContact OD1-N 3.04Å; D260-H263 VanDerWaalsContact OD1-N 3.09Å; D260-H263 IonicContact OD2-CD2 2.89Å; D260-H263 IonicContact OD2-NE2 2.79Å; H263-Q265 VanDerWaalsContact C-N 3.33Å; H263-Q265 PolarHBondContact O-N 3.25Å; H263-W266 PolarHBondContact O-N 2.71Å; H263-I267 WeakPolarHBondContact O-CG1 3.39Å; H263-I267 PolarHBondContact O-N 2.97Å
264I97.9Very high96.9Very high1 Ų154.1 Ų54.11%0.00528%0.282CS..Hα-helixtrans-62.8-40.9177-64.7-57.6000111.2G258 D260 W266 I267 F268 Y285 T288 Q289 V292G258-I264 WeakPolarHBondContact O-CD1 3.43Å; G258-I264 WeakPolarHBondContact O-CG1 3.35Å; D260-I264 WeakPolarHBondContact O-CG1 3.47Å; D260-I264 PolarHBondContact O-N 3.02Å; D260-I264 VanDerWaalsContact O-N 3.11Å; I264-W266 VanDerWaalsContact C-N 3.32Å; I264-W266 PolarHBondContact O-N 3.39Å; I264-I267 PolarHBondContact O-N 3.44Å; I264-F268 VanDerWaalsContact O-CB 3.31Å; I264-F268 WeakPolarHBondContact O-CB 3.21Å; I264-F268 PolarHBondContact O-N 3.28Å; I264-Y285 HydrophobicContact CB-CE2 4.36Å; I264-Y285 HydrophobicContact CG2-CD2 4.21Å; I264-Y285 HydrophobicContact CG2-CE1 4.25Å; I264-Y285 HydrophobicContact CG2-CE2 3.55Å; I264-T288 HydrophobicContact CG2-CG2 4.28Å; I264-Q289 HydrophobicContact CG2-CG 3.54Å; I264-V292 HydrophobicContact CD1-CB 3.86Å; I264-V292 HydrophobicContact CD1-CG1 3.6Å; I264-V292 HydrophobicContact CD1-CG2 4.1Å
265Q98.3Very high97Very high89 Ų8951.4 Ų51.442%0.41627%0.266SS..Hα-helixtrans-62.3-41.1177.6-175.960.931.200111.4P261 E262 H263 F268 Q269 Y285P261-Q265 WeakPolarHBondContact O-CB 3.42Å; P261-Q265 PolarHBondContact O-N 2.82Å; E262-Q265 PolarHBondContact O-N 2.86Å; H263-Q265 VanDerWaalsContact C-N 3.33Å; H263-Q265 PolarHBondContact O-N 3.25Å; Q265-F268 PolarHBondContact O-N 3.45Å; Q265-Q269 PolarHBondContact O-N 3.43Å; Q265-Y285 HydrophobicContact CB-CE2 4.39Å; Q265-Y285 VanDerWaalsContact OE1-CE2 3.32Å
266W98.5Very high97.1Very high49 Ų4950.9 Ų50.919%0.18627%0.265CS..Hα-helixtrans-62.6-48.1174.7-175.495.7000111.5V239 Q243 W244 E247 P249 F250 E262 H263 I264 F268 Q269 K270V239-W266 HydrophobicContact CG1-CE3 4.24Å; V239-W266 HydrophobicContact CG1-CH2 4.37Å; V239-W266 HydrophobicContact CG1-CZ3 3.61Å; Q243-W266 HydrophobicContact CG-CH2 4.27Å; W244-W266 HydrophobicContact CB-CZ3 4.32Å; W244-W266 AromaticContact CE3-CE3 3.63Å; W244-W266 HydrophobicContact CE3-CE3 3.63Å; W244-W266 AromaticContact CE3-CZ3 3.71Å; W244-W266 HydrophobicContact CE3-CZ3 3.71Å; W244-W266 HydrophobicContact CZ3-CD2 4.47Å; W244-W266 AromaticContact CZ3-CE3 3.89Å; W244-W266 HydrophobicContact CZ3-CE3 3.89Å; W244-W266 HydrophobicContact CZ3-CZ3 4.42Å; E247-W266 HydrophobicContact CB-CZ2 4.47Å; E247-W266 WeakPolarHBondContact OE2-CZ2 3.47Å; P249-W266 HydrophobicContact CB-CD2 3.85Å; P249-W266 HydrophobicContact CB-CE3 4.48Å; P249-W266 HydrophobicContact CB-CG 4.19Å; P249-W266 HydrophobicContact CB-CH2 4.33Å; P249-W266 HydrophobicContact CB-CZ2 3.66Å; P249-W266 HydrophobicContact CG-CD2 3.77Å; P249-W266 HydrophobicContact CG-CE3 3.91Å; P249-W266 HydrophobicContact CG-CG 4.41Å; P249-W266 HydrophobicContact CG-CH2 3.89Å; P249-W266 HydrophobicContact CG-CZ2 3.74Å; P249-W266 HydrophobicContact CG-CZ3 3.98Å; F250-W266 HydrophobicContact CE2-CB 3.89Å; F250-W266 HydrophobicContact CE2-CG 4.12Å; F250-W266 HydrophobicContact CZ-CB 4.15Å; E262-W266 WeakPolarHBondContact O-CB 3.5Å; E262-W266 PolarHBondContact O-N 3.29Å; H263-W266 PolarHBondContact O-N 2.71Å; I264-W266 VanDerWaalsContact C-N 3.32Å; I264-W266 PolarHBondContact O-N 3.39Å; W266-F268 VanDerWaalsContact C-N 3.3Å; W266-F268 PolarHBondContact O-N 3.1Å; W266-Q269 PolarHBondContact O-N 3.23Å; W266-K270 HydrophobicContact CD2-CG 4.05Å; W266-K270 HydrophobicContact CE3-CG 4.18Å; W266-K270 HydrophobicContact CH2-CG 3.84Å; W266-K270 HydrophobicContact CZ2-CD 4.46Å; W266-K270 HydrophobicContact CZ2-CG 3.68Å; W266-K270 HydrophobicContact CZ3-CG 4.08Å; W266-K270 PolarHBondContact O-N 2.91Å
267I98.5Very high97.1Very high0 Ų054.9 Ų54.90%028%0.283CS..Hα-helixtrans-59.6-44.7177.5-68.7-177.1000110.4I236 V239 R240 W244 L256 H263 I264 Q269 K270 S271 T288 V292I236-I267 HydrophobicContact CG2-CG2 4.08Å; V239-I267 HydrophobicContact CB-CG2 4.21Å; V239-I267 HydrophobicContact CG1-CB 4.15Å; V239-I267 HydrophobicContact CG1-CG1 4.11Å; V239-I267 HydrophobicContact CG1-CG2 3.86Å; R240-I267 HydrophobicContact CB-CD1 4.44Å; W244-I267 HydrophobicContact CE3-CD1 4.18Å; W244-I267 HydrophobicContact CE3-CG1 3.99Å; W244-I267 HydrophobicContact CZ3-CG1 4.28Å; L256-I267 HydrophobicContact CD1-CD1 3.42Å; L256-I267 VanDerWaalsContact CD1-CD1 3.42Å; L256-I267 HydrophobicContact CD1-CG1 4.41Å; L256-I267 HydrophobicContact CD2-CD1 3.49Å; L256-I267 VanDerWaalsContact CD2-CD1 3.49Å; L256-I267 HydrophobicContact CG-CD1 4.09Å; H263-I267 WeakPolarHBondContact O-CG1 3.39Å; H263-I267 PolarHBondContact O-N 2.97Å; I264-I267 PolarHBondContact O-N 3.44Å; I267-Q269 VanDerWaalsContact C-N 3.34Å; I267-Q269 PolarHBondContact O-N 2.97Å; I267-K270 PolarHBondContact O-N 3.31Å; I267-S271 VanDerWaalsContact O-CB 3.23Å; I267-S271 WeakPolarHBondContact O-CB 3.4Å; I267-S271 PolarHBondContact O-N 2.98Å; I267-S271 PolarHBondContact O-OG 2.66Å; I267-T288 HydrophobicContact CB-CG2 4.06Å; I267-T288 HydrophobicContact CG2-CG2 3.56Å; I267-V292 HydrophobicContact CD1-CG2 3.82Å; I267-V292 HydrophobicContact CG2-CG2 4.06Å
268F98.6Very high97.2Very high35 Ų3555.7 Ų55.715%0.15428%0.28CS..Hα-helixtrans-58.7-46.5178.7169.1-125000111.5I264 Q265 W266 S271 L272 V283 Y285 T288I264-F268 VanDerWaalsContact O-CB 3.31Å; I264-F268 WeakPolarHBondContact O-CB 3.21Å; I264-F268 PolarHBondContact O-N 3.28Å; Q265-F268 PolarHBondContact O-N 3.45Å; W266-F268 VanDerWaalsContact C-N 3.3Å; W266-F268 PolarHBondContact O-N 3.1Å; F268-S271 WeakPolarHBondContact O-CB 3.33Å; F268-S271 PolarHBondContact O-N 2.78Å; F268-L272 HydrophobicContact CD2-CD1 4.37Å; F268-L272 HydrophobicContact CD2-CG 4.26Å; F268-L272 HydrophobicContact CE1-CD1 4.01Å; F268-L272 HydrophobicContact CE2-CD1 3.77Å; F268-L272 HydrophobicContact CE2-CD2 4.09Å; F268-L272 HydrophobicContact CE2-CG 3.81Å; F268-L272 HydrophobicContact CZ-CD1 3.57Å; F268-L272 HydrophobicContact CZ-CD2 4.47Å; F268-L272 HydrophobicContact CZ-CG 4.15Å; F268-L272 PolarHBondContact O-N 3.32Å; F268-V283 HydrophobicContact CD2-CG1 3.99Å; F268-V283 HydrophobicContact CE2-CG1 4.07Å; F268-Y285 HydrophobicContact CB-CD2 4.22Å; F268-Y285 AromaticContact CD1-CD2 3.95Å; F268-Y285 HydrophobicContact CD1-CD2 3.95Å; F268-Y285 HydrophobicContact CG-CD2 4.17Å; F268-T288 HydrophobicContact CB-CG2 4.06Å
269Q98.4Very high97.4Very high91 Ų9161.9 Ų61.943%0.42531%0.31SS..Hα-helixtrans-62.3-46179.3-171.559.635.600112Q265 W266 I267 S271 L272 E273Q265-Q269 PolarHBondContact O-N 3.43Å; W266-Q269 PolarHBondContact O-N 3.23Å; I267-Q269 VanDerWaalsContact C-N 3.34Å; I267-Q269 PolarHBondContact O-N 2.97Å; Q269-S271 VanDerWaalsContact C-N 3.29Å; Q269-S271 PolarHBondContact O-N 2.82Å; Q269-L272 WeakPolarHBondContact O-CB 3.17Å; Q269-L272 PolarHBondContact O-N 2.85Å; Q269-E273 PolarHBondContact O-N 2.96Å; Q269-E273 VanDerWaalsContact O-N 3.16Å
270K98.3Very high97.7Very high45 Ų4558.5 Ų58.520%0.19629%0.292CS..Hα-helixtrans-66.6-31.8175.6-67.7-48.2-172.9-169.60113.1V239 W266 I267 L272 E273 R274V239-K270 HydrophobicContact CB-CB 4.43Å; V239-K270 HydrophobicContact CG1-CB 3.66Å; V239-K270 HydrophobicContact CG1-CG 4.49Å; V239-K270 HydrophobicContact CG2-CB 3.8Å; W266-K270 HydrophobicContact CD2-CG 4.05Å; W266-K270 HydrophobicContact CE3-CG 4.18Å; W266-K270 HydrophobicContact CH2-CG 3.84Å; W266-K270 HydrophobicContact CZ2-CD 4.46Å; W266-K270 HydrophobicContact CZ2-CG 3.68Å; W266-K270 HydrophobicContact CZ3-CG 4.08Å; W266-K270 PolarHBondContact O-N 2.91Å; I267-K270 PolarHBondContact O-N 3.31Å; K270-L272 VanDerWaalsContact C-N 3.34Å; K270-E273 VanDerWaalsContact CD-OE2 3.24Å; K270-E273 WeakPolarHBondContact CD-OE2 3.35Å; K270-E273 VanDerWaalsContact NZ-CD 3.33Å; K270-E273 IonicContact NZ-OE1 3.74Å; K270-E273 PolarHBondContact NZ-OE1 3.07Å; K270-E273 IonicContact NZ-OE2 3.84Å; K270-E273 PolarHBondContact NZ-OE2 3.08Å; K270-E273 PolarHBondContact O-N 2.82Å; K270-R274 WeakPolarHBondContact O-CB 3.32Å; K270-R274 PolarHBondContact O-N 3.02Å
271S98.4Very high97.7Very high0 Ų067.4 Ų67.40%032%0.322CS..Hα-helixtrans-67.8-36.8175.8-58.90000111.4I236 I267 F268 Q269 A275I236-S271 WeakPolarHBondContact CA-OG 3.11Å; I267-S271 VanDerWaalsContact O-CB 3.23Å; I267-S271 WeakPolarHBondContact O-CB 3.4Å; I267-S271 PolarHBondContact O-N 2.98Å; I267-S271 PolarHBondContact O-OG 2.66Å; F268-S271 WeakPolarHBondContact O-CB 3.33Å; F268-S271 PolarHBondContact O-N 2.78Å; Q269-S271 VanDerWaalsContact C-N 3.29Å; Q269-S271 PolarHBondContact O-N 2.82Å; S271-A275 WeakPolarHBondContact O-CB 3.4Å; S271-A275 PolarHBondContact O-N 3.46Å
272L98.4Very high97.8Very high65 Ų6565.6 Ų65.634%0.3432%0.319SS..Hα-helixtrans-63.6-45.8172.3-74.3172.4000111.8F268 Q269 K270 A275 S276 V283F268-L272 HydrophobicContact CD2-CD1 4.37Å; F268-L272 HydrophobicContact CD2-CG 4.26Å; F268-L272 HydrophobicContact CE1-CD1 4.01Å; F268-L272 HydrophobicContact CE2-CD1 3.77Å; F268-L272 HydrophobicContact CE2-CD2 4.09Å; F268-L272 HydrophobicContact CE2-CG 3.81Å; F268-L272 HydrophobicContact CZ-CD1 3.57Å; F268-L272 HydrophobicContact CZ-CD2 4.47Å; F268-L272 HydrophobicContact CZ-CG 4.15Å; F268-L272 PolarHBondContact O-N 3.32Å; Q269-L272 WeakPolarHBondContact O-CB 3.17Å; Q269-L272 PolarHBondContact O-N 2.85Å; K270-L272 VanDerWaalsContact C-N 3.34Å; L272-A275 PolarHBondContact O-N 3.48Å; L272-S276 WeakPolarHBondContact O-CB 3.4Å; L272-S276 PolarHBondContact O-N 2.82Å; L272-V283 HydrophobicContact CD2-CB 4Å; L272-V283 HydrophobicContact CD2-CG1 4.02Å; L272-V283 HydrophobicContact CG-CG1 4.19Å
273E98.1Very high97.9Very high76 Ų7660.1 Ų60.136%0.35530%0.295SS..Hα-helixtrans-58.2-49.9176.1-68.2170.8-160.400110.8Q269 K270 S276 Q277Q269-E273 PolarHBondContact O-N 2.96Å; Q269-E273 VanDerWaalsContact O-N 3.16Å; K270-E273 VanDerWaalsContact CD-OE2 3.24Å; K270-E273 WeakPolarHBondContact CD-OE2 3.35Å; K270-E273 VanDerWaalsContact NZ-CD 3.33Å; K270-E273 IonicContact NZ-OE1 3.74Å; K270-E273 PolarHBondContact NZ-OE1 3.07Å; K270-E273 IonicContact NZ-OE2 3.84Å; K270-E273 PolarHBondContact NZ-OE2 3.08Å; K270-E273 PolarHBondContact O-N 2.82Å; E273-S276 WeakPolarHBondContact O-CB 3.36Å; E273-S276 PolarHBondContact O-N 2.86Å; E273-Q277 WeakPolarHBondContact O-CG 2.95Å; E273-Q277 PolarHBondContact O-N 3.3Å
274R97.5Very high97.9Very high24 Ų2462.9 Ų62.99%0.09131%0.312CS..Hα-helixtrans-63-43178.8-176.865.1173.5-177.8-2.1112.1A226 C235 Y238 K270 Q277 Y278A226-R274 PolarHBondContact O-NH2 2.93Å; C235-R274 HydrophobicContact CB-CB 4.39Å; C235-R274 HydrophobicContact CB-CG 4.14Å; Y238-R274 HydrophobicContact CD1-CG 4.06Å; K270-R274 WeakPolarHBondContact O-CB 3.32Å; K270-R274 PolarHBondContact O-N 3.02Å; R274-Q277 WeakPolarHBondContact O-CB 2.93Å; R274-Q277 PolarHBondContact O-N 2.91Å; R274-Y278 WeakPolarHBondContact O-CD2 3.36Å
275A98Very high97.9Very high2 Ų266.2 Ų66.22%0.01733%0.325CS..Hα-helixtrans-65.9-39.1178.900000112C235 S271 L272 Q277 Y278 N279 I280 V283C235-A275 HydrophobicContact CB-CB 4.17Å; S271-A275 WeakPolarHBondContact O-CB 3.4Å; S271-A275 PolarHBondContact O-N 3.46Å; L272-A275 PolarHBondContact O-N 3.48Å; A275-Q277 VanDerWaalsContact C-N 3.33Å; A275-Q277 PolarHBondContact O-N 2.98Å; A275-Y278 CarbonylContact O-C 3.59Å; A275-Y278 PolarHBondContact O-N 3.48Å; A275-Y278 VanDerWaalsContact O-N 3.15Å; A275-N279 PolarHBondContact O-N 2.97Å; A275-I280 HydrophobicContact CB-CB 4.17Å; A275-I280 PolarHBondContact O-N 3.03Å; A275-V283 HydrophobicContact CB-CG2 3.55Å
276S97.5Very high97.8Very high88 Ų8871.7 Ų71.762%0.61534%0.342SS*.Hα-helixtrans-59-41.9175.3-172.60000112.1L272 E273 Y278 N279L272-S276 WeakPolarHBondContact O-CB 3.4Å; L272-S276 PolarHBondContact O-N 2.82Å; E273-S276 WeakPolarHBondContact O-CB 3.36Å; E273-S276 PolarHBondContact O-N 2.86Å; S276-Y278 PolarHBondContact O-N 2.91Å; S276-Y278 VanDerWaalsContact O-N 3.16Å; S276-N279 PolarHBondContact O-N 2.9Å; S276-N279 VanDerWaalsContact O-N 3.1Å
277Q97.1Very high97.7Very high130 Ų13071.3 Ų71.361%0.60734%0.344SS*.Hα-helixtrans-58-30177.1-68.4167.56.100113.6E273 R274 A275E273-Q277 WeakPolarHBondContact O-CG 2.95Å; E273-Q277 PolarHBondContact O-N 3.3Å; R274-Q277 WeakPolarHBondContact O-CB 2.93Å; R274-Q277 PolarHBondContact O-N 2.91Å; A275-Q277 VanDerWaalsContact C-N 3.33Å; A275-Q277 PolarHBondContact O-N 2.98Å
278Y97Very high97.7Very high91 Ų9171.3 Ų71.336%0.35734%0.344SS..THydrogen-bonded Turntrans-108.39.7-179.4-68.6-96.2000112.9P229 R274 A275 S276 I280P229-Y278 HydrophobicContact CG-CD1 3.52Å; P229-Y278 HydrophobicContact CG-CD2 3.64Å; P229-Y278 HydrophobicContact CG-CE1 3.72Å; P229-Y278 HydrophobicContact CG-CE2 3.87Å; P229-Y278 HydrophobicContact CG-CG 3.47Å; P229-Y278 VanDerWaalsContact CG-CG 3.47Å; R274-Y278 WeakPolarHBondContact O-CD2 3.36Å; A275-Y278 CarbonylContact O-C 3.59Å; A275-Y278 PolarHBondContact O-N 3.48Å; A275-Y278 VanDerWaalsContact O-N 3.15Å; S276-Y278 PolarHBondContact O-N 2.91Å; S276-Y278 VanDerWaalsContact O-N 3.16Å; Y278-I280 PolarHBondContact O-N 3.16Å
279N97.1Very high97.6Very high146 Ų14672.6 Ų72.678%0.78135%0.35SS*.THydrogen-bonded Turntrans54.233.1-175.4-61.2-66.7000114.3A275 S276A275-N279 PolarHBondContact O-N 2.97Å; S276-N279 PolarHBondContact O-N 2.9Å; S276-N279 VanDerWaalsContact O-N 3.1Å
280I97.5Very high97.5Very high24 Ų2469.4 Ų69.412%0.12334%0.341CS..  trans-87.6128.3178.3-63.4168.4000109.1P229 P232 A275 Y278P229-I280 HydrophobicContact CB-CD1 3.75Å; P229-I280 HydrophobicContact CG-CD1 4.08Å; P232-I280 HydrophobicContact CB-CG2 4.24Å; A275-I280 HydrophobicContact CB-CB 4.17Å; A275-I280 PolarHBondContact O-N 3.03Å; Y278-I280 PolarHBondContact O-N 3.16Å
281R96.9Very high97.3Very high231 Ų23168.1 Ų68.187%0.87234%0.337SS*.  trans-100.2162.5176.1-62.2-176.1-179.6-174.90.2110.6
282G97.1Very high97.2Very high49 Ų4968.8 Ų68.851%0.50534%0.341SS..  trans99.43.2171.800000115.9T284 L287G282-T284 PolarHBondContact O-N 3.25Å; G282-L287 WeakPolarHBondContact O-CD2 3.31Å
