A0A3B3UEW3_9TELE Loading...

CDC42 effector protein 4

AlphaFold DB , UniProt , Accession A0A3B3UEW3, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 321 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M46.5Very low55.4Low232 Ų232149.4 Ų149.4100%1.14383%0.826SS**  0136.70-60.8-169.7-73.400108.2
2P53.2Low55.4Low131 Ų131146.7 Ų146.785%0.85181%0.81SS**  trans-74.1149.8174.231.9-33.9000110.9
3I54.9Low55.6Low160 Ų160149.2 Ų149.282%0.82181%0.812SS**  trans-84.2128.7179.5-63.3170.9000109.4K5I3-K5 PolarHBondContact O-N 3.22Å
4L60.7Low55.4Low163 Ų163144.9 Ų144.985%0.85380%0.798SS**  trans-71.796.3179.2-155.185.2000110.2Q6L4-Q6 PolarHBondContact O-N 3.46Å
5K64.9Low55.2Low183 Ų183148.3 Ų148.380%0.79680%0.802SS**  trans-70.9113.7171.2-75.9-171.7174.6-176.30109.3I3 L7I3-K5 PolarHBondContact O-N 3.22Å; K5-L7 PolarHBondContact O-N 3.43Å
6Q59.9Low55.6Low176 Ų176152 Ų15282%0.82280%0.801SS**  trans-64.1105.6174.4-65.2172.4-73.500110L4 T8L4-Q6 PolarHBondContact O-N 3.46Å; Q6-T8 PolarHBondContact O-N 2.81Å; Q6-T8 VanDerWaalsContact O-N 3.15Å
7L56.1Low56.1Low164 Ų164157.1 Ų157.186%0.85981%0.806SS**  trans-77.486.7152.6-79.986.5000107.1K5 G9K5-L7 PolarHBondContact O-N 3.43Å; L7-G9 PolarHBondContact O-N 3.24Å; L7-G9 VanDerWaalsContact O-N 3.14Å
8T50.8Low56.5Low107 Ų107154.5 Ų154.566%0.65681%0.805SS**  trans-50.9119.7160.4-60.20000107.4Q6 N10Q6-T8 PolarHBondContact O-N 2.81Å; Q6-T8 VanDerWaalsContact O-N 3.15Å; T8-N10 PolarHBondContact O-N 2.83Å; T8-N10 PolarHBondContact O-OD1 3.26Å
9G53Low57.4Low70 Ų70158.5 Ų158.572%0.72281%0.808SS**  trans-61.1102.3-173.400000111.4L7 S11L7-G9 PolarHBondContact O-N 3.24Å; L7-G9 VanDerWaalsContact O-N 3.14Å; G9-S11 PolarHBondContact O-N 2.69Å
10N52.9Low58.5Low139 Ų139154.3 Ų154.374%0.74380%0.799SS**  trans-68.180172.9-74.193.2000109.7T8 N12T8-N10 PolarHBondContact O-N 2.83Å; T8-N10 PolarHBondContact O-OD1 3.26Å; N10-N12 PolarHBondContact O-N 2.8Å
11S56.5Low59.7Low118 Ų118154 Ų15483%0.82580%0.798SS**  trans-69.764.1174.1-173.70000111.1G9G9-S11 PolarHBondContact O-N 2.69Å
12N55.5Low61.7Low117 Ų117148.3 Ų148.363%0.62677%0.772SS**  trans-132.120.5-169.8-82.4-78.2000112.1N10N10-N12 PolarHBondContact O-N 2.8Å
13Q58.5Low63.5Low179 Ų179145.4 Ų145.484%0.83675%0.752SS**  trans-121.836.8178.7-66.3-63.6-7.500113.3
14S51.9Low65.3Low89 Ų89143.7 Ų143.762%0.62275%0.749SS**  trans-115.358.7157.8-1670000111.4R16S14-R16 PolarHBondContact O-N 2.67Å
15K53.1Low66.8Low196 Ų196144.9 Ų144.985%0.85275%0.75SS**  trans-75.713.2155.2-70.6-173.8179.4179.20112.5R17K15-R17 PolarHBondContact O-N 3.05Å
16R61Low68.2Low208 Ų208142 Ų14279%0.78574%0.74SS**SBendtrans-54.9111.4149.2-62.117775.3-174.66.5105.1S14 S18S14-R16 PolarHBondContact O-N 2.67Å; R16-S18 PolarHBondContact O-N 3.03Å; R16-S18 VanDerWaalsContact O-N 3.11Å
17R64.3Low69.8Low238 Ų238138.3 Ų138.390%0.89873%0.725SS**  trans-46.2123.9177.2-53.3175.2-163.6-143.21.6106.6K15 R19K15-R17 PolarHBondContact O-N 3.05Å; R17-R19 PolarHBondContact O-N 3.24Å
18S63.6Low71.6Confident111 Ų111134.4 Ų134.478%0.77671%0.712SS**  trans-52.9119.2169.934.70000106.2R16 A20R16-S18 PolarHBondContact O-N 3.03Å; R16-S18 VanDerWaalsContact O-N 3.11Å; S18-A20 VanDerWaalsContact C-N 3.28Å; S18-A20 PolarHBondContact O-N 3.32Å
19R73Confident73.6Confident230 Ų230133 Ų13387%0.86871%0.712SS**  trans-64.1104.4165.5-76.1178167.3168.7-6.3103R17 D21R17-R19 PolarHBondContact O-N 3.24Å; R19-D21 PolarHBondContact O-N 3.15Å
20A79.6Confident75.5Confident75 Ų75135.4 Ų135.462%0.6271%0.714SS**  trans-53126.1-177.300000107.6S18 L22S18-A20 VanDerWaalsContact C-N 3.28Å; S18-A20 PolarHBondContact O-N 3.32Å; A20-L22 PolarHBondContact O-N 3.2Å
21D84.7Confident77.4Confident148 Ų148135.6 Ų135.679%0.79172%0.715SS**  trans-60.4110.8-171.7-60-67.2000108.6R19 T23R19-D21 PolarHBondContact O-N 3.15Å; D21-T23 PolarHBondContact O-N 3.44Å
22L88Confident79.2Confident112 Ų112132.1 Ų132.159%0.58670%0.697SS**  trans-75.498-166.6-174.869.5000108.8A20 M26 I27A20-L22 PolarHBondContact O-N 3.2Å; L22-M26 HydrophobicContact CD1-CB 3.58Å; L22-M26 HydrophobicContact CD1-CE 3.92Å; L22-M26 HydrophobicContact CD1-CG 4.46Å; L22-M26 HydrophobicContact CD1-SD 4.15Å; L22-M26 HydrophobicContact CG-CB 4.44Å; L22-I27 HydrophobicContact CD2-CD1 3.91Å; L22-I27 HydrophobicContact CD2-CG1 3.88Å; L22-I27 HydrophobicContact CG-CD1 4.21Å; L22-I27 HydrophobicContact CG-CG1 4Å
23T90.9Very high81Confident71 Ų71132.3 Ų132.344%0.43670%0.698SS.*  trans-67.1154.5177690000110.2D21 E25 M26D21-T23 PolarHBondContact O-N 3.44Å; T23-E25 PolarHBondContact O-N 3.14Å; T23-M26 WeakPolarHBondContact O-CB 3.43Å; T23-M26 PolarHBondContact O-N 2.76Å; T23-M26 WeakPolarHBondContact OG1-CG 3.49Å
24V92.9Very high82.5Confident123 Ų123133 Ų13375%0.74570%0.699SS**G310 helixtrans-59.4-32.8-180-177.70000111.3M26 I27V24-M26 PolarHBondContact O-N 3.4Å; V24-I27 WeakPolarHBondContact O-CB 3.25Å; V24-I27 PolarHBondContact O-N 2.88Å
25E91.6Very high84.4Confident189 Ų189138.1 Ų138.188%0.88371%0.705SS**G310 helixtrans-63.4-23175.6-59.6177169.400113.8T23 I27T23-E25 PolarHBondContact O-N 3.14Å; E25-I27 VanDerWaalsContact C-N 3.28Å
26M94.9Very high86.2Confident121 Ų121136.2 Ų136.260%0.59670%0.698SS**G310 helixtrans-83.1-4.6174-63.517568.300112.8L22 T23 V24L22-M26 HydrophobicContact CD1-CB 3.58Å; L22-M26 HydrophobicContact CD1-CE 3.92Å; L22-M26 HydrophobicContact CD1-CG 4.46Å; L22-M26 HydrophobicContact CD1-SD 4.15Å; L22-M26 HydrophobicContact CG-CB 4.44Å; T23-M26 WeakPolarHBondContact O-CB 3.43Å; T23-M26 PolarHBondContact O-N 2.76Å; T23-M26 WeakPolarHBondContact OG1-CG 3.49Å; V24-M26 PolarHBondContact O-N 3.4Å
27I92.3Very high87.7Confident99 Ų99129.9 Ų129.951%0.50868%0.683SS.*SBendtrans-106.4106.7179.1-54.2177000108L22 V24 E25L22-I27 HydrophobicContact CD2-CD1 3.91Å; L22-I27 HydrophobicContact CD2-CG1 3.88Å; L22-I27 HydrophobicContact CG-CD1 4.21Å; L22-I27 HydrophobicContact CG-CG1 4Å; V24-I27 WeakPolarHBondContact O-CB 3.25Å; V24-I27 PolarHBondContact O-N 2.88Å; E25-I27 VanDerWaalsContact C-N 3.28Å
28S94.1Very high89Confident83 Ų83119.9 Ų119.958%0.5865%0.647SS**PPolyproline II helixtrans-64.1149.1174.557.90000111.6
29A94.1Very high90.4Very high78 Ų78119.6 Ų119.665%0.64563%0.633SS**PPolyproline II helixtrans-56.2158.2165.300000111.5L31A29-L31 PolarHBondContact O-N 3.31Å
30P92.8Very high91.2Very high120 Ų120112.8 Ų112.878%0.77962%0.617SS**PPolyproline II helixtrans-53.7126.3178.2-26.835.6000112.2G32P30-G32 PolarHBondContact O-N 3.21Å
31L93.1Very high91.6Very high143 Ų143110.1 Ų110.175%0.74960%0.596SS**  trans-80.76.9-168.7-69.1168000114.1A29 D33A29-L31 PolarHBondContact O-N 3.31Å; L31-D33 VanDerWaalsContact C-N 3.29Å
32G93.1Very high91.7Very high45 Ų45116 Ų11646%0.46461%0.608SS.*  trans71.821.6-174.600000113.8P30 F34P30-G32 PolarHBondContact O-N 3.21Å; G32-F34 WeakPolarHBondContact O-CD2 3.22Å; G32-F34 PolarHBondContact O-N 3.33Å
33D93Very high91.7Very high121 Ų121114.5 Ų114.565%0.64762%0.619SS**  trans-73.742.417863.9-50000113L31 R35L31-D33 VanDerWaalsContact C-N 3.29Å; D33-R35 PolarHBondContact O-N 2.74Å
34F91.1Very high91.4Very high194 Ų194114.3 Ų114.385%0.85163%0.632SS**  trans-63.9101.6-177.5-68-71.1000111.6G32G32-F34 WeakPolarHBondContact O-CD2 3.22Å; G32-F34 PolarHBondContact O-N 3.33Å
35R91.3Very high91.3Very high195 Ų195114.2 Ų114.274%0.73663%0.627SS**  trans-99.8126.7175-67.4172.165.3-100.8-3.9109.8D33 T37D33-R35 PolarHBondContact O-N 2.74Å; R35-T37 PolarHBondContact O-N 2.99Å
36H91.8Very high91.2Very high156 Ų156107.3 Ų107.372%0.72260%0.602SS**  trans-71.4100176.2-169.971.5000110.1M38H36-M38 PolarHBondContact CE1-O 2.99Å; H36-M38 PolarHBondContact ND1-O 2.97Å; H36-M38 PolarHBondContact NE2-O 3.17Å
37T90.8Very high90.9Very high76 Ų76109.5 Ų109.547%0.46661%0.609SS.*  trans-95.3-12.4-178.7520000114.1R35 G48 D49R35-T37 PolarHBondContact O-N 2.99Å; T37-G48 CarbonylContact O-C 3.58Å; T37-G48 VanDerWaalsContact O-CA 3.3Å; T37-G48 WeakPolarHBondContact O-CA 3.36Å; T37-D49 PolarHBondContact O-N 3.38Å
