A0A087XC30_POEFO Loading...

Si:ch73-290k24.6

AlphaFold DB , UniProt , Accession A0A087XC30, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 449 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
1M35.1Very low41.9Very low225 Ų225136.2 Ų136.2100%1.10878%0.779SS**  083.80-68175.2177.300110
2E39Very low43.1Very low143 Ų143139.6 Ų139.667%0.66879%0.791SS**  cis-153.4137.3-13.6-146.477115.500108.6H4E2-H4 PolarHBondContact O-N 3.49Å
3Y38.8Very low44.2Very low224 Ų224132.6 Ų132.688%0.87877%0.769SS**  trans-83.5112.5174.4-84.6-97.1000109.3
4H48Very low45.6Very low172 Ų172135.1 Ų135.180%0.79676%0.759SS**  trans-107.476.1165.1-77.7-61.8000111E2 G6E2-H4 PolarHBondContact O-N 3.49Å; H4-G6 PolarHBondContact O-N 3.47Å
5S49Very low47.3Very low116 Ų116130.5 Ų130.581%0.81174%0.738SS**  trans-56.4130.5149.2-64.60000108.3
6G35.8Very low48.9Very low57 Ų57131.7 Ų131.759%0.58873%0.727SS**  trans-163.957.8-169.300000112.4H4 S8H4-G6 PolarHBondContact O-N 3.47Å; G6-S8 PolarHBondContact O-N 2.82Å; G6-S8 VanDerWaalsContact O-N 3.11Å; G6-S8 PolarHBondContact O-OG 2.59Å
7G46.6Very low50.6Low90 Ų90133.1 Ų133.193%0.92872%0.72SS**  trans-53118.4168.800000109.1
8S38.9Very low52.3Low93 Ų93125.7 Ų125.765%0.6568%0.68SS**  trans-140.7131.2-178.438.80000109.8G6G6-S8 PolarHBondContact O-N 2.82Å; G6-S8 VanDerWaalsContact O-N 3.11Å; G6-S8 PolarHBondContact O-OG 2.59Å
9L41.2Very low53.6Low145 Ų145124.4 Ų124.476%0.75968%0.679SS**  trans-52.4158.4175.8-69.4154.2000111.3L11L9-L11 PolarHBondContact O-N 3.4Å
10P43.8Very low54.3Low126 Ų126119.1 Ų119.182%0.81865%0.653SS**  trans-68.775.2173.230.7-35.8000111L12P10-L12 PolarHBondContact O-N 3.27Å
11L45.1Very low54.9Low107 Ų107116.6 Ų116.656%0.5665%0.649SS**  trans-68.1101.1172.4-68177.3000108.9L9 G13L9-L11 PolarHBondContact O-N 3.4Å; L11-G13 PolarHBondContact O-N 3.4Å
12L56.2Low56Low177 Ų177110.8 Ų110.893%0.92762%0.623SS**THydrogen-bonded Turntrans-45.3129.3164.4-70.6161.7000109.7P10P10-L12 PolarHBondContact O-N 3.27Å
13G57.7Low57.1Low49 Ų49109.2 Ų109.251%0.50563%0.634SS.*THydrogen-bonded Turntrans76.840.5171.900000116.6L11 P15L11-G13 PolarHBondContact O-N 3.4Å; G13-P15 WeakPolarHBondContact O-CD 3.42Å
14R63.9Low57.9Low167 Ų167105.8 Ų105.863%0.6363%0.631SS**  trans-96.5109.7159.5-107.5-174.1175-179.2-0.8110.4R16R14-R16 PolarHBondContact O-N 3.34Å
15P71Confident59Low67 Ų6799.6 Ų99.644%0.43561%0.613SS.*  trans-58.3134.1-174-26.934.7000113.5G13 L28 C29G13-P15 WeakPolarHBondContact O-CD 3.42Å; P15-L28 HydrophobicContact CB-CD1 4.13Å; P15-L28 HydrophobicContact CB-CD2 3.83Å; P15-L28 HydrophobicContact CB-CG 3.89Å; P15-C29 CarbonylContact C-O 3.55Å; P15-C29 VanDerWaalsContact CA-O 3.24Å; P15-C29 WeakPolarHBondContact CA-O 3.15Å
16R72.4Confident60.3Low149 Ų14995.2 Ų95.256%0.56259%0.586SS**EExtended strand (participates in β ladder)trans-110.5129.6178.4-61.4-57.4-173.1157.22.8110.5R14 C29R14-R16 PolarHBondContact O-N 3.34Å; R16-C29 PolarHBondContact N-O 3.42Å; R16-C29 PolarHBondContact O-N 3.33Å
17Y78.5Confident62.3Low156 Ų15694.9 Ų94.961%0.61257%0.568SS**EExtended strand (participates in β ladder)trans-85.6123.6174.5-178.3-99.7000109.9G26 L28Y17-G26 WeakPolarHBondContact CE2-O 3.3Å; Y17-G26 WeakPolarHBondContact OH-CA 3.33Å; Y17-G26 PolarHBondContact OH-N 3.42Å; Y17-L28 HydrophobicContact CD2-CD1 4.43Å
18C80.4Confident63.9Low0 Ų096 Ų960%055%0.552CS.*EExtended strand (participates in β ladder)trans-113.9127.6-174.7-60.10000109.8G20 G26 Y27 C29 C34C18-G20 PolarHBondContact O-N 3.41Å; C18-G26 CarbonylContact O-C 3.38Å; C18-G26 WeakPolarHBondContact O-CA 3.3Å; C18-Y27 HydrophobicContact CB-CD1 4.23Å; C18-Y27 HydrophobicContact CB-CD2 3.74Å; C18-Y27 HydrophobicContact CB-CE1 3.92Å; C18-Y27 HydrophobicContact CB-CE2 3.38Å; C18-Y27 HydrophobicContact CB-CG 4.15Å; C18-Y27 VanDerWaalsContact CB-CZ 3.48Å; C18-Y27 PolarHBondContact N-O 2.99Å; C18-Y27 PolarHBondContact O-N 2.91Å; C18-C29 PolarHBondContact SG-SG 2.88Å; C18-C34 WeakPolarHBondContact CA-SG 3.34Å; C18-C34 HydrophobicContact CB-CB 3.63Å; C18-C34 WeakPolarHBondContact CB-SG 3.35Å; C18-C34 WeakPolarHBondContact SG-CA 3.47Å; C18-C34 WeakPolarHBondContact SG-CB 3.45Å; C18-C34 CovalentContact SG-SG 2.03Å; C18-C34 PolarHBondContact SG-SG 2.86Å
19P76.3Confident65.9Low101 Ų10191.6 Ų91.666%0.65652%0.521SS*.  trans-65.8123175.527.8-32.9000109.8
20G68.6Low67.6Low17 Ų1791.7 Ų91.718%0.17552%0.518CS..  trans-75.4154.4168.500000110.6C18 N22C18-G20 PolarHBondContact O-N 3.41Å; G20-N22 PolarHBondContact O-N 3.45Å
21A67.5Low68.8Low68 Ų6890.3 Ų90.356%0.56251%0.507SS*.SBendtrans-67.8-13.2177.700000113.8E37A21-E37 HydrophobicContact CB-CB 3.74Å; A21-E37 HydrophobicContact CB-CG 3.8Å
22N56.4Low70.2Confident103 Ų10386.3 Ų86.355%0.55149%0.492SS*.SBendtrans-97133.8174.455-16.9000111.5G20 N24G20-N22 PolarHBondContact O-N 3.45Å; N22-N24 PolarHBondContact O-N 3.09Å
23A63.2Low71.1Confident109 Ų10982.3 Ų82.390%0.90147%0.468SS*.THydrogen-bonded Turntrans-65.29.1-176.700000116
24N56.3Low72.1Confident153 Ų15383 Ų8382%0.81846%0.464SS*.THydrogen-bonded Turntrans-109.5-2.1-170-64.4-8.8000113.8N22N22-N24 PolarHBondContact O-N 3.09Å
25G70.4Confident72.6Confident41 Ų4177.7 Ų77.742%0.42345%0.452SS..  trans161139.817200000114
26G76.3Confident72.5Confident24 Ų2477.2 Ų77.225%0.24746%0.459CS..  trans-83.3157.3166.400000112.2Y17 C18Y17-G26 WeakPolarHBondContact CE2-O 3.3Å; Y17-G26 WeakPolarHBondContact OH-CA 3.33Å; Y17-G26 PolarHBondContact OH-N 3.42Å; C18-G26 CarbonylContact O-C 3.38Å; C18-G26 WeakPolarHBondContact O-CA 3.3Å
27Y76.9Confident72.2Confident51 Ų5176.8 Ų76.820%0.246%0.464CS..EExtended strand (participates in β ladder)trans-97.6153.8177.157.8-87.8000110.9C18 C29 G36 G39C18-Y27 HydrophobicContact CB-CD1 4.23Å; C18-Y27 HydrophobicContact CB-CD2 3.74Å; C18-Y27 HydrophobicContact CB-CE1 3.92Å; C18-Y27 HydrophobicContact CB-CE2 3.38Å; C18-Y27 HydrophobicContact CB-CG 4.15Å; C18-Y27 VanDerWaalsContact CB-CZ 3.48Å; C18-Y27 PolarHBondContact N-O 2.99Å; C18-Y27 PolarHBondContact O-N 2.91Å; Y27-C29 VanDerWaalsContact CE2-SG 3.59Å; Y27-G36 PolarHBondContact OH-O 3.43Å; Y27-G39 WeakPolarHBondContact CE2-O 3.36Å; Y27-G39 PolarHBondContact OH-O 3.34Å; Y27-G39 VanDerWaalsContact OH-O 3.08Å
28L81.4Confident71.5Confident113 Ų11375.9 Ų75.959%0.59248%0.475SS*.EExtended strand (participates in β ladder)trans-108.8119.5-178.8-165.278.3000110P15 Y17P15-L28 HydrophobicContact CB-CD1 4.13Å; P15-L28 HydrophobicContact CB-CD2 3.83Å; P15-L28 HydrophobicContact CB-CG 3.89Å; Y17-L28 HydrophobicContact CD2-CD1 4.43Å
29C80.6Confident71Confident1 Ų177.1 Ų77.11%0.00749%0.487CS..EExtended strand (participates in β ladder)trans-92.7105.7176.6-62.70000110.6P15 R16 C18 Y27 C40P15-C29 CarbonylContact C-O 3.55Å; P15-C29 VanDerWaalsContact CA-O 3.24Å; P15-C29 WeakPolarHBondContact CA-O 3.15Å; R16-C29 PolarHBondContact N-O 3.42Å; R16-C29 PolarHBondContact O-N 3.33Å; C18-C29 PolarHBondContact SG-SG 2.88Å; Y27-C29 VanDerWaalsContact CE2-SG 3.59Å; C29-C40 WeakPolarHBondContact CA-SG 3.39Å; C29-C40 HydrophobicContact CB-CB 3.71Å; C29-C40 WeakPolarHBondContact CB-SG 3.49Å; C29-C40 VanDerWaalsContact SG-CA 3.5Å; C29-C40 WeakPolarHBondContact SG-CB 3.32Å; C29-C40 CovalentContact SG-SG 2.03Å; C29-C40 PolarHBondContact SG-SG 2.96Å
30E77.6Confident71.2Confident147 Ų14775 Ų7569%0.68747%0.474SS*.SBendtrans-72.3-40.2176.9-168.9162-142.100111.7
31T68.6Low71.7Confident97 Ų9776.9 Ų76.960%0.59548%0.484SS*.SBendtrans-133.4100.3173.846.80000111.2T42T31-T42 WeakPolarHBondContact O-CG2 3.24Å
32G73.1Confident72.1Confident23 Ų2378.2 Ų78.224%0.23749%0.485CS..SBendtrans137.2-172.3175.900000113.9C41G32-C41 CarbonylContact C-O 3.34Å; G32-C41 VanDerWaalsContact CA-O 3.24Å; G32-C41 WeakPolarHBondContact CA-O 3.45Å
33H76Confident72.6Confident92 Ų9279.6 Ų79.643%0.42648%0.484SS..EExtended strand (participates in β ladder)trans-113.8156.6178.4-68.8-71.8000112.2C35 C40 C41 Y43H33-C35 PolarHBondContact O-N 3.06Å; H33-C40 WeakPolarHBondContact O-CA 3.22Å; H33-C41 PolarHBondContact N-O 2.83Å; H33-C41 PolarHBondContact O-N 3.27Å; H33-Y43 AromaticContact CD2-CE2 3.65Å; H33-Y43 AromaticContact CD2-CZ 3.58Å; H33-Y43 AromaticContact NE2-CE2 3.38Å; H33-Y43 WeakPolarHBondContact NE2-CE2 3.04Å; H33-Y43 AromaticContact NE2-CZ 3.21Å; H33-Y43 PolarHBondContact NE2-OH 3.21Å
34C78.1Confident72.7Confident64 Ų6483.1 Ų83.143%0.43248%0.475SS..EExtended strand (participates in β ladder)trans-61.9117.4175-49.40000110.3C18C18-C34 WeakPolarHBondContact CA-SG 3.34Å; C18-C34 HydrophobicContact CB-CB 3.63Å; C18-C34 WeakPolarHBondContact CB-SG 3.35Å; C18-C34 WeakPolarHBondContact SG-CA 3.47Å; C18-C34 WeakPolarHBondContact SG-CB 3.45Å; C18-C34 CovalentContact SG-SG 2.03Å; C18-C34 PolarHBondContact SG-SG 2.86Å
35C75.5Confident73.2Confident55 Ų5584.2 Ų84.237%0.37247%0.469SS..  trans-125.873-165.1-158.30000110.8H33 G39 C41H33-C35 PolarHBondContact O-N 3.06Å; C35-G39 VanDerWaalsContact CB-O 3.29Å; C35-G39 WeakPolarHBondContact CB-O 3.41Å; C35-G39 PolarHBondContact N-O 3.3Å; C35-C41 HydrophobicContact CB-CB 3.4Å; C35-C41 VanDerWaalsContact CB-CB 3.4Å; C35-C41 WeakPolarHBondContact CB-SG 3.08Å; C35-C41 WeakPolarHBondContact SG-CB 3.37Å; C35-C41 CovalentContact SG-SG 2.03Å; C35-C41 PolarHBondContact SG-SG 3.32Å
36G69.3Low73.2Confident57 Ų5787.3 Ų87.359%0.58847%0.473SS*.THydrogen-bonded Turntrans68.8-152.8-172.300000112.7Y27 T38Y27-G36 PolarHBondContact OH-O 3.43Å; G36-T38 PolarHBondContact O-N 2.75Å
37E64.7Low73.3Confident141 Ų14190.9 Ų90.966%0.65949%0.485SS*.THydrogen-bonded Turntrans-80.1-17.7-162.2-61-169151.500114.8A21A21-E37 HydrophobicContact CB-CB 3.74Å; A21-E37 HydrophobicContact CB-CG 3.8Å
38T64.3Low73.6Confident137 Ų13796 Ų9684%0.8451%0.505SS*.SBendtrans-139.414.4-161.451.10000115.9G36G36-T38 PolarHBondContact O-N 2.75Å
39G69.5Low73.9Confident26 Ų2697 Ų9727%0.26850%0.5SS..  trans-172.5162.4177.200000118.8Y27 C35Y27-G39 WeakPolarHBondContact CE2-O 3.36Å; Y27-G39 PolarHBondContact OH-O 3.34Å; Y27-G39 VanDerWaalsContact OH-O 3.08Å; C35-G39 VanDerWaalsContact CB-O 3.29Å; C35-G39 WeakPolarHBondContact CB-O 3.41Å; C35-G39 PolarHBondContact N-O 3.3Å
