A0A3Q0KT90_SCHMA Loading...

Cation-transporting ATPase 13A3

AlphaFold DB (A0A5K4EX77), UniProt , Accession A0A3Q0KT90, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,701 aa.

>A0A3Q0KT90_SCHMA|A0A3Q0KT90
MSQGLGTPVALELFCKMLETLGERPINRIVLLSWSRSDILSLMLSIMSLLLISSSVTSYRYSSSYSWISIAGDLLFVFLSSSLLFLTFITRYKRIISSCSKFKTFLRSFVAFFRNMNPNMLSYSPCLNGLSNEMVGLDTHLTIRDGKIVVLPAVLLVPGDVIIIKPGQTIFAFCKQINENHIHLPGDVFVPHKYSCNPVPTSFTSIEKSDESMVAVVIHSPLVSYLEIAFRSRVENGYTFQPLAYKVVDTAVWVSLIIKCSITLIFLTSIFIGALPIGDLSHQFYRLFIWFAHTFGVVIASSSFSLYFIWMVATAVVTFHFQNVLSNAHVHFKLTDNNDFKSTHVFCQPNISKVSKSNTLTFHSFISNLRSFGFMFYFQTDVDMENIVLTLGTLSSVCCVNQEGVISQSLPTPEKMFFFHRRHHNHHHQESFGTNKSQSVVYKSNLKAEEHLDHQNSKAGQLNTSAFMRTEKQCAEINQGELYKTQSSIQNQLPTNCDPNETPGFQRSAVFPLGSCVAPVVLDLRTDFYRPFLPHFEKPRWDRFLSSLKPIGLSILLNNCHSAIAKQRIGFFEIVNATQKYFDSSSCTTALPLTFCLCGLASQIGFRDGAVNGFGTHGCLGAYSICSAAYASNSNATDMKSKLSSEEILPTKDNTNNNRIHLAYCFSSVFSDPNIQGGYQLLSQGTGDILASLCSDIWDGRDIVPLSDRERELILGFHNRHLSSAYCIGFAYSPLVDKIEESYRLLLGNFSSPSDIFMLRLPGSDDVSPVIRRKVLEHLVCSRSYSNRSPLSRGADNINSTSSIYNRIVHDSDISRSQAISKPNRPHDYRLKFIKNMKNFSFNSFSKYWQHRDRRKEGCDKKEETYSNDKLLKHSPSKKSDRFSKKHRIEHNRISSNFGEYASNCLMLNEFPNANFVSETDDHCKSNADSLDHDEKSNVRINQKEVDNILNNQIFLGLISMQYQANPQVVKSIKQLHQACIRFVHFSRENELRSRVFAERLGLECGWNCHISLKTPNSVSNRKSVDLPKEFHKSNKFSFGTDVFVTERKHFDGSHQTKRWSSSPALRTSYPSKFGSTSDPQFFQSTPFPEYCEANYSKSILPCLNFRQIDSNFQSSCSHDHINNNFTHAVSTSYLQQIRSNEIGPKESFGSYHLSSSSNSTSSVSLSVDGQSDNSEELKLSELLVRNKSRLPCGIDSIRPHLENVDNVPLQVSLFTDCTPKAVSEMIQIMKEYGDTVCLIGSCYSLINYVLFQQSDIAIAVKPILPYSTCQFANTKLIVSNQSVDLLTSDLQSEGFSCSEKNLTSTHQESNTTNFNTFDIAAHLIHLVTPCLLDIEKTGFHVYDLIVEAHASVNNLYHCLVFSSTTPLAVGLLQLLLLIIGLPTRPVFLIDVRSNVQQGELIWLPVEPFRSVIFGSSEIFSNLSKTDKHTIINLLQYSSDWNLEPSFSIGQLFWLLFIVIPSLTLSLIDRQVERNQPLREPPIKRNKLFTKKRCLRFTLVTCSRFIPSLLVCLFCEMGHFLWAQQLEDCHQSFYNIYTNKFNEANPLINDSEAYTKTLSSSYARQVSCLSKLSILICSLKDLIFYQLIMYLIIISFSYANYGQRVWKFRYSTNPSWCIVSSLIFILHSVYMIIRLCIVDSSLRLTSWHILSPIISAFGFIWCILLLFINDLISWREKRAILTEHRLSRLYFNTKLGMYSPV
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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
1M30.2Very low39.8Very low165 Ų16588.5 Ų88.581%0.81354%0.54SS*.  0-10.90-67-168.375.800114.5R114M1-R114 HydrophobicContact CE-CB 4.03Å; M1-R114 HydrophobicContact CE-CG 4.43Å; M1-R114 HydrophobicContact SD-CB 3.97Å; M1-R114 HydrophobicContact SD-CG 3.71Å
2S24.5Very low40.8Very low96 Ų9686.4 Ų86.467%0.67152%0.52SS*.  trans-97.1-2.7-169.841.30000116.7
3Q28.3Very low41.5Very low178 Ų17881.5 Ų81.583%0.83249%0.489SS*.SBendtrans-145.260.3-165.7-67.8-178.3-43.200113.5
4G34.8Very low42.4Very low42 Ų4281.9 Ų81.943%0.43348%0.481SS..SBendtrans166.91.1168.400000120.3
5L34.3Very low43.1Very low83 Ų8380.6 Ų80.644%0.43548%0.477SS..SBendtrans-131.8150.6149.3-82.7100.7000108T7 L121L5-T7 PolarHBondContact O-N 3.36Å; L5-L121 HydrophobicContact CD1-CD1 3.99Å
6G41.7Very low43.6Very low43 Ų4379.1 Ų79.144%0.44346%0.463SS..  trans-54.9111.4-17000000113.2V9G6-V9 WeakPolarHBondContact O-CB 3.25Å; G6-V9 PolarHBondContact O-N 2.75Å
7T47.3Very low44Very low95 Ų9575.4 Ų75.458%0.58344%0.44SS*.Hα-helixtrans-53.6-37.3176.347.30000115.2L5 V9 L11L5-T7 PolarHBondContact O-N 3.36Å; T7-V9 PolarHBondContact O-N 3.47Å; T7-L11 VanDerWaalsContact O-CB 3.32Å; T7-L11 WeakPolarHBondContact O-CB 3.31Å; T7-L11 PolarHBondContact O-N 3.5Å
8P50.6Low44.4Very low83 Ų8376.1 Ų76.154%0.53944%0.441SS..Hα-helixtrans-65.6-24.6176.124.8-34.5000113E12P8-E12 WeakPolarHBondContact O-CB 3.46Å; P8-E12 PolarHBondContact O-N 3.43Å
9V44.5Very low44.8Very low17 Ų1779.2 Ų79.210%0.10345%0.451CS..Hα-helixtrans-82.7-49.7-167.7171.80000111.7G6 T7 L11 E12 L13 V157G6-V9 WeakPolarHBondContact O-CB 3.25Å; G6-V9 PolarHBondContact O-N 2.75Å; T7-V9 PolarHBondContact O-N 3.47Å; V9-L11 PolarHBondContact O-N 3.37Å; V9-E12 PolarHBondContact O-N 2.75Å; V9-L13 HydrophobicContact CG1-CD1 4.16Å; V9-L13 WeakPolarHBondContact O-CB 3.3Å; V9-L13 PolarHBondContact O-N 3.15Å; V9-V157 HydrophobicContact CB-CG1 3.95Å; V9-V157 HydrophobicContact CG1-CB 4.1Å; V9-V157 HydrophobicContact CG1-CG1 3.5Å; V9-V157 HydrophobicContact CG1-CG2 3.66Å; V9-V157 HydrophobicContact CG2-CG1 3.36Å
10A50.2Low44.9Very low63 Ų6379.7 Ų79.752%0.52146%0.456SS..Hα-helixtrans-61.5-33172.800000110.8F14A10-F14 WeakPolarHBondContact O-CB 3.2Å; A10-F14 PolarHBondContact O-N 2.92Å; A10-F14 VanDerWaalsContact O-N 3.08Å
11L51.7Low45Very low109 Ų10979.9 Ų79.957%0.57146%0.455SS*.Hα-helixtrans-73.2-40.8175.3-163.671.7000112.4T7 V9 F14 C15T7-L11 VanDerWaalsContact O-CB 3.32Å; T7-L11 WeakPolarHBondContact O-CB 3.31Å; T7-L11 PolarHBondContact O-N 3.5Å; V9-L11 PolarHBondContact O-N 3.37Å; L11-F14 PolarHBondContact O-N 3.14Å; L11-C15 VanDerWaalsContact O-CB 3.25Å; L11-C15 WeakPolarHBondContact O-CB 3.24Å; L11-C15 PolarHBondContact O-N 3.29Å; L11-C15 PolarHBondContact O-SG 3.3Å
12E51.5Low45.7Very low63 Ų6375 Ų7529%0.29445%0.447SS..Hα-helixtrans-68.4-42.8177.3-172.7-170.9162.900111.3P8 V9 F14 C15 K16P8-E12 WeakPolarHBondContact O-CB 3.46Å; P8-E12 PolarHBondContact O-N 3.43Å; V9-E12 PolarHBondContact O-N 2.75Å; E12-F14 VanDerWaalsContact C-N 3.32Å; E12-F14 PolarHBondContact O-N 3.33Å; E12-C15 PolarHBondContact O-N 3.48Å; E12-K16 HydrophobicContact CG-CD 4.08Å; E12-K16 HydrophobicContact CG-CG 4.39Å; E12-K16 WeakPolarHBondContact O-CB 3.41Å; E12-K16 PolarHBondContact O-N 3.44Å; E12-K16 VanDerWaalsContact OE1-CE 3.27Å; E12-K16 WeakPolarHBondContact OE1-CE 3.43Å; E12-K16 IonicContact OE1-NZ 2.96Å; E12-K16 PolarHBondContact OE1-NZ 3.42Å
13L50Low46.6Very low23 Ų2377.4 Ų77.412%0.1245%0.448CS..Hα-helixtrans-55.7-47.8169.9-99.7142.6000110.9V9 M17 L222 V223V9-L13 HydrophobicContact CG1-CD1 4.16Å; V9-L13 WeakPolarHBondContact O-CB 3.3Å; V9-L13 PolarHBondContact O-N 3.15Å; L13-M17 WeakPolarHBondContact O-CB 3.48Å; L13-M17 PolarHBondContact O-N 3.41Å; L13-L222 HydrophobicContact CD2-CD2 3.75Å; L13-V223 HydrophobicContact CD2-CG2 3.47Å; L13-V223 VanDerWaalsContact CD2-CG2 3.47Å; L13-V223 HydrophobicContact CG-CG2 3.67Å
14F53.6Low47.3Very low87 Ų8778.4 Ų78.438%0.38244%0.444SS..Hα-helixtrans-67.4-39.9179.6-167.2-108.1000112.3A10 L11 E12 M17 L18A10-F14 WeakPolarHBondContact O-CB 3.2Å; A10-F14 PolarHBondContact O-N 2.92Å; A10-F14 VanDerWaalsContact O-N 3.08Å; L11-F14 PolarHBondContact O-N 3.14Å; E12-F14 VanDerWaalsContact C-N 3.32Å; E12-F14 PolarHBondContact O-N 3.33Å; F14-M17 HydrophobicContact CD2-CE 4.32Å; F14-L18 HydrophobicContact CD1-CD1 3.7Å; F14-L18 HydrophobicContact CE1-CD1 3.51Å; F14-L18 HydrophobicContact CE1-CG 4.42Å; F14-L18 HydrophobicContact CG-CD1 4.47Å; F14-L18 HydrophobicContact CZ-CD1 4.13Å; F14-L18 WeakPolarHBondContact O-CB 3.34Å; F14-L18 VanDerWaalsContact O-CG 3.26Å; F14-L18 WeakPolarHBondContact O-CG 3.47Å; F14-L18 PolarHBondContact O-N 3.3Å
15C53Low47.7Very low62 Ų6279.8 Ų79.842%0.41945%0.446SS..Hα-helixtrans-70.1-51178.1-74.30000112.3L11 E12 M17 L18 E19L11-C15 VanDerWaalsContact O-CB 3.25Å; L11-C15 WeakPolarHBondContact O-CB 3.24Å; L11-C15 PolarHBondContact O-N 3.29Å; L11-C15 PolarHBondContact O-SG 3.3Å; E12-C15 PolarHBondContact O-N 3.48Å; C15-M17 PolarHBondContact O-N 3.22Å; C15-L18 CarbonylContact O-C 3.59Å; C15-L18 WeakPolarHBondContact O-CA 3.31Å; C15-L18 WeakPolarHBondContact O-CB 3.43Å; C15-L18 PolarHBondContact O-N 2.95Å; C15-E19 VanDerWaalsContact O-CB 3.31Å; C15-E19 WeakPolarHBondContact O-CB 3.48Å; C15-E19 PolarHBondContact O-N 3.48Å
16K51.7Low48.2Very low57 Ų5781.4 Ų81.425%0.24845%0.454CS..Hα-helixtrans-61-34.9175.5-77.3-179.7169.2169.60112E12 E19 T20 H219E12-K16 HydrophobicContact CG-CD 4.08Å; E12-K16 HydrophobicContact CG-CG 4.39Å; E12-K16 WeakPolarHBondContact O-CB 3.41Å; E12-K16 PolarHBondContact O-N 3.44Å; E12-K16 VanDerWaalsContact OE1-CE 3.27Å; E12-K16 WeakPolarHBondContact OE1-CE 3.43Å; E12-K16 IonicContact OE1-NZ 2.96Å; E12-K16 PolarHBondContact OE1-NZ 3.42Å; K16-E19 PolarHBondContact O-N 2.93Å; K16-T20 WeakPolarHBondContact O-CB 3.49Å; K16-T20 WeakPolarHBondContact O-CG2 3.38Å; K16-T20 PolarHBondContact O-N 2.93Å; K16-T20 PolarHBondContact O-OG1 3.46Å; K16-H219 PolarHBondContact NZ-CE1 3.47Å; K16-H219 VanDerWaalsContact NZ-CE1 3.32Å; K16-H219 PolarHBondContact NZ-NE2 3.18Å
17M50.7Low48.2Very low16 Ų1685.2 Ų85.28%0.07946%0.464CS..Hα-helixtrans-69.9-33172.9-175.6166.847.900112.5L13 F14 C15 T20 L21 F102 L106 F230L13-M17 WeakPolarHBondContact O-CB 3.48Å; L13-M17 PolarHBondContact O-N 3.41Å; F14-M17 HydrophobicContact CD2-CE 4.32Å; C15-M17 PolarHBondContact O-N 3.22Å; M17-T20 WeakPolarHBondContact CA-OG1 3.32Å; M17-T20 PolarHBondContact O-OG1 3.03Å; M17-L21 WeakPolarHBondContact O-CD1 3.25Å; M17-L21 WeakPolarHBondContact O-CG 3.39Å; M17-L21 PolarHBondContact O-N 3.26Å; M17-F102 HydrophobicContact CG-CZ 4.15Å; M17-F102 HydrophobicContact SD-CZ 4.39Å; M17-L106 HydrophobicContact CE-CD2 3.36Å; M17-L106 HydrophobicContact SD-CD2 3.55Å; M17-L106 VanDerWaalsContact SD-CD2 3.55Å; M17-F230 HydrophobicContact SD-CE2 4.37Å
18L50.6Low47.9Very low87 Ų8789 Ų8946%0.45547%0.467SS..Hα-helixtrans-74-33.8171.1-77.4171.7000113F14 C15 L21 G22F14-L18 HydrophobicContact CD1-CD1 3.7Å; F14-L18 HydrophobicContact CE1-CD1 3.51Å; F14-L18 HydrophobicContact CE1-CG 4.42Å; F14-L18 HydrophobicContact CG-CD1 4.47Å; F14-L18 HydrophobicContact CZ-CD1 4.13Å; F14-L18 WeakPolarHBondContact O-CB 3.34Å; F14-L18 VanDerWaalsContact O-CG 3.26Å; F14-L18 WeakPolarHBondContact O-CG 3.47Å; F14-L18 PolarHBondContact O-N 3.3Å; C15-L18 CarbonylContact O-C 3.59Å; C15-L18 WeakPolarHBondContact O-CA 3.31Å; C15-L18 WeakPolarHBondContact O-CB 3.43Å; C15-L18 PolarHBondContact O-N 2.95Å; L18-L21 HydrophobicContact CD2-CD1 4.42Å; L18-L21 WeakPolarHBondContact O-CB 3.41Å; L18-L21 PolarHBondContact O-N 3.01Å; L18-G22 PolarHBondContact O-N 3.22Å
19E52.2Low47.6Very low136 Ų13689.8 Ų89.864%0.63647%0.466SS*.Hα-helixtrans-70.5-46.7-179.7-164162.7-131.100110.6C15 K16 L21 G22 E23C15-E19 VanDerWaalsContact O-CB 3.31Å; C15-E19 WeakPolarHBondContact O-CB 3.48Å; C15-E19 PolarHBondContact O-N 3.48Å; K16-E19 PolarHBondContact O-N 2.93Å; E19-L21 PolarHBondContact O-N 3.28Å; E19-G22 PolarHBondContact O-N 2.88Å; E19-E23 PolarHBondContact O-N 3.4Å
20T47.3Very low47.6Very low89 Ų8992.6 Ų92.655%0.54648%0.483SS..Hα-helixtrans-64.5-21.7171.349.90000114K16 M17K16-T20 WeakPolarHBondContact O-CB 3.49Å; K16-T20 WeakPolarHBondContact O-CG2 3.38Å; K16-T20 PolarHBondContact O-N 2.93Å; K16-T20 PolarHBondContact O-OG1 3.46Å; M17-T20 WeakPolarHBondContact CA-OG1 3.32Å; M17-T20 PolarHBondContact O-OG1 3.03Å
21L45.4Very low47.1Very low83 Ų8396.6 Ų96.644%0.43550%0.495SS..Hα-helixtrans-82-32168.8-72.7165.2000113.4M17 L18 E19 F102M17-L21 WeakPolarHBondContact O-CD1 3.25Å; M17-L21 WeakPolarHBondContact O-CG 3.39Å; M17-L21 PolarHBondContact O-N 3.26Å; L18-L21 HydrophobicContact CD2-CD1 4.42Å; L18-L21 WeakPolarHBondContact O-CB 3.41Å; L18-L21 PolarHBondContact O-N 3.01Å; E19-L21 PolarHBondContact O-N 3.28Å; L21-F102 HydrophobicContact CD1-CE1 3.4Å; L21-F102 HydrophobicContact CD1-CZ 3.57Å; L21-F102 HydrophobicContact CD2-CD1 4.34Å; L21-F102 HydrophobicContact CD2-CE1 3.68Å; L21-F102 HydrophobicContact CD2-CE2 4.27Å; L21-F102 HydrophobicContact CD2-CZ 3.67Å; L21-F102 HydrophobicContact CG-CE1 4.08Å; L21-F102 HydrophobicContact CG-CZ 3.95Å
22G45.6Very low46.6Very low63 Ų6396.9 Ų96.965%0.64950%0.496SS*.Hα-helixtrans-67-36179.900000112.6L18 E19 R24L18-G22 PolarHBondContact O-N 3.22Å; E19-G22 PolarHBondContact O-N 2.88Å; G22-R24 PolarHBondContact O-N 3.21Å
23E42.9Very low46.3Very low147 Ų14795.8 Ų95.869%0.68750%0.496SS*.THydrogen-bonded Turntrans-90.939.5-172.3-64.5-147.4141.900116.4E19E19-E23 PolarHBondContact O-N 3.4Å
24R43.3Very low46Very low198 Ų198100.8 Ų100.875%0.74751%0.513SS*.SBendtrans-155.9142.9153.2-98.9121.6-147.8-124.98114.3G22 I26G22-R24 PolarHBondContact O-N 3.21Å; R24-I26 PolarHBondContact O-N 3.3Å
25P43.9Very low46.1Very low72 Ų7298.6 Ų98.647%0.46851%0.509SS..  trans-80.2112.7-17330.9-34.5000112.7N27 R28P25-N27 PolarHBondContact O-N 3.38Å; P25-R28 HydrophobicContact CG-CB 4.3Å; P25-R28 HydrophobicContact CG-CG 4.21Å; P25-R28 PolarHBondContact O-N 3.2Å
26I45.4Very low46Very low117 Ų117106.6 Ų106.660%0.653%0.53SS*.Hα-helixtrans-46.3-36166.5-64.3170.5000111.1R24 R28 I29 V30R24-I26 PolarHBondContact O-N 3.3Å; I26-R28 VanDerWaalsContact C-N 3.27Å; I26-R28 PolarHBondContact O-N 3.28Å; I26-I29 PolarHBondContact O-N 3.33Å; I26-I29 VanDerWaalsContact O-N 3.08Å; I26-V30 PolarHBondContact O-N 3.39Å
27N41.3Very low46Very low123 Ų123104.9 Ų104.966%0.65853%0.525SS*.Hα-helixtrans-58.5-27.6178.6-63-1.1000114.6P25 L31P25-N27 PolarHBondContact O-N 3.38Å; N27-L31 PolarHBondContact O-N 2.89Å
28R40.6Very low46.1Very low173 Ų173105.8 Ų105.865%0.65353%0.53SS*.Hα-helixtrans-73.5-35.1175-93.1-169.5175.1176.71.5112.5P25 I26 L31 L32P25-R28 HydrophobicContact CG-CB 4.3Å; P25-R28 HydrophobicContact CG-CG 4.21Å; P25-R28 PolarHBondContact O-N 3.2Å; I26-R28 VanDerWaalsContact C-N 3.27Å; I26-R28 PolarHBondContact O-N 3.28Å; R28-L31 PolarHBondContact O-N 3.47Å; R28-L32 PolarHBondContact O-N 2.88Å
29I45.2Very low46.5Very low100 Ų100105.4 Ų105.451%0.51353%0.528SS..Hα-helixtrans-69.3-37.9-178.7-62.9174.8000110.4I26I26-I29 PolarHBondContact O-N 3.33Å; I26-I29 VanDerWaalsContact O-N 3.08Å
30V43.5Very low46.6Very low77 Ų77103.2 Ų103.247%0.46752%0.52SS..Hα-helixtrans-63-47.6175.9179.20000111.4I26 S33I26-V30 PolarHBondContact O-N 3.39Å; V30-S33 PolarHBondContact O-OG 3.29Å
31L39.3Very low47Very low146 Ų146101.3 Ų101.376%0.76451%0.51SS*.Hα-helixtrans-75.3-23.3-173.8-84.4161.5000115.3N27 R28N27-L31 PolarHBondContact O-N 2.89Å; R28-L31 PolarHBondContact O-N 3.47Å
32L40.9Very low47.6Very low115 Ų11599.6 Ų99.660%0.60250%0.501SS*.THydrogen-bonded Turntrans-94.17.6179.3-77.2162000114.1R28 W34R28-L32 PolarHBondContact O-N 2.88Å; L32-W34 PolarHBondContact O-N 2.97Å
33S45.9Very low48.2Very low40 Ų40101.4 Ų101.428%0.2849%0.494SS..  trans-83.80.8-171.165.70000116V30 R91V30-S33 PolarHBondContact O-OG 3.29Å; S33-R91 PolarHBondContact O-NH1 3.29Å
34W44.6Very low48.8Very low129 Ų12997.2 Ų97.249%0.48948%0.476SS..  trans-101.6118.5-179.4-6865.3000110.4L32 D38 I39 L42L32-W34 PolarHBondContact O-N 2.97Å; W34-D38 HydrophobicContact CE3-CB 4.36Å; W34-I39 HydrophobicContact CB-CD1 4.16Å; W34-I39 HydrophobicContact CB-CG1 3.96Å; W34-I39 HydrophobicContact CD2-CG1 4.46Å; W34-I39 HydrophobicContact CE3-CG1 3.8Å; W34-L42 HydrophobicContact CH2-CD1 4.04Å; W34-L42 HydrophobicContact CH2-CD2 3.95Å; W34-L42 HydrophobicContact CH2-CG 4.44Å; W34-L42 HydrophobicContact CZ3-CB 4.02Å; W34-L42 HydrophobicContact CZ3-CD1 4.18Å; W34-L42 HydrophobicContact CZ3-CD2 3.81Å; W34-L42 HydrophobicContact CZ3-CG 4.2Å
35S54.3Low49.5Very low41 Ų4188.5 Ų88.529%0.28745%0.446SS..  trans-84.3162.5169.383.40000110.1S37 D38 I39S35-S37 PolarHBondContact O-N 3.37Å; S35-S37 PolarHBondContact OG-OG 3.46Å; S35-S37 VanDerWaalsContact OG-OG 3.06Å; S35-D38 WeakPolarHBondContact CA-OD2 3.4Å; S35-D38 VanDerWaalsContact CB-OD2 3.23Å; S35-D38 WeakPolarHBondContact CB-OD2 3.42Å; S35-D38 PolarHBondContact N-OD2 2.96Å; S35-D38 WeakPolarHBondContact O-CB 3.35Å; S35-D38 PolarHBondContact O-N 3.36Å; S35-D38 PolarHBondContact OG-OD2 3.48Å; S35-I39 PolarHBondContact O-N 3.48Å
36R51.4Low50.2Low230 Ų23088.2 Ų88.287%0.86844%0.439SS*.Hα-helixtrans-58.7-33.4-177.5-79.1-179.5168.6168-4.8113.2D38 L40R36-D38 VanDerWaalsContact C-N 3.35Å; R36-L40 VanDerWaalsContact O-CB 3.28Å; R36-L40 WeakPolarHBondContact O-CB 3.29Å; R36-L40 PolarHBondContact O-N 3.39Å
37S51Low50.8Low20 Ų2086.9 Ų86.914%0.1443%0.432CS..Hα-helixtrans-70.7-28176.445.70000113.1S35 S41S35-S37 PolarHBondContact O-N 3.37Å; S35-S37 PolarHBondContact OG-OG 3.46Å; S35-S37 VanDerWaalsContact OG-OG 3.06Å; S37-S41 VanDerWaalsContact O-CB 3.27Å; S37-S41 WeakPolarHBondContact O-CB 3.15Å; S37-S41 PolarHBondContact O-N 3.48Å
38D52.5Low51.5Low36 Ų3682.3 Ų82.319%0.19341%0.41CS..Hα-helixtrans-75-42.9176.7-50-63000111.4W34 S35 R36 L40 S41 L42 R91W34-D38 HydrophobicContact CE3-CB 4.36Å; S35-D38 WeakPolarHBondContact CA-OD2 3.4Å; S35-D38 VanDerWaalsContact CB-OD2 3.23Å; S35-D38 WeakPolarHBondContact CB-OD2 3.42Å; S35-D38 PolarHBondContact N-OD2 2.96Å; S35-D38 WeakPolarHBondContact O-CB 3.35Å; S35-D38 PolarHBondContact O-N 3.36Å; S35-D38 PolarHBondContact OG-OD2 3.48Å; R36-D38 VanDerWaalsContact C-N 3.35Å; D38-L40 VanDerWaalsContact C-N 3.3Å; D38-S41 PolarHBondContact O-N 3.42Å; D38-L42 WeakPolarHBondContact O-CB 3.35Å; D38-L42 PolarHBondContact O-N 3.48Å; D38-R91 VanDerWaalsContact CG-CZ 3.5Å; D38-R91 VanDerWaalsContact CG-NH1 3.27Å; D38-R91 IonicContact OD1-CZ 3.52Å; D38-R91 IonicContact OD1-NH1 3.43Å; D38-R91 IonicContact OD1-NH2 3.73Å; D38-R91 PolarHBondContact OD1-NH2 2.87Å; D38-R91 IonicContact OD2-CZ 3.02Å; D38-R91 VanDerWaalsContact OD2-CZ 3.22Å; D38-R91 IonicContact OD2-NH1 3.34Å; D38-R91 PolarHBondContact OD2-NH1 2.9Å; D38-R91 IonicContact OD2-NH2 3.12Å; D38-R91 PolarHBondContact OD2-NH2 3.26Å
39I59.1Low52.2Low78 Ų7876.4 Ų76.440%0.439%0.39SS..Hα-helixtrans-60.9-45.5172.5-58.9172.1000108.7W34 S35 S41 L42 M43W34-I39 HydrophobicContact CB-CD1 4.16Å; W34-I39 HydrophobicContact CB-CG1 3.96Å; W34-I39 HydrophobicContact CD2-CG1 4.46Å; W34-I39 HydrophobicContact CE3-CG1 3.8Å; S35-I39 PolarHBondContact O-N 3.48Å; I39-S41 PolarHBondContact O-N 3.48Å; I39-L42 PolarHBondContact O-N 3.06Å; I39-M43 HydrophobicContact CG2-CG 4.3Å; I39-M43 WeakPolarHBondContact O-CB 3.47Å; I39-M43 WeakPolarHBondContact O-CG 3.49Å; I39-M43 PolarHBondContact O-N 3.08Å
40L56.1Low52.7Low91 Ų9176.1 Ų76.148%0.47639%0.39SS..Hα-helixtrans-62.7-41.5176.8-164.872.9000112.1R36 D38 M43 L44R36-L40 VanDerWaalsContact O-CB 3.28Å; R36-L40 WeakPolarHBondContact O-CB 3.29Å; R36-L40 PolarHBondContact O-N 3.39Å; D38-L40 VanDerWaalsContact C-N 3.3Å; L40-M43 PolarHBondContact O-N 3.17Å; L40-L44 HydrophobicContact CG-CD1 4.08Å; L40-L44 VanDerWaalsContact O-CB 3.31Å; L40-L44 WeakPolarHBondContact O-CB 3.43Å; L40-L44 WeakPolarHBondContact O-CD1 3.49Å; L40-L44 VanDerWaalsContact O-CG 3.27Å; L40-L44 WeakPolarHBondContact O-CG 3.47Å; L40-L44 PolarHBondContact O-N 3.37Å
41S54.3Low53.1Low49 Ų4975.9 Ų75.934%0.34339%0.385SS..Hα-helixtrans-65.2-39.9175.4-174.50000112.2S37 D38 I39 S45S37-S41 VanDerWaalsContact O-CB 3.27Å; S37-S41 WeakPolarHBondContact O-CB 3.15Å; S37-S41 PolarHBondContact O-N 3.48Å; D38-S41 PolarHBondContact O-N 3.42Å; I39-S41 PolarHBondContact O-N 3.48Å; S41-S45 WeakPolarHBondContact O-CB 3.2Å; S41-S45 PolarHBondContact O-N 3.47Å; S41-S45 PolarHBondContact O-OG 3.38Å
42L58.4Low53.8Low47 Ų4770.7 Ų70.725%0.24636%0.358CS..Hα-helixtrans-61.8-51.8172.7-17492.5000109.8W34 D38 I39 L44 S45 I46 L84W34-L42 HydrophobicContact CH2-CD1 4.04Å; W34-L42 HydrophobicContact CH2-CD2 3.95Å; W34-L42 HydrophobicContact CH2-CG 4.44Å; W34-L42 HydrophobicContact CZ3-CB 4.02Å; W34-L42 HydrophobicContact CZ3-CD1 4.18Å; W34-L42 HydrophobicContact CZ3-CD2 3.81Å; W34-L42 HydrophobicContact CZ3-CG 4.2Å; D38-L42 WeakPolarHBondContact O-CB 3.35Å; D38-L42 PolarHBondContact O-N 3.48Å; I39-L42 PolarHBondContact O-N 3.06Å; L42-L44 PolarHBondContact O-N 3.42Å; L42-S45 PolarHBondContact O-N 2.73Å; L42-S45 VanDerWaalsContact O-N 3.16Å; L42-S45 PolarHBondContact O-OG 3.18Å; L42-I46 HydrophobicContact CD1-CD1 4.38Å; L42-I46 HydrophobicContact CD2-CD1 3.83Å; L42-I46 HydrophobicContact CG-CD1 3.72Å; L42-I46 HydrophobicContact CG-CG1 4.44Å; L42-I46 WeakPolarHBondContact O-CG1 3.39Å; L42-I46 PolarHBondContact O-N 2.95Å; L42-L84 HydrophobicContact CB-CD2 4.5Å; L42-L84 HydrophobicContact CD1-CD1 3.76Å; L42-L84 HydrophobicContact CD1-CD2 3.82Å; L42-L84 HydrophobicContact CD1-CG 4.37Å