38M92.1Very high90.9Very high27 Ų27106.6 Ų106.613%0.13360%0.603CS.*EExtended strand (participates in β ladder)trans-150.4136-176.7178.1-158.2-57.100111.7H36 V40 F47 D49 T50 F52 L53H36-M38 PolarHBondContact CE1-O 2.99Å; H36-M38 PolarHBondContact ND1-O 2.97Å; H36-M38 PolarHBondContact NE2-O 3.17Å; M38-V40 HydrophobicContact CG-CG2 4Å; M38-V40 HydrophobicContact SD-CG2 3.35Å; M38-V40 WeakPolarHBondContact SD-CG2 3.46Å; M38-F47 CarbonylContact C-O 3.54Å; M38-F47 VanDerWaalsContact CA-O 3.27Å; M38-F47 WeakPolarHBondContact CA-O 3.4Å; M38-D49 WeakPolarHBondContact CE-O 3.42Å; M38-T50 HydrophobicContact CE-CG2 3.67Å; M38-T50 HydrophobicContact CG-CG2 4.1Å; M38-T50 HydrophobicContact SD-CG2 4Å; M38-F52 HydrophobicContact CE-CD1 4.28Å; M38-F52 HydrophobicContact CE-CE1 3.29Å; M38-F52 HydrophobicContact CE-CE2 4.16Å; M38-F52 HydrophobicContact CE-CZ 3.22Å; M38-F52 HydrophobicContact SD-CZ 4.34Å; M38-L53 HydrophobicContact CE-CD1 4Å; M38-L53 HydrophobicContact CE-CG 4.35Å; M38-L53 HydrophobicContact SD-CD1 4.13Å
39H92.8Very high90.7Very high106 Ų106106.9 Ų106.949%0.49160%0.598SS.*EExtended strand (participates in β ladder)trans-103.3140.1160.5-178.179.4000110.8A46 F47H39-A46 WeakPolarHBondContact O-CA 3.48Å; H39-F47 PolarHBondContact N-O 3.01Å; H39-F47 PolarHBondContact O-N 2.97Å
40V91.2Very high90.4Very high86 Ų86105.8 Ų105.852%0.52158%0.584SS.*EExtended strand (participates in β ladder)trans-125.5116.8168.7-175.20000108.6M38 A46M38-V40 HydrophobicContact CG-CG2 4Å; M38-V40 HydrophobicContact SD-CG2 3.35Å; M38-V40 WeakPolarHBondContact SD-CG2 3.46Å; V40-A46 HydrophobicContact CG2-CB 4.31Å
41G88.1Confident90Very high19 Ų19103.6 Ų103.620%0.19657%0.571CS.*  trans-86.9156.6-17400000113.9G43 G44 D45G41-G43 VanDerWaalsContact C-N 3.27Å; G41-G43 PolarHBondContact O-N 2.95Å; G41-G44 PolarHBondContact O-N 2.98Å; G41-D45 PolarHBondContact N-O 3.26Å
42R87.1Confident89.5Confident272 Ų272102.1 Ų102.1100%1.02656%0.559SS**THydrogen-bonded Turntrans-65.785.9167.2-94.7-176.8158.4134.5-5.9109.9
43G86.3Confident88.9Confident81 Ų81103.9 Ų103.984%0.83556%0.557SS**THydrogen-bonded Turntrans158-12.2-176.100000114.1G41 D45G41-G43 VanDerWaalsContact C-N 3.27Å; G41-G43 PolarHBondContact O-N 2.95Å; G43-D45 VanDerWaalsContact C-N 3.33Å
44G86.3Confident88.1Confident67 Ų67102.6 Ų102.669%0.69156%0.558SS**SBendtrans87.12.2-175.500000113.9G41G41-G44 PolarHBondContact O-N 2.98Å
45D90Very high87.1Confident121 Ų12197.5 Ų97.565%0.64755%0.546SS*.  trans-66.3136.4163-174.823.7000109.7G41 G43G41-D45 PolarHBondContact N-O 3.26Å; G43-D45 VanDerWaalsContact C-N 3.33Å
46A89.4Confident85.6Confident44 Ų4498.7 Ų98.736%0.36455%0.55SS.*EExtended strand (participates in β ladder)trans-146.9127.9-176.100000110.3H39 V40 T50H39-A46 WeakPolarHBondContact O-CA 3.48Å; V40-A46 HydrophobicContact CG2-CB 4.31Å; A46-T50 HydrophobicContact CB-CG2 4.06Å
47F88.3Confident84Confident166 Ų16695 Ų9573%0.72854%0.542SS*.EExtended strand (participates in β ladder)trans-130.7142.9-174.9-177.5-95.7000110.7M38 H39M38-F47 CarbonylContact C-O 3.54Å; M38-F47 VanDerWaalsContact CA-O 3.27Å; M38-F47 WeakPolarHBondContact CA-O 3.4Å; H39-F47 PolarHBondContact N-O 3.01Å; H39-F47 PolarHBondContact O-N 2.97Å
48G92.3Very high82.3Confident38 Ų3894.9 Ų94.939%0.39256%0.556SS.*EExtended strand (participates in β ladder)trans98.3-162.8-171.900000112.9T37 T50T37-G48 CarbonylContact O-C 3.58Å; T37-G48 VanDerWaalsContact O-CA 3.3Å; T37-G48 WeakPolarHBondContact O-CA 3.36Å; G48-T50 PolarHBondContact O-N 3.23Å
49D90.2Very high80.6Confident89 Ų8998.2 Ų98.248%0.47657%0.572SS.*  trans-78.993.9-171.6-175.64.6000112.4T37 M38 S51 F52T37-D49 PolarHBondContact O-N 3.38Å; M38-D49 WeakPolarHBondContact CE-O 3.42Å; D49-S51 WeakPolarHBondContact OD1-CB 3.43Å; D49-S51 PolarHBondContact OD1-N 2.67Å; D49-S51 VanDerWaalsContact OD1-N 3.08Å; D49-S51 PolarHBondContact OD1-OG 2.75Å; D49-F52 WeakPolarHBondContact O-CE1 3.5Å
50T87.1Confident78.7Confident56 Ų5698 Ų9834%0.34458%0.579SS.*  trans-92.97.817753.30000114.3M38 A46 G48 F52 L53M38-T50 HydrophobicContact CE-CG2 3.67Å; M38-T50 HydrophobicContact CG-CG2 4.1Å; M38-T50 HydrophobicContact SD-CG2 4Å; A46-T50 HydrophobicContact CB-CG2 4.06Å; G48-T50 PolarHBondContact O-N 3.23Å; T50-F52 VanDerWaalsContact C-N 3.28Å; T50-F52 PolarHBondContact O-N 2.92Å; T50-L53 HydrophobicContact CG2-CD1 4.32Å; T50-L53 WeakPolarHBondContact O-CB 3.39Å; T50-L53 PolarHBondContact O-N 3.17Å
51S84.1Confident76.8Confident73 Ų7399.9 Ų99.951%0.5159%0.594SS.*Hα-helixtrans-54-41-17559.20000113.5D49 L53 S54D49-S51 WeakPolarHBondContact OD1-CB 3.43Å; D49-S51 PolarHBondContact OD1-N 2.67Å; D49-S51 VanDerWaalsContact OD1-N 3.08Å; D49-S51 PolarHBondContact OD1-OG 2.75Å; S51-L53 PolarHBondContact O-N 3.09Å; S51-S54 WeakPolarHBondContact O-CB 3.47Å; S51-S54 PolarHBondContact O-N 3.43Å; S51-S54 VanDerWaalsContact O-N 3.16Å
52F82.6Confident75.1Confident112 Ų112108.7 Ų108.749%0.49162%0.621SS.*Hα-helixtrans-70.6-11.5179.769.9-98.5000115M38 D49 T50 S55M38-F52 HydrophobicContact CE-CD1 4.28Å; M38-F52 HydrophobicContact CE-CE1 3.29Å; M38-F52 HydrophobicContact CE-CE2 4.16Å; M38-F52 HydrophobicContact CE-CZ 3.22Å; M38-F52 HydrophobicContact SD-CZ 4.34Å; D49-F52 WeakPolarHBondContact O-CE1 3.5Å; T50-F52 VanDerWaalsContact C-N 3.28Å; T50-F52 PolarHBondContact O-N 2.92Å; F52-S55 PolarHBondContact O-OG 3.49Å
53L80.7Confident72.9Confident83 Ų83103 Ų10344%0.43561%0.606SS.*Hα-helixtrans-82-31.4171.9-62177.7000111.2M38 T50 S51M38-L53 HydrophobicContact CE-CD1 4Å; M38-L53 HydrophobicContact CE-CG 4.35Å; M38-L53 HydrophobicContact SD-CD1 4.13Å; T50-L53 HydrophobicContact CG2-CD1 4.32Å; T50-L53 WeakPolarHBondContact O-CB 3.39Å; T50-L53 PolarHBondContact O-N 3.17Å; S51-L53 PolarHBondContact O-N 3.09Å
54S76.5Confident71Confident94 Ų94104.6 Ų104.666%0.65760%0.604SS**Hα-helixtrans-66.3-39.9179.2-167.90000112.3S51 R56 S57S51-S54 WeakPolarHBondContact O-CB 3.47Å; S51-S54 PolarHBondContact O-N 3.43Å; S51-S54 VanDerWaalsContact O-N 3.16Å; S54-R56 PolarHBondContact O-N 3.29Å; S54-R56 VanDerWaalsContact O-N 3.09Å; S54-S57 PolarHBondContact O-N 3.09Å
55S70.3Confident68.7Low87 Ų87109 Ų10961%0.60861%0.606SS**G310 helixtrans-69.2-4.8-177.751.30000115.1F52 S57 G58F52-S55 PolarHBondContact O-OG 3.49Å; S55-S57 PolarHBondContact O-N 3.34Å; S55-G58 PolarHBondContact O-N 3.17Å
56R61Low66.4Low219 Ų219108.8 Ų108.883%0.82661%0.61SS**G310 helixtrans-70.5-8.5175-80.9-174.1168.1-103.30.3114.7S54 G58S54-R56 PolarHBondContact O-N 3.29Å; S54-R56 VanDerWaalsContact O-N 3.09Å; R56-G58 VanDerWaalsContact C-N 3.32Å
57S57.2Low64.2Low78 Ų78115 Ų11555%0.54563%0.629SS.*G310 helixtrans-69.2-29.3173.361.80000113.2S54 S55 E59S54-S57 PolarHBondContact O-N 3.09Å; S55-S57 PolarHBondContact O-N 3.34Å; S57-E59 PolarHBondContact O-N 3.11Å; S57-E59 VanDerWaalsContact O-N 3.09Å; S57-E59 PolarHBondContact OG-N 3.05Å
58G54.8Low61.9Low74 Ų74114.4 Ų114.476%0.76363%0.628SS**  trans62.15.6-166.400000114S55 R56S55-G58 PolarHBondContact O-N 3.17Å; R56-G58 VanDerWaalsContact C-N 3.32Å
59E55.7Low59.4Low98 Ų98118 Ų11846%0.45865%0.648SS.*  trans-91.4131.6-175.7-168.7173.8-165.100109.3S57 R62S57-E59 PolarHBondContact O-N 3.11Å; S57-E59 VanDerWaalsContact O-N 3.09Å; S57-E59 PolarHBondContact OG-N 3.05Å; E59-R62 IonicContact OE1-CZ 3.13Å; E59-R62 IonicContact OE1-NE 2.63Å; E59-R62 PolarHBondContact OE1-NE 3.26Å; E59-R62 IonicContact OE1-NH2 2.67Å; E59-R62 PolarHBondContact OE1-NH2 2.92Å
60P53.7Low57Low100 Ų100119.2 Ų119.265%0.64966%0.663SS**  trans-59.6147.9176.925.7-34.8000110.4R62P60-R62 PolarHBondContact O-N 2.8Å
61P52.2Low55.5Low127 Ų127122.6 Ų122.683%0.82569%0.686SS**  trans-54.2110.2178.8-25.734.6000110.9E63P61-E63 PolarHBondContact O-N 3.19Å
62R51.7Low53.3Low204 Ų204122 Ų12277%0.7769%0.691SS**  trans-64.2120.6176.1-70.6-168.6180-147.31.5108.5E59 P60E59-R62 IonicContact OE1-CZ 3.13Å; E59-R62 IonicContact OE1-NE 2.63Å; E59-R62 PolarHBondContact OE1-NE 3.26Å; E59-R62 IonicContact OE1-NH2 2.67Å; E59-R62 PolarHBondContact OE1-NH2 2.92Å; P60-R62 PolarHBondContact O-N 2.8Å