283V97.9Very high96.9Very high16 Ų1669.1 Ų69.110%0.09734%0.34CS..  trans-68.7117.9170.2179.50000109P232 I236 F268 L272 A275P232-V283 HydrophobicContact CB-CB 4.47Å; P232-V283 HydrophobicContact CB-CG2 3.61Å; I236-V283 HydrophobicContact CG1-CG1 4.45Å; F268-V283 HydrophobicContact CD2-CG1 3.99Å; F268-V283 HydrophobicContact CE2-CG1 4.07Å; L272-V283 HydrophobicContact CD2-CB 4Å; L272-V283 HydrophobicContact CD2-CG1 4.02Å; L272-V283 HydrophobicContact CG-CG1 4.19Å; A275-V283 HydrophobicContact CB-CG2 3.55Å
284T98Very high96.6Very high68 Ų6872 Ų7242%0.41735%0.347SS..  trans-132.3155.117863.80000109.2G282 R286 L287 T288G282-T284 PolarHBondContact O-N 3.25Å; T284-R286 PolarHBondContact O-N 2.72Å; T284-L287 PolarHBondContact O-N 3.45Å; T284-L287 VanDerWaalsContact O-N 3.08Å; T284-L287 WeakPolarHBondContact OG1-CB 3.48Å; T284-L287 PolarHBondContact OG1-N 2.86Å; T284-L287 VanDerWaalsContact OG1-N 3.16Å; T284-T288 PolarHBondContact O-N 3.47Å; T284-T288 PolarHBondContact O-OG1 2.91Å; T284-T288 VanDerWaalsContact O-OG1 3.07Å
285Y97.9Very high96.3Very high71 Ų7175 Ų7528%0.27837%0.365SS..Hα-helixtrans-54.6-42.1176.5-173.3-92.3000112.2I264 Q265 F268 L287 T288 Q289I264-Y285 HydrophobicContact CB-CE2 4.36Å; I264-Y285 HydrophobicContact CG2-CD2 4.21Å; I264-Y285 HydrophobicContact CG2-CE1 4.25Å; I264-Y285 HydrophobicContact CG2-CE2 3.55Å; Q265-Y285 HydrophobicContact CB-CE2 4.39Å; Q265-Y285 VanDerWaalsContact OE1-CE2 3.32Å; F268-Y285 HydrophobicContact CB-CD2 4.22Å; F268-Y285 AromaticContact CD1-CD2 3.95Å; F268-Y285 HydrophobicContact CD1-CD2 3.95Å; F268-Y285 HydrophobicContact CG-CD2 4.17Å; Y285-L287 PolarHBondContact O-N 2.99Å; Y285-T288 WeakPolarHBondContact O-CB 3.35Å; Y285-T288 PolarHBondContact O-N 2.99Å; Y285-Q289 HydrophobicContact CD1-CG 4.27Å; Y285-Q289 HydrophobicContact CE1-CG 3.94Å; Y285-Q289 PolarHBondContact O-N 3.27Å
286R96.9Very high95.9Very high204 Ų20479 Ų7977%0.7739%0.385SS*.Hα-helixtrans-60.2-44.6176-174.8-174.2-62.61560.9112.3T284 T288 Q289 G290T284-R286 PolarHBondContact O-N 2.72Å; R286-T288 VanDerWaalsContact C-N 3.34Å; R286-Q289 PolarHBondContact O-N 2.77Å; R286-G290 PolarHBondContact O-N 2.99Å
287L97.6Very high95.7Very high41 Ų4179 Ų7922%0.21538%0.383CS..Hα-helixtrans-66.3-39.5177-176.964.1000111P232 E233 I236 G282 T284 Y285 Q289 G290 V291P232-L287 HydrophobicContact CB-CD2 3.71Å; P232-L287 HydrophobicContact CG-CD2 3.65Å; E233-L287 HydrophobicContact CG-CD1 4.1Å; E233-L287 HydrophobicContact CG-CD2 4.45Å; I236-L287 HydrophobicContact CD1-CB 4.31Å; I236-L287 HydrophobicContact CD1-CD2 3.98Å; I236-L287 HydrophobicContact CD1-CG 3.76Å; G282-L287 WeakPolarHBondContact O-CD2 3.31Å; T284-L287 PolarHBondContact O-N 3.45Å; T284-L287 VanDerWaalsContact O-N 3.08Å; T284-L287 WeakPolarHBondContact OG1-CB 3.48Å; T284-L287 PolarHBondContact OG1-N 2.86Å; T284-L287 VanDerWaalsContact OG1-N 3.16Å; Y285-L287 PolarHBondContact O-N 2.99Å; L287-Q289 PolarHBondContact O-N 3.47Å; L287-G290 WeakPolarHBondContact O-CA 3.31Å; L287-G290 PolarHBondContact O-N 3.08Å; L287-G290 VanDerWaalsContact O-N 3.13Å; L287-V291 HydrophobicContact CD1-CG2 4.28Å; L287-V291 HydrophobicContact CG-CG2 4.38Å; L287-V291 WeakPolarHBondContact O-CG2 3.38Å; L287-V291 PolarHBondContact O-N 3.12Å
288T98.1Very high95.6Very high0 Ų074.1 Ų74.10%036%0.364CS..Hα-helixtrans-56.5-50.3175.1-55.30000111.4I236 I264 I267 F268 T284 Y285 R286 G290 V291 V292I236-T288 HydrophobicContact CG2-CG2 4.08Å; I264-T288 HydrophobicContact CG2-CG2 4.28Å; I267-T288 HydrophobicContact CB-CG2 4.06Å; I267-T288 HydrophobicContact CG2-CG2 3.56Å; F268-T288 HydrophobicContact CB-CG2 4.06Å; T284-T288 PolarHBondContact O-N 3.47Å; T284-T288 PolarHBondContact O-OG1 2.91Å; T284-T288 VanDerWaalsContact O-OG1 3.07Å; Y285-T288 WeakPolarHBondContact O-CB 3.35Å; Y285-T288 PolarHBondContact O-N 2.99Å; R286-T288 VanDerWaalsContact C-N 3.34Å; T288-G290 VanDerWaalsContact C-N 3.31Å; T288-G290 PolarHBondContact O-N 3.07Å; T288-V291 PolarHBondContact O-N 2.73Å; T288-V292 HydrophobicContact CG2-CG2 4.22Å; T288-V292 WeakPolarHBondContact O-CB 3.27Å; T288-V292 VanDerWaalsContact O-CG2 3.24Å; T288-V292 WeakPolarHBondContact O-CG2 3.37Å; T288-V292 PolarHBondContact O-N 3.22Å
289Q96.4Very high95.5Very high63 Ų6371.9 Ų71.929%0.29436%0.36SS..Hα-helixtrans-58.2-44.9174.5-70.7-177.9-57.900111.7I264 Y285 R286 L287 V291 V292 K293 I295I264-Q289 HydrophobicContact CG2-CG 3.54Å; Y285-Q289 HydrophobicContact CD1-CG 4.27Å; Y285-Q289 HydrophobicContact CE1-CG 3.94Å; Y285-Q289 PolarHBondContact O-N 3.27Å; R286-Q289 PolarHBondContact O-N 2.77Å; L287-Q289 PolarHBondContact O-N 3.47Å; Q289-V291 PolarHBondContact O-N 2.9Å; Q289-V292 PolarHBondContact O-N 3.34Å; Q289-K293 WeakPolarHBondContact O-CB 3.4Å; Q289-K293 PolarHBondContact O-N 3.02Å; Q289-I295 HydrophobicContact CB-CD1 4Å
290G95.2Very high95.6Very high23 Ų2367.1 Ų67.124%0.23734%0.341CS..Hα-helixtrans-55.3-47.917800000113.3R286 L287 T288 R294 I295R286-G290 PolarHBondContact O-N 2.99Å; L287-G290 WeakPolarHBondContact O-CA 3.31Å; L287-G290 PolarHBondContact O-N 3.08Å; L287-G290 VanDerWaalsContact O-N 3.13Å; T288-G290 VanDerWaalsContact C-N 3.31Å; T288-G290 PolarHBondContact O-N 3.07Å; G290-R294 CarbonylContact O-C 3.05Å; G290-R294 WeakPolarHBondContact O-CA 3.32Å; G290-R294 PolarHBondContact O-N 3.23Å; G290-I295 PolarHBondContact O-N 3.24Å
291V95.4Very high95.6Very high19 Ų1968.8 Ų68.812%0.11536%0.355CS..Hα-helixtrans-71.5-46.6179.6175.20000111.3E233 I236 E237 L287 T288 Q289 R294E233-V291 HydrophobicContact CB-CG2 4.02Å; E233-V291 HydrophobicContact CG-CG2 3.73Å; I236-V291 HydrophobicContact CB-CB 4.28Å; I236-V291 HydrophobicContact CB-CG1 4.11Å; I236-V291 HydrophobicContact CB-CG2 4.48Å; I236-V291 HydrophobicContact CD1-CG2 4.12Å; I236-V291 HydrophobicContact CG2-CB 3.73Å; I236-V291 HydrophobicContact CG2-CG1 3.68Å; I236-V291 HydrophobicContact CG2-CG2 4.41Å; E237-V291 HydrophobicContact CB-CG1 4.43Å; E237-V291 WeakPolarHBondContact OE2-CG1 3.43Å; L287-V291 HydrophobicContact CD1-CG2 4.28Å; L287-V291 HydrophobicContact CG-CG2 4.38Å; L287-V291 WeakPolarHBondContact O-CG2 3.38Å; L287-V291 PolarHBondContact O-N 3.12Å; T288-V291 PolarHBondContact O-N 2.73Å; Q289-V291 PolarHBondContact O-N 2.9Å; V291-R294 PolarHBondContact O-N 3.13Å
292V95.8Very high95.7Very high13 Ų1357.9 Ų57.98%0.07931%0.314CS..Hα-helixtrans-63.8-47.7-175.7172.10000111.7I236 L256 I264 I267 T288 Q289I236-V292 HydrophobicContact CG2-CG2 4.2Å; L256-V292 HydrophobicContact CD2-CG1 4Å; L256-V292 HydrophobicContact CG-CG1 4.45Å; I264-V292 HydrophobicContact CD1-CB 3.86Å; I264-V292 HydrophobicContact CD1-CG1 3.6Å; I264-V292 HydrophobicContact CD1-CG2 4.1Å; I267-V292 HydrophobicContact CD1-CG2 3.82Å; I267-V292 HydrophobicContact CG2-CG2 4.06Å; T288-V292 HydrophobicContact CG2-CG2 4.22Å; T288-V292 WeakPolarHBondContact O-CB 3.27Å; T288-V292 VanDerWaalsContact O-CG2 3.24Å; T288-V292 WeakPolarHBondContact O-CG2 3.37Å; T288-V292 PolarHBondContact O-N 3.22Å; Q289-V292 PolarHBondContact O-N 3.34Å
293K92.4Very high95.7Very high73 Ų7355.9 Ų55.932%0.31729%0.292SS..Hα-helixtrans-90.1-3.1-178.2-60.8-179.365.5167.20113.6G258 D259 Q289 I295G258-K293 VanDerWaalsContact O-CD 3.31Å; G258-K293 WeakPolarHBondContact O-CD 3.31Å; G258-K293 WeakPolarHBondContact O-CG 3.42Å; D259-K293 VanDerWaalsContact OD1-CE 3.23Å; D259-K293 WeakPolarHBondContact OD1-CE 3.48Å; D259-K293 IonicContact OD1-NZ 2.85Å; D259-K293 PolarHBondContact OD1-NZ 3.38Å; Q289-K293 WeakPolarHBondContact O-CB 3.4Å; Q289-K293 PolarHBondContact O-N 3.02Å; K293-I295 VanDerWaalsContact C-N 3.29Å; K293-I295 HydrophobicContact CB-CD1 4.35Å; K293-I295 HydrophobicContact CB-CG1 3.71Å; K293-I295 HydrophobicContact CD-CD1 4.31Å; K293-I295 HydrophobicContact CD-CG1 4.47Å; K293-I295 PolarHBondContact O-N 3.37Å
294R92Very high95.8Very high135 Ų13556.5 Ų56.551%0.50930%0.299SS..THydrogen-bonded Turntrans51.147.7-171.3-58.8-177.1172-143.1-6.4112.1G290 V291 I296G290-R294 CarbonylContact O-C 3.05Å; G290-R294 WeakPolarHBondContact O-CA 3.32Å; G290-R294 PolarHBondContact O-N 3.23Å; V291-R294 PolarHBondContact O-N 3.13Å; R294-I296 PolarHBondContact O-N 3.23Å
295I90.7Very high95.8Very high89 Ų8955.8 Ų55.846%0.45629%0.294SS..PPolyproline II helixtrans-62.5124.3-172.7-57.5-178.5000110.5Q289 G290 K293Q289-I295 HydrophobicContact CB-CD1 4Å; G290-I295 PolarHBondContact O-N 3.24Å; K293-I295 VanDerWaalsContact C-N 3.29Å; K293-I295 HydrophobicContact CB-CD1 4.35Å; K293-I295 HydrophobicContact CB-CG1 3.71Å; K293-I295 HydrophobicContact CD-CD1 4.31Å; K293-I295 HydrophobicContact CD-CG1 4.47Å; K293-I295 PolarHBondContact O-N 3.37Å
296I90.5Very high95.8Very high84 Ų8452.4 Ų52.443%0.43128%0.281SS..PPolyproline II helixtrans-90.8123.3168.5-59.1177.7000108.3E190 R294 A298E190-I296 HydrophobicContact CB-CG2 3.93Å; E190-I296 HydrophobicContact CG-CG2 3.66Å; R294-I296 PolarHBondContact O-N 3.23Å; I296-A298 PolarHBondContact O-N 2.9Å
297P92.8Very high95.9Very high90 Ų9042.7 Ų42.758%0.58424%0.244SC*.PPolyproline II helixtrans-55.9137173.5-24.834.7000111.1G191G191-P297 VanDerWaalsContact CA-O 3.27Å; G191-P297 WeakPolarHBondContact CA-O 3.2Å; G191-P297 PolarHBondContact N-O 3.15Å
298A94.1Very high96Very high26 Ų2642.9 Ų42.922%0.21525%0.251CS..  trans-147.7136.9-176.300000112.2N96 R97 I296N96-A298 PolarHBondContact ND2-O 3.29Å; R97-A298 VanDerWaalsContact NE-CB 3.31Å; I296-A298 PolarHBondContact O-N 2.9Å
299V96.6Very high96Very high45 Ų4544.4 Ų44.427%0.27326%0.261SS..  trans-128.4156.2-179.8-64.60000110.9F192 S301 T302 N303F192-V299 HydrophobicContact CD1-CG2 4.39Å; F192-V299 HydrophobicContact CE1-CG1 4.49Å; F192-V299 HydrophobicContact CE1-CG2 4.19Å; V299-S301 WeakPolarHBondContact CG2-OG 3.22Å; V299-T302 WeakPolarHBondContact CG2-OG1 3.36Å; V299-N303 PolarHBondContact O-ND2 3.47Å
300A97.8Very high96.1Very high45 Ų4541.4 Ų41.437%0.37225%0.247SC..Hα-helixtrans-63.4-40.2-179.500000112.6R97 T302 N303 A304R97-A300 HydrophobicContact CB-CB 4.21Å; A300-T302 PolarHBondContact O-N 2.93Å; A300-N303 PolarHBondContact O-N 3.01Å; A300-A304 WeakPolarHBondContact O-CB 3.45Å; A300-A304 PolarHBondContact O-N 3.25Å
301S98.1Very high96.3Very high60 Ų6040.4 Ų40.442%0.4224%0.237SC..Hα-helixtrans-57.6-52.5-176.450.40000113V299 N303 A304 V305V299-S301 WeakPolarHBondContact CG2-OG 3.22Å; S301-N303 VanDerWaalsContact C-N 3.32Å; S301-N303 PolarHBondContact O-N 2.87Å; S301-A304 WeakPolarHBondContact O-CB 3.45Å; S301-A304 PolarHBondContact O-N 3.27Å; S301-A304 VanDerWaalsContact O-N 3.16Å; S301-V305 WeakPolarHBondContact O-CG2 3.36Å; S301-V305 PolarHBondContact O-N 3.02Å
302T98.1Very high96.5Very high1 Ų142.8 Ų42.81%0.00625%0.251CS..Hα-helixtrans-62.3-39.5-179.4-44.50000111.8T189 G191 K193 V299 A300 V305 I306 F331T189-T302 HydrophobicContact CG2-CG2 4.11Å; G191-T302 WeakPolarHBondContact O-CB 3.47Å; G191-T302 PolarHBondContact O-OG1 3.42Å; K193-T302 VanDerWaalsContact O-CG2 3.31Å; K193-T302 WeakPolarHBondContact O-CG2 3.22Å; V299-T302 WeakPolarHBondContact CG2-OG1 3.36Å; A300-T302 PolarHBondContact O-N 2.93Å; T302-V305 PolarHBondContact O-N 3.36Å; T302-I306 PolarHBondContact O-N 3.17Å; T302-I306 VanDerWaalsContact O-N 3.11Å; T302-F331 HydrophobicContact CG2-CD1 4.27Å; T302-F331 HydrophobicContact CG2-CE1 4.23Å
303N98.2Very high96.6Very high7 Ų742.7 Ų42.74%0.03725%0.25CC..Hα-helixtrans-64.5-42.6174.7-73.7-70.8000111.8L66 T189 V299 A300 S301 A307L66-N303 PolarHBondContact N-OD1 3.29Å; T189-N303 PolarHBondContact OG1-OD1 3.1Å; V299-N303 PolarHBondContact O-ND2 3.47Å; A300-N303 PolarHBondContact O-N 3.01Å; S301-N303 VanDerWaalsContact C-N 3.32Å; S301-N303 PolarHBondContact O-N 2.87Å; N303-A307 WeakPolarHBondContact O-CB 3.38Å; N303-A307 PolarHBondContact O-N 3.47Å
304A98.6Very high96.9Very high30 Ų3039.2 Ų39.225%0.24824%0.235CC..Hα-helixtrans-63-41.8176.200000112.2E69 A300 S301 A308E69-A304 HydrophobicContact CG-CB 4.21Å; A300-A304 WeakPolarHBondContact O-CB 3.45Å; A300-A304 PolarHBondContact O-N 3.25Å; S301-A304 WeakPolarHBondContact O-CB 3.45Å; S301-A304 PolarHBondContact O-N 3.27Å; S301-A304 VanDerWaalsContact O-N 3.16Å; A304-A308 WeakPolarHBondContact O-CB 3.45Å; A304-A308 PolarHBondContact O-N 2.95Å
305V98.6Very high97.2Very high53 Ų5333.9 Ų33.932%0.32122%0.215SC..Hα-helixtrans-60.7-54.4177.3171.10000110.9S301 T302 A308 V309 F331S301-V305 WeakPolarHBondContact O-CG2 3.36Å; S301-V305 PolarHBondContact O-N 3.02Å; T302-V305 PolarHBondContact O-N 3.36Å; V305-A308 PolarHBondContact O-N 3.34Å; V305-V309 WeakPolarHBondContact O-CG2 3.31Å; V305-V309 PolarHBondContact O-N 3.43Å; V305-V309 VanDerWaalsContact O-N 3.13Å; V305-F331 HydrophobicContact CB-CE1 4.38Å; V305-F331 HydrophobicContact CB-CZ 4.44Å; V305-F331 HydrophobicContact CG1-CD1 4.09Å; V305-F331 HydrophobicContact CG1-CD2 3.9Å; V305-F331 HydrophobicContact CG1-CE1 4.17Å; V305-F331 HydrophobicContact CG1-CE2 3.98Å; V305-F331 HydrophobicContact CG1-CG 3.94Å; V305-F331 HydrophobicContact CG1-CZ 4.1Å; V305-F331 HydrophobicContact CG2-CE1 4.4Å; V305-F331 HydrophobicContact CG2-CZ 4.08Å
306I98.7Very high97.6Very high0 Ų031.6 Ų31.60%020%0.202CC..Hα-helixtrans-67.3-42.4-177.1-62.1-53.5000111.4L66 T189 N195 A196 T302 A308 V309 C310 F331L66-I306 HydrophobicContact CD1-CB 4.37Å; L66-I306 HydrophobicContact CD1-CG2 3.78Å; L66-I306 HydrophobicContact CG-CG2 4.5Å; T189-I306 HydrophobicContact CG2-CB 3.94Å; T189-I306 HydrophobicContact CG2-CG1 3.74Å; T189-I306 HydrophobicContact CG2-CG2 4.44Å; N195-I306 WeakPolarHBondContact O-CG2 3.48Å; A196-I306 HydrophobicContact CB-CG2 4.35Å; T302-I306 PolarHBondContact O-N 3.17Å; T302-I306 VanDerWaalsContact O-N 3.11Å; I306-A308 VanDerWaalsContact C-N 3.29Å; I306-A308 PolarHBondContact O-N 2.95Å; I306-V309 PolarHBondContact O-N 3.48Å; I306-C310 PolarHBondContact O-N 2.56Å; I306-C310 PolarHBondContact O-SG 2.98Å; I306-C310 VanDerWaalsContact O-SG 3.37Å; I306-F331 HydrophobicContact CD1-CB 4Å