43M58.3Low54.4Low100 Ų10068.1 Ų68.149%0.49335%0.35SS..Hα-helixtrans-60.3-43.9179.4-64.9-134.974.900111.9I39 L40 S45 I46 M47I39-M43 HydrophobicContact CG2-CG 4.3Å; I39-M43 WeakPolarHBondContact O-CB 3.47Å; I39-M43 WeakPolarHBondContact O-CG 3.49Å; I39-M43 PolarHBondContact O-N 3.08Å; L40-M43 PolarHBondContact O-N 3.17Å; M43-S45 PolarHBondContact O-N 3.29Å; M43-I46 PolarHBondContact O-N 3.18Å; M43-M47 WeakPolarHBondContact O-CB 3.05Å; M43-M47 VanDerWaalsContact O-CG 3.23Å; M43-M47 WeakPolarHBondContact O-CG 3.46Å; M43-M47 PolarHBondContact O-N 3.14Å
44L56Low54.7Low59 Ų5968.9 Ų68.931%0.30936%0.355SS..Hα-helixtrans-60.3-42.6174.6-77.5163.8000111.9L40 L42 M47 S48L40-L44 HydrophobicContact CG-CD1 4.08Å; L40-L44 VanDerWaalsContact O-CB 3.31Å; L40-L44 WeakPolarHBondContact O-CB 3.43Å; L40-L44 WeakPolarHBondContact O-CD1 3.49Å; L40-L44 VanDerWaalsContact O-CG 3.27Å; L40-L44 WeakPolarHBondContact O-CG 3.47Å; L40-L44 PolarHBondContact O-N 3.37Å; L42-L44 PolarHBondContact O-N 3.42Å; L44-M47 PolarHBondContact O-N 3.38Å; L44-S48 WeakPolarHBondContact O-CB 3.15Å; L44-S48 PolarHBondContact O-N 2.98Å
45S58.2Low55.1Low16 Ų1664.1 Ų64.111%0.11234%0.341CS..Hα-helixtrans-66.7-42.2176690000112.4S41 L42 M43 S48 L49S41-S45 WeakPolarHBondContact O-CB 3.2Å; S41-S45 PolarHBondContact O-N 3.47Å; S41-S45 PolarHBondContact O-OG 3.38Å; L42-S45 PolarHBondContact O-N 2.73Å; L42-S45 VanDerWaalsContact O-N 3.16Å; L42-S45 PolarHBondContact O-OG 3.18Å; M43-S45 PolarHBondContact O-N 3.29Å; S45-S48 PolarHBondContact O-N 3.24Å; S45-S48 PolarHBondContact O-OG 2.79Å; S45-L49 VanDerWaalsContact O-CG 3.29Å; S45-L49 WeakPolarHBondContact O-CG 3.38Å; S45-L49 PolarHBondContact O-N 2.98Å
46I58.2Low54.9Low65 Ų6565.1 Ų65.133%0.33335%0.345SS..Hα-helixtrans-66.1-39.8176.1-68.2171.2000111L42 M43 L49 L50L42-I46 HydrophobicContact CD1-CD1 4.38Å; L42-I46 HydrophobicContact CD2-CD1 3.83Å; L42-I46 HydrophobicContact CG-CD1 3.72Å; L42-I46 HydrophobicContact CG-CG1 4.44Å; L42-I46 WeakPolarHBondContact O-CG1 3.39Å; L42-I46 PolarHBondContact O-N 2.95Å; M43-I46 PolarHBondContact O-N 3.18Å; I46-L49 PolarHBondContact O-N 3.21Å; I46-L50 HydrophobicContact CG2-CD1 3.9Å; I46-L50 HydrophobicContact CG2-CG 4.41Å; I46-L50 WeakPolarHBondContact O-CB 3.45Å; I46-L50 WeakPolarHBondContact O-CG 3.38Å; I46-L50 PolarHBondContact O-N 2.78Å
47M57Low54.7Low89 Ų8958.7 Ų58.744%0.43833%0.332SS..Hα-helixtrans-61.8-43.5171.8-72.1-60.3105.400110.9M43 L44 L49 L50 L51M43-M47 WeakPolarHBondContact O-CB 3.05Å; M43-M47 VanDerWaalsContact O-CG 3.23Å; M43-M47 WeakPolarHBondContact O-CG 3.46Å; M43-M47 PolarHBondContact O-N 3.14Å; L44-M47 PolarHBondContact O-N 3.38Å; M47-L49 VanDerWaalsContact C-N 3.35Å; M47-L49 PolarHBondContact O-N 2.87Å; M47-L50 HydrophobicContact CE-CD1 3.76Å; M47-L50 PolarHBondContact O-N 3.29Å; M47-L51 VanDerWaalsContact O-CB 3.31Å; M47-L51 WeakPolarHBondContact O-CB 3.45Å; M47-L51 WeakPolarHBondContact O-CD1 3.27Å; M47-L51 WeakPolarHBondContact O-CG 3.4Å; M47-L51 PolarHBondContact O-N 2.92Å
48S56.7Low54.7Low28 Ų2861.7 Ų61.720%0.19635%0.353CS..Hα-helixtrans-63.6-38.9175.873.90000112.5L44 S45 I52L44-S48 WeakPolarHBondContact O-CB 3.15Å; L44-S48 PolarHBondContact O-N 2.98Å; S45-S48 PolarHBondContact O-N 3.24Å; S45-S48 PolarHBondContact O-OG 2.79Å; S48-I52 WeakPolarHBondContact O-CB 3.41Å; S48-I52 WeakPolarHBondContact O-CD1 3.48Å; S48-I52 WeakPolarHBondContact O-CG1 3.39Å; S48-I52 PolarHBondContact O-N 3.21Å
49L54.9Low54.4Low48 Ų4861.6 Ų61.625%0.25135%0.35SS..Hα-helixtrans-65.2-43.2175.2-72.3166.2000112S45 I46 M47 S53 V77S45-L49 VanDerWaalsContact O-CG 3.29Å; S45-L49 WeakPolarHBondContact O-CG 3.38Å; S45-L49 PolarHBondContact O-N 2.98Å; I46-L49 PolarHBondContact O-N 3.21Å; M47-L49 VanDerWaalsContact C-N 3.35Å; M47-L49 PolarHBondContact O-N 2.87Å; L49-S53 WeakPolarHBondContact O-CB 3.38Å; L49-S53 PolarHBondContact O-N 3.37Å; L49-V77 HydrophobicContact CD2-CB 3.94Å; L49-V77 HydrophobicContact CD2-CG1 3.78Å; L49-V77 HydrophobicContact CD2-CG2 3.52Å
50L55.7Low53.6Low95 Ų9568.2 Ų68.250%0.49737%0.37SS..Hα-helixtrans-67.9-43.4177.3-73.4168.9000111.6I46 M47 S53 S54I46-L50 HydrophobicContact CG2-CD1 3.9Å; I46-L50 HydrophobicContact CG2-CG 4.41Å; I46-L50 WeakPolarHBondContact O-CB 3.45Å; I46-L50 WeakPolarHBondContact O-CG 3.38Å; I46-L50 PolarHBondContact O-N 2.78Å; M47-L50 HydrophobicContact CE-CD1 3.76Å; M47-L50 PolarHBondContact O-N 3.29Å; L50-S53 WeakPolarHBondContact CA-OG 3.44Å; L50-S53 PolarHBondContact O-N 3.01Å; L50-S53 PolarHBondContact O-OG 3.13Å; L50-S54 PolarHBondContact O-N 3.26Å
51L53.5Low53Low71 Ų7175 Ų7537%0.37239%0.391SS..Hα-helixtrans-61-46.5175.3-73166.6000111.3M47 S53 S54 S55M47-L51 VanDerWaalsContact O-CB 3.31Å; M47-L51 WeakPolarHBondContact O-CB 3.45Å; M47-L51 WeakPolarHBondContact O-CD1 3.27Å; M47-L51 WeakPolarHBondContact O-CG 3.4Å; M47-L51 PolarHBondContact O-N 2.92Å; L51-S53 VanDerWaalsContact C-N 3.34Å; L51-S53 PolarHBondContact O-N 3.05Å; L51-S54 PolarHBondContact O-N 3.35Å; L51-S54 VanDerWaalsContact O-N 3.15Å; L51-S54 PolarHBondContact O-OG 2.8Å; L51-S55 PolarHBondContact O-N 3.14Å; L51-S55 PolarHBondContact O-OG 2.68Å
52I53.6Low52.5Low38 Ų3874.6 Ų74.620%0.19539%0.389CS..Hα-helixtrans-61.4-42.1174.5-70166.4000111S48 S54 S55 V56 D73 F76S48-I52 WeakPolarHBondContact O-CB 3.41Å; S48-I52 WeakPolarHBondContact O-CD1 3.48Å; S48-I52 WeakPolarHBondContact O-CG1 3.39Å; S48-I52 PolarHBondContact O-N 3.21Å; I52-S54 VanDerWaalsContact C-N 3.3Å; I52-S54 PolarHBondContact O-N 3.08Å; I52-S55 WeakPolarHBondContact CA-OG 3.48Å; I52-S55 PolarHBondContact O-N 3.17Å; I52-S55 PolarHBondContact O-OG 2.73Å; I52-V56 HydrophobicContact CG2-CG2 4.38Å; I52-V56 WeakPolarHBondContact O-CB 3.27Å; I52-V56 VanDerWaalsContact O-CG2 3.3Å; I52-V56 WeakPolarHBondContact O-CG2 3.47Å; I52-V56 PolarHBondContact O-N 3.37Å; I52-D73 HydrophobicContact CG2-CB 4.49Å; I52-F76 HydrophobicContact CD1-CD1 3.4Å; I52-F76 HydrophobicContact CD1-CE1 3.39Å; I52-F76 HydrophobicContact CD1-CG 4.39Å; I52-F76 HydrophobicContact CD1-CZ 4.37Å
53S52.1Low51.7Low61 Ų6178.5 Ų78.543%0.42742%0.419SS..Hα-helixtrans-61.4-39175.579.60000112.1L49 L50 L51 V56 T57L49-S53 WeakPolarHBondContact O-CB 3.38Å; L49-S53 PolarHBondContact O-N 3.37Å; L50-S53 WeakPolarHBondContact CA-OG 3.44Å; L50-S53 PolarHBondContact O-N 3.01Å; L50-S53 PolarHBondContact O-OG 3.13Å; L51-S53 VanDerWaalsContact C-N 3.34Å; L51-S53 PolarHBondContact O-N 3.05Å; S53-V56 PolarHBondContact O-N 3.43Å; S53-T57 PolarHBondContact O-N 2.96Å; S53-T57 PolarHBondContact O-OG1 3.06Å
54S52.6Low51Low56 Ų5677.9 Ų77.939%0.39243%0.425SS..Hα-helixtrans-66.9-43.7178.173.40000111.9L50 L51 I52 V56 T57 S58L50-S54 PolarHBondContact O-N 3.26Å; L51-S54 PolarHBondContact O-N 3.35Å; L51-S54 VanDerWaalsContact O-N 3.15Å; L51-S54 PolarHBondContact O-OG 2.8Å; I52-S54 VanDerWaalsContact C-N 3.3Å; I52-S54 PolarHBondContact O-N 3.08Å; S54-V56 PolarHBondContact O-N 3.16Å; S54-T57 WeakPolarHBondContact CA-OG1 3.01Å; S54-T57 PolarHBondContact O-N 3.23Å; S54-T57 PolarHBondContact O-OG1 3.47Å; S54-S58 PolarHBondContact O-N 3.38Å; S54-S58 PolarHBondContact O-OG 3.34Å
55S52.5Low50.3Low29 Ų2980.1 Ų80.120%0.20343%0.43CS..Hα-helixtrans-63-42.8173.349.10000112L51 I52 T57 S58 Y59L51-S55 PolarHBondContact O-N 3.14Å; L51-S55 PolarHBondContact O-OG 2.68Å; I52-S55 WeakPolarHBondContact CA-OG 3.48Å; I52-S55 PolarHBondContact O-N 3.17Å; I52-S55 PolarHBondContact O-OG 2.73Å; S55-T57 VanDerWaalsContact C-N 3.27Å; S55-T57 PolarHBondContact O-N 3.26Å; S55-S58 PolarHBondContact O-N 3.26Å; S55-Y59 WeakPolarHBondContact O-CB 3.22Å; S55-Y59 WeakPolarHBondContact O-CD2 3.32Å; S55-Y59 PolarHBondContact O-N 3.28Å
56V50.8Low50Low61 Ų6182.6 Ų82.637%0.3745%0.447SS..Hα-helixtrans-62.1-34.6176.7169.80000111.5I52 S53 S54I52-V56 HydrophobicContact CG2-CG2 4.38Å; I52-V56 WeakPolarHBondContact O-CB 3.27Å; I52-V56 VanDerWaalsContact O-CG2 3.3Å; I52-V56 WeakPolarHBondContact O-CG2 3.47Å; I52-V56 PolarHBondContact O-N 3.37Å; S53-V56 PolarHBondContact O-N 3.43Å; S54-V56 PolarHBondContact O-N 3.16Å
57T47.1Very low49.6Very low95 Ų9590.2 Ų90.258%0.58347%0.472SS*.Hα-helixtrans-70.3-42.4172.448.10000113.5S53 S54 S55 Y59 R60S53-T57 PolarHBondContact O-N 2.96Å; S53-T57 PolarHBondContact O-OG1 3.06Å; S54-T57 WeakPolarHBondContact CA-OG1 3.01Å; S54-T57 PolarHBondContact O-N 3.23Å; S54-T57 PolarHBondContact O-OG1 3.47Å; S55-T57 VanDerWaalsContact C-N 3.27Å; S55-T57 PolarHBondContact O-N 3.26Å; T57-Y59 VanDerWaalsContact C-N 3.31Å; T57-Y59 PolarHBondContact O-N 3.24Å; T57-R60 PolarHBondContact O-N 3.49Å
58S50.2Low49.2Very low84 Ų8491 Ų9159%0.58748%0.477SS*.Hα-helixtrans-65-32.9177.4-650000113S54 S55 R60S54-S58 PolarHBondContact O-N 3.38Å; S54-S58 PolarHBondContact O-OG 3.34Å; S55-S58 PolarHBondContact O-N 3.26Å; S58-R60 PolarHBondContact O-N 3.35Å
59Y47.6Very low49Very low33 Ų3391.2 Ų91.213%0.12948%0.479CS..G310 helixtrans-79.7-8.7-177.3-93.1-84.2000115.6S55 T57 Y61 S62 Y65 Y285 I289S55-Y59 WeakPolarHBondContact O-CB 3.22Å; S55-Y59 WeakPolarHBondContact O-CD2 3.32Å; S55-Y59 PolarHBondContact O-N 3.28Å; T57-Y59 VanDerWaalsContact C-N 3.31Å; T57-Y59 PolarHBondContact O-N 3.24Å; Y59-Y61 PolarHBondContact O-N 2.83Å; Y59-S62 PolarHBondContact O-N 3.33Å; Y59-Y65 HydrophobicContact CD1-CD2 4.21Å; Y59-Y65 AromaticContact CD1-CE2 3.5Å; Y59-Y65 HydrophobicContact CD1-CE2 3.5Å; Y59-Y65 AromaticContact CE1-CE2 3.83Å; Y59-Y65 HydrophobicContact CE1-CE2 3.83Å; Y59-Y65 HydrophobicContact CG-CE2 4.4Å; Y59-Y285 HydrophobicContact CE2-CD1 4.32Å; Y59-Y285 AromaticContact CE2-CE1 3.58Å; Y59-Y285 HydrophobicContact CE2-CE1 3.58Å; Y59-Y285 AromaticContact CZ-CE1 3.86Å; Y59-Y285 WeakPolarHBondContact OH-CD1 3.41Å; Y59-Y285 WeakPolarHBondContact OH-CE1 3.35Å; Y59-I289 HydrophobicContact CD2-CD1 4.45Å; Y59-I289 HydrophobicContact CE2-CD1 3.4Å; Y59-I289 WeakPolarHBondContact OH-CD1 3.27Å
60R41.9Very low49Very low217 Ų21793.2 Ų93.282%0.81949%0.489SS*.G310 helixtrans-62.4-11.2178.5-86.3-171.1172.9-166.7-1.7115.1T57 S58T57-R60 PolarHBondContact O-N 3.49Å; S58-R60 PolarHBondContact O-N 3.35Å
61Y43.6Very low48.9Very low233 Ų23391.3 Ų91.391%0.91449%0.487SS*.G310 helixtrans-89.2-3.9174.1-85.7-85.9000114.7Y59Y59-Y61 PolarHBondContact O-N 2.83Å
62S42.9Very low48.9Very low42 Ų4288.5 Ų88.529%0.29448%0.475SS..  trans-104.6114.5176.9-170.40000111.1Y59 S64Y59-S62 PolarHBondContact O-N 3.33Å; S62-S64 PolarHBondContact O-N 3.11Å
63S41.3Very low48.9Very low128 Ų12888.1 Ų88.190%0.89547%0.473SS*.THydrogen-bonded Turntrans-75.521.5-170.450.60000115.7
64S44.5Very low49Very low88 Ų8890.5 Ų90.562%0.61548%0.481SS*.THydrogen-bonded Turntrans-125.715.8-165-47.70000115S62S62-S64 PolarHBondContact O-N 3.11Å
65Y41.8Very low49.1Very low105 Ų10591 Ų9141%0.41248%0.479SS..  trans-99.1126.5177.5-89.2-87.4000113Y59Y59-Y65 HydrophobicContact CD1-CD2 4.21Å; Y59-Y65 AromaticContact CD1-CE2 3.5Å; Y59-Y65 HydrophobicContact CD1-CE2 3.5Å; Y59-Y65 AromaticContact CE1-CE2 3.83Å; Y59-Y65 HydrophobicContact CE1-CE2 3.83Å; Y59-Y65 HydrophobicContact CG-CE2 4.4Å
66S52.5Low49.3Very low68 Ų6891.3 Ų91.348%0.47648%0.476SS..  trans-82.4157.5172.874.50000112I68 S69S66-I68 PolarHBondContact O-N 2.95Å; S66-S69 PolarHBondContact O-N 2.88Å; S66-S69 VanDerWaalsContact O-N 3.15Å
67W49.5Very low49.6Very low226 Ų22691 Ų9186%0.85647%0.474SS*.Hα-helixtrans-51.1-22.7175.1-77.384.5000114.3S69 I70 A71W67-S69 PolarHBondContact O-N 3.36Å; W67-I70 PolarHBondContact O-N 3.07Å; W67-A71 PolarHBondContact O-N 3.5Å
68I48.5Very low50Low104 Ų10492.9 Ų92.953%0.53348%0.475SS..Hα-helixtrans-64.8-37.2-178.2-56.9174.1000111.5S66 A71 G72 I1449S66-I68 PolarHBondContact O-N 2.95Å; I68-A71 PolarHBondContact O-N 3.04Å; I68-G72 PolarHBondContact O-N 2.92Å; I68-I1449 HydrophobicContact CG2-CD1 3.45Å; I68-I1449 VanDerWaalsContact CG2-CD1 3.45Å
69S52.6Low50.2Low34 Ų3489.1 Ų89.124%0.23845%0.448CS..Hα-helixtrans-67.8-45.4178.2-162.70000111.1S66 W67 A71 G72 D73S66-S69 PolarHBondContact O-N 2.88Å; S66-S69 VanDerWaalsContact O-N 3.15Å; W67-S69 PolarHBondContact O-N 3.36Å; S69-A71 VanDerWaalsContact C-N 3.29Å; S69-A71 PolarHBondContact O-N 2.98Å; S69-G72 CarbonylContact O-C 3.6Å; S69-G72 WeakPolarHBondContact O-CA 3.16Å; S69-G72 PolarHBondContact O-N 3.42Å; S69-D73 PolarHBondContact O-N 3.39Å
70I54.7Low50.7Low89 Ų8988.1 Ų88.146%0.45645%0.446SS..Hα-helixtrans-61.3-40177.8-57.4173.7000110.5W67 G72 D73 L74W67-I70 PolarHBondContact O-N 3.07Å; I70-G72 VanDerWaalsContact C-N 3.34Å; I70-D73 PolarHBondContact O-N 2.06Å; I70-L74 HydrophobicContact CG2-CD1 4.14Å; I70-L74 WeakPolarHBondContact O-CB 3.42Å; I70-L74 VanDerWaalsContact O-CG 3.29Å; I70-L74 WeakPolarHBondContact O-CG 3.5Å; I70-L74 PolarHBondContact O-N 3.4Å
71A52.5Low51.3Low55 Ų5580.2 Ų80.246%0.45542%0.424SS..Hα-helixtrans-64.1-37.7173.200000112.4W67 I68 S69 L75W67-A71 PolarHBondContact O-N 3.5Å; I68-A71 PolarHBondContact O-N 3.04Å; S69-A71 VanDerWaalsContact C-N 3.29Å; S69-A71 PolarHBondContact O-N 2.98Å; A71-L75 VanDerWaalsContact O-CB 3.29Å; A71-L75 WeakPolarHBondContact O-CB 3.36Å; A71-L75 PolarHBondContact O-N 3.31Å
72G53.8Low52.1Low12 Ų1269.8 Ų69.812%0.12439%0.385CS..Hα-helixtrans-64.2-44.1173.600000113.2I68 S69 I70 L75 F76I68-G72 PolarHBondContact O-N 2.92Å; S69-G72 CarbonylContact O-C 3.6Å; S69-G72 WeakPolarHBondContact O-CA 3.16Å; S69-G72 PolarHBondContact O-N 3.42Å; I70-G72 VanDerWaalsContact C-N 3.34Å; G72-L75 PolarHBondContact O-N 3.47Å; G72-F76 PolarHBondContact O-N 3.24Å
73D54.1Low52.7Low30 Ų3069 Ų6916%0.1638%0.378CS..Hα-helixtrans-63.7-46.3175.9-63.1-35000111.2I52 S69 I70 L75 F76 V77 H293I52-D73 HydrophobicContact CG2-CB 4.49Å; S69-D73 PolarHBondContact O-N 3.39Å; I70-D73 PolarHBondContact O-N 2.06Å; D73-L75 VanDerWaalsContact C-N 3.26Å; D73-L75 PolarHBondContact O-N 2.93Å; D73-F76 PolarHBondContact O-N 2.9Å; D73-F76 VanDerWaalsContact O-N 3.15Å; D73-V77 VanDerWaalsContact O-CG2 3.28Å; D73-V77 WeakPolarHBondContact O-CG2 3.41Å; D73-V77 PolarHBondContact O-N 3.19Å; D73-H293 IonicContact OD1-CD2 2.72Å; D73-H293 PolarHBondContact OD1-CD2 3.42Å; D73-H293 IonicContact OD1-NE2 3.06Å; D73-H293 PolarHBondContact OD1-NE2 3.03Å
74L54Low53.4Low112 Ų11265 Ų6559%0.58635%0.346SS*.Hα-helixtrans-58.8-36.7173.6-75.6168.5000112.2I70 V77 F78I70-L74 HydrophobicContact CG2-CD1 4.14Å; I70-L74 WeakPolarHBondContact O-CB 3.42Å; I70-L74 VanDerWaalsContact O-CG 3.29Å; I70-L74 WeakPolarHBondContact O-CG 3.5Å; I70-L74 PolarHBondContact O-N 3.4Å; L74-V77 PolarHBondContact O-N 3.43Å; L74-F78 VanDerWaalsContact O-CB 3.29Å; L74-F78 WeakPolarHBondContact O-CB 3.17Å; L74-F78 PolarHBondContact O-N 3.46Å
75L55Low54Low67 Ų6767 Ų6735%0.35134%0.343SS..Hα-helixtrans-72-34.1176.7-171.6140.6000112.1A71 G72 D73 F78 L79 V297A71-L75 VanDerWaalsContact O-CB 3.29Å; A71-L75 WeakPolarHBondContact O-CB 3.36Å; A71-L75 PolarHBondContact O-N 3.31Å; G72-L75 PolarHBondContact O-N 3.47Å; D73-L75 VanDerWaalsContact C-N 3.26Å; D73-L75 PolarHBondContact O-N 2.93Å; L75-F78 PolarHBondContact O-N 3.48Å; L75-L79 HydrophobicContact CD2-CD1 3.63Å; L75-L79 HydrophobicContact CD2-CG 4.35Å; L75-L79 WeakPolarHBondContact O-CB 3.48Å; L75-L79 VanDerWaalsContact O-CG 3.28Å; L75-L79 WeakPolarHBondContact O-CG 3.45Å; L75-L79 PolarHBondContact O-N 2.96Å; L75-V297 HydrophobicContact CD2-CG1 4.25Å
76F56.8Low54.5Low34 Ų3463.3 Ų63.315%0.14933%0.331CS..Hα-helixtrans-67.7-42169.7-178.1-89000112I52 G72 D73 F78 L79 S80 G296 V297 A300I52-F76 HydrophobicContact CD1-CD1 3.4Å; I52-F76 HydrophobicContact CD1-CE1 3.39Å; I52-F76 HydrophobicContact CD1-CG 4.39Å; I52-F76 HydrophobicContact CD1-CZ 4.37Å; G72-F76 PolarHBondContact O-N 3.24Å; D73-F76 PolarHBondContact O-N 2.9Å; D73-F76 VanDerWaalsContact O-N 3.15Å; F76-F78 VanDerWaalsContact C-N 3.31Å; F76-F78 PolarHBondContact O-N 3.31Å; F76-L79 PolarHBondContact O-N 3.18Å; F76-S80 WeakPolarHBondContact O-CB 3.42Å; F76-S80 PolarHBondContact O-N 3.05Å; F76-S80 PolarHBondContact O-OG 3.21Å; F76-G296 WeakPolarHBondContact CE2-O 3.4Å; F76-V297 HydrophobicContact CB-CG2 4.4Å; F76-V297 HydrophobicContact CD2-CG2 4.49Å; F76-A300 HydrophobicContact CD2-CB 4.1Å; F76-A300 HydrophobicContact CE2-CB 3.95Å
77V55.9Low54.6Low54 Ų5461.9 Ų61.933%0.32732%0.32SS..Hα-helixtrans-59-43.7172.1172.20000110.7L49 D73 L74 S80 S81L49-V77 HydrophobicContact CD2-CB 3.94Å; L49-V77 HydrophobicContact CD2-CG1 3.78Å; L49-V77 HydrophobicContact CD2-CG2 3.52Å; D73-V77 VanDerWaalsContact O-CG2 3.28Å; D73-V77 WeakPolarHBondContact O-CG2 3.41Å; D73-V77 PolarHBondContact O-N 3.19Å; L74-V77 PolarHBondContact O-N 3.43Å; V77-S80 WeakPolarHBondContact CA-OG 3.48Å; V77-S80 PolarHBondContact O-OG 3.48Å; V77-S80 VanDerWaalsContact O-OG 3.09Å; V77-S81 WeakPolarHBondContact O-CB 3.28Å; V77-S81 PolarHBondContact O-N 3.17Å; V77-S81 PolarHBondContact O-OG 3.09Å
78F57Low54.8Low135 Ų13556.5 Ų56.559%0.59230%0.302SS*.Hα-helixtrans-65.8-42177.6-174.8-99.4000112.5L74 L75 F76 S81 S82L74-F78 VanDerWaalsContact O-CB 3.29Å; L74-F78 WeakPolarHBondContact O-CB 3.17Å; L74-F78 PolarHBondContact O-N 3.46Å; L75-F78 PolarHBondContact O-N 3.48Å; F76-F78 VanDerWaalsContact C-N 3.31Å; F76-F78 PolarHBondContact O-N 3.31Å; F78-S81 PolarHBondContact O-OG 3.49Å; F78-S81 VanDerWaalsContact O-OG 3.11Å; F78-S82 WeakPolarHBondContact O-CB 3.3Å; F78-S82 PolarHBondContact O-N 3.37Å; F78-S82 PolarHBondContact O-OG 2.73Å
79L54.2Low55.1Low5 Ų553.6 Ų53.63%0.02629%0.287CS..Hα-helixtrans-69.6-41.8178.4-76.3171.5000113.1L75 F76 S82 L83 A300 F304 F1457L75-L79 HydrophobicContact CD2-CD1 3.63Å; L75-L79 HydrophobicContact CD2-CG 4.35Å; L75-L79 WeakPolarHBondContact O-CB 3.48Å; L75-L79 VanDerWaalsContact O-CG 3.28Å; L75-L79 WeakPolarHBondContact O-CG 3.45Å; L75-L79 PolarHBondContact O-N 2.96Å; F76-L79 PolarHBondContact O-N 3.18Å; L79-S82 PolarHBondContact O-N 3.18Å; L79-L83 PolarHBondContact O-N 3.29Å; L79-A300 HydrophobicContact CB-CB 4.05Å; L79-A300 HydrophobicContact CD1-CB 4.39Å; L79-F304 HydrophobicContact CD2-CB 4.13Å; L79-F304 HydrophobicContact CD2-CG 4.29Å; L79-F1457 HydrophobicContact CD2-CZ 4.23Å
80S56.6Low55.1Low13 Ų1353.8 Ų53.89%0.09129%0.287CS..Hα-helixtrans-67.1-44.3178.152.80000111.9F76 V77 L83 L84F76-S80 WeakPolarHBondContact O-CB 3.42Å; F76-S80 PolarHBondContact O-N 3.05Å; F76-S80 PolarHBondContact O-OG 3.21Å; V77-S80 WeakPolarHBondContact CA-OG 3.48Å; V77-S80 PolarHBondContact O-OG 3.48Å; V77-S80 VanDerWaalsContact O-OG 3.09Å; S80-L83 WeakPolarHBondContact O-CB 3.37Å; S80-L83 PolarHBondContact O-N 2.79Å; S80-L84 PolarHBondContact O-N 3.41Å
81S56.2Low55.1Low51 Ų5153.2 Ų53.236%0.35728%0.279SS..Hα-helixtrans-65.8-35.7171.657.80000112.7V77 F78 L83 L84 F85V77-S81 WeakPolarHBondContact O-CB 3.28Å; V77-S81 PolarHBondContact O-N 3.17Å; V77-S81 PolarHBondContact O-OG 3.09Å; F78-S81 PolarHBondContact O-OG 3.49Å; F78-S81 VanDerWaalsContact O-OG 3.11Å; S81-L83 VanDerWaalsContact C-N 3.29Å; S81-L83 PolarHBondContact O-N 3.48Å; S81-L84 PolarHBondContact O-N 3.06Å; S81-F85 WeakPolarHBondContact O-CB 3.43Å; S81-F85 PolarHBondContact O-N 3.08Å
82S60.1Low55.1Low14 Ų1456.7 Ų56.710%0.09828%0.281CS..Hα-helixtrans-62.6-32.4173.4-67.80000113.1F78 L79 F85 L86F78-S82 WeakPolarHBondContact O-CB 3.3Å; F78-S82 PolarHBondContact O-N 3.37Å; F78-S82 PolarHBondContact O-OG 2.73Å; L79-S82 PolarHBondContact O-N 3.18Å; S82-F85 PolarHBondContact O-N 3.33Å; S82-L86 PolarHBondContact O-N 2.91Å