63E41.4Very low51.8Low152 Ų152123 Ų12371%0.7171%0.709SS**  trans-57.9146.1-177.8-62.9-176.9152.200111.4P61 H65P61-E63 PolarHBondContact O-N 3.19Å; E63-H65 VanDerWaalsContact C-N 3.26Å; E63-H65 PolarHBondContact O-N 3.05Å; E63-H65 IonicContact OE2-CE1 2.75Å
64S45.5Very low50.7Low115 Ų115128.4 Ų128.480%0.80473%0.729SS**  trans-75.975.3-177.458.60000111.5T66S64-T66 PolarHBondContact O-N 3.16Å
65H37.5Very low49.6Very low158 Ų158129.6 Ų129.673%0.73173%0.734SS**  trans-66.599.4172.5-54.1-42.2000110E63E63-H65 VanDerWaalsContact C-N 3.26Å; E63-H65 PolarHBondContact O-N 3.05Å; E63-H65 IonicContact OE2-CE1 2.75Å
66T43Very low48.7Very low118 Ų118127.6 Ų127.672%0.72473%0.727SS**  trans-68130.8173.845.50000111.1S64S64-T66 PolarHBondContact O-N 3.16Å
67K42.8Very low48.9Very low175 Ų175125.9 Ų125.976%0.76173%0.733SS**  trans73.8152165.1-58.5162.6162.4-150.80114.3
68E40Very low49Very low153 Ų153130.2 Ų130.272%0.71575%0.75SS**  cis-153.7153.29.6-137.3148.6-12100112.9
69S39.8Very low48.9Very low114 Ų114130.8 Ų130.880%0.79774%0.742SS**  trans75.3152156.482.20000122.5
70S39.2Very low49Very low113 Ų113135.9 Ų135.979%0.7976%0.757SS**  trans79131.2161.3-147.50000120.1
71P55.3Low48.7Very low127 Ų127137 Ų13783%0.82576%0.762SS**  trans-95.6144.8-176.236.8-34.1000114.2
72G38.8Very low49Very low61 Ų61139.6 Ų139.663%0.62976%0.761SS**  trans-160.7103.117200000112.8K74G72-K74 PolarHBondContact O-N 3.27Å
73P49.8Very low49.4Very low132 Ų132141.1 Ų141.186%0.85777%0.766SS**  trans-77.791.1-176.831.1-34.2000111.4P75P73-P75 WeakPolarHBondContact O-CD 3.19Å
74K57.8Low50.1Low198 Ų198139 Ų13986%0.86177%0.769SS**  trans-87110.8164.3-68.4-178.4-179.7177.60108.6G72 G76G72-K74 PolarHBondContact O-N 3.27Å; K74-G76 PolarHBondContact O-N 3.26Å; K74-G76 VanDerWaalsContact O-N 3.16Å
75P53.8Low50Low119 Ų119138.9 Ų138.977%0.77377%0.768SS**  trans-71.3111.1-178.928-33.4000110.6P73P73-P75 WeakPolarHBondContact O-CD 3.19Å
76G51.2Low51.1Low44 Ų44141.2 Ų141.245%0.45478%0.776SS.*  trans-65.2137.3165.500000110K74 L78 S79K74-G76 PolarHBondContact O-N 3.26Å; K74-G76 VanDerWaalsContact O-N 3.16Å; G76-L78 PolarHBondContact O-N 3.18Å; G76-S79 WeakPolarHBondContact O-CB 3.35Å; G76-S79 PolarHBondContact O-N 3.2Å; G76-S79 PolarHBondContact O-OG 2.97Å
77L64.9Low51.8Low183 Ų183146.5 Ų146.596%0.95878%0.783SS**THydrogen-bonded Turntrans-63.5-1.7-169-84.2163.9000116.2
78L60.3Low51.9Low170 Ų170143.5 Ų143.589%0.8978%0.783SS**THydrogen-bonded Turntrans-116-2176.3-60.9176.5000113.6G76 R80G76-L78 PolarHBondContact O-N 3.18Å; L78-R80 PolarHBondContact O-N 2.92Å
79S53.5Low52.4Low86 Ų86144.4 Ų144.460%0.60179%0.788SS**  trans-77.659-177.4-57.20000113G76 T81G76-S79 WeakPolarHBondContact O-CB 3.35Å; G76-S79 PolarHBondContact O-N 3.2Å; G76-S79 PolarHBondContact O-OG 2.97Å; S79-T81 PolarHBondContact O-N 2.87Å
80R56.4Low52.6Low205 Ų205143.4 Ų143.477%0.77478%0.781SS**  trans-70.891.4172.2-174.4173.2-66.4-109.8-0.5109.5L78 F82L78-R80 PolarHBondContact O-N 2.92Å; R80-F82 HydrophobicContact CG-CE2 4.2Å; R80-F82 HydrophobicContact CG-CZ 4.41Å; R80-F82 WeakPolarHBondContact O-CD2 3.02Å; R80-F82 PolarHBondContact O-N 3.24Å
81T48.5Very low53Low124 Ų124143.1 Ų143.176%0.76177%0.774SS**  trans-65.193.3177.752.50000110.9S79 R83S79-T81 PolarHBondContact O-N 2.87Å; T81-R83 PolarHBondContact O-N 3.01Å
82F57.9Low52.9Low180 Ų180144.6 Ų144.679%0.78978%0.775SS**  trans-64.3100.8165.7-75.6-79.2000108.8R80 S84R80-F82 HydrophobicContact CG-CE2 4.2Å; R80-F82 HydrophobicContact CG-CZ 4.41Å; R80-F82 WeakPolarHBondContact O-CD2 3.02Å; R80-F82 PolarHBondContact O-N 3.24Å; F82-S84 PolarHBondContact O-N 2.83Å
83R60.5Low53.3Low236 Ų236152.4 Ų152.489%0.89179%0.785SS**  trans-50.2132167.2-78.3173.9157.9-107.10.2108.4T81 S85T81-R83 PolarHBondContact O-N 3.01Å; R83-S85 PolarHBondContact O-N 3.16Å
84S54.9Low53.2Low108 Ų108153 Ų15376%0.75579%0.786SS**  trans-59100.9-173.436.60000111.9F82 K86F82-S84 PolarHBondContact O-N 2.83Å; S84-K86 VanDerWaalsContact C-N 3.26Å; S84-K86 PolarHBondContact O-N 2.97Å
85S44.1Very low52.3Low113 Ų113150.1 Ų150.179%0.7978%0.78SS**  trans-74.278.2179.1-167.60000110.9R83 R87R83-S85 PolarHBondContact O-N 3.16Å; S85-R87 PolarHBondContact O-N 2.87Å
86K60.9Low51.6Low206 Ų206151.3 Ų151.390%0.89677%0.773SS**  trans-72.356172.5-77.1-168.9171.1-174.50111.8S84S84-K86 VanDerWaalsContact C-N 3.26Å; S84-K86 PolarHBondContact O-N 2.97Å
87R57.1Low51.1Low230 Ų230157.9 Ų157.987%0.86879%0.786SS**  trans-154.775.4168.1-159.5173.6-176.4172.80.8114.6S85S85-R87 PolarHBondContact O-N 2.87Å
88S45.7Very low49.8Very low111 Ų111157.8 Ų157.878%0.77678%0.78SS**  trans-156.585.8133.9-161.70000110.6
89Q49.2Very low49.2Very low172 Ų172155.2 Ų155.280%0.80477%0.772SS**  trans-83.1108151.4-83-75.3-20.500105.5V91Q89-V91 VanDerWaalsContact C-N 3.28Å; Q89-V91 HydrophobicContact CB-CG2 4.17Å; Q89-V91 PolarHBondContact O-N 3.45Å
90S45.4Very low48.8Very low94 Ų94156.4 Ų156.466%0.65778%0.778SS**  trans-73.586.2171.353.90000108.6N92S90-N92 VanDerWaalsContact C-N 3.31Å; S90-N92 PolarHBondContact O-N 3.43Å
91V47.1Very low48.5Very low106 Ų106152.5 Ų152.564%0.64278%0.777SS**  trans-72.984.7-176.9-178.20000110Q89 R93Q89-V91 VanDerWaalsContact C-N 3.28Å; Q89-V91 HydrophobicContact CB-CG2 4.17Å; Q89-V91 PolarHBondContact O-N 3.45Å; V91-R93 HydrophobicContact CG1-CB 4.03Å; V91-R93 PolarHBondContact O-N 2.85Å
92N52.9Low48.8Very low158 Ų158154.4 Ų154.485%0.84578%0.781SS**  trans-78.470.1162.7-73.6-2.2000109.2S90S90-N92 VanDerWaalsContact C-N 3.31Å; S90-N92 PolarHBondContact O-N 3.43Å
93R48.2Very low48.3Very low225 Ų225151.4 Ų151.485%0.84978%0.78SS**  trans-138.297163.5-77.9-166.6171.397.60.4108.4V91V91-R93 HydrophobicContact CG1-CB 4.03Å; V91-R93 PolarHBondContact O-N 2.85Å
94V48Very low47.8Very low144 Ų144145 Ų14587%0.87377%0.771SS**  trans-105.9168.6157100.60000107.7
95D38.9Very low47.6Very low138 Ų138144.9 Ų144.974%0.73878%0.777SS**  trans-74.8166.4-146.6-88.1-72.5000119.6
96K38.2Very low47.7Very low144 Ų144142.8 Ų142.863%0.62677%0.766SS**  trans-63.4168.2166-36.8157.7-167.4163.70109.4
97Y41.1Very low47.2Very low182 Ų182138.3 Ų138.371%0.71476%0.756SS**  cis-142140.613.1-60.2-102.7000109.5
98E36.5Very low46.6Very low182 Ų182133.5 Ų133.585%0.8576%0.758SS**  -157.2153.6124.8-100.2-47.2155.300108.5
99T47.3Very low47.4Very low116 Ų116134.6 Ų134.671%0.71276%0.755SS**  trans-132.9131.2178.7-14.70000109.6
100P46.7Very low47.9Very low111 Ų111132.2 Ų132.272%0.72175%0.754SS**  -143.2154.19237.7-23.7000115.5
101T49.2Very low47.9Very low123 Ų123138.2 Ų138.276%0.75576%0.763SS**  trans42.9102.2150.556.80000119.3
102L54.6Low48.2Very low163 Ų163140.8 Ų140.885%0.85377%0.773SS**  trans-62.8157.3145.2-64.8174.5000109.9
103P47.6Very low47.8Very low117 Ų117139.4 Ų139.476%0.7677%0.766SS**  -119.5148.6103.134-34.8000113.5A105P103-A105 PolarHBondContact O-N 2.61Å
104S51.4Low47.6Very low102 Ų102132.8 Ų132.871%0.71376%0.759SS**  trans-64.2114.6169.3157.20000110.6A106S104-A106 VanDerWaalsContact C-N 3.32Å; S104-A106 PolarHBondContact OG-N 3.08Å
105A49.7Very low47.5Very low105 Ų105134.2 Ų134.287%0.86876%0.756SS**  trans-96.339.216900000112.4P103P103-A105 PolarHBondContact O-N 2.61Å
106A46.1Very low47.7Very low69 Ų69132.6 Ų132.657%0.5776%0.756SS**  trans-64.5132.3165.700000110.1S104S104-A106 VanDerWaalsContact C-N 3.32Å; S104-A106 PolarHBondContact OG-N 3.08Å
107T50.4Low48.1Very low112 Ų112130.4 Ų130.469%0.68776%0.759SS**  trans38102.3161.854.20000116.7L109T107-L109 PolarHBondContact O-N 3.06Å
108S45.3Very low48.5Very low129 Ų129128.8 Ų128.890%0.90276%0.762SS**  trans-67.775.7167.6590000111.9
109L61.8Low48.8Very low135 Ų135129.4 Ų129.471%0.70777%0.768SS**  trans-67.6134.2165.8-63176.8000108.6T107 Y111T107-L109 PolarHBondContact O-N 3.06Å; L109-Y111 PolarHBondContact O-N 3.06Å
110P59.6Low48.6Very low121 Ų121127.1 Ų127.179%0.78677%0.767SS**  trans-66.2104.2172.926.9-32.6000109L112P110-L112 PolarHBondContact O-N 2.98Å