307A98.8Very high98Very high0 Ų029.1 Ų29.10%019%0.189CC..Hα-helixtrans-64.9-31.4176.800000112.8L66 E69 L70 N73 N303 A311L66-A307 HydrophobicContact CD2-CB 4.17Å; L66-A307 HydrophobicContact CG-CB 4.26Å; E69-A307 HydrophobicContact CB-CB 3.32Å; E69-A307 HydrophobicContact CG-CB 4.42Å; L70-A307 HydrophobicContact CD2-CB 4.23Å; L70-A307 HydrophobicContact CG-CB 4.07Å; N73-A307 PolarHBondContact ND2-O 3.14Å; N303-A307 WeakPolarHBondContact O-CB 3.38Å; N303-A307 PolarHBondContact O-N 3.47Å; A307-A311 WeakPolarHBondContact O-CB 3.27Å; A307-A311 PolarHBondContact O-N 3.11Å
308A98.8Very high98.3Very high44 Ų4426.2 Ų26.236%0.36417%0.173SC..Hα-helixtrans-67.1-43173.600000111.6N73 A304 V305 I306 T312N73-A308 WeakPolarHBondContact ND2-CA 3.5Å; N73-A308 PolarHBondContact ND2-N 3.27Å; A304-A308 WeakPolarHBondContact O-CB 3.45Å; A304-A308 PolarHBondContact O-N 2.95Å; V305-A308 PolarHBondContact O-N 3.34Å; I306-A308 VanDerWaalsContact C-N 3.29Å; I306-A308 PolarHBondContact O-N 2.95Å; A308-T312 WeakPolarHBondContact O-CB 3.28Å; A308-T312 PolarHBondContact O-N 2.91Å; A308-T312 PolarHBondContact O-OG1 3.09Å
309V98.8Very high98.5Very high32 Ų3226 Ų2619%0.19417%0.169CC..Hα-helixtrans-60.1-55.9173.4176.40000109.6A196 V305 I306 A311 T312 E313 L329A196-V309 HydrophobicContact CB-CB 4.13Å; A196-V309 HydrophobicContact CB-CG1 3.59Å; V305-V309 WeakPolarHBondContact O-CG2 3.31Å; V305-V309 PolarHBondContact O-N 3.43Å; V305-V309 VanDerWaalsContact O-N 3.13Å; I306-V309 PolarHBondContact O-N 3.48Å; V309-A311 PolarHBondContact O-N 2.81Å; V309-T312 WeakPolarHBondContact O-CB 3.47Å; V309-T312 PolarHBondContact O-N 2.95Å; V309-T312 VanDerWaalsContact O-N 3.13Å; V309-E313 WeakPolarHBondContact O-CG 3.34Å; V309-E313 PolarHBondContact O-N 2.77Å; V309-L329 HydrophobicContact CG1-CD1 4.33Å
310C98.8Very high98.5Very high0 Ų025.6 Ų25.60%017%0.168CC..Hα-helixtrans-56.6-46.4-179.1-68.40000112.7L70 V149 I185 I306 T312 E313 V314L70-C310 HydrophobicContact CD2-CB 3.75Å; V149-C310 HydrophobicContact CG2-CB 4.06Å; I185-C310 HydrophobicContact CG2-CB 3.75Å; I306-C310 PolarHBondContact O-N 2.56Å; I306-C310 PolarHBondContact O-SG 2.98Å; I306-C310 VanDerWaalsContact O-SG 3.37Å; C310-T312 VanDerWaalsContact C-N 3.32Å; C310-T312 PolarHBondContact O-N 2.84Å; C310-E313 PolarHBondContact O-N 2.75Å; C310-E313 VanDerWaalsContact O-N 3.14Å; C310-V314 WeakPolarHBondContact O-CG2 3.23Å; C310-V314 PolarHBondContact O-N 3.43Å
311A98.8Very high98.6Very high3 Ų323.5 Ų23.53%0.02515%0.15CC..Hα-helixtrans-65.5-35179.300000112.8L70 N73 L74 A307 V309 E313 V314 F315L70-A311 HydrophobicContact CD2-CB 4.29Å; N73-A311 HydrophobicContact CB-CB 3.36Å; L74-A311 HydrophobicContact CD2-CB 4.33Å; A307-A311 WeakPolarHBondContact O-CB 3.27Å; A307-A311 PolarHBondContact O-N 3.11Å; V309-A311 PolarHBondContact O-N 2.81Å; A311-E313 VanDerWaalsContact C-N 3.3Å; A311-V314 PolarHBondContact O-N 3.07Å; A311-F315 PolarHBondContact O-N 3.32Å
312T98.9Very high98.6Very high69 Ų6925 Ų2542%0.42315%0.148SC..Hα-helixtrans-63-40.3172.9-58.10000110.7A308 V309 C310 F315 K316A308-T312 WeakPolarHBondContact O-CB 3.28Å; A308-T312 PolarHBondContact O-N 2.91Å; A308-T312 PolarHBondContact O-OG1 3.09Å; V309-T312 WeakPolarHBondContact O-CB 3.47Å; V309-T312 PolarHBondContact O-N 2.95Å; V309-T312 VanDerWaalsContact O-N 3.13Å; C310-T312 VanDerWaalsContact C-N 3.32Å; C310-T312 PolarHBondContact O-N 2.84Å; T312-F315 WeakPolarHBondContact O-CB 3.36Å; T312-F315 PolarHBondContact O-N 3.31Å; T312-K316 WeakPolarHBondContact O-CG 3.11Å; T312-K316 PolarHBondContact O-N 2.94Å
313E98.8Very high98.6Very high11 Ų1130.1 Ų30.15%0.05117%0.174CC..Hα-helixtrans-68.8-35.9176.8-60.5-47.5133.700112.6I185 V198 V309 C310 A311 F315 K316 I317 P324 L325I185-E313 VanDerWaalsContact CD1-C 3.44Å; I185-E313 HydrophobicContact CD1-CB 3.71Å; I185-E313 HydrophobicContact CG2-CB 4.44Å; V198-E313 HydrophobicContact CG2-CB 3.67Å; V198-E313 HydrophobicContact CG2-CG 3.69Å; V309-E313 WeakPolarHBondContact O-CG 3.34Å; V309-E313 PolarHBondContact O-N 2.77Å; C310-E313 PolarHBondContact O-N 2.75Å; C310-E313 VanDerWaalsContact O-N 3.14Å; A311-E313 VanDerWaalsContact C-N 3.3Å; E313-F315 VanDerWaalsContact C-N 3.31Å; E313-F315 PolarHBondContact O-N 2.84Å; E313-K316 PolarHBondContact O-N 3.39Å; E313-K316 IonicContact OE1-NZ 3.93Å; E313-K316 PolarHBondContact OE1-NZ 2.83Å; E313-K316 WeakPolarHBondContact OE2-CD 3.5Å; E313-K316 IonicContact OE2-NZ 2.66Å; E313-I317 WeakPolarHBondContact O-CB 3.29Å; E313-I317 WeakPolarHBondContact O-CG1 3.45Å; E313-I317 PolarHBondContact O-N 3.4Å; E313-P324 WeakPolarHBondContact OE2-CA 3.28Å; E313-L325 VanDerWaalsContact CD-CB 3.43Å; E313-L325 HydrophobicContact CG-CB 3.95Å; E313-L325 WeakPolarHBondContact OE2-CB 3.28Å; E313-L325 PolarHBondContact OE2-N 3.34Å
314V98.8Very high98.6Very high0 Ų031.5 Ų31.50%018%0.183CC..Hα-helixtrans-59-46.7170.3-179.90000109.9V58 L74 F79 I147 V149 I185 C310 A311 K316 I317 A318V58-V314 HydrophobicContact CG1-CG1 4.21Å; V58-V314 HydrophobicContact CG2-CG1 4.18Å; L74-V314 HydrophobicContact CD2-CB 3.77Å; L74-V314 HydrophobicContact CD2-CG1 3.66Å; L74-V314 HydrophobicContact CD2-CG2 4.04Å; F79-V314 HydrophobicContact CE1-CG1 3.99Å; F79-V314 HydrophobicContact CE2-CG1 4.19Å; F79-V314 HydrophobicContact CZ-CG1 3.65Å; I147-V314 HydrophobicContact CB-CG1 4.42Å; I147-V314 HydrophobicContact CD1-CG1 3.86Å; I147-V314 HydrophobicContact CG2-CG1 4.12Å; I147-V314 HydrophobicContact CG2-CG2 4.22Å; V149-V314 HydrophobicContact CB-CG2 4.05Å; V149-V314 HydrophobicContact CG1-CG2 4.43Å; V149-V314 HydrophobicContact CG2-CG2 4.29Å; I185-V314 HydrophobicContact CD1-CB 4.13Å; I185-V314 HydrophobicContact CD1-CG2 3.51Å; I185-V314 HydrophobicContact CG1-CG2 4.46Å; C310-V314 WeakPolarHBondContact O-CG2 3.23Å; C310-V314 PolarHBondContact O-N 3.43Å; A311-V314 PolarHBondContact O-N 3.07Å; V314-K316 PolarHBondContact O-N 2.63Å; V314-I317 PolarHBondContact O-N 2.79Å; V314-A318 WeakPolarHBondContact O-CB 3.29Å; V314-A318 PolarHBondContact O-N 2.7Å
315F98.8Very high98.6Very high22 Ų2231.1 Ų31.110%0.09618%0.177CC..Hα-helixtrans-59.7-46.6178.5-176.3-94.7000112.1V27 F30 L31 L52 F79 A311 T312 E313 A318 T319 A321V27-F315 HydrophobicContact CG1-CE2 3.7Å; V27-F315 HydrophobicContact CG1-CZ 3.94Å; F30-F315 HydrophobicContact CB-CE1 4.21Å; F30-F315 HydrophobicContact CB-CZ 4.37Å; L31-F315 HydrophobicContact CD2-CZ 3.9Å; L31-F315 HydrophobicContact CG-CZ 4.32Å; L52-F315 HydrophobicContact CD2-CD2 4.3Å; L52-F315 HydrophobicContact CD2-CE2 3.98Å; F79-F315 HydrophobicContact CE2-CB 4.38Å; F79-F315 HydrophobicContact CE2-CD2 4.23Å; A311-F315 PolarHBondContact O-N 3.32Å; T312-F315 WeakPolarHBondContact O-CB 3.36Å; T312-F315 PolarHBondContact O-N 3.31Å; E313-F315 VanDerWaalsContact C-N 3.31Å; E313-F315 PolarHBondContact O-N 2.84Å; F315-A318 PolarHBondContact O-N 2.75Å; F315-T319 HydrophobicContact CD2-CG2 4.08Å; F315-T319 HydrophobicContact CE1-CG2 4.33Å; F315-T319 HydrophobicContact CE2-CG2 3.82Å; F315-T319 HydrophobicContact CG-CG2 4.45Å; F315-T319 HydrophobicContact CZ-CG2 3.95Å; F315-T319 WeakPolarHBondContact O-CB 3.33Å; F315-T319 VanDerWaalsContact O-CG2 3.28Å; F315-T319 WeakPolarHBondContact O-CG2 3.37Å; F315-T319 PolarHBondContact O-N 2.79Å; F315-T319 VanDerWaalsContact O-N 3.07Å; F315-T319 PolarHBondContact O-OG1 3.42Å; F315-A321 HydrophobicContact CE1-CB 4.12Å
316K98.7Very high98.5Very high41 Ų4132.2 Ų32.218%0.17818%0.181CC..Hα-helixtrans-61.1-46.3178.2-70.2175.1-177.2167.70112.3T312 E313 V314 T319 S320T312-K316 WeakPolarHBondContact O-CG 3.11Å; T312-K316 PolarHBondContact O-N 2.94Å; E313-K316 PolarHBondContact O-N 3.39Å; E313-K316 IonicContact OE1-NZ 3.93Å; E313-K316 PolarHBondContact OE1-NZ 2.83Å; E313-K316 WeakPolarHBondContact OE2-CD 3.5Å; E313-K316 IonicContact OE2-NZ 2.66Å; V314-K316 PolarHBondContact O-N 2.63Å; K316-T319 PolarHBondContact O-N 3.46Å; K316-S320 VanDerWaalsContact O-CA 3.29Å; K316-S320 WeakPolarHBondContact O-CA 3.47Å; K316-S320 PolarHBondContact O-N 2.9Å
317I98.5Very high98.4Very high33 Ų3332.4 Ų32.417%0.16918%0.182CC..Hα-helixtrans-63.7-44.2179.3-70.5165.7000111I147 P183 I185 V198 E313 V314 T319 P324I147-I317 HydrophobicContact CD1-CB 3.94Å; I147-I317 HydrophobicContact CD1-CG2 3.62Å; I147-I317 HydrophobicContact CG1-CG2 3.99Å; P183-I317 HydrophobicContact CB-CD1 4.12Å; P183-I317 HydrophobicContact CB-CG2 4.03Å; P183-I317 HydrophobicContact CG-CG2 3.8Å; I185-I317 HydrophobicContact CD1-CD1 3.66Å; I185-I317 HydrophobicContact CG1-CD1 4.12Å; V198-I317 HydrophobicContact CG1-CD1 3.66Å; E313-I317 WeakPolarHBondContact O-CB 3.29Å; E313-I317 WeakPolarHBondContact O-CG1 3.45Å; E313-I317 PolarHBondContact O-N 3.4Å; V314-I317 PolarHBondContact O-N 2.79Å; I317-T319 VanDerWaalsContact C-N 3.3Å; I317-T319 PolarHBondContact O-N 2.93Å; I317-P324 HydrophobicContact CG1-CB 4.06Å; I317-P324 HydrophobicContact CG1-CG 3.73Å
318A98.3Very high98.3Very high28 Ų2833.2 Ų33.223%0.23119%0.185CC..Hα-helixtrans-69.4-27.4-177.700000113.6L52 F79 I147 V314 F315L52-A318 HydrophobicContact CD1-CB 3.71Å; F79-A318 HydrophobicContact CE1-CB 3.72Å; F79-A318 HydrophobicContact CZ-CB 3.76Å; I147-A318 HydrophobicContact CD1-CB 3.73Å; V314-A318 WeakPolarHBondContact O-CB 3.29Å; V314-A318 PolarHBondContact O-N 2.7Å; F315-A318 PolarHBondContact O-N 2.75Å
319T98.2Very high98.3Very high22 Ų2232.1 Ų32.114%0.13517%0.173CC..Hα-helixtrans-115.4-12.3-168.665.20000114L31 L52 F315 K316 I317 A321L31-T319 HydrophobicContact CD2-CG2 3.66Å; L52-T319 HydrophobicContact CD1-CG2 4.03Å; L52-T319 HydrophobicContact CD2-CG2 4.01Å; F315-T319 HydrophobicContact CD2-CG2 4.08Å; F315-T319 HydrophobicContact CE1-CG2 4.33Å; F315-T319 HydrophobicContact CE2-CG2 3.82Å; F315-T319 HydrophobicContact CG-CG2 4.45Å; F315-T319 HydrophobicContact CZ-CG2 3.95Å; F315-T319 WeakPolarHBondContact O-CB 3.33Å; F315-T319 VanDerWaalsContact O-CG2 3.28Å; F315-T319 WeakPolarHBondContact O-CG2 3.37Å; F315-T319 PolarHBondContact O-N 2.79Å; F315-T319 VanDerWaalsContact O-N 3.07Å; F315-T319 PolarHBondContact O-OG1 3.42Å; K316-T319 PolarHBondContact O-N 3.46Å; I317-T319 VanDerWaalsContact C-N 3.3Å; I317-T319 PolarHBondContact O-N 2.93Å; T319-A321 PolarHBondContact O-N 2.97Å; T319-A321 WeakPolarHBondContact OG1-CB 3.35Å; T319-A321 PolarHBondContact OG1-N 2.78Å
320S98.4Very high98.3Very high36 Ų3633 Ų3325%0.25218%0.179SC..  trans5514.5-168.9-61.10000114.1H39 F42 K316 Y322H39-S320 WeakPolarHBondContact CB-O 3.39Å; H39-S320 PolarHBondContact N-O 2.78Å; F42-S320 WeakPolarHBondContact CB-O 3.45Å; K316-S320 VanDerWaalsContact O-CA 3.29Å; K316-S320 WeakPolarHBondContact O-CA 3.47Å; K316-S320 PolarHBondContact O-N 2.9Å; S320-Y322 PolarHBondContact O-N 2.87Å; S320-Y322 VanDerWaalsContact O-N 3.1Å
321A98.1Very high98.2Very high1 Ų133.5 Ų33.51%0.00818%0.181CC..SBendtrans-61.2-27.8-174.500000113.3F30 T38 F42 F315 T319F30-A321 HydrophobicContact CB-CB 4.36Å; T38-A321 WeakPolarHBondContact CA-O 3.46Å; F42-A321 HydrophobicContact CD2-CB 4.47Å; F42-A321 HydrophobicContact CE2-CB 4.24Å; F315-A321 HydrophobicContact CE1-CB 4.12Å; T319-A321 PolarHBondContact O-N 2.97Å; T319-A321 WeakPolarHBondContact OG1-CB 3.35Å; T319-A321 PolarHBondContact OG1-N 2.78Å
322Y98.7Very high98.2Very high92 Ų9235.6 Ų35.636%0.36119%0.191SC..SBendtrans-147.7162.8173.4-66.9-93.3000109.8F30 F37 S320F30-Y322 AromaticContact CD1-CE2 3.78Å; F30-Y322 HydrophobicContact CD1-CE2 3.78Å; F30-Y322 HydrophobicContact CE1-CE2 4.23Å; F37-Y322 HydrophobicContact CB-CD1 3.97Å; F37-Y322 HydrophobicContact CB-CE1 3.9Å; F37-Y322 WeakPolarHBondContact O-CD1 3.49Å; S320-Y322 PolarHBondContact O-N 2.87Å; S320-Y322 VanDerWaalsContact O-N 3.1Å
323I98.2Very high98.1Very high108 Ų10834.2 Ų34.255%0.55418%0.181SC*.PPolyproline II helixtrans-63.4128.9171.7-53.4171000109.2
324P98.4Very high98Very high37 Ų3738.4 Ų38.424%0.2421%0.208CC..PPolyproline II helixtrans-60156.5174.8-23.634.3000112.7V198 E313 I317 N326V198-P324 HydrophobicContact CG1-CB 4.48Å; E313-P324 WeakPolarHBondContact OE2-CA 3.28Å; I317-P324 HydrophobicContact CG1-CB 4.06Å; I317-P324 HydrophobicContact CG1-CG 3.73Å; P324-N326 PolarHBondContact O-N 2.94Å
325L98Very high97.8Very high22 Ų2245.5 Ų45.512%0.11525%0.246CC..PPolyproline II helixtrans-51.1125.1168.8168.565.3000109.3V198 E313 N327 L329 T341V198-L325 HydrophobicContact CG2-CB 4Å; V198-L325 HydrophobicContact CG2-CD2 4.4Å; V198-L325 HydrophobicContact CG2-CG 4.5Å; E313-L325 VanDerWaalsContact CD-CB 3.43Å; E313-L325 HydrophobicContact CG-CB 3.95Å; E313-L325 WeakPolarHBondContact OE2-CB 3.28Å; E313-L325 PolarHBondContact OE2-N 3.34Å; L325-N327 VanDerWaalsContact C-N 3.33Å; L325-N327 PolarHBondContact O-N 2.99Å; L325-L329 HydrophobicContact CD2-CB 3.9Å; L325-T341 HydrophobicContact CD1-CG2 3.37Å
326N97.3Very high97.7Very high76 Ų7647 Ų4741%0.40627%0.268SS..  trans-77.387.9178.5-163-4000110.5P324 Y328 F342 E343P324-N326 PolarHBondContact O-N 2.94Å; N326-Y328 PolarHBondContact O-N 3.16Å; N326-Y328 VanDerWaalsContact O-N 3.07Å; N326-F342 CarbonylContact O-C 3.58Å; N326-E343 PolarHBondContact ND2-OE2 3.02Å; N326-E343 WeakPolarHBondContact O-CA 3.45Å; N326-E343 WeakPolarHBondContact OD1-CG 3.16Å
327N95.5Very high97.6Very high3 Ų351.9 Ų51.92%0.01630%0.295CS..SBendtrans69.4-71.1178.7-158.5-85.7000117.4R197 V198 A205 L325 A344R197-N327 CarbonylContact C-O 3.51Å; R197-N327 WeakPolarHBondContact CA-O 3.42Å; R197-N327 VanDerWaalsContact CB-O 3.24Å; R197-N327 WeakPolarHBondContact CB-O 3.44Å; V198-N327 PolarHBondContact N-O 3.21Å; A205-N327 PolarHBondContact O-ND2 3.05Å; L325-N327 VanDerWaalsContact C-N 3.33Å; L325-N327 PolarHBondContact O-N 2.99Å; N327-A344 HydrophobicContact CB-CB 4.49Å; N327-A344 WeakPolarHBondContact OD1-CB 3.26Å