83L56Low55Low25 Ų2559.2 Ų59.213%0.13129%0.289CS..Hα-helixtrans-66.7-44.4173.2-115.493.8000112.4L79 S80 S81 F85 L86 T87 F304 Y307L79-L83 PolarHBondContact O-N 3.29Å; S80-L83 WeakPolarHBondContact O-CB 3.37Å; S80-L83 PolarHBondContact O-N 2.79Å; S81-L83 VanDerWaalsContact C-N 3.29Å; S81-L83 PolarHBondContact O-N 3.48Å; L83-F85 VanDerWaalsContact C-N 3.28Å; L83-F85 PolarHBondContact O-N 2.98Å; L83-L86 PolarHBondContact O-N 3.37Å; L83-T87 WeakPolarHBondContact O-CG2 3.47Å; L83-T87 PolarHBondContact O-N 3.06Å; L83-T87 PolarHBondContact O-OG1 2.68Å; L83-F304 HydrophobicContact CD1-CB 4Å; L83-Y307 HydrophobicContact CD2-CE2 4.15Å; L83-Y307 HydrophobicContact CG-CD2 4.35Å; L83-Y307 HydrophobicContact CG-CE2 4.33Å
84L54.8Low54.8Low43 Ų4362.8 Ų62.823%0.22530%0.3CS..Hα-helixtrans-62.2-39.6172.9-65.4177.2000110.9L42 S80 S81 T87 F88L42-L84 HydrophobicContact CB-CD2 4.5Å; L42-L84 HydrophobicContact CD1-CD1 3.76Å; L42-L84 HydrophobicContact CD1-CD2 3.82Å; L42-L84 HydrophobicContact CD1-CG 4.37Å; S80-L84 PolarHBondContact O-N 3.41Å; S81-L84 PolarHBondContact O-N 3.06Å; L84-T87 WeakPolarHBondContact CA-OG1 3.42Å; L84-T87 PolarHBondContact O-OG1 3.05Å; L84-T87 VanDerWaalsContact O-OG1 3.07Å; L84-F88 WeakPolarHBondContact O-CB 3.36Å; L84-F88 PolarHBondContact O-N 3.27Å
85F56.8Low54.8Low130 Ų13059.8 Ų59.857%0.5728%0.284SS*.Hα-helixtrans-66.6-38.9177.4-166.8-124.2000112.1S81 S82 L83 I89S81-F85 WeakPolarHBondContact O-CB 3.43Å; S81-F85 PolarHBondContact O-N 3.08Å; S82-F85 PolarHBondContact O-N 3.33Å; L83-F85 VanDerWaalsContact C-N 3.28Å; L83-F85 PolarHBondContact O-N 2.98Å; F85-I89 HydrophobicContact CD1-CD1 3.65Å; F85-I89 HydrophobicContact CD2-CD1 4.46Å; F85-I89 HydrophobicContact CE1-CD1 3.43Å; F85-I89 VanDerWaalsContact CE1-CD1 3.43Å; F85-I89 HydrophobicContact CE1-CG1 4.44Å; F85-I89 HydrophobicContact CE2-CD1 4.27Å; F85-I89 HydrophobicContact CE2-CG1 4.48Å; F85-I89 HydrophobicContact CG-CD1 4.18Å; F85-I89 HydrophobicContact CZ-CD1 3.76Å; F85-I89 HydrophobicContact CZ-CG1 4.39Å; F85-I89 WeakPolarHBondContact O-CB 3.27Å; F85-I89 WeakPolarHBondContact O-CG1 3.32Å; F85-I89 PolarHBondContact O-N 2.86Å
86L53.8Low54.7Low29 Ų2960 Ų6015%0.15229%0.285CS..Hα-helixtrans-71.9-37.4175.5-105.779.5000113.6S82 L83 I89 T90 F304S82-L86 PolarHBondContact O-N 2.91Å; L83-L86 PolarHBondContact O-N 3.37Å; L86-I89 PolarHBondContact O-N 3.42Å; L86-T90 WeakPolarHBondContact O-CB 3.39Å; L86-T90 WeakPolarHBondContact O-CG2 3.26Å; L86-T90 PolarHBondContact O-N 2.99Å; L86-T90 PolarHBondContact O-OG1 3.35Å; L86-F304 HydrophobicContact CD1-CE2 3.97Å
87T53.7Low54.5Low38 Ų3859.4 Ų59.423%0.23329%0.285CS..Hα-helixtrans-69.8-37.5174.952.10000111.5L83 L84 T90 R91 Y307L83-T87 WeakPolarHBondContact O-CG2 3.47Å; L83-T87 PolarHBondContact O-N 3.06Å; L83-T87 PolarHBondContact O-OG1 2.68Å; L84-T87 WeakPolarHBondContact CA-OG1 3.42Å; L84-T87 PolarHBondContact O-OG1 3.05Å; L84-T87 VanDerWaalsContact O-OG1 3.07Å; T87-T90 WeakPolarHBondContact CA-OG1 3.29Å; T87-T90 PolarHBondContact O-OG1 3.4Å; T87-T90 VanDerWaalsContact O-OG1 3.1Å; T87-R91 WeakPolarHBondContact O-CG 3.48Å; T87-R91 PolarHBondContact O-N 3.04Å; T87-Y307 HydrophobicContact CG2-CE2 4.29Å; T87-Y307 WeakPolarHBondContact CG2-OH 3.46Å
88F53.4Low54.3Low113 Ų11360.7 Ų60.750%0.49630%0.297SS..Hα-helixtrans-62.4-50.6167.8-178.6-97.5000111.7L84 T90 R91 Y92L84-F88 WeakPolarHBondContact O-CB 3.36Å; L84-F88 PolarHBondContact O-N 3.27Å; F88-T90 PolarHBondContact O-N 3.02Å; F88-R91 PolarHBondContact O-N 2.76Å; F88-Y92 HydrophobicContact CE1-CD2 4.49Å; F88-Y92 HydrophobicContact CE1-CG 4.17Å; F88-Y92 HydrophobicContact CZ-CD2 4.17Å; F88-Y92 HydrophobicContact CZ-CG 4.28Å; F88-Y92 WeakPolarHBondContact O-CB 3.14Å; F88-Y92 PolarHBondContact O-N 2.79Å
89I55.2Low54Low42 Ų4257.8 Ų57.822%0.21529%0.292CS..Hα-helixtrans-54.8-49.1177.9-86.5175.2000111.3F85 L86 R91 K93F85-I89 HydrophobicContact CD1-CD1 3.65Å; F85-I89 HydrophobicContact CD2-CD1 4.46Å; F85-I89 HydrophobicContact CE1-CD1 3.43Å; F85-I89 VanDerWaalsContact CE1-CD1 3.43Å; F85-I89 HydrophobicContact CE1-CG1 4.44Å; F85-I89 HydrophobicContact CE2-CD1 4.27Å; F85-I89 HydrophobicContact CE2-CG1 4.48Å; F85-I89 HydrophobicContact CG-CD1 4.18Å; F85-I89 HydrophobicContact CZ-CD1 3.76Å; F85-I89 HydrophobicContact CZ-CG1 4.39Å; F85-I89 WeakPolarHBondContact O-CB 3.27Å; F85-I89 WeakPolarHBondContact O-CG1 3.32Å; F85-I89 PolarHBondContact O-N 2.86Å; L86-I89 PolarHBondContact O-N 3.42Å; I89-R91 PolarHBondContact O-N 2.77Å; I89-K93 HydrophobicContact CB-CD 4.35Å; I89-K93 HydrophobicContact CG2-CD 3.52Å; I89-K93 WeakPolarHBondContact O-CB 3.36Å; I89-K93 WeakPolarHBondContact O-CD 3.48Å; I89-K93 PolarHBondContact O-N 3.47Å
90T52.6Low54Low38 Ų3859.6 Ų59.623%0.23331%0.305CS..Hα-helixtrans-66.4-35.1-177.946.90000112.4L86 T87 F88 R94 M311L86-T90 WeakPolarHBondContact O-CB 3.39Å; L86-T90 WeakPolarHBondContact O-CG2 3.26Å; L86-T90 PolarHBondContact O-N 2.99Å; L86-T90 PolarHBondContact O-OG1 3.35Å; T87-T90 WeakPolarHBondContact CA-OG1 3.29Å; T87-T90 PolarHBondContact O-OG1 3.4Å; T87-T90 VanDerWaalsContact O-OG1 3.1Å; F88-T90 PolarHBondContact O-N 3.02Å; T90-R94 WeakPolarHBondContact O-CB 3.44Å; T90-R94 PolarHBondContact O-N 3.25Å; T90-M311 HydrophobicContact CG2-SD 3.85Å
91R53.7Low53.7Low77 Ų7760.6 Ų60.629%0.29131%0.308SS..Hα-helixtrans-76.4-44.4174.5-70.2-172.9-177.2-1658.5113.5S33 D38 T87 F88 I89 K93 R94 I95S33-R91 PolarHBondContact O-NH1 3.29Å; D38-R91 VanDerWaalsContact CG-CZ 3.5Å; D38-R91 VanDerWaalsContact CG-NH1 3.27Å; D38-R91 IonicContact OD1-CZ 3.52Å; D38-R91 IonicContact OD1-NH1 3.43Å; D38-R91 IonicContact OD1-NH2 3.73Å; D38-R91 PolarHBondContact OD1-NH2 2.87Å; D38-R91 IonicContact OD2-CZ 3.02Å; D38-R91 VanDerWaalsContact OD2-CZ 3.22Å; D38-R91 IonicContact OD2-NH1 3.34Å; D38-R91 PolarHBondContact OD2-NH1 2.9Å; D38-R91 IonicContact OD2-NH2 3.12Å; D38-R91 PolarHBondContact OD2-NH2 3.26Å; T87-R91 WeakPolarHBondContact O-CG 3.48Å; T87-R91 PolarHBondContact O-N 3.04Å; F88-R91 PolarHBondContact O-N 2.76Å; I89-R91 PolarHBondContact O-N 2.77Å; R91-K93 VanDerWaalsContact C-N 3.32Å; R91-K93 PolarHBondContact O-N 2.96Å; R91-R94 WeakPolarHBondContact O-CA 3.5Å; R91-R94 WeakPolarHBondContact O-CB 3.46Å; R91-R94 PolarHBondContact O-N 2.9Å; R91-I95 PolarHBondContact O-N 3.5Å
92Y53Low53.7Low128 Ų12859.9 Ų59.950%0.50230%0.298SS..Hα-helixtrans-60.9-42.6175.7-172.3-112.6000110.7F88 I95 I96F88-Y92 HydrophobicContact CE1-CD2 4.49Å; F88-Y92 HydrophobicContact CE1-CG 4.17Å; F88-Y92 HydrophobicContact CZ-CD2 4.17Å; F88-Y92 HydrophobicContact CZ-CG 4.28Å; F88-Y92 WeakPolarHBondContact O-CB 3.14Å; F88-Y92 PolarHBondContact O-N 2.79Å; Y92-I95 PolarHBondContact O-N 3.22Å; Y92-I96 HydrophobicContact CD1-CD1 3.72Å; Y92-I96 HydrophobicContact CE1-CD1 3.32Å; Y92-I96 HydrophobicContact CE2-CD1 4.27Å; Y92-I96 HydrophobicContact CG-CD1 4.35Å; Y92-I96 WeakPolarHBondContact O-CB 3.38Å; Y92-I96 WeakPolarHBondContact O-CG1 3.36Å; Y92-I96 PolarHBondContact O-N 3.42Å
93K51.6Low53.4Low65 Ų6565.1 Ų65.128%0.28332%0.319SS..Hα-helixtrans-68.5-26.2169.5-84119.5153.6-87.10114I89 R91 S97I89-K93 HydrophobicContact CB-CD 4.35Å; I89-K93 HydrophobicContact CG2-CD 3.52Å; I89-K93 WeakPolarHBondContact O-CB 3.36Å; I89-K93 WeakPolarHBondContact O-CD 3.48Å; I89-K93 PolarHBondContact O-N 3.47Å; R91-K93 VanDerWaalsContact C-N 3.32Å; R91-K93 PolarHBondContact O-N 2.96Å; K93-S97 WeakPolarHBondContact O-CA 3.3Å; K93-S97 WeakPolarHBondContact O-CB 3.48Å; K93-S97 PolarHBondContact O-N 3.39Å
94R51.3Low53.4Low105 Ų10565.5 Ų65.540%0.39632%0.323SS..Hα-helixtrans-66.3-47.2169.6-121-179-169.9-179.93.6111.7T90 R91 S97 S98 V382T90-R94 WeakPolarHBondContact O-CB 3.44Å; T90-R94 PolarHBondContact O-N 3.25Å; R91-R94 WeakPolarHBondContact O-CA 3.5Å; R91-R94 WeakPolarHBondContact O-CB 3.46Å; R91-R94 PolarHBondContact O-N 2.9Å; R94-S97 PolarHBondContact O-N 3.01Å; R94-S98 PolarHBondContact O-N 3.29Å; R94-S98 VanDerWaalsContact O-N 3.17Å; R94-S98 PolarHBondContact O-OG 3.45Å; R94-V382 HydrophobicContact CG-CG1 4.3Å; R94-V382 HydrophobicContact CG-CG2 4.34Å
95I53.2Low53.6Low49 Ų4964.2 Ų64.225%0.25132%0.315SS..Hα-helixtrans-63-46176.3-63.2168.5000110.2R91 Y92 S97 S98 C99R91-I95 PolarHBondContact O-N 3.5Å; Y92-I95 PolarHBondContact O-N 3.22Å; I95-S97 PolarHBondContact O-N 2.96Å; I95-S98 PolarHBondContact O-N 3.27Å; I95-C99 PolarHBondContact O-N 3.42Å
96I53.8Low53.7Low73 Ų7359.7 Ų59.737%0.37430%0.297SS..Hα-helixtrans-65.2-35.7174.9-73.9176.9000111.8Y92 S98 C99 S100Y92-I96 HydrophobicContact CD1-CD1 3.72Å; Y92-I96 HydrophobicContact CE1-CD1 3.32Å; Y92-I96 HydrophobicContact CE2-CD1 4.27Å; Y92-I96 HydrophobicContact CG-CD1 4.35Å; Y92-I96 WeakPolarHBondContact O-CB 3.38Å; Y92-I96 WeakPolarHBondContact O-CG1 3.36Å; Y92-I96 PolarHBondContact O-N 3.42Å; I96-S98 PolarHBondContact O-N 2.81Å; I96-C99 PolarHBondContact O-N 2.84Å; I96-S100 WeakPolarHBondContact O-CA 3.37Å; I96-S100 WeakPolarHBondContact O-CB 3.48Å; I96-S100 PolarHBondContact O-N 3.14Å
97S51Low54.1Low20 Ų2063.5 Ų63.514%0.1431%0.309CS..Hα-helixtrans-61.2-46.8177.6-173.90000110.3K93 R94 I95 C99 S100 K101K93-S97 WeakPolarHBondContact O-CA 3.3Å; K93-S97 WeakPolarHBondContact O-CB 3.48Å; K93-S97 PolarHBondContact O-N 3.39Å; R94-S97 PolarHBondContact O-N 3.01Å; I95-S97 PolarHBondContact O-N 2.96Å; S97-C99 PolarHBondContact O-N 3.2Å; S97-S100 PolarHBondContact O-N 3.43Å; S97-K101 VanDerWaalsContact O-CB 3.22Å; S97-K101 WeakPolarHBondContact O-CB 3.35Å; S97-K101 VanDerWaalsContact O-CG 3.23Å; S97-K101 WeakPolarHBondContact O-CG 3.24Å; S97-K101 PolarHBondContact O-N 3.38Å
98S51.9Low54.3Low82 Ų8263.1 Ų63.157%0.57331%0.308SS*.Hα-helixtrans-57.4-48.6174.5-59.40000112.7R94 I95 I96 F102R94-S98 PolarHBondContact O-N 3.29Å; R94-S98 VanDerWaalsContact O-N 3.17Å; R94-S98 PolarHBondContact O-OG 3.45Å; I95-S98 PolarHBondContact O-N 3.27Å; I96-S98 PolarHBondContact O-N 2.81Å; S98-F102 WeakPolarHBondContact O-CB 3.4Å; S98-F102 PolarHBondContact O-N 3.37Å
99C51.4Low54.8Low74 Ų7458.6 Ų58.650%0.529%0.288SS..Hα-helixtrans-70.8-32.7179.1-65.70000113.5I95 I96 S97 K103I95-C99 PolarHBondContact O-N 3.42Å; I96-C99 PolarHBondContact O-N 2.84Å; S97-C99 PolarHBondContact O-N 3.2Å; C99-K103 WeakPolarHBondContact O-CB 3.46Å; C99-K103 PolarHBondContact O-N 3.11Å
100S53.2Low55.2Low42 Ų4259.7 Ų59.729%0.29430%0.297SS..Hα-helixtrans-74.7-39.1178.6-1730000111.1I96 S97 K103 T104I96-S100 WeakPolarHBondContact O-CA 3.37Å; I96-S100 WeakPolarHBondContact O-CB 3.48Å; I96-S100 PolarHBondContact O-N 3.14Å; S97-S100 PolarHBondContact O-N 3.43Å; S100-K103 CarbonylContact O-C 3.38Å; S100-K103 PolarHBondContact O-N 3.2Å; S100-T104 VanDerWaalsContact O-CB 3.26Å; S100-T104 WeakPolarHBondContact O-CB 3.39Å; S100-T104 PolarHBondContact O-N 3.23Å; S100-T104 PolarHBondContact O-OG1 3.13Å
101K51.4Low55.6Low35 Ų3559.9 Ų59.915%0.15230%0.302CS..Hα-helixtrans-63.5-43.2169.7-76.9178.7170.6-160.80111.5S97 K103 T104 F105 D381 D383S97-K101 VanDerWaalsContact O-CB 3.22Å; S97-K101 WeakPolarHBondContact O-CB 3.35Å; S97-K101 VanDerWaalsContact O-CG 3.23Å; S97-K101 WeakPolarHBondContact O-CG 3.24Å; S97-K101 PolarHBondContact O-N 3.38Å; K101-K103 VanDerWaalsContact C-N 3.33Å; K101-K103 PolarHBondContact O-N 3.19Å; K101-T104 PolarHBondContact O-N 2.96Å; K101-F105 WeakPolarHBondContact O-CB 3.45Å; K101-F105 PolarHBondContact O-N 2.97Å; K101-D381 WeakPolarHBondContact CE-OD1 3.42Å; K101-D381 WeakPolarHBondContact CE-OD2 3.29Å; K101-D381 IonicContact NZ-OD1 3.27Å; K101-D381 PolarHBondContact NZ-OD1 3.21Å; K101-D381 IonicContact NZ-OD2 2.66Å; K101-D381 PolarHBondContact NZ-OD2 2.93Å; K101-D383 IonicContact NZ-OD1 3.06Å; K101-D383 IonicContact NZ-OD2 3.6Å; K101-D383 PolarHBondContact NZ-OD2 3.47Å
102F55Low56Low36 Ų3657.2 Ų57.216%0.15829%0.293CS..Hα-helixtrans-59.2-44.8172.2-172.1-90.7000111.6M17 L21 S98 T104 L106 F230M17-F102 HydrophobicContact CG-CZ 4.15Å; M17-F102 HydrophobicContact SD-CZ 4.39Å; L21-F102 HydrophobicContact CD1-CE1 3.4Å; L21-F102 HydrophobicContact CD1-CZ 3.57Å; L21-F102 HydrophobicContact CD2-CD1 4.34Å; L21-F102 HydrophobicContact CD2-CE1 3.68Å; L21-F102 HydrophobicContact CD2-CE2 4.27Å; L21-F102 HydrophobicContact CD2-CZ 3.67Å; L21-F102 HydrophobicContact CG-CE1 4.08Å; L21-F102 HydrophobicContact CG-CZ 3.95Å; S98-F102 WeakPolarHBondContact O-CB 3.4Å; S98-F102 PolarHBondContact O-N 3.37Å; F102-T104 PolarHBondContact O-N 2.96Å; F102-L106 HydrophobicContact CD1-CD1 3.87Å; F102-L106 HydrophobicContact CD1-CG 4.22Å; F102-L106 HydrophobicContact CE1-CD1 3.42Å; F102-L106 VanDerWaalsContact CE1-CD1 3.42Å; F102-L106 HydrophobicContact CE1-CD2 4.44Å; F102-L106 HydrophobicContact CE1-CG 3.83Å; F102-L106 HydrophobicContact CZ-CD1 4.27Å; F102-L106 HydrophobicContact CZ-CG 4.3Å; F102-L106 WeakPolarHBondContact O-CB 3.49Å; F102-L106 WeakPolarHBondContact O-CG 3.4Å; F102-L106 PolarHBondContact O-N 3.47Å; F102-F230 AromaticContact CD2-CD1 3.86Å; F102-F230 HydrophobicContact CD2-CD1 3.86Å; F102-F230 AromaticContact CD2-CE1 3.55Å; F102-F230 HydrophobicContact CD2-CE1 3.55Å; F102-F230 AromaticContact CD2-CZ 3.97Å; F102-F230 HydrophobicContact CD2-CZ 3.97Å; F102-F230 AromaticContact CE2-CD1 3.78Å; F102-F230 HydrophobicContact CE2-CD1 3.78Å; F102-F230 HydrophobicContact CE2-CD2 4.02Å; F102-F230 AromaticContact CE2-CE1 3.47Å; F102-F230 HydrophobicContact CE2-CE1 3.47Å; F102-F230 VanDerWaalsContact CE2-CE1 3.47Å; F102-F230 AromaticContact CE2-CE2 3.71Å; F102-F230 HydrophobicContact CE2-CE2 3.71Å; F102-F230 HydrophobicContact CE2-CG 4.07Å; F102-F230 AromaticContact CE2-CZ 3.44Å; F102-F230 HydrophobicContact CE2-CZ 3.44Å; F102-F230 VanDerWaalsContact CE2-CZ 3.44Å; F102-F230 HydrophobicContact CZ-CE2 4.49Å; F102-F230 HydrophobicContact CZ-CZ 4.43Å
103K55.1Low56.2Low123 Ų12354.5 Ų54.554%0.53528%0.284SS..Hα-helixtrans-66.7-32.3175.6-170.9174.1-175.9173.90113.8C99 S100 K101 R107C99-K103 WeakPolarHBondContact O-CB 3.46Å; C99-K103 PolarHBondContact O-N 3.11Å; S100-K103 CarbonylContact O-C 3.38Å; S100-K103 PolarHBondContact O-N 3.2Å; K101-K103 VanDerWaalsContact C-N 3.33Å; K101-K103 PolarHBondContact O-N 3.19Å; K103-R107 WeakPolarHBondContact O-CB 3.37Å; K103-R107 VanDerWaalsContact O-CG 3.25Å; K103-R107 WeakPolarHBondContact O-CG 3.47Å; K103-R107 PolarHBondContact O-N 3.23Å
104T55.3Low56.6Low34 Ų3458.4 Ų58.421%0.20930%0.297CS..Hα-helixtrans-78.8-41.4178.4-59.90000110.8S100 K101 F102 R107 S108 H344S100-T104 VanDerWaalsContact O-CB 3.26Å; S100-T104 WeakPolarHBondContact O-CB 3.39Å; S100-T104 PolarHBondContact O-N 3.23Å; S100-T104 PolarHBondContact O-OG1 3.13Å; K101-T104 PolarHBondContact O-N 2.96Å; F102-T104 PolarHBondContact O-N 2.96Å; T104-R107 PolarHBondContact O-N 3.09Å; T104-S108 WeakPolarHBondContact O-CB 3.34Å; T104-S108 PolarHBondContact O-N 3.24Å; T104-S108 PolarHBondContact O-OG 3Å; T104-S108 VanDerWaalsContact O-OG 3.06Å; T104-H344 WeakPolarHBondContact CG2-O 3.42Å
105F58.9Low56.8Low15 Ų1558.5 Ų58.57%0.06631%0.305CS..Hα-helixtrans-54.5-53.6166.8171-92.1000110.4K101 R107 S108 F109 L226 F230 L1327 V1328K101-F105 WeakPolarHBondContact O-CB 3.45Å; K101-F105 PolarHBondContact O-N 2.97Å; F105-R107 VanDerWaalsContact C-N 3.32Å; F105-R107 PolarHBondContact O-N 3.19Å; F105-S108 PolarHBondContact O-N 3.07Å; F105-F109 HydrophobicContact CE1-CD2 4.44Å; F105-F109 AromaticContact CZ-CD2 3.94Å; F105-F109 HydrophobicContact CZ-CD2 3.94Å; F105-F109 HydrophobicContact CZ-CE2 4.42Å; F105-F109 HydrophobicContact CZ-CG 4.5Å; F105-F109 WeakPolarHBondContact O-CB 3.22Å; F105-F109 PolarHBondContact O-N 3.36Å; F105-L226 HydrophobicContact CE1-CD1 4.39Å; F105-L226 HydrophobicContact CE1-CD2 4.29Å; F105-L226 HydrophobicContact CE2-CD2 4.28Å; F105-L226 HydrophobicContact CZ-CD1 4.11Å; F105-L226 HydrophobicContact CZ-CD2 3.58Å; F105-F230 HydrophobicContact CD1-CZ 4.05Å; F105-F230 AromaticContact CE1-CZ 3.78Å; F105-F230 HydrophobicContact CE1-CZ 3.78Å; F105-F230 HydrophobicContact CZ-CZ 4.41Å; F105-L1327 HydrophobicContact CD2-CB 3.89Å; F105-L1327 VanDerWaalsContact CD2-O 3.24Å; F105-L1327 WeakPolarHBondContact CD2-O 3.36Å; F105-L1327 HydrophobicContact CE2-CB 3.63Å; F105-V1328 HydrophobicContact CE2-CG2 4.15Å
106L59.3Low56.8Low35 Ų3557.8 Ų57.818%0.18330%0.301CS..Hα-helixtrans-54.1-46.6174.6-81.9-178.7000112.1M17 F102 V110M17-L106 HydrophobicContact CE-CD2 3.36Å; M17-L106 HydrophobicContact SD-CD2 3.55Å; M17-L106 VanDerWaalsContact SD-CD2 3.55Å; F102-L106 HydrophobicContact CD1-CD1 3.87Å; F102-L106 HydrophobicContact CD1-CG 4.22Å; F102-L106 HydrophobicContact CE1-CD1 3.42Å; F102-L106 VanDerWaalsContact CE1-CD1 3.42Å; F102-L106 HydrophobicContact CE1-CD2 4.44Å; F102-L106 HydrophobicContact CE1-CG 3.83Å; F102-L106 HydrophobicContact CZ-CD1 4.27Å; F102-L106 HydrophobicContact CZ-CG 4.3Å; F102-L106 WeakPolarHBondContact O-CB 3.49Å; F102-L106 WeakPolarHBondContact O-CG 3.4Å; F102-L106 PolarHBondContact O-N 3.47Å; L106-V110 VanDerWaalsContact O-CB 3.25Å; L106-V110 WeakPolarHBondContact O-CB 3.41Å; L106-V110 WeakPolarHBondContact O-CG2 3.28Å; L106-V110 PolarHBondContact O-N 3.34Å
107R61.8Low56.7Low109 Ų10958.9 Ų58.941%0.41131%0.308SS..Hα-helixtrans-62.9-46.7178.2-82173169-164.8-4.2112.4K103 T104 F105 A111 T343K103-R107 WeakPolarHBondContact O-CB 3.37Å; K103-R107 VanDerWaalsContact O-CG 3.25Å; K103-R107 WeakPolarHBondContact O-CG 3.47Å; K103-R107 PolarHBondContact O-N 3.23Å; T104-R107 PolarHBondContact O-N 3.09Å; F105-R107 VanDerWaalsContact C-N 3.32Å; F105-R107 PolarHBondContact O-N 3.19Å; R107-A111 WeakPolarHBondContact O-CB 3.36Å; R107-A111 PolarHBondContact O-N 3.17Å; R107-T343 PolarHBondContact NH1-O 3.49Å
108S58.9Low56.7Low30 Ų3060 Ų6021%0.2131%0.314CS..Hα-helixtrans-66.7-41179.4-61.60000111.7T104 F105 A111 F112T104-S108 WeakPolarHBondContact O-CB 3.34Å; T104-S108 PolarHBondContact O-N 3.24Å; T104-S108 PolarHBondContact O-OG 3Å; T104-S108 VanDerWaalsContact O-OG 3.06Å; F105-S108 PolarHBondContact O-N 3.07Å; S108-A111 PolarHBondContact O-N 3.27Å; S108-F112 VanDerWaalsContact O-CB 3.22Å; S108-F112 WeakPolarHBondContact O-CB 3.18Å; S108-F112 PolarHBondContact O-N 3.06Å
109F63.1Low56.4Low18 Ų1863.3 Ų63.38%0.07933%0.326CS..Hα-helixtrans-63.3-50.6175-169.1-91.2000110.9F105 A111 F112 F113 L222 L1324 L1327F105-F109 HydrophobicContact CE1-CD2 4.44Å; F105-F109 AromaticContact CZ-CD2 3.94Å; F105-F109 HydrophobicContact CZ-CD2 3.94Å; F105-F109 HydrophobicContact CZ-CE2 4.42Å; F105-F109 HydrophobicContact CZ-CG 4.5Å; F105-F109 WeakPolarHBondContact O-CB 3.22Å; F105-F109 PolarHBondContact O-N 3.36Å; F109-A111 PolarHBondContact O-N 2.92Å; F109-F112 WeakPolarHBondContact O-CB 3.34Å; F109-F112 PolarHBondContact O-N 3.49Å; F109-F113 AromaticContact CD1-CD2 3.85Å; F109-F113 HydrophobicContact CD1-CD2 3.85Å; F109-F113 AromaticContact CD1-CE2 3.99Å; F109-F113 HydrophobicContact CD1-CE2 3.99Å; F109-F113 HydrophobicContact CD2-CE2 4.18Å; F109-F113 AromaticContact CE1-CD2 3.8Å; F109-F113 HydrophobicContact CE1-CD2 3.8Å; F109-F113 AromaticContact CE1-CE2 3.6Å; F109-F113 HydrophobicContact CE1-CE2 3.6Å; F109-F113 AromaticContact CE2-CE2 3.81Å; F109-F113 HydrophobicContact CE2-CE2 3.81Å; F109-F113 HydrophobicContact CG-CD2 4.28Å; F109-F113 HydrophobicContact CG-CE2 4.27Å; F109-F113 HydrophobicContact CZ-CD2 4.19Å; F109-F113 AromaticContact CZ-CE2 3.51Å; F109-F113 HydrophobicContact CZ-CE2 3.51Å; F109-F113 HydrophobicContact CZ-CZ 4.38Å; F109-F113 VanDerWaalsContact O-CD2 3.28Å; F109-F113 WeakPolarHBondContact O-CD2 3.17Å; F109-F113 PolarHBondContact O-N 3.31Å; F109-L222 HydrophobicContact CE2-CD2 4.3Å; F109-L222 HydrophobicContact CZ-CD2 4.14Å; F109-L1324 HydrophobicContact CD2-CD2 4.32Å; F109-L1324 HydrophobicContact CE2-CD2 4.15Å; F109-L1327 HydrophobicContact CB-CD1 4.45Å; F109-L1327 HydrophobicContact CD2-CD1 4.13Å