111Y46.5Very low48.8Very low220 Ų220129.1 Ų129.186%0.86377%0.771SS**  trans-71.397.4-175.2-159.4-86.5000110L109 N113L109-Y111 PolarHBondContact O-N 3.06Å; Y111-N113 HydrophobicContact CD1-CB 4.04Å; Y111-N113 HydrophobicContact CE1-CB 4.27Å; Y111-N113 PolarHBondContact O-N 2.83Å
112L53Low48.7Very low160 Ų160132 Ų13284%0.83878%0.776SS**  trans-80.864.6-168.5-145.3172.5000111.6P110 A114P110-L112 PolarHBondContact O-N 2.98Å; L112-A114 HydrophobicContact CD2-CB 4.27Å
113N44.1Very low48.8Very low130 Ų130131.9 Ų131.970%0.69578%0.776SS**  trans-87.9113.1172-176.842.8000110Y111Y111-N113 HydrophobicContact CD1-CB 4.04Å; Y111-N113 HydrophobicContact CE1-CB 4.27Å; Y111-N113 PolarHBondContact O-N 2.83Å
114A42.7Very low49.2Very low86 Ų86132.4 Ų132.471%0.71178%0.779SS**  trans-135.569.8-175.100000111.4L112L112-A114 HydrophobicContact CD2-CB 4.27Å
115E47.5Very low48.8Very low173 Ų173136.8 Ų136.881%0.80879%0.785SS**  trans-13372.8175.4-168.160.5-91.400111.3
116S43.3Very low48.6Very low104 Ų104137.6 Ų137.673%0.72779%0.785SS**  trans-160.196.4160.762.50000111.9
117S45.7Very low48.6Very low99 Ų99141.4 Ų141.469%0.69280%0.801SS**  trans20.2112.1147.160.60000119.7
118N48.7Very low48.2Very low148 Ų148141.3 Ų141.379%0.79181%0.805SS**  trans49.594143.1-59.8-47.1000119.2
119M44Very low48Very low195 Ų195140.8 Ų140.896%0.96180%0.801SS**  trans-154.5135.8131.5-86.1-45.8151.500112.7
120G42.7Very low46.8Very low68 Ų68138.3 Ų138.370%0.70180%0.795SS**  trans45.7105.1146.900000121.7
121N50.8Low46.4Very low152 Ų152138.5 Ų138.581%0.81380%0.796SS**  trans24.4109.4138.3-54.1-5.5000119.4
122Q47.6Very low46.1Very low183 Ų183136 Ų13686%0.85580%0.795SS**  -167.7141.9114-78.2-41.49.900112.1
123L57Low45.8Very low161 Ų161138.2 Ų138.284%0.84380%0.797SS**  trans-113.9110175.7-80.9162000111.7K125L123-K125 VanDerWaalsContact C-N 3.32Å; L123-K125 PolarHBondContact O-N 3.03Å
124P54.5Low45.9Very low128 Ų128138.4 Ų138.483%0.83180%0.803SS**  trans-80.776.7172.232.3-33.2000112.2
125K43.8Very low45.9Very low194 Ų194142 Ų14284%0.84381%0.81SS**  trans20.2112147.7-57.1170.8-172.8173.60117.9L123L123-K125 VanDerWaalsContact C-N 3.32Å; L123-K125 PolarHBondContact O-N 3.03Å
126S46.2Very low45.9Very low123 Ų123140.2 Ų140.286%0.8681%0.81SS**  trans-61.4135.4169.8-41.80000113.2S128S126-S128 PolarHBondContact O-N 3.44Å
127V46.3Very low45.6Very low148 Ų148143.4 Ų143.490%0.89781%0.814SS**  trans-8483.8172.2-75.70000111.7
128S42.3Very low45.5Very low111 Ų111144.2 Ų144.278%0.77682%0.819SS**  trans-89.8100.3171.9-174.60000110.7S126 S130S126-S128 PolarHBondContact O-N 3.44Å; S128-S130 PolarHBondContact O-N 3.47Å
129S40.3Very low45.5Very low118 Ų118146.4 Ų146.483%0.82582%0.822SS**  trans-94.379.7178.356.50000111.7
130S37.3Very low45.7Very low82 Ų82142.1 Ų142.157%0.57381%0.809SS**  trans-87123.1171.3-173.40000110.8S128 M132S128-S130 PolarHBondContact O-N 3.47Å; S130-M132 PolarHBondContact O-N 2.65Å
131P49.4Very low45.8Very low126 Ų126147.4 Ų147.482%0.81882%0.817SS**  trans-75.2119.4-178.829.9-33.4000110.8
132M41.9Very low45.7Very low168 Ų168147.6 Ų147.683%0.82882%0.818SS**  trans-109.1147.9176.945.2-168.17000112.5S130S130-M132 PolarHBondContact O-N 2.65Å
133K46.3Very low45.4Very low206 Ų206142.6 Ų142.690%0.89682%0.816SS**  trans-68.8139.5-163.1-57.1173.5179.4179.90112.7
134T45.3Very low44.6Very low134 Ų134138.9 Ų138.982%0.82282%0.817SS**  trans-115.1121.7150.943.10000109.2
135L43.4Very low44.1Very low162 Ų162137.9 Ų137.985%0.84882%0.819SS**  trans-88.8113.7170.2171.366.5000107.6
136V47.1Very low44Very low134 Ų134132.9 Ų132.981%0.81281%0.814SS**  trans-132.7130.8162.5-176.10000107
137E37.7Very low43.8Very low172 Ų172135.7 Ų135.780%0.80482%0.815SS**  trans-102.8124.9-170.5-177.6171.6178.700111
138S43.2Very low43.6Very low116 Ų116132.7 Ų132.781%0.81181%0.806SS**  trans-143.5125164.253.40000110.5
139K47.7Very low43.6Very low194 Ų194133.1 Ų133.184%0.84380%0.804SS**  trans-84.6145.8-179.9-16362.7-178.5178.70108.8
140P48.6Very low43.8Very low105 Ų105135.7 Ų135.768%0.68281%0.805SS**  trans-84.9166.5-15733.7-38.5000114.9
141M45.8Very low43.8Very low178 Ų178137.4 Ų137.488%0.87781%0.808SS**  trans-105140.7162.7-175.457.569.500109.7
142N47.5Very low43.9Very low157 Ų157136.2 Ų136.284%0.8481%0.809SS**  trans-70.9152.5177.4-68.6-22.6000111.9
143G41.9Very low44.2Very low78 Ų78136.2 Ų136.280%0.80481%0.807SS**  trans171.182.6167.300000116.7
144G40.2Very low44.3Very low83 Ų83132.1 Ų132.186%0.85679%0.794SS**  trans76160.3165.100000116.2
145A43.8Very low44.4Very low107 Ų107130.6 Ų130.688%0.88478%0.781SS**  cis-142.4144.1-11.400000109.3
146A42.9Very low45Very low88 Ų88131.4 Ų131.473%0.72778%0.781SS**  trans-100.5137.2-177.900000110.9
147M40.9Very low45.2Very low183 Ų183135.3 Ų135.390%0.90178%0.781SS**  trans59.6128.9163.1-38.2-47.3-88.300118.2
148A41.1Very low46Very low85 Ų85134 Ų13470%0.70278%0.779SS**  trans-86.2165.7158.700000110.2
149T44.1Very low45.9Very low120 Ų120136.9 Ų136.974%0.73678%0.777SS**  trans62.5112.7177.367.70000113.8
150M43.4Very low46Very low171 Ų171131 Ų13184%0.84277%0.772SS**SBend-140.1159.963.3-66-60.8167.700114.2
151D38.3Very low45.9Very low118 Ų118133.2 Ų133.263%0.63177%0.773SS**  trans40.7111.7152.7-154.421.9000119.6L154D151-L154 WeakPolarHBondContact OD2-CD1 3.36Å
152A50.7Low46.1Very low102 Ų102132.6 Ų132.684%0.84377%0.772SS**SBendtrans-100.55.3-165.800000115.9
153E49.3Very low46.2Very low168 Ų168131.6 Ų131.679%0.78576%0.761SS**SBendtrans-109.40.4-174.6-67.6-166.7138.100115.2
154L47.8Very low46.7Very low120 Ų120135.5 Ų135.563%0.62876%0.763SS**SBendtrans-113.7-10.2-167.3-66.8-178.9000117.7D151D151-L154 WeakPolarHBondContact OD2-CD1 3.36Å
155D48Very low47.3Very low101 Ų101138.7 Ų138.754%0.5476%0.76SS.*  trans-101.86.2-175.9-159.843.1000115.4R157D155-R157 PolarHBondContact O-N 2.65Å
156E54.8Low47.6Very low180 Ų180139 Ų13984%0.84175%0.753SS**THydrogen-bonded Turntrans-65.56.6179.4-63.5-158.6143.100115.1
157R51Low48.2Very low216 Ų216140.7 Ų140.782%0.81576%0.756SS**THydrogen-bonded Turntrans-118.919.1-172.7-73.8-174.8-81.6131.6-4.9115.2D155D155-R157 PolarHBondContact O-N 2.65Å
158N54.4Low48.6Very low143 Ų143137.7 Ų137.777%0.76575%0.753SS**SBendtrans-133.41.6173.1-105.7-42.7000116.5
159F42.8Very low49Very low178 Ų178141.6 Ų141.678%0.78176%0.759SS**SBendtrans-87.2134.1172.3-77.3-85.6000111.7
160G48.1Very low49.5Very low71 Ų71141.8 Ų141.873%0.73276%0.762SS**PPolyproline II helixtrans-68.8167.4-169.700000115.1
161E47.8Very low49.8Very low151 Ų151143.1 Ų143.171%0.70676%0.763SS**PPolyproline II helixtrans-58.3135.6-171.3-149.1-179.3-170.100113.3K163E161-K163 HydrophobicContact CG-CD 4.15Å; E161-K163 HydrophobicContact CG-CG 4.34Å; E161-K163 PolarHBondContact O-N 3.14Å; E161-K163 WeakPolarHBondContact OE1-CE 3.46Å; E161-K163 IonicContact OE1-NZ 2.67Å; E161-K163 PolarHBondContact OE1-NZ 2.97Å; E161-K163 WeakPolarHBondContact OE2-CD 3.4Å; E161-K163 VanDerWaalsContact OE2-CE 3.25Å; E161-K163 WeakPolarHBondContact OE2-CE 3.36Å; E161-K163 IonicContact OE2-NZ 2.69Å; E161-K163 PolarHBondContact OE2-NZ 2.99Å
162L50Low50.6Low164 Ų164141.3 Ų141.386%0.85977%0.773SS**THydrogen-bonded Turntrans-77.758.5-164.8-149.3171.9000112.9
163K48.8Very low50.4Low137 Ų137139.5 Ų139.560%0.59676%0.764SS**THydrogen-bonded Turntrans-121.8-30.7-166-69.4-176.8178.3164.50116.6E161 L165E161-K163 HydrophobicContact CG-CD 4.15Å; E161-K163 HydrophobicContact CG-CG 4.34Å; E161-K163 PolarHBondContact O-N 3.14Å; E161-K163 WeakPolarHBondContact OE1-CE 3.46Å; E161-K163 IonicContact OE1-NZ 2.67Å; E161-K163 PolarHBondContact OE1-NZ 2.97Å; E161-K163 WeakPolarHBondContact OE2-CD 3.4Å; E161-K163 VanDerWaalsContact OE2-CE 3.25Å; E161-K163 WeakPolarHBondContact OE2-CE 3.36Å; E161-K163 IonicContact OE2-NZ 2.69Å; E161-K163 PolarHBondContact OE2-NZ 2.99Å; K163-L165 PolarHBondContact O-N 3.09Å
164D52.7Low50.5Low160 Ų160134.9 Ų134.986%0.85676%0.762SS**  trans-102.766.7-171.5-74-31.8000113.8
165L52.3Low50.9Low149 Ų149137.7 Ų137.778%0.7877%0.774SS**  trans-118.5127.3164.3-71.1178.2000110.7K163K163-L165 PolarHBondContact O-N 3.09Å
166P51Low51.5Low114 Ų114142.2 Ų142.274%0.7479%0.788SS**  trans-71.4144.7-18029.4-34.5000111.6S168P166-S168 PolarHBondContact O-N 2.89Å