40C80.6Confident74.3Confident55 Ų55101 Ų10137%0.37252%0.518SS..EExtended strand (participates in β ladder)trans-90.7113.1168.8-56.70000109.1C29 H33C29-C40 WeakPolarHBondContact CA-SG 3.39Å; C29-C40 HydrophobicContact CB-CB 3.71Å; C29-C40 WeakPolarHBondContact CB-SG 3.49Å; C29-C40 VanDerWaalsContact SG-CA 3.5Å; C29-C40 WeakPolarHBondContact SG-CB 3.32Å; C29-C40 CovalentContact SG-SG 2.03Å; C29-C40 PolarHBondContact SG-SG 2.96Å; H33-C40 WeakPolarHBondContact O-CA 3.22Å
41C79.4Confident74.9Confident58 Ų58101.3 Ų101.339%0.39251%0.513SS..EExtended strand (participates in β ladder)trans-85.3119.5170.5-73.70000109.4G32 H33 C35G32-C41 CarbonylContact C-O 3.34Å; G32-C41 VanDerWaalsContact CA-O 3.24Å; G32-C41 WeakPolarHBondContact CA-O 3.45Å; H33-C41 PolarHBondContact N-O 2.83Å; H33-C41 PolarHBondContact O-N 3.27Å; C35-C41 HydrophobicContact CB-CB 3.4Å; C35-C41 VanDerWaalsContact CB-CB 3.4Å; C35-C41 WeakPolarHBondContact CB-SG 3.08Å; C35-C41 WeakPolarHBondContact SG-CB 3.37Å; C35-C41 CovalentContact SG-SG 2.03Å; C35-C41 PolarHBondContact SG-SG 3.32Å
42T75.1Confident76.1Confident96 Ų96100.7 Ų100.759%0.58951%0.505SS*.  trans-64.6156.5153.450.50000109.1T31 Y44T31-T42 WeakPolarHBondContact O-CG2 3.24Å; T42-Y44 PolarHBondContact O-N 2.93Å
43Y67.4Low77.1Confident131 Ų131104.3 Ų104.351%0.51452%0.519SS..  trans-68.798.4175.2-71.2-89.5000110H33 Y45 E46H33-Y43 AromaticContact CD2-CE2 3.65Å; H33-Y43 AromaticContact CD2-CZ 3.58Å; H33-Y43 AromaticContact NE2-CE2 3.38Å; H33-Y43 WeakPolarHBondContact NE2-CE2 3.04Å; H33-Y43 AromaticContact NE2-CZ 3.21Å; H33-Y43 PolarHBondContact NE2-OH 3.21Å; Y43-Y45 PolarHBondContact O-N 3.15Å; Y43-E46 HydrophobicContact CG-CG 4.3Å; Y43-E46 WeakPolarHBondContact O-CB 3.34Å; Y43-E46 PolarHBondContact O-N 2.75Å
44Y65.6Low78Confident184 Ų184106.7 Ų106.772%0.72252%0.524SS*.G310 helixtrans-55.4-30.6168.8-175.2-100.4000111.5T42 E46 L47T42-Y44 PolarHBondContact O-N 2.93Å; Y44-E46 PolarHBondContact O-N 3.23Å; Y44-E46 VanDerWaalsContact O-N 3.12Å; Y44-L47 PolarHBondContact O-N 3.17Å
45Y67.1Low78.9Confident175 Ų175107.4 Ų107.469%0.68653%0.526SS*.G310 helixtrans-72.717.2171.8-46.2-72.5000115Y43 W48Y43-Y45 PolarHBondContact O-N 3.15Å; Y45-W48 PolarHBondContact O-NE1 2.75Å
46E71.1Confident79.9Confident107 Ų107108.4 Ų108.450%0.553%0.531SS..G310 helixtrans-102.2-6.3165.5-68.1-67.7172.800112.6Y43 Y44 W49Y43-E46 HydrophobicContact CG-CG 4.3Å; Y43-E46 WeakPolarHBondContact O-CB 3.34Å; Y43-E46 PolarHBondContact O-N 2.75Å; Y44-E46 PolarHBondContact O-N 3.23Å; Y44-E46 VanDerWaalsContact O-N 3.12Å; E46-W49 PolarHBondContact O-NE1 3.14Å
47L76.7Confident81.2Confident98 Ų98111.2 Ų111.251%0.51353%0.532SS..SBendtrans-102.4-14174.5-76.271.8000112.3Y44 W49 F50 W51Y44-L47 PolarHBondContact O-N 3.17Å; L47-W49 VanDerWaalsContact C-N 3.31Å; L47-W49 PolarHBondContact O-N 3.38Å; L47-F50 WeakPolarHBondContact O-CB 3.22Å; L47-F50 PolarHBondContact O-N 3.23Å; L47-F50 VanDerWaalsContact O-N 3.16Å; L47-W51 PolarHBondContact O-N 3.22Å; L47-W51 VanDerWaalsContact O-N 3.17Å
48W84.4Confident82.7Confident160 Ų160109 Ų10961%0.60652%0.523SS*.Hα-helixtrans-58.9-37.3-177.880.1-59.8000113.4Y45 F50 W51 L52Y45-W48 PolarHBondContact O-NE1 2.75Å; W48-F50 VanDerWaalsContact C-N 3.35Å; W48-W51 PolarHBondContact O-N 3.4Å; W48-L52 HydrophobicContact CZ3-CD1 4.13Å; W48-L52 WeakPolarHBondContact O-CB 3.41Å; W48-L52 PolarHBondContact O-N 3.36Å
49W87.8Confident84.3Confident133 Ų133107.6 Ų107.650%0.50451%0.51SS..Hα-helixtrans-72.7-29.618067.2-99.8000111.8E46 L47 L52 L53E46-W49 PolarHBondContact O-NE1 3.14Å; L47-W49 VanDerWaalsContact C-N 3.31Å; L47-W49 PolarHBondContact O-N 3.38Å; W49-L52 WeakPolarHBondContact O-CB 3.27Å; W49-L52 PolarHBondContact O-N 2.78Å; W49-L53 VanDerWaalsContact O-CB 3.29Å; W49-L53 WeakPolarHBondContact O-CB 3.37Å; W49-L53 PolarHBondContact O-N 2.99Å
50F87.7Confident85.6Confident86 Ų86113.4 Ų113.438%0.37753%0.528SS..Hα-helixtrans-65.3-45170.8170.5-90000110.3L47 W48 L53 W54L47-F50 WeakPolarHBondContact O-CB 3.22Å; L47-F50 PolarHBondContact O-N 3.23Å; L47-F50 VanDerWaalsContact O-N 3.16Å; W48-F50 VanDerWaalsContact C-N 3.35Å; F50-L53 PolarHBondContact O-N 3.05Å; F50-W54 AromaticContact CE1-CD1 3.88Å; F50-W54 HydrophobicContact CE1-CG 4.36Å; F50-W54 AromaticContact CE2-CD1 3.64Å; F50-W54 AromaticContact CE2-NE1 3.41Å; F50-W54 AromaticContact CZ-CD1 3.54Å; F50-W54 AromaticContact CZ-CE2 3.92Å; F50-W54 HydrophobicContact CZ-CG 4.32Å; F50-W54 AromaticContact CZ-NE1 3.25Å; F50-W54 VanDerWaalsContact CZ-NE1 3.25Å; F50-W54 WeakPolarHBondContact O-CB 3.47Å; F50-W54 PolarHBondContact O-N 2.83Å
51W90.8Very high86.4Confident153 Ų153114.2 Ų114.258%0.5854%0.535SS*.Hα-helixtrans-63.9-38.7173.1-64.4114.3000112.5L47 W48 T55L47-W51 PolarHBondContact O-N 3.22Å; L47-W51 VanDerWaalsContact O-N 3.17Å; W48-W51 PolarHBondContact O-N 3.4Å; W51-T55 WeakPolarHBondContact O-CB 3.39Å; W51-T55 WeakPolarHBondContact O-CG2 3.49Å; W51-T55 PolarHBondContact O-N 3.22Å; W51-T55 PolarHBondContact O-OG1 2.51Å
52L93Very high87.2Confident83 Ų83115.2 Ų115.244%0.43554%0.542SS..Hα-helixtrans-59.9-54.4174.1-161.5178.2000110.2W48 W49 W54 T55 V56W48-L52 HydrophobicContact CZ3-CD1 4.13Å; W48-L52 WeakPolarHBondContact O-CB 3.41Å; W48-L52 PolarHBondContact O-N 3.36Å; W49-L52 WeakPolarHBondContact O-CB 3.27Å; W49-L52 PolarHBondContact O-N 2.78Å; L52-W54 VanDerWaalsContact C-N 3.34Å; L52-W54 PolarHBondContact O-N 3Å; L52-T55 PolarHBondContact O-N 3.36Å; L52-T55 PolarHBondContact O-OG1 3.36Å; L52-V56 HydrophobicContact CD2-CG2 3.71Å; L52-V56 WeakPolarHBondContact O-CG2 3.42Å; L52-V56 PolarHBondContact O-N 3.34Å
53L94.5Very high88.2Confident99 Ų99114 Ų11452%0.51854%0.536SS..Hα-helixtrans-59.2-42.6178.8-175.963000112.2W49 F50 V56 L57W49-L53 VanDerWaalsContact O-CB 3.29Å; W49-L53 WeakPolarHBondContact O-CB 3.37Å; W49-L53 PolarHBondContact O-N 2.99Å; F50-L53 PolarHBondContact O-N 3.05Å; L53-V56 PolarHBondContact O-N 3.33Å; L53-L57 VanDerWaalsContact O-CB 3.31Å; L53-L57 WeakPolarHBondContact O-CB 3.11Å; L53-L57 PolarHBondContact O-N 3.4Å
54W95.8Very high89.5Confident143 Ų143110.4 Ų110.454%0.54253%0.529SS..Hα-helixtrans-62.1-46.1174.1-98.767.9000112.6F50 L52 L57 I58F50-W54 AromaticContact CE1-CD1 3.88Å; F50-W54 HydrophobicContact CE1-CG 4.36Å; F50-W54 AromaticContact CE2-CD1 3.64Å; F50-W54 AromaticContact CE2-NE1 3.41Å; F50-W54 AromaticContact CZ-CD1 3.54Å; F50-W54 AromaticContact CZ-CE2 3.92Å; F50-W54 HydrophobicContact CZ-CG 4.32Å; F50-W54 AromaticContact CZ-NE1 3.25Å; F50-W54 VanDerWaalsContact CZ-NE1 3.25Å; F50-W54 WeakPolarHBondContact O-CB 3.47Å; F50-W54 PolarHBondContact O-N 2.83Å; L52-W54 VanDerWaalsContact C-N 3.34Å; L52-W54 PolarHBondContact O-N 3Å; W54-L57 PolarHBondContact O-N 2.91Å; W54-I58 HydrophobicContact CE3-CD1 3.84Å; W54-I58 HydrophobicContact CZ3-CD1 4.36Å; W54-I58 WeakPolarHBondContact O-CB 3.32Å; W54-I58 VanDerWaalsContact O-CG1 3.28Å; W54-I58 WeakPolarHBondContact O-CG1 3.36Å; W54-I58 PolarHBondContact O-N 2.8Å
55T96.3Very high91Very high78 Ų78104.4 Ų104.448%0.47952%0.518SS..Hα-helixtrans-65.5-39.2178.252.10000111.9W51 L52 L59W51-T55 WeakPolarHBondContact O-CB 3.39Å; W51-T55 WeakPolarHBondContact O-CG2 3.49Å; W51-T55 PolarHBondContact O-N 3.22Å; W51-T55 PolarHBondContact O-OG1 2.51Å; L52-T55 PolarHBondContact O-N 3.36Å; L52-T55 PolarHBondContact O-OG1 3.36Å; T55-L59 VanDerWaalsContact O-CB 3.24Å; T55-L59 WeakPolarHBondContact O-CB 3.29Å; T55-L59 WeakPolarHBondContact O-CD1 3.46Å; T55-L59 WeakPolarHBondContact O-CG 3.47Å; T55-L59 PolarHBondContact O-N 3.43Å
56V96.7Very high92.3Very high77 Ų77102.4 Ų102.447%0.46751%0.51SS..Hα-helixtrans-64.9-43.6174.7168.90000111.7L52 L53 L59 F60L52-V56 HydrophobicContact CD2-CG2 3.71Å; L52-V56 WeakPolarHBondContact O-CG2 3.42Å; L52-V56 PolarHBondContact O-N 3.34Å; L53-V56 PolarHBondContact O-N 3.33Å; V56-L59 PolarHBondContact O-N 2.82Å; V56-F60 WeakPolarHBondContact O-CB 3.19Å; V56-F60 PolarHBondContact O-N 2.84Å
57L96.4Very high93.4Very high116 Ų116106.5 Ų106.561%0.60752%0.521SS*.Hα-helixtrans-64.9-43.6178-171.5155.2000111.6L53 W54 F60 S61L53-L57 VanDerWaalsContact O-CB 3.31Å; L53-L57 WeakPolarHBondContact O-CB 3.11Å; L53-L57 PolarHBondContact O-N 3.4Å; W54-L57 PolarHBondContact O-N 2.91Å; L57-F60 PolarHBondContact O-N 3.02Å; L57-S61 WeakPolarHBondContact O-CB 3.46Å; L57-S61 PolarHBondContact O-N 3.4Å
58I96.7Very high94.2Very high93 Ų93106.9 Ų106.948%0.47752%0.52SS..Hα-helixtrans-63.8-44174.9-70.6168.2000110.9W54 C62W54-I58 HydrophobicContact CE3-CD1 3.84Å; W54-I58 HydrophobicContact CZ3-CD1 4.36Å; W54-I58 WeakPolarHBondContact O-CB 3.32Å; W54-I58 VanDerWaalsContact O-CG1 3.28Å; W54-I58 WeakPolarHBondContact O-CG1 3.36Å; W54-I58 PolarHBondContact O-N 2.8Å; I58-C62 WeakPolarHBondContact O-CB 3.32Å; I58-C62 PolarHBondContact O-N 2.83Å
59L96.7Very high94.6Very high109 Ų109107.8 Ų107.857%0.57152%0.523SS*.Hα-helixtrans-64.1-41.5176.4-76.2169.5000111.8T55 V56 C62 C63T55-L59 VanDerWaalsContact O-CB 3.24Å; T55-L59 WeakPolarHBondContact O-CB 3.29Å; T55-L59 WeakPolarHBondContact O-CD1 3.46Å; T55-L59 WeakPolarHBondContact O-CG 3.47Å; T55-L59 PolarHBondContact O-N 3.43Å; V56-L59 PolarHBondContact O-N 2.82Å; L59-C62 PolarHBondContact O-N 3.48Å; L59-C63 WeakPolarHBondContact O-CB 3.48Å; L59-C63 PolarHBondContact O-N 3.34Å; L59-C63 PolarHBondContact O-SG 3.24Å
60F96.9Very high94.7Very high147 Ų147107.1 Ų107.165%0.64552%0.52SS*.Hα-helixtrans-64.3-48.4176.8-176.3-102.5000111.4V56 L57 C62 C63 C64V56-F60 WeakPolarHBondContact O-CB 3.19Å; V56-F60 PolarHBondContact O-N 2.84Å; L57-F60 PolarHBondContact O-N 3.02Å; F60-C62 PolarHBondContact O-N 3.22Å; F60-C63 PolarHBondContact O-N 3.06Å; F60-C64 WeakPolarHBondContact O-CB 3.37Å; F60-C64 PolarHBondContact O-N 3.26Å; F60-C64 PolarHBondContact O-SG 2.81Å; F60-C64 VanDerWaalsContact O-SG 3.33Å
61S97.3Very high94.8Very high72 Ų72105.1 Ų105.150%0.50352%0.52SS..Hα-helixtrans-56.5-47.6174.7178.90000111.9L57 C63 C64 A65L57-S61 WeakPolarHBondContact O-CB 3.46Å; L57-S61 PolarHBondContact O-N 3.4Å; S61-C63 PolarHBondContact O-N 2.83Å; S61-C64 PolarHBondContact O-N 2.84Å; S61-A65 WeakPolarHBondContact O-CB 3.24Å; S61-A65 PolarHBondContact O-N 2.95Å