110V62.9Low55.8Low65 Ų6562 Ų6239%0.39431%0.313SS..Hα-helixtrans-65-36.6176.6170.70000112.1L106 R114L106-V110 VanDerWaalsContact O-CB 3.25Å; L106-V110 WeakPolarHBondContact O-CB 3.41Å; L106-V110 WeakPolarHBondContact O-CG2 3.28Å; L106-V110 PolarHBondContact O-N 3.34Å; V110-R114 WeakPolarHBondContact O-CB 3.32Å; V110-R114 PolarHBondContact O-N 3.37Å
111A61.8Low55.7Low42 Ų4261.6 Ų61.635%0.34731%0.307SS..Hα-helixtrans-68.1-40.4174.900000111.9R107 S108 F109 R114 N115R107-A111 WeakPolarHBondContact O-CB 3.36Å; R107-A111 PolarHBondContact O-N 3.17Å; S108-A111 PolarHBondContact O-N 3.27Å; F109-A111 PolarHBondContact O-N 2.92Å; A111-R114 PolarHBondContact O-N 3.4Å; A111-N115 WeakPolarHBondContact O-CB 3.29Å; A111-N115 VanDerWaalsContact O-CG 3.3Å; A111-N115 PolarHBondContact O-N 3.11Å; A111-N115 PolarHBondContact O-OD1 3.24Å
112F61.5Low55.5Low21 Ų2161.7 Ų61.79%0.09231%0.312CS..Hα-helixtrans-58.6-54.1173.2-179-97000110.8S108 F109 R114 N115 M116 L334 I1320 L1324S108-F112 VanDerWaalsContact O-CB 3.22Å; S108-F112 WeakPolarHBondContact O-CB 3.18Å; S108-F112 PolarHBondContact O-N 3.06Å; F109-F112 WeakPolarHBondContact O-CB 3.34Å; F109-F112 PolarHBondContact O-N 3.49Å; F112-R114 PolarHBondContact O-N 2.89Å; F112-N115 PolarHBondContact O-N 3.3Å; F112-N115 VanDerWaalsContact O-N 3.15Å; F112-M116 HydrophobicContact CD1-CG 4.16Å; F112-M116 HydrophobicContact CE1-CG 3.81Å; F112-M116 HydrophobicContact CE1-SD 4.29Å; F112-M116 HydrophobicContact CE2-CG 4.42Å; F112-M116 HydrophobicContact CE2-SD 4.42Å; F112-M116 HydrophobicContact CZ-CG 3.94Å; F112-M116 HydrophobicContact CZ-SD 3.9Å; F112-M116 VanDerWaalsContact O-CG 3.27Å; F112-M116 WeakPolarHBondContact O-CG 3.38Å; F112-M116 PolarHBondContact O-N 3Å; F112-L334 HydrophobicContact CD2-CD1 4.32Å; F112-I1320 HydrophobicContact CE1-CG2 4.29Å; F112-I1320 HydrophobicContact CZ-CG1 4.38Å; F112-I1320 HydrophobicContact CZ-CG2 3.98Å; F112-L1324 HydrophobicContact CD1-CD2 4.15Å; F112-L1324 HydrophobicContact CE1-CD2 4.14Å
113F58.9Low55.3Low72 Ų7262.5 Ų62.532%0.31632%0.315SS..Hα-helixtrans-66.7-16.8176-77.4-73.4000114.4F109 L1324F109-F113 AromaticContact CD1-CD2 3.85Å; F109-F113 HydrophobicContact CD1-CD2 3.85Å; F109-F113 AromaticContact CD1-CE2 3.99Å; F109-F113 HydrophobicContact CD1-CE2 3.99Å; F109-F113 HydrophobicContact CD2-CE2 4.18Å; F109-F113 AromaticContact CE1-CD2 3.8Å; F109-F113 HydrophobicContact CE1-CD2 3.8Å; F109-F113 AromaticContact CE1-CE2 3.6Å; F109-F113 HydrophobicContact CE1-CE2 3.6Å; F109-F113 AromaticContact CE2-CE2 3.81Å; F109-F113 HydrophobicContact CE2-CE2 3.81Å; F109-F113 HydrophobicContact CG-CD2 4.28Å; F109-F113 HydrophobicContact CG-CE2 4.27Å; F109-F113 HydrophobicContact CZ-CD2 4.19Å; F109-F113 AromaticContact CZ-CE2 3.51Å; F109-F113 HydrophobicContact CZ-CE2 3.51Å; F109-F113 HydrophobicContact CZ-CZ 4.38Å; F109-F113 VanDerWaalsContact O-CD2 3.28Å; F109-F113 WeakPolarHBondContact O-CD2 3.17Å; F109-F113 PolarHBondContact O-N 3.31Å; F113-L1324 HydrophobicContact CE2-CD2 4.16Å; F113-L1324 HydrophobicContact CZ-CD2 4.39Å
114R60.2Low54.9Low147 Ų14758 Ų5856%0.55530%0.299SS*.Hα-helixtrans-82.1-32.5171.9176.9165.7-177176.40.3113.2M1 V110 A111 F112M1-R114 HydrophobicContact CE-CB 4.03Å; M1-R114 HydrophobicContact CE-CG 4.43Å; M1-R114 HydrophobicContact SD-CB 3.97Å; M1-R114 HydrophobicContact SD-CG 3.71Å; V110-R114 WeakPolarHBondContact O-CB 3.32Å; V110-R114 PolarHBondContact O-N 3.37Å; A111-R114 PolarHBondContact O-N 3.4Å; F112-R114 PolarHBondContact O-N 2.89Å
115N55.4Low54.2Low107 Ų10761 Ų6157%0.57232%0.319SS*.Hα-helixtrans-90.6-18.8-179.1-66.74.4000112.7A111 F112 N117A111-N115 WeakPolarHBondContact O-CB 3.29Å; A111-N115 VanDerWaalsContact O-CG 3.3Å; A111-N115 PolarHBondContact O-N 3.11Å; A111-N115 PolarHBondContact O-OD1 3.24Å; F112-N115 PolarHBondContact O-N 3.3Å; F112-N115 VanDerWaalsContact O-N 3.15Å; N115-N117 PolarHBondContact O-N 3.02Å
116M52.7Low53.5Low33 Ų3364.4 Ų64.416%0.16334%0.344CS..  trans-65.389.6170-77.7-70.2-7100111.4F112 L121 I1320F112-M116 HydrophobicContact CD1-CG 4.16Å; F112-M116 HydrophobicContact CE1-CG 3.81Å; F112-M116 HydrophobicContact CE1-SD 4.29Å; F112-M116 HydrophobicContact CE2-CG 4.42Å; F112-M116 HydrophobicContact CE2-SD 4.42Å; F112-M116 HydrophobicContact CZ-CG 3.94Å; F112-M116 HydrophobicContact CZ-SD 3.9Å; F112-M116 VanDerWaalsContact O-CG 3.27Å; F112-M116 WeakPolarHBondContact O-CG 3.38Å; F112-M116 PolarHBondContact O-N 3Å; M116-L121 HydrophobicContact CE-CD1 4.04Å; M116-L121 HydrophobicContact CE-CD2 4.04Å; M116-L121 HydrophobicContact CE-CG 3.95Å; M116-I1320 HydrophobicContact CE-CD1 3.71Å; M116-I1320 HydrophobicContact CE-CG1 4.41Å; M116-I1320 HydrophobicContact SD-CD1 4.35Å
117N51.5Low53Low96 Ų9663.9 Ų63.951%0.51334%0.341SS..  trans-67.1134.5163.7-86.6-27.2000109.5N115 N119 M120N115-N117 PolarHBondContact O-N 3.02Å; N117-N119 PolarHBondContact O-N 3.29Å; N117-M120 HydrophobicContact CB-CG 3.91Å; N117-M120 WeakPolarHBondContact O-CB 3.12Å; N117-M120 PolarHBondContact O-N 3.05Å
118P50.9Low52Low43 Ų4364.4 Ų64.428%0.27935%0.352SS..G310 helixtrans-61.8-32.6-175.724.8-34000112.7M120 L121P118-M120 PolarHBondContact O-N 3.27Å; P118-M120 VanDerWaalsContact O-N 3.15Å; P118-L121 PolarHBondContact O-N 2.97Å
119N45.4Very low51.4Low153 Ų15364 Ų6482%0.81835%0.353SS*.G310 helixtrans-69.5-7.1178.9-5719.7000114N117N117-N119 PolarHBondContact O-N 3.29Å
120M39.9Very low50.6Low45 Ų4564.9 Ų64.922%0.22236%0.358CS..G310 helixtrans-85.3-8.8178.2-66.9-81.4-168.500113.6N117 P118 S122 T1312 F1315N117-M120 HydrophobicContact CB-CG 3.91Å; N117-M120 WeakPolarHBondContact O-CB 3.12Å; N117-M120 PolarHBondContact O-N 3.05Å; P118-M120 PolarHBondContact O-N 3.27Å; P118-M120 VanDerWaalsContact O-N 3.15Å; M120-S122 PolarHBondContact O-N 3.36Å; M120-S122 VanDerWaalsContact O-N 3.1Å; M120-T1312 HydrophobicContact CE-CG2 4.05Å; M120-F1315 PolarHBondContact O-N 3.27Å
121L49.5Very low49.9Very low34 Ų3462.8 Ų62.818%0.17835%0.347CS..  trans-8283.6-176.5-84.5153.9000111.3L5 M116 P118 Y123 T1317 I1320L5-L121 HydrophobicContact CD1-CD1 3.99Å; M116-L121 HydrophobicContact CE-CD1 4.04Å; M116-L121 HydrophobicContact CE-CD2 4.04Å; M116-L121 HydrophobicContact CE-CG 3.95Å; P118-L121 PolarHBondContact O-N 2.97Å; L121-Y123 PolarHBondContact O-N 2.98Å; L121-Y123 VanDerWaalsContact O-N 3.07Å; L121-T1317 HydrophobicContact CD2-CG2 4.34Å; L121-I1320 HydrophobicContact CD2-CD1 3.69Å
122S48.1Very low49.2Very low37 Ų3762.1 Ų62.126%0.25934%0.337SS..  trans-70.799.5166.357.40000110.1M120 S124M120-S122 PolarHBondContact O-N 3.36Å; M120-S122 VanDerWaalsContact O-N 3.1Å; S122-S124 PolarHBondContact O-N 3.14Å; S122-S124 VanDerWaalsContact O-N 3.1Å
123Y50.3Low48.7Very low53 Ų5363.5 Ų63.521%0.20834%0.344CS..  trans-62.4108.9168.3-59.5-52000109.4L121 P125 R144 D145 V149 T1317L121-Y123 PolarHBondContact O-N 2.98Å; L121-Y123 VanDerWaalsContact O-N 3.07Å; Y123-P125 VanDerWaalsContact O-CD 3.22Å; Y123-P125 WeakPolarHBondContact O-CD 3.28Å; Y123-R144 WeakPolarHBondContact OH-CD 3.33Å; Y123-D145 WeakPolarHBondContact CE2-OD2 3.04Å; Y123-D145 PolarHBondContact OH-OD2 3.05Å; Y123-V149 HydrophobicContact CD1-CB 4.37Å; Y123-V149 HydrophobicContact CD1-CG1 3.49Å; Y123-V149 VanDerWaalsContact CD1-CG1 3.49Å; Y123-V149 HydrophobicContact CD1-CG2 3.96Å; Y123-V149 HydrophobicContact CD2-CG2 3.86Å; Y123-V149 HydrophobicContact CE1-CG1 4.07Å; Y123-V149 HydrophobicContact CE1-CG2 4.29Å; Y123-V149 HydrophobicContact CE2-CG2 4.21Å; Y123-V149 HydrophobicContact CG-CG1 3.91Å; Y123-V149 HydrophobicContact CG-CG2 3.72Å; Y123-T1317 HydrophobicContact CD1-CG2 4.3Å
124S46.6Very low48.3Very low30 Ų3060.1 Ų60.121%0.2133%0.329CS..  trans-62.9113.9-172.956.30000111.7S122 C126S122-S124 PolarHBondContact O-N 3.14Å; S122-S124 VanDerWaalsContact O-N 3.1Å; S124-C126 PolarHBondContact O-N 3Å
125P40.7Very low48Very low96 Ų9653.4 Ų53.462%0.62330%0.304SS*.G310 helixtrans-68.7-17.7-175.3-21.134.1000114.3Y123 L127 N128Y123-P125 VanDerWaalsContact O-CD 3.22Å; Y123-P125 WeakPolarHBondContact O-CD 3.28Å; P125-L127 PolarHBondContact O-N 3.12Å; P125-N128 PolarHBondContact O-ND2 3.43Å; P125-N128 VanDerWaalsContact O-ND2 3.14Å
126C43.4Very low47.9Very low87 Ų8748.5 Ų48.559%0.58828%0.279SS*.G310 helixtrans-86.75.2-158.6-48.80000115.6S124 S1268S124-C126 PolarHBondContact O-N 3Å; C126-S1268 PolarHBondContact O-OG 2.68Å
127L49.6Very low48.4Very low23 Ų2347.6 Ų47.612%0.1228%0.275CS..G310 helixtrans-107.48-177-65169.9000113.8P125 G129 L130 F1318P125-L127 PolarHBondContact O-N 3.12Å; L127-G129 VanDerWaalsContact C-N 3.3Å; L127-G129 PolarHBondContact O-N 3.1Å; L127-L130 HydrophobicContact CD2-CD1 3.46Å; L127-L130 VanDerWaalsContact CD2-CD1 3.46Å; L127-L130 PolarHBondContact O-N 2.99Å; L127-F1318 HydrophobicContact CD1-CD2 4.01Å; L127-F1318 HydrophobicContact CD1-CE2 3.22Å; L127-F1318 HydrophobicContact CD1-CZ 3.55Å
128N41.3Very low49.4Very low120 Ų12043.4 Ų43.464%0.64225%0.253SS*.THydrogen-bonded Turntrans-7079.2179.4-73.6-35.5000112P125P125-N128 PolarHBondContact O-ND2 3.43Å; P125-N128 VanDerWaalsContact O-ND2 3.14Å
129G45.6Very low50.4Low23 Ų2341.8 Ų41.824%0.23724%0.242CC..THydrogen-bonded Turntrans159.5-11.8178.100000114.7L127 S131 T594L127-G129 VanDerWaalsContact C-N 3.3Å; L127-G129 PolarHBondContact O-N 3.1Å; G129-S131 PolarHBondContact O-N 3.19Å; G129-T594 WeakPolarHBondContact O-CB 3.48Å; G129-T594 WeakPolarHBondContact O-CG2 3.43Å
130L46.1Very low51.8Low35 Ų3534.6 Ų34.618%0.18320%0.203CC..  trans-85110178.8-77.5147000111.6L127 P1266L127-L130 HydrophobicContact CD2-CD1 3.46Å; L127-L130 VanDerWaalsContact CD2-CD1 3.46Å; L127-L130 PolarHBondContact O-N 2.99Å; L130-P1266 HydrophobicContact CD1-CG 3.73Å; L130-P1266 HydrophobicContact CD2-CB 4.43Å; L130-P1266 HydrophobicContact CD2-CG 3.65Å; L130-P1266 HydrophobicContact CG-CG 4.35Å
131S47.9Very low53.5Low22 Ų2234.8 Ų34.815%0.15421%0.205CC..  trans-59.2141.1158.553.40000110.3G129 E133G129-S131 PolarHBondContact O-N 3.19Å; S131-E133 PolarHBondContact O-N 2.96Å
132N48.4Very low54.7Low28 Ų2833.2 Ų33.215%0.1520%0.197CC..THydrogen-bonded Turntrans-50.7-4.7178.8-78.14.7000116.9T139 Q168N132-T139 VanDerWaalsContact CG-O 3.28Å; N132-T139 PolarHBondContact ND2-O 3.43Å; N132-T139 PolarHBondContact OD1-O 3.38Å; N132-T139 VanDerWaalsContact OD1-O 3.12Å; N132-T139 PolarHBondContact OD1-OG1 3.36Å; N132-Q168 PolarHBondContact ND2-NE2 2.8Å
133E49.9Very low56.2Low50 Ų5034.8 Ų34.823%0.23420%0.202CC..THydrogen-bonded Turntrans-110.4-0-162.2-40-16591.600114.2S131 N576 K580 T589S131-E133 PolarHBondContact O-N 2.96Å; E133-N576 PolarHBondContact OE2-ND2 3.44Å; E133-K580 WeakPolarHBondContact OE1-CE 3.13Å; E133-K580 IonicContact OE1-NZ 2.83Å; E133-K580 PolarHBondContact OE1-NZ 3.07Å; E133-T589 HydrophobicContact CB-CG2 3.96Å; E133-T589 VanDerWaalsContact CD-CG2 3.42Å; E133-T589 HydrophobicContact CG-CG2 4.34Å; E133-T589 WeakPolarHBondContact OE1-CG2 3.33Å; E133-T589 WeakPolarHBondContact OE2-CG2 3.4Å
134M51.9Low57Low1 Ų134.3 Ų34.31%0.00520%0.199CC..SBendtrans-106.9-2-173.6-60.3-166.353.500113.9S409 L410 L591 T594 F595M134-S409 VanDerWaalsContact O-O 3.08Å; M134-L410 HydrophobicContact CE-CD2 3.8Å; M134-L591 HydrophobicContact CE-CD1 4.17Å; M134-L591 HydrophobicContact CE-CD2 4.07Å; M134-L591 HydrophobicContact CE-CG 4.09Å; M134-L591 HydrophobicContact CG-CD1 3.74Å; M134-L591 HydrophobicContact SD-CD1 4.09Å; M134-L591 HydrophobicContact SD-CG 4.34Å; M134-T594 VanDerWaalsContact CE-OG1 3.31Å; M134-T594 WeakPolarHBondContact CE-OG1 3.35Å; M134-T594 HydrophobicContact SD-CG2 3.4Å; M134-T594 WeakPolarHBondContact SD-CG2 3.32Å; M134-T594 PolarHBondContact SD-OG1 3.15Å; M134-F595 HydrophobicContact CE-CD1 4.15Å; M134-F595 HydrophobicContact CE-CE1 3.88Å
135V53.3Low58Low5 Ų538.4 Ų38.43%0.0322%0.219CC..SBendtrans-146.8158.1165.5-167.80000105.3L137 E403 P1263 P1266V135-L137 HydrophobicContact CB-CB 4.34Å; V135-L137 HydrophobicContact CB-CD1 3.65Å; V135-L137 HydrophobicContact CB-CG 3.7Å; V135-L137 HydrophobicContact CG1-CD1 4.05Å; V135-L137 HydrophobicContact CG1-CG 3.82Å; V135-L137 HydrophobicContact CG2-CD1 3.86Å; V135-L137 HydrophobicContact CG2-CG 4.46Å; V135-L137 PolarHBondContact O-N 3.11Å; V135-E403 VanDerWaalsContact CA-OE2 3.28Å; V135-E403 WeakPolarHBondContact CA-OE2 3.48Å; V135-E403 PolarHBondContact N-OE2 3.12Å; V135-P1263 HydrophobicContact CG1-CB 4.27Å; V135-P1263 HydrophobicContact CG1-CG 4.16Å; V135-P1266 HydrophobicContact CG2-CG 3.96Å
136G53.3Low59.2Low5 Ų537.5 Ų37.55%0.05223%0.227CC..SBendtrans-67.960.9164.500000113S1242 Y1244 S1245G136-S1242 WeakPolarHBondContact O-CB 3.45Å; G136-S1242 PolarHBondContact O-OG 2.64Å; G136-Y1244 CarbonylContact O-C 3.54Å; G136-S1245 PolarHBondContact O-N 3.23Å
137L63.5Low60.3Low13 Ų1339.9 Ų39.97%0.06823%0.228CC..  trans-115.297.6178.8-71.6169.7000108.5V135 T139 Y1244 L1265 F1318V135-L137 HydrophobicContact CB-CB 4.34Å; V135-L137 HydrophobicContact CB-CD1 3.65Å; V135-L137 HydrophobicContact CB-CG 3.7Å; V135-L137 HydrophobicContact CG1-CD1 4.05Å; V135-L137 HydrophobicContact CG1-CG 3.82Å; V135-L137 HydrophobicContact CG2-CD1 3.86Å; V135-L137 HydrophobicContact CG2-CG 4.46Å; V135-L137 PolarHBondContact O-N 3.11Å; L137-T139 VanDerWaalsContact C-N 3.29Å; L137-T139 HydrophobicContact CB-CG2 4.36Å; L137-T139 PolarHBondContact O-N 3.02Å; L137-T139 PolarHBondContact O-OG1 3.12Å; L137-Y1244 HydrophobicContact CD2-CD2 3.34Å; L137-Y1244 HydrophobicContact CD2-CE2 4.12Å; L137-Y1244 HydrophobicContact CD2-CG 3.64Å; L137-L1265 HydrophobicContact CD1-CD2 4.02Å; L137-L1265 HydrophobicContact CD2-CD2 3.89Å; L137-L1265 HydrophobicContact CG-CD2 4.48Å; L137-F1318 HydrophobicContact CD2-CD1 4.01Å; L137-F1318 HydrophobicContact CD2-CE1 3.87Å
138D71.4Confident61.2Low9 Ų943.8 Ų43.85%0.04825%0.247CC..  trans-76.484.4174.7-63.511.7000107.9A153 F171 Y1244 S1245 L1246D138-A153 HydrophobicContact CB-CB 4.29Å; D138-A153 WeakPolarHBondContact O-CB 3.43Å; D138-A153 PolarHBondContact O-N 3.14Å; D138-F171 VanDerWaalsContact CA-CE2 3.49Å; D138-F171 HydrophobicContact CB-CD1 4.15Å; D138-F171 HydrophobicContact CB-CD2 3.82Å; D138-F171 HydrophobicContact CB-CE1 4.04Å; D138-F171 HydrophobicContact CB-CE2 3.68Å; D138-F171 HydrophobicContact CB-CG 4.05Å; D138-F171 HydrophobicContact CB-CZ 3.8Å; D138-Y1244 PolarHBondContact N-O 3.07Å; D138-S1245 VanDerWaalsContact CG-CA 3.5Å; D138-S1245 WeakPolarHBondContact OD1-CA 3.4Å; D138-S1245 WeakPolarHBondContact OD1-CB 3.27Å; D138-S1245 PolarHBondContact OD1-OG 3.45Å; D138-S1245 WeakPolarHBondContact OD2-CA 3.42Å; D138-S1245 PolarHBondContact OD2-OG 3.41Å; D138-L1246 HydrophobicContact CB-CD1 4.35Å; D138-L1246 HydrophobicContact CB-CG 4.23Å; D138-L1246 WeakPolarHBondContact OD2-CB 3.48Å; D138-L1246 PolarHBondContact OD2-N 3.25Å
139T72.2Confident62.5Low9 Ų938.5 Ų38.56%0.05522%0.22CC..EExtended strand (participates in β ladder)trans-108165.6-178.340.70000113.2N132 L137 V150 L151 F1318N132-T139 VanDerWaalsContact CG-O 3.28Å; N132-T139 PolarHBondContact ND2-O 3.43Å; N132-T139 PolarHBondContact OD1-O 3.38Å; N132-T139 VanDerWaalsContact OD1-O 3.12Å; N132-T139 PolarHBondContact OD1-OG1 3.36Å; L137-T139 VanDerWaalsContact C-N 3.29Å; L137-T139 HydrophobicContact CB-CG2 4.36Å; L137-T139 PolarHBondContact O-N 3.02Å; L137-T139 PolarHBondContact O-OG1 3.12Å; T139-V150 HydrophobicContact CG2-CG1 3.97Å; T139-L151 WeakPolarHBondContact CA-O 3.49Å; T139-F1318 HydrophobicContact CG2-CE1 3.82Å; T139-F1318 HydrophobicContact CG2-CZ 3.91Å
140H75.4Confident63.8Low1 Ų138.4 Ų38.41%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-138.7156.3163.2-84-77.7000111.2T142 L151 L156 Q168 T169 F171H140-T142 HydrophobicContact CB-CG2 4.37Å; H140-L151 PolarHBondContact N-O 3.48Å; H140-L151 PolarHBondContact O-N 3.42Å; H140-L156 HydrophobicContact CB-CD1 4.46Å; H140-Q168 PolarHBondContact ND1-NE2 2.9Å; H140-T169 PolarHBondContact CE1-O 3.49Å; H140-F171 AromaticContact CD2-CD2 3.76Å; H140-F171 AromaticContact NE2-CD2 3.41Å; H140-F171 WeakPolarHBondContact NE2-CD2 3.36Å; H140-F171 AromaticContact NE2-CG 3.94Å; H140-F171 PolarHBondContact NE2-N 2.7Å
141L75.8Confident65Low50 Ų5036.9 Ų36.926%0.26221%0.207SC..EExtended strand (participates in β ladder)trans-74.7132.4161.1-115.774.6000108.3I148 V150 I162 I163L141-I148 HydrophobicContact CD2-CG2 3.6Å; L141-I148 HydrophobicContact CG-CG2 3.76Å; L141-V150 HydrophobicContact CD1-CG2 4.03Å; L141-I162 WeakPolarHBondContact O-CA 3.28Å; L141-I163 HydrophobicContact CB-CB 4.08Å; L141-I163 HydrophobicContact CD2-CD1 4.4Å; L141-I163 PolarHBondContact O-N 3.36Å
142T74.4Confident66.4Low1 Ų136 Ų361%0.00620%0.2CC..EExtended strand (participates in β ladder)trans-134.7146.5-173.966.90000110.1H140 I148 V149 L151 L156 V161 I162H140-T142 HydrophobicContact CB-CG2 4.37Å; T142-I148 CarbonylContact O-C 3.58Å; T142-I148 WeakPolarHBondContact O-CA 3.47Å; T142-V149 PolarHBondContact N-O 2.81Å; T142-V149 PolarHBondContact O-N 2.83Å; T142-V149 PolarHBondContact OG1-O 3.22Å; T142-L151 HydrophobicContact CG2-CB 3.84Å; T142-L151 HydrophobicContact CG2-CD1 4.41Å; T142-L151 WeakPolarHBondContact OG1-CD1 3.49Å; T142-L156 HydrophobicContact CG2-CD2 3.6Å; T142-V161 CarbonylContact C-O 3.56Å; T142-V161 WeakPolarHBondContact CA-O 3.42Å; T142-I162 HydrophobicContact CG2-CG2 3.98Å
143I79.3Confident67.7Low70 Ų7034.7 Ų34.736%0.35919%0.193SC..EExtended strand (participates in β ladder)trans-102.5108.6171.9-49.8178.4000107.5K147 V161 I163I143-K147 WeakPolarHBondContact CA-O 3.47Å; I143-V161 HydrophobicContact CB-CB 4.3Å; I143-V161 HydrophobicContact CD1-CG1 4.02Å; I143-V161 HydrophobicContact CG1-CG1 4.43Å; I143-V161 PolarHBondContact N-O 3.08Å; I143-I163 HydrophobicContact CD1-CD1 4.13Å; I143-I163 HydrophobicContact CD1-CG1 4.37Å; I143-I163 HydrophobicContact CG1-CD1 3.99Å; I143-I163 HydrophobicContact CG1-CG1 4.32Å
144R68Low68.7Low42 Ų4232.8 Ų32.816%0.15819%0.185CC..EExtended strand (participates in β ladder)trans-135.5138.3177.2-170.6173.7-81.6170.2-5.9109.2Y123 G146 K147 D160Y123-R144 WeakPolarHBondContact OH-CD 3.33Å; R144-G146 PolarHBondContact O-N 3.01Å; R144-G146 VanDerWaalsContact O-N 3.12Å; R144-K147 PolarHBondContact N-O 3.41Å; R144-K147 PolarHBondContact O-N 3.43Å; R144-D160 IonicContact CZ-OD1 2.78Å; R144-D160 IonicContact CZ-OD2 3.34Å; R144-D160 IonicContact NE-OD1 3.54Å; R144-D160 PolarHBondContact NE-OD1 3.2Å; R144-D160 IonicContact NH2-OD1 2.76Å; R144-D160 PolarHBondContact NH2-OD1 2.92Å; R144-D160 IonicContact NH2-OD2 3.1Å; R144-D160 PolarHBondContact NH2-OD2 3.19Å
145D66.3Low69.7Low116 Ų11634 Ų3462%0.6219%0.192SC*.THydrogen-bonded Turntrans5431-177.2-43.5-42000114.1Y123 K147Y123-D145 WeakPolarHBondContact CE2-OD2 3.04Å; Y123-D145 PolarHBondContact OH-OD2 3.05Å; D145-K147 PolarHBondContact O-N 2.84Å
146G67.1Low70.8Confident77 Ų7733.8 Ų33.879%0.79419%0.19SC*.THydrogen-bonded Turntrans737-175.500000115R144R144-G146 PolarHBondContact O-N 3.01Å; R144-G146 VanDerWaalsContact O-N 3.12Å
147K65.3Low71.7Confident137 Ų13735 Ų3560%0.59620%0.196SC*.EExtended strand (participates in β ladder)trans-114.3148180-64.8177.3-177.91760110.8I143 R144 D145 V149I143-K147 WeakPolarHBondContact CA-O 3.47Å; R144-K147 PolarHBondContact N-O 3.41Å; R144-K147 PolarHBondContact O-N 3.43Å; D145-K147 PolarHBondContact O-N 2.84Å; K147-V149 HydrophobicContact CB-CG2 4.37Å
148I69.5Low72.2Confident105 Ų10535.7 Ų35.754%0.53820%0.202SC..EExtended strand (participates in β ladder)trans-84.5125171.1-61.2176.6000108.3L141 T142 I163L141-I148 HydrophobicContact CD2-CG2 3.6Å; L141-I148 HydrophobicContact CG-CG2 3.76Å; T142-I148 CarbonylContact O-C 3.58Å; T142-I148 WeakPolarHBondContact O-CA 3.47Å; I148-I163 HydrophobicContact CD1-CD1 4.34Å