167P55.8Low51.6Low124 Ų124142.7 Ų142.781%0.80579%0.788SS**  trans-66.8127.6-173.625.8-34.5000112.7M169P167-M169 PolarHBondContact O-N 2.92Å
168S48.4Very low51.6Low119 Ų119136.7 Ų136.783%0.83278%0.784SS**  trans-71.9109.4179.3580000112P166P166-S168 PolarHBondContact O-N 2.89Å
169M49.4Very low51.8Low168 Ų168138.6 Ų138.683%0.82879%0.789SS**  trans-68.1130175.5-73.4-73.5-7800111.7P167 K171P167-M169 PolarHBondContact O-N 2.92Å; M169-K171 VanDerWaalsContact C-N 3.34Å; M169-K171 PolarHBondContact O-N 3.39Å
170P53.7Low52.3Low124 Ų124133.1 Ų133.181%0.80577%0.773SS**  trans-75.781.3179.731.2-35.3000111.2G172P170-G172 PolarHBondContact O-N 3.2Å
171K50.8Low52.9Low198 Ų198136.8 Ų136.886%0.86178%0.78SS**  trans-77.683.8178.3-161.580.4175.7-169.90110.5M169 G173M169-K171 VanDerWaalsContact C-N 3.34Å; M169-K171 PolarHBondContact O-N 3.39Å; K171-G173 PolarHBondContact O-N 2.82Å; K171-G173 VanDerWaalsContact O-N 3.09Å
172G53.8Low53.4Low81 Ų81136.8 Ų136.884%0.83578%0.782SS**  trans-52115.4173.600000111.6P170P170-G172 PolarHBondContact O-N 3.2Å
173G46.9Very low53.8Low63 Ų63132.9 Ų132.965%0.64977%0.768SS**  trans-157.178.9-173.900000110.4K171 M175K171-G173 PolarHBondContact O-N 2.82Å; K171-G173 VanDerWaalsContact O-N 3.09Å; G173-M175 PolarHBondContact O-N 2.81Å; G173-M175 VanDerWaalsContact O-N 3.14Å
174G51.9Low54.3Low72 Ų72134.4 Ų134.474%0.74278%0.776SS**  trans-52.7118.5-174.900000112.4K176G174-K176 PolarHBondContact O-N 2.85Å
175M55.7Low55Low178 Ų178134.7 Ų134.788%0.87777%0.771SS**  trans-65.497.6174.3-69.216965.600108.5G173 K177G173-M175 PolarHBondContact O-N 2.81Å; G173-M175 VanDerWaalsContact O-N 3.14Å; M175-K177 PolarHBondContact O-N 2.94Å
176K61.1Low55.9Low196 Ų196133.6 Ų133.685%0.85277%0.765SS**  trans-63.4102.217731177.9166.6-700108.9G174 A178G174-K176 PolarHBondContact O-N 2.85Å; K176-A178 PolarHBondContact O-N 2.96Å
177K56.2Low57.1Low191 Ų191134 Ų13483%0.8376%0.761SS**  trans1396.2176.7-65.3-173178.3-173.70114.3M175 E179M175-K177 PolarHBondContact O-N 2.94Å; K177-E179 PolarHBondContact O-N 3.25Å; K177-E179 VanDerWaalsContact O-N 3.1Å
178A51.9Low58.1Low90 Ų90131.4 Ų131.474%0.74474%0.74SS**  trans-63.1109.4152.500000107.1K176 S180K176-A178 PolarHBondContact O-N 2.96Å; A178-S180 PolarHBondContact O-N 2.92Å
179E58.2Low59.7Low182 Ų182127 Ų12785%0.8571%0.713SS**  trans-72.181.1174.354.3-162.612900109.3K177 V181K177-E179 PolarHBondContact O-N 3.25Å; K177-E179 VanDerWaalsContact O-N 3.1Å; E179-V181 PolarHBondContact O-N 2.98Å; E179-V181 VanDerWaalsContact O-N 3.16Å
180S54.6Low61.2Low64 Ų64124.7 Ų124.745%0.44871%0.711SS.*  trans-65.2114.8-179177.80000109.7A178 M182 S183A178-S180 PolarHBondContact O-N 2.92Å; S180-M182 PolarHBondContact O-N 3.3Å; S180-M182 PolarHBondContact OG-N 2.72Å; S180-S183 PolarHBondContact O-N 3.22Å; S180-S183 PolarHBondContact O-OG 3.5Å; S180-S183 PolarHBondContact OG-N 3.38Å
181V60.1Low62.3Low147 Ų147123.2 Ų123.289%0.89170%0.703SS**THydrogen-bonded Turntrans-64.85.8171.3-69.10000113.7E179E179-V181 PolarHBondContact O-N 2.98Å; E179-V181 VanDerWaalsContact O-N 3.16Å
182M57.3Low63.9Low152 Ų152118.8 Ų118.875%0.74969%0.687SS**THydrogen-bonded Turntrans-119.2-3.1170.2-64.5176.464.600113.5S180 F184S180-M182 PolarHBondContact O-N 3.3Å; S180-M182 PolarHBondContact OG-N 2.72Å; M182-F184 VanDerWaalsContact C-N 3.32Å; M182-F184 WeakPolarHBondContact O-CD2 3.27Å; M182-F184 PolarHBondContact O-N 3.29Å
183S58.8Low65.5Low81 Ų81119 Ų11957%0.56667%0.669SS**  trans-81.679.417663.40000111S180 H185S180-S183 PolarHBondContact O-N 3.22Å; S180-S183 PolarHBondContact O-OG 3.5Å; S180-S183 PolarHBondContact OG-N 3.38Å; S183-H185 PolarHBondContact O-N 3.46Å
184F59.8Low67.4Low170 Ų170117.6 Ų117.675%0.74665%0.654SS**  trans-65.498.4165.3-57.5-78.6000108.9M182 I186M182-F184 VanDerWaalsContact C-N 3.32Å; M182-F184 WeakPolarHBondContact O-CD2 3.27Å; M182-F184 PolarHBondContact O-N 3.29Å; F184-I186 HydrophobicContact CB-CD1 4.46Å; F184-I186 HydrophobicContact CB-CG1 3.98Å; F184-I186 PolarHBondContact O-N 3.29Å
185H67.4Low69.2Low165 Ų165119.3 Ų119.376%0.76465%0.646SS**  trans-74.279.5168.6-174.8-71.4000108.5S183 D187S183-H185 PolarHBondContact O-N 3.46Å; H185-D187 PolarHBondContact O-N 3.07Å
186I71.6Confident70.9Confident127 Ų127114.3 Ų114.365%0.65162%0.622SS**  trans-72.784.7176.8-51.9177.8000107.7F184 L188F184-I186 HydrophobicContact CB-CD1 4.46Å; F184-I186 HydrophobicContact CB-CG1 3.98Å; F184-I186 PolarHBondContact O-N 3.29Å; I186-L188 HydrophobicContact CG2-CD2 3.77Å; I186-L188 HydrophobicContact CG2-CG 4.09Å; I186-L188 PolarHBondContact O-N 3.13Å; I186-L188 VanDerWaalsContact O-N 3.12Å
187D75Confident72Confident123 Ų123109.6 Ų109.666%0.65861%0.606SS**  trans-72.6100167.4-169.6-5.9000108.2H185 G189H185-D187 PolarHBondContact O-N 3.07Å; D187-G189 PolarHBondContact O-N 3.07Å; D187-G189 WeakPolarHBondContact OD1-CA 3.3Å; D187-G189 PolarHBondContact OD1-N 3.21Å
188L77.2Confident73.5Confident69 Ų69103.7 Ų103.736%0.36159%0.589SS.*  trans-71.2-14.7176-64.6167.3000111.7I186 M192 I196I186-L188 HydrophobicContact CG2-CD2 3.77Å; I186-L188 HydrophobicContact CG2-CG 4.09Å; I186-L188 PolarHBondContact O-N 3.13Å; I186-L188 VanDerWaalsContact O-N 3.12Å; L188-M192 HydrophobicContact CB-CB 4.3Å; L188-M192 HydrophobicContact CD2-CB 4.46Å; L188-M192 HydrophobicContact CD2-CE 3.83Å; L188-M192 HydrophobicContact CD2-SD 4.38Å; L188-M192 WeakPolarHBondContact O-CB 3.44Å; L188-M192 PolarHBondContact O-N 3.05Å; L188-I196 HydrophobicContact CD1-CD1 4.18Å
189G82.3Confident75.2Confident26 Ų26104.5 Ų104.527%0.26858%0.584SS.*Hα-helixtrans59-176.3-176.200000113.9D187 S191 L193D187-G189 PolarHBondContact O-N 3.07Å; D187-G189 WeakPolarHBondContact OD1-CA 3.3Å; D187-G189 PolarHBondContact OD1-N 3.21Å; G189-S191 VanDerWaalsContact C-N 3.33Å; G189-S191 PolarHBondContact O-N 2.82Å; G189-L193 WeakPolarHBondContact O-CB 3.43Å; G189-L193 PolarHBondContact O-N 3Å
190P80.3Confident76.4Confident119 Ų119101.6 Ų101.677%0.77357%0.572SS**Hα-helixtrans-65-34.8178-2334.9000113.2G194P190-G194 PolarHBondContact O-N 3.4Å
191S77.9Confident77.6Confident94 Ų94103.5 Ų103.566%0.65757%0.574SS**Hα-helixtrans-72.6-58-170.6-48.50000113.2G189 L193 G194 D195G189-S191 VanDerWaalsContact C-N 3.33Å; G189-S191 PolarHBondContact O-N 2.82Å; S191-L193 VanDerWaalsContact C-N 3.26Å; S191-L193 PolarHBondContact O-N 3.31Å; S191-G194 WeakPolarHBondContact O-CA 3.39Å; S191-G194 PolarHBondContact O-N 3.22Å; S191-D195 PolarHBondContact O-N 2.92Å
192M83.4Confident78.4Confident104 Ų104101.8 Ų101.851%0.51255%0.554SS.*Hα-helixtrans-67.6-28.8178.5-79.4-179.86700111.9L188 G194 D195 I196L188-M192 HydrophobicContact CB-CB 4.3Å; L188-M192 HydrophobicContact CD2-CB 4.46Å; L188-M192 HydrophobicContact CD2-CE 3.83Å; L188-M192 HydrophobicContact CD2-SD 4.38Å; L188-M192 WeakPolarHBondContact O-CB 3.44Å; L188-M192 PolarHBondContact O-N 3.05Å; M192-G194 VanDerWaalsContact C-N 3.33Å; M192-D195 PolarHBondContact O-N 2.96Å; M192-I196 WeakPolarHBondContact O-CB 3.33Å; M192-I196 WeakPolarHBondContact O-CD1 3.36Å; M192-I196 WeakPolarHBondContact O-CG1 3.26Å; M192-I196 PolarHBondContact O-N 3.35Å
193L87.8Confident78.6Confident87 Ų87100 Ų10046%0.45554%0.542SS..Hα-helixtrans-64.1-40.5171.2-175.662.6000111.1G189 S191 I196 L197G189-L193 WeakPolarHBondContact O-CB 3.43Å; G189-L193 PolarHBondContact O-N 3Å; S191-L193 VanDerWaalsContact C-N 3.26Å; S191-L193 PolarHBondContact O-N 3.31Å; L193-I196 PolarHBondContact O-N 3.4Å; L193-L197 HydrophobicContact CD1-CD1 4.38Å; L193-L197 HydrophobicContact CD1-CG 4.47Å; L193-L197 HydrophobicContact CG-CD1 3.99Å; L193-L197 WeakPolarHBondContact O-CB 3.21Å; L193-L197 VanDerWaalsContact O-CG 3.25Å; L193-L197 WeakPolarHBondContact O-CG 3.15Å; L193-L197 PolarHBondContact O-N 2.86Å