62C96.9Very high94.7Very high80 Ų80103.8 Ų103.854%0.54152%0.518SS..Hα-helixtrans-61.5-43.4175.5-1730000112.2I58 L59 F60 A65 Y66I58-C62 WeakPolarHBondContact O-CB 3.32Å; I58-C62 PolarHBondContact O-N 2.83Å; L59-C62 PolarHBondContact O-N 3.48Å; F60-C62 PolarHBondContact O-N 3.22Å; C62-A65 PolarHBondContact O-N 3.08Å; C62-Y66 WeakPolarHBondContact O-CB 3.21Å; C62-Y66 PolarHBondContact O-N 3.46Å
63C96.6Very high94.4Very high69 Ų69103.7 Ų103.747%0.46652%0.518SS..Hα-helixtrans-64.9-40176.9-80.60000112.6L59 F60 S61 Y66 R67L59-C63 WeakPolarHBondContact O-CB 3.48Å; L59-C63 PolarHBondContact O-N 3.34Å; L59-C63 PolarHBondContact O-SG 3.24Å; F60-C63 PolarHBondContact O-N 3.06Å; S61-C63 PolarHBondContact O-N 2.83Å; C63-Y66 PolarHBondContact O-N 3.21Å; C63-R67 WeakPolarHBondContact O-CB 3.43Å; C63-R67 WeakPolarHBondContact O-CG 3.3Å; C63-R67 PolarHBondContact O-N 3.42Å
64C94.8Very high93.8Very high56 Ų56105.4 Ų105.438%0.37852%0.517SS..Hα-helixtrans-65.9-49.1174.9-70.90000111F60 S61 Y66 R67 H68F60-C64 WeakPolarHBondContact O-CB 3.37Å; F60-C64 PolarHBondContact O-N 3.26Å; F60-C64 PolarHBondContact O-SG 2.81Å; F60-C64 VanDerWaalsContact O-SG 3.33Å; S61-C64 PolarHBondContact O-N 2.84Å; C64-Y66 VanDerWaalsContact C-N 3.3Å; C64-Y66 PolarHBondContact O-N 3.49Å; C64-R67 PolarHBondContact O-N 3.37Å; C64-H68 WeakPolarHBondContact O-CB 3.43Å; C64-H68 PolarHBondContact O-N 2.87Å
65A96.5Very high93.1Very high58 Ų58102.7 Ų102.748%0.47952%0.517SS..Hα-helixtrans-58.5-40.5174.200000112.2S61 C62 R69S61-A65 WeakPolarHBondContact O-CB 3.24Å; S61-A65 PolarHBondContact O-N 2.95Å; C62-A65 PolarHBondContact O-N 3.08Å; A65-R69 WeakPolarHBondContact O-CB 3.34Å; A65-R69 PolarHBondContact O-N 3.34Å
66Y95.4Very high92.4Very high133 Ų133105.1 Ų105.152%0.52252%0.523SS..Hα-helixtrans-68.9-44.6176.4176.8-102.8000112.8C62 C63 C64 R69 R70C62-Y66 WeakPolarHBondContact O-CB 3.21Å; C62-Y66 PolarHBondContact O-N 3.46Å; C63-Y66 PolarHBondContact O-N 3.21Å; C64-Y66 VanDerWaalsContact C-N 3.3Å; C64-Y66 PolarHBondContact O-N 3.49Å; Y66-R69 PolarHBondContact O-N 2.85Å; Y66-R70 WeakPolarHBondContact O-CB 3.4Å; Y66-R70 PolarHBondContact O-N 2.95Å; Y66-R70 PolarHBondContact OH-NH1 3.25Å
67R94Very high91.5Very high194 Ų194107.4 Ų107.473%0.73253%0.528SS*.Hα-helixtrans-61.5-46.8175.2-80.2-174.869.4161.9-0.2110.9C63 C64 R70 A71C63-R67 WeakPolarHBondContact O-CB 3.43Å; C63-R67 WeakPolarHBondContact O-CG 3.3Å; C63-R67 PolarHBondContact O-N 3.42Å; C64-R67 PolarHBondContact O-N 3.37Å; R67-R70 CarbonylContact O-C 3.55Å; R67-R70 PolarHBondContact O-N 3.39Å; R67-A71 WeakPolarHBondContact O-CB 3.32Å; R67-A71 PolarHBondContact O-N 2.85Å
68H92.9Very high90.7Very high106 Ų106107.3 Ų107.349%0.49152%0.524SS..Hα-helixtrans-60.7-48176.5172-141.8000111.9C64 R70 A71 K72C64-H68 WeakPolarHBondContact O-CB 3.43Å; C64-H68 PolarHBondContact O-N 2.87Å; H68-R70 VanDerWaalsContact C-N 3.34Å; H68-R70 PolarHBondContact O-N 2.99Å; H68-A71 PolarHBondContact O-N 3.41Å; H68-K72 WeakPolarHBondContact NE2-CD 3.34Å; H68-K72 WeakPolarHBondContact NE2-CE 3.36Å; H68-K72 PolarHBondContact NE2-NZ 2.94Å; H68-K72 PolarHBondContact O-N 3.27Å
69R92.9Very high90Very high179 Ų179108 Ų10868%0.67553%0.526SS*.Hα-helixtrans-61-40.9174-173.2176.4-177.2179.22.3111.8A65 Y66 K72 L73A65-R69 WeakPolarHBondContact O-CB 3.34Å; A65-R69 PolarHBondContact O-N 3.34Å; Y66-R69 PolarHBondContact O-N 2.85Å; R69-K72 PolarHBondContact O-N 2.86Å; R69-L73 HydrophobicContact CG-CD1 4.1Å; R69-L73 WeakPolarHBondContact O-CB 3.21Å; R69-L73 VanDerWaalsContact O-CG 3.23Å; R69-L73 WeakPolarHBondContact O-CG 3.17Å; R69-L73 PolarHBondContact O-N 3.35Å
70R90.3Very high89.3Confident118 Ų118111.1 Ų111.145%0.44553%0.53SS..Hα-helixtrans-71.2-30.7178.6-170169.6179.9176.1-6.2112.6Y66 R67 H68 R74Y66-R70 WeakPolarHBondContact O-CB 3.4Å; Y66-R70 PolarHBondContact O-N 2.95Å; Y66-R70 PolarHBondContact OH-NH1 3.25Å; R67-R70 CarbonylContact O-C 3.55Å; R67-R70 PolarHBondContact O-N 3.39Å; H68-R70 VanDerWaalsContact C-N 3.34Å; H68-R70 PolarHBondContact O-N 2.99Å; R70-R74 VanDerWaalsContact O-CG 3.3Å; R70-R74 WeakPolarHBondContact O-CG 3.23Å; R70-R74 PolarHBondContact O-N 2.84Å; R70-R74 VanDerWaalsContact O-N 3.1Å
71A90.5Very high88.6Confident45 Ų45110.6 Ų110.637%0.37253%0.53SS..Hα-helixtrans-66.8-52.7169.700000110.7R67 H68 L73 R74 V75R67-A71 WeakPolarHBondContact O-CB 3.32Å; R67-A71 PolarHBondContact O-N 2.85Å; H68-A71 PolarHBondContact O-N 3.41Å; A71-L73 VanDerWaalsContact C-N 3.3Å; A71-L73 PolarHBondContact O-N 3.05Å; A71-R74 WeakPolarHBondContact O-CB 3.18Å; A71-R74 PolarHBondContact O-N 2.81Å; A71-V75 PolarHBondContact O-N 3.3Å
72K88.5Confident88Confident124 Ų124116.2 Ų116.254%0.53954%0.54SS..Hα-helixtrans-57.4-40.2176.4-78-179165.4166.10112.7H68 R69 V75 Q76H68-K72 WeakPolarHBondContact NE2-CD 3.34Å; H68-K72 WeakPolarHBondContact NE2-CE 3.36Å; H68-K72 PolarHBondContact NE2-NZ 2.94Å; H68-K72 PolarHBondContact O-N 3.27Å; R69-K72 PolarHBondContact O-N 2.86Å; K72-V75 PolarHBondContact O-N 2.86Å; K72-Q76 WeakPolarHBondContact O-CB 3.4Å; K72-Q76 WeakPolarHBondContact O-CG 3.31Å; K72-Q76 PolarHBondContact O-N 2.84Å
73L85.6Confident87.6Confident81 Ų81116.8 Ų116.842%0.42453%0.534SS..Hα-helixtrans-64.7-37.8173.7-74.5169.7000113.3R69 A71 Q77R69-L73 HydrophobicContact CG-CD1 4.1Å; R69-L73 WeakPolarHBondContact O-CB 3.21Å; R69-L73 VanDerWaalsContact O-CG 3.23Å; R69-L73 WeakPolarHBondContact O-CG 3.17Å; R69-L73 PolarHBondContact O-N 3.35Å; A71-L73 VanDerWaalsContact C-N 3.3Å; A71-L73 PolarHBondContact O-N 3.05Å; L73-Q77 WeakPolarHBondContact O-CB 3.39Å; L73-Q77 VanDerWaalsContact O-CG 3.24Å; L73-Q77 WeakPolarHBondContact O-CG 3.36Å; L73-Q77 PolarHBondContact O-N 2.82Å
74R81.4Confident87.1Confident135 Ų135118 Ų11851%0.50954%0.535SS..Hα-helixtrans-64.9-44.7173.9-76.6170178.1139.6-13.1111.6R70 A71 Q77 Q78R70-R74 VanDerWaalsContact O-CG 3.3Å; R70-R74 WeakPolarHBondContact O-CG 3.23Å; R70-R74 PolarHBondContact O-N 2.84Å; R70-R74 VanDerWaalsContact O-N 3.1Å; A71-R74 WeakPolarHBondContact O-CB 3.18Å; A71-R74 PolarHBondContact O-N 2.81Å; R74-Q77 PolarHBondContact O-N 3.29Å; R74-Q78 WeakPolarHBondContact O-CB 3.24Å; R74-Q78 WeakPolarHBondContact O-CG 3.28Å; R74-Q78 PolarHBondContact O-N 3.33Å
75V82.9Confident86.8Confident87 Ų87117.8 Ų117.853%0.52753%0.534SS..Hα-helixtrans-62.3-46.7178176.20000110.5A71 K72 Q77 Q78 Q79A71-V75 PolarHBondContact O-N 3.3Å; K72-V75 PolarHBondContact O-N 2.86Å; V75-Q77 VanDerWaalsContact C-N 3.34Å; V75-Q77 PolarHBondContact O-N 2.89Å; V75-Q78 PolarHBondContact O-N 2.87Å; V75-Q79 WeakPolarHBondContact O-CB 3.21Å; V75-Q79 PolarHBondContact O-N 3.3Å
76Q80.1Confident86.3Confident129 Ų129119.7 Ų119.760%0.60354%0.536SS*.Hα-helixtrans-61.9-38.3174.9-74.2-179.4-19.400112.9K72 R80K72-Q76 WeakPolarHBondContact O-CB 3.4Å; K72-Q76 WeakPolarHBondContact O-CG 3.31Å; K72-Q76 PolarHBondContact O-N 2.84Å; Q76-R80 VanDerWaalsContact O-CB 3.27Å; Q76-R80 WeakPolarHBondContact O-CB 3.29Å; Q76-R80 PolarHBondContact O-N 3.26Å
77Q78Confident85.9Confident125 Ų125119 Ų11958%0.58454%0.541SS*.Hα-helixtrans-65.9-43.2174.2-78.3175.8-10.700112.1L73 R74 V75 Q81L73-Q77 WeakPolarHBondContact O-CB 3.39Å; L73-Q77 VanDerWaalsContact O-CG 3.24Å; L73-Q77 WeakPolarHBondContact O-CG 3.36Å; L73-Q77 PolarHBondContact O-N 2.82Å; R74-Q77 PolarHBondContact O-N 3.29Å; V75-Q77 VanDerWaalsContact C-N 3.34Å; V75-Q77 PolarHBondContact O-N 2.89Å; Q77-Q81 VanDerWaalsContact O-CB 3.32Å; Q77-Q81 WeakPolarHBondContact O-CB 3.45Å; Q77-Q81 WeakPolarHBondContact O-CG 3.17Å; Q77-Q81 PolarHBondContact O-N 2.96Å
78Q79.6Confident85.6Confident113 Ų113112.6 Ų112.653%0.52853%0.529SS..Hα-helixtrans-65.3-43.2176.4-76.3-178.5-10.100111.9R74 V75 Q81 R82R74-Q78 WeakPolarHBondContact O-CB 3.24Å; R74-Q78 WeakPolarHBondContact O-CG 3.28Å; R74-Q78 PolarHBondContact O-N 3.33Å; V75-Q78 PolarHBondContact O-N 2.87Å; Q78-Q81 PolarHBondContact O-N 3.29Å; Q78-R82 WeakPolarHBondContact O-CG 3.35Å; Q78-R82 PolarHBondContact O-N 3.43Å
79Q81.8Confident85Confident109 Ų109115.4 Ų115.451%0.50954%0.537SS..Hα-helixtrans-63-48.9176177.5168.2-15.100110.9V75 Q81 R82 E83V75-Q79 WeakPolarHBondContact O-CB 3.21Å; V75-Q79 PolarHBondContact O-N 3.3Å; Q79-Q81 VanDerWaalsContact C-N 3.26Å; Q79-Q81 PolarHBondContact O-N 2.8Å; Q79-R82 WeakPolarHBondContact O-CB 3.42Å; Q79-R82 PolarHBondContact O-N 3.26Å; Q79-E83 HydrophobicContact CG-CG 4.48Å; Q79-E83 VanDerWaalsContact CG-OE1 3.22Å; Q79-E83 WeakPolarHBondContact CG-OE1 3.49Å; Q79-E83 PolarHBondContact NE2-OE1 3.35Å; Q79-E83 WeakPolarHBondContact O-CG 3.49Å; Q79-E83 PolarHBondContact O-N 2.89Å
80R81.8Confident84.5Confident173 Ų173113.1 Ų113.165%0.65353%0.533SS*.Hα-helixtrans-61.8-33.4176.1-165.2-178.2-176-150.90.8112.3Q76 I84Q76-R80 VanDerWaalsContact O-CB 3.27Å; Q76-R80 WeakPolarHBondContact O-CB 3.29Å; Q76-R80 PolarHBondContact O-N 3.26Å; R80-I84 HydrophobicContact CG-CD1 3.96Å; R80-I84 WeakPolarHBondContact O-CB 3.2Å; R80-I84 WeakPolarHBondContact O-CD1 3.47Å; R80-I84 WeakPolarHBondContact O-CG1 3.5Å; R80-I84 PolarHBondContact O-N 3.47Å
81Q82.4Confident84.2Confident137 Ų137109.8 Ų109.864%0.6454%0.536SS*.Hα-helixtrans-71.3-36.7172.4-80.4-175.7-17.400112.8Q77 Q78 Q79 S85Q77-Q81 VanDerWaalsContact O-CB 3.32Å; Q77-Q81 WeakPolarHBondContact O-CB 3.45Å; Q77-Q81 WeakPolarHBondContact O-CG 3.17Å; Q77-Q81 PolarHBondContact O-N 2.96Å; Q78-Q81 PolarHBondContact O-N 3.29Å; Q79-Q81 VanDerWaalsContact C-N 3.26Å; Q79-Q81 PolarHBondContact O-N 2.8Å; Q81-S85 WeakPolarHBondContact O-CB 3.38Å; Q81-S85 PolarHBondContact O-N 3.1Å
82R85.1Confident83.3Confident189 Ų189111 Ų11171%0.71355%0.546SS*.Hα-helixtrans-63.2-44.2171.4-73.9176.9-177.8-170.92.4110.9Q78 Q79 S85 L86Q78-R82 WeakPolarHBondContact O-CG 3.35Å; Q78-R82 PolarHBondContact O-N 3.43Å; Q79-R82 WeakPolarHBondContact O-CB 3.42Å; Q79-R82 PolarHBondContact O-N 3.26Å; R82-S85 PolarHBondContact O-N 2.82Å; R82-L86 VanDerWaalsContact O-CB 3.24Å; R82-L86 WeakPolarHBondContact O-CB 3.24Å; R82-L86 PolarHBondContact O-N 2.89Å
83E88.5Confident82.1Confident92 Ų92110.9 Ų110.943%0.4355%0.551SS.*Hα-helixtrans-63.5-47176.1-70.5164.1-173.500112.1Q79 L86 L87Q79-E83 HydrophobicContact CG-CG 4.48Å; Q79-E83 VanDerWaalsContact CG-OE1 3.22Å; Q79-E83 WeakPolarHBondContact CG-OE1 3.49Å; Q79-E83 PolarHBondContact NE2-OE1 3.35Å; Q79-E83 WeakPolarHBondContact O-CG 3.49Å; Q79-E83 PolarHBondContact O-N 2.89Å; E83-L86 PolarHBondContact O-N 3.46Å; E83-L87 WeakPolarHBondContact O-CB 3.5Å; E83-L87 WeakPolarHBondContact O-CG 3.48Å; E83-L87 PolarHBondContact O-N 3.02Å