149V68.8Low72.4Confident10 Ų1037.8 Ų37.86%0.06123%0.225CC..EExtended strand (participates in β ladder)trans-134.1135-173.3178.90000110Y123 T142 K147 L151Y123-V149 HydrophobicContact CD1-CB 4.37Å; Y123-V149 HydrophobicContact CD1-CG1 3.49Å; Y123-V149 VanDerWaalsContact CD1-CG1 3.49Å; Y123-V149 HydrophobicContact CD1-CG2 3.96Å; Y123-V149 HydrophobicContact CD2-CG2 3.86Å; Y123-V149 HydrophobicContact CE1-CG1 4.07Å; Y123-V149 HydrophobicContact CE1-CG2 4.29Å; Y123-V149 HydrophobicContact CE2-CG2 4.21Å; Y123-V149 HydrophobicContact CG-CG1 3.91Å; Y123-V149 HydrophobicContact CG-CG2 3.72Å; T142-V149 PolarHBondContact N-O 2.81Å; T142-V149 PolarHBondContact O-N 2.83Å; T142-V149 PolarHBondContact OG1-O 3.22Å; K147-V149 HydrophobicContact CB-CG2 4.37Å; V149-L151 HydrophobicContact CG1-CD1 4.09Å; V149-L151 HydrophobicContact CG1-CG 3.98Å; V149-L151 PolarHBondContact O-N 3.13Å
150V71.6Confident72.7Confident21 Ų2138 Ų3813%0.12723%0.226CC..EExtended strand (participates in β ladder)trans-78.7113.9166-175.40000108.6T139 L141 F1318T139-V150 HydrophobicContact CG2-CG1 3.97Å; L141-V150 HydrophobicContact CD1-CG2 4.03Å; V150-F1318 HydrophobicContact CG1-CZ 4.47Å
151L72.1Confident73.1Confident3 Ų339.8 Ų39.82%0.01624%0.237CC..EExtended strand (participates in β ladder)trans-119.5133.1-179.9-99.5157.8000110.2T139 H140 T142 V149 L155 T1317T139-L151 WeakPolarHBondContact CA-O 3.49Å; H140-L151 PolarHBondContact N-O 3.48Å; H140-L151 PolarHBondContact O-N 3.42Å; T142-L151 HydrophobicContact CG2-CB 3.84Å; T142-L151 HydrophobicContact CG2-CD1 4.41Å; T142-L151 WeakPolarHBondContact OG1-CD1 3.49Å; V149-L151 HydrophobicContact CG1-CD1 4.09Å; V149-L151 HydrophobicContact CG1-CG 3.98Å; V149-L151 PolarHBondContact O-N 3.13Å; L151-L155 HydrophobicContact CD2-CB 3.67Å; L151-L155 HydrophobicContact CD2-CD1 3.76Å; L151-L155 HydrophobicContact CD2-CG 4.36Å; L151-T1317 HydrophobicContact CD2-CG2 4.16Å
152P76.8Confident73.5Confident4 Ų437.4 Ų37.43%0.02623%0.225CC..EExtended strand (participates in β ladder)trans-53.2138.8166-27.634.5000111.4V154 L155 F1318 A1321P152-V154 PolarHBondContact O-N 3.03Å; P152-V154 VanDerWaalsContact O-N 3.14Å; P152-L155 HydrophobicContact CG-CD1 4.41Å; P152-L155 WeakPolarHBondContact O-CA 3.44Å; P152-L155 WeakPolarHBondContact O-CB 3.44Å; P152-L155 PolarHBondContact O-N 2.93Å; P152-F1318 HydrophobicContact CG-CD1 3.74Å; P152-F1318 HydrophobicContact CG-CE1 3.59Å; P152-F1318 HydrophobicContact CG-CE2 4.45Å; P152-F1318 HydrophobicContact CG-CG 4.24Å; P152-F1318 HydrophobicContact CG-CZ 3.97Å; P152-A1321 HydrophobicContact CB-CB 3.92Å; P152-A1321 HydrophobicContact CG-CB 3.94Å
153A75.4Confident73.8Confident0 Ų038.3 Ų38.30%023%0.229CC..G310 helixtrans-59.5-29.6-178.500000112.4D138 L155 L156 F171 P221 L1246D138-A153 HydrophobicContact CB-CB 4.29Å; D138-A153 WeakPolarHBondContact O-CB 3.43Å; D138-A153 PolarHBondContact O-N 3.14Å; A153-L155 PolarHBondContact O-N 2.84Å; A153-L155 VanDerWaalsContact O-N 3.08Å; A153-L156 HydrophobicContact CB-CD1 4.06Å; A153-L156 WeakPolarHBondContact O-CB 3.45Å; A153-L156 PolarHBondContact O-N 3.44Å; A153-F171 HydrophobicContact CB-CB 3.76Å; A153-F171 HydrophobicContact CB-CD2 4.31Å; A153-F171 HydrophobicContact CB-CG 4.34Å; A153-P221 WeakPolarHBondContact O-CG 3.39Å; A153-L1246 HydrophobicContact CB-CD1 3.51Å; A153-L1246 HydrophobicContact CB-CG 4.41Å
154V71.4Confident73.7Confident10 Ų1035 Ų356%0.06121%0.212CC..G310 helixtrans-49.8-30.8168.9-176.90000113.1P152 L222 L1246 A1321 L1324 I1325P152-V154 PolarHBondContact O-N 3.03Å; P152-V154 VanDerWaalsContact O-N 3.14Å; V154-L222 HydrophobicContact CG1-CD1 4.04Å; V154-L1246 HydrophobicContact CB-CD2 4.5Å; V154-L1246 HydrophobicContact CG2-CD2 3.53Å; V154-A1321 HydrophobicContact CB-CB 4.47Å; V154-L1324 HydrophobicContact CG1-CB 4.39Å; V154-L1324 HydrophobicContact CG1-CD1 4.36Å; V154-I1325 HydrophobicContact CG1-CG1 4.49Å; V154-I1325 HydrophobicContact CG2-CD1 4.06Å; V154-I1325 HydrophobicContact CG2-CG1 4.36Å
155L73.7Confident73.8Confident27 Ų2735.7 Ų35.714%0.14122%0.216CC..G310 helixtrans-101.26.6-176-60.6-179.9000113.7L151 P152 A153 T1317 I1320 A1321 L1324L151-L155 HydrophobicContact CD2-CB 3.67Å; L151-L155 HydrophobicContact CD2-CD1 3.76Å; L151-L155 HydrophobicContact CD2-CG 4.36Å; P152-L155 HydrophobicContact CG-CD1 4.41Å; P152-L155 WeakPolarHBondContact O-CA 3.44Å; P152-L155 WeakPolarHBondContact O-CB 3.44Å; P152-L155 PolarHBondContact O-N 2.93Å; A153-L155 PolarHBondContact O-N 2.84Å; A153-L155 VanDerWaalsContact O-N 3.08Å; L155-T1317 WeakPolarHBondContact CD1-O 3.48Å; L155-I1320 HydrophobicContact CD1-CG2 4.13Å; L155-I1320 HydrophobicContact CD2-CG2 4Å; L155-A1321 HydrophobicContact CD1-CB 4.15Å; L155-A1321 HydrophobicContact CG-CB 4.24Å; L155-L1324 HydrophobicContact CD2-CD1 3.43Å; L155-L1324 VanDerWaalsContact CD2-CD1 3.43Å
156L75.9Confident73.8Confident0 Ų031 Ų310%019%0.192CC..  trans-75.4144.2173.7-69.1174.7000111.8H140 T142 A153 I162 A172 V217 S220 P221H140-L156 HydrophobicContact CB-CD1 4.46Å; T142-L156 HydrophobicContact CG2-CD2 3.6Å; A153-L156 HydrophobicContact CB-CD1 4.06Å; A153-L156 WeakPolarHBondContact O-CB 3.45Å; A153-L156 PolarHBondContact O-N 3.44Å; L156-I162 HydrophobicContact CD2-CG2 3.7Å; L156-A172 HydrophobicContact CD1-CB 4.31Å; L156-V217 HydrophobicContact CB-CG2 4.42Å; L156-V217 HydrophobicContact CD2-CG2 4.49Å; L156-S220 WeakPolarHBondContact O-CB 3.25Å; L156-S220 PolarHBondContact O-OG 2.92Å; L156-P221 HydrophobicContact CB-CG 4.34Å
157V72.6Confident73.5Confident29 Ų2927.6 Ų27.618%0.17616%0.157CC..  trans-141.2143.1-161.4146.70000110.4V9 G159 D160 V217V9-V157 HydrophobicContact CB-CG1 3.95Å; V9-V157 HydrophobicContact CG1-CB 4.1Å; V9-V157 HydrophobicContact CG1-CG1 3.5Å; V9-V157 HydrophobicContact CG1-CG2 3.66Å; V9-V157 HydrophobicContact CG2-CG1 3.36Å; V157-G159 PolarHBondContact O-N 3.38Å; V157-D160 WeakPolarHBondContact CB-OD2 3.42Å; V157-D160 PolarHBondContact N-OD2 3.43Å; V157-D160 VanDerWaalsContact O-CB 3.26Å; V157-D160 WeakPolarHBondContact O-CB 3.46Å; V157-D160 PolarHBondContact O-N 3.49Å; V157-V217 WeakPolarHBondContact O-CB 3.43Å; V157-V217 WeakPolarHBondContact O-CG1 3.35Å
158P74Confident73.8Confident29 Ų2922.3 Ų22.319%0.18813%0.134CC..THydrogen-bonded Turntrans-52.4128174.9-27.535.3000112.3V217P158-V217 WeakPolarHBondContact CA-O 3.23Å
159G75Confident73.9Confident52 Ų5219.2 Ų19.254%0.53612%0.12SC..THydrogen-bonded Turntrans89.6-7.7-174.700000115.3V157 V161 V217V157-G159 PolarHBondContact O-N 3.38Å; G159-V161 PolarHBondContact O-N 3.31Å; G159-V217 PolarHBondContact N-O 3.35Å
160D78.4Confident74.2Confident14 Ų1418.7 Ų18.78%0.07512%0.117CC..  trans-62.4132.7167.5-76.2-23.1000110.1R144 V157 V216 V217R144-D160 IonicContact CZ-OD1 2.78Å; R144-D160 IonicContact CZ-OD2 3.34Å; R144-D160 IonicContact NE-OD1 3.54Å; R144-D160 PolarHBondContact NE-OD1 3.2Å; R144-D160 IonicContact NH2-OD1 2.76Å; R144-D160 PolarHBondContact NH2-OD1 2.92Å; R144-D160 IonicContact NH2-OD2 3.1Å; R144-D160 PolarHBondContact NH2-OD2 3.19Å; V157-D160 WeakPolarHBondContact CB-OD2 3.42Å; V157-D160 PolarHBondContact N-OD2 3.43Å; V157-D160 VanDerWaalsContact O-CB 3.26Å; V157-D160 WeakPolarHBondContact O-CB 3.46Å; V157-D160 PolarHBondContact O-N 3.49Å; D160-V216 WeakPolarHBondContact O-CA 3.24Å; D160-V217 HydrophobicContact CB-CB 4.37Å; D160-V217 HydrophobicContact CB-CG2 4.2Å; D160-V217 PolarHBondContact O-N 3.28Å
161V83.3Confident74.2Confident39 Ų3918.7 Ų18.724%0.23612%0.116CC..EExtended strand (participates in β ladder)trans-90116.2171.7-177.80000108.1T142 I143 G159 I177 V214 V216T142-V161 CarbonylContact C-O 3.56Å; T142-V161 WeakPolarHBondContact CA-O 3.42Å; I143-V161 HydrophobicContact CB-CB 4.3Å; I143-V161 HydrophobicContact CD1-CG1 4.02Å; I143-V161 HydrophobicContact CG1-CG1 4.43Å; I143-V161 PolarHBondContact N-O 3.08Å; G159-V161 PolarHBondContact O-N 3.31Å; V161-I177 HydrophobicContact CG1-CD1 4.37Å; V161-V214 HydrophobicContact CG1-CG1 3.31Å; V161-V216 HydrophobicContact CG2-CG2 4.48Å
162I84Confident74.3Confident0 Ų018.6 Ų18.60%012%0.115CC..EExtended strand (participates in β ladder)trans-108.8144178.965.6172.8000110.7L141 T142 L156 I164 C174 A215 V217L141-I162 WeakPolarHBondContact O-CA 3.28Å; T142-I162 HydrophobicContact CG2-CG2 3.98Å; L156-I162 HydrophobicContact CD2-CG2 3.7Å; I162-I164 HydrophobicContact CD1-CD1 3.87Å; I162-I164 HydrophobicContact CD1-CG1 3.97Å; I162-I164 HydrophobicContact CG1-CD1 4.13Å; I162-I164 HydrophobicContact CG1-CG1 4.1Å; I162-C174 HydrophobicContact CD1-CB 4.13Å; I162-A215 HydrophobicContact CG1-CB 4.11Å; I162-A215 WeakPolarHBondContact CG1-O 3.34Å; I162-A215 PolarHBondContact N-O 3.08Å; I162-A215 PolarHBondContact O-N 3.25Å; I162-V217 HydrophobicContact CD1-CG2 4.05Å; I162-V217 HydrophobicContact CG1-CG2 4.33Å; I162-V217 HydrophobicContact CG2-CG2 3.77Å
163I80.9Confident74.3Confident20 Ų2021.7 Ų21.710%0.10313%0.128CC..EExtended strand (participates in β ladder)trans-105.1111.9176.8-57.6168000106.8L141 I143 I148 S212L141-I163 HydrophobicContact CB-CB 4.08Å; L141-I163 HydrophobicContact CD2-CD1 4.4Å; L141-I163 PolarHBondContact O-N 3.36Å; I143-I163 HydrophobicContact CD1-CD1 4.13Å; I143-I163 HydrophobicContact CD1-CG1 4.37Å; I143-I163 HydrophobicContact CG1-CD1 3.99Å; I143-I163 HydrophobicContact CG1-CG1 4.32Å; I148-I163 HydrophobicContact CD1-CD1 4.34Å; I163-S212 VanDerWaalsContact CG2-CB 3.48Å; I163-S212 WeakPolarHBondContact CG2-OG 3.27Å
164I77.5Confident74.7Confident0 Ų021.7 Ų21.70%013%0.128CC..EExtended strand (participates in β ladder)trans-103.1122.5-178.6-58.6159.6000108.1I162 Q168 I170 F189 S212 M213 A215I162-I164 HydrophobicContact CD1-CD1 3.87Å; I162-I164 HydrophobicContact CD1-CG1 3.97Å; I162-I164 HydrophobicContact CG1-CD1 4.13Å; I162-I164 HydrophobicContact CG1-CG1 4.1Å; I164-Q168 HydrophobicContact CG2-CB 4.15Å; I164-I170 HydrophobicContact CD1-CD1 4Å; I164-I170 HydrophobicContact CD1-CG1 4.01Å; I164-I170 HydrophobicContact CG2-CD1 4.45Å; I164-I170 HydrophobicContact CG2-CG1 4.07Å; I164-F189 HydrophobicContact CG2-CB 3.57Å; I164-F189 HydrophobicContact CG2-CD1 4.35Å; I164-F189 HydrophobicContact CG2-CG 4.1Å; I164-S212 CarbonylContact O-C 3.53Å; I164-S212 WeakPolarHBondContact O-CA 3.5Å; I164-S212 WeakPolarHBondContact O-CB 3.38Å; I164-M213 HydrophobicContact CB-CB 4.3Å; I164-M213 HydrophobicContact CB-SD 4.31Å; I164-M213 HydrophobicContact CD1-SD 3.68Å; I164-M213 PolarHBondContact N-O 3.08Å; I164-M213 PolarHBondContact O-N 2.84Å; I164-A215 HydrophobicContact CD1-CB 3.7Å
165K71Confident75.2Confident57 Ų5724.7 Ų24.725%0.24814%0.141CC..PPolyproline II helixtrans-84.5153.9177.4-61.3-169.3177.1-172.70111.1G167 Q168 E573K165-G167 PolarHBondContact O-N 3.43Å; K165-Q168 HydrophobicContact CB-CB 4.41Å; K165-Q168 WeakPolarHBondContact O-CB 3.46Å; K165-Q168 PolarHBondContact O-N 2.88Å; K165-E573 VanDerWaalsContact CD-CD 3.47Å; K165-E573 VanDerWaalsContact CD-OE1 3.31Å; K165-E573 WeakPolarHBondContact CD-OE1 3.34Å; K165-E573 WeakPolarHBondContact CD-OE2 3.48Å; K165-E573 IonicContact NZ-OE1 3.36Å; K165-E573 PolarHBondContact NZ-OE1 2.96Å; K165-E573 IonicContact NZ-OE2 2.72Å; K165-E573 PolarHBondContact NZ-OE2 2.91Å
166P66.2Low75.6Confident16 Ų1624.6 Ų24.610%0.10414%0.14CC..THydrogen-bonded Turntrans-47.4137.5166.5-27.335.8000111Q168 F189 P191 A577P166-Q168 PolarHBondContact O-N 2.98Å; P166-F189 HydrophobicContact CG-CE1 4.48Å; P166-P191 HydrophobicContact CB-CG 4.06Å; P166-P191 HydrophobicContact CG-CG 3.94Å; P166-A577 HydrophobicContact CB-CB 3.73Å; P166-A577 WeakPolarHBondContact O-CB 3.36Å
167G61.2Low75.7Confident6 Ų628.9 Ų28.96%0.06216%0.162CC..THydrogen-bonded Turntrans75.4-5.2-179.200000115.9K165 F189 K580K165-G167 PolarHBondContact O-N 3.43Å; G167-F189 PolarHBondContact N-O 3.25Å; G167-K580 VanDerWaalsContact O-CD 3.27Å; G167-K580 WeakPolarHBondContact O-CD 3.48Å; G167-K580 PolarHBondContact O-NZ 2.97Å
168Q70.8Confident75.5Confident26 Ų2634.5 Ų34.512%0.12119%0.19CC..PPolyproline II helixtrans-77.3136.3178.9-165.4171.712.100110.7N132 H140 I164 K165 P166 F189N132-Q168 PolarHBondContact ND2-NE2 2.8Å; H140-Q168 PolarHBondContact ND1-NE2 2.9Å; I164-Q168 HydrophobicContact CG2-CB 4.15Å; K165-Q168 HydrophobicContact CB-CB 4.41Å; K165-Q168 WeakPolarHBondContact O-CB 3.46Å; K165-Q168 PolarHBondContact O-N 2.88Å; P166-Q168 PolarHBondContact O-N 2.98Å; Q168-F189 PolarHBondContact O-N 2.93Å
169T71.3Confident75.1Confident40 Ų4036.9 Ų36.925%0.24520%0.199CC..BIsolated β-bridgetrans-75.3131.9170.546.10000110.1H140 F171 D187 V188H140-T169 PolarHBondContact CE1-O 3.49Å; T169-F171 WeakPolarHBondContact OG1-CE1 3.45Å; T169-F171 WeakPolarHBondContact OG1-CZ 3.16Å; T169-D187 CarbonylContact C-O 3.58Å; T169-D187 WeakPolarHBondContact CA-O 3.38Å; T169-V188 HydrophobicContact CG2-CG2 3.91Å
170I74.6Confident74.6Confident0 Ų041 Ų410%021%0.209CC..PPolyproline II helixtrans-85.4125.6178-64.1176.3000108.6I164 A172 H183 P185 G186 D187 F189I164-I170 HydrophobicContact CD1-CD1 4Å; I164-I170 HydrophobicContact CD1-CG1 4.01Å; I164-I170 HydrophobicContact CG2-CD1 4.45Å; I164-I170 HydrophobicContact CG2-CG1 4.07Å; I170-A172 WeakPolarHBondContact CG2-O 3.38Å; I170-H183 HydrophobicContact CD1-CB 3.55Å; I170-H183 HydrophobicContact CG2-CB 4.42Å; I170-P185 CarbonylContact O-C 3.55Å; I170-P185 WeakPolarHBondContact O-CA 3.45Å; I170-G186 PolarHBondContact O-N 3.03Å; I170-D187 HydrophobicContact CD1-CB 4.4Å; I170-D187 PolarHBondContact N-O 3.33Å; I170-F189 HydrophobicContact CD1-CB 4.38Å
171F71.7Confident74.4Confident21 Ų2145 Ų459%0.09223%0.227CC..  trans-104.3-1.4-175.1-63.5-56000115.2D138 H140 A153 T169 L1246D138-F171 VanDerWaalsContact CA-CE2 3.49Å; D138-F171 HydrophobicContact CB-CD1 4.15Å; D138-F171 HydrophobicContact CB-CD2 3.82Å; D138-F171 HydrophobicContact CB-CE1 4.04Å; D138-F171 HydrophobicContact CB-CE2 3.68Å; D138-F171 HydrophobicContact CB-CG 4.05Å; D138-F171 HydrophobicContact CB-CZ 3.8Å; H140-F171 AromaticContact CD2-CD2 3.76Å; H140-F171 AromaticContact NE2-CD2 3.41Å; H140-F171 WeakPolarHBondContact NE2-CD2 3.36Å; H140-F171 AromaticContact NE2-CG 3.94Å; H140-F171 PolarHBondContact NE2-N 2.7Å; A153-F171 HydrophobicContact CB-CB 3.76Å; A153-F171 HydrophobicContact CB-CD2 4.31Å; A153-F171 HydrophobicContact CB-CG 4.34Å; T169-F171 WeakPolarHBondContact OG1-CE1 3.45Å; T169-F171 WeakPolarHBondContact OG1-CZ 3.16Å; F171-L1246 HydrophobicContact CB-CD1 4.11Å
172A74.1Confident74Confident1 Ų147.6 Ų47.61%0.00824%0.238CC..SBendtrans-143.6156.5-179.100000110.6L156 I170 C174 V217 P221L156-A172 HydrophobicContact CD1-CB 4.31Å; I170-A172 WeakPolarHBondContact CG2-O 3.38Å; A172-C174 PolarHBondContact O-N 2.98Å; A172-C174 VanDerWaalsContact O-N 3.13Å; A172-V217 HydrophobicContact CB-CG1 4.4Å; A172-P221 HydrophobicContact CB-CB 4.34Å; A172-P221 HydrophobicContact CB-CG 4.06Å
173F78.1Confident73.5Confident68 Ų6848.6 Ų48.630%0.29824%0.243SC..  trans-65.1113.7171.4-64.9-90.7000109.4H183 L184 P185 I218 H219F173-H183 WeakPolarHBondContact CA-O 3.38Å; F173-L184 HydrophobicContact CD1-CD2 4.01Å; F173-L184 HydrophobicContact CE1-CD2 3.69Å; F173-P185 HydrophobicContact CD2-CG 4.14Å; F173-P185 HydrophobicContact CE1-CG 4.28Å; F173-P185 HydrophobicContact CE2-CG 3.74Å; F173-P185 HydrophobicContact CZ-CG 3.82Å; F173-I218 PolarHBondContact O-N 3.5Å; F173-H219 HydrophobicContact CB-CB 4.4Å; F173-H219 HydrophobicContact CD2-CB 4.37Å
174C82.1Confident73.1Confident0 Ų051.5 Ų51.50%026%0.258CS..EExtended strand (participates in β ladder)trans-131.7145.6-178.165.50000112.2I162 A172 H183 A215 V216I162-C174 HydrophobicContact CD1-CB 4.13Å; A172-C174 PolarHBondContact O-N 2.98Å; A172-C174 VanDerWaalsContact O-N 3.13Å; C174-H183 PolarHBondContact N-O 3.25Å; C174-H183 PolarHBondContact O-N 3.21Å; C174-A215 HydrophobicContact CB-CB 3.93Å; C174-V216 CarbonylContact C-O 3.51Å; C174-V216 VanDerWaalsContact CA-O 3.27Å; C174-V216 WeakPolarHBondContact CA-O 3.33Å
175K83.2Confident72.6Confident74 Ų7454 Ų5432%0.32228%0.275SS..EExtended strand (participates in β ladder)trans-105135175.5-163.6-160.6173.9-165.80109.3N180 H181 I182 A215 V216 I218K175-N180 VanDerWaalsContact CE-OD1 3.25Å; K175-N180 WeakPolarHBondContact CE-OD1 3.43Å; K175-N180 PolarHBondContact NZ-OD1 3.41Å; K175-H181 WeakPolarHBondContact CG-O 3.32Å; K175-I182 HydrophobicContact CG-CG1 4.43Å; K175-A215 CarbonylContact O-C 3.6Å; K175-A215 WeakPolarHBondContact O-CA 3.31Å; K175-A215 WeakPolarHBondContact O-CB 3.38Å; K175-V216 PolarHBondContact N-O 3.41Å; K175-V216 PolarHBondContact O-N 2.94Å; K175-I218 HydrophobicContact CB-CD1 3.88Å; K175-I218 HydrophobicContact CB-CG1 3.95Å
176Q82.2Confident72.4Confident25 Ų2554 Ų5412%0.11729%0.291CS..EExtended strand (participates in β ladder)trans-62.7147170-159.3166.3-3400110.4E179 H181 M213Q176-E179 HydrophobicContact CB-CB 4.12Å; Q176-E179 HydrophobicContact CG-CB 4.26Å; Q176-E179 VanDerWaalsContact NE2-CD 3.32Å; Q176-E179 PolarHBondContact NE2-OE1 3.42Å; Q176-H181 PolarHBondContact N-O 3.15Å; Q176-M213 HydrophobicContact CB-CE 3.59Å; Q176-M213 HydrophobicContact CG-CE 3.76Å; Q176-M213 HydrophobicContact CG-CG 4.04Å
177I76.9Confident72.5Confident90 Ų9055.9 Ų55.946%0.46230%0.3SS..SBendtrans-71.6-40.6176-67.5-178.1000110.8V161 V214 V216V161-I177 HydrophobicContact CG1-CD1 4.37Å; I177-V214 HydrophobicContact CD1-CB 4.22Å; I177-V214 HydrophobicContact CD1-CG1 3.57Å; I177-V214 HydrophobicContact CG1-CG1 4.44Å; I177-V214 PolarHBondContact N-O 3.25Å; I177-V214 VanDerWaalsContact N-O 3.17Å; I177-V216 HydrophobicContact CD1-CG2 4.08Å; I177-V216 HydrophobicContact CG1-CG2 3.78Å
178N68.8Low72.9Confident146 Ų14658.4 Ų58.478%0.78131%0.314SS*.SBendtrans-89-15.8-172.5-60.4-3.3000113.6
179E66.1Low73Confident80 Ų8058.2 Ų58.237%0.37431%0.313SS..SBendtrans-131.8151.1-174.8-65.3-178.1-130.500111Q176 H181Q176-E179 HydrophobicContact CB-CB 4.12Å; Q176-E179 HydrophobicContact CG-CB 4.26Å; Q176-E179 VanDerWaalsContact NE2-CD 3.32Å; Q176-E179 PolarHBondContact NE2-OE1 3.42Å; E179-H181 PolarHBondContact O-N 2.8Å
180N64.6Low72.7Confident138 Ų13858.8 Ų58.874%0.73832%0.316SS*.  trans-79.27.4177.8-82.2-43.3000113.9K175K175-N180 VanDerWaalsContact CE-OD1 3.25Å; K175-N180 WeakPolarHBondContact CE-OD1 3.43Å; K175-N180 PolarHBondContact NZ-OD1 3.41Å
181H73.3Confident72.1Confident99 Ų9959.5 Ų59.546%0.45832%0.321SS..  trans-69.1140.6179-157.2-95.4000111.8K175 Q176 E179 H183K175-H181 WeakPolarHBondContact CG-O 3.32Å; Q176-H181 PolarHBondContact N-O 3.15Å; E179-H181 PolarHBondContact O-N 2.8Å; H181-H183 AromaticContact CE1-CE1 3.99Å; H181-H183 AromaticContact CG-NE2 3.84Å; H181-H183 AromaticContact ND1-CD2 3.51Å; H181-H183 AromaticContact ND1-CE1 3.34Å; H181-H183 PolarHBondContact ND1-CE1 3.31Å; H181-H183 VanDerWaalsContact ND1-CE1 3.34Å; H181-H183 AromaticContact ND1-CG 3.98Å; H181-H183 AromaticContact ND1-ND1 3.87Å; H181-H183 AromaticContact ND1-NE2 3.05Å; H181-H183 PolarHBondContact ND1-NE2 3.29Å
182I74.9Confident71.3Confident92 Ų9264.5 Ų64.547%0.47234%0.344SS..EExtended strand (participates in β ladder)trans-114123.3175.9-63.8174.3000106.9K175 I218K175-I182 HydrophobicContact CG-CG1 4.43Å; I182-I218 HydrophobicContact CB-CD1 4.39Å; I182-I218 HydrophobicContact CD1-CD1 4.27Å; I182-I218 HydrophobicContact CG1-CD1 4Å; I182-I218 HydrophobicContact CG2-CD1 3.68Å