194G87.9Confident78.7Confident33 Ų33101.2 Ų101.234%0.3454%0.542SS..Hα-helixtrans-61.4-45.1172.200000113.1P190 S191 M192 I196 L197 S198P190-G194 PolarHBondContact O-N 3.4Å; S191-G194 WeakPolarHBondContact O-CA 3.39Å; S191-G194 PolarHBondContact O-N 3.22Å; M192-G194 VanDerWaalsContact C-N 3.33Å; G194-I196 PolarHBondContact O-N 2.63Å; G194-L197 PolarHBondContact O-N 3.43Å; G194-S198 VanDerWaalsContact O-CB 3.27Å; G194-S198 WeakPolarHBondContact O-CB 3.18Å; G194-S198 PolarHBondContact O-N 3.31Å
195D89.7Confident78.6Confident107 Ų107101.3 Ų101.357%0.57254%0.538SS*.Hα-helixtrans-60.7-44.5176.1-63.2-35.3000111.6S191 M192 S198 V199S191-D195 PolarHBondContact O-N 2.92Å; M192-D195 PolarHBondContact O-N 2.96Å; D195-S198 PolarHBondContact O-N 3.02Å; D195-V199 WeakPolarHBondContact O-CG2 3.42Å; D195-V199 PolarHBondContact O-N 3.42Å
196I89.8Confident78.1Confident74 Ų7499.6 Ų99.638%0.37953%0.53SS..Hα-helixtrans-65.7-46.2178.5-69163.4000111.1L188 M192 L193 G194 S198 V199 M200L188-I196 HydrophobicContact CD1-CD1 4.18Å; M192-I196 WeakPolarHBondContact O-CB 3.33Å; M192-I196 WeakPolarHBondContact O-CD1 3.36Å; M192-I196 WeakPolarHBondContact O-CG1 3.26Å; M192-I196 PolarHBondContact O-N 3.35Å; L193-I196 PolarHBondContact O-N 3.4Å; G194-I196 PolarHBondContact O-N 2.63Å; I196-S198 VanDerWaalsContact C-N 3.34Å; I196-S198 PolarHBondContact O-N 3.49Å; I196-V199 PolarHBondContact O-N 2.85Å; I196-M200 HydrophobicContact CG2-SD 4.27Å; I196-M200 WeakPolarHBondContact O-CG 3.25Å; I196-M200 PolarHBondContact O-N 2.9Å
197L85.4Confident77.3Confident97 Ų9799.1 Ų99.151%0.50853%0.525SS..Hα-helixtrans-60.4-43.8175.7-77.1167.3000111.2L193 G194 V199 M200 E201L193-L197 HydrophobicContact CD1-CD1 4.38Å; L193-L197 HydrophobicContact CD1-CG 4.47Å; L193-L197 HydrophobicContact CG-CD1 3.99Å; L193-L197 WeakPolarHBondContact O-CB 3.21Å; L193-L197 VanDerWaalsContact O-CG 3.25Å; L193-L197 WeakPolarHBondContact O-CG 3.15Å; L193-L197 PolarHBondContact O-N 2.86Å; G194-L197 PolarHBondContact O-N 3.43Å; L197-V199 VanDerWaalsContact C-N 3.33Å; L197-V199 PolarHBondContact O-N 3.42Å; L197-M200 PolarHBondContact O-N 3.46Å; L197-E201 VanDerWaalsContact O-CB 3.26Å; L197-E201 WeakPolarHBondContact O-CB 3.32Å; L197-E201 PolarHBondContact O-N 2.97Å
198S86.9Confident76.4Confident67 Ų6799.4 Ų99.447%0.46953%0.527SS..Hα-helixtrans-64.1-35.9178.5-172.60000112.5G194 D195 I196 K202G194-S198 VanDerWaalsContact O-CB 3.27Å; G194-S198 WeakPolarHBondContact O-CB 3.18Å; G194-S198 PolarHBondContact O-N 3.31Å; D195-S198 PolarHBondContact O-N 3.02Å; I196-S198 VanDerWaalsContact C-N 3.34Å; I196-S198 PolarHBondContact O-N 3.49Å; S198-K202 WeakPolarHBondContact O-CB 3.27Å; S198-K202 PolarHBondContact O-N 3.48Å
199V88.3Confident75.1Confident106 Ų106103 Ų10364%0.64255%0.546SS*.Hα-helixtrans-67.8-41.1173.41680000112D195 I196 L197 K203D195-V199 WeakPolarHBondContact O-CG2 3.42Å; D195-V199 PolarHBondContact O-N 3.42Å; I196-V199 PolarHBondContact O-N 2.85Å; L197-V199 VanDerWaalsContact C-N 3.33Å; L197-V199 PolarHBondContact O-N 3.42Å; V199-K203 PolarHBondContact O-N 3Å
200M82.9Confident73.6Confident121 Ų121109.2 Ų109.260%0.59657%0.572SS**Hα-helixtrans-65.4-49.2175.9-69.6177.562.900111.3I196 L197 K203 N204I196-M200 HydrophobicContact CG2-SD 4.27Å; I196-M200 WeakPolarHBondContact O-CG 3.25Å; I196-M200 PolarHBondContact O-N 2.9Å; L197-M200 PolarHBondContact O-N 3.46Å; M200-K203 PolarHBondContact O-N 2.92Å; M200-N204 PolarHBondContact O-N 3.16Å
201E79Confident72Confident105 Ų105106.4 Ų106.449%0.49157%0.565SS.*Hα-helixtrans-58.6-48176.9176.6173.3-164.400111.7L197 K203 N204 W205L197-E201 VanDerWaalsContact O-CB 3.26Å; L197-E201 WeakPolarHBondContact O-CB 3.32Å; L197-E201 PolarHBondContact O-N 2.97Å; E201-K203 VanDerWaalsContact C-N 3.28Å; E201-K203 PolarHBondContact O-N 2.92Å; E201-N204 WeakPolarHBondContact O-CB 3.44Å; E201-N204 PolarHBondContact O-N 2.97Å; E201-W205 VanDerWaalsContact CG-CD1 3.48Å; E201-W205 PolarHBondContact O-N 2.86Å; E201-W205 PolarHBondContact OE1-NE1 3.1Å; E201-W205 VanDerWaalsContact OE1-NE1 3.13Å
202K77.4Confident70.3Confident111 Ų111111.2 Ų111.248%0.48358%0.575SS.*Hα-helixtrans-56.8-42178-175.9178.5-174.2-92.20112.1S198 N204 W205 E206S198-K202 WeakPolarHBondContact O-CB 3.27Å; S198-K202 PolarHBondContact O-N 3.48Å; K202-N204 VanDerWaalsContact C-N 3.31Å; K202-N204 PolarHBondContact O-N 3.12Å; K202-W205 PolarHBondContact O-N 2.91Å; K202-E206 WeakPolarHBondContact CE-OE1 3.45Å; K202-E206 HydrophobicContact CG-CG 4.42Å; K202-E206 IonicContact NZ-OE1 3.96Å; K202-E206 PolarHBondContact NZ-OE1 2.94Å; K202-E206 IonicContact NZ-OE2 3.29Å; K202-E206 PolarHBondContact NZ-OE2 2.92Å; K202-E206 PolarHBondContact O-N 3.44Å
203K62.3Low68.5Low115 Ų115115.4 Ų115.450%0.559%0.593SS.*Hα-helixtrans-65.5-35.2178.5-171.4178.9-177.9-66.80111.9V199 M200 E201 E207V199-K203 PolarHBondContact O-N 3Å; M200-K203 PolarHBondContact O-N 2.92Å; E201-K203 VanDerWaalsContact C-N 3.28Å; E201-K203 PolarHBondContact O-N 2.92Å; K203-E207 WeakPolarHBondContact CE-OE1 3.2Å; K203-E207 IonicContact NZ-OE1 2.83Å; K203-E207 PolarHBondContact NZ-OE1 2.94Å; K203-E207 IonicContact NZ-OE2 3.98Å; K203-E207 PolarHBondContact NZ-OE2 3.35Å; K203-E207 PolarHBondContact O-N 3.42Å
204N60.4Low66.4Low105 Ų105119 Ų11956%0.56161%0.608SS**Hα-helixtrans-65.5-41.9173.8-95.799.6000112.2M200 E201 K202M200-N204 PolarHBondContact O-N 3.16Å; E201-N204 WeakPolarHBondContact O-CB 3.44Å; E201-N204 PolarHBondContact O-N 2.97Å; K202-N204 VanDerWaalsContact C-N 3.31Å; K202-N204 PolarHBondContact O-N 3.12Å
205W56.7Low64.1Low173 Ų173121.2 Ų121.266%0.65563%0.63SS**Hα-helixtrans-73.2-28.1178.2-62.7117.3000114.1E201 K202 E207E201-W205 VanDerWaalsContact CG-CD1 3.48Å; E201-W205 PolarHBondContact O-N 2.86Å; E201-W205 PolarHBondContact OE1-NE1 3.1Å; E201-W205 VanDerWaalsContact OE1-NE1 3.13Å; K202-W205 PolarHBondContact O-N 2.91Å; W205-E207 VanDerWaalsContact C-N 3.33Å
206E57Low62Low128 Ų128125.4 Ų125.460%0.59864%0.643SS**Hα-helixtrans-80.5-6.8177.6-75.3-178153.600114.3K202K202-E206 WeakPolarHBondContact CE-OE1 3.45Å; K202-E206 HydrophobicContact CG-CG 4.42Å; K202-E206 IonicContact NZ-OE1 3.96Å; K202-E206 PolarHBondContact NZ-OE1 2.94Å; K202-E206 IonicContact NZ-OE2 3.29Å; K202-E206 PolarHBondContact NZ-OE2 2.92Å; K202-E206 PolarHBondContact O-N 3.44Å
207E55.9Low59.5Low117 Ų117124.8 Ų124.855%0.54766%0.655SS.*Hα-helixtrans-106.3-21.2177.1-72.5178.3163.400113.8K203 W205K203-E207 WeakPolarHBondContact CE-OE1 3.2Å; K203-E207 IonicContact NZ-OE1 2.83Å; K203-E207 PolarHBondContact NZ-OE1 2.94Å; K203-E207 IonicContact NZ-OE2 3.98Å; K203-E207 PolarHBondContact NZ-OE2 3.35Å; K203-E207 PolarHBondContact O-N 3.42Å; W205-E207 VanDerWaalsContact C-N 3.33Å
208D55.5Low57.5Low130 Ų130125.3 Ų125.370%0.69567%0.667SS**Hα-helixtrans-88.8-13.3-179.7-79.8-26.6000114.9L210D208-L210 VanDerWaalsContact C-N 3.31Å; D208-L210 PolarHBondContact O-N 3.48Å
209D49.9Very low55.2Low144 Ų144129.7 Ų129.777%0.7768%0.68SS**  trans-91.221.5177.5-161.131.7000113.8G211D209-G211 PolarHBondContact O-N 3.5Å
210L50.6Low53.1Low156 Ų156132.3 Ų132.382%0.81769%0.685SS**  trans-81.165.6160.8-70.3-176.9000109.8D208 F212D208-L210 VanDerWaalsContact C-N 3.31Å; D208-L210 PolarHBondContact O-N 3.48Å; L210-F212 PolarHBondContact O-N 3.06Å
211G46.8Very low51.1Low60 Ų60134.7 Ų134.762%0.61969%0.694SS**  trans-52.1120.3-179.500000112.8D209 E213D209-G211 PolarHBondContact O-N 3.5Å; G211-E213 PolarHBondContact O-N 3.4Å
212F42.6Very low49Very low195 Ų195134.5 Ų134.586%0.85571%0.71SS**  trans-70.2105.8176.343.3-85.9000110.2L210 E214L210-F212 PolarHBondContact O-N 3.06Å; F212-E214 PolarHBondContact O-N 2.88Å
213E45.6Very low47.4Very low193 Ų193134.7 Ų134.790%0.90273%0.726SS**  trans-72.193.4173.6-169-179.2-140.300110.8G211 G215G211-E213 PolarHBondContact O-N 3.4Å; E213-G215 PolarHBondContact O-N 3.45Å
214E43.3Very low46.8Very low163 Ų163135.2 Ų135.276%0.76274%0.741SS**  trans28.956.8156.3-149.3-178.3140.400117.3F212 K216F212-E214 PolarHBondContact O-N 2.88Å; E214-K216 PolarHBondContact O-N 2.97Å
215G39.6Very low46Very low79 Ų79135.2 Ų135.281%0.81475%0.75SS**  trans-69.959.717100000113.6E213 G217E213-G215 PolarHBondContact O-N 3.45Å; G215-G217 PolarHBondContact O-N 2.93Å