84I86.5Confident80.7Confident95 Ų95111 Ų11149%0.48756%0.559SS.*Hα-helixtrans-65.4-38.7175.6-70.5167.3000111.3R80 L87 A88R80-I84 HydrophobicContact CG-CD1 3.96Å; R80-I84 WeakPolarHBondContact O-CB 3.2Å; R80-I84 WeakPolarHBondContact O-CD1 3.47Å; R80-I84 WeakPolarHBondContact O-CG1 3.5Å; R80-I84 PolarHBondContact O-N 3.47Å; I84-L87 PolarHBondContact O-N 3.4Å; I84-A88 WeakPolarHBondContact O-CB 3.41Å; I84-A88 PolarHBondContact O-N 2.93Å
85S87.4Confident79.8Confident51 Ų51111.7 Ų111.736%0.35757%0.566SS.*Hα-helixtrans-65.7-42.3175.5-170.80000111.3Q81 R82 A88 Y89Q81-S85 WeakPolarHBondContact O-CB 3.38Å; Q81-S85 PolarHBondContact O-N 3.1Å; R82-S85 PolarHBondContact O-N 2.82Å; S85-A88 PolarHBondContact O-N 3.3Å; S85-Y89 WeakPolarHBondContact O-CD2 3.38Å; S85-Y89 PolarHBondContact O-N 3.46Å; S85-Y89 WeakPolarHBondContact OG-CE2 3Å
86L87.2Confident78.3Confident99 Ų99113.8 Ų113.852%0.51858%0.581SS.*Hα-helixtrans-63.9-43.3175.2-175.6153.8000110.9R82 E83 A88 Y89 H90R82-L86 VanDerWaalsContact O-CB 3.24Å; R82-L86 WeakPolarHBondContact O-CB 3.24Å; R82-L86 PolarHBondContact O-N 2.89Å; E83-L86 PolarHBondContact O-N 3.46Å; L86-A88 VanDerWaalsContact C-N 3.32Å; L86-A88 PolarHBondContact O-N 2.92Å; L86-Y89 PolarHBondContact O-N 3.47Å; L86-H90 PolarHBondContact O-CD2 2.83Å; L86-H90 PolarHBondContact O-N 2.93Å
87L87.1Confident76.7Confident117 Ų117112.6 Ų112.661%0.61359%0.587SS**Hα-helixtrans-61.8-37.6172.4-78.6164.1000112.2E83 I84 H90 G91E83-L87 WeakPolarHBondContact O-CB 3.5Å; E83-L87 WeakPolarHBondContact O-CG 3.48Å; E83-L87 PolarHBondContact O-N 3.02Å; I84-L87 PolarHBondContact O-N 3.4Å; L87-H90 PolarHBondContact O-N 3.35Å; L87-G91 PolarHBondContact O-N 3.48Å
88A87.5Confident75.3Confident60 Ų60111.3 Ų111.350%0.49659%0.592SS.*Hα-helixtrans-68.8-37.6173.900000112.1I84 S85 L86 G91 A92I84-A88 WeakPolarHBondContact O-CB 3.41Å; I84-A88 PolarHBondContact O-N 2.93Å; S85-A88 PolarHBondContact O-N 3.3Å; L86-A88 VanDerWaalsContact C-N 3.32Å; L86-A88 PolarHBondContact O-N 2.92Å; A88-G91 CarbonylContact O-C 3.59Å; A88-G91 PolarHBondContact O-N 3.18Å; A88-A92 VanDerWaalsContact O-CB 3.29Å; A88-A92 WeakPolarHBondContact O-CB 3.24Å; A88-A92 PolarHBondContact O-N 2.81Å
89Y81.3Confident73.8Confident166 Ų166115.1 Ų115.165%0.65161%0.612SS**Hα-helixtrans-66.6-42.5172.2-76.3-61.1000112S85 L86 G91 A92 N93S85-Y89 WeakPolarHBondContact O-CD2 3.38Å; S85-Y89 PolarHBondContact O-N 3.46Å; S85-Y89 WeakPolarHBondContact OG-CE2 3Å; L86-Y89 PolarHBondContact O-N 3.47Å; Y89-G91 VanDerWaalsContact C-N 3.32Å; Y89-G91 PolarHBondContact O-N 2.81Å; Y89-A92 PolarHBondContact O-N 3.42Å; Y89-N93 WeakPolarHBondContact O-CB 3.29Å; Y89-N93 PolarHBondContact O-N 3.46Å
90H81.3Confident72.5Confident130 Ų130116 Ų11660%0.60262%0.62SS**Hα-helixtrans-65.1-34.4172.5-87.7-98.5000112.6L86 L87 N93 S94L86-H90 PolarHBondContact O-CD2 2.83Å; L86-H90 PolarHBondContact O-N 2.93Å; L87-H90 PolarHBondContact O-N 3.35Å; H90-N93 CarbonylContact O-C 3.54Å; H90-S94 WeakPolarHBondContact O-CB 2.98Å; H90-S94 PolarHBondContact O-N 2.8Å
91G84.6Confident71.1Confident48 Ų48111.3 Ų111.350%0.49561%0.608SS.*Hα-helixtrans-76-19.4173.700000114.6L87 A88 Y89 S94L87-G91 PolarHBondContact O-N 3.48Å; A88-G91 CarbonylContact O-C 3.59Å; A88-G91 PolarHBondContact O-N 3.18Å; Y89-G91 VanDerWaalsContact C-N 3.32Å; Y89-G91 PolarHBondContact O-N 2.81Å; G91-S94 PolarHBondContact O-OG 3Å
92A71.1Confident69.9Low72 Ų72112 Ų11260%0.59562%0.615SS**Hα-helixtrans-89.2-37172.200000111.7A88 Y89 S94A88-A92 VanDerWaalsContact O-CB 3.29Å; A88-A92 WeakPolarHBondContact O-CB 3.24Å; A88-A92 PolarHBondContact O-N 2.81Å; Y89-A92 PolarHBondContact O-N 3.42Å; A92-S94 PolarHBondContact O-N 3.45Å
93N63.8Low68.7Low120 Ų120107.3 Ų107.364%0.64261%0.611SS**SBendtrans-79.813.5167.1-90.55.6000112.8Y89 H90 F95Y89-N93 WeakPolarHBondContact O-CB 3.29Å; Y89-N93 PolarHBondContact O-N 3.46Å; H90-N93 CarbonylContact O-C 3.54Å; N93-F95 PolarHBondContact O-N 2.91Å
94S56.5Low66.9Low84 Ų84109 Ų10959%0.58762%0.617SS**  trans-76.144.2173.781.70000112.6H90 G91 A92H90-S94 WeakPolarHBondContact O-CB 2.98Å; H90-S94 PolarHBondContact O-N 2.8Å; G91-S94 PolarHBondContact O-OG 3Å; A92-S94 PolarHBondContact O-N 3.45Å
95F60.8Low65.3Low150 Ų150109.1 Ų109.166%0.65862%0.618SS**SBendtrans-51.6141.9146.8-57-78.9000107.4N93 S97N93-F95 PolarHBondContact O-N 2.91Å; F95-S97 PolarHBondContact O-N 3.39Å
96P51.6Low63.9Low131 Ų131111 Ų11185%0.85164%0.636SS**  trans-70.687.6175.929.4-33.8000108.6S98P96-S98 PolarHBondContact O-N 2.9Å
97S48.1Very low62.3Low104 Ų104110.7 Ų110.773%0.72764%0.643SS**  trans-52.6116.1164.1-65.60000107.6F95 M99F95-S97 PolarHBondContact O-N 3.39Å; S97-M99 PolarHBondContact O-N 3.45Å
98S48Very low60.6Low98 Ų98109.8 Ų109.869%0.68564%0.638SS**  trans-47.5129.4157.1460000106.9P96 L100P96-S98 PolarHBondContact O-N 2.9Å; S98-L100 CarbonylContact O-C 3.48Å; S98-L100 PolarHBondContact O-N 2.89Å; S98-L100 VanDerWaalsContact O-O 3.11Å
99M48.6Very low59.2Low192 Ų192116.2 Ų116.295%0.94666%0.655SS**SBendtrans-62.8-2.7-160.1-162.9-174.1169.500114.8S97S97-M99 PolarHBondContact O-N 3.45Å
100L52.9Low58Low129 Ų129115.5 Ų115.568%0.67566%0.662SS**SBendtrans-127.5128.4175.6-52.9171.5000107.3S98S98-L100 CarbonylContact O-C 3.48Å; S98-L100 PolarHBondContact O-N 2.89Å; S98-L100 VanDerWaalsContact O-O 3.11Å
101D52.9Low56.3Low74 Ų74114.5 Ų114.540%0.39667%0.667SS.*SBend168.1-22.9118.5-160.126.6000112.3S103 F104 L105D101-S103 PolarHBondContact O-N 2.93Å; D101-F104 CarbonylContact O-C 3.47Å; D101-F104 WeakPolarHBondContact O-CA 3.29Å; D101-F104 WeakPolarHBondContact O-CB 2.93Å; D101-F104 PolarHBondContact O-N 3.38Å; D101-F104 VanDerWaalsContact OD1-CB 3.3Å; D101-F104 WeakPolarHBondContact OD1-CB 3.01Å; D101-L105 HydrophobicContact CB-CD1 4.33Å; D101-L105 PolarHBondContact O-N 2.9Å; D101-L105 WeakPolarHBondContact OD2-CD1 3.47Å; D101-L105 WeakPolarHBondContact OD2-CG 3.02Å
102L57.3Low54.6Low151 Ų151115.5 Ų115.579%0.79167%0.666SS**Hα-helixtrans-64.2-34.8-169.5-142.475.4000114.8L105 A106L102-L105 HydrophobicContact CD1-CD1 4.48Å; L102-A106 PolarHBondContact O-N 2.8Å; L102-A106 VanDerWaalsContact O-N 3.15Å
103S60.2Low53.6Low90 Ų90121.5 Ų121.563%0.62968%0.675SS**Hα-helixtrans-77.1-23.9171.750.20000113.4D101 S107D101-S103 PolarHBondContact O-N 2.93Å; S103-S107 PolarHBondContact O-OG 2.86Å
104F50.4Low53.4Low129 Ų129122.8 Ų122.857%0.56668%0.677SS**Hα-helixtrans-72.5-48.3169.7-94.5-101.8000110.4D101 A106 S107 L108D101-F104 CarbonylContact O-C 3.47Å; D101-F104 WeakPolarHBondContact O-CA 3.29Å; D101-F104 WeakPolarHBondContact O-CB 2.93Å; D101-F104 PolarHBondContact O-N 3.38Å; D101-F104 VanDerWaalsContact OD1-CB 3.3Å; D101-F104 WeakPolarHBondContact OD1-CB 3.01Å; F104-A106 VanDerWaalsContact C-N 3.29Å; F104-A106 PolarHBondContact O-N 3.36Å; F104-S107 CarbonylContact O-C 3.48Å; F104-S107 VanDerWaalsContact O-CA 3.32Å; F104-S107 WeakPolarHBondContact O-CA 3.46Å; F104-S107 WeakPolarHBondContact O-CB 3.01Å; F104-S107 PolarHBondContact O-N 2.86Å; F104-L108 HydrophobicContact CB-CD1 4.41Å; F104-L108 WeakPolarHBondContact O-CB 3.36Å; F104-L108 VanDerWaalsContact O-CG 3.3Å; F104-L108 WeakPolarHBondContact O-CG 3.5Å; F104-L108 PolarHBondContact O-N 3.39Å
105L53.4Low53.4Low97 Ų97125.9 Ų125.951%0.50868%0.682SS.*Hα-helixtrans-58-37174.5-72.3167.6000113D101 L102 S107 L108D101-L105 HydrophobicContact CB-CD1 4.33Å; D101-L105 PolarHBondContact O-N 2.9Å; D101-L105 WeakPolarHBondContact OD2-CD1 3.47Å; D101-L105 WeakPolarHBondContact OD2-CG 3.02Å; L102-L105 HydrophobicContact CD1-CD1 4.48Å; L105-S107 PolarHBondContact O-N 3.26Å; L105-L108 HydrophobicContact CD2-CD1 4.06Å; L105-L108 PolarHBondContact O-N 2.83Å
106A56.4Low53.1Low89 Ų89123 Ų12374%0.73668%0.677SS**THydrogen-bonded Turntrans-64.1-20.1171.300000113.9L102 F104L102-A106 PolarHBondContact O-N 2.8Å; L102-A106 VanDerWaalsContact O-N 3.15Å; F104-A106 VanDerWaalsContact C-N 3.29Å; F104-A106 PolarHBondContact O-N 3.36Å
107S54.3Low53.3Low94 Ų94121 Ų12166%0.65767%0.671SS**THydrogen-bonded Turntrans-108.4-13.5-179.9-51.80000113.5S103 F104 L105 K109S103-S107 PolarHBondContact O-OG 2.86Å; F104-S107 CarbonylContact O-C 3.48Å; F104-S107 VanDerWaalsContact O-CA 3.32Å; F104-S107 WeakPolarHBondContact O-CA 3.46Å; F104-S107 WeakPolarHBondContact O-CB 3.01Å; F104-S107 PolarHBondContact O-N 2.86Å; L105-S107 PolarHBondContact O-N 3.26Å; S107-K109 PolarHBondContact O-N 2.84Å
108L51.7Low53.6Low97 Ų97119.8 Ų119.851%0.50867%0.667SS.*  trans-77.270.1179.4-80.5166000110.3F104 L105 L110F104-L108 HydrophobicContact CB-CD1 4.41Å; F104-L108 WeakPolarHBondContact O-CB 3.36Å; F104-L108 VanDerWaalsContact O-CG 3.3Å; F104-L108 WeakPolarHBondContact O-CG 3.5Å; F104-L108 PolarHBondContact O-N 3.39Å; L105-L108 HydrophobicContact CD2-CD1 4.06Å; L105-L108 PolarHBondContact O-N 2.83Å; L108-L110 PolarHBondContact O-N 3.17Å
109K58.3Low53.7Low195 Ų195122.5 Ų122.585%0.84867%0.669SS**  trans-54113163.7-173.5177.4-177.466.60108S107S107-K109 PolarHBondContact O-N 2.84Å
110L56.7Low53.9Low151 Ų151118.4 Ų118.479%0.79166%0.657SS**PPolyproline II helixtrans-53.2137.3-174.5-72.673.7000110.3L108 S112L108-L110 PolarHBondContact O-N 3.17Å; L110-S112 PolarHBondContact O-N 3.31Å
111P45.2Very low54Low110 Ų110118.4 Ų118.471%0.71467%0.667SS**PPolyproline II helixtrans-52.4136.7172.5-26.334.7000110.8
112S49.1Very low54.1Low68 Ų68120.2 Ų120.248%0.47668%0.681SS.*PPolyproline II helixtrans-66.9144.2175.645.70000110.3L110 E114 E115L110-S112 PolarHBondContact O-N 3.31Å; S112-E114 WeakPolarHBondContact CB-OE2 3.49Å; S112-E114 PolarHBondContact O-N 3.44Å; S112-E114 VanDerWaalsContact OG-CD 3.27Å; S112-E114 PolarHBondContact OG-OE2 2.88Å; S112-E115 PolarHBondContact O-N 2.89Å
113Y48.7Very low54Low199 Ų199118.5 Ų118.578%0.7868%0.679SS**THydrogen-bonded Turntrans-64.4-5.4-171.4-168.2-102.3000114.2