328Y97.9Very high97.6Very high17 Ų1756.4 Ų56.47%0.06731%0.311CS..EExtended strand (participates in β ladder)trans-130.8141.8-159.4-142.6-79.8000114.7N195 R197 L213 N326 V330 T341 F342N195-Y328 HydrophobicContact CB-CE1 3.8Å; N195-Y328 PolarHBondContact ND2-OH 2.87Å; R197-Y328 HydrophobicContact CB-CD2 4.06Å; R197-Y328 HydrophobicContact CB-CE2 4.34Å; L213-Y328 HydrophobicContact CD1-CE2 3.99Å; N326-Y328 PolarHBondContact O-N 3.16Å; N326-Y328 VanDerWaalsContact O-N 3.07Å; Y328-V330 HydrophobicContact CD1-CG2 3.97Å; Y328-V330 HydrophobicContact CE1-CG2 3.72Å; Y328-T341 VanDerWaalsContact O-CA 3.3Å; Y328-T341 WeakPolarHBondContact O-CA 3.47Å; Y328-F342 WeakPolarHBondContact CB-O 3.12Å; Y328-F342 AromaticContact CD1-CE1 3.6Å; Y328-F342 HydrophobicContact CD1-CE1 3.6Å; Y328-F342 AromaticContact CD1-CZ 3.76Å; Y328-F342 HydrophobicContact CD1-CZ 3.76Å; Y328-F342 HydrophobicContact CD2-CZ 4.33Å; Y328-F342 HydrophobicContact CE1-CE1 4.43Å; Y328-F342 HydrophobicContact CE1-CZ 4.45Å; Y328-F342 AromaticContact CG-CE1 3.88Å; Y328-F342 HydrophobicContact CG-CE1 3.88Å; Y328-F342 HydrophobicContact CG-CE2 4.38Å; Y328-F342 AromaticContact CG-CZ 3.69Å; Y328-F342 HydrophobicContact CG-CZ 3.69Å; Y328-F342 PolarHBondContact N-O 3.13Å; Y328-F342 VanDerWaalsContact N-O 3.09Å; Y328-F342 PolarHBondContact O-N 2.74Å; Y328-F342 VanDerWaalsContact O-N 3.08Å
329L98.5Very high97.6Very high21 Ų2159 Ų5911%0.1132%0.324CS..EExtended strand (participates in β ladder)trans-135.5135169-179.8150.1000110.3N195 A196 V309 L325 F331 Y340N195-L329 CarbonylContact C-O 3.53Å; N195-L329 WeakPolarHBondContact CA-O 3.24Å; N195-L329 VanDerWaalsContact CB-O 3.29Å; N195-L329 WeakPolarHBondContact CB-O 3.37Å; A196-L329 PolarHBondContact N-O 3.39Å; A196-L329 PolarHBondContact O-N 3Å; V309-L329 HydrophobicContact CG1-CD1 4.33Å; L325-L329 HydrophobicContact CD2-CB 3.9Å; L329-F331 HydrophobicContact CD2-CB 4.37Å; L329-Y340 CarbonylContact C-O 3.57Å; L329-Y340 WeakPolarHBondContact CA-O 3.18Å
330V98Very high97.6Very high52 Ų5263.9 Ų63.932%0.31534%0.34SS..EExtended strand (participates in β ladder)trans-111.3144.6169.2178.50000109.3Y328 T339 Y340Y328-V330 HydrophobicContact CD1-CG2 3.97Å; Y328-V330 HydrophobicContact CE1-CG2 3.72Å; V330-T339 CarbonylContact O-C 3.55Å; V330-T339 WeakPolarHBondContact O-CA 3.1Å; V330-T339 WeakPolarHBondContact O-CB 3.36Å; V330-Y340 PolarHBondContact N-O 3.43Å; V330-Y340 PolarHBondContact O-N 2.8Å
331F98.4Very high97.6Very high10 Ų1065.6 Ų65.64%0.04435%0.35CS..EExtended strand (participates in β ladder)trans-130141.2176.4170.4-102.4000110.8K193 G194 T302 V305 I306 L329 D333 L337 Y338 T339K193-F331 WeakPolarHBondContact CA-O 3.37Å; G194-F331 PolarHBondContact N-O 3.43Å; G194-F331 PolarHBondContact O-N 3.01Å; T302-F331 HydrophobicContact CG2-CD1 4.27Å; T302-F331 HydrophobicContact CG2-CE1 4.23Å; V305-F331 HydrophobicContact CB-CE1 4.38Å; V305-F331 HydrophobicContact CB-CZ 4.44Å; V305-F331 HydrophobicContact CG1-CD1 4.09Å; V305-F331 HydrophobicContact CG1-CD2 3.9Å; V305-F331 HydrophobicContact CG1-CE1 4.17Å; V305-F331 HydrophobicContact CG1-CE2 3.98Å; V305-F331 HydrophobicContact CG1-CG 3.94Å; V305-F331 HydrophobicContact CG1-CZ 4.1Å; V305-F331 HydrophobicContact CG2-CE1 4.4Å; V305-F331 HydrophobicContact CG2-CZ 4.08Å; I306-F331 HydrophobicContact CD1-CB 4Å; L329-F331 HydrophobicContact CD2-CB 4.37Å; F331-D333 HydrophobicContact CE1-CB 4.04Å; F331-D333 HydrophobicContact CE2-CB 4.41Å; F331-D333 HydrophobicContact CZ-CB 3.62Å; F331-L337 HydrophobicContact CE2-CD2 4.07Å; F331-L337 HydrophobicContact CZ-CD2 4.18Å; F331-Y338 CarbonylContact C-O 3.53Å; F331-Y338 WeakPolarHBondContact CA-O 3.37Å; F331-T339 HydrophobicContact CB-CG2 4.38Å; F331-T339 HydrophobicContact CD2-CG2 3.86Å
332N98Very high97.6Very high46 Ų4668.1 Ų68.125%0.24636%0.361CS..EExtended strand (participates in β ladder)trans-147.2127.8174.5-175.1-7.4000110.5F192 K193 V334 Y338F192-N332 WeakPolarHBondContact O-CA 3.28Å; F192-N332 PolarHBondContact O-OD1 2.92Å; K193-N332 HydrophobicContact CG-CB 4.46Å; N332-V334 WeakPolarHBondContact OD1-CB 3.38Å; N332-V334 WeakPolarHBondContact OD1-CG2 3.22Å; N332-V334 PolarHBondContact OD1-N 3.49Å; N332-Y338 HydrophobicContact CB-CD1 4.49Å; N332-Y338 PolarHBondContact N-O 3.39Å; N332-Y338 PolarHBondContact O-N 3.16Å
333D96.2Very high97.6Very high40 Ų4070 Ų7021%0.21437%0.373CS..  trans-117.721.2176.968-26.3000114.5F192 F331 G336 L337F192-D333 WeakPolarHBondContact CA-OD1 3.49Å; F192-D333 WeakPolarHBondContact CB-OD1 3.39Å; F192-D333 VanDerWaalsContact CD1-OD1 3.28Å; F192-D333 WeakPolarHBondContact CD1-OD1 3.48Å; F192-D333 PolarHBondContact O-N 3.11Å; F331-D333 HydrophobicContact CE1-CB 4.04Å; F331-D333 HydrophobicContact CE2-CB 4.41Å; F331-D333 HydrophobicContact CZ-CB 3.62Å; D333-G336 WeakPolarHBondContact CA-O 3.38Å; D333-L337 HydrophobicContact CB-CD2 3.74Å
334V96.8Very high97.5Very high100 Ų10065.3 Ų65.361%0.60635%0.35SS*.SBendtrans-71.6-37.4174.2177.90000112.2F192 N332F192-V334 HydrophobicContact CB-CG2 3.6Å; F192-V334 HydrophobicContact CD2-CG2 4.46Å; F192-V334 HydrophobicContact CG-CG2 4.42Å; N332-V334 WeakPolarHBondContact OD1-CB 3.38Å; N332-V334 WeakPolarHBondContact OD1-CG2 3.22Å; N332-V334 PolarHBondContact OD1-N 3.49Å
335D95.5Very high97.4Very high149 Ų14971.5 Ų71.580%0.79738%0.376SS*.SBendtrans-132.398.8178.2-170.62.9000109.5
336G95.9Very high97.4Very high54 Ų5474.3 Ų74.356%0.55739%0.385SS*.SBendtrans63-141-170.300000112D333D333-G336 WeakPolarHBondContact CA-O 3.38Å
337L97.3Very high97.2Very high143 Ų14373.2 Ų73.275%0.74938%0.377SS*.  trans-127.4117.9172.9-63.4173.3000108F331 D333F331-L337 HydrophobicContact CE2-CD2 4.07Å; F331-L337 HydrophobicContact CZ-CD2 4.18Å; D333-L337 HydrophobicContact CB-CD2 3.74Å
338Y98.1Very high97Very high127 Ų12781.7 Ų81.750%0.49842%0.416SS..EExtended strand (participates in β ladder)trans-121.4132.7179176-99.5000110.5F331 N332F331-Y338 CarbonylContact C-O 3.53Å; F331-Y338 WeakPolarHBondContact CA-O 3.37Å; N332-Y338 HydrophobicContact CB-CD1 4.49Å; N332-Y338 PolarHBondContact N-O 3.39Å; N332-Y338 PolarHBondContact O-N 3.16Å
339T98.4Very high96.7Very high83 Ų8386 Ų8651%0.50944%0.44SS..EExtended strand (participates in β ladder)trans-130.2148.2167.458.40000111.1V330 F331V330-T339 CarbonylContact O-C 3.55Å; V330-T339 WeakPolarHBondContact O-CA 3.1Å; V330-T339 WeakPolarHBondContact O-CB 3.36Å; F331-T339 HydrophobicContact CB-CG2 4.38Å; F331-T339 HydrophobicContact CD2-CG2 3.86Å
340Y98Very high96.4Very high124 Ų12485 Ų8549%0.48644%0.435SS..EExtended strand (participates in β ladder)trans-135.6127.2171.3-178.4-122.1000109.5L329 V330 F342L329-Y340 CarbonylContact C-O 3.57Å; L329-Y340 WeakPolarHBondContact CA-O 3.18Å; V330-Y340 PolarHBondContact N-O 3.43Å; V330-Y340 PolarHBondContact O-N 2.8Å; Y340-F342 AromaticContact CD1-CD1 3.58Å; Y340-F342 HydrophobicContact CD1-CD1 3.58Å; Y340-F342 HydrophobicContact CD1-CE1 4.19Å; Y340-F342 HydrophobicContact CD1-CG 4.41Å; Y340-F342 HydrophobicContact CE1-CB 3.88Å; Y340-F342 AromaticContact CE1-CD1 3.45Å; Y340-F342 HydrophobicContact CE1-CD1 3.45Å; Y340-F342 VanDerWaalsContact CE1-CD1 3.45Å; Y340-F342 HydrophobicContact CE1-CE1 4.25Å; Y340-F342 AromaticContact CE1-CG 3.86Å; Y340-F342 HydrophobicContact CE1-CG 3.86Å
341T98.5Very high96Very high72 Ų7283.4 Ų83.444%0.44243%0.426SS..EExtended strand (participates in β ladder)trans-117130.5-179.6-68.70000109L325 Y328L325-T341 HydrophobicContact CD1-CG2 3.37Å; Y328-T341 VanDerWaalsContact O-CA 3.3Å; Y328-T341 WeakPolarHBondContact O-CA 3.47Å
342F97.8Very high95.7Very high55 Ų5583.4 Ų83.424%0.24143%0.427CS..EExtended strand (participates in β ladder)trans-152.6154.6-179.768.4-82.7000110.8L213 N326 Y328 Y340 A344L213-F342 HydrophobicContact CD1-CZ 4.28Å; N326-F342 CarbonylContact O-C 3.58Å; Y328-F342 WeakPolarHBondContact CB-O 3.12Å; Y328-F342 AromaticContact CD1-CE1 3.6Å; Y328-F342 HydrophobicContact CD1-CE1 3.6Å; Y328-F342 AromaticContact CD1-CZ 3.76Å; Y328-F342 HydrophobicContact CD1-CZ 3.76Å; Y328-F342 HydrophobicContact CD2-CZ 4.33Å; Y328-F342 HydrophobicContact CE1-CE1 4.43Å; Y328-F342 HydrophobicContact CE1-CZ 4.45Å; Y328-F342 AromaticContact CG-CE1 3.88Å; Y328-F342 HydrophobicContact CG-CE1 3.88Å; Y328-F342 HydrophobicContact CG-CE2 4.38Å; Y328-F342 AromaticContact CG-CZ 3.69Å; Y328-F342 HydrophobicContact CG-CZ 3.69Å; Y328-F342 PolarHBondContact N-O 3.13Å; Y328-F342 VanDerWaalsContact N-O 3.09Å; Y328-F342 PolarHBondContact O-N 2.74Å; Y328-F342 VanDerWaalsContact O-N 3.08Å; Y340-F342 AromaticContact CD1-CD1 3.58Å; Y340-F342 HydrophobicContact CD1-CD1 3.58Å; Y340-F342 HydrophobicContact CD1-CE1 4.19Å; Y340-F342 HydrophobicContact CD1-CG 4.41Å; Y340-F342 HydrophobicContact CE1-CB 3.88Å; Y340-F342 AromaticContact CE1-CD1 3.45Å; Y340-F342 HydrophobicContact CE1-CD1 3.45Å; Y340-F342 VanDerWaalsContact CE1-CD1 3.45Å; Y340-F342 HydrophobicContact CE1-CE1 4.25Å; Y340-F342 AromaticContact CE1-CG 3.86Å; Y340-F342 HydrophobicContact CE1-CG 3.86Å; F342-A344 HydrophobicContact CD2-CB 4.44Å; F342-A344 HydrophobicContact CE2-CB 3.88Å
343E98.2Very high95.4Very high131 Ų13181.2 Ų81.261%0.61242%0.415SS*.  trans-84.7110.5171.1-179.4175.7173.300108.9N326N326-E343 PolarHBondContact ND2-OE2 3.02Å; N326-E343 WeakPolarHBondContact O-CA 3.45Å; N326-E343 WeakPolarHBondContact OD1-CG 3.16Å
344A97Very high95Very high10 Ų1080.3 Ų80.38%0.08341%0.412CS..  trans-71.3134.3173.500000110A205 T210 N327 F342 R346A205-A344 HydrophobicContact CB-CB 4.02Å; A205-A344 VanDerWaalsContact CB-O 3.29Å; A205-A344 WeakPolarHBondContact CB-O 3.45Å; T210-A344 HydrophobicContact CG2-CB 3.73Å; N327-A344 HydrophobicContact CB-CB 4.49Å; N327-A344 WeakPolarHBondContact OD1-CB 3.26Å; F342-A344 HydrophobicContact CD2-CB 4.44Å; F342-A344 HydrophobicContact CE2-CB 3.88Å; A344-R346 PolarHBondContact O-N 3.3Å
345E96.4Very high94.2Very high166 Ų16680.5 Ų80.578%0.77641%0.407SS*.  trans-67.5130.2179.4-169.9-177.217200111K347E345-K347 PolarHBondContact O-N 2.9Å
346R96.7Very high93.4Very high81 Ų8179.8 Ų79.831%0.30640%0.402SS..  trans-76112.3170.7-178.9-175.1171.4-165.94.4108.7G202 M203 A205 A344 E348 C353G202-R346 PolarHBondContact O-NH1 2.91Å; G202-R346 PolarHBondContact O-NH2 3.43Å; G202-R346 VanDerWaalsContact O-NH2 3.13Å; M203-R346 WeakPolarHBondContact O-CD 3.16Å; A205-R346 HydrophobicContact CB-CB 4.31Å; A344-R346 PolarHBondContact O-N 3.3Å; R346-E348 PolarHBondContact O-N 2.88Å; R346-C353 PolarHBondContact NH2-O 2.92Å
347K94.2Very high92.8Very high54 Ų5478.8 Ų78.824%0.23539%0.386CS..  trans-61.9121.1175.2-66.6178.7178.1163.90110.6C209 E212 E345 N349 C350C209-K347 WeakPolarHBondContact O-CE 3.32Å; C209-K347 PolarHBondContact O-NZ 3.3Å; C209-K347 VanDerWaalsContact O-NZ 3.09Å; E212-K347 IonicContact OE1-NZ 3.95Å; E212-K347 PolarHBondContact OE1-NZ 3.19Å; E345-K347 PolarHBondContact O-N 2.9Å; K347-N349 PolarHBondContact O-N 3.16Å; K347-C350 HydrophobicContact CB-CB 4.1Å; K347-C350 VanDerWaalsContact O-CB 3.27Å; K347-C350 WeakPolarHBondContact O-CB 3.48Å; K347-C350 PolarHBondContact O-N 3.02Å; K347-C350 VanDerWaalsContact O-N 3.09Å
348E91.5Very high92.4Very high181 Ų18173.2 Ų73.285%0.84636%0.356SS*.THydrogen-bonded Turntrans-60.9-32.5176.4-64-172.9163.500112.1R346 S354R346-E348 PolarHBondContact O-N 2.88Å; E348-S354 VanDerWaalsContact O-CB 3.25Å; E348-S354 WeakPolarHBondContact O-CB 3.19Å
349N90.3Very high92Very high107 Ų10772 Ų7257%0.57236%0.358SS*.THydrogen-bonded Turntrans-98.532.2175.867.9-16.7000112.6K347 Q358K347-N349 PolarHBondContact O-N 3.16Å; N349-Q358 PolarHBondContact O-NE2 3.4Å; N349-Q358 PolarHBondContact O-OE1 3.44Å
350C92.5Very high91.8Very high0 Ų068.1 Ų68.10%033%0.334CS..  trans-68.1124176-179.60000111.2C209 K347 A352 C353 S354 Q358C209-C350 VanDerWaalsContact SG-SG 3.67Å; K347-C350 HydrophobicContact CB-CB 4.1Å; K347-C350 VanDerWaalsContact O-CB 3.27Å; K347-C350 WeakPolarHBondContact O-CB 3.48Å; K347-C350 PolarHBondContact O-N 3.02Å; K347-C350 VanDerWaalsContact O-N 3.09Å; C350-A352 PolarHBondContact O-N 3.23Å; C350-C353 VanDerWaalsContact CB-SG 3.55Å; C350-C353 VanDerWaalsContact SG-SG 3.62Å; C350-S354 WeakPolarHBondContact O-CB 3.38Å; C350-S354 PolarHBondContact O-N 3.3Å; C350-S354 PolarHBondContact O-OG 3.34Å; C350-Q358 PolarHBondContact O-NE2 3.27Å
351P89.8Confident91.6Very high19 Ų1969.1 Ų69.112%0.12334%0.343CS..THydrogen-bonded Turntrans-61.3-15.1-179.730.7-41.5000114.3Q358 L381 V441P351-Q358 HydrophobicContact CB-CG 4.09Å; P351-L381 HydrophobicContact CB-CD2 3.65Å; P351-L381 HydrophobicContact CG-CD2 3.61Å; P351-V441 HydrophobicContact CB-CG1 4.06Å; P351-V441 VanDerWaalsContact O-CG1 3.26Å; P351-V441 WeakPolarHBondContact O-CG1 3.46Å
352A92.4Very high91.5Very high9 Ų966.9 Ų66.97%0.07433%0.328CS..THydrogen-bonded Turntrans-100.5-56.5178.500000113.6I166 E208 C350 Q439I166-A352 HydrophobicContact CD1-CB 3.77Å; I166-A352 WeakPolarHBondContact CG2-O 3.24Å; E208-A352 HydrophobicContact CB-CB 3.99Å; E208-A352 HydrophobicContact CG-CB 3.5Å; E208-A352 VanDerWaalsContact CG-CB 3.5Å; C350-A352 PolarHBondContact O-N 3.23Å; A352-Q439 VanDerWaalsContact CB-NE2 3.26Å; A352-Q439 PolarHBondContact O-NE2 3.3Å
353C92.6Very high91.4Very high0 Ų066 Ų660%033%0.328CS..THydrogen-bonded Turntrans-99.22.1-171.468.40000114.5I166 C206 R346 C350I166-C353 HydrophobicContact CD1-CB 3.86Å; I166-C353 HydrophobicContact CG1-CB 4.42Å; C206-C353 HydrophobicContact CB-CB 4.26Å; C206-C353 VanDerWaalsContact SG-SG 3.61Å; R346-C353 PolarHBondContact NH2-O 2.92Å; C350-C353 VanDerWaalsContact CB-SG 3.55Å; C350-C353 VanDerWaalsContact SG-SG 3.62Å
354S87.3Confident91.2Very high21 Ų2161.5 Ų61.515%0.14731%0.31CS..  trans-76.7134.1168.972.10000109.6E348 C350 L356 Q358E348-S354 VanDerWaalsContact O-CB 3.25Å; E348-S354 WeakPolarHBondContact O-CB 3.19Å; C350-S354 WeakPolarHBondContact O-CB 3.38Å; C350-S354 PolarHBondContact O-N 3.3Å; C350-S354 PolarHBondContact O-OG 3.34Å; S354-L356 PolarHBondContact O-N 3.34Å; S354-L356 PolarHBondContact OG-O 2.92Å; S354-Q358 PolarHBondContact OG-NE2 3.25Å
355Q80.2Confident91.2Very high105 Ų10565 Ų6549%0.49133%0.334SS..SBendtrans-72.8-11.4172.7-68.6-57.7-61.300113.2Y171Y171-Q355 HydrophobicContact CD1-CG 4.02Å; Y171-Q355 HydrophobicContact CE1-CG 3.54Å; Y171-Q355 HydrophobicContact CE2-CG 4.21Å; Y171-Q355 PolarHBondContact OH-NE2 2.85Å; Y171-Q355 VanDerWaalsContact OH-NE2 3.09Å
356L79.1Confident91.2Very high134 Ų13457.3 Ų57.370%0.70230%0.299SS*.SBendtrans-98140.3-178-59178.1000110.7S354S354-L356 PolarHBondContact O-N 3.34Å; S354-L356 PolarHBondContact OG-O 2.92Å