183H73.6Confident70.1Confident22 Ų2271.3 Ų71.310%0.10237%0.374CS..EExtended strand (participates in β ladder)trans-96.1143.7177.4-62.9-99.9000110.3I170 F173 C174 H181 M213I170-H183 HydrophobicContact CD1-CB 3.55Å; I170-H183 HydrophobicContact CG2-CB 4.42Å; F173-H183 WeakPolarHBondContact CA-O 3.38Å; C174-H183 PolarHBondContact N-O 3.25Å; C174-H183 PolarHBondContact O-N 3.21Å; H181-H183 AromaticContact CE1-CE1 3.99Å; H181-H183 AromaticContact CG-NE2 3.84Å; H181-H183 AromaticContact ND1-CD2 3.51Å; H181-H183 AromaticContact ND1-CE1 3.34Å; H181-H183 PolarHBondContact ND1-CE1 3.31Å; H181-H183 VanDerWaalsContact ND1-CE1 3.34Å; H181-H183 AromaticContact ND1-CG 3.98Å; H181-H183 AromaticContact ND1-ND1 3.87Å; H181-H183 AromaticContact ND1-NE2 3.05Å; H181-H183 PolarHBondContact ND1-NE2 3.29Å; H183-M213 WeakPolarHBondContact CD2-CE 3.47Å; H183-M213 WeakPolarHBondContact NE2-CE 3.25Å
184L73.6Confident68.5Low80 Ų8070.8 Ų70.842%0.41937%0.37SS..PPolyproline II helixtrans-95.4148.9-176.4-58.9172.2000110.2F173 G186 D187F173-L184 HydrophobicContact CD1-CD2 4.01Å; F173-L184 HydrophobicContact CE1-CD2 3.69Å; L184-G186 PolarHBondContact O-N 3.23Å; L184-G186 VanDerWaalsContact O-N 3.15Å; L184-D187 PolarHBondContact N-OD2 2.97Å; L184-D187 WeakPolarHBondContact O-CB 3.3Å; L184-D187 PolarHBondContact O-N 3.31Å
185P66.1Low66.6Low53 Ų5375 Ų7534%0.34440%0.4SS..THydrogen-bonded Turntrans-63.4117.4171.427.2-33.8000109.9I170 F173I170-P185 CarbonylContact O-C 3.55Å; I170-P185 WeakPolarHBondContact O-CA 3.45Å; F173-P185 HydrophobicContact CD2-CG 4.14Å; F173-P185 HydrophobicContact CE1-CG 4.28Å; F173-P185 HydrophobicContact CE2-CG 3.74Å; F173-P185 HydrophobicContact CZ-CG 3.82Å
186G66.8Low64.1Low57 Ų5776.4 Ų76.459%0.58842%0.417SS*.THydrogen-bonded Turntrans116.5-18-172.400000114.1I170 L184I170-G186 PolarHBondContact O-N 3.03Å; L184-G186 PolarHBondContact O-N 3.23Å; L184-G186 VanDerWaalsContact O-N 3.15Å
187D69.3Low61.6Low55 Ų5582.1 Ų82.129%0.29445%0.449SS..PPolyproline II helixtrans-65.5143.8176.4-68.6-11.5000111.1T169 I170 L184T169-D187 CarbonylContact C-O 3.58Å; T169-D187 WeakPolarHBondContact CA-O 3.38Å; I170-D187 HydrophobicContact CD1-CB 4.4Å; I170-D187 PolarHBondContact N-O 3.33Å; L184-D187 PolarHBondContact N-OD2 2.97Å; L184-D187 WeakPolarHBondContact O-CB 3.3Å; L184-D187 PolarHBondContact O-N 3.31Å
188V69.7Low59.7Low59 Ų5983.1 Ų83.136%0.35846%0.461SS..BIsolated β-bridgetrans-97.8126.3167.8177.80000108T169 V190 K580T169-V188 HydrophobicContact CG2-CG2 3.91Å; V188-V190 HydrophobicContact CG1-CG2 4.44Å; V188-V190 PolarHBondContact O-N 2.98Å; V188-K580 HydrophobicContact CG1-CD 4.37Å
189F71.9Confident58.1Low22 Ų2280.5 Ų80.510%0.09645%0.45CS..PPolyproline II helixtrans-71.4121.7175.4177.8-111.7000111.1I164 P166 G167 Q168 I170 P191 M213I164-F189 HydrophobicContact CG2-CB 3.57Å; I164-F189 HydrophobicContact CG2-CD1 4.35Å; I164-F189 HydrophobicContact CG2-CG 4.1Å; P166-F189 HydrophobicContact CG-CE1 4.48Å; G167-F189 PolarHBondContact N-O 3.25Å; Q168-F189 PolarHBondContact O-N 2.93Å; I170-F189 HydrophobicContact CD1-CB 4.38Å; F189-P191 HydrophobicContact CE1-CG 4.07Å; F189-P191 HydrophobicContact CZ-CG 4.38Å; F189-M213 HydrophobicContact CD1-CB 4.06Å; F189-M213 HydrophobicContact CD2-CB 4.14Å; F189-M213 HydrophobicContact CD2-CG 4.3Å; F189-M213 HydrophobicContact CD2-SD 3.63Å; F189-M213 HydrophobicContact CE1-CB 3.73Å; F189-M213 HydrophobicContact CE2-CB 3.81Å; F189-M213 HydrophobicContact CE2-CG 4.02Å; F189-M213 HydrophobicContact CE2-SD 3.91Å; F189-M213 HydrophobicContact CG-CB 4.28Å; F189-M213 HydrophobicContact CG-SD 4.17Å; F189-M213 HydrophobicContact CZ-CB 3.61Å; F189-M213 HydrophobicContact CZ-CG 4.29Å
190V64.7Low56.6Low53 Ų5382.2 Ų82.232%0.32147%0.468SS..  trans-123.8123.1175.8176.80000107.8V188 Y581V188-V190 HydrophobicContact CG1-CG2 4.44Å; V188-V190 PolarHBondContact O-N 2.98Å; V190-Y581 HydrophobicContact CG1-CD2 3.68Å; V190-Y581 HydrophobicContact CG1-CE2 4.06Å; V190-Y581 HydrophobicContact CG2-CD2 4.33Å
191P62.1Low55Low14 Ų1481.4 Ų81.49%0.09147%0.468CS..  trans-61.5137.4178.3-2333.4000112.2P166 F189 K193 Y194P166-P191 HydrophobicContact CB-CG 4.06Å; P166-P191 HydrophobicContact CG-CG 3.94Å; F189-P191 HydrophobicContact CE1-CG 4.07Å; F189-P191 HydrophobicContact CZ-CG 4.38Å; P191-K193 PolarHBondContact O-N 2.94Å; P191-Y194 HydrophobicContact CB-CD2 3.99Å; P191-Y194 HydrophobicContact CB-CE2 4.15Å; P191-Y194 HydrophobicContact CG-CD2 4.2Å; P191-Y194 HydrophobicContact CG-CE2 4.07Å; P191-Y194 WeakPolarHBondContact O-CD2 3.2Å; P191-Y194 PolarHBondContact O-N 2.75Å; P191-Y194 VanDerWaalsContact O-N 3.07Å
192H54.3Low53Low127 Ų12781 Ų8159%0.58848%0.477SS*.G310 helixtrans-58.3-23.5-173.5-88.2-56.3000115.2Y194 S195H192-Y194 PolarHBondContact O-N 3.43Å; H192-S195 WeakPolarHBondContact O-CB 3.24Å; H192-S195 PolarHBondContact O-N 3.43Å; H192-S195 PolarHBondContact O-OG 3.11Å
193K49.3Very low51.1Low144 Ų14481.5 Ų81.563%0.62648%0.476SS*.G310 helixtrans-59.5-24.8175.6-72.8-173173.1-174.90114P191 S195 S209P191-K193 PolarHBondContact O-N 2.94Å; K193-S195 PolarHBondContact O-N 2.87Å; K193-S209 PolarHBondContact NZ-OG 3.26Å
194Y45.6Very low49.3Very low57 Ų5784.9 Ų84.922%0.22450%0.498CS..G310 helixtrans-75.7-4.3176.4-67.3-88.4000113.7P191 H192 D210 T578 Y581P191-Y194 HydrophobicContact CB-CD2 3.99Å; P191-Y194 HydrophobicContact CB-CE2 4.15Å; P191-Y194 HydrophobicContact CG-CD2 4.2Å; P191-Y194 HydrophobicContact CG-CE2 4.07Å; P191-Y194 WeakPolarHBondContact O-CD2 3.2Å; P191-Y194 PolarHBondContact O-N 2.75Å; P191-Y194 VanDerWaalsContact O-N 3.07Å; H192-Y194 PolarHBondContact O-N 3.43Å; Y194-D210 PolarHBondContact OH-OD2 2.99Å; Y194-T578 HydrophobicContact CE1-CG2 3.95Å; Y194-Y581 PolarHBondContact O-OH 2.81Å
195S40.6Very low47.5Very low89 Ų8983.4 Ų83.462%0.62249%0.494SS*.G310 helixtrans-83-9.2-178.965.70000115.5H192 K193H192-S195 WeakPolarHBondContact O-CB 3.24Å; H192-S195 PolarHBondContact O-N 3.43Å; H192-S195 PolarHBondContact O-OG 3.11Å; K193-S195 PolarHBondContact O-N 2.87Å
196C31.1Very low46.3Very low102 Ų10283.7 Ų83.769%0.68949%0.492SS*.SBendtrans-93153.7-179.9-70.10000112.4
197N30.7Very low44.8Very low145 Ų14587.4 Ų87.478%0.77550%0.495SS*.  trans-51.1143.2-168.8-71.4-33.4000115V199N197-V199 VanDerWaalsContact C-N 3.3Å; N197-V199 PolarHBondContact O-N 3.02Å
198P36.3Very low43.4Very low111 Ų11193.5 Ų93.572%0.72152%0.518SS*.  trans-76.972.2-179.133.7-37.3000112.5
199V35.9Very low41.9Very low92 Ų9292.8 Ų92.856%0.55852%0.516SS*.  trans-79.6130.1170-176.40000109.1N197 T201N197-V199 VanDerWaalsContact C-N 3.3Å; N197-V199 PolarHBondContact O-N 3.02Å; V199-T201 VanDerWaalsContact C-N 3.31Å; V199-T201 PolarHBondContact O-N 3.49Å
200P34.7Very low40.9Very low115 Ų11593.1 Ų93.175%0.74752%0.519SS*.SBendtrans-78.3-1.6-168.5-17.132.3000116.7
201T30.6Very low40.6Very low121 Ų12197.2 Ų97.274%0.74253%0.534SS*.  trans-130.332.8-151.761.40000115.4V199V199-T201 VanDerWaalsContact C-N 3.31Å; V199-T201 PolarHBondContact O-N 3.49Å
202S31.6Very low40.7Very low91 Ų9198.9 Ų98.964%0.63655%0.546SS*.  trans-124.9130.3168.252.50000111.6T204S202-T204 PolarHBondContact O-N 3.05Å; S202-T204 VanDerWaalsContact O-N 3.11Å
203F35.1Very low41.8Very low102 Ų10293.3 Ų93.345%0.44752%0.521SS..  trans-70.2102.5164.1-71.7-103000108.6S205 Q943F203-S205 PolarHBondContact O-N 3.21Å; F203-Q943 HydrophobicContact CE1-CB 4.21Å; F203-Q943 HydrophobicContact CE1-CG 3.89Å; F203-Q943 HydrophobicContact CE2-CB 4.38Å; F203-Q943 HydrophobicContact CE2-CG 4.38Å; F203-Q943 HydrophobicContact CZ-CB 3.47Å; F203-Q943 VanDerWaalsContact CZ-CB 3.47Å; F203-Q943 HydrophobicContact CZ-CG 3.46Å; F203-Q943 VanDerWaalsContact CZ-CG 3.46Å
204T34.6Very low43.4Very low94 Ų9489.1 Ų89.158%0.57751%0.507SS*.  trans-80.694.8149.354.80000107.6S202 I206S202-T204 PolarHBondContact O-N 3.05Å; S202-T204 VanDerWaalsContact O-N 3.11Å; T204-I206 PolarHBondContact O-N 3.28Å
205S37.5Very low45.2Very low48 Ų4886.4 Ų86.434%0.33650%0.497SS..  trans-49.5124.313835.20000106.2F203 E207F203-S205 PolarHBondContact O-N 3.21Å; S205-E207 PolarHBondContact O-N 3.04Å
206I40.1Very low47.3Very low59 Ų5984.4 Ų84.430%0.30348%0.48SS..  trans-80.874.6178.5-69.6164.5000107.1T204 K208 D210 M758T204-I206 PolarHBondContact O-N 3.28Å; I206-K208 PolarHBondContact O-N 3.38Å; I206-D210 HydrophobicContact CG2-CB 3.9Å; I206-M758 HydrophobicContact CD1-CB 4.39Å; I206-M758 HydrophobicContact CD1-CE 3.41Å; I206-M758 VanDerWaalsContact CD1-CE 3.41Å
207E34.9Very low49.7Very low136 Ų13679.6 Ų79.664%0.63645%0.448SS*.  trans-62.691.7177.5-67.2178.1156.800109.6S205 S209S205-E207 PolarHBondContact O-N 3.04Å; E207-S209 VanDerWaalsContact O-CB 3.25Å; E207-S209 WeakPolarHBondContact O-CB 3.24Å; E207-S209 PolarHBondContact O-N 2.72Å; E207-S209 PolarHBondContact O-OG 3.28Å
208K40.1Very low52.2Low183 Ų18375.6 Ų75.680%0.79643%0.426SS*.SBendtrans40.942165.4-64-174.6172.4-1780115I206I206-K208 PolarHBondContact O-N 3.38Å
209S37.5Very low54Low43 Ų4373.9 Ų73.930%0.30141%0.408SS..  trans-146.24.3-171.649.80000116.4K193 E207 E211K193-S209 PolarHBondContact NZ-OG 3.26Å; E207-S209 VanDerWaalsContact O-CB 3.25Å; E207-S209 WeakPolarHBondContact O-CB 3.24Å; E207-S209 PolarHBondContact O-N 2.72Å; E207-S209 PolarHBondContact O-OG 3.28Å; S209-E211 PolarHBondContact O-N 2.73Å
210D51Low55.7Low29 Ų2969.7 Ų69.716%0.15538%0.383CS..SBendtrans-84.240.7149.2-80.9-16.7000109.4Y194 I206 S212Y194-D210 PolarHBondContact OH-OD2 2.99Å; I206-D210 HydrophobicContact CG2-CB 3.9Å; D210-S212 PolarHBondContact O-N 3.14Å
211E58.2Low57.5Low140 Ų14064.4 Ų64.465%0.65435%0.348SS*.PPolyproline II helixtrans-65.1135.3176.6-70.8-165.7149.500110.1S209 M213S209-E211 PolarHBondContact O-N 2.73Å; E211-M213 PolarHBondContact O-N 3.36Å
212S66.2Low59.5Low49 Ų4959.6 Ų59.634%0.34332%0.318SS..PPolyproline II helixtrans-61.4120.5176.253.50000110.5I163 I164 D210 V214I163-S212 VanDerWaalsContact CG2-CB 3.48Å; I163-S212 WeakPolarHBondContact CG2-OG 3.27Å; I164-S212 CarbonylContact O-C 3.53Å; I164-S212 WeakPolarHBondContact O-CA 3.5Å; I164-S212 WeakPolarHBondContact O-CB 3.38Å; D210-S212 PolarHBondContact O-N 3.14Å; S212-V214 PolarHBondContact O-N 3.29Å; S212-V214 VanDerWaalsContact O-N 3.15Å
213M76.3Confident61.3Low9 Ų956.9 Ų56.94%0.04430%0.297CS..EExtended strand (participates in β ladder)trans-55.6116.7179.9178.2-150.2-176.500110.7I164 Q176 H183 F189 E211 A215I164-M213 HydrophobicContact CB-CB 4.3Å; I164-M213 HydrophobicContact CB-SD 4.31Å; I164-M213 HydrophobicContact CD1-SD 3.68Å; I164-M213 PolarHBondContact N-O 3.08Å; I164-M213 PolarHBondContact O-N 2.84Å; Q176-M213 HydrophobicContact CB-CE 3.59Å; Q176-M213 HydrophobicContact CG-CE 3.76Å; Q176-M213 HydrophobicContact CG-CG 4.04Å; H183-M213 WeakPolarHBondContact CD2-CE 3.47Å; H183-M213 WeakPolarHBondContact NE2-CE 3.25Å; F189-M213 HydrophobicContact CD1-CB 4.06Å; F189-M213 HydrophobicContact CD2-CB 4.14Å; F189-M213 HydrophobicContact CD2-CG 4.3Å; F189-M213 HydrophobicContact CD2-SD 3.63Å; F189-M213 HydrophobicContact CE1-CB 3.73Å; F189-M213 HydrophobicContact CE2-CB 3.81Å; F189-M213 HydrophobicContact CE2-CG 4.02Å; F189-M213 HydrophobicContact CE2-SD 3.91Å; F189-M213 HydrophobicContact CG-CB 4.28Å; F189-M213 HydrophobicContact CG-SD 4.17Å; F189-M213 HydrophobicContact CZ-CB 3.61Å; F189-M213 HydrophobicContact CZ-CG 4.29Å; E211-M213 PolarHBondContact O-N 3.36Å; M213-A215 HydrophobicContact CE-CB 3.91Å; M213-A215 HydrophobicContact SD-CB 4.34Å
214V82.1Confident62.9Low57 Ų5753.4 Ų53.435%0.34529%0.286SS..EExtended strand (participates in β ladder)trans-87.5117.7171.1-168.10000108.7V161 I177 S212V161-V214 HydrophobicContact CG1-CG1 3.31Å; I177-V214 HydrophobicContact CD1-CB 4.22Å; I177-V214 HydrophobicContact CD1-CG1 3.57Å; I177-V214 HydrophobicContact CG1-CG1 4.44Å; I177-V214 PolarHBondContact N-O 3.25Å; I177-V214 VanDerWaalsContact N-O 3.17Å; S212-V214 PolarHBondContact O-N 3.29Å; S212-V214 VanDerWaalsContact O-N 3.15Å
215A83.9Confident64.4Low0 Ų051.2 Ų51.20%027%0.267CS..EExtended strand (participates in β ladder)trans-126.1150.4-177.900000111.2I162 I164 C174 K175 M213I162-A215 HydrophobicContact CG1-CB 4.11Å; I162-A215 WeakPolarHBondContact CG1-O 3.34Å; I162-A215 PolarHBondContact N-O 3.08Å; I162-A215 PolarHBondContact O-N 3.25Å; I164-A215 HydrophobicContact CD1-CB 3.7Å; C174-A215 HydrophobicContact CB-CB 3.93Å; K175-A215 CarbonylContact O-C 3.6Å; K175-A215 WeakPolarHBondContact O-CA 3.31Å; K175-A215 WeakPolarHBondContact O-CB 3.38Å; M213-A215 HydrophobicContact CE-CB 3.91Å; M213-A215 HydrophobicContact SD-CB 4.34Å
216V86Confident65.8Low46 Ų4649.4 Ų49.428%0.27925%0.254SS..EExtended strand (participates in β ladder)trans-102.3128.4173.9-174.30000108.7D160 V161 C174 K175 I177 I218D160-V216 WeakPolarHBondContact O-CA 3.24Å; V161-V216 HydrophobicContact CG2-CG2 4.48Å; C174-V216 CarbonylContact C-O 3.51Å; C174-V216 VanDerWaalsContact CA-O 3.27Å; C174-V216 WeakPolarHBondContact CA-O 3.33Å; K175-V216 PolarHBondContact N-O 3.41Å; K175-V216 PolarHBondContact O-N 2.94Å; I177-V216 HydrophobicContact CD1-CG2 4.08Å; I177-V216 HydrophobicContact CG1-CG2 3.78Å; V216-I218 PolarHBondContact O-N 3.05Å
217V81.6Confident67.1Low2 Ų251.7 Ų51.71%0.01226%0.264CS..EExtended strand (participates in β ladder)trans-64.5124.8173.7174.40000109.1L156 V157 P158 G159 D160 I162 A172 H219L156-V217 HydrophobicContact CB-CG2 4.42Å; L156-V217 HydrophobicContact CD2-CG2 4.49Å; V157-V217 WeakPolarHBondContact O-CB 3.43Å; V157-V217 WeakPolarHBondContact O-CG1 3.35Å; P158-V217 WeakPolarHBondContact CA-O 3.23Å; G159-V217 PolarHBondContact N-O 3.35Å; D160-V217 HydrophobicContact CB-CB 4.37Å; D160-V217 HydrophobicContact CB-CG2 4.2Å; D160-V217 PolarHBondContact O-N 3.28Å; I162-V217 HydrophobicContact CD1-CG2 4.05Å; I162-V217 HydrophobicContact CG1-CG2 4.33Å; I162-V217 HydrophobicContact CG2-CG2 3.77Å; A172-V217 HydrophobicContact CB-CG1 4.4Å; V217-H219 VanDerWaalsContact CG1-O 3.31Å; V217-H219 WeakPolarHBondContact CG1-O 3.25Å
218I81.2Confident68.5Low60 Ų6048.1 Ų48.131%0.30825%0.248SC..SBendtrans-88.5-43.2179.3-47.7168.3000109.9F173 K175 I182 V216F173-I218 PolarHBondContact O-N 3.5Å; K175-I218 HydrophobicContact CB-CD1 3.88Å; K175-I218 HydrophobicContact CB-CG1 3.95Å; I182-I218 HydrophobicContact CB-CD1 4.39Å; I182-I218 HydrophobicContact CD1-CD1 4.27Å; I182-I218 HydrophobicContact CG1-CD1 4Å; I182-I218 HydrophobicContact CG2-CD1 3.68Å; V216-I218 PolarHBondContact O-N 3.05Å
219H74.2Confident69.5Low75 Ų7539.4 Ų39.435%0.34721%0.21SC..SBendtrans-132.6135.2-179.4-7816.5000109.9K16 F173 V217K16-H219 PolarHBondContact NZ-CE1 3.47Å; K16-H219 VanDerWaalsContact NZ-CE1 3.32Å; K16-H219 PolarHBondContact NZ-NE2 3.18Å; F173-H219 HydrophobicContact CB-CB 4.4Å; F173-H219 HydrophobicContact CD2-CB 4.37Å; V217-H219 VanDerWaalsContact CG1-O 3.31Å; V217-H219 WeakPolarHBondContact CG1-O 3.25Å
220S72.9Confident70.5Confident4 Ų439 Ų393%0.02820%0.203CC..  trans-64.1128171.6178.30000109.3L156 L222 V223L156-S220 WeakPolarHBondContact O-CB 3.25Å; L156-S220 PolarHBondContact O-OG 2.92Å; S220-L222 PolarHBondContact O-N 3.1Å; S220-L222 PolarHBondContact OG-N 3.39Å; S220-V223 WeakPolarHBondContact O-CB 3.39Å; S220-V223 PolarHBondContact O-N 3.49Å; S220-V223 VanDerWaalsContact O-N 3.09Å
221P73Confident70.9Confident4 Ų442.2 Ų42.23%0.02621%0.213CC..Hα-helixtrans-62.2-28.217626.9-34.5000111.5A153 L156 A172 V223 S224 Y225 L1246A153-P221 WeakPolarHBondContact O-CG 3.39Å; L156-P221 HydrophobicContact CB-CG 4.34Å; A172-P221 HydrophobicContact CB-CB 4.34Å; A172-P221 HydrophobicContact CB-CG 4.06Å; P221-V223 PolarHBondContact O-N 3.1Å; P221-S224 WeakPolarHBondContact O-CA 3.36Å; P221-S224 WeakPolarHBondContact O-CB 3.48Å; P221-S224 PolarHBondContact O-N 3.46Å; P221-Y225 HydrophobicContact CB-CD2 4.33Å; P221-Y225 HydrophobicContact CB-CE2 3.96Å; P221-Y225 WeakPolarHBondContact O-CD2 3.5Å; P221-Y225 PolarHBondContact O-N 3.46Å; P221-L1246 HydrophobicContact CB-CD1 4.41Å
222L71.5Confident70.6Confident20 Ų2036.2 Ų36.211%0.10519%0.187CC..Hα-helixtrans-58.9-33.7175.3-178.3149.8000112.2L13 F109 V154 S220 Y225 L226 L1324L13-L222 HydrophobicContact CD2-CD2 3.75Å; F109-L222 HydrophobicContact CE2-CD2 4.3Å; F109-L222 HydrophobicContact CZ-CD2 4.14Å; V154-L222 HydrophobicContact CG1-CD1 4.04Å; S220-L222 PolarHBondContact O-N 3.1Å; S220-L222 PolarHBondContact OG-N 3.39Å; L222-Y225 PolarHBondContact O-N 3.28Å; L222-L226 HydrophobicContact CD2-CD1 3.61Å; L222-L226 HydrophobicContact CD2-CG 4.07Å; L222-L226 WeakPolarHBondContact O-CB 3.42Å; L222-L226 WeakPolarHBondContact O-CG 3.43Å; L222-L226 PolarHBondContact O-N 3.32Å; L222-L1324 HydrophobicContact CD1-CD1 3.94Å
223V69.5Low69.9Low34 Ų3439.6 Ų39.621%0.20619%0.192CC..Hα-helixtrans-62.1-47.2172.7176.70000110.2L13 S220 P221 Y225 L226 E227L13-V223 HydrophobicContact CD2-CG2 3.47Å; L13-V223 VanDerWaalsContact CD2-CG2 3.47Å; L13-V223 HydrophobicContact CG-CG2 3.67Å; S220-V223 WeakPolarHBondContact O-CB 3.39Å; S220-V223 PolarHBondContact O-N 3.49Å; S220-V223 VanDerWaalsContact O-N 3.09Å; P221-V223 PolarHBondContact O-N 3.1Å; V223-Y225 PolarHBondContact O-N 3.45Å; V223-L226 PolarHBondContact O-N 3.14Å; V223-E227 WeakPolarHBondContact O-CB 3.49Å; V223-E227 PolarHBondContact O-N 2.93Å
224S67.9Low68.5Low30 Ų3043.9 Ų43.921%0.2122%0.218CC..Hα-helixtrans-61.1-41.7179-50.70000112.2P221 E227 I228P221-S224 WeakPolarHBondContact O-CA 3.36Å; P221-S224 WeakPolarHBondContact O-CB 3.48Å; P221-S224 PolarHBondContact O-N 3.46Å; S224-E227 PolarHBondContact O-N 3.49Å; S224-I228 WeakPolarHBondContact O-CB 3.48Å; S224-I228 WeakPolarHBondContact O-CD1 3.43Å; S224-I228 VanDerWaalsContact O-CG1 3.24Å; S224-I228 WeakPolarHBondContact O-CG1 3.41Å; S224-I228 PolarHBondContact O-N 2.96Å
225Y67Low66.6Low47 Ų4745.1 Ų45.118%0.18422%0.22CC..Hα-helixtrans-71.9-34.1177.4-66.2-65.8000113.1P221 L222 V223 I228 A229 L1246 Y1249 V1250P221-Y225 HydrophobicContact CB-CD2 4.33Å; P221-Y225 HydrophobicContact CB-CE2 3.96Å; P221-Y225 WeakPolarHBondContact O-CD2 3.5Å; P221-Y225 PolarHBondContact O-N 3.46Å; L222-Y225 PolarHBondContact O-N 3.28Å; V223-Y225 PolarHBondContact O-N 3.45Å; Y225-I228 HydrophobicContact CD1-CD1 4.26Å; Y225-I228 HydrophobicContact CE1-CD1 4.47Å; Y225-A229 VanDerWaalsContact O-CB 3.25Å; Y225-A229 WeakPolarHBondContact O-CB 3.31Å; Y225-A229 PolarHBondContact O-N 3.42Å; Y225-L1246 HydrophobicContact CD2-CD2 3.89Å; Y225-L1246 HydrophobicContact CE1-CB 4.42Å; Y225-L1246 HydrophobicContact CE2-CB 3.78Å; Y225-L1246 HydrophobicContact CE2-CD1 3.88Å; Y225-L1246 HydrophobicContact CE2-CD2 3.71Å; Y225-L1246 HydrophobicContact CE2-CG 4.01Å; Y225-Y1249 AromaticContact CD1-CD1 3.92Å; Y225-Y1249 HydrophobicContact CD1-CD1 3.92Å; Y225-Y1249 HydrophobicContact CD1-CG 4.29Å; Y225-V1250 HydrophobicContact CE1-CG2 4.37Å
226L67.8Low64.6Low11 Ų1148.8 Ų48.86%0.05824%0.24CC..Hα-helixtrans-66.6-40.6170.1-72.3-174.7000112F105 L222 V223 A229 F230 V1328F105-L226 HydrophobicContact CE1-CD1 4.39Å; F105-L226 HydrophobicContact CE1-CD2 4.29Å; F105-L226 HydrophobicContact CE2-CD2 4.28Å; F105-L226 HydrophobicContact CZ-CD1 4.11Å; F105-L226 HydrophobicContact CZ-CD2 3.58Å; L222-L226 HydrophobicContact CD2-CD1 3.61Å; L222-L226 HydrophobicContact CD2-CG 4.07Å; L222-L226 WeakPolarHBondContact O-CB 3.42Å; L222-L226 WeakPolarHBondContact O-CG 3.43Å; L222-L226 PolarHBondContact O-N 3.32Å; V223-L226 PolarHBondContact O-N 3.14Å; L226-A229 WeakPolarHBondContact O-CB 3.41Å; L226-A229 PolarHBondContact O-N 3.38Å; L226-F230 HydrophobicContact CB-CD2 4.3Å; L226-F230 HydrophobicContact CB-CE2 3.84Å; L226-F230 HydrophobicContact CD2-CE2 4.39Å; L226-F230 HydrophobicContact CD2-CZ 4.23Å; L226-F230 HydrophobicContact CG-CE2 4.48Å; L226-F230 WeakPolarHBondContact O-CD2 3.29Å; L226-F230 VanDerWaalsContact O-CG 3.27Å; L226-F230 WeakPolarHBondContact O-CG 3.46Å; L226-F230 PolarHBondContact O-N 3.02Å; L226-V1328 HydrophobicContact CD2-CG1 4.32Å; L226-V1328 HydrophobicContact CD2-CG2 3.8Å