114E60Low53.8Low146 Ų146119.6 Ų119.668%0.68268%0.684SS**THydrogen-bonded Turntrans-64.6-34.8176.768.5-157.7-95.300113.6S112 V116 A117S112-E114 WeakPolarHBondContact CB-OE2 3.49Å; S112-E114 PolarHBondContact O-N 3.44Å; S112-E114 VanDerWaalsContact OG-CD 3.27Å; S112-E114 PolarHBondContact OG-OE2 2.88Å; E114-V116 VanDerWaalsContact C-N 3.33Å; E114-V116 PolarHBondContact O-N 3.16Å; E114-A117 PolarHBondContact O-N 2.99Å
115E56Low53.9Low149 Ų149118.6 Ų118.670%0.69669%0.691SS**G310 helixtrans-69.7-31.2-175.5-166.9173.3-173.700112.3S112 A117 A118S112-E115 PolarHBondContact O-N 2.89Å; E115-A117 VanDerWaalsContact C-N 3.29Å; E115-A117 PolarHBondContact O-N 3.18Å; E115-A118 PolarHBondContact O-N 2.72Å
116V55.1Low53.7Low91 Ų91119.9 Ų119.955%0.55271%0.705SS**G310 helixtrans-70.6-26.1178.5-176.20000112E114 A118E114-V116 VanDerWaalsContact C-N 3.33Å; E114-V116 PolarHBondContact O-N 3.16Å; V116-A118 PolarHBondContact O-N 3.17Å
117A55.6Low53.2Low88 Ų88126.6 Ų126.673%0.72771%0.713SS**G310 helixtrans-73.2-12.1178.800000113.5E114 E115 Q119E114-A117 PolarHBondContact O-N 2.99Å; E115-A117 VanDerWaalsContact C-N 3.29Å; E115-A117 PolarHBondContact O-N 3.18Å; A117-Q119 PolarHBondContact O-N 3.02Å
118A54.8Low53Low78 Ų78127 Ų12765%0.64572%0.716SS**G310 helixtrans-91.716.5-174.400000115E115 V116 P120E115-A118 PolarHBondContact O-N 2.72Å; V116-A118 PolarHBondContact O-N 3.17Å; A118-P120 WeakPolarHBondContact O-CD 3.04Å
119Q51Low52.9Low156 Ų156127.8 Ų127.873%0.72973%0.729SS**  trans-62.1123.6176-72.9-165.611.800111.7A117 S121A117-Q119 PolarHBondContact O-N 3.02Å; Q119-S121 PolarHBondContact O-N 3.18Å
120P53Low52.3Low105 Ų105124.2 Ų124.268%0.68272%0.724SS**  trans-67134.1171.428.3-33.4000109.9A118 T122A118-P120 WeakPolarHBondContact O-CD 3.04Å; P120-T122 VanDerWaalsContact C-N 3.3Å; P120-T122 PolarHBondContact O-N 3.38Å
121S53.3Low51.9Low129 Ų129126.3 Ų126.390%0.90273%0.727SS**  trans-73.476.6-176.7-55.70000113.1Q119Q119-S121 PolarHBondContact O-N 3.18Å
122T56.5Low51.7Low113 Ų113126.6 Ų126.669%0.69373%0.727SS**PPolyproline II helixtrans-100.7124.1167.556.80000110.4P120P120-T122 VanDerWaalsContact C-N 3.3Å; P120-T122 PolarHBondContact O-N 3.38Å
123P53.6Low51.3Low114 Ų114129.4 Ų129.474%0.7474%0.741SS**PPolyproline II helixtrans-66.2147.9175.628.9-34.5000110.9
124P56.8Low51Low113 Ų113125.2 Ų125.273%0.73474%0.738SS**PPolyproline II helixtrans-65.2149.3-179.827.4-35000111.8
125P51.6Low49.8Very low108 Ų108129.5 Ų129.570%0.70175%0.748SS**PPolyproline II helixtrans-64.5149.6176.728.1-35000111.4Y127P125-Y127 PolarHBondContact O-N 2.97Å
126P50.7Low48.8Very low124 Ų124133.2 Ų133.281%0.80576%0.757SS**PPolyproline II helixtrans-67.8131.4-17827.7-34.5000111.5S128P126-S128 PolarHBondContact O-N 3.27Å; P126-S128 VanDerWaalsContact O-N 3.09Å
127Y45.3Very low48.2Very low230 Ų230134.5 Ų134.590%0.90277%0.768SS**  trans-63.8107.3174.7-85.7-95.4000111.3P125 S129P125-Y127 PolarHBondContact O-N 2.97Å; Y127-S129 PolarHBondContact O-N 3.12Å
128S50.4Low47.4Very low104 Ų104137.2 Ų137.273%0.72777%0.765SS**  trans-78.7109.2165.7470000110P126 V130P126-S128 PolarHBondContact O-N 3.27Å; P126-S128 VanDerWaalsContact O-N 3.09Å; S128-V130 PolarHBondContact O-N 3.3Å
129S49.5Very low46.7Very low112 Ų112138.7 Ų138.778%0.78377%0.768SS**  trans-72.891.6176.146.60000111Y127 F131Y127-S129 PolarHBondContact O-N 3.12Å; S129-F131 PolarHBondContact O-N 3.24Å
130V46.3Very low46.4Very low121 Ų121137.3 Ų137.373%0.73377%0.773SS**  trans-71.788.3179.2-1710000110.6S128 T132S128-V130 PolarHBondContact O-N 3.3Å; V130-T132 PolarHBondContact O-N 3.14Å
131F48.4Very low45.6Very low195 Ų195142.9 Ų142.986%0.85578%0.78SS**  trans-86.681.2-174.8-161.6-80000111.4S129S129-F131 PolarHBondContact O-N 3.24Å
132T40.6Very low44.8Very low116 Ų116141.5 Ų141.571%0.71278%0.777SS**  trans-141.694.8175.954.20000114.4V130V130-T132 PolarHBondContact O-N 3.14Å
133T40.9Very low43.9Very low126 Ų126140.9 Ų140.977%0.77378%0.783SS**  -79.7163.2129.550.60000107.7
134P41.1Very low43Very low111 Ų111142.8 Ų142.872%0.72179%0.787SS**  cis-139.8170.120.641.2-22.8000117
135R36Very low42.9Very low237 Ų237142.4 Ų142.489%0.89479%0.785SS**  trans155.8105.6130-88.7-173.8173.2143.31.1112.4
136Y35.2Very low42Very low226 Ų226145.1 Ų145.189%0.88679%0.787SS**  trans-70.4140.9153.4-97.5-100.5000110.1
137P42.4Very low41.2Very low119 Ų119145.3 Ų145.377%0.77378%0.781SS**  trans-74.9132.5149.6-8.726.6000109.1
138Q39Very low40.8Very low145 Ų145140.8 Ų140.868%0.67877%0.772SS**  trans-120.1123.6179-167.7-169.53.400110.4
139P39.1Very low39.9Very low108 Ų108141.6 Ų141.670%0.70177%0.772SS**PPolyproline II helixtrans-66.2148.1167.1-20.633.9000111.7
140P44.3Very low39.2Very low128 Ų128144.4 Ų144.483%0.83177%0.773SS**PPolyproline II helixtrans-73147.4-168.729.2-35.7000113.6
141R35.7Very low38.6Very low221 Ų221147.8 Ų147.883%0.83478%0.781SS**PPolyproline II helixtrans-77.5127.4167.4-74.1-175.8168.8106.9-3.7110.5
142A38.3Very low37.8Very low101 Ų101142 Ų14284%0.83578%0.776SS**PPolyproline II helixtrans-91.8165.3151.900000109.5
143A36.2Very low37.7Very low99 Ų99141.1 Ų141.182%0.81877%0.774SS**PPolyproline II helixtrans-99.4123.2-159.700000115.1
144D35.9Very low37.4Very low154 Ų154142.1 Ų142.182%0.82478%0.775SS**  trans71.1176.9133.3-123.617000117.7
145P53.6Low37.6Very low106 Ų106143.3 Ų143.369%0.68878%0.775SS**  -126.5-175.3-113.838.8-20.6000114.1
146H32.8Very low37.6Very low164 Ų164137.4 Ų137.476%0.75977%0.771SS**  158.4128.7127.1-169.9-127.9000114.1
147L33.7Very low38Very low129 Ų129131.9 Ų131.968%0.67577%0.765SS**  trans66.2153.2151-93.6-168.6000124.7
148L37.2Very low37.9Very low135 Ų135132 Ų13271%0.70777%0.769SS**  trans74.695.1151.8-68.8165.3000121.4
149T32.3Very low37.7Very low120 Ų120131.4 Ų131.474%0.73678%0.779SS**  61145.9110-440000121.8
150Q35.1Very low37.6Very low171 Ų171132 Ų13280%0.79979%0.785SS**  trans113.393.9140.3-142.5154.11000118.1
151H33Very low37.1Very low193 Ų193132.1 Ų132.189%0.89479%0.788SS**  28.1113113.7-130.2-88.3000117.1
152G31.1Very low37.1Very low74 Ų74128.4 Ų128.476%0.76379%0.785SS**  trans-172.6110.1169.500000112.6
153S38.5Very low36.8Very low96 Ų96128.2 Ų128.267%0.67178%0.777SS**  trans-68.4155.2151.351.50000107.8
154D34.8Very low36.9Very low148 Ų148129.5 Ų129.579%0.79178%0.779SS**  -171.5168.466.5-101.2-63000114.2
155N45.5Very low36.8Very low135 Ų135128.4 Ų128.472%0.72278%0.782SS**  trans-60.6130.7172.4162.847.9000113.6
156S36.5Very low36.3Very low114 Ų114129.2 Ų129.280%0.79779%0.787SS**  trans-172.1117.8138.1-83.30000112.7
157S43.4Very low36.4Very low110 Ų110126.5 Ų126.577%0.76979%0.787SS**  trans-77.6131.6166.2-60.60000111.3
158S39.3Very low36.5Very low122 Ų122125.9 Ų125.985%0.85379%0.793SS**  trans-179119.3147-84.80000112.3
159C34.9Very low36.7Very low131 Ų131125.5 Ų125.589%0.88580%0.798SS**  trans-146.3118.9149.655.70000109.3
160S36.6Very low36.5Very low120 Ų120125.5 Ų125.584%0.83980%0.802SS**  trans-76.8153.3-180-470000111.1
161C34Very low36.5Very low132 Ų132123.3 Ų123.389%0.89281%0.806SS**  trans-126.7132.2150.659.20000108.4
162D35.4Very low36.4Very low143 Ų143120 Ų12077%0.76580%0.804SS**  trans-146.7151.6-175.7-162.4-40000107.9
163S33.8Very low36.5Very low96 Ų96122.5 Ų122.567%0.67181%0.81SS**  trans63.982.6164.6-65.80000118.3
164C37.5Very low36.1Very low126 Ų126125.9 Ų125.985%0.85182%0.82SS**  36.7131.2114.7-54.60000121.2
165C34.6Very low36.1Very low131 Ų131124.6 Ų124.689%0.88582%0.823SS**  trans-152.8162.9149.5-101.70000111.5
166P43.1Very low35.7Very low124 Ų124122.5 Ų122.581%0.80582%0.824SS**  trans-117.3-170.1-139.843.5-36.1000117.2
167S34.8Very low36.3Very low107 Ų107122.1 Ų122.175%0.74882%0.819SS**  trans-78.4160.4-165.9-40.80000118.1
168S34.6Very low35.7Very low115 Ų115124.7 Ų124.780%0.80482%0.822SS**  trans77159.6156.5-56.80000117.6
169P41.9Very low35.4Very low127 Ų127124.2 Ų124.283%0.82581%0.814SS**  cis-124.7-170.73.542.4-27.1000115.3
170C27.9Very low35.3Very low121 Ų121128.5 Ų128.582%0.81881%0.813SS**  trans-77.8155.7-173.6-44.20000115.5
171S34.3Very low35.3Very low125 Ų125130.8 Ų130.887%0.87481%0.811SS**  -172.9145.5119.6-82.90000115.4
172S32.8Very low35.3Very low122 Ų122130.4 Ų130.485%0.85380%0.804SS**  trans-65159.1-172.4-39.30000118
173S32.8Very low34.9Very low128 Ų128130.3 Ų130.390%0.89580%0.804SS**  trans-151.5154.5134.551.50000111.1
174L29.6Very low35Very low167 Ų167130.9 Ų130.987%0.87480%0.803SS**  trans-111.8146.1-158.7-156.982.7000112.5
175S34.6Very low34.7Very low121 Ų121130 Ų13085%0.84680%0.799SS**  trans-165.579.2161.2-80.70000114.7
176A38.3Very low34.7Very low91 Ų91132 Ų13275%0.75280%0.795SS**  trans50.3163.6130.300000123.3
177P47.5Very low34.1Very low106 Ų106130.4 Ų130.469%0.68879%0.792SS**  -145.3167.3-53.844.1-28.7000115.8
178I31.5Very low33.9Very low164 Ų164130.7 Ų130.784%0.84179%0.794SS**  trans55.5158.8163.427.2173.7000119.3
179T32.7Very low34.2Very low111 Ų111131.8 Ų131.868%0.68180%0.796SS**  cis-140.7141.2142.60000111.2
180Y33Very low34Very low221 Ų221131.4 Ų131.487%0.86779%0.793SS**  -171.2137.1117.755.7-107000113.6
181E35.8Very low34.4Very low169 Ų169136.2 Ų136.279%0.7979%0.794SS**  trans42.7105.7158.7-49.7-42.286.600122.7
182T34.5Very low34.9Very low123 Ų123135.6 Ų135.676%0.75579%0.787SS**  trans-48.6162.8141-3.90000112.4
183D26.9Very low35.4Very low142 Ų142135.2 Ų135.276%0.75978%0.782SS**  cis-150.6173.210.8-158.1-0.4000112.3
184T35.7Very low35.7Very low107 Ų107135.2 Ų135.266%0.65678%0.777SS**  trans-126.3125.7-179.8-65.20000112.8
185S31.6Very low36.5Very low109 Ų109132.5 Ų132.576%0.76277%0.769SS**  trans-163.8123.3150.726.60000109.4
186H34.5Very low36.4Very low172 Ų172133 Ų13380%0.79677%0.767SS**  88.9125.154.6-86.7-69.8000114.5
187A31.7Very low35.9Very low90 Ų90132.8 Ų132.874%0.74477%0.766SS**  trans82.2123.2154.300000120.8
188S29.9Very low35.6Very low114 Ų114135.4 Ų135.480%0.79777%0.774SS**  trans79.7122.3142.8-57.90000121.2
189T41.3Very low36.3Very low138 Ų138133.3 Ų133.385%0.84777%0.771SS**  trans-57.1145.7164.1-32.90000112.5
190P36.2Very low36.5Very low118 Ų118132.9 Ų132.977%0.76677%0.773SS**  trans-135.8153.3131.735.9-24.7000114.9
191R37.4Very low36.3Very low222 Ų222128.9 Ų128.984%0.83877%0.766SS**  trans-76.5140178163.4-176.3178.3-166.45.1112.2
192P43.8Very low35.9Very low112 Ų112126.6 Ų126.673%0.72777%0.767SS**  trans-77.1155.6168-13.730000113.5