357P82.7Confident91.2Very high33 Ų3358.3 Ų58.321%0.21431%0.306CS..PPolyproline II helixtrans-55143167.5-24.433.5000111.5N359 L442 K444P357-N359 PolarHBondContact O-N 3.42Å; P357-L442 CarbonylContact C-O 3.57Å; P357-L442 VanDerWaalsContact CA-O 3.31Å; P357-L442 WeakPolarHBondContact CA-O 3.21Å; P357-L442 HydrophobicContact CB-CB 3.97Å; P357-L442 HydrophobicContact CG-CB 4.15Å; P357-K444 HydrophobicContact CB-CB 4.14Å
358Q88.7Confident91.4Very high26 Ų2655.8 Ų55.812%0.12130%0.295CS..EExtended strand (participates in β ladder)trans-75.6121.8179.4-70.1-61.4-48.600110.8N349 C350 P351 S354 I360 L442 F443 K444N349-Q358 PolarHBondContact O-NE2 3.4Å; N349-Q358 PolarHBondContact O-OE1 3.44Å; C350-Q358 PolarHBondContact O-NE2 3.27Å; P351-Q358 HydrophobicContact CB-CG 4.09Å; S354-Q358 PolarHBondContact OG-NE2 3.25Å; Q358-I360 PolarHBondContact O-N 3.45Å; Q358-L442 PolarHBondContact N-O 3.16Å; Q358-F443 HydrophobicContact CB-CD1 3.41Å; Q358-F443 VanDerWaalsContact CB-CD1 3.41Å; Q358-F443 HydrophobicContact CB-CE1 3.61Å; Q358-F443 HydrophobicContact CB-CG 4.22Å; Q358-F443 HydrophobicContact CG-CD1 4.38Å; Q358-F443 HydrophobicContact CG-CE1 4.15Å; Q358-F443 CarbonylContact O-C 3.55Å; Q358-F443 WeakPolarHBondContact O-CA 3.21Å; Q358-K444 PolarHBondContact O-N 3.43Å
359N90.3Very high91.7Very high100 Ų10050.3 Ų50.354%0.53527%0.269SS..EExtended strand (participates in β ladder)trans-72.5125.9176.8-66.9-46.5000110.4P357 K444 H446P357-N359 PolarHBondContact O-N 3.42Å; N359-K444 WeakPolarHBondContact CA-O 3.16Å; N359-H446 PolarHBondContact OD1-CD2 2.95Å; N359-H446 PolarHBondContact OD1-NE2 3.26Å
360I93.2Very high92Very high3 Ų349.5 Ų49.52%0.01526%0.262CS..EExtended strand (participates in β ladder)trans-120.5139.8173.256.7173.9000110.2Q358 F362 V371 Y374 L430 F443 K444 L445 H446Q358-I360 PolarHBondContact O-N 3.45Å; I360-F362 HydrophobicContact CB-CD2 4.24Å; I360-F362 HydrophobicContact CB-CE2 4.03Å; I360-F362 HydrophobicContact CD1-CD2 4.28Å; I360-F362 HydrophobicContact CD1-CE2 4.15Å; I360-F362 HydrophobicContact CG1-CD2 4.38Å; I360-F362 HydrophobicContact CG1-CE2 4.43Å; I360-V371 HydrophobicContact CD1-CG1 4.36Å; I360-Y374 HydrophobicContact CG2-CD1 4.38Å; I360-Y374 HydrophobicContact CG2-CE1 3.6Å; I360-L430 HydrophobicContact CD1-CD1 3.98Å; I360-F443 HydrophobicContact CD1-CB 4.01Å; I360-F443 HydrophobicContact CG1-CB 4.32Å; I360-F443 HydrophobicContact CG2-CD1 3.58Å; I360-F443 HydrophobicContact CG2-CE1 4.25Å; I360-F443 HydrophobicContact CG2-CG 4.46Å; I360-K444 PolarHBondContact N-O 2.94Å; I360-L445 HydrophobicContact CD1-CD1 4.13Å; I360-L445 HydrophobicContact CG1-CD1 4.09Å; I360-H446 PolarHBondContact O-N 3.18Å
361Q94.6Very high92.2Very high144 Ų14449.6 Ų49.667%0.67326%0.262SS*.EExtended strand (participates in β ladder)trans-113.8118.1-175.5-69.21797.900109.7H446 T448Q361-H446 WeakPolarHBondContact CA-O 3.31Å; Q361-H446 HydrophobicContact CG-CB 4.35Å; Q361-T448 HydrophobicContact CB-CG2 3.85Å; Q361-T448 HydrophobicContact CG-CG2 4.31Å
362F96.1Very high92.5Very high26 Ų2649.1 Ų49.111%0.11426%0.259CS..EExtended strand (participates in β ladder)trans-138.7153.7176.6-75.5-86.5000109.8I360 A366 E370 V371 Y374 L419 L445 H446 F447 T448I360-F362 HydrophobicContact CB-CD2 4.24Å; I360-F362 HydrophobicContact CB-CE2 4.03Å; I360-F362 HydrophobicContact CD1-CD2 4.28Å; I360-F362 HydrophobicContact CD1-CE2 4.15Å; I360-F362 HydrophobicContact CG1-CD2 4.38Å; I360-F362 HydrophobicContact CG1-CE2 4.43Å; F362-A366 HydrophobicContact CB-CB 4.2Å; F362-A366 HydrophobicContact CD1-CB 4.06Å; F362-E370 HydrophobicContact CE1-CB 4.22Å; F362-V371 HydrophobicContact CD1-CG2 4.18Å; F362-V371 HydrophobicContact CD2-CG2 4.05Å; F362-V371 HydrophobicContact CE1-CG2 4.11Å; F362-V371 HydrophobicContact CE2-CB 4.5Å; F362-V371 HydrophobicContact CE2-CG1 4.45Å; F362-V371 HydrophobicContact CE2-CG2 3.97Å; F362-V371 HydrophobicContact CG-CG2 4.16Å; F362-V371 HydrophobicContact CZ-CB 4.37Å; F362-V371 HydrophobicContact CZ-CG2 4.02Å; F362-Y374 HydrophobicContact CE2-CD1 4.34Å; F362-Y374 HydrophobicContact CE2-CG 4.49Å; F362-Y374 HydrophobicContact CZ-CD1 4.22Å; F362-Y374 AromaticContact CZ-CG 3.95Å; F362-Y374 HydrophobicContact CZ-CG 3.95Å; F362-L419 HydrophobicContact CB-CD1 3.67Å; F362-L419 HydrophobicContact CG-CD1 4.31Å; F362-L445 HydrophobicContact CB-CD1 4.26Å; F362-L445 HydrophobicContact CD2-CD1 4.21Å; F362-H446 PolarHBondContact N-O 3.16Å; F362-H446 VanDerWaalsContact N-O 3.11Å; F362-F447 CarbonylContact O-C 3.53Å; F362-F447 VanDerWaalsContact O-CA 3.28Å; F362-F447 WeakPolarHBondContact O-CA 3.46Å; F362-T448 VanDerWaalsContact C-OG1 3.3Å; F362-T448 PolarHBondContact O-N 3.36Å; F362-T448 PolarHBondContact O-OG1 3.02Å
363S95.3Very high92.7Very high36 Ų3651.9 Ų51.925%0.25227%0.272SS..  trans-71.9146.5167.8-179.80000109.3S365 A366 T448S363-S365 PolarHBondContact O-N 2.86Å; S363-S365 VanDerWaalsContact O-N 3.09Å; S363-S365 PolarHBondContact OG-OG 2.57Å; S363-A366 WeakPolarHBondContact O-CB 3.33Å; S363-A366 PolarHBondContact O-N 3Å; S363-T448 PolarHBondContact N-OG1 3.08Å
364P94.7Very high92.9Very high36 Ų3656 Ų5623%0.23429%0.289CS..THydrogen-bonded Turntrans-59.6-20.9174.323.7-34.5000113.3K420 F447 T448P364-K420 HydrophobicContact CB-CB 4.33Å; P364-K420 WeakPolarHBondContact O-CB 3.45Å; P364-K420 PolarHBondContact O-N 3.49Å; P364-K420 VanDerWaalsContact O-N 3.09Å; P364-F447 HydrophobicContact CB-CD1 4.15Å; P364-F447 HydrophobicContact CB-CD2 4.07Å; P364-F447 HydrophobicContact CB-CE1 4.24Å; P364-F447 HydrophobicContact CB-CE2 4.17Å; P364-F447 HydrophobicContact CB-CG 4.09Å; P364-F447 HydrophobicContact CB-CZ 4.26Å; P364-T448 VanDerWaalsContact CD-O 3.28Å; P364-T448 WeakPolarHBondContact CD-O 3.28Å
365S96.1Very high93.2Very high83 Ų8355.1 Ų55.158%0.5828%0.282SS*.THydrogen-bonded Turntrans-86.9-3.5173.655.80000114.5S363 T418S363-S365 PolarHBondContact O-N 2.86Å; S363-S365 VanDerWaalsContact O-N 3.09Å; S363-S365 PolarHBondContact OG-OG 2.57Å; S365-T418 VanDerWaalsContact O-CG2 3.23Å; S365-T418 WeakPolarHBondContact O-CG2 3.42Å
366A96.8Very high93.9Very high6 Ų652.2 Ų52.25%0.0527%0.272CS..SBendtrans-64.2145.8173.500000110.1F362 S363 E370 T418 L419F362-A366 HydrophobicContact CB-CB 4.2Å; F362-A366 HydrophobicContact CD1-CB 4.06Å; S363-A366 WeakPolarHBondContact O-CB 3.33Å; S363-A366 PolarHBondContact O-N 3Å; A366-E370 WeakPolarHBondContact CA-OE1 3.28Å; A366-T418 CarbonylContact O-C 3.59Å; A366-T418 WeakPolarHBondContact O-CA 3.44Å; A366-L419 HydrophobicContact CB-CD1 4.36Å; A366-L419 WeakPolarHBondContact O-CG 3.36Å; A366-L419 PolarHBondContact O-N 3.19Å
367K97.6Very high94.6Very high102 Ų10251.5 Ų51.544%0.44327%0.269SS..BIsolated β-bridgetrans-81.1152.5176.2-66.9-179.9179177.30111.1Q369 E370 K417K367-Q369 PolarHBondContact O-N 3.29Å; K367-E370 HydrophobicContact CB-CG 4.42Å; K367-E370 PolarHBondContact N-OE1 3.13Å; K367-E370 WeakPolarHBondContact O-CB 3.49Å; K367-E370 PolarHBondContact O-N 2.9Å; K367-K417 WeakPolarHBondContact CA-O 3.44Å
368L97.5Very high95Very high1 Ų151 Ų511%0.00527%0.266CS..Hα-helixtrans-59.3-30174.3-178.467.1000112.4E370 V371 L372 I388 L399 N414 L415 K417 L419 L422L368-E370 VanDerWaalsContact C-N 3.25Å; L368-E370 PolarHBondContact O-N 2.97Å; L368-V371 PolarHBondContact O-N 3.44Å; L368-L372 PolarHBondContact O-N 3.3Å; L368-I388 HydrophobicContact CD1-CD1 4Å; L368-L399 HydrophobicContact CD1-CD1 4.34Å; L368-L399 HydrophobicContact CD2-CB 3.84Å; L368-N414 HydrophobicContact CD2-CB 4.09Å; L368-L415 HydrophobicContact CD2-CD2 4.25Å; L368-L415 HydrophobicContact CG-CD2 4.26Å; L368-K417 PolarHBondContact N-O 2.82Å; L368-L419 HydrophobicContact CD1-CD2 4.43Å; L368-L422 HydrophobicContact CB-CD1 3.78Å; L368-L422 HydrophobicContact CD1-CD1 4.32Å; L368-L422 HydrophobicContact CD2-CD1 3.86Å; L368-L422 HydrophobicContact CG-CD1 4.2Å
369Q97.4Very high94.9Very high65 Ų6552.6 Ų52.630%0.30428%0.284SS..Hα-helixtrans-56.2-38.6171.8-172.964.452.300112.5K367 V371 L372 D373 L415K367-Q369 PolarHBondContact O-N 3.29Å; Q369-V371 VanDerWaalsContact C-N 3.31Å; Q369-V371 PolarHBondContact O-N 2.89Å; Q369-L372 WeakPolarHBondContact O-CB 3.44Å; Q369-L372 PolarHBondContact O-N 3.43Å; Q369-D373 PolarHBondContact NE2-OD1 2.83Å; Q369-D373 WeakPolarHBondContact O-CB 3.49Å; Q369-D373 PolarHBondContact O-N 3.47Å; Q369-L415 HydrophobicContact CB-CB 4.41Å; Q369-L415 WeakPolarHBondContact CB-O 3.25Å; Q369-L415 PolarHBondContact N-O 3.38Å
370E97Very high94.8Very high91 Ų9149.8 Ų49.843%0.42527%0.272SS..Hα-helixtrans-66.5-35.7-179.9-62.4173.1-115.400111.3F362 A366 K367 L368 Y374F362-E370 HydrophobicContact CE1-CB 4.22Å; A366-E370 WeakPolarHBondContact CA-OE1 3.28Å; K367-E370 HydrophobicContact CB-CG 4.42Å; K367-E370 PolarHBondContact N-OE1 3.13Å; K367-E370 WeakPolarHBondContact O-CB 3.49Å; K367-E370 PolarHBondContact O-N 2.9Å; L368-E370 VanDerWaalsContact C-N 3.25Å; L368-E370 PolarHBondContact O-N 2.97Å; E370-Y374 WeakPolarHBondContact O-CB 3.17Å; E370-Y374 PolarHBondContact O-N 3.42Å
371V96.6Very high94.6Very high1 Ų149.9 Ų49.91%0.00627%0.272CS..Hα-helixtrans-67.2-43.7173-177.10000110.6I360 F362 L368 Q369 D373 Y374 L375 I388 L419I360-V371 HydrophobicContact CD1-CG1 4.36Å; F362-V371 HydrophobicContact CD1-CG2 4.18Å; F362-V371 HydrophobicContact CD2-CG2 4.05Å; F362-V371 HydrophobicContact CE1-CG2 4.11Å; F362-V371 HydrophobicContact CE2-CB 4.5Å; F362-V371 HydrophobicContact CE2-CG1 4.45Å; F362-V371 HydrophobicContact CE2-CG2 3.97Å; F362-V371 HydrophobicContact CG-CG2 4.16Å; F362-V371 HydrophobicContact CZ-CB 4.37Å; F362-V371 HydrophobicContact CZ-CG2 4.02Å; L368-V371 PolarHBondContact O-N 3.44Å; Q369-V371 VanDerWaalsContact C-N 3.31Å; Q369-V371 PolarHBondContact O-N 2.89Å; V371-D373 VanDerWaalsContact C-N 3.35Å; V371-D373 PolarHBondContact O-N 2.86Å; V371-Y374 WeakPolarHBondContact O-CB 3.31Å; V371-Y374 PolarHBondContact O-N 3Å; V371-L375 HydrophobicContact CG1-CD1 4.35Å; V371-L375 WeakPolarHBondContact O-CG 3.39Å; V371-L375 PolarHBondContact O-N 3.03Å; V371-I388 HydrophobicContact CG1-CD1 4.18Å; V371-L419 HydrophobicContact CG2-CD1 4.18Å; V371-L419 HydrophobicContact CG2-CD2 3.84Å
372L96.5Very high94.3Very high9 Ų947 Ų475%0.04726%0.258CS..Hα-helixtrans-61.2-44.3177.2-167.775.1000111.8L368 Q369 Y374 L375 T376 P386 I388 Y400 L415L368-L372 PolarHBondContact O-N 3.3Å; Q369-L372 WeakPolarHBondContact O-CB 3.44Å; Q369-L372 PolarHBondContact O-N 3.43Å; L372-Y374 VanDerWaalsContact C-N 3.33Å; L372-L375 PolarHBondContact O-N 3.02Å; L372-T376 WeakPolarHBondContact O-CB 3.46Å; L372-T376 PolarHBondContact O-N 3.42Å; L372-T376 PolarHBondContact O-OG1 3.49Å; L372-P386 HydrophobicContact CD1-CB 4.44Å; L372-P386 HydrophobicContact CD1-CG 3.77Å; L372-I388 HydrophobicContact CD1-CD1 4.05Å; L372-I388 HydrophobicContact CD1-CG1 4.47Å; L372-Y400 HydrophobicContact CD1-CD1 3.79Å; L372-Y400 HydrophobicContact CD1-CE1 4.21Å; L372-Y400 HydrophobicContact CD2-CD1 3.79Å; L372-Y400 HydrophobicContact CD2-CE1 3.54Å; L372-Y400 HydrophobicContact CG-CD1 4.45Å; L372-L415 HydrophobicContact CD2-CD2 3.98Å
373D96.1Very high94.1Very high68 Ų6846.1 Ų46.136%0.36426%0.255SS..Hα-helixtrans-65.1-38.3178.1-67.8-17.1000110.9Q369 V371 T376 N377Q369-D373 PolarHBondContact NE2-OD1 2.83Å; Q369-D373 WeakPolarHBondContact O-CB 3.49Å; Q369-D373 PolarHBondContact O-N 3.47Å; V371-D373 VanDerWaalsContact C-N 3.35Å; V371-D373 PolarHBondContact O-N 2.86Å; D373-T376 PolarHBondContact O-N 3.44Å; D373-N377 WeakPolarHBondContact O-CB 3.37Å; D373-N377 PolarHBondContact O-N 3.38Å; D373-N377 PolarHBondContact O-ND2 2.94Å
374Y96.2Very high93.9Very high87 Ų8749.1 Ų49.134%0.34126%0.263SS..Hα-helixtrans-61.5-49173.7169.6-101.5000112I360 F362 E370 V371 L372 T376 S378 L381I360-Y374 HydrophobicContact CG2-CD1 4.38Å; I360-Y374 HydrophobicContact CG2-CE1 3.6Å; F362-Y374 HydrophobicContact CE2-CD1 4.34Å; F362-Y374 HydrophobicContact CE2-CG 4.49Å; F362-Y374 HydrophobicContact CZ-CD1 4.22Å; F362-Y374 AromaticContact CZ-CG 3.95Å; F362-Y374 HydrophobicContact CZ-CG 3.95Å; E370-Y374 WeakPolarHBondContact O-CB 3.17Å; E370-Y374 PolarHBondContact O-N 3.42Å; V371-Y374 WeakPolarHBondContact O-CB 3.31Å; V371-Y374 PolarHBondContact O-N 3Å; L372-Y374 VanDerWaalsContact C-N 3.33Å; Y374-T376 VanDerWaalsContact C-N 3.25Å; Y374-T376 PolarHBondContact O-N 3.47Å; Y374-S378 WeakPolarHBondContact O-CB 3.23Å; Y374-S378 PolarHBondContact O-N 3.47Å; Y374-L381 HydrophobicContact CD1-CD1 4.37Å; Y374-L381 HydrophobicContact CE1-CD1 3.8Å
375L95.3Very high93.8Very high1 Ų149.7 Ų49.71%0.00527%0.269CS..Hα-helixtrans-61.4-36.3178.9-65.7172.3000112.1V371 L372 L381 M383 P386 I388 V432 F443V371-L375 HydrophobicContact CG1-CD1 4.35Å; V371-L375 WeakPolarHBondContact O-CG 3.39Å; V371-L375 PolarHBondContact O-N 3.03Å; L372-L375 PolarHBondContact O-N 3.02Å; L375-L381 HydrophobicContact CD2-CD1 3.79Å; L375-M383 HydrophobicContact CB-SD 4.07Å; L375-M383 HydrophobicContact CD2-SD 4.26Å; L375-M383 WeakPolarHBondContact O-CB 3.19Å; L375-M383 PolarHBondContact O-N 2.84Å; L375-M383 VanDerWaalsContact O-N 3.1Å; L375-P386 HydrophobicContact CB-CB 4.33Å; L375-P386 HydrophobicContact CB-CG 4.04Å; L375-P386 HydrophobicContact CD1-CB 4.24Å; L375-I388 HydrophobicContact CD1-CD1 3.88Å; L375-I388 HydrophobicContact CD1-CG1 4.06Å; L375-V432 HydrophobicContact CD1-CG1 3.99Å; L375-V432 HydrophobicContact CD1-CG2 3.95Å; L375-F443 HydrophobicContact CD2-CD1 4.43Å; L375-F443 HydrophobicContact CD2-CD2 4.34Å; L375-F443 HydrophobicContact CD2-CE1 3.88Å; L375-F443 HydrophobicContact CD2-CE2 3.76Å; L375-F443 HydrophobicContact CD2-CZ 3.51Å
376T94.3Very high93.7Very high45 Ų4545.8 Ų45.828%0.27624%0.241SC..Hα-helixtrans-79.1-42.5-177.6-52.90000112.4L372 D373 Y374L372-T376 WeakPolarHBondContact O-CB 3.46Å; L372-T376 PolarHBondContact O-N 3.42Å; L372-T376 PolarHBondContact O-OG1 3.49Å; D373-T376 PolarHBondContact O-N 3.44Å; Y374-T376 VanDerWaalsContact C-N 3.25Å; Y374-T376 PolarHBondContact O-N 3.47Å
377N92.9Very high93.7Very high119 Ų11946 Ų4664%0.63624%0.243SC*.Hα-helixtrans-101.1-16.1-169.5-59.8-53000114.2D373 A379D373-N377 WeakPolarHBondContact O-CB 3.37Å; D373-N377 PolarHBondContact O-N 3.38Å; D373-N377 PolarHBondContact O-ND2 2.94Å; N377-A379 PolarHBondContact O-N 3.47Å