216K46.5Very low44.9Very low195 Ų195135.4 Ų135.485%0.84876%0.757SS**  trans-34.7101.1173.352.8-163.9166.4-162.10114.1E214E214-K216 PolarHBondContact O-N 2.97Å
217G37Very low44.5Very low60 Ų60135.8 Ų135.862%0.61976%0.762SS**  trans-173.977-175.400000116.2G215G215-G217 PolarHBondContact O-N 2.93Å
218S44.3Very low43.9Very low109 Ų109136.2 Ų136.276%0.76278%0.775SS**  trans63.8145.716048.30000120.8
219E38.8Very low43.1Very low159 Ų159137.4 Ų137.474%0.74378%0.776SS**  trans21110.8157.8-79.782.4142.800118.5
220E42.9Very low42.6Very low160 Ų160136.5 Ų136.575%0.74877%0.77SS**  73.3109.680.4-74.1-158149.900115.4
221H41.9Very low42Very low172 Ų172136.4 Ų136.480%0.79677%0.77SS**  trans43108.6140.8-51-59.2000120.6
222A34.3Very low42Very low100 Ų100140.3 Ų140.383%0.82678%0.777SS**  163.8141.495.200000113.9
223S42.9Very low41.9Very low116 Ų116138.3 Ų138.381%0.81178%0.775SS**  trans-72.8148156-420000108.9
224P49.5Very low41.8Very low125 Ų125136.8 Ų136.881%0.81277%0.773SS**  -150.9-16567.342.7-22.5000115.6
225S43.9Very low42.1Very low106 Ų106134 Ų13474%0.74178%0.778SS**  trans-57.5142.5174.553.70000116.5
226H35.2Very low42.6Very low176 Ų176138.3 Ų138.382%0.81578%0.777SS**  -161.2160.3123.8-145.6-88.6000112.2
227I48.7Very low42.7Very low137 Ų137138.1 Ų138.170%0.70378%0.779SS**  trans-84.4125.5163.9-62.5167.9000108.3
228P42Very low42.7Very low126 Ų126146 Ų14682%0.81879%0.79SS**  trans-77.6133.3165.4-10.828.3000110.3
229H38Very low42.5Very low155 Ų155145 Ų14572%0.71879%0.788SS**  trans-126.4111.5-178.4173.4-71.7000108.7
230I41.1Very low42.6Very low124 Ų124143.8 Ų143.864%0.63679%0.794SS**  trans58124.6160.2-58.8-175.9000117.4
231D36.8Very low42.5Very low154 Ų154141.3 Ų141.382%0.82480%0.795SS**  -175.1163.5116.2-97.2-41.8000110.4
232D46.3Very low42.7Very low143 Ų143144.3 Ų144.377%0.76580%0.799SS**  trans-81152-173.1-62.8-73.4000114.4
233D41.4Very low43.1Very low153 Ų153145 Ų14582%0.81880%0.795SS**  172.9143.6119.8-92.4-23.3000114
234D44.3Very low43.2Very low161 Ų161145.4 Ų145.486%0.86180%0.795SS**  trans34.598.6159.4-75.2-18.6000122.3
235A48.8Very low42.7Very low103 Ų103151.1 Ų151.185%0.85180%0.8SS**  -163.1124.1128.900000112.2
236E50.5Low42.5Very low171 Ų171150.3 Ų150.380%0.79979%0.794SS**  trans-81.9126.5170.3-88.2-156.3-135.600112.4W238E236-W238 PolarHBondContact OE2-NE1 2.85Å
237E49Very low42.5Very low191 Ų191149.5 Ų149.589%0.89380%0.796SS**  trans-140.2132.2153.1-167168.2-169.100110.4
238W35.7Very low42Very low225 Ų225152.3 Ų152.385%0.85280%0.804SS**  trans-81.9133.3-165.8-67.1-15.7000114.7E236E236-W238 PolarHBondContact OE2-NE1 2.85Å
239A41Very low41.6Very low87 Ų87155 Ų15572%0.71981%0.805SS**  trans-91.2135.217000000112.9S241A239-S241 PolarHBondContact O-N 2.87Å
240P39.7Very low41.6Very low135 Ų135154.9 Ų154.988%0.87781%0.809SS**  trans-8780.8165.833.6-31.6000110.6
241S42.4Very low41.3Very low108 Ų108156.9 Ų156.976%0.75582%0.816SS**PPolyproline II helixtrans-78151.7178.563.70000112.9A239A239-S241 PolarHBondContact O-N 2.87Å
242R44.3Very low41.4Very low234 Ų234158.3 Ų158.388%0.88382%0.817SS**PPolyproline II helixtrans-81.5133.9-171.9-170.9-177.5-171.1179.34.5111.1
243P43.6Very low40.8Very low115 Ų115160 Ų16075%0.74782%0.818SS**PPolyproline II helixtrans-68.7131.4-172.625.8-34.8000113.1
244P44.1Very low40.3Very low125 Ų125158 Ų15881%0.81281%0.811SS**PPolyproline II helixtrans-74161.1168.631.6-34.1000111.6
245R40.8Very low39.9Very low245 Ų245156.7 Ų156.793%0.92581%0.809SS**PPolyproline II helixtrans-75139178.8-80179.6158.5127.3-6.6111.5
246S37.8Very low39.1Very low88 Ų88156.8 Ų156.862%0.61581%0.81SS**PPolyproline II helixtrans-75.1120.6176.7560000112.4F248S246-F248 WeakPolarHBondContact OG-CE2 3.45Å
247N35.8Very low38.3Very low159 Ų159155.9 Ų155.985%0.8581%0.811SS**  trans-84.7115.7158.4-74.8-16.5000109Q249N247-Q249 PolarHBondContact O-N 3.19Å
248F38.3Very low38.4Very low197 Ų197151.4 Ų151.486%0.86480%0.798SS**  trans-82.794.7174.4-80.7-85.2000110.5S246S246-F248 WeakPolarHBondContact OG-CE2 3.45Å
249Q33.5Very low38.1Very low182 Ų182151.2 Ų151.285%0.8580%0.799SS**  trans-97.298.1168.4-172.8151.8-7.100109.6N247 E251N247-Q249 PolarHBondContact O-N 3.19Å; Q249-E251 PolarHBondContact O-N 2.97Å
250L38.9Very low38.1Very low152 Ų152153.4 Ų153.480%0.79680%0.799SS**  trans-8799.3174.8-176.469.6000109.5Q252L250-Q252 PolarHBondContact O-N 3.01Å
251E34.3Very low38.2Very low167 Ų167151.2 Ų151.278%0.7878%0.784SS**  trans-71122.4159.4-83.2-15898.300109.6Q249Q249-E251 PolarHBondContact O-N 2.97Å
252Q38.1Very low37.7Very low183 Ų183153.4 Ų153.486%0.85578%0.782SS**  trans-134114.5156.3-159.7169.320.500108.7L250L250-Q252 PolarHBondContact O-N 3.01Å
253K33.8Very low37.3Very low180 Ų180148.8 Ų148.878%0.78377%0.774SS**  trans-99.7162.7-171.2-172.9-175.6176.21780110.6
254V31.5Very low36.7Very low109 Ų109148.9 Ų148.966%0.66178%0.777SS**  trans114.1104.4152.2-174.50000116.3
255T35Very low36.2Very low134 Ų134151.3 Ų151.382%0.82278%0.778SS**  trans77.6144.6148.355.20000124.4
256A33.3Very low35.8Very low106 Ų106145.5 Ų145.588%0.87678%0.775SS**  trans95.5147.9153.500000118.1
257D33Very low35.7Very low151 Ų151147.3 Ų147.381%0.80777%0.774SS**  trans-138-179.2-158.2-168.148.1000108.2
258P52.2Low35.9Very low97 Ų97148.8 Ų148.863%0.6377%0.767SS**  -104.9156.6-75.833.8-22.2000112.4
259Y28.3Very low35.8Very low221 Ų221146.1 Ų146.187%0.86776%0.762SS**  trans-158.1138.9155.8-141.2-113000113.5P261Y259-P261 HydrophobicContact CE1-CG 4.23Å
260D40.5Very low36Very low134 Ų134145.1 Ų145.172%0.71776%0.763SS**  trans-122.9136.7164.9175.827.9000105.8E262D260-E262 PolarHBondContact OD1-N 2.98Å
261P43.2Very low36.2Very low89 Ų89145.8 Ų145.858%0.57876%0.761SS**  -147.6137113.735.8-18.9000115.9Y259Y259-P261 HydrophobicContact CE1-CG 4.23Å
262E30.8Very low36.6Very low153 Ų153145 Ų14572%0.71576%0.757SS**  trans66.4122.6130.8-65-166.5150.400122D260D260-E262 PolarHBondContact OD1-N 2.98Å
263I36.3Very low36.8Very low138 Ų138142.7 Ų142.771%0.70876%0.756SS**  48.7110.5125.7-45.6163.8000118.1
264S30.6Very low37Very low116 Ų116139.8 Ų139.881%0.81175%0.749SS**  trans-145.2126.514168.20000111.3
265E33.7Very low37.3Very low176 Ų176138.9 Ų138.982%0.82275%0.747SS**  trans-76.2144.4179.1-57.7171.3130.200111
266S32.7Very low37.4Very low123 Ų123139 Ų13986%0.8675%0.752SS**  trans-131.2125.3163.558.90000109.8
267E35.3Very low37.8Very low127 Ų127138.9 Ų138.959%0.59375%0.745SS**  trans-97.9150.1-156.3-75.2-153.99800114.8
268R40.9Very low38.4Very low189 Ų189138.6 Ų138.671%0.71375%0.748SS**  trans48.8112.9146.4-58.4162.8-155.3172.69.8118.1
269N35.1Very low37.6Very low141 Ų141139.8 Ų139.875%0.75476%0.759SS**  trans-145.273.4144.2-95.9-46.4000111.5H271N269-H271 PolarHBondContact O-N 2.89Å
270N39.3Very low38.2Very low162 Ų162134.9 Ų134.987%0.86676%0.757SS**  trans-84.592.7174.4-78.4-15.7000110.7H272N270-H272 PolarHBondContact O-N 3.25Å
271H43.4Very low38.1Very low165 Ų165134.1 Ų134.176%0.76476%0.762SS**  trans-82.194.8169.2-80.6-65.9000111.7N269 T273N269-H271 PolarHBondContact O-N 2.89Å; H271-T273 PolarHBondContact O-N 3.45Å
272H41.8Very low37.7Very low151 Ų151133.1 Ų133.170%0.69977%0.768SS**  trans-78.1103.3171.6169.249.7000109.9N270 D274N270-H272 PolarHBondContact O-N 3.25Å; H272-D274 IonicContact CE1-OD1 3.33Å; H272-D274 PolarHBondContact CE1-OD1 2.76Å; H272-D274 IonicContact CE1-OD2 3.64Å; H272-D274 IonicContact ND1-OD1 3.84Å
273T41.9Very low38.2Very low134 Ų134132.1 Ų132.182%0.82278%0.778SS**  trans-112.8114.8170.254.90000109.5H271H271-T273 PolarHBondContact O-N 3.45Å
274D37.3Very low38.4Very low119 Ų119134.4 Ų134.464%0.63679%0.785SS**  trans-101.5158.3-160.9-137.419.4000113.7H272H272-D274 IonicContact CE1-OD1 3.33Å; H272-D274 PolarHBondContact CE1-OD1 2.76Å; H272-D274 IonicContact CE1-OD2 3.64Å; H272-D274 IonicContact ND1-OD1 3.84Å
275S38.8Very low39.3Very low90 Ų90137.5 Ų137.563%0.62978%0.784SS**  trans54.784.4153.1-62.20000119.9S277S275-S277 PolarHBondContact O-N 2.98Å
276C36.7Very low39.7Very low137 Ų137135.4 Ų135.493%0.92679%0.786SS**  trans-70.990.9154.5-59.40000110.7