193P43.3Very low35.8Very low114 Ų114127 Ų12774%0.7477%0.774SS**  trans-108.7160.1-16140.1-34.9000116.4
194T39.9Very low35.9Very low129 Ų129123.7 Ų123.779%0.79177%0.774SS**  trans-97.3140.9145.143.60000109
195P47.3Very low36.4Very low109 Ų109124.5 Ų124.571%0.70878%0.781SS**  -141.7177105.838.6-22.5000111.1
196T30.9Very low36.5Very low131 Ų131126.2 Ų126.280%0.80479%0.786SS**  cis-164.1142.333-44.70000110.2
197A29.2Very low36.4Very low88 Ų88127.4 Ų127.473%0.72779%0.792SS**  trans159.9115.1134.600000113.6
198N39.9Very low36.3Very low160 Ų160127.9 Ų127.986%0.85680%0.796SS**  trans-116.8152.3153.6-60.35.9000105.8
199P46.1Very low36.3Very low120 Ų120130.4 Ų130.478%0.77980%0.8SS**  -155159.180.142-23000118.3
200S36.7Very low35.9Very low102 Ų102131.2 Ų131.271%0.71379%0.794SS**  trans71.5153.9142.7-117.70000124.4
201D29.6Very low35.5Very low137 Ų137132.5 Ų132.573%0.73380%0.8SS**  trans78.895.6147.6-57-8.7000121.6
202C28Very low35.3Very low121 Ų121129.3 Ų129.382%0.81880%0.799SS**  26.4125.2123.8-57.90000120.5
203C31.1Very low34.7Very low133 Ų133131.1 Ų131.190%0.89980%0.802SS**  -175.8130.6113.3-114.50000115.5
204G29.1Very low33.9Very low72 Ų72131 Ų13174%0.74280%0.803SS**  trans87.5139.2138.600000119.5
205P47.3Very low33.6Very low124 Ų124130.3 Ų130.381%0.80580%0.804SS**  trans-108.4165.4172.740.2-32.8000113.7
206V32.8Very low32.9Very low145 Ų145137.1 Ų137.188%0.87982%0.816SS**  trans-137.7154.6146-81.50000110.1
207E32.8Very low32.7Very low196 Ų196136.9 Ų136.992%0.91681%0.814SS**  trans-54.1153.7-156.2-60.9170.2115.200118.4
208A28.9Very low32.9Very low100 Ų100141.6 Ų141.683%0.82682%0.819SS**  trans-92.3171.1165.800000111.1
209L31.1Very low32.5Very low168 Ų168141.5 Ų141.588%0.8882%0.818SS**  trans-127.7146.5157.1-162.5135000110
210E31.9Very low32.8Very low154 Ų154140.9 Ų140.972%0.7281%0.814SS**  trans-78.5148.4-152.3-57.7165103.700115.2
211T28.5Very low33.6Very low145 Ų145141.3 Ų141.389%0.8982%0.815SS**  trans-125.3112.9148.353.80000108.5
212L32.7Very low33.7Very low156 Ų156141.1 Ų141.182%0.81782%0.824SS**  trans-84.1122.2179.8-83.2161.5000111.5
213D31.9Very low34.1Very low150 Ų150139.9 Ų139.980%0.80282%0.822SS**  trans-149.9140.9138.3-159.2-6.2000110.5
214S27.3Very low34.9Very low110 Ų110139 Ų13977%0.76982%0.815SS**  trans-174.8102.8169.9-85.20000112.3
215S33Very low35Very low116 Ų116141.4 Ų141.481%0.81182%0.821SS**  trans14.2137.5130.9-55.40000119.6
216R31.6Very low34.3Very low251 Ų251141.8 Ų141.895%0.94782%0.821SS**  trans-143.6141.9156.1-146.8172.6-168.4170.55.7115.2
217T27.6Very low35.1Very low126 Ų126140.4 Ų140.477%0.77382%0.815SS**  trans-102.4164.2-174.1-57.70000112.2
218F32.9Very low34.9Very low188 Ų188136.6 Ų136.683%0.82581%0.81SS**  trans-34.1151.8173.9-76.9-101.8000118.8
219D32.2Very low35.2Very low157 Ų157136.1 Ų136.184%0.8481%0.806SS**  -163.3165.2114.6-107.9-19.6000113.1
220P51.4Low35.8Very low108 Ų108134.3 Ų134.370%0.70180%0.804SS**  trans-115-150.9-166.847.7-39.7000112.4
221P53.4Low36Very low111 Ų111131.6 Ų131.672%0.72180%0.802SS**  cis-131.5167.8-20.539.8-24.9000115.2
222S33.2Very low37.1Very low132 Ų132130.6 Ų130.692%0.92380%0.798SS**  trans-173.1158.6148.9-860000113
223A35.7Very low37.2Very low95 Ų95130 Ų13079%0.78580%0.796SS**  trans-139-176.5-176.300000110.1
224P48.1Very low37.4Very low116 Ų116128.8 Ų128.875%0.75379%0.794SS**  cis-136.2176.2-1.743.5-27.6000115.8
225S30.5Very low37.7Very low122 Ų122130.1 Ų130.185%0.85379%0.792SS**  171137.8129.9-76.50000113.5
226T33.3Very low37.7Very low131 Ų131133.6 Ų133.680%0.80479%0.787SS**  trans-97.3160.3172.9-6.20000110.9
227P49.6Very low37.8Very low117 Ų117127.7 Ų127.776%0.7678%0.779SS**  -128178.969.47.517.8000113
228S28.7Very low38.2Very low115 Ų115129.5 Ų129.580%0.80478%0.78SS**  cis-163178.1-9.2-110.50000110.2
229A34.9Very low37.9Very low90 Ų90125.1 Ų125.174%0.74478%0.779SS**  trans-129.4175.5165.400000110.9
230P44.6Very low38Very low130 Ų130126.2 Ų126.284%0.84478%0.784SS**  -143.3167.288.839.6-25000116
231S34.8Very low36.8Very low98 Ų98128.9 Ų128.969%0.68578%0.784SS**  trans-93-179.6170.859.50000112.3
232P52.4Low35.8Very low123 Ų123128.7 Ų128.780%0.79979%0.792SS**  -14516186.339.3-23.6000116.4
233D35.2Very low35.6Very low143 Ų143127.5 Ų127.577%0.76578%0.775SS**  trans-81.7166.8168.4-67.8-75.1000113.6
234V35.6Very low35.5Very low126 Ų126128 Ų12876%0.76477%0.773SS**  152.9125.2122.31630000113.1
235L32.7Very low34.9Very low138 Ų138127.2 Ų127.272%0.72378%0.777SS**  trans33.8131.4154.4-65.3167.4000119.5
236R34.3Very low35Very low189 Ų189126.4 Ų126.471%0.71377%0.771SS**  -179.8144.867.7171.1156.4-79.4132.7-0.7113.2M238R236-M238 HydrophobicContact CG-CE 4.42Å
237T32.7Very low34.9Very low126 Ų126131.2 Ų131.277%0.77377%0.774SS**  trans-56.2135.4168.3-39.50000113.9
238M35.6Very low34.1Very low164 Ų164133.1 Ų133.181%0.80878%0.777SS**  trans-136.2108.6162.9-59.2-68.1-175.900108.9R236R236-M238 HydrophobicContact CG-CE 4.42Å
239A27.4Very low34.3Very low96 Ų96133.9 Ų133.979%0.79378%0.777SS**  trans-92.3134.7168.700000109.1
240L33.5Very low35.1Very low181 Ų181134.6 Ų134.695%0.94877%0.774SS**  trans-108.7140.9170.9-79.1178.1000111.5
241K26.7Very low34.5Very low164 Ų164135.4 Ų135.471%0.71377%0.772SS**  trans-106.6124.1-167.5169.5-173.9172.168.20109.1D243K241-D243 WeakPolarHBondContact CE-OD2 3.4Å; K241-D243 IonicContact NZ-OD2 2.61Å; K241-D243 PolarHBondContact NZ-OD2 3.11Å
242A32.8Very low34.4Very low106 Ų106139.1 Ų139.188%0.87678%0.778SS**  trans-107.2138156.700000107.6
243D27.8Very low33.3Very low107 Ų107140.5 Ų140.557%0.57278%0.779SS**  trans-130.2133.5-170.7-154.9-14.7000112K241K241-D243 WeakPolarHBondContact CE-OD2 3.4Å; K241-D243 IonicContact NZ-OD2 2.61Å; K241-D243 PolarHBondContact NZ-OD2 3.11Å
244S35.3Very low33.3Very low105 Ų105139.4 Ų139.473%0.73478%0.777SS**  trans21.1126.3157.3-52.40000121.8
245A34.5Very low33Very low101 Ų101138.1 Ų138.184%0.83577%0.774SS**  -147.1162.6126.300000109.7
246S32.4Very low33Very low104 Ų104138.3 Ų138.373%0.72778%0.78SS**  trans-152.2138.7-166.1-81.30000115.7
247R30.8Very low33.1Very low232 Ų232135.4 Ų135.488%0.87578%0.783SS**  trans63.3162.2155.7-59.6177169.5-152.4-4.8115.5
248L32.4Very low34Very low158 Ų158134.8 Ų134.883%0.82778%0.781SS**  cis-141-175.524.1-75.5162.1000112.7
249T33.2Very low33.8Very low130 Ų130131.1 Ų131.180%0.79878%0.777SS**  trans-130.5-173.7177.156.30000109.8
250P52.4Low33.9Very low106 Ų106134.3 Ų134.369%0.68878%0.781SS**  cis-132.5-169.9-25.829.3-6.2000114.9
251D31.8Very low34Very low147 Ų147129.7 Ų129.779%0.78677%0.768SS**  trans106.6156.2133.6-114.9-61.5000124.8
252Q33.2Very low34.8Very low175 Ų175127.5 Ų127.582%0.81877%0.771SS**  trans85.488169.4-74.5176.79400124.1
253D29.4Very low34.9Very low153 Ų153128.6 Ų128.682%0.81877%0.766SS**  65149106-135.9-1.5000127.2
254V35.3Very low35.1Very low120 Ų120129.4 Ų129.473%0.72778%0.776SS**  trans55.9126163.5-126.50000125.8
255S28.5Very low35.7Very low99 Ų99129.7 Ų129.769%0.69278%0.775SS**  107.8105.6124.9-132.10000124.2
256V32.3Very low35.4Very low141 Ų141131.2 Ų131.286%0.85577%0.774SS**  trans73.1151.2130.51780000122.3
257V36.2Very low35.3Very low129 Ų129134.5 Ų134.578%0.78278%0.778SS**  trans-118165.4-163.9125.80000108.9
258P52.2Low35.2Very low112 Ų112129.2 Ų129.273%0.72777%0.771SS**  cis-147.9-175.83837.3-13.4000119.7
259A31.2Very low35.1Very low87 Ų87129.2 Ų129.272%0.71977%0.771SS**  trans71.5150.8153.500000118.9
260D30.6Very low34.9Very low164 Ų164127.7 Ų127.788%0.87777%0.771SS**  cis-142.7173.311.2-127.3-31.5000112.8
261A34.1Very low34Very low83 Ų83127.9 Ų127.969%0.68678%0.775SS**  trans-129.1157.517300000111.3
262P44.8Very low34.9Very low118 Ų118126.9 Ų126.977%0.76678%0.777SS**  -155.5150.292.238.5-19000118.7
263V35.8Very low34.8Very low129 Ų129124.8 Ų124.878%0.78277%0.771SS**  trans30.5128132.2-1620000122.1
264T30.1Very low35.4Very low125 Ų125123 Ų12377%0.76777%0.768SS**  trans-15.8173.2144.113.90000120
265P49.2Very low35.3Very low110 Ų110122.4 Ų122.471%0.71476%0.764SS**  cis-140-168.28.141.6-21.6000116.2
266T27Very low35.3Very low134 Ų134125.6 Ų125.682%0.82277%0.766SS**  169165.3122.3-680000112.7
267Q31.9Very low35.2Very low172 Ų172124 Ų12480%0.80475%0.753SS**  trans-111.9149.8-163.4-71.5-177.440.600115.8
268T28.1Very low35Very low121 Ų121126.6 Ų126.674%0.74276%0.756SS**  trans49145134-390000122.8
269I30.3Very low34Very low159 Ų159129.9 Ų129.982%0.81576%0.762SS**  trans129140.7144.6-66.6-178.4000116.1
270A29.4Very low35.1Very low98 Ų98130.3 Ų130.381%0.8176%0.757SS**  trans84122.4162.200000121.3
271S32.8Very low35.1Very low109 Ų109130.7 Ų130.776%0.76276%0.758SS**  trans-104.1161.4152-172.30000108.2
272P49.8Very low35Very low127 Ų127134.7 Ų134.783%0.82577%0.767SS**  -143.2172.595.935.2-18.1000115.9
273N32.2Very low34.3Very low131 Ų131134.5 Ų134.570%0.70177%0.769SS**  trans-73.5165.8-177.4-161.513.8000113.7T275N273-T275 VanDerWaalsContact CG-N 3.35Å; N273-T275 PolarHBondContact ND2-N 3.46Å; N273-T275 PolarHBondContact OD1-N 2.91Å
274P42.1Very low34.1Very low116 Ų116135.2 Ų135.275%0.75377%0.768SS**  -148.6117.199.935.8-17.5000118
275T31.6Very low34.1Very low106 Ų106135.6 Ų135.665%0.6577%0.774SS**  52.5135.5126.2-27.90000122.8N273N273-T275 VanDerWaalsContact CG-N 3.35Å; N273-T275 PolarHBondContact ND2-N 3.46Å; N273-T275 PolarHBondContact OD1-N 2.91Å
276K29.8Very low33.4Very low166 Ų166136.9 Ų136.972%0.72278%0.78SS**  trans96.2146163.1-62.5-158.7148.7-72.40117
277D29.2Very low33.8Very low109 Ų109136.7 Ų136.758%0.58379%0.785SS**  cis-157.1162.6-7.1-118.35.3000114.3
278Q32.4Very low34.1Very low182 Ų182132.9 Ų132.985%0.8578%0.783SS**  trans54.2119.6153.8-74.3-176-9.800123.5
279E30.8Very low34.7Very low182 Ų182135.1 Ų135.185%0.8579%0.788SS**  trans-112.5-175.7143.3-129.7-156.8138.900107.2
280P54.9Low35Very low95 Ų95135.7 Ų135.762%0.61779%0.791SS**  cis-128.3-170.6-26.241.4-27.2000111.9
281L29.7Very low35.1Very low173 Ų173134.4 Ų134.491%0.90679%0.787SS**  trans-161.9156.7138.2-99.8-161.6000113.1
282L32.4Very low35.1Very low167 Ų167133.9 Ų133.987%0.87479%0.79SS**  trans-106161.8-176.1-68.5159000112.4
283S30.8Very low35.7Very low113 Ų113133.3 Ų133.379%0.7979%0.786SS**  153.5148.7118.9-165.80000114.9