227E67.2Low62.3Low107 Ų10749.4 Ų49.450%0.526%0.256SS..Hα-helixtrans-60.9-46.5174.6-168.1-172.8158.400111V223 S224 A229 F230 R231V223-E227 WeakPolarHBondContact O-CB 3.49Å; V223-E227 PolarHBondContact O-N 2.93Å; S224-E227 PolarHBondContact O-N 3.49Å; E227-A229 VanDerWaalsContact C-N 3.33Å; E227-A229 PolarHBondContact O-N 2.89Å; E227-F230 PolarHBondContact O-N 3.34Å; E227-R231 WeakPolarHBondContact O-CB 3.49Å; E227-R231 PolarHBondContact O-N 3.04Å
228I64.5Low60Low61 Ų6156.7 Ų56.731%0.31328%0.284SS..Hα-helixtrans-58-45.4173.6-70.1164.1000110.7S224 Y225 F230 S232 Y1249 Q1253S224-I228 WeakPolarHBondContact O-CB 3.48Å; S224-I228 WeakPolarHBondContact O-CD1 3.43Å; S224-I228 VanDerWaalsContact O-CG1 3.24Å; S224-I228 WeakPolarHBondContact O-CG1 3.41Å; S224-I228 PolarHBondContact O-N 2.96Å; Y225-I228 HydrophobicContact CD1-CD1 4.26Å; Y225-I228 HydrophobicContact CE1-CD1 4.47Å; I228-F230 PolarHBondContact O-N 3.31Å; I228-S232 WeakPolarHBondContact O-CB 3.5Å; I228-S232 PolarHBondContact O-N 2.87Å; I228-S232 PolarHBondContact O-OG 3.13Å; I228-S232 VanDerWaalsContact O-OG 3.07Å; I228-Y1249 HydrophobicContact CG2-CE1 4.39Å; I228-Q1253 PolarHBondContact O-OE1 3.08Å; I228-Q1253 VanDerWaalsContact O-OE1 3.08Å
229A59.9Low57.7Low0 Ų058.6 Ų58.60%030%0.299CS..Hα-helixtrans-64-36.9178.900000113.9Y225 L226 E227 S232 R233 Y1249 V1328Y225-A229 VanDerWaalsContact O-CB 3.25Å; Y225-A229 WeakPolarHBondContact O-CB 3.31Å; Y225-A229 PolarHBondContact O-N 3.42Å; L226-A229 WeakPolarHBondContact O-CB 3.41Å; L226-A229 PolarHBondContact O-N 3.38Å; E227-A229 VanDerWaalsContact C-N 3.33Å; E227-A229 PolarHBondContact O-N 2.89Å; A229-S232 PolarHBondContact O-OG 3.15Å; A229-R233 WeakPolarHBondContact O-CD 3.44Å; A229-R233 WeakPolarHBondContact O-CG 3.24Å; A229-R233 PolarHBondContact O-N 3.06Å; A229-Y1249 HydrophobicContact CB-CE1 4.01Å; A229-Y1249 WeakPolarHBondContact CB-OH 3.31Å; A229-V1328 HydrophobicContact CB-CG1 3.71Å
230F58.9Low56.1Low35 Ų3558.9 Ų58.915%0.15430%0.299CS..Hα-helixtrans-81.6-41.6178.3-61.4-42.4000111.6M17 F102 F105 L226 E227 I228 S232 R233 V234M17-F230 HydrophobicContact SD-CE2 4.37Å; F102-F230 AromaticContact CD2-CD1 3.86Å; F102-F230 HydrophobicContact CD2-CD1 3.86Å; F102-F230 AromaticContact CD2-CE1 3.55Å; F102-F230 HydrophobicContact CD2-CE1 3.55Å; F102-F230 AromaticContact CD2-CZ 3.97Å; F102-F230 HydrophobicContact CD2-CZ 3.97Å; F102-F230 AromaticContact CE2-CD1 3.78Å; F102-F230 HydrophobicContact CE2-CD1 3.78Å; F102-F230 HydrophobicContact CE2-CD2 4.02Å; F102-F230 AromaticContact CE2-CE1 3.47Å; F102-F230 HydrophobicContact CE2-CE1 3.47Å; F102-F230 VanDerWaalsContact CE2-CE1 3.47Å; F102-F230 AromaticContact CE2-CE2 3.71Å; F102-F230 HydrophobicContact CE2-CE2 3.71Å; F102-F230 HydrophobicContact CE2-CG 4.07Å; F102-F230 AromaticContact CE2-CZ 3.44Å; F102-F230 HydrophobicContact CE2-CZ 3.44Å; F102-F230 VanDerWaalsContact CE2-CZ 3.44Å; F102-F230 HydrophobicContact CZ-CE2 4.49Å; F102-F230 HydrophobicContact CZ-CZ 4.43Å; F105-F230 HydrophobicContact CD1-CZ 4.05Å; F105-F230 AromaticContact CE1-CZ 3.78Å; F105-F230 HydrophobicContact CE1-CZ 3.78Å; F105-F230 HydrophobicContact CZ-CZ 4.41Å; L226-F230 HydrophobicContact CB-CD2 4.3Å; L226-F230 HydrophobicContact CB-CE2 3.84Å; L226-F230 HydrophobicContact CD2-CE2 4.39Å; L226-F230 HydrophobicContact CD2-CZ 4.23Å; L226-F230 HydrophobicContact CG-CE2 4.48Å; L226-F230 WeakPolarHBondContact O-CD2 3.29Å; L226-F230 VanDerWaalsContact O-CG 3.27Å; L226-F230 WeakPolarHBondContact O-CG 3.46Å; L226-F230 PolarHBondContact O-N 3.02Å; E227-F230 PolarHBondContact O-N 3.34Å; I228-F230 PolarHBondContact O-N 3.31Å; F230-S232 VanDerWaalsContact C-N 3.34Å; F230-S232 PolarHBondContact O-N 2.97Å; F230-R233 PolarHBondContact O-N 3.37Å; F230-V234 WeakPolarHBondContact O-CG2 3.35Å; F230-V234 PolarHBondContact O-N 3.46Å; F230-V234 VanDerWaalsContact O-N 3.08Å
231R58.2Low54.8Low95 Ų9562.5 Ų62.536%0.35832%0.315SS..Hα-helixtrans-60.5-42.9176.7-175.2169176.4-165.2-13.5111.4E227 V234 E235 F1044E227-R231 WeakPolarHBondContact O-CB 3.49Å; E227-R231 PolarHBondContact O-N 3.04Å; R231-V234 PolarHBondContact O-N 3.39Å; R231-E235 HydrophobicContact CG-CG 4.29Å; R231-E235 IonicContact CZ-OE1 2.84Å; R231-E235 IonicContact NE-OE1 3.76Å; R231-E235 PolarHBondContact NE-OE1 3.14Å; R231-E235 IonicContact NE-OE2 2.67Å; R231-E235 PolarHBondContact NE-OE2 3.46Å; R231-E235 IonicContact NH2-OE1 2.71Å; R231-E235 PolarHBondContact NH2-OE1 3.25Å; R231-E235 IonicContact NH2-OE2 2.75Å; R231-E235 WeakPolarHBondContact O-CB 3.32Å; R231-E235 WeakPolarHBondContact O-CG 3.5Å; R231-E235 PolarHBondContact O-N 2.89Å; R231-F1044 PolarHBondContact NH2-O 3.01Å
232S52Low53.8Low14 Ų1462.5 Ų62.510%0.09832%0.315CS..Hα-helixtrans-67.1-38.7175.868.10000113.3I228 A229 F230 V234 E235 N236 Q1253I228-S232 WeakPolarHBondContact O-CB 3.5Å; I228-S232 PolarHBondContact O-N 2.87Å; I228-S232 PolarHBondContact O-OG 3.13Å; I228-S232 VanDerWaalsContact O-OG 3.07Å; A229-S232 PolarHBondContact O-OG 3.15Å; F230-S232 VanDerWaalsContact C-N 3.34Å; F230-S232 PolarHBondContact O-N 2.97Å; S232-V234 PolarHBondContact O-N 3.07Å; S232-E235 PolarHBondContact O-N 3.39Å; S232-N236 WeakPolarHBondContact O-CA 3.42Å; S232-N236 WeakPolarHBondContact O-CB 3.36Å; S232-N236 PolarHBondContact O-N 3.28Å; S232-Q1253 PolarHBondContact OG-OE1 3.33Å
233R51.6Low52.6Low120 Ų12062.6 Ų62.645%0.45332%0.316SS..Hα-helixtrans-63.7-22.9173.2-73.1172.3-172.8-178.44.6112.9A229 F230 V1328A229-R233 WeakPolarHBondContact O-CD 3.44Å; A229-R233 WeakPolarHBondContact O-CG 3.24Å; A229-R233 PolarHBondContact O-N 3.06Å; F230-R233 PolarHBondContact O-N 3.37Å; R233-V1328 PolarHBondContact NH2-O 3.49Å; R233-V1328 VanDerWaalsContact NH2-O 3.16Å
234V46.7Very low51.6Low99 Ų9961.5 Ų61.560%0.631%0.31SS*.Hα-helixtrans-88.6-45.4174.9172.90000112.1F230 R231 S232F230-V234 WeakPolarHBondContact O-CG2 3.35Å; F230-V234 PolarHBondContact O-N 3.46Å; F230-V234 VanDerWaalsContact O-N 3.08Å; R231-V234 PolarHBondContact O-N 3.39Å; S232-V234 PolarHBondContact O-N 3.07Å
235E42.4Very low50.7Low84 Ų8463.2 Ų63.239%0.39331%0.313SS..Hα-helixtrans-78.5-40.6-176.4-69.3176.7174.400112.5R231 S232 G237R231-E235 HydrophobicContact CG-CG 4.29Å; R231-E235 IonicContact CZ-OE1 2.84Å; R231-E235 IonicContact NE-OE1 3.76Å; R231-E235 PolarHBondContact NE-OE1 3.14Å; R231-E235 IonicContact NE-OE2 2.67Å; R231-E235 PolarHBondContact NE-OE2 3.46Å; R231-E235 IonicContact NH2-OE1 2.71Å; R231-E235 PolarHBondContact NH2-OE1 3.25Å; R231-E235 IonicContact NH2-OE2 2.75Å; R231-E235 WeakPolarHBondContact O-CB 3.32Å; R231-E235 WeakPolarHBondContact O-CG 3.5Å; R231-E235 PolarHBondContact O-N 2.89Å; S232-E235 PolarHBondContact O-N 3.39Å; E235-G237 PolarHBondContact O-N 3.48Å
236N42.1Very low50Low77 Ų7763.8 Ų63.841%0.41232%0.316SS..G310 helixtrans-79.49.9178.9-64.3-30.5000114.3S232 Y238 T239S232-N236 WeakPolarHBondContact O-CA 3.42Å; S232-N236 WeakPolarHBondContact O-CB 3.36Å; S232-N236 PolarHBondContact O-N 3.28Å; N236-Y238 PolarHBondContact O-N 2.98Å; N236-T239 PolarHBondContact O-N 2.97Å; N236-T239 PolarHBondContact OD1-OG1 2.98Å
237G37.7Very low49.2Very low59 Ų5965 Ų6561%0.60832%0.324SS*.G310 helixtrans-56-13.1164.200000113.6E235E235-G237 PolarHBondContact O-N 3.48Å
238Y32.8Very low48.4Very low154 Ų15461.6 Ų61.660%0.60431%0.311SS*.G310 helixtrans-126.846.3176.1-66.4-85.6000114.5N236N236-Y238 PolarHBondContact O-N 2.98Å
239T35Very low47.7Very low100 Ų10060.3 Ų60.361%0.61330%0.304SS*.THydrogen-bonded Turntrans-147.7-34.8164.130.20000113.7N236 Q241N236-T239 PolarHBondContact O-N 2.97Å; N236-T239 PolarHBondContact OD1-OG1 2.98Å; T239-Q241 PolarHBondContact O-N 3.44Å
240F39.6Very low47.4Very low81 Ų8162.4 Ų62.436%0.35532%0.317SS..  trans-77.187.6177.2-132-81.5000110.9P242 T390 D1256F240-P242 WeakPolarHBondContact O-CD 3.46Å; F240-T390 HydrophobicContact CE1-CG2 4.07Å; F240-T390 HydrophobicContact CZ-CG2 4.4Å; F240-D1256 HydrophobicContact CE2-CB 4.48Å; F240-D1256 WeakPolarHBondContact CE2-OD1 3.29Å; F240-D1256 HydrophobicContact CZ-CB 3.96Å; F240-D1256 WeakPolarHBondContact CZ-OD1 3.26Å
241Q45.7Very low47.1Very low80 Ų8063.2 Ų63.237%0.37433%0.33SS..  trans-76.3101153-74.7-168.1-21.700107.7T239 Y245 R1485T239-Q241 PolarHBondContact O-N 3.44Å; Q241-Y245 HydrophobicContact CB-CD1 4.34Å; Q241-Y245 HydrophobicContact CG-CD1 3.81Å; Q241-Y245 HydrophobicContact CG-CE1 4.32Å; Q241-R1485 PolarHBondContact O-NH2 3Å
242P51.4Low46.8Very low4 Ų460.9 Ų60.93%0.02633%0.326CS..  trans-64.5160.5168.830.9-37.4000109.4F240 A244 Y245 K246 N386F240-P242 WeakPolarHBondContact O-CD 3.46Å; P242-A244 HydrophobicContact CG-CB 4.45Å; P242-A244 PolarHBondContact O-N 3.12Å; P242-Y245 PolarHBondContact O-N 3.18Å; P242-K246 PolarHBondContact O-N 3.02Å; P242-N386 WeakPolarHBondContact CB-OD1 3.4Å; P242-N386 VanDerWaalsContact CG-OD1 3.31Å; P242-N386 WeakPolarHBondContact CG-OD1 3.46Å
243L47.8Very low46.9Very low23 Ų2365.4 Ų65.412%0.1234%0.341CS..Hα-helixtrans-57.7-36.9177.6-168.975.8000111.6Y245 K246 V247 L389 T393 L1488L243-Y245 VanDerWaalsContact C-N 3.28Å; L243-Y245 PolarHBondContact O-N 3.4Å; L243-K246 PolarHBondContact O-N 3.37Å; L243-K246 VanDerWaalsContact O-N 3.16Å; L243-V247 HydrophobicContact CG-CG2 4.18Å; L243-V247 WeakPolarHBondContact O-CG2 3.16Å; L243-V247 PolarHBondContact O-N 3.49Å; L243-L389 HydrophobicContact CB-CB 4.39Å; L243-T393 HydrophobicContact CD2-CG2 3.43Å; L243-T393 VanDerWaalsContact CD2-CG2 3.43Å; L243-L1488 HydrophobicContact CD1-CD1 3.57Å; L243-L1488 HydrophobicContact CD1-CD2 4.44Å
244A47.8Very low47Very low10 Ų1063.6 Ų63.68%0.08334%0.344CS..Hα-helixtrans-48.1-48.3168.600000112.3P242 V247 V248 W310 L389P242-A244 HydrophobicContact CG-CB 4.45Å; P242-A244 PolarHBondContact O-N 3.12Å; A244-V247 PolarHBondContact O-N 3.42Å; A244-V248 VanDerWaalsContact O-CB 3.24Å; A244-V248 WeakPolarHBondContact O-CB 3.47Å; A244-V248 VanDerWaalsContact O-CG2 3.28Å; A244-V248 WeakPolarHBondContact O-CG2 3.49Å; A244-V248 PolarHBondContact O-N 3.06Å; A244-W310 HydrophobicContact CB-CH2 4.17Å; A244-W310 HydrophobicContact CB-CZ2 3.89Å; A244-L389 HydrophobicContact CB-CD1 3.31Å
245Y48.9Very low47.3Very low66 Ų6660 Ų6026%0.25932%0.323SS..Hα-helixtrans-67.3-43.2-178.6-174.3-99.4000110.8Q241 P242 L243 V247 D249Q241-Y245 HydrophobicContact CB-CD1 4.34Å; Q241-Y245 HydrophobicContact CG-CD1 3.81Å; Q241-Y245 HydrophobicContact CG-CE1 4.32Å; P242-Y245 PolarHBondContact O-N 3.18Å; L243-Y245 VanDerWaalsContact C-N 3.28Å; L243-Y245 PolarHBondContact O-N 3.4Å; Y245-V247 PolarHBondContact O-N 3.41Å; Y245-D249 HydrophobicContact CD1-CB 4.37Å; Y245-D249 HydrophobicContact CE1-CB 4.07Å; Y245-D249 HydrophobicContact CE2-CB 4.33Å; Y245-D249 WeakPolarHBondContact O-CA 3.4Å; Y245-D249 WeakPolarHBondContact O-CB 3.46Å; Y245-D249 PolarHBondContact O-N 2.72Å; Y245-D249 PolarHBondContact OH-OD1 2.71Å
246K51.4Low47.8Very low59 Ų5956.7 Ų56.726%0.25731%0.308SS..Hα-helixtrans-63.8-38.6175-76.7-165.8178-174.80113P242 L243 T250P242-K246 PolarHBondContact O-N 3.02Å; L243-K246 PolarHBondContact O-N 3.37Å; L243-K246 VanDerWaalsContact O-N 3.16Å; K246-T250 WeakPolarHBondContact O-CB 3.43Å; K246-T250 VanDerWaalsContact O-CG2 3.27Å; K246-T250 WeakPolarHBondContact O-CG2 3.44Å; K246-T250 PolarHBondContact O-N 2.75Å; K246-T250 PolarHBondContact O-OG1 3.09Å
247V51.5Low48.6Very low38 Ų3857.9 Ų57.923%0.2331%0.313CS..Hα-helixtrans-73.1-46.3-179.9173.20000111.5L243 A244 Y245 T250 A251 L1360L243-V247 HydrophobicContact CG-CG2 4.18Å; L243-V247 WeakPolarHBondContact O-CG2 3.16Å; L243-V247 PolarHBondContact O-N 3.49Å; A244-V247 PolarHBondContact O-N 3.42Å; Y245-V247 PolarHBondContact O-N 3.41Å; V247-T250 WeakPolarHBondContact CA-OG1 3.37Å; V247-T250 PolarHBondContact O-N 2.96Å; V247-T250 PolarHBondContact O-OG1 3.38Å; V247-A251 WeakPolarHBondContact O-CB 3.47Å; V247-A251 PolarHBondContact O-N 3.34Å; V247-L1360 HydrophobicContact CG1-CD1 3.94Å
248V51.5Low49.4Very low35 Ų3557.1 Ų57.121%0.21230%0.295CS..Hα-helixtrans-68.9-43.2176.9175.80000110.7A244 T250 A251 V252 Y307 W310A244-V248 VanDerWaalsContact O-CB 3.24Å; A244-V248 WeakPolarHBondContact O-CB 3.47Å; A244-V248 VanDerWaalsContact O-CG2 3.28Å; A244-V248 WeakPolarHBondContact O-CG2 3.49Å; A244-V248 PolarHBondContact O-N 3.06Å; V248-T250 PolarHBondContact O-N 3.14Å; V248-A251 CarbonylContact O-C 3.6Å; V248-A251 PolarHBondContact O-N 2.88Å; V248-V252 HydrophobicContact CG1-CG2 4.17Å; V248-V252 VanDerWaalsContact O-CB 3.31Å; V248-V252 WeakPolarHBondContact O-CB 3.28Å; V248-V252 WeakPolarHBondContact O-CG2 3.4Å; V248-V252 PolarHBondContact O-N 3.24Å; V248-Y307 HydrophobicContact CG1-CE1 4.37Å; V248-W310 HydrophobicContact CG2-CD2 4.11Å; V248-W310 HydrophobicContact CG2-CE3 4.46Å; V248-W310 HydrophobicContact CG2-CH2 4.13Å; V248-W310 HydrophobicContact CG2-CZ2 3.76Å; V248-W310 HydrophobicContact CG2-CZ3 4.46Å
249D49.4Very low50.4Low34 Ų3453 Ų5318%0.18228%0.279CS..Hα-helixtrans-63.9-39.5175.7-167.162.7000110.9Y245 V252 W253Y245-D249 HydrophobicContact CD1-CB 4.37Å; Y245-D249 HydrophobicContact CE1-CB 4.07Å; Y245-D249 HydrophobicContact CE2-CB 4.33Å; Y245-D249 WeakPolarHBondContact O-CA 3.4Å; Y245-D249 WeakPolarHBondContact O-CB 3.46Å; Y245-D249 PolarHBondContact O-N 2.72Å; Y245-D249 PolarHBondContact OH-OD1 2.71Å; D249-V252 CarbonylContact O-C 3.59Å; D249-V252 PolarHBondContact O-N 3.28Å; D249-W253 WeakPolarHBondContact O-CB 3.35Å; D249-W253 PolarHBondContact O-N 3.48Å; D249-W253 VanDerWaalsContact OD2-CD1 3.26Å; D249-W253 PolarHBondContact OD2-NE1 3.49Å
250T53.5Low51.3Low44 Ų4450 Ų5027%0.2726%0.263SS..Hα-helixtrans-68.2-36.2172.150.20000113.3K246 V247 V248 V252 W253 V254 F1489K246-T250 WeakPolarHBondContact O-CB 3.43Å; K246-T250 VanDerWaalsContact O-CG2 3.27Å; K246-T250 WeakPolarHBondContact O-CG2 3.44Å; K246-T250 PolarHBondContact O-N 2.75Å; K246-T250 PolarHBondContact O-OG1 3.09Å; V247-T250 WeakPolarHBondContact CA-OG1 3.37Å; V247-T250 PolarHBondContact O-N 2.96Å; V247-T250 PolarHBondContact O-OG1 3.38Å; V248-T250 PolarHBondContact O-N 3.14Å; T250-V252 VanDerWaalsContact C-N 3.34Å; T250-W253 PolarHBondContact O-N 2.93Å; T250-V254 WeakPolarHBondContact O-CB 3.38Å; T250-V254 VanDerWaalsContact O-CG2 3.28Å; T250-V254 WeakPolarHBondContact O-CG2 3.27Å; T250-V254 PolarHBondContact O-N 2.8Å; T250-F1489 HydrophobicContact CG2-CD2 4.38Å; T250-F1489 HydrophobicContact CG2-CE1 4.2Å; T250-F1489 HydrophobicContact CG2-CE2 3.9Å; T250-F1489 HydrophobicContact CG2-CZ 3.8Å; T250-F1489 WeakPolarHBondContact OG1-CZ 3.49Å
251A51.8Low52.1Low52 Ų5248.8 Ų48.843%0.4326%0.264SS..Hα-helixtrans-66.8-35.9172.500000112.1V247 V248 S255V247-A251 WeakPolarHBondContact O-CB 3.47Å; V247-A251 PolarHBondContact O-N 3.34Å; V248-A251 CarbonylContact O-C 3.6Å; V248-A251 PolarHBondContact O-N 2.88Å; A251-S255 WeakPolarHBondContact O-CB 3.39Å; A251-S255 PolarHBondContact O-N 2.94Å
252V51.9Low52.5Low45 Ų4547.3 Ų47.327%0.27326%0.258SS..Hα-helixtrans-70.5-41.8173.9168.20000110.8V248 D249 T250 S255 L256 Y307V248-V252 HydrophobicContact CG1-CG2 4.17Å; V248-V252 VanDerWaalsContact O-CB 3.31Å; V248-V252 WeakPolarHBondContact O-CB 3.28Å; V248-V252 WeakPolarHBondContact O-CG2 3.4Å; V248-V252 PolarHBondContact O-N 3.24Å; D249-V252 CarbonylContact O-C 3.59Å; D249-V252 PolarHBondContact O-N 3.28Å; T250-V252 VanDerWaalsContact C-N 3.34Å; V252-S255 CarbonylContact O-C 3.53Å; V252-S255 PolarHBondContact O-N 3.32Å; V252-L256 WeakPolarHBondContact O-CB 3.5Å; V252-L256 PolarHBondContact O-N 2.82Å; V252-Y307 WeakPolarHBondContact CG2-OH 3.49Å
253W54.3Low52.6Low109 Ų10949.5 Ų49.541%0.41327%0.272SS..Hα-helixtrans-65.2-39.5172.7-86.4106.7000111.9D249 T250 L256 I257D249-W253 WeakPolarHBondContact O-CB 3.35Å; D249-W253 PolarHBondContact O-N 3.48Å; D249-W253 VanDerWaalsContact OD2-CD1 3.26Å; D249-W253 PolarHBondContact OD2-NE1 3.49Å; T250-W253 PolarHBondContact O-N 2.93Å; W253-L256 HydrophobicContact CE3-CD2 4.1Å; W253-L256 HydrophobicContact CZ3-CD2 4.04Å; W253-L256 PolarHBondContact O-N 2.8Å; W253-I257 VanDerWaalsContact O-CB 3.27Å; W253-I257 WeakPolarHBondContact O-CB 3.18Å; W253-I257 WeakPolarHBondContact O-CD1 3.45Å; W253-I257 WeakPolarHBondContact O-CG1 3.45Å; W253-I257 PolarHBondContact O-N 3.39Å
254V53.8Low52.9Low83 Ų8353.7 Ų53.750%0.50329%0.293SS..Hα-helixtrans-64.9-45.5172.3167.40000110.5T250 L256 I257 I258T250-V254 WeakPolarHBondContact O-CB 3.38Å; T250-V254 VanDerWaalsContact O-CG2 3.28Å; T250-V254 WeakPolarHBondContact O-CG2 3.27Å; T250-V254 PolarHBondContact O-N 2.8Å; V254-L256 VanDerWaalsContact C-N 3.3Å; V254-L256 PolarHBondContact O-N 3.46Å; V254-I257 PolarHBondContact O-N 3.2Å; V254-I258 HydrophobicContact CG1-CD1 3.84Å; V254-I258 WeakPolarHBondContact O-CB 3.23Å; V254-I258 WeakPolarHBondContact O-CD1 3.33Å; V254-I258 VanDerWaalsContact O-CG1 3.23Å; V254-I258 WeakPolarHBondContact O-CG1 3.44Å; V254-I258 PolarHBondContact O-N 3.02Å
255S53.9Low53.3Low23 Ų2357.6 Ų57.616%0.16131%0.312CS..Hα-helixtrans-60.6-38174.5-171.90000112.3A251 V252 K259 S303A251-S255 WeakPolarHBondContact O-CB 3.39Å; A251-S255 PolarHBondContact O-N 2.94Å; V252-S255 CarbonylContact O-C 3.53Å; V252-S255 PolarHBondContact O-N 3.32Å; S255-K259 WeakPolarHBondContact O-CB 3.23Å; S255-K259 WeakPolarHBondContact O-CD 3.42Å; S255-K259 WeakPolarHBondContact O-CG 3.42Å; S255-K259 PolarHBondContact O-N 2.96Å; S255-K259 WeakPolarHBondContact OG-CE 3.31Å; S255-K259 PolarHBondContact OG-NZ 2.87Å; S255-S303 PolarHBondContact OG-OG 3.32Å
256L52.1Low53.4Low15 Ų1556.9 Ų56.98%0.07931%0.31CS..Hα-helixtrans-77.3-34.7179.2-173.9145.7000111.6V252 W253 V254 K259 C260V252-L256 WeakPolarHBondContact O-CB 3.5Å; V252-L256 PolarHBondContact O-N 2.82Å; W253-L256 HydrophobicContact CE3-CD2 4.1Å; W253-L256 HydrophobicContact CZ3-CD2 4.04Å; W253-L256 PolarHBondContact O-N 2.8Å; V254-L256 VanDerWaalsContact C-N 3.3Å; V254-L256 PolarHBondContact O-N 3.46Å; L256-K259 PolarHBondContact O-N 3.33Å; L256-C260 WeakPolarHBondContact O-CB 3.13Å; L256-C260 PolarHBondContact O-N 3.23Å; L256-C260 PolarHBondContact O-SG 3.02Å
257I58.3Low53.6Low102 Ų10258.9 Ų58.952%0.52332%0.323SS..Hα-helixtrans-65.7-44.1170.5-73.4162.2000109.9W253 V254 C260 S261W253-I257 VanDerWaalsContact O-CB 3.27Å; W253-I257 WeakPolarHBondContact O-CB 3.18Å; W253-I257 WeakPolarHBondContact O-CD1 3.45Å; W253-I257 WeakPolarHBondContact O-CG1 3.45Å; W253-I257 PolarHBondContact O-N 3.39Å; V254-I257 PolarHBondContact O-N 3.2Å; I257-C260 PolarHBondContact O-N 3.49Å; I257-S261 VanDerWaalsContact O-CB 3.3Å; I257-S261 WeakPolarHBondContact O-CB 3.45Å; I257-S261 PolarHBondContact O-N 3.29Å; I257-S261 PolarHBondContact O-OG 3.02Å
258I54.6Low53.7Low43 Ų4360.3 Ų60.322%0.22133%0.332CS..Hα-helixtrans-59.1-52.5173.4-70.1165.3000109.8V254 C260 S261 I262 I299 L1368V254-I258 HydrophobicContact CG1-CD1 3.84Å; V254-I258 WeakPolarHBondContact O-CB 3.23Å; V254-I258 WeakPolarHBondContact O-CD1 3.33Å; V254-I258 VanDerWaalsContact O-CG1 3.23Å; V254-I258 WeakPolarHBondContact O-CG1 3.44Å; V254-I258 PolarHBondContact O-N 3.02Å; I258-C260 PolarHBondContact O-N 2.96Å; I258-S261 PolarHBondContact O-N 3.29Å; I258-S261 PolarHBondContact O-OG 3.42Å; I258-I262 HydrophobicContact CG2-CD1 3.9Å; I258-I262 WeakPolarHBondContact O-CG1 3.37Å; I258-I262 PolarHBondContact O-N 3.19Å; I258-I299 HydrophobicContact CG2-CD1 4.02Å; I258-I299 HydrophobicContact CG2-CG2 4.36Å; I258-L1368 HydrophobicContact CD1-CD1 4.44Å