277S42.1Very low39.6Very low104 Ų104135.8 Ų135.873%0.72777%0.774SS**  trans-72.2133.2178.1-68.20000112.7S275 S279S275-S277 PolarHBondContact O-N 2.98Å; S277-S279 PolarHBondContact O-N 2.97Å
278V44.6Very low39.6Very low144 Ų144138.9 Ų138.987%0.87378%0.782SS**  trans-86.4101.9173.4-760000111S280V278-S280 PolarHBondContact O-N 2.86Å
279S36.5Very low39.2Very low122 Ų122135.8 Ų135.885%0.85378%0.779SS**  trans-76.4115.7174.3-66.20000111S277S277-S279 PolarHBondContact O-N 2.97Å
280S41.2Very low39.2Very low118 Ų118135.5 Ų135.583%0.82578%0.777SS**  trans-112.4118168.7-176.30000109.5V278V278-S280 PolarHBondContact O-N 2.86Å
281S37.4Very low39.1Very low119 Ų119135 Ų13583%0.83277%0.769SS**  trans-142.4132.3164.5-59.50000106.6
282G36.2Very low38.6Very low67 Ų67134.2 Ų134.269%0.69177%0.77SS**  cis112.8100.218.900000107
283S41Very low38.3Very low132 Ų132130 Ų13092%0.92377%0.768SS**  trans-91.5130.3-17449.90000111.3
284E39.1Very low37.8Very low186 Ų186130.9 Ų130.987%0.86977%0.767SS**  trans-132.1132.2175.452.7-165.3138.800111.7
285K49.8Very low38.3Very low181 Ų181131 Ų13179%0.78777%0.773SS**  trans-98.8144.3173.9-65.7176.4175.5-179.60109.2
286P42.1Very low38.3Very low132 Ų132134.6 Ų134.686%0.85779%0.785SS**  trans-97.4144.9147.533.7-27.5000110.7
287Q31.6Very low38.5Very low131 Ų131133.6 Ų133.661%0.61278%0.78SS**  trans-146.2115.8178.9-153.4-174.7-59.100110.4
288Y35.8Very low38.3Very low193 Ų193135.4 Ų135.476%0.75779%0.786SS**  trans58.6160.3171.869.4-113.1000117.4
289N32.3Very low38.1Very low123 Ų123137.8 Ų137.866%0.65878%0.784SS**  cis-136.2149.92.3-99.5-38.2000107.4
290L33.9Very low38.4Very low135 Ų135142.8 Ų142.871%0.70779%0.786SS**  63.1135.757-166.774.8000112.1
291H37.7Very low38.4Very low153 Ų153143.2 Ų143.271%0.70879%0.789SS**  cis-81.1-167.30.4-98.3-112.5000112.9
292D33Very low38.7Very low147 Ų147142.5 Ų142.579%0.78678%0.784SS**  cis-151.7-172.24.7-132.8-11.5000109.7
293G35.2Very low39.5Very low62 Ų62145.1 Ų145.164%0.63979%0.789SS**  cis16764.90.300000114.8
294N32.7Very low39.3Very low153 Ų153145.8 Ų145.882%0.81878%0.777SS**  trans-146.6132.2167.3-165.66.2000111.9
295T46.1Very low39.6Very low123 Ų123146.1 Ų146.176%0.75577%0.771SS**  trans-102.6132-173.5530000111.9
296N38.5Very low39.3Very low165 Ų165142.4 Ų142.488%0.88276%0.759SS**  trans-151.5123.6153.5-96.6-46.5000110.6
297S41.3Very low39.5Very low116 Ų116141 Ų14181%0.81175%0.745SS**  trans-115.5117.9-178.5173.70000110
298V39.4Very low40.1Very low142 Ų142141.4 Ų141.486%0.86175%0.751SS**  trans-139.3138.7160.1-175.80000110.6
299K40.2Very low40.4Very low193 Ų193141.9 Ų141.984%0.83976%0.757SS**  trans-50.4155.8-174.1-58.8162.6179.3176.70117.3
300Y41.6Very low41.4Very low228 Ų228142.2 Ų142.289%0.89476%0.759SS**  trans-6.8136.6134.9-90.7-106000117.1
301S41.7Very low41.8Very low127 Ų127143.9 Ų143.989%0.88876%0.761SS**  trans-150.6143.2137.8-105.90000110.2
302S44.3Very low42.8Very low104 Ų104144.2 Ų144.273%0.72777%0.765SS**  trans-103.9142.2173.5-176.60000110H304S302-H304 PolarHBondContact O-N 2.83Å
303P52.3Low43.9Very low122 Ų122143.2 Ų143.279%0.79276%0.759SS**  trans-80.190.4162.619.3-5.4000109.5
304H36.4Very low44.9Very low146 Ų146148.5 Ų148.568%0.67677%0.767SS**  trans-59.1130.9156.3-148.9-45.3000107.2S302 D306S302-H304 PolarHBondContact O-N 2.83Å; H304-D306 IonicContact CE1-OD1 3.12Å; H304-D306 PolarHBondContact CE1-OD1 3.12Å; H304-D306 IonicContact CE1-OD2 3.12Å; H304-D306 IonicContact CG-OD2 2.64Å; H304-D306 IonicContact ND1-OD1 3.59Å; H304-D306 PolarHBondContact ND1-OD1 2.88Å; H304-D306 VanDerWaalsContact ND1-OD1 3.12Å; H304-D306 IonicContact ND1-OD2 3.82Å; H304-D306 PolarHBondContact ND1-OD2 3.12Å; H304-D306 VanDerWaalsContact ND1-OD2 3.12Å; H304-D306 IonicContact NE2-OD1 2.88Å
305R45Very low45.8Very low193 Ų193148.7 Ų148.773%0.72876%0.763SS**  trans-135.8101.8164.1-110.4-170.6163-83.9-9.9109.2D307R305-D307 IonicContact CZ-OD2 3.7Å; R305-D307 IonicContact NH1-OD1 2.65Å; R305-D307 PolarHBondContact NH1-OD1 3.29Å; R305-D307 IonicContact NH1-OD2 2.65Å; R305-D307 PolarHBondContact NH1-OD2 3.2Å
306D43.8Very low46.2Very low102 Ų102149.5 Ų149.555%0.54576%0.763SS.*  trans-73.5116.5164.5-45.9-80.7000106.8H304H304-D306 IonicContact CE1-OD1 3.12Å; H304-D306 PolarHBondContact CE1-OD1 3.12Å; H304-D306 IonicContact CE1-OD2 3.12Å; H304-D306 IonicContact CG-OD2 2.64Å; H304-D306 IonicContact ND1-OD1 3.59Å; H304-D306 PolarHBondContact ND1-OD1 2.88Å; H304-D306 VanDerWaalsContact ND1-OD1 3.12Å; H304-D306 IonicContact ND1-OD2 3.82Å; H304-D306 PolarHBondContact ND1-OD2 3.12Å; H304-D306 VanDerWaalsContact ND1-OD2 3.12Å; H304-D306 IonicContact NE2-OD1 2.88Å
307D47.3Very low47.2Very low104 Ų104149.6 Ų149.656%0.55676%0.763SS**  trans-135.990167.1-77.3-68.9000103.7R305 F309R305-D307 IonicContact CZ-OD2 3.7Å; R305-D307 IonicContact NH1-OD1 2.65Å; R305-D307 PolarHBondContact NH1-OD1 3.29Å; R305-D307 IonicContact NH1-OD2 2.65Å; R305-D307 PolarHBondContact NH1-OD2 3.2Å; D307-F309 WeakPolarHBondContact O-CD2 3.44Å; D307-F309 PolarHBondContact O-N 3.22Å
308D44.3Very low48.2Very low138 Ų138150 Ų15074%0.73875%0.752SS**  trans-66115.3-167.3-59.6-77.3000112.2D310D308-D310 PolarHBondContact O-N 3.02Å
309F42.5Very low48.9Very low204 Ų204151.1 Ų151.190%0.89575%0.752SS**  trans-87.481169-80.2-86.5000109.6D307 F311D307-F309 WeakPolarHBondContact O-CD2 3.44Å; D307-F309 PolarHBondContact O-N 3.22Å; F309-F311 PolarHBondContact O-N 3.27Å
310D52.3Low49.7Very low129 Ų129152 Ų15269%0.6975%0.75SS**  trans-52.4124.7175.5-87.1-39.8000111.5D308 M312D308-D310 PolarHBondContact O-N 3.02Å; D310-M312 HydrophobicContact CB-CE 4.45Å; D310-M312 PolarHBondContact O-N 3.28Å
311F43.4Very low50.5Low171 Ų171151.2 Ų151.275%0.7577%0.769SS**  trans-74.490.3173.2179.8-97.9000108.7F309 D313F309-F311 PolarHBondContact O-N 3.27Å; F311-D313 VanDerWaalsContact CE1-OD1 3.29Å; F311-D313 WeakPolarHBondContact CE1-OD1 3.45Å; F311-D313 WeakPolarHBondContact CE1-OD2 3.29Å; F311-D313 PolarHBondContact O-N 3.49Å; F311-D313 VanDerWaalsContact O-N 3.12Å
312M58.5Low51Low160 Ų160152.5 Ų152.579%0.78876%0.763SS**  trans-7597.1173.6-75.2-71.3166.800110.1D310 Q314D310-M312 HydrophobicContact CB-CE 4.45Å; D310-M312 PolarHBondContact O-N 3.28Å; M312-Q314 PolarHBondContact O-N 2.64Å
313D55.8Low51.3Low126 Ų126155 Ų15567%0.67477%0.765SS**  trans-58.5118.9160.3-88.1-50.1000109.8F311F311-D313 VanDerWaalsContact CE1-OD1 3.29Å; F311-D313 WeakPolarHBondContact CE1-OD1 3.45Å; F311-D313 WeakPolarHBondContact CE1-OD2 3.29Å; F311-D313 PolarHBondContact O-N 3.49Å; F311-D313 VanDerWaalsContact O-N 3.12Å
314Q55.7Low51.3Low173 Ų173156.8 Ų156.881%0.80876%0.763SS**  trans-153.176.9165.6-162.4104.996.500104.3M312M312-Q314 PolarHBondContact O-N 2.64Å
315E51.4Low52.1Low156 Ų156157.5 Ų157.573%0.72977%0.768SS**  55.7109.378.7-164.3169.3-118.200111
316D55.5Low52.6Low141 Ų141155.3 Ų155.375%0.75477%0.771SS**  trans48.7125.7165.3-61.5-12000120.9
317D57.9Low53.2Low166 Ų166158.8 Ų158.889%0.88879%0.786SS**  -157.8112.6115.2-115.8-21000113.8
318E62.2Low53.6Low124 Ų124162.7 Ų162.758%0.57980%0.802SS**  trans35.299151.6-149175.6-132.700121.7R320E318-R320 HydrophobicContact CG-CG 4.14Å; E318-R320 PolarHBondContact O-N 3.3Å; E318-R320 IonicContact OE2-CZ 3.07Å; E318-R320 IonicContact OE2-NE 2.7Å; E318-R320 PolarHBondContact OE2-NE 3.12Å; E318-R320 IonicContact OE2-NH2 2.72Å; E318-R320 PolarHBondContact OE2-NH2 2.7Å
319I54.4Low54.3Low166 Ų166164.6 Ų164.685%0.85181%0.807SS**  trans-65.7124.4150.635.4168.5000110.9
320R56.8Low55.3Low211 Ų211161.3 Ų161.380%0.79680%0.8SS**  trans-104.4136.3167.8-67-173.8-179.4166.36.1110.8E318E318-R320 HydrophobicContact CG-CG 4.14Å; E318-R320 PolarHBondContact O-N 3.3Å; E318-R320 IonicContact OE2-CZ 3.07Å; E318-R320 IonicContact OE2-NE 2.7Å; E318-R320 PolarHBondContact OE2-NE 3.12Å; E318-R320 IonicContact OE2-NH2 2.72Å; E318-R320 PolarHBondContact OE2-NH2 2.7Å
321V59.9Low55.6Low213 Ų213164.3 Ų164.3100%1.29181%0.81SS**  trans-89.60-174.6-176.70000111.2

Retrieved 321 of 321 residues in 56 ms (Link to these results)