378S91.1Very high93.7Very high23 Ų2341.1 Ų41.116%0.16122%0.221CC..  trans-59.3127.3177.31770000110.2Y374 S380 L381 Q382Y374-S378 WeakPolarHBondContact O-CB 3.23Å; Y374-S378 PolarHBondContact O-N 3.47Å; S378-S380 PolarHBondContact O-N 3.11Å; S378-S380 VanDerWaalsContact O-N 3.13Å; S378-S380 PolarHBondContact OG-OG 2.72Å; S378-S380 VanDerWaalsContact OG-OG 3.04Å; S378-L381 PolarHBondContact O-N 2.92Å; S378-Q382 WeakPolarHBondContact O-CG 3.48Å; S378-Q382 PolarHBondContact O-N 3.25Å
379A87.7Confident93.7Very high59 Ų5943.2 Ų43.249%0.48823%0.234SC..THydrogen-bonded Turntrans-59-27.7-178.800000112.8N377 Q382N377-A379 PolarHBondContact O-N 3.47Å; A379-Q382 WeakPolarHBondContact O-CG 3.47Å; A379-Q382 PolarHBondContact O-NE2 2.99Å
380S87.1Confident93.6Very high41 Ų4140.3 Ų40.329%0.28722%0.221SC..THydrogen-bonded Turntrans-82.4-15.5178.762.40000114.3S378S378-S380 PolarHBondContact O-N 3.11Å; S378-S380 VanDerWaalsContact O-N 3.13Å; S378-S380 PolarHBondContact OG-OG 2.72Å; S378-S380 VanDerWaalsContact OG-OG 3.04Å
381L89.4Confident93.5Very high5 Ų539.5 Ų39.53%0.02622%0.223CC..THydrogen-bonded Turntrans-116.1-52.8-174.6-57.2-179.3000112.3R159 P351 Y374 L375 S378 M383 F443R159-L381 PolarHBondContact NH1-O 2.94Å; R159-L381 PolarHBondContact NH2-O 3.33Å; P351-L381 HydrophobicContact CB-CD2 3.65Å; P351-L381 HydrophobicContact CG-CD2 3.61Å; Y374-L381 HydrophobicContact CD1-CD1 4.37Å; Y374-L381 HydrophobicContact CE1-CD1 3.8Å; L375-L381 HydrophobicContact CD2-CD1 3.79Å; S378-L381 PolarHBondContact O-N 2.92Å; L381-M383 PolarHBondContact O-N 2.95Å; L381-M383 VanDerWaalsContact O-N 3.11Å; L381-F443 HydrophobicContact CD1-CE1 3.98Å; L381-F443 HydrophobicContact CD1-CZ 3.99Å; L381-F443 HydrophobicContact CD2-CE1 4.44Å; L381-F443 HydrophobicContact CD2-CZ 4.28Å
382Q88.6Confident93.2Very high82 Ų8240.2 Ų40.238%0.38323%0.227SC..  trans44.444.9178.7-52.2-178.29.200113.8R159 L211 S378 A379R159-Q382 PolarHBondContact NH1-O 3.5Å; L211-Q382 HydrophobicContact CD2-CB 4.3Å; L211-Q382 HydrophobicContact CD2-CG 4.33Å; S378-Q382 WeakPolarHBondContact O-CG 3.48Å; S378-Q382 PolarHBondContact O-N 3.25Å; A379-Q382 WeakPolarHBondContact O-CG 3.47Å; A379-Q382 PolarHBondContact O-NE2 2.99Å
383M92.8Very high92.8Very high8 Ų849.1 Ų49.14%0.03927%0.268CS..  trans-66.5147.2179.4-68.4-178.4169.900110.4L375 L381 P386 V432 D434 V441 F443L375-M383 HydrophobicContact CB-SD 4.07Å; L375-M383 HydrophobicContact CD2-SD 4.26Å; L375-M383 WeakPolarHBondContact O-CB 3.19Å; L375-M383 PolarHBondContact O-N 2.84Å; L375-M383 VanDerWaalsContact O-N 3.1Å; L381-M383 PolarHBondContact O-N 2.95Å; L381-M383 VanDerWaalsContact O-N 3.11Å; M383-P386 HydrophobicContact CB-CB 4.07Å; M383-P386 HydrophobicContact CB-CG 4Å; M383-P386 HydrophobicContact SD-CB 3.87Å; M383-V432 HydrophobicContact CE-CG1 3.98Å; M383-V432 HydrophobicContact SD-CG1 3.6Å; M383-D434 WeakPolarHBondContact CA-OD2 3.39Å; M383-D434 HydrophobicContact CB-CB 4.27Å; M383-D434 HydrophobicContact CG-CB 4.22Å; M383-D434 HydrophobicContact SD-CB 4.28Å; M383-V441 HydrophobicContact CE-CB 4.34Å; M383-V441 HydrophobicContact CE-CG2 4.26Å; M383-F443 HydrophobicContact CE-CE2 4.06Å; M383-F443 HydrophobicContact CE-CZ 4.09Å
384K90.1Very high92.4Very high99 Ų9949.3 Ų49.343%0.4329%0.286SS..SBendtrans-88.5-45.4-173.7-75.8-63.3-174.5-168.40113.4I156 D434 V435 T436I156-K384 HydrophobicContact CD1-CG 4.44Å; K384-D434 PolarHBondContact N-OD1 2.87Å; K384-D434 PolarHBondContact N-OD2 2.68Å; K384-V435 HydrophobicContact CB-CG2 3.59Å; K384-V435 HydrophobicContact CG-CG2 4.33Å; K384-T436 HydrophobicContact CB-CG2 4.23Å; K384-T436 HydrophobicContact CG-CG2 3.75Å
385S92Very high92.2Very high49 Ų4952.8 Ų52.834%0.34330%0.303SS..SBendtrans-150.763.8-178.8-57.10000109.6D434S385-D434 WeakPolarHBondContact CA-OD1 3.45Å; S385-D434 PolarHBondContact N-OD1 2.76Å
386P95.8Very high92Very high0 Ų059.1 Ų59.10%034%0.337CS..  trans-62.6140.7-17222-30.4000112.1L372 L375 M383 Q402 V432 A433L372-P386 HydrophobicContact CD1-CB 4.44Å; L372-P386 HydrophobicContact CD1-CG 3.77Å; L375-P386 HydrophobicContact CB-CB 4.33Å; L375-P386 HydrophobicContact CB-CG 4.04Å; L375-P386 HydrophobicContact CD1-CB 4.24Å; M383-P386 HydrophobicContact CB-CB 4.07Å; M383-P386 HydrophobicContact CB-CG 4Å; M383-P386 HydrophobicContact SD-CB 3.87Å; P386-Q402 PolarHBondContact O-NE2 3.38Å; P386-V432 HydrophobicContact CB-CG1 3.94Å; P386-A433 WeakPolarHBondContact CA-O 3.33Å
387A96.5Very high92Very high10 Ų1064.3 Ų64.38%0.08335%0.351CS..EExtended strand (participates in β ladder)trans-110.7127.1174.500000109.4Y400 L401 V432 A433A387-Y400 CarbonylContact C-O 3.45Å; A387-Y400 WeakPolarHBondContact CA-O 3.45Å; A387-L401 HydrophobicContact CB-CD1 3.31Å; A387-V432 VanDerWaalsContact O-CA 3.22Å; A387-V432 WeakPolarHBondContact O-CA 3.34Å; A387-A433 HydrophobicContact CB-CB 4.47Å; A387-A433 PolarHBondContact N-O 3.46Å; A387-A433 PolarHBondContact O-N 3.36Å
388I97.4Very high92.2Very high0 Ų061.4 Ų61.40%034%0.338CS..EExtended strand (participates in β ladder)trans-112.9125-173.7-48.4175.9000109.2L368 V371 L372 L375 L399 Y400 L430 V432L368-I388 HydrophobicContact CD1-CD1 4Å; V371-I388 HydrophobicContact CG1-CD1 4.18Å; L372-I388 HydrophobicContact CD1-CD1 4.05Å; L372-I388 HydrophobicContact CD1-CG1 4.47Å; L375-I388 HydrophobicContact CD1-CD1 3.88Å; L375-I388 HydrophobicContact CD1-CG1 4.06Å; I388-L399 HydrophobicContact CB-CB 4.43Å; I388-L399 HydrophobicContact CG2-CB 4.48Å; I388-L399 HydrophobicContact CG2-CD1 3.95Å; I388-L399 WeakPolarHBondContact O-CB 3.28Å; I388-L399 PolarHBondContact O-N 3.06Å; I388-Y400 PolarHBondContact N-O 3.16Å; I388-Y400 PolarHBondContact O-N 3.15Å; I388-L430 HydrophobicContact CG2-CB 4.36Å; I388-L430 HydrophobicContact CG2-CD1 4.39Å; I388-V432 HydrophobicContact CG1-CG2 4.46Å
389T97Very high92.5Very high45 Ų4560.4 Ų60.428%0.27633%0.331SS..EExtended strand (participates in β ladder)trans-127.8151.9174.967.80000110.6R397 T398 A431T389-R397 WeakPolarHBondContact CA-O 3.47Å; T389-T398 HydrophobicContact CG2-CG2 4.42Å; T389-A431 PolarHBondContact N-O 3.34Å; T389-A431 PolarHBondContact O-N 2.94Å; T389-A431 VanDerWaalsContact OG1-CB 3.28Å; T389-A431 WeakPolarHBondContact OG1-CB 3.4Å; T389-A431 PolarHBondContact OG1-O 3.2Å; T389-A431 VanDerWaalsContact OG1-O 3.05Å
390A96Very high92.9Very high4 Ų458.3 Ų58.33%0.03331%0.311CS..EExtended strand (participates in β ladder)trans-150.1154.8177.500000111L392 R397 L399 L424 L430A390-L392 PolarHBondContact O-N 3.39Å; A390-R397 PolarHBondContact N-O 2.98Å; A390-R397 PolarHBondContact O-N 3.06Å; A390-L399 HydrophobicContact CB-CD1 3.99Å; A390-L399 HydrophobicContact CB-CG 4.37Å; A390-L424 HydrophobicContact CB-CD2 3.81Å; A390-L430 HydrophobicContact CB-CD2 3.74Å
391T93.9Very high93.3Very high74 Ų7458 Ų5845%0.45431%0.305SS..EExtended strand (participates in β ladder)trans-84.7108.4174-50.20000110.5K395 N396 Q428T391-K395 CarbonylContact C-O 3.59Å; T391-K395 WeakPolarHBondContact CA-O 2.92Å; T391-N396 PolarHBondContact OG1-OD1 2.66Å; T391-Q428 PolarHBondContact O-NE2 3.07Å
392L91.3Very high93.3Very high17 Ų1760.9 Ų60.99%0.08932%0.319CS..EExtended strand (participates in β ladder)trans-113.3127.7177.8-67.3171.4000109.1A390 G394 K395 R397 L399 L422 G423 L424A390-L392 PolarHBondContact O-N 3.39Å; L392-G394 PolarHBondContact O-N 3.21Å; L392-K395 PolarHBondContact N-O 3.1Å; L392-K395 PolarHBondContact O-N 3.07Å; L392-K395 VanDerWaalsContact O-O 3.06Å; L392-R397 HydrophobicContact CB-CB 4.43Å; L392-R397 HydrophobicContact CD1-CB 4.06Å; L392-R397 HydrophobicContact CD1-CG 4.39Å; L392-L399 HydrophobicContact CD1-CD2 3.93Å; L392-L422 VanDerWaalsContact CD1-O 3.3Å; L392-L422 WeakPolarHBondContact CD1-O 3.3Å; L392-G423 VanDerWaalsContact CD2-O 3.26Å; L392-G423 WeakPolarHBondContact CD2-O 3.18Å; L392-L424 HydrophobicContact CD2-CD2 4.1Å
393E88.5Confident93.3Very high195 Ų19561.5 Ų61.591%0.91133%0.332SS*.THydrogen-bonded Turntrans51.539.6-178.5-58.5177.9177.400113.2K395E393-K395 PolarHBondContact O-N 2.72Å
394G87.5Confident93.2Very high72 Ų7264.1 Ų64.174%0.74235%0.348SS*.THydrogen-bonded Turntrans74.55.3-17900000115.2L392L392-G394 PolarHBondContact O-N 3.21Å
395K91.4Very high93.3Very high160 Ų16064.1 Ų64.170%0.69636%0.357SS*.EExtended strand (participates in β ladder)trans-118.3136.3178-64.6179.6-177.7174.50111T391 L392 E393 R397T391-K395 CarbonylContact C-O 3.59Å; T391-K395 WeakPolarHBondContact CA-O 2.92Å; L392-K395 PolarHBondContact N-O 3.1Å; L392-K395 PolarHBondContact O-N 3.07Å; L392-K395 VanDerWaalsContact O-O 3.06Å; E393-K395 PolarHBondContact O-N 2.72Å; K395-R397 PolarHBondContact O-N 3.07Å
396N91.9Very high93.4Very high134 Ų13464.8 Ų64.872%0.71736%0.361SS*.EExtended strand (participates in β ladder)trans-68123.7171.8-71.9-26.6000109.8T391T391-N396 PolarHBondContact OG1-OD1 2.66Å
397R94.1Very high93.4Very high154 Ų15467.7 Ų67.758%0.58138%0.376SS*.EExtended strand (participates in β ladder)trans-123128.6-177.1-156.9174.5-162.6165.71.4109.4T389 A390 L392 K395 L399T389-R397 WeakPolarHBondContact CA-O 3.47Å; A390-R397 PolarHBondContact N-O 2.98Å; A390-R397 PolarHBondContact O-N 3.06Å; L392-R397 HydrophobicContact CB-CB 4.43Å; L392-R397 HydrophobicContact CD1-CB 4.06Å; L392-R397 HydrophobicContact CD1-CG 4.39Å; K395-R397 PolarHBondContact O-N 3.07Å; R397-L399 PolarHBondContact O-N 3.31Å
398T96.4Very high93.3Very high59 Ų5968.2 Ų68.236%0.36238%0.377SS..EExtended strand (participates in β ladder)trans-74.2115.5170.7-51.10000109.1T389 L401 I407 T411T389-T398 HydrophobicContact CG2-CG2 4.42Å; T398-L401 HydrophobicContact CG2-CB 3.78Å; T398-I407 HydrophobicContact CG2-CG2 4.35Å; T398-T411 HydrophobicContact CG2-CG2 4.23Å
399L96.6Very high93.2Very high2 Ų273.7 Ų73.71%0.0140%0.403CS..EExtended strand (participates in β ladder)trans-80.9-46177.1-56.3-178000110.1L368 I388 A390 L392 R397 T411 N414 L424 L430L368-L399 HydrophobicContact CD1-CD1 4.34Å; L368-L399 HydrophobicContact CD2-CB 3.84Å; I388-L399 HydrophobicContact CB-CB 4.43Å; I388-L399 HydrophobicContact CG2-CB 4.48Å; I388-L399 HydrophobicContact CG2-CD1 3.95Å; I388-L399 WeakPolarHBondContact O-CB 3.28Å; I388-L399 PolarHBondContact O-N 3.06Å; A390-L399 HydrophobicContact CB-CD1 3.99Å; A390-L399 HydrophobicContact CB-CG 4.37Å; L392-L399 HydrophobicContact CD1-CD2 3.93Å; R397-L399 PolarHBondContact O-N 3.31Å; L399-T411 WeakPolarHBondContact O-CB 3.32Å; L399-N414 WeakPolarHBondContact O-CB 3.28Å; L399-N414 PolarHBondContact O-ND2 2.87Å; L399-L424 HydrophobicContact CD1-CD1 4.13Å; L399-L424 HydrophobicContact CD1-CD2 4.12Å; L399-L430 HydrophobicContact CD1-CD2 4.4Å
400Y97.1Very high93.2Very high15 Ų1581.3 Ų81.36%0.05943%0.426CS..EExtended strand (participates in β ladder)trans-154.6141.3174.2-172.3-119.5000112L372 A387 I388 Q402 E408 R412 L415L372-Y400 HydrophobicContact CD1-CD1 3.79Å; L372-Y400 HydrophobicContact CD1-CE1 4.21Å; L372-Y400 HydrophobicContact CD2-CD1 3.79Å; L372-Y400 HydrophobicContact CD2-CE1 3.54Å; L372-Y400 HydrophobicContact CG-CD1 4.45Å; A387-Y400 CarbonylContact C-O 3.45Å; A387-Y400 WeakPolarHBondContact CA-O 3.45Å; I388-Y400 PolarHBondContact N-O 3.16Å; I388-Y400 PolarHBondContact O-N 3.15Å; Y400-Q402 HydrophobicContact CD1-CG 4.17Å; Y400-Q402 HydrophobicContact CE1-CG 3.3Å; Y400-E408 HydrophobicContact CE2-CG 4.11Å; Y400-E408 PolarHBondContact OH-OE1 3.14Å; Y400-E408 VanDerWaalsContact OH-OE1 3.06Å; Y400-R412 HydrophobicContact CE2-CB 4.3Å; Y400-L415 HydrophobicContact CD1-CD2 3.86Å; Y400-L415 HydrophobicContact CD2-CD1 3.98Å; Y400-L415 HydrophobicContact CD2-CD2 3.99Å; Y400-L415 HydrophobicContact CD2-CG 3.92Å; Y400-L415 HydrophobicContact CE1-CD1 4.13Å; Y400-L415 HydrophobicContact CE1-CD2 4.21Å; Y400-L415 HydrophobicContact CE2-CD1 3.61Å; Y400-L415 HydrophobicContact CE2-CD2 4.4Å; Y400-L415 HydrophobicContact CE2-CG 4.09Å; Y400-L415 HydrophobicContact CG-CD1 4.43Å; Y400-L415 HydrophobicContact CG-CD2 3.71Å; Y400-L415 HydrophobicContact CG-CG 4.19Å
401L94.8Very high93.2Very high34 Ų3481.7 Ų81.718%0.17843%0.428CS..  trans-147.8127.7178.2175.869.1000110A387 T398 S403 I407 E408 T411A387-L401 HydrophobicContact CB-CD1 3.31Å; T398-L401 HydrophobicContact CG2-CB 3.78Å; L401-S403 WeakPolarHBondContact CD1-OG 3.4Å; L401-I407 HydrophobicContact CB-CG2 4.02Å; L401-I407 HydrophobicContact CD2-CB 4.12Å; L401-I407 HydrophobicContact CD2-CD1 3.87Å; L401-I407 HydrophobicContact CD2-CG2 3.87Å; L401-I407 HydrophobicContact CG-CG2 4.47Å; L401-E408 WeakPolarHBondContact O-CA 3.32Å; L401-E408 WeakPolarHBondContact O-CB 3.29Å; L401-E408 PolarHBondContact O-N 3.46Å; L401-T411 PolarHBondContact N-OG1 2.9Å
402Q90.7Very high93.3Very high66 Ų6684.2 Ų84.231%0.30843%0.429SS..SBendtrans-96.6-20.8-176.1-67.517964.700114.7P386 Y400 V404P386-Q402 PolarHBondContact O-NE2 3.38Å; Y400-Q402 HydrophobicContact CD1-CG 4.17Å; Y400-Q402 HydrophobicContact CE1-CG 3.3Å; Q402-V404 PolarHBondContact O-N 2.95Å
403S87.6Confident93.6Very high94 Ų9486.9 Ų86.966%0.65745%0.448SS*.SBendtrans-72.6-24.4-168.257.60000114.7L401L401-S403 WeakPolarHBondContact CD1-OG 3.4Å
404V91.1Very high94.1Very high64 Ų6478.9 Ų78.939%0.38841%0.411SS..SBendtrans-122.2109.8-178.8-178.10000108.6Q402 S406 I407 E408Q402-V404 PolarHBondContact O-N 2.95Å; V404-S406 WeakPolarHBondContact CG1-OG 3.28Å; V404-S406 PolarHBondContact O-N 3.08Å; V404-S406 VanDerWaalsContact O-N 3.09Å; V404-I407 HydrophobicContact CB-CB 4.39Å; V404-I407 HydrophobicContact CB-CD1 4.16Å; V404-I407 HydrophobicContact CB-CG1 4.25Å; V404-I407 HydrophobicContact CG1-CD1 4.24Å; V404-I407 HydrophobicContact CG1-CG1 4.13Å; V404-I407 PolarHBondContact O-N 3.25Å; V404-E408 PolarHBondContact O-N 2.98Å
405T92.4Very high94.5Very high98 Ų9876.2 Ų76.260%0.60138%0.38SS*.Hα-helixtrans-50.5-40.6-173.2-43.40000113.1I407 E408 E409T405-I407 VanDerWaalsContact C-N 3.34Å; T405-I407 PolarHBondContact O-N 3.4Å; T405-E408 PolarHBondContact O-N 3.26Å; T405-E409 WeakPolarHBondContact O-CG 3.49Å; T405-E409 PolarHBondContact O-N 3.16Å
406S94.4Very high94.8Very high63 Ų6372.2 Ų72.244%0.44137%0.372SS..Hα-helixtrans-67.6-29.8-179.963.50000114.1V404 R410V404-S406 WeakPolarHBondContact CG1-OG 3.28Å; V404-S406 PolarHBondContact O-N 3.08Å; V404-S406 VanDerWaalsContact O-N 3.09Å; S406-R410 WeakPolarHBondContact O-CD 3.49Å; S406-R410 VanDerWaalsContact O-CG 3.23Å; S406-R410 WeakPolarHBondContact O-CG 3.4Å