284D32.3Very low35.8Very low144 Ų144135.1 Ų135.177%0.7780%0.795SS**  trans-57.9161.6-177.7-50.9-69.9000117.6
285C29.1Very low35.5Very low133 Ų133137.2 Ų137.290%0.89980%0.798SS**  -172151.5109.1-93.50000113.7
286T35.6Very low36.2Very low137 Ų137138.2 Ų138.284%0.8481%0.806SS**  trans-113.3153.2179.7450000113.4
287S35.1Very low36.4Very low131 Ų131139.8 Ų139.892%0.91681%0.813SS**  trans-171.4161156.3-85.30000111.6
288A38.7Very low37.7Very low92 Ų92139.5 Ų139.576%0.7682%0.817SS**  trans-153.3-166.9-168.200000114.2
289I39.4Very low37.9Very low167 Ų167137 Ų13786%0.85681%0.814SS**  trans81132.8177-46.6171.3000111.7
290I36.5Very low38Very low172 Ų172136 Ų13688%0.88281%0.81SS**  cis-131.316438.9-62.6163.8000109.6
291G32Very low37.2Very low70 Ų70138 Ų13872%0.72281%0.814SS**  cis171.8-159.32.400000112.1
292A33.3Very low37.4Very low99 Ų99137.5 Ų137.582%0.81881%0.812SS**  trans-159.7-164.7-17500000111.6
293P62.8Low37.9Very low114 Ų114137.1 Ų137.174%0.7481%0.81SS**  cis-134.8-170.3-24.538.6-19.5000114.1
294L32.6Very low38.1Very low169 Ų169138.7 Ų138.789%0.88582%0.815SS**  trans161.3160.6133.1-84.7171.7000114.5
295I36Very low39.3Very low161 Ų161138 Ų13883%0.82682%0.819SS**  trans-144.9134.5-161.5-62.9160.1000115
296P46.8Very low39.4Very low127 Ų127134.8 Ų134.883%0.82581%0.808SS**  trans-135.1166.3160.837.2-21000116.3
297K33Very low39.5Very low199 Ų199137.6 Ų137.687%0.86581%0.811SS**  trans-174.2158.1-172.2171.5165.2176.3178.50109.4
298P57.7Low39.5Very low103 Ų103135.1 Ų135.167%0.66980%0.799SS**  cis-135.1-133.714.743.5-21.3000115.3
299T35.5Very low39.3Very low128 Ų128136.4 Ų136.479%0.78580%0.802SS**  trans74.6160.9172.235.50000117.8
300H33.3Very low39.1Very low163 Ų163133.2 Ų133.276%0.75580%0.795SS**  cis-143.5-169.415.5-165.6-108.7000114.5
301L39Very low38.9Very low137 Ų137133.1 Ų133.172%0.71780%0.795SS**  trans-85.6154.9-177.7-56.1172.3000116
302N33.5Very low39Very low162 Ų162135.1 Ų135.187%0.86680%0.798SS**  -167.8173.7111.8-130.1-18.2000115.3
303L42.4Very low39.8Very low159 Ų159136.8 Ų136.883%0.83280%0.8SS**  trans-137.5150.5-172.7-70.9162.6000114.1
304T34.9Very low38.3Very low145 Ų145136.7 Ų136.789%0.8980%0.803SS**  trans-159.8138.4161.4-80000115.3
305P57.3Low39.3Very low130 Ų130134.1 Ų134.184%0.84480%0.796SS**  trans-133.4172.8173.742.4-29.1000117
306G32.1Very low39.2Very low65 Ų65138.2 Ų138.267%0.6780%0.801SS**  trans156139.5169.500000112.1
307H37.2Very low38.5Very low196 Ų196136.2 Ų136.291%0.90780%0.795SS**  cis72.7134.136.4-65-67.9000115.2
308A35.4Very low38.8Very low80 Ų80132.3 Ų132.366%0.66179%0.788SS**  cis-168.1165-11.500000113.1
309S35.4Very low38Very low119 Ų119135.6 Ų135.683%0.83280%0.795SS**  trans58.4141.6150.3-57.30000124.3
310S33.8Very low38.1Very low100 Ų100134.2 Ų134.270%0.69979%0.791SS**  138.7118116.1-160.90000119.2
311L32.3Very low38.8Very low169 Ų169132 Ų13289%0.88579%0.79SS**  trans61.5159.4144-64.9173.6000123.8
312S33.9Very low39.1Very low112 Ų112131.4 Ų131.478%0.78380%0.795SS**  trans-120.2174-178.3-43.60000112.2
313P50.5Low39.5Very low134 Ų134132.8 Ų132.887%0.8779%0.793SS**  -145.4177.7115.937.1-21.2000116.5
314S32.6Very low39.5Very low113 Ų113134.7 Ų134.779%0.7980%0.798SS**  trans-96.4-164.3-178-1440000111.2
315P53.6Low39.8Very low114 Ų114133.3 Ų133.374%0.7479%0.789SS**  cis-141.4176.8-5.843.2-25.6000117.2
316R31.9Very low39.2Very low247 Ų247133.3 Ų133.393%0.93279%0.786SS**  -171.2145.8121-162.1161.6-176.3153.72.6112.3
317A33.6Very low39.5Very low86 Ų86139.5 Ų139.571%0.71180%0.795SS**  trans-94.3173.2176.300000111.6
318T37.9Very low39.5Very low117 Ų117135.2 Ų135.272%0.71879%0.787SS**  cis-100.3-163.229.252.30000112.9
319Q41.2Very low40.2Very low171 Ų171137.5 Ų137.580%0.79980%0.795SS**  cis-152.8-150.79-151.7143.6-7700113.4
320S39Very low40.8Very low100 Ų100137.8 Ų137.870%0.69980%0.796SS**  trans-154.4172.7-176.264.60000108.3
321P47.3Very low41.3Very low115 Ų115139.9 Ų139.975%0.74780%0.804SS**  cis-133.5-160.218.146.4-28.6000112.9
322P45Very low41.7Very low125 Ų125139 Ų13981%0.81280%0.8SS**  cis-117-162-14.141.3-26.6000113
323K43.3Very low42Very low191 Ų191140.2 Ų140.283%0.8380%0.803SS**  trans-113.7148.3-176.5-56.7175.1-178.3177.20112.4
324Q42.4Very low41.4Very low199 Ų199142.9 Ų142.993%0.9380%0.801SS**  trans-131.1163.1137.6-80.6-162.3-7.100109.4
325T40.2Very low42.4Very low116 Ų116145.5 Ų145.571%0.71280%0.801SS**  trans-123.3144.1-163.448.80000112.8
326V44.5Very low41.9Very low130 Ų130146.1 Ų146.179%0.78881%0.805SS**  trans-69.1139.3180-179.20000111.9
327F37.8Very low42.4Very low195 Ų195136.9 Ų136.986%0.85579%0.787SS**  trans-128.8147.7149.4-88.7-85.1000108.8
328S38.3Very low43Very low106 Ų106139 Ų13974%0.74179%0.793SS**  trans-77.3141.1-165.4-50.40000114
329P50.8Low43Very low128 Ų128136.9 Ų136.983%0.83179%0.788SS**  trans-77.5137.3156.533.1-31000109.9
330C48.1Very low43Very low126 Ų126134.4 Ų134.485%0.85179%0.788SS**  trans-146.299.6168.2-168.10000108.7
331V42.8Very low43.2Very low143 Ų143140.8 Ų140.887%0.86780%0.797SS**  trans-146.6139.6169.8-174.60000106.2
332D40.7Very low42.7Very low150 Ų150144.3 Ų144.380%0.80280%0.804SS**  trans-66.5152.9-169.9-71.2-75.1000115.5
333V41.3Very low42.8Very low138 Ų138146.2 Ų146.284%0.83681%0.807SS**  trans-84125.3160.2173.50000107.8
334F38.3Very low42.5Very low191 Ų191140.4 Ų140.484%0.83880%0.801SS**  trans-118126.7170.4-132.1-88.6000109.8
335E51.7Low42.8Very low168 Ų168138.7 Ų138.779%0.78580%0.798SS**  trans-111.8110-175.6-176.7-177.6149.400109.9G337E335-G337 PolarHBondContact O-N 2.88Å; E335-G337 VanDerWaalsContact O-N 3.17Å
336P43.7Very low43.1Very low126 Ų126141.7 Ų141.782%0.81880%0.804SS**  trans-80.893.3173.7-11.329.1000110.6
337G42.8Very low43.3Very low54 Ų54145 Ų14556%0.55781%0.811SS**  trans-62.7161.4161.900000111.9E335E335-G337 PolarHBondContact O-N 2.88Å; E335-G337 VanDerWaalsContact O-N 3.17Å
338P45.3Very low43.6Very low129 Ų129144.1 Ų144.184%0.83881%0.81SS**  trans-73.2133.1-164.628.7-35.5000113.5
339A39.7Very low44Very low73 Ų73144.2 Ų144.260%0.60382%0.816SS**  trans-84113.4158.900000108.9
340C41.2Very low44Very low120 Ų120142.7 Ų142.781%0.81182%0.815SS**  trans-68.8139.5161.5-63.60000108.8
341W42.5Very low43.9Very low233 Ų233140.1 Ų140.188%0.88381%0.809SS**  trans-119.9126.6164.5-60.284.8000105.9
342E37.1Very low43.8Very low190 Ų190140.7 Ų140.789%0.88881%0.808SS**  trans-76.6152.8176.6-68.6166.898.600109.4G344E342-G344 PolarHBondContact O-N 2.95Å
343D45.6Very low44Very low165 Ų165143.3 Ų143.388%0.88281%0.806SS**  trans-61.3133.7164.8-77.6-60.1000108.8
344G38.5Very low44.3Very low68 Ų68143.2 Ų143.270%0.70180%0.797SS**  trans-134.9105.4178.400000109.6E342 E346E342-G344 PolarHBondContact O-N 2.95Å; G344-E346 PolarHBondContact O-N 3.43Å
345D48Very low45Very low163 Ų163142.5 Ų142.587%0.87280%0.796SS**  trans-76.7104.3-178.1-42.2-84000110.4
346E47.2Very low45Very low180 Ų180141.9 Ų141.984%0.84180%0.798SS**  trans-109.3100169.7-70.3-162161.900111G344 Q348G344-E346 PolarHBondContact O-N 3.43Å; E346-Q348 PolarHBondContact O-N 2.88Å
347E48Very low45.5Very low198 Ų198145 Ų14593%0.92580%0.802SS**  trans-63.4124.9161.9-65.5-174124.800109.6
348Q43.4Very low45.8Very low178 Ų178149.7 Ų149.783%0.83281%0.814SS**  trans-122.490.8167-169.1139.7110.100110.8E346 A350E346-Q348 PolarHBondContact O-N 2.88Å; Q348-A350 PolarHBondContact O-N 3.46Å
349A47.8Very low46.1Very low107 Ų107151.3 Ų151.388%0.88482%0.816SS**  trans-69.3119.8166.100000109.9
350A50.7Low46.7Very low97 Ų97155 Ų15580%0.80283%0.825SS**  trans-132.7111.8163.500000107.2Q348Q348-A350 PolarHBondContact O-N 3.46Å
351G44.8Very low47.3Very low71 Ų71156.9 Ų156.973%0.73282%0.824SS**  trans-99.4-179.5177.800000112.8
352D40.4Very low47.8Very low155 Ų155149.7 Ų149.783%0.82982%0.822SS**  trans74.9117.5164-64.8-5.1000119.3
353R46.8Very low48.3Very low205 Ų205145 Ų14577%0.77482%0.816SS**  trans78152.7148.1-59.8178.597.275.622.7118.7
354E45.8Very low48.4Very low136 Ų136142 Ų14264%0.63680%0.8SS**  cis-111173.7-2.1-63.8-87.150.500111.5
355E54.7Low49Very low176 Ų176147.9 Ų147.982%0.82281%0.809SS**  trans-81138.8157-62.7157.4144.100108.2
356D50.5Low49.2Very low155 Ų155144.1 Ų144.183%0.82980%0.795SS**  trans-146115.9161.8-87.5-47.3000108
357E55.1Low49.4Very low192 Ų192143.2 Ų143.290%0.89779%0.791SS**  trans-90.6122.6169.9-63177.5136.200108.3
358D49.7Very low49.1Very low153 Ų153143.6 Ų143.682%0.81879%0.786SS**  trans-152.390.1169.1-104.9-30.9000109.6D360D358-D360 PolarHBondContact O-N 2.8Å
359D50.2Low49.4Very low162 Ų162145.9 Ų145.987%0.86679%0.787SS**  trans-73.975.4163.8-82.8-55.3000109M361D359-M361 PolarHBondContact O-N 2.03Å
360D52.8Low49.3Very low150 Ų150148.9 Ų148.980%0.80278%0.782SS**  trans-62.8107177.4-172.128.1000110.3D358D358-D360 PolarHBondContact O-N 2.8Å
361M53.8Low49.2Very low160 Ų160153.9 Ų153.979%0.78878%0.78SS**  trans-55.8148.9-174.9-73.1-79.8-179.200111.8D359 A363D359-M361 PolarHBondContact O-N 2.03Å; M361-A363 PolarHBondContact O-N 2.95Å
362G52.6Low50Low82 Ų82161.7 Ų161.785%0.84579%0.788SS**  trans-58.994.6-172.100000114.6D364G362-D364 PolarHBondContact O-N 3.38Å
363A47.4Very low50.4Low91 Ų91161.1 Ų161.175%0.75278%0.784SS**  trans-59.6118.1172.400000110.8M361M361-A363 PolarHBondContact O-N 2.95Å
364D47.3Very low50.4Low102 Ų102158.1 Ų158.155%0.54579%0.789SS.*  trans-75.2135.9-17271.5-71.6000112.2G362 S366G362-D364 PolarHBondContact O-N 3.38Å; D364-S366 PolarHBondContact O-N 3.25Å; D364-S366 WeakPolarHBondContact OD2-CB 3.18Å; D364-S366 PolarHBondContact OD2-N 2.03Å; D364-S366 PolarHBondContact OD2-OG 2.03Å
365E51.4Low51.1Low192 Ų192155.2 Ų155.290%0.89780%0.795SS**THydrogen-bonded Turntrans-73.213-178.8-64.3-161.9137.500113.8
366S52.3Low51.2Low84 Ų84154.2 Ų154.259%0.58780%0.795SS**THydrogen-bonded Turntrans-79.4-36.4-173.588.50000113.8D364 Y368D364-S366 PolarHBondContact O-N 3.25Å; D364-S366 WeakPolarHBondContact OD2-CB 3.18Å; D364-S366 PolarHBondContact OD2-N 2.03Å; D364-S366 PolarHBondContact OD2-OG 2.03Å; S366-Y368 PolarHBondContact O-N 2.91Å; S366-Y368 VanDerWaalsContact O-N 3.08Å
367Q51.5Low51.7Low161 Ų161151.9 Ų151.975%0.75279%0.791SS**THydrogen-bonded Turntrans-66.2-21.1-164.1-156.3-176.566.200114.3R369Q367-R369 PolarHBondContact O-N 2.81Å