407I94.5Very high95.1Very high61 Ų6169.7 Ų69.731%0.31336%0.355SS..Hα-helixtrans-85.3-38.3175.5-56.8177000109.7T398 L401 V404 T405 E409 R410 T411T398-I407 HydrophobicContact CG2-CG2 4.35Å; L401-I407 HydrophobicContact CB-CG2 4.02Å; L401-I407 HydrophobicContact CD2-CB 4.12Å; L401-I407 HydrophobicContact CD2-CD1 3.87Å; L401-I407 HydrophobicContact CD2-CG2 3.87Å; L401-I407 HydrophobicContact CG-CG2 4.47Å; V404-I407 HydrophobicContact CB-CB 4.39Å; V404-I407 HydrophobicContact CB-CD1 4.16Å; V404-I407 HydrophobicContact CB-CG1 4.25Å; V404-I407 HydrophobicContact CG1-CD1 4.24Å; V404-I407 HydrophobicContact CG1-CG1 4.13Å; V404-I407 PolarHBondContact O-N 3.25Å; T405-I407 VanDerWaalsContact C-N 3.34Å; T405-I407 PolarHBondContact O-N 3.4Å; I407-E409 PolarHBondContact O-N 3.09Å; I407-R410 PolarHBondContact O-N 3.44Å; I407-T411 HydrophobicContact CG2-CG2 4.04Å; I407-T411 WeakPolarHBondContact O-CB 3.45Å; I407-T411 WeakPolarHBondContact O-CG2 3.45Å; I407-T411 PolarHBondContact O-N 3.27Å; I407-T411 PolarHBondContact O-OG1 2.95Å
408E95.6Very high95.2Very high22 Ų2263.6 Ų63.610%0.10334%0.335CS..Hα-helixtrans-54.7-51.9174.7-170-75.9148.500110.1Y400 L401 V404 T405 R410 T411 R412Y400-E408 HydrophobicContact CE2-CG 4.11Å; Y400-E408 PolarHBondContact OH-OE1 3.14Å; Y400-E408 VanDerWaalsContact OH-OE1 3.06Å; L401-E408 WeakPolarHBondContact O-CA 3.32Å; L401-E408 WeakPolarHBondContact O-CB 3.29Å; L401-E408 PolarHBondContact O-N 3.46Å; V404-E408 PolarHBondContact O-N 2.98Å; T405-E408 PolarHBondContact O-N 3.26Å; E408-R410 VanDerWaalsContact C-N 3.32Å; E408-R410 PolarHBondContact O-N 3.5Å; E408-T411 PolarHBondContact O-N 2.95Å; E408-T411 VanDerWaalsContact O-N 3.15Å; E408-T411 PolarHBondContact O-OG1 2.98Å; E408-R412 VanDerWaalsContact CD-NH2 3.33Å; E408-R412 VanDerWaalsContact O-CB 3.27Å; E408-R412 WeakPolarHBondContact O-CB 3.45Å; E408-R412 PolarHBondContact O-N 3.27Å; E408-R412 IonicContact OE1-CZ 3.46Å; E408-R412 IonicContact OE1-NE 2.79Å; E408-R412 PolarHBondContact OE1-NE 3.29Å; E408-R412 IonicContact OE1-NH2 3.31Å; E408-R412 PolarHBondContact OE1-NH2 3.27Å; E408-R412 IonicContact OE2-CZ 3.34Å; E408-R412 IonicContact OE2-NE 3.41Å; E408-R412 PolarHBondContact OE2-NE 3.44Å; E408-R412 IonicContact OE2-NH2 2.61Å; E408-R412 PolarHBondContact OE2-NH2 3.11Å
409E95.2Very high95.2Very high115 Ų11560.8 Ų60.854%0.53732%0.318SS..Hα-helixtrans-61.2-38.3179.1-72.6175172.300113T405 I407 T411 P413T405-E409 WeakPolarHBondContact O-CG 3.49Å; T405-E409 PolarHBondContact O-N 3.16Å; I407-E409 PolarHBondContact O-N 3.09Å; E409-T411 VanDerWaalsContact C-N 3.34Å; E409-P413 WeakPolarHBondContact O-CD 3.37Å
410R95.8Very high95.1Very high204 Ų20468.2 Ų68.277%0.7735%0.35SS*.Hα-helixtrans-72.1-28.3179.1-73174.7-176.7-170.81.6113.1S406 I407 E408S406-R410 WeakPolarHBondContact O-CD 3.49Å; S406-R410 VanDerWaalsContact O-CG 3.23Å; S406-R410 WeakPolarHBondContact O-CG 3.4Å; I407-R410 PolarHBondContact O-N 3.44Å; E408-R410 VanDerWaalsContact C-N 3.32Å; E408-R410 PolarHBondContact O-N 3.5Å
411T96.7Very high95Very high12 Ų1273.8 Ų73.87%0.07438%0.376CS..Hα-helixtrans-101.3-19-176.457.30000113T398 L399 L401 I407 E408 E409 P413 N414T398-T411 HydrophobicContact CG2-CG2 4.23Å; L399-T411 WeakPolarHBondContact O-CB 3.32Å; L401-T411 PolarHBondContact N-OG1 2.9Å; I407-T411 HydrophobicContact CG2-CG2 4.04Å; I407-T411 WeakPolarHBondContact O-CB 3.45Å; I407-T411 WeakPolarHBondContact O-CG2 3.45Å; I407-T411 PolarHBondContact O-N 3.27Å; I407-T411 PolarHBondContact O-OG1 2.95Å; E408-T411 PolarHBondContact O-N 2.95Å; E408-T411 VanDerWaalsContact O-N 3.15Å; E408-T411 PolarHBondContact O-OG1 2.98Å; E409-T411 VanDerWaalsContact C-N 3.34Å; T411-P413 VanDerWaalsContact C-N 3.3Å; T411-N414 WeakPolarHBondContact O-CB 3.23Å; T411-N414 PolarHBondContact O-N 3.42Å
412R96.9Very high95.1Very high127 Ų12773.1 Ų73.148%0.47937%0.373SS..G310 helixtrans-50-40.1174.8-169.3-170-61.8164.3-1.9113.5Y400 E408 N414 L415Y400-R412 HydrophobicContact CE2-CB 4.3Å; E408-R412 VanDerWaalsContact CD-NH2 3.33Å; E408-R412 VanDerWaalsContact O-CB 3.27Å; E408-R412 WeakPolarHBondContact O-CB 3.45Å; E408-R412 PolarHBondContact O-N 3.27Å; E408-R412 IonicContact OE1-CZ 3.46Å; E408-R412 IonicContact OE1-NE 2.79Å; E408-R412 PolarHBondContact OE1-NE 3.29Å; E408-R412 IonicContact OE1-NH2 3.31Å; E408-R412 PolarHBondContact OE1-NH2 3.27Å; E408-R412 IonicContact OE2-CZ 3.34Å; E408-R412 IonicContact OE2-NE 3.41Å; E408-R412 PolarHBondContact OE2-NE 3.44Å; E408-R412 IonicContact OE2-NH2 2.61Å; E408-R412 PolarHBondContact OE2-NH2 3.11Å; R412-N414 PolarHBondContact O-N 2.95Å; R412-N414 VanDerWaalsContact O-N 3.1Å; R412-L415 HydrophobicContact CG-CD1 4.16Å; R412-L415 WeakPolarHBondContact O-CB 3.42Å; R412-L415 WeakPolarHBondContact O-CG 3.2Å; R412-L415 PolarHBondContact O-N 3.03Å
413P97.5Very high95.3Very high73 Ų7372 Ų7247%0.47438%0.379SS..G310 helixtrans-61.5-17.8175.3-24.835.7000114.8E409 T411 L415 S416E409-P413 WeakPolarHBondContact O-CD 3.37Å; T411-P413 VanDerWaalsContact C-N 3.3Å; P413-L415 VanDerWaalsContact C-N 3.32Å; P413-S416 PolarHBondContact O-OG 3.16Å
414N97.3Very high95.6Very high27 Ų2767.8 Ų67.814%0.14435%0.349CS..G310 helixtrans-75.5-21.4175.7-63.3-30.5000112.5L368 L399 T411 R412 S416 K417 L422L368-N414 HydrophobicContact CD2-CB 4.09Å; L399-N414 WeakPolarHBondContact O-CB 3.28Å; L399-N414 PolarHBondContact O-ND2 2.87Å; T411-N414 WeakPolarHBondContact O-CB 3.23Å; T411-N414 PolarHBondContact O-N 3.42Å; R412-N414 PolarHBondContact O-N 2.95Å; R412-N414 VanDerWaalsContact O-N 3.1Å; N414-S416 PolarHBondContact O-N 2.71Å; N414-K417 WeakPolarHBondContact O-CB 3.48Å; N414-K417 PolarHBondContact O-N 2.99Å; N414-K417 VanDerWaalsContact O-N 3.08Å; N414-K417 PolarHBondContact OD1-NZ 3.49Å; N414-L422 HydrophobicContact CB-CD2 3.85Å
415L97.2Very high95.7Very high16 Ų1669 Ų698%0.08436%0.356CS..THydrogen-bonded Turntrans-62.1-30-179.2-67.2173.7000113L368 Q369 L372 Y400 R412 P413L368-L415 HydrophobicContact CD2-CD2 4.25Å; L368-L415 HydrophobicContact CG-CD2 4.26Å; Q369-L415 HydrophobicContact CB-CB 4.41Å; Q369-L415 WeakPolarHBondContact CB-O 3.25Å; Q369-L415 PolarHBondContact N-O 3.38Å; L372-L415 HydrophobicContact CD2-CD2 3.98Å; Y400-L415 HydrophobicContact CD1-CD2 3.86Å; Y400-L415 HydrophobicContact CD2-CD1 3.98Å; Y400-L415 HydrophobicContact CD2-CD2 3.99Å; Y400-L415 HydrophobicContact CD2-CG 3.92Å; Y400-L415 HydrophobicContact CE1-CD1 4.13Å; Y400-L415 HydrophobicContact CE1-CD2 4.21Å; Y400-L415 HydrophobicContact CE2-CD1 3.61Å; Y400-L415 HydrophobicContact CE2-CD2 4.4Å; Y400-L415 HydrophobicContact CE2-CG 4.09Å; Y400-L415 HydrophobicContact CG-CD1 4.43Å; Y400-L415 HydrophobicContact CG-CD2 3.71Å; Y400-L415 HydrophobicContact CG-CG 4.19Å; R412-L415 HydrophobicContact CG-CD1 4.16Å; R412-L415 WeakPolarHBondContact O-CB 3.42Å; R412-L415 WeakPolarHBondContact O-CG 3.2Å; R412-L415 PolarHBondContact O-N 3.03Å; P413-L415 VanDerWaalsContact C-N 3.32Å
416S97.1Very high95.8Very high76 Ų7669 Ų6953%0.53135%0.352SS..THydrogen-bonded Turntrans-87.5-10.8177.856.40000114.1P413 N414P413-S416 PolarHBondContact O-OG 3.16Å; N414-S416 PolarHBondContact O-N 2.71Å
417K97.3Very high95.6Very high81 Ų8167.2 Ų67.235%0.35235%0.345SS..SBendtrans-81147176-62.5178.3-172.5164.50110.2K367 L368 N414 E421 L422K367-K417 WeakPolarHBondContact CA-O 3.44Å; L368-K417 PolarHBondContact N-O 2.82Å; N414-K417 WeakPolarHBondContact O-CB 3.48Å; N414-K417 PolarHBondContact O-N 2.99Å; N414-K417 VanDerWaalsContact O-N 3.08Å; N414-K417 PolarHBondContact OD1-NZ 3.49Å; K417-E421 WeakPolarHBondContact CA-OE2 3.43Å; K417-E421 HydrophobicContact CB-CB 4.23Å; K417-L422 HydrophobicContact CB-CD1 4.49Å; K417-L422 HydrophobicContact CB-CD2 3.98Å; K417-L422 HydrophobicContact CB-CG 3.93Å; K417-L422 HydrophobicContact CD-CD2 3.74Å; K417-L422 HydrophobicContact CG-CD2 4.5Å
418T97.2Very high95.5Very high27 Ų2765.5 Ų65.517%0.16634%0.335CS..BIsolated β-bridgetrans-73.2159174.263.10000111.7S365 A366 K420 E421 L422S365-T418 VanDerWaalsContact O-CG2 3.23Å; S365-T418 WeakPolarHBondContact O-CG2 3.42Å; A366-T418 CarbonylContact O-C 3.59Å; A366-T418 WeakPolarHBondContact O-CA 3.44Å; T418-K420 PolarHBondContact O-N 2.8Å; T418-E421 WeakPolarHBondContact CG2-OE2 3.35Å; T418-E421 PolarHBondContact N-OE2 3.02Å; T418-E421 PolarHBondContact O-N 3Å; T418-E421 VanDerWaalsContact O-N 3.11Å; T418-E421 WeakPolarHBondContact OG1-CB 3.35Å; T418-E421 VanDerWaalsContact OG1-CD 3.31Å; T418-E421 WeakPolarHBondContact OG1-CG 3.3Å; T418-E421 PolarHBondContact OG1-N 2.78Å; T418-E421 VanDerWaalsContact OG1-N 3.14Å; T418-E421 PolarHBondContact OG1-OE2 2.81Å; T418-L422 WeakPolarHBondContact O-CG 3.4Å; T418-L422 PolarHBondContact O-N 2.9Å
419L96.2Very high95.5Very high0 Ų068.8 Ų68.80%035%0.351CS..THydrogen-bonded Turntrans-57.3-39.5176.2-57.4179.2000111.1F362 A366 L368 V371 L422 G423 L424 L445 F447F362-L419 HydrophobicContact CB-CD1 3.67Å; F362-L419 HydrophobicContact CG-CD1 4.31Å; A366-L419 HydrophobicContact CB-CD1 4.36Å; A366-L419 WeakPolarHBondContact O-CG 3.36Å; A366-L419 PolarHBondContact O-N 3.19Å; L368-L419 HydrophobicContact CD1-CD2 4.43Å; V371-L419 HydrophobicContact CG2-CD1 4.18Å; V371-L419 HydrophobicContact CG2-CD2 3.84Å; L419-L422 PolarHBondContact O-N 3.05Å; L419-G423 PolarHBondContact O-N 3.06Å; L419-L424 HydrophobicContact CB-CB 4.44Å; L419-L424 HydrophobicContact CB-CD1 4.12Å; L419-L424 HydrophobicContact CD2-CD1 3.67Å; L419-L424 HydrophobicContact CG-CD1 4.44Å; L419-L424 WeakPolarHBondContact O-CB 3.48Å; L419-L424 PolarHBondContact O-N 3.2Å; L419-L445 HydrophobicContact CD1-CD1 4.02Å; L419-L445 HydrophobicContact CD1-CD2 4.26Å; L419-F447 HydrophobicContact CB-CE1 3.77Å; L419-F447 HydrophobicContact CB-CZ 3.94Å; L419-F447 HydrophobicContact CD1-CE1 3.8Å; L419-F447 HydrophobicContact CG-CE1 4.43Å
420K94.4Very high95.5Very high157 Ų15763.4 Ų63.468%0.68333%0.325SS*.THydrogen-bonded Turntrans-64.8-42.1174-172.7174.3-178.1175.90113.3P364 T418 L422 G423P364-K420 HydrophobicContact CB-CB 4.33Å; P364-K420 WeakPolarHBondContact O-CB 3.45Å; P364-K420 PolarHBondContact O-N 3.49Å; P364-K420 VanDerWaalsContact O-N 3.09Å; T418-K420 PolarHBondContact O-N 2.8Å; K420-L422 VanDerWaalsContact C-N 3.27Å; K420-L422 PolarHBondContact O-N 3.03Å; K420-G423 PolarHBondContact O-N 3.47Å; K420-G423 VanDerWaalsContact O-N 3.08Å
421E95.8Very high95.5Very high133 Ų13354.8 Ų54.862%0.62130%0.298SS*.THydrogen-bonded Turntrans-67.3-27.4177.4-76.3168.1144.800113.2K417 T418 G423K417-E421 WeakPolarHBondContact CA-OE2 3.43Å; K417-E421 HydrophobicContact CB-CB 4.23Å; T418-E421 WeakPolarHBondContact CG2-OE2 3.35Å; T418-E421 PolarHBondContact N-OE2 3.02Å; T418-E421 PolarHBondContact O-N 3Å; T418-E421 VanDerWaalsContact O-N 3.11Å; T418-E421 WeakPolarHBondContact OG1-CB 3.35Å; T418-E421 VanDerWaalsContact OG1-CD 3.31Å; T418-E421 WeakPolarHBondContact OG1-CG 3.3Å; T418-E421 PolarHBondContact OG1-N 2.78Å; T418-E421 VanDerWaalsContact OG1-N 3.14Å; T418-E421 PolarHBondContact OG1-OE2 2.81Å; E421-G423 PolarHBondContact O-N 3.12Å
422L95.6Very high95.4Very high19 Ų1954.3 Ų54.310%0.09930%0.295CS..THydrogen-bonded Turntrans-76.5-6173-68.7172000113.1L368 L392 N414 K417 T418 L419 K420 L424L368-L422 HydrophobicContact CB-CD1 3.78Å; L368-L422 HydrophobicContact CD1-CD1 4.32Å; L368-L422 HydrophobicContact CD2-CD1 3.86Å; L368-L422 HydrophobicContact CG-CD1 4.2Å; L392-L422 VanDerWaalsContact CD1-O 3.3Å; L392-L422 WeakPolarHBondContact CD1-O 3.3Å; N414-L422 HydrophobicContact CB-CD2 3.85Å; K417-L422 HydrophobicContact CB-CD1 4.49Å; K417-L422 HydrophobicContact CB-CD2 3.98Å; K417-L422 HydrophobicContact CB-CG 3.93Å; K417-L422 HydrophobicContact CD-CD2 3.74Å; K417-L422 HydrophobicContact CG-CD2 4.5Å; T418-L422 WeakPolarHBondContact O-CG 3.4Å; T418-L422 PolarHBondContact O-N 2.9Å; L419-L422 PolarHBondContact O-N 3.05Å; K420-L422 VanDerWaalsContact C-N 3.27Å; K420-L422 PolarHBondContact O-N 3.03Å; L422-L424 HydrophobicContact CB-CG 4.28Å
423G94.6Very high95.3Very high42 Ų4250.2 Ų50.243%0.43329%0.288SS..THydrogen-bonded Turntrans78.818.4-177.900000113.6L392 L419 K420 E421L392-G423 VanDerWaalsContact CD2-O 3.26Å; L392-G423 WeakPolarHBondContact CD2-O 3.18Å; L419-G423 PolarHBondContact O-N 3.06Å; K420-G423 PolarHBondContact O-N 3.47Å; K420-G423 VanDerWaalsContact O-N 3.08Å; E421-G423 PolarHBondContact O-N 3.12Å
424L95.1Very high95.1Very high6 Ų647.4 Ų47.43%0.03127%0.269CS..  trans-73.9141.3175.5-60.9172.2000110.4A390 L392 L399 L419 L422 Q428 L430 L445 F447A390-L424 HydrophobicContact CB-CD2 3.81Å; L392-L424 HydrophobicContact CD2-CD2 4.1Å; L399-L424 HydrophobicContact CD1-CD1 4.13Å; L399-L424 HydrophobicContact CD1-CD2 4.12Å; L419-L424 HydrophobicContact CB-CB 4.44Å; L419-L424 HydrophobicContact CB-CD1 4.12Å; L419-L424 HydrophobicContact CD2-CD1 3.67Å; L419-L424 HydrophobicContact CG-CD1 4.44Å; L419-L424 WeakPolarHBondContact O-CB 3.48Å; L419-L424 PolarHBondContact O-N 3.2Å; L422-L424 HydrophobicContact CB-CG 4.28Å; L424-Q428 VanDerWaalsContact CA-OE1 3.27Å; L424-L430 HydrophobicContact CD1-CD2 4.36Å; L424-L430 HydrophobicContact CD2-CD2 3.91Å; L424-L445 HydrophobicContact CB-CD2 4.06Å; L424-L445 HydrophobicContact CD1-CD2 4.23Å; L424-F447 HydrophobicContact CB-CZ 4.31Å; L424-F447 WeakPolarHBondContact O-CE2 3.25Å
425V93.4Very high94.8Very high89 Ų8950.3 Ų50.354%0.53929%0.288SS..  trans-116158-179.7-61.30000111.4Q428V425-Q428 HydrophobicContact CG2-CB 3.96Å; V425-Q428 WeakPolarHBondContact O-CB 3.3Å; V425-Q428 PolarHBondContact O-N 2.81Å
426D94.2Very high94.4Very high98 Ų9849.6 Ų49.652%0.52428%0.284SS..THydrogen-bonded Turntrans-61.4139.6175.2-171.942.9000111.3Q428 H446 F447D426-Q428 PolarHBondContact O-N 2.87Å; D426-H446 VanDerWaalsContact OD1-CA 3.25Å; D426-H446 WeakPolarHBondContact OD1-CA 3.49Å; D426-F447 HydrophobicContact CB-CB 4.3Å; D426-F447 HydrophobicContact CB-CD2 3.87Å; D426-F447 HydrophobicContact CB-CG 4.37Å; D426-F447 PolarHBondContact OD1-N 3.15Å
427G90.9Very high94Very high27 Ų2746.6 Ų46.628%0.27826%0.263SS..THydrogen-bonded Turntrans76.50.9-176.200000115.4K444 L445G427-K444 WeakPolarHBondContact O-CE 3.42Å; G427-L445 VanDerWaalsContact CA-O 3.25Å; G427-L445 WeakPolarHBondContact CA-O 3.49Å; G427-L445 PolarHBondContact N-O 3.34Å
428Q92.2Very high93.5Very high24 Ų2445.2 Ų45.211%0.11226%0.262CS..PPolyproline II helixtrans-71141.7180-173.3171.7600112.1T391 L424 V425 D426 L445T391-Q428 PolarHBondContact O-NE2 3.07Å; L424-Q428 VanDerWaalsContact CA-OE1 3.27Å; V425-Q428 HydrophobicContact CG2-CB 3.96Å; V425-Q428 WeakPolarHBondContact O-CB 3.3Å; V425-Q428 PolarHBondContact O-N 2.81Å; D426-Q428 PolarHBondContact O-N 2.87Å; Q428-L445 WeakPolarHBondContact O-CB 3.29Å; Q428-L445 PolarHBondContact O-N 3.16Å
429E93.8Very high93.1Very high92 Ų9245.4 Ų45.443%0.4326%0.261SS..EExtended strand (participates in β ladder)trans-87.2131.3174.3-67-180-173.200111.6F443E429-F443 CarbonylContact C-O 3.49Å; E429-F443 VanDerWaalsContact CA-O 3.31Å; E429-F443 WeakPolarHBondContact CA-O 3.41Å
430L95.4Very high92.9Very high1 Ų149.2 Ų49.21%0.00528%0.284CS..EExtended strand (participates in β ladder)trans-102.7125.9170.8-52.8-178.2000108.3I360 I388 A390 L399 L424 F443I360-L430 HydrophobicContact CD1-CD1 3.98Å; I388-L430 HydrophobicContact CG2-CB 4.36Å; I388-L430 HydrophobicContact CG2-CD1 4.39Å; A390-L430 HydrophobicContact CB-CD2 3.74Å; L399-L430 HydrophobicContact CD1-CD2 4.4Å; L424-L430 HydrophobicContact CD1-CD2 4.36Å; L424-L430 HydrophobicContact CD2-CD2 3.91Å; L430-F443 HydrophobicContact CB-CB 4.4Å; L430-F443 PolarHBondContact N-O 2.7Å; L430-F443 PolarHBondContact O-N 3.4Å
431A95.9Very high92.8Very high23 Ų2342.1 Ų42.119%0.1925%0.254CS..EExtended strand (participates in β ladder)trans-92.9115.2174.300000109.2T389 T440 L442T389-A431 PolarHBondContact N-O 3.34Å; T389-A431 PolarHBondContact O-N 2.94Å; T389-A431 VanDerWaalsContact OG1-CB 3.28Å; T389-A431 WeakPolarHBondContact OG1-CB 3.4Å; T389-A431 PolarHBondContact OG1-O 3.2Å; T389-A431 VanDerWaalsContact OG1-O 3.05Å; A431-T440 HydrophobicContact CB-CG2 3.63Å; A431-L442 HydrophobicContact CB-CD2 4.05Å
432V95.8Very high92.7Very high2 Ų239.3 Ų39.31%0.01224%0.243CC..EExtended strand (participates in β ladder)trans-112.2121.8-177-178.10000110.6L375 M383 P386 A387 I388 V441 F443L375-V432 HydrophobicContact CD1-CG1 3.99Å; L375-V432 HydrophobicContact CD1-CG2 3.95Å; M383-V432 HydrophobicContact CE-CG1 3.98Å; M383-V432 HydrophobicContact SD-CG1 3.6Å; P386-V432 HydrophobicContact CB-CG1 3.94Å; A387-V432 VanDerWaalsContact O-CA 3.22Å; A387-V432 WeakPolarHBondContact O-CA 3.34Å; I388-V432 HydrophobicContact CG1-CG2 4.46Å; V432-V441 PolarHBondContact N-O 2.91Å; V432-V441 PolarHBondContact O-N 3.42Å; V432-F443 HydrophobicContact CB-CD2 3.99Å; V432-F443 HydrophobicContact CB-CE2 3.86Å; V432-F443 HydrophobicContact CG1-CE2 4.4Å; V432-F443 HydrophobicContact CG2-CD2 3.52Å; V432-F443 HydrophobicContact CG2-CE2 3.81Å
433A94.6Very high92.6Very high42 Ų4238.5 Ų38.535%0.34724%0.239SC..EExtended strand (participates in β ladder)trans-109.8145.1172.100000110P386 A387P386-A433 WeakPolarHBondContact CA-O 3.33Å; A387-A433 HydrophobicContact CB-CB 4.47Å; A387-A433 PolarHBondContact N-O 3.46Å; A387-A433 PolarHBondContact O-N 3.36Å
434D93.4Very high92.6Very high13 Ų1340.1 Ų40.17%0.0723%0.234CC..EExtended strand (participates in β ladder)trans-148.8153.5179.4-173.952.8000111.1M383 K384 S385 T436 T437M383-D434 WeakPolarHBondContact CA-OD2 3.39Å; M383-D434 HydrophobicContact CB-CB 4.27Å; M383-D434 HydrophobicContact CG-CB 4.22Å; M383-D434 HydrophobicContact SD-CB 4.28Å; K384-D434 PolarHBondContact N-OD1 2.87Å; K384-D434 PolarHBondContact N-OD2 2.68Å; S385-D434 WeakPolarHBondContact CA-OD1 3.45Å; S385-D434 PolarHBondContact N-OD1 2.76Å; D434-T436 PolarHBondContact O-N 3.07Å; D434-T436 VanDerWaalsContact O-N 3.07Å; D434-T436 WeakPolarHBondContact OD2-CB 3.44Å; D434-T436 WeakPolarHBondContact OD2-CG2 3.26Å; D434-T436 PolarHBondContact OD2-N 3.15Å; D434-T436 PolarHBondContact OD2-OG1 3.08Å; D434-T437 PolarHBondContact O-N 3.48Å
435V91.3Very high92.5Very high89 Ų8939.8 Ų39.854%0.53923%0.232SC..THydrogen-bonded Turntrans-63.5-15.3178.1-63.70000113.7K384 T437K384-V435 HydrophobicContact CB-CG2 3.59Å; K384-V435 HydrophobicContact CG-CG2 4.33Å; V435-T437 VanDerWaalsContact C-N 3.3Å
436T88.2Confident92.6Very high0 Ų038.2 Ų38.20%022%0.219CC..THydrogen-bonded Turntrans-74-18.1177.656.90000113.6R159 W160 K384 D434R159-T436 CarbonylContact C-O 3.43Å; R159-T436 VanDerWaalsContact CB-O 3.26Å; R159-T436 WeakPolarHBondContact CB-O 3.29Å; R159-T436 VanDerWaalsContact NH1-CG2 3.32Å; W160-T436 VanDerWaalsContact CA-O 3.29Å; W160-T436 WeakPolarHBondContact CA-O 3.44Å; W160-T436 PolarHBondContact N-O 2.92Å; K384-T436 HydrophobicContact CB-CG2 4.23Å; K384-T436 HydrophobicContact CG-CG2 3.75Å; D434-T436 PolarHBondContact O-N 3.07Å; D434-T436 VanDerWaalsContact O-N 3.07Å; D434-T436 WeakPolarHBondContact OD2-CB 3.44Å; D434-T436 WeakPolarHBondContact OD2-CG2 3.26Å; D434-T436 PolarHBondContact OD2-N 3.15Å; D434-T436 PolarHBondContact OD2-OG1 3.08Å
437T89.2Confident92.6Very high14 Ų1435.9 Ų35.99%0.08620%0.204CC..EExtended strand (participates in β ladder)trans-152.3138.9-176.1-172.30000111.9G163 D434 V435 Q439 V441G163-T437 WeakPolarHBondContact CA-OG1 3.38Å; D434-T437 PolarHBondContact O-N 3.48Å; V435-T437 VanDerWaalsContact C-N 3.3Å; T437-Q439 HydrophobicContact CG2-CG 4.23Å; T437-Q439 WeakPolarHBondContact CG2-O 3.35Å; T437-Q439 PolarHBondContact O-N 2.87Å; T437-Q439 WeakPolarHBondContact OG1-CG 3.21Å; T437-V441 HydrophobicContact CG2-CG2 4.33Å
438P86.6Confident92.5Very high52 Ų5237.3 Ų37.334%0.33821%0.208SC..EExtended strand (participates in β ladder)trans-73-18.2177.629-33.8000113W160 M164W160-P438 HydrophobicContact CD2-CG 4.28Å; W160-P438 HydrophobicContact CZ2-CB 3.96Å; W160-P438 HydrophobicContact CZ2-CG 4.2Å; W160-P438 WeakPolarHBondContact O-CD 3.38Å; M164-P438 HydrophobicContact CB-CG 3.85Å; M164-P438 HydrophobicContact CE-CB 4.25Å; M164-P438 HydrophobicContact CE-CG 4.19Å; M164-P438 VanDerWaalsContact N-CG 3.3Å
439Q89.2Confident91.5Very high30 Ų3044.8 Ų44.814%0.1426%0.263CS..EExtended strand (participates in β ladder)trans-83.9146.3-179.776.9-166.6-15.200111.7A352 T437 V441A352-Q439 VanDerWaalsContact CB-NE2 3.26Å; A352-Q439 PolarHBondContact O-NE2 3.3Å; T437-Q439 HydrophobicContact CG2-CG 4.23Å; T437-Q439 WeakPolarHBondContact CG2-O 3.35Å; T437-Q439 PolarHBondContact O-N 2.87Å; T437-Q439 WeakPolarHBondContact OG1-CG 3.21Å; Q439-V441 HydrophobicContact CG-CG2 4.43Å
440T91.4Very high91.4Very high80 Ų8042.5 Ų42.549%0.49125%0.254SS..EExtended strand (participates in β ladder)trans-78.7124.2167.4-61.20000108.9A431 L442A431-T440 HydrophobicContact CB-CG2 3.63Å; T440-L442 HydrophobicContact CG2-CD2 4.48Å
441V92.4Very high91.2Very high9 Ų944.6 Ų44.66%0.05527%0.267CS..EExtended strand (participates in β ladder)trans-89.4131.2175.8-178.40000109.1P351 M383 V432 T437 Q439 F443P351-V441 HydrophobicContact CB-CG1 4.06Å; P351-V441 VanDerWaalsContact O-CG1 3.26Å; P351-V441 WeakPolarHBondContact O-CG1 3.46Å; M383-V441 HydrophobicContact CE-CB 4.34Å; M383-V441 HydrophobicContact CE-CG2 4.26Å; V432-V441 PolarHBondContact N-O 2.91Å; V432-V441 PolarHBondContact O-N 3.42Å; T437-V441 HydrophobicContact CG2-CG2 4.33Å; Q439-V441 HydrophobicContact CG-CG2 4.43Å; V441-F443 HydrophobicContact CB-CE2 3.91Å; V441-F443 HydrophobicContact CG1-CD2 4.06Å; V441-F443 HydrophobicContact CG1-CE2 3.42Å; V441-F443 VanDerWaalsContact CG1-CE2 3.42Å; V441-F443 HydrophobicContact CG1-CZ 3.77Å
442L93.3Very high91Very high74 Ų7445.8 Ų45.839%0.38727%0.272SS..EExtended strand (participates in β ladder)trans-95.7132.3178.7-59.5178.3000110.7P357 Q358 A431 T440P357-L442 CarbonylContact C-O 3.57Å; P357-L442 VanDerWaalsContact CA-O 3.31Å; P357-L442 WeakPolarHBondContact CA-O 3.21Å; P357-L442 HydrophobicContact CB-CB 3.97Å; P357-L442 HydrophobicContact CG-CB 4.15Å; Q358-L442 PolarHBondContact N-O 3.16Å; A431-L442 HydrophobicContact CB-CD2 4.05Å; T440-L442 HydrophobicContact CG2-CD2 4.48Å
443F93.8Very high90.7Very high2 Ų248.4 Ų48.41%0.00929%0.287CS..EExtended strand (participates in β ladder)trans-121.4127175.1-68.6-92.7000110.2Q358 I360 L375 L381 M383 E429 L430 V432 V441Q358-F443 HydrophobicContact CB-CD1 3.41Å; Q358-F443 VanDerWaalsContact CB-CD1 3.41Å; Q358-F443 HydrophobicContact CB-CE1 3.61Å; Q358-F443 HydrophobicContact CB-CG 4.22Å; Q358-F443 HydrophobicContact CG-CD1 4.38Å; Q358-F443 HydrophobicContact CG-CE1 4.15Å; Q358-F443 CarbonylContact O-C 3.55Å; Q358-F443 WeakPolarHBondContact O-CA 3.21Å; I360-F443 HydrophobicContact CD1-CB 4.01Å; I360-F443 HydrophobicContact CG1-CB 4.32Å; I360-F443 HydrophobicContact CG2-CD1 3.58Å; I360-F443 HydrophobicContact CG2-CE1 4.25Å; I360-F443 HydrophobicContact CG2-CG 4.46Å; L375-F443 HydrophobicContact CD2-CD1 4.43Å; L375-F443 HydrophobicContact CD2-CD2 4.34Å; L375-F443 HydrophobicContact CD2-CE1 3.88Å; L375-F443 HydrophobicContact CD2-CE2 3.76Å; L375-F443 HydrophobicContact CD2-CZ 3.51Å; L381-F443 HydrophobicContact CD1-CE1 3.98Å; L381-F443 HydrophobicContact CD1-CZ 3.99Å; L381-F443 HydrophobicContact CD2-CE1 4.44Å; L381-F443 HydrophobicContact CD2-CZ 4.28Å; M383-F443 HydrophobicContact CE-CE2 4.06Å; M383-F443 HydrophobicContact CE-CZ 4.09Å; E429-F443 CarbonylContact C-O 3.49Å; E429-F443 VanDerWaalsContact CA-O 3.31Å; E429-F443 WeakPolarHBondContact CA-O 3.41Å; L430-F443 HydrophobicContact CB-CB 4.4Å; L430-F443 PolarHBondContact N-O 2.7Å; L430-F443 PolarHBondContact O-N 3.4Å; V432-F443 HydrophobicContact CB-CD2 3.99Å; V432-F443 HydrophobicContact CB-CE2 3.86Å; V432-F443 HydrophobicContact CG1-CE2 4.4Å; V432-F443 HydrophobicContact CG2-CD2 3.52Å; V432-F443 HydrophobicContact CG2-CE2 3.81Å; V441-F443 HydrophobicContact CB-CE2 3.91Å; V441-F443 HydrophobicContact CG1-CD2 4.06Å; V441-F443 HydrophobicContact CG1-CE2 3.42Å; V441-F443 VanDerWaalsContact CG1-CE2 3.42Å; V441-F443 HydrophobicContact CG1-CZ 3.77Å
444K93.8Very high90.4Very high75 Ų7548.8 Ų48.833%0.32628%0.283SS..EExtended strand (participates in β ladder)trans-91.6114.7174-169.7168.8-173.3167.90109.9P357 Q358 N359 I360 G427 H446P357-K444 HydrophobicContact CB-CB 4.14Å; Q358-K444 PolarHBondContact O-N 3.43Å; N359-K444 WeakPolarHBondContact CA-O 3.16Å; I360-K444 PolarHBondContact N-O 2.94Å; G427-K444 WeakPolarHBondContact O-CE 3.42Å; K444-H446 PolarHBondContact O-CD2 3.46Å
445L94.4Very high90.2Very high0 Ų051.2 Ų51.20%030%0.297CS..EExtended strand (participates in β ladder)trans-76.9124.3-179.2-179.262.4000110.5I360 F362 L419 L424 G427 Q428 F447I360-L445 HydrophobicContact CD1-CD1 4.13Å; I360-L445 HydrophobicContact CG1-CD1 4.09Å; F362-L445 HydrophobicContact CB-CD1 4.26Å; F362-L445 HydrophobicContact CD2-CD1 4.21Å; L419-L445 HydrophobicContact CD1-CD1 4.02Å; L419-L445 HydrophobicContact CD1-CD2 4.26Å; L424-L445 HydrophobicContact CB-CD2 4.06Å; L424-L445 HydrophobicContact CD1-CD2 4.23Å; G427-L445 VanDerWaalsContact CA-O 3.25Å; G427-L445 WeakPolarHBondContact CA-O 3.49Å; G427-L445 PolarHBondContact N-O 3.34Å; Q428-L445 WeakPolarHBondContact O-CB 3.29Å; Q428-L445 PolarHBondContact O-N 3.16Å; L445-F447 HydrophobicContact CD1-CD1 4.46Å; L445-F447 HydrophobicContact CD1-CE1 4.26Å; L445-F447 HydrophobicContact CD2-CD1 4.36Å; L445-F447 HydrophobicContact CD2-CE1 3.57Å; L445-F447 HydrophobicContact CD2-CZ 3.86Å; L445-F447 HydrophobicContact CG-CD1 4.23Å; L445-F447 HydrophobicContact CG-CE1 3.92Å
446H94.5Very high90.2Very high56 Ų5648.5 Ų48.526%0.25928%0.28SS..EExtended strand (participates in β ladder)trans-115122.9171.9-67.8-81000110N359 I360 Q361 F362 D426 K444 T448N359-H446 PolarHBondContact OD1-CD2 2.95Å; N359-H446 PolarHBondContact OD1-NE2 3.26Å; I360-H446 PolarHBondContact O-N 3.18Å; Q361-H446 WeakPolarHBondContact CA-O 3.31Å; Q361-H446 HydrophobicContact CG-CB 4.35Å; F362-H446 PolarHBondContact N-O 3.16Å; F362-H446 VanDerWaalsContact N-O 3.11Å; D426-H446 VanDerWaalsContact OD1-CA 3.25Å; D426-H446 WeakPolarHBondContact OD1-CA 3.49Å; K444-H446 PolarHBondContact O-CD2 3.46Å; H446-T448 PolarHBondContact O-N 2.9Å
447F94.3Very high90.3Very high49 Ų4952.2 Ų52.222%0.21530%0.302CS..EExtended strand (participates in β ladder)trans-80.8116.4176.6-74-28.4000111.4F362 P364 L419 L424 D426 L445F362-F447 CarbonylContact O-C 3.53Å; F362-F447 VanDerWaalsContact O-CA 3.28Å; F362-F447 WeakPolarHBondContact O-CA 3.46Å; P364-F447 HydrophobicContact CB-CD1 4.15Å; P364-F447 HydrophobicContact CB-CD2 4.07Å; P364-F447 HydrophobicContact CB-CE1 4.24Å; P364-F447 HydrophobicContact CB-CE2 4.17Å; P364-F447 HydrophobicContact CB-CG 4.09Å; P364-F447 HydrophobicContact CB-CZ 4.26Å; L419-F447 HydrophobicContact CB-CE1 3.77Å; L419-F447 HydrophobicContact CB-CZ 3.94Å; L419-F447 HydrophobicContact CD1-CE1 3.8Å; L419-F447 HydrophobicContact CG-CE1 4.43Å; L424-F447 HydrophobicContact CB-CZ 4.31Å; L424-F447 WeakPolarHBondContact O-CE2 3.25Å; D426-F447 HydrophobicContact CB-CB 4.3Å; D426-F447 HydrophobicContact CB-CD2 3.87Å; D426-F447 HydrophobicContact CB-CG 4.37Å; D426-F447 PolarHBondContact OD1-N 3.15Å; L445-F447 HydrophobicContact CD1-CD1 4.46Å; L445-F447 HydrophobicContact CD1-CE1 4.26Å; L445-F447 HydrophobicContact CD2-CD1 4.36Å; L445-F447 HydrophobicContact CD2-CE1 3.57Å; L445-F447 HydrophobicContact CD2-CZ 3.86Å; L445-F447 HydrophobicContact CG-CD1 4.23Å; L445-F447 HydrophobicContact CG-CE1 3.92Å
448T89.3Confident90.4Very high57 Ų5755.4 Ų55.435%0.3532%0.32SS..  trans-80.7140.6168.653.30000109.5Q361 F362 S363 P364 H446Q361-T448 HydrophobicContact CB-CG2 3.85Å; Q361-T448 HydrophobicContact CG-CG2 4.31Å; F362-T448 VanDerWaalsContact C-OG1 3.3Å; F362-T448 PolarHBondContact O-N 3.36Å; F362-T448 PolarHBondContact O-OG1 3.02Å; S363-T448 PolarHBondContact N-OG1 3.08Å; P364-T448 VanDerWaalsContact CD-O 3.28Å; P364-T448 WeakPolarHBondContact CD-O 3.28Å; H446-T448 PolarHBondContact O-N 2.9Å
449S72Confident90.8Very high181 Ų18155.7 Ų55.7100%1.26632%0.318SS*.  trans-60.70-172.9-55.90000114

Retrieved 449 of 449 residues in 84.5 ms (Link to these results)

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