368Y42.9Very low51.9Low206 Ų206146.9 Ų146.981%0.80879%0.791SS**THydrogen-bonded Turntrans-87.811.9-170.4-80.3-76.6000116.3S366 H370S366-Y368 PolarHBondContact O-N 2.91Å; S366-Y368 VanDerWaalsContact O-N 3.08Å; Y368-H370 PolarHBondContact O-N 3.26Å
369R48.2Very low52Low226 Ų226145.8 Ų145.885%0.85378%0.784SS**SBendtrans-94.488.8180-69.6-166174.8-171.91.2114.4Q367Q367-R369 PolarHBondContact O-N 2.81Å
370H47.3Very low52.4Low171 Ų171146.2 Ų146.279%0.79278%0.78SS**  trans61.395154.5-84.370.8000118.1Y368Y368-H370 PolarHBondContact O-N 3.26Å
371R48.4Very low52.3Low202 Ų202144.2 Ų144.276%0.76277%0.773SS**  trans-122.668.9151.6-148.8170.8-167.4-166.2-1.2112.1L373R371-L373 HydrophobicContact CG-CD1 4.03Å; R371-L373 PolarHBondContact O-N 3.08Å
372R61.3Low51.6Low235 Ų235141.7 Ų141.789%0.88777%0.77SS**  trans-82.889.7162.2-82.4-170.3170.3-147.4-1.8109.3
373L47.7Very low51.5Low142 Ų142148.8 Ų148.874%0.74377%0.772SS**  trans-117.4144.7157.7-82.185.3000108.8R371R371-L373 HydrophobicContact CG-CD1 4.03Å; R371-L373 PolarHBondContact O-N 3.08Å
374T47.2Very low51.1Low143 Ų143150.5 Ų150.588%0.87778%0.777SS**  trans-64159.117038.20000111.1
375G61.5Low50.6Low74 Ų74155.7 Ų155.776%0.76379%0.789SS**SBendtrans-64.9168-167.700000116.2
376D56.8Low50.3Low156 Ų156152.6 Ų152.683%0.83478%0.783SS**  trans6377.4175-16418.1000117.4
377S59.6Low49.7Very low106 Ų106157.3 Ų157.374%0.74180%0.795SS**  trans-170.3113.1131.3-840000110.5I379S377-I379 PolarHBondContact O-N 3.01Å; S377-I379 VanDerWaalsContact O-N 3.14Å
378G59.9Low49.3Very low87 Ų87157.7 Ų157.790%0.89780%0.797SS**  trans-79.886.3173.900000112
379I51.7Low49.2Very low130 Ų130156.1 Ų156.167%0.66780%0.797SS**  trans-126.3124.8155.964.2168.8000110.8S377S377-I379 PolarHBondContact O-N 3.01Å; S377-I379 VanDerWaalsContact O-N 3.14Å
380E59.6Low48.8Very low170 Ų170154.4 Ų154.479%0.79480%0.799SS**  trans-99.4112.5171.160.7-157.1151.900109.2C382E380-C382 PolarHBondContact O-N 2.8Å
381V49.9Very low48.3Very low108 Ų108153.6 Ų153.666%0.65580%0.8SS**  trans-92.392175.6-178.80000107.1R383V381-R383 PolarHBondContact O-N 3.46Å; V381-R383 VanDerWaalsContact O-N 3.17Å
382C39Very low47.9Very low107 Ų107153 Ų15372%0.72381%0.806SS**  trans-55.7119.7170.7-62.20000109.2E380E380-C382 PolarHBondContact O-N 2.8Å
383R50.6Low46.8Very low231 Ų231149.4 Ų149.487%0.87280%0.804SS**  trans-105.996.1164.5-79-172168.8-175.8-4.1107.7V381 R385V381-R383 PolarHBondContact O-N 3.46Å; V381-R383 VanDerWaalsContact O-N 3.17Å; R383-R385 PolarHBondContact O-N 2.98Å
384C38.8Very low46.5Very low127 Ų127152.1 Ų152.186%0.85881%0.813SS**PPolyproline II helixtrans-58.4121.7163.1-50.20000107.4
385R37.4Very low46.3Very low212 Ų212154.8 Ų154.880%0.882%0.816SS**PPolyproline II helixtrans-87137.7160.6-176174171.6886.6105.8R383 E387R383-R385 PolarHBondContact O-N 2.98Å; R385-E387 PolarHBondContact O-N 3.21Å
386V43.8Very low45.3Very low127 Ų127160.6 Ų160.677%0.7782%0.823SS**PPolyproline II helixtrans-69.7122.9165.5173.10000106.1
387E40.6Very low44.4Very low182 Ų182162.5 Ų162.585%0.8583%0.827SS**PPolyproline II helixtrans-72.5125.5167.8-72.8167.2171.700106.9R385R385-E387 PolarHBondContact O-N 3.21Å
388E43.1Very low43.2Very low169 Ų169167 Ų16779%0.7984%0.836SS**  trans-106.8106176.9-163.7161.3-148.700102.5E390E388-E390 PolarHBondContact O-N 2.61Å
389E41.8Very low42.1Very low174 Ų174171.2 Ų171.281%0.81383%0.833SS**  trans-68.4120-173.6-66.1175.2144.900108.3
390E38.2Very low41.4Very low189 Ų189172.9 Ų172.988%0.88384%0.835SS**  trans-89.6101.7172.6-69.7-17514900107.6E388E388-E390 PolarHBondContact O-N 2.61Å
391D38.5Very low40.3Very low155 Ų155172 Ų17283%0.82984%0.836SS**  trans-62.6138179.4-67.4-59.9000112.1
392E39.2Very low39.7Very low188 Ų188169.9 Ų169.988%0.87984%0.836SS**  trans-89.9125.3176.1-67.3-171.9143.800112.3
393D38.4Very low39.5Very low160 Ų160171.7 Ų171.786%0.85684%0.838SS**  trans12.6111159-58.9-25.3000120.6
394E41.6Very low39Very low199 Ų199166.7 Ų166.793%0.9383%0.834SS**  trans-127115.2147.6-74.3-164.216100111.2
395E43.1Very low38.7Very low200 Ų200167.1 Ų167.194%0.93583%0.828SS**  trans-95.193.1169.3-73.6-168.8150.100110.9
396E39.3Very low38.9Very low196 Ų196161.8 Ų161.892%0.91682%0.818SS**  trans-135.4162.7160.4-75.9-153.4172.400112.7
397E39.3Very low38.5Very low195 Ų195163.1 Ų163.191%0.91182%0.816SS**  trans-84.1133.9-159.3-56.6-174.1146.700114.7E399E397-E399 PolarHBondContact O-N 2.79Å
398E34Very low38.5Very low200 Ų200161 Ų16194%0.93581%0.81SS**  trans-72.9106.6167.8-83.6-159.8168.500112.4
399E36.4Very low38.5Very low176 Ų176158.5 Ų158.582%0.82281%0.811SS**  trans-128.5111.7138.2-103.5-151.1-151.900111.9E397E397-E399 PolarHBondContact O-N 2.79Å
400K37.7Very low38.2Very low165 Ų165156 Ų15672%0.71781%0.808SS**  90.8109.2123.4-171.9-175.5170.6-165.40121.3
401D35.4Very low38.1Very low152 Ų152153.8 Ų153.881%0.81380%0.802SS**  trans81.6150.2132.4-158.819.1000120.3
402G37.3Very low37.8Very low63 Ų63152.9 Ų152.965%0.64981%0.806SS**  trans97.698.8-170.800000112.3
403D34.5Very low38.2Very low145 Ų145149.6 Ų149.678%0.77580%0.801SS**  cis68.19845.2-164.950.6000115.1
404T39.7Very low38Very low126 Ų126146.7 Ų146.777%0.77380%0.8SS**  trans161.7120.1142.832.30000107.2
405D34.1Very low37.5Very low137 Ų137148.5 Ų148.573%0.73380%0.798SS**  cis90.411044.4-161.850.7000114
406V40.3Very low37Very low100 Ų100144.7 Ų144.761%0.60679%0.793SS**  trans93.9123.6139.61340000123.6
407H36.1Very low36.8Very low154 Ų154144.4 Ų144.471%0.71379%0.792SS**  trans55.1104.7149.8-63.2-49.9000123.8
408D40.4Very low36.4Very low138 Ų138143.8 Ų143.874%0.73879%0.791SS**  22.6116.6100-175.321.1000117.6
409S42.3Very low36.5Very low116 Ų116140 Ų14081%0.81179%0.786SS**  trans-155.8133.1158.9-84.40000113.7
410V36.2Very low36.2Very low122 Ų122138.2 Ų138.274%0.73979%0.788SS**  trans-69.9152.3-177.5-71.70000115.6
411D37.2Very low35.8Very low143 Ų143133.5 Ų133.577%0.76579%0.786SS**  trans37.9125.8151.7-85-71.7000122
412C31Very low35.8Very low135 Ų135134 Ų13491%0.91279%0.789SS**  trans-140.4107.9155.8-930000111.4
413P47.3Very low35.5Very low120 Ų120139.5 Ų139.578%0.77980%0.797SS**  trans-101.5141.4-167.436.3-35000115.7
414A34.4Very low35.5Very low99 Ų99139.6 Ų139.682%0.81880%0.797SS**  trans-162.5156.216100000111.5
415R31Very low35.2Very low236 Ų236139.6 Ų139.689%0.89180%0.797SS**  cis-178.997.7-25.1174-161.7166.6134.8-2.1109.2
416S32.7Very low35.6Very low120 Ų120138.5 Ų138.584%0.83980%0.798SS**  trans-174.4134.4140.850.10000113.4
417Q35.4Very low34.8Very low191 Ų191140.1 Ų140.189%0.89381%0.812SS**  trans-63157.9167.7-61.7160.50.800109.5
418M32Very low34.9Very low182 Ų182138.7 Ų138.790%0.89781%0.809SS**  cis-160148.740.848152.2164.100114
419S34.8Very low34.7Very low119 Ų119137.9 Ų137.983%0.83281%0.812SS**  trans-171.392.5137.6-168.60000110
420T29.9Very low34.1Very low140 Ų140137.1 Ų137.186%0.85981%0.806SS**  trans-76.7143.516045.10000108.8
421G30.2Very low33.9Very low65 Ų65138 Ų13867%0.6781%0.812SS**  cis125.1107.66.600000110.5
422D35.6Very low33.6Very low163 Ų163136.5 Ų136.587%0.87281%0.813SS**  trans-169.999.9170.1-85.4-38.8000103.3
423E31.3Very low33.6Very low178 Ų178136.6 Ų136.683%0.83281%0.809SS**  61.5110.457.1-169.9163.2117.500114.5
424L34.2Very low32.9Very low148 Ų148137.2 Ų137.278%0.77581%0.811SS**  trans-168.5101.5134.7-100-168.2000112.9
425T33.1Very low32.7Very low125 Ų125138.2 Ų138.277%0.76781%0.807SS**  trans63.8158.2141.744.10000122.1
426P41.4Very low32.9Very low115 Ų115131.3 Ų131.375%0.74780%0.795SS**  trans-134.4-179.9-142.644.7-29.2000116.9
427C25.3Very low33.2Very low134 Ų134131.9 Ų131.991%0.90579%0.794SS**  trans-128.2113156.3-80.90000111.1
428N36.6Very low34.3Very low123 Ų123127.5 Ų127.566%0.65878%0.782SS**  trans-86.4158.2163-166.814.5000108.4S430N428-S430 PolarHBondContact ND2-OG 3Å; N428-S430 PolarHBondContact OD1-N 3.35Å
429P36.2Very low34.8Very low121 Ų121127.6 Ų127.679%0.78678%0.78SS**  -145.6148.29837.2-21.9000115.2
430S31.3Very low34.9Very low100 Ų100131.3 Ų131.370%0.69978%0.784SS**  trans-82.6152.5175.2-49.10000112.8N428N428-S430 PolarHBondContact ND2-OG 3Å; N428-S430 PolarHBondContact OD1-N 3.35Å
431T31Very low35.6Very low141 Ų141132.7 Ų132.787%0.86578%0.778SS**  trans-75.4127.7-176.5-490000113.7
432S31.3Very low36Very low112 Ų112136.5 Ų136.578%0.78379%0.788SS**  trans-156.1108.3151.264.40000111.2
433V31.2Very low36.4Very low137 Ų137134.5 Ų134.583%0.8378%0.776SS**  trans-140.6127.4172.5178.10000110.1
434T32.5Very low36.6Very low133 Ų133133.6 Ų133.682%0.81678%0.775SS**  trans-142.2132.8161.3-56.70000106.9
435T30.3Very low37.1Very low120 Ų120132 Ų13274%0.73677%0.771SS**  trans160.2128.8133.8-68.80000113.2
436S34.2Very low37.4Very low90 Ų90134.8 Ų134.863%0.62978%0.778SS**  trans63.4114.5152.174.30000123.4
437T39.3Very low37.6Very low133 Ų133137.5 Ų137.582%0.81678%0.781SS**  80.7147.1125.353.50000121.4
438P58.3Low38.7Very low99 Ų99136.8 Ų136.864%0.64377%0.772SS**  trans-141.4-165.1-139.545-24.6000115.4
439E42.3Very low38.8Very low184 Ų184140.9 Ų140.986%0.8680%0.801SS**  trans64.2119.1155-70.8170.1-115.300119.6
440E38.4Very low38.9Very low197 Ų197141.9 Ų141.992%0.92180%0.802SS**  -148.5164.7104.5-167.7156.1-160.300110.4
441K42.8Very low39.3Very low169 Ų169144.1 Ų144.174%0.73581%0.807SS**  trans-124.7120.3-165.6163-158.6170.5-172.90110.3
442V38.8Very low39.8Very low144 Ų144144.2 Ų144.287%0.87380%0.804SS**  trans-133140.6163-176.10000109.7
443I44.1Very low40.3Very low121 Ų121146.1 Ų146.162%0.62181%0.806SS**  trans-118.7144.4179.8-57.3160.7000106.4
444I36.4Very low40.8Very low159 Ų159146.7 Ų146.782%0.81580%0.804SS**  trans-179.9129.5136.5-95153.7000112.2
445V44.3Very low41.4Very low115 Ų115147.6 Ų147.670%0.69780%0.803SS**  trans8.5132148-169.70000119.2
446M39.2Very low42.2Very low184 Ų184149.6 Ų149.691%0.90681%0.808SS**  trans-131.3111.9133.1-80.8-179.566.300109.5
447E45.8Very low42.8Very low171 Ų171154.2 Ų154.280%0.79982%0.822SS**  trans-82.6174.5152.5-163.8169164.500108.3
448T49.6Very low43.1Very low119 Ų119155.9 Ų155.973%0.7382%0.822SS**  trans-81151.2-156.356.40000116.6
449V37.1Very low41.7Very low209 Ų209161.1 Ų161.1100%1.26784%0.838SS**  trans80.90168.2-167.70000115.3

Retrieved 449 of 449 residues in 373.3 ms (Link to these results)