259K53.4Low53.7Low66 Ų6660.7 Ų60.729%0.28734%0.337SS..Hα-helixtrans-58.1-47.9176.3-74.4160.7-175.8153.80112.8S255 L256 S261 I262 T263 I299 S303S255-K259 WeakPolarHBondContact O-CB 3.23Å; S255-K259 WeakPolarHBondContact O-CD 3.42Å; S255-K259 WeakPolarHBondContact O-CG 3.42Å; S255-K259 PolarHBondContact O-N 2.96Å; S255-K259 WeakPolarHBondContact OG-CE 3.31Å; S255-K259 PolarHBondContact OG-NZ 2.87Å; L256-K259 PolarHBondContact O-N 3.33Å; K259-S261 PolarHBondContact O-N 3.48Å; K259-I262 PolarHBondContact O-N 3.34Å; K259-T263 PolarHBondContact O-N 2.72Å; K259-T263 PolarHBondContact O-OG1 2.94Å; K259-I299 HydrophobicContact CG-CG2 4.05Å; K259-S303 WeakPolarHBondContact CE-OG 3.43Å; K259-S303 PolarHBondContact NZ-OG 3.12Å
260C54.6Low54Low39 Ų3962.1 Ų62.126%0.26434%0.343SS..Hα-helixtrans-61.4-42.8178.5-76.90000112L256 I257 I258 I262 T263 L264L256-C260 WeakPolarHBondContact O-CB 3.13Å; L256-C260 PolarHBondContact O-N 3.23Å; L256-C260 PolarHBondContact O-SG 3.02Å; I257-C260 PolarHBondContact O-N 3.49Å; I258-C260 PolarHBondContact O-N 2.96Å; C260-I262 VanDerWaalsContact C-N 3.33Å; C260-I262 PolarHBondContact O-N 2.72Å; C260-T263 VanDerWaalsContact CA-OG1 3.28Å; C260-T263 WeakPolarHBondContact CA-OG1 3.39Å; C260-T263 PolarHBondContact O-N 3.47Å; C260-T263 PolarHBondContact O-OG1 3.48Å; C260-L264 WeakPolarHBondContact O-CB 3.28Å; C260-L264 PolarHBondContact O-N 3.42Å
261S57.5Low54.1Low55 Ų5567.2 Ų67.239%0.38536%0.362SS..Hα-helixtrans-63-39.5175.468.20000111.8I257 I258 K259 L264 I265I257-S261 VanDerWaalsContact O-CB 3.3Å; I257-S261 WeakPolarHBondContact O-CB 3.45Å; I257-S261 PolarHBondContact O-N 3.29Å; I257-S261 PolarHBondContact O-OG 3.02Å; I258-S261 PolarHBondContact O-N 3.29Å; I258-S261 PolarHBondContact O-OG 3.42Å; K259-S261 PolarHBondContact O-N 3.48Å; S261-L264 PolarHBondContact O-N 2.82Å; S261-I265 WeakPolarHBondContact O-CB 3.3Å; S261-I265 WeakPolarHBondContact O-CD1 3.35Å; S261-I265 VanDerWaalsContact O-CG1 3.24Å; S261-I265 WeakPolarHBondContact O-CG1 3.23Å; S261-I265 PolarHBondContact O-N 3.1Å
262I53.5Low54.4Low49 Ų4970.1 Ų70.125%0.25137%0.369SS..Hα-helixtrans-71.5-39.7176.7-68.4169.8000111.4I258 K259 C260 L264 I265 F266 F295 I299I258-I262 HydrophobicContact CG2-CD1 3.9Å; I258-I262 WeakPolarHBondContact O-CG1 3.37Å; I258-I262 PolarHBondContact O-N 3.19Å; K259-I262 PolarHBondContact O-N 3.34Å; C260-I262 VanDerWaalsContact C-N 3.33Å; C260-I262 PolarHBondContact O-N 2.72Å; I262-L264 VanDerWaalsContact C-N 3.28Å; I262-L264 PolarHBondContact O-N 3.16Å; I262-I265 PolarHBondContact O-N 3.32Å; I262-F266 VanDerWaalsContact O-CB 3.24Å; I262-F266 WeakPolarHBondContact O-CB 3.21Å; I262-F266 PolarHBondContact O-N 2.91Å; I262-F295 HydrophobicContact CD1-CD1 4.26Å; I262-I299 HydrophobicContact CD1-CD1 3.23Å
263T52.6Low54.3Low50 Ų5070 Ų7031%0.30738%0.378SS..Hα-helixtrans-68.4-27.9172.153.70000112.6K259 C260 F266 L267K259-T263 PolarHBondContact O-N 2.72Å; K259-T263 PolarHBondContact O-OG1 2.94Å; C260-T263 VanDerWaalsContact CA-OG1 3.28Å; C260-T263 WeakPolarHBondContact CA-OG1 3.39Å; C260-T263 PolarHBondContact O-N 3.47Å; C260-T263 PolarHBondContact O-OG1 3.48Å; T263-F266 WeakPolarHBondContact O-CB 3.5Å; T263-L267 WeakPolarHBondContact O-CB 3.5Å; T263-L267 VanDerWaalsContact O-CG 3.24Å; T263-L267 WeakPolarHBondContact O-CG 3.31Å; T263-L267 PolarHBondContact O-N 2.91Å
264L55.6Low54.2Low110 Ų11068.5 Ų68.558%0.57639%0.388SS*.Hα-helixtrans-75.2-44.2175.4-171.4148.7000110.5C260 S261 I262 F266 L267 T268C260-L264 WeakPolarHBondContact O-CB 3.28Å; C260-L264 PolarHBondContact O-N 3.42Å; S261-L264 PolarHBondContact O-N 2.82Å; I262-L264 VanDerWaalsContact C-N 3.28Å; I262-L264 PolarHBondContact O-N 3.16Å; L264-F266 VanDerWaalsContact C-N 3.28Å; L264-F266 PolarHBondContact O-N 2.96Å; L264-L267 PolarHBondContact O-N 2.86Å; L264-T268 HydrophobicContact CD2-CG2 4.11Å; L264-T268 WeakPolarHBondContact O-CG2 3.17Å; L264-T268 PolarHBondContact O-N 2.66Å; L264-T268 PolarHBondContact O-OG1 3.23Å; L264-T268 VanDerWaalsContact O-OG1 3.08Å
265I55.9Low54.2Low92 Ų9268.7 Ų68.747%0.47239%0.386SS..Hα-helixtrans-52.8-50.1167.4-70.8161.7000109.2S261 I262 L267 T268 S269S261-I265 WeakPolarHBondContact O-CB 3.3Å; S261-I265 WeakPolarHBondContact O-CD1 3.35Å; S261-I265 VanDerWaalsContact O-CG1 3.24Å; S261-I265 WeakPolarHBondContact O-CG1 3.23Å; S261-I265 PolarHBondContact O-N 3.1Å; I262-I265 PolarHBondContact O-N 3.32Å; I265-L267 PolarHBondContact O-N 3.4Å; I265-T268 WeakPolarHBondContact CA-OG1 3.41Å; I265-T268 PolarHBondContact O-N 3.14Å; I265-T268 PolarHBondContact O-OG1 3.05Å; I265-S269 WeakPolarHBondContact O-CB 3.48Å; I265-S269 PolarHBondContact O-N 3.31Å; I265-S269 PolarHBondContact O-OG 3.31Å; I265-S269 VanDerWaalsContact O-OG 3.13Å
266F50.7Low54.1Low51 Ų5173.8 Ų73.822%0.22442%0.418CS..Hα-helixtrans-56-49177.5-171.1-98.3000112.7I262 T263 L264 S269 I270 F288 A292I262-F266 VanDerWaalsContact O-CB 3.24Å; I262-F266 WeakPolarHBondContact O-CB 3.21Å; I262-F266 PolarHBondContact O-N 2.91Å; T263-F266 WeakPolarHBondContact O-CB 3.5Å; L264-F266 VanDerWaalsContact C-N 3.28Å; L264-F266 PolarHBondContact O-N 2.96Å; F266-S269 PolarHBondContact O-N 2.9Å; F266-I270 HydrophobicContact CD1-CD1 3.73Å; F266-I270 HydrophobicContact CE1-CD1 3.4Å; F266-I270 VanDerWaalsContact CE1-CD1 3.4Å; F266-I270 HydrophobicContact CZ-CD1 3.93Å; F266-I270 WeakPolarHBondContact O-CG1 3.29Å; F266-I270 PolarHBondContact O-N 3.5Å; F266-F288 HydrophobicContact CB-CE2 4.41Å; F266-F288 HydrophobicContact CB-CZ 4.1Å; F266-F288 HydrophobicContact CD1-CZ 4.36Å; F266-F288 AromaticContact CD2-CE1 3.75Å; F266-F288 HydrophobicContact CD2-CE1 3.75Å; F266-F288 AromaticContact CD2-CE2 3.68Å; F266-F288 HydrophobicContact CD2-CE2 3.68Å; F266-F288 AromaticContact CD2-CZ 3.08Å; F266-F288 HydrophobicContact CD2-CZ 3.08Å; F266-F288 AromaticContact CE2-CE1 3.57Å; F266-F288 HydrophobicContact CE2-CE1 3.57Å; F266-F288 HydrophobicContact CE2-CE2 4.29Å; F266-F288 AromaticContact CE2-CZ 3.45Å; F266-F288 HydrophobicContact CE2-CZ 3.45Å; F266-F288 VanDerWaalsContact CE2-CZ 3.45Å; F266-F288 HydrophobicContact CG-CE1 4.43Å; F266-F288 HydrophobicContact CG-CE2 4.27Å; F266-F288 AromaticContact CG-CZ 3.59Å; F266-F288 HydrophobicContact CG-CZ 3.59Å; F266-F288 HydrophobicContact CZ-CE1 4.17Å; F266-F288 HydrophobicContact CZ-CZ 4.25Å; F266-F288 VanDerWaalsContact O-CZ 3.28Å; F266-F288 WeakPolarHBondContact O-CZ 3.49Å; F266-A292 HydrophobicContact CD2-CB 3.64Å; F266-A292 HydrophobicContact CE2-CB 3.46Å; F266-A292 VanDerWaalsContact CE2-CB 3.46Å
267L54.4Low53.8Low101 Ų10179.4 Ų79.453%0.52945%0.447SS..Hα-helixtrans-65.6-40.3177.3-73.3165.8000112.5T263 L264 I265 I270 F271T263-L267 WeakPolarHBondContact O-CB 3.5Å; T263-L267 VanDerWaalsContact O-CG 3.24Å; T263-L267 WeakPolarHBondContact O-CG 3.31Å; T263-L267 PolarHBondContact O-N 2.91Å; L264-L267 PolarHBondContact O-N 2.86Å; I265-L267 PolarHBondContact O-N 3.4Å; L267-I270 PolarHBondContact O-N 3.16Å; L267-F271 WeakPolarHBondContact O-CB 3.21Å; L267-F271 PolarHBondContact O-N 3.36Å
268T54.5Low53.4Low69 Ų6977.2 Ų77.242%0.42345%0.45SS..Hα-helixtrans-66.4-36.9175.454.50000112.4L264 I265 F271 I272L264-T268 HydrophobicContact CD2-CG2 4.11Å; L264-T268 WeakPolarHBondContact O-CG2 3.17Å; L264-T268 PolarHBondContact O-N 2.66Å; L264-T268 PolarHBondContact O-OG1 3.23Å; L264-T268 VanDerWaalsContact O-OG1 3.08Å; I265-T268 WeakPolarHBondContact CA-OG1 3.41Å; I265-T268 PolarHBondContact O-N 3.14Å; I265-T268 PolarHBondContact O-OG1 3.05Å; T268-F271 WeakPolarHBondContact O-CB 3.37Å; T268-F271 PolarHBondContact O-N 2.96Å; T268-I272 WeakPolarHBondContact O-CD1 3.47Å; T268-I272 VanDerWaalsContact O-CG1 3.27Å; T268-I272 WeakPolarHBondContact O-CG1 3.3Å; T268-I272 PolarHBondContact O-N 3.04Å
269S52.1Low53.3Low43 Ų4382.1 Ų82.130%0.30148%0.476SS..Hα-helixtrans-72.1-34.3176.4-660000112.7I265 F266 F271 I272 G273I265-S269 WeakPolarHBondContact O-CB 3.48Å; I265-S269 PolarHBondContact O-N 3.31Å; I265-S269 PolarHBondContact O-OG 3.31Å; I265-S269 VanDerWaalsContact O-OG 3.13Å; F266-S269 PolarHBondContact O-N 2.9Å; S269-F271 VanDerWaalsContact C-N 3.34Å; S269-I272 PolarHBondContact O-N 3.25Å; S269-G273 PolarHBondContact O-N 3.09Å
270I54.5Low53Low63 Ų6383.1 Ų83.132%0.32349%0.485SS..Hα-helixtrans-62.7-42.9168.1-72.3171.8000110.3F266 L267 I272 G273 A274 F288F266-I270 HydrophobicContact CD1-CD1 3.73Å; F266-I270 HydrophobicContact CE1-CD1 3.4Å; F266-I270 VanDerWaalsContact CE1-CD1 3.4Å; F266-I270 HydrophobicContact CZ-CD1 3.93Å; F266-I270 WeakPolarHBondContact O-CG1 3.29Å; F266-I270 PolarHBondContact O-N 3.5Å; L267-I270 PolarHBondContact O-N 3.16Å; I270-I272 VanDerWaalsContact C-N 3.35Å; I270-I272 PolarHBondContact O-N 2.96Å; I270-G273 CarbonylContact O-C 3.37Å; I270-G273 PolarHBondContact O-N 3.31Å; I270-A274 VanDerWaalsContact O-CB 3.32Å; I270-A274 WeakPolarHBondContact O-CB 3.25Å; I270-A274 PolarHBondContact O-N 2.89Å; I270-F288 HydrophobicContact CD1-CE1 4.31Å; I270-F288 HydrophobicContact CG1-CE1 3.66Å; I270-F288 HydrophobicContact CG1-CZ 3.94Å
271F55.5Low52.9Low151 Ų15183.7 Ų83.766%0.66249%0.489SS*.Hα-helixtrans-63.4-39.8177.4-166.1-93.7000112.2L267 T268 S269 A274L267-F271 WeakPolarHBondContact O-CB 3.21Å; L267-F271 PolarHBondContact O-N 3.36Å; T268-F271 WeakPolarHBondContact O-CB 3.37Å; T268-F271 PolarHBondContact O-N 2.96Å; S269-F271 VanDerWaalsContact C-N 3.34Å; F271-A274 PolarHBondContact O-N 3.44Å
272I57.7Low52.7Low114 Ų11486.2 Ų86.259%0.58550%0.495SS*.Hα-helixtrans-65.5-43.4173.3-69161.3000111.2T268 S269 I270 A274 L275T268-I272 WeakPolarHBondContact O-CD1 3.47Å; T268-I272 VanDerWaalsContact O-CG1 3.27Å; T268-I272 WeakPolarHBondContact O-CG1 3.3Å; T268-I272 PolarHBondContact O-N 3.04Å; S269-I272 PolarHBondContact O-N 3.25Å; I270-I272 VanDerWaalsContact C-N 3.35Å; I270-I272 PolarHBondContact O-N 2.96Å; I272-A274 VanDerWaalsContact C-N 3.26Å; I272-A274 PolarHBondContact O-N 3.35Å; I272-L275 WeakPolarHBondContact O-CB 3.35Å; I272-L275 PolarHBondContact O-N 3.45Å
273G50.3Low52.5Low43 Ų4386 Ų8644%0.44349%0.492SS..Hα-helixtrans-70.4-17.4177.200000114.7S269 I270S269-G273 PolarHBondContact O-N 3.09Å; I270-G273 CarbonylContact O-C 3.37Å; I270-G273 PolarHBondContact O-N 3.31Å
274A52.6Low52.5Low76 Ų7690 Ų9063%0.62851%0.506SS*.THydrogen-bonded Turntrans-86.6-8.2174.500000113.5I270 F271 I272I270-A274 VanDerWaalsContact O-CB 3.32Å; I270-A274 WeakPolarHBondContact O-CB 3.25Å; I270-A274 PolarHBondContact O-N 2.89Å; F271-A274 PolarHBondContact O-N 3.44Å; I272-A274 VanDerWaalsContact C-N 3.26Å; I272-A274 PolarHBondContact O-N 3.35Å
275L53.8Low52.4Low87 Ų8789 Ų8946%0.45550%0.495SS..SBendtrans-74.2125.5169.6-67.6169.5000109I272 I277I272-L275 WeakPolarHBondContact O-CB 3.35Å; I272-L275 PolarHBondContact O-N 3.45Å; L275-I277 VanDerWaalsContact C-N 3.32Å; L275-I277 PolarHBondContact O-N 2.91Å
276P50.6Low52.2Low131 Ų13188 Ų8885%0.85149%0.485SS*.  trans-76.581.3-173.631-35.7000111.6
277I47.8Very low52.3Low132 Ų13288.9 Ų88.968%0.67749%0.492SS*.  trans-117.3121173-52.8176.3000106.7L275L275-I277 VanDerWaalsContact C-N 3.32Å; L275-I277 PolarHBondContact O-N 2.91Å
278G48.5Very low52.3Low57 Ų5785.6 Ų85.659%0.58847%0.473SS*.THydrogen-bonded Turntrans-64149.8-158.300000116.6L280G278-L280 PolarHBondContact O-N 2.87Å
279D53Low52.3Low145 Ų14584.1 Ų84.178%0.77546%0.463SS*.THydrogen-bonded Turntrans49.2-34.3170.2-64.7-4.2000120.3S281D279-S281 PolarHBondContact O-N 3.36Å
280L47.2Very low52.5Low88 Ų8884.3 Ų84.346%0.46146%0.457SS..THydrogen-bonded Turntrans-67.6-23172.2-81.580.8000112.3G278 H282 Q283 F284G278-L280 PolarHBondContact O-N 2.87Å; L280-H282 VanDerWaalsContact C-N 3.25Å; L280-H282 PolarHBondContact O-N 3.13Å; L280-Q283 WeakPolarHBondContact O-CB 3.39Å; L280-Q283 PolarHBondContact O-N 3.3Å; L280-F284 HydrophobicContact CB-CD2 4.15Å; L280-F284 HydrophobicContact CB-CE2 4.26Å; L280-F284 HydrophobicContact CD2-CE2 4.14Å; L280-F284 WeakPolarHBondContact O-CD2 3.15Å; L280-F284 PolarHBondContact O-N 3.03Å
281S52.7Low52.6Low51 Ų5185.1 Ų85.136%0.35746%0.458SS..Hα-helixtrans-53.9-41-179.258.80000112.5D279 Q283 Y285D279-S281 PolarHBondContact O-N 3.36Å; S281-Q283 VanDerWaalsContact C-N 3.3Å; S281-Q283 PolarHBondContact O-N 3.08Å; S281-Y285 VanDerWaalsContact O-CB 3.22Å; S281-Y285 WeakPolarHBondContact O-CB 3.45Å; S281-Y285 PolarHBondContact O-N 3.48Å
282H53Low52.6Low108 Ų10879.4 Ų79.450%0.544%0.439SS..Hα-helixtrans-71.9-24.4-178.8-149.7-45.1000113.2L280 R286L280-H282 VanDerWaalsContact C-N 3.25Å; L280-H282 PolarHBondContact O-N 3.13Å; H282-R286 PolarHBondContact O-N 3.12Å
283Q49.9Very low52.5Low44 Ų4476.3 Ų76.321%0.20642%0.422CS..Hα-helixtrans-81.5-48.4177-54.8-174.70.500110.6L280 S281 Y285 R286 L287 L1435 S1438L280-Q283 WeakPolarHBondContact O-CB 3.39Å; L280-Q283 PolarHBondContact O-N 3.3Å; S281-Q283 VanDerWaalsContact C-N 3.3Å; S281-Q283 PolarHBondContact O-N 3.08Å; Q283-Y285 VanDerWaalsContact C-N 3.28Å; Q283-Y285 PolarHBondContact O-N 2.74Å; Q283-R286 PolarHBondContact O-N 3.06Å; Q283-L287 PolarHBondContact O-N 3.3Å; Q283-L1435 PolarHBondContact NE2-O 2.75Å; Q283-S1438 VanDerWaalsContact CD-C 3.47Å; Q283-S1438 VanDerWaalsContact CD-O 3.23Å; Q283-S1438 VanDerWaalsContact NE2-C 3.33Å; Q283-S1438 PolarHBondContact NE2-OG 3.37Å; Q283-S1438 PolarHBondContact OE1-O 3.28Å; Q283-S1438 PolarHBondContact OE1-OG 3Å
284F52.2Low52.8Low135 Ų13575.3 Ų75.359%0.59241%0.407SS*.Hα-helixtrans-55.9-43.4172-85.5-72.6000111.4L280 L287 F288L280-F284 HydrophobicContact CB-CD2 4.15Å; L280-F284 HydrophobicContact CB-CE2 4.26Å; L280-F284 HydrophobicContact CD2-CE2 4.14Å; L280-F284 WeakPolarHBondContact O-CD2 3.15Å; L280-F284 PolarHBondContact O-N 3.03Å; F284-L287 PolarHBondContact O-N 3.35Å; F284-F288 WeakPolarHBondContact O-CB 3.37Å; F284-F288 PolarHBondContact O-N 3.04Å
285Y53.3Low53Low88 Ų8873.5 Ų73.535%0.34539%0.385SS..Hα-helixtrans-64-41179-170.4-123.9000113.1Y59 S281 Q283 F288 I289Y59-Y285 HydrophobicContact CE2-CD1 4.32Å; Y59-Y285 AromaticContact CE2-CE1 3.58Å; Y59-Y285 HydrophobicContact CE2-CE1 3.58Å; Y59-Y285 AromaticContact CZ-CE1 3.86Å; Y59-Y285 WeakPolarHBondContact OH-CD1 3.41Å; Y59-Y285 WeakPolarHBondContact OH-CE1 3.35Å; S281-Y285 VanDerWaalsContact O-CB 3.22Å; S281-Y285 WeakPolarHBondContact O-CB 3.45Å; S281-Y285 PolarHBondContact O-N 3.48Å; Q283-Y285 VanDerWaalsContact C-N 3.28Å; Q283-Y285 PolarHBondContact O-N 2.74Å; Y285-F288 HydrophobicContact CD2-CD1 4.36Å; Y285-F288 PolarHBondContact O-N 3.49Å; Y285-I289 HydrophobicContact CD1-CD1 4Å; Y285-I289 HydrophobicContact CD2-CD1 4.26Å; Y285-I289 HydrophobicContact CE1-CD1 3.76Å; Y285-I289 HydrophobicContact CE2-CD1 4.02Å; Y285-I289 HydrophobicContact CE2-CG1 4.45Å; Y285-I289 HydrophobicContact CG-CD1 4.24Å; Y285-I289 WeakPolarHBondContact O-CG1 3.41Å; Y285-I289 PolarHBondContact O-N 3.24Å
286R51.1Low53.3Low70 Ų7070.1 Ų70.126%0.26437%0.371SS..Hα-helixtrans-61.5-51.6172.8-84.6-179.2168.1-175.4-4.6111.9H282 Q283 F288 I289 W290 S1439 D1440H282-R286 PolarHBondContact O-N 3.12Å; Q283-R286 PolarHBondContact O-N 3.06Å; R286-F288 VanDerWaalsContact C-N 3.28Å; R286-F288 PolarHBondContact O-N 3.45Å; R286-I289 PolarHBondContact O-N 3.48Å; R286-W290 PolarHBondContact O-N 3.01Å; R286-S1439 PolarHBondContact NH1-O 3.23Å; R286-D1440 IonicContact CZ-OD1 3.82Å; R286-D1440 IonicContact NH1-OD1 2.77Å; R286-D1440 PolarHBondContact NH1-OD1 2.74Å; R286-D1440 IonicContact NH2-OD1 3.98Å
287L53.9Low53.6Low70 Ų7064.7 Ų64.737%0.36634%0.336SS..Hα-helixtrans-59.5-41179-17768.5000111.5Q283 F284 W290 F291 L1443Q283-L287 PolarHBondContact O-N 3.3Å; F284-L287 PolarHBondContact O-N 3.35Å; L287-W290 WeakPolarHBondContact O-CB 3.29Å; L287-W290 PolarHBondContact O-N 2.71Å; L287-F291 WeakPolarHBondContact O-CB 3.48Å; L287-F291 PolarHBondContact O-N 2.73Å; L287-L1443 HydrophobicContact CD1-CD1 3.76Å; L287-L1443 HydrophobicContact CD1-CD2 4.35Å
288F53.8Low54.1Low32 Ų3258.8 Ų58.814%0.1431%0.306CS..Hα-helixtrans-66.9-43.6-179.3169.5-109.4000113.8F266 I270 F284 Y285 R286 W290 F291 A292F266-F288 HydrophobicContact CB-CE2 4.41Å; F266-F288 HydrophobicContact CB-CZ 4.1Å; F266-F288 HydrophobicContact CD1-CZ 4.36Å; F266-F288 AromaticContact CD2-CE1 3.75Å; F266-F288 HydrophobicContact CD2-CE1 3.75Å; F266-F288 AromaticContact CD2-CE2 3.68Å; F266-F288 HydrophobicContact CD2-CE2 3.68Å; F266-F288 AromaticContact CD2-CZ 3.08Å; F266-F288 HydrophobicContact CD2-CZ 3.08Å; F266-F288 AromaticContact CE2-CE1 3.57Å; F266-F288 HydrophobicContact CE2-CE1 3.57Å; F266-F288 HydrophobicContact CE2-CE2 4.29Å; F266-F288 AromaticContact CE2-CZ 3.45Å; F266-F288 HydrophobicContact CE2-CZ 3.45Å; F266-F288 VanDerWaalsContact CE2-CZ 3.45Å; F266-F288 HydrophobicContact CG-CE1 4.43Å; F266-F288 HydrophobicContact CG-CE2 4.27Å; F266-F288 AromaticContact CG-CZ 3.59Å; F266-F288 HydrophobicContact CG-CZ 3.59Å; F266-F288 HydrophobicContact CZ-CE1 4.17Å; F266-F288 HydrophobicContact CZ-CZ 4.25Å; F266-F288 VanDerWaalsContact O-CZ 3.28Å; F266-F288 WeakPolarHBondContact O-CZ 3.49Å; I270-F288 HydrophobicContact CD1-CE1 4.31Å; I270-F288 HydrophobicContact CG1-CE1 3.66Å; I270-F288 HydrophobicContact CG1-CZ 3.94Å; F284-F288 WeakPolarHBondContact O-CB 3.37Å; F284-F288 PolarHBondContact O-N 3.04Å; Y285-F288 HydrophobicContact CD2-CD1 4.36Å; Y285-F288 PolarHBondContact O-N 3.49Å; R286-F288 VanDerWaalsContact C-N 3.28Å; R286-F288 PolarHBondContact O-N 3.45Å; F288-W290 VanDerWaalsContact C-N 3.29Å; F288-W290 PolarHBondContact O-N 3.3Å; F288-F291 WeakPolarHBondContact O-CB 3.46Å; F288-F291 PolarHBondContact O-N 2.99Å; F288-A292 PolarHBondContact O-N 2.93Å
289I55.9Low54.6Low39 Ų3956.8 Ų56.820%0.228%0.282CS..Hα-helixtrans-60.9-41.9175.3-73.7164.4000110.6Y59 Y285 R286 A292 H293Y59-I289 HydrophobicContact CD2-CD1 4.45Å; Y59-I289 HydrophobicContact CE2-CD1 3.4Å; Y59-I289 WeakPolarHBondContact OH-CD1 3.27Å; Y285-I289 HydrophobicContact CD1-CD1 4Å; Y285-I289 HydrophobicContact CD2-CD1 4.26Å; Y285-I289 HydrophobicContact CE1-CD1 3.76Å; Y285-I289 HydrophobicContact CE2-CD1 4.02Å; Y285-I289 HydrophobicContact CE2-CG1 4.45Å; Y285-I289 HydrophobicContact CG-CD1 4.24Å; Y285-I289 WeakPolarHBondContact O-CG1 3.41Å; Y285-I289 PolarHBondContact O-N 3.24Å; R286-I289 PolarHBondContact O-N 3.48Å; I289-A292 PolarHBondContact O-N 3.21Å; I289-H293 WeakPolarHBondContact O-CB 3.17Å; I289-H293 PolarHBondContact O-N 3.13Å
290W55.7Low54.8Low46 Ų4650.4 Ų50.417%0.17425%0.249CC..Hα-helixtrans-62.9-41.9176.2-167.5109.9000112.6R286 L287 F288 H293 T294 L1378 L1443 P1445R286-W290 PolarHBondContact O-N 3.01Å; L287-W290 WeakPolarHBondContact O-CB 3.29Å; L287-W290 PolarHBondContact O-N 2.71Å; F288-W290 VanDerWaalsContact C-N 3.29Å; F288-W290 PolarHBondContact O-N 3.3Å; W290-H293 PolarHBondContact O-N 3.23Å; W290-T294 HydrophobicContact CD2-CG2 3.93Å; W290-T294 HydrophobicContact CE3-CG2 3.63Å; W290-T294 HydrophobicContact CH2-CG2 3.86Å; W290-T294 HydrophobicContact CZ2-CG2 4.19Å; W290-T294 HydrophobicContact CZ3-CG2 3.54Å; W290-T294 WeakPolarHBondContact CZ3-OG1 3.28Å; W290-T294 PolarHBondContact O-N 3.45Å; W290-T294 PolarHBondContact O-OG1 3.09Å; W290-L1378 HydrophobicContact CE3-CD1 4.02Å; W290-L1378 HydrophobicContact CE3-CD2 3.89Å; W290-L1378 HydrophobicContact CH2-CD1 3.53Å; W290-L1378 HydrophobicContact CH2-CD2 4.45Å; W290-L1378 HydrophobicContact CH2-CG 4.43Å; W290-L1378 HydrophobicContact CZ2-CD1 4.05Å; W290-L1378 HydrophobicContact CZ3-CB 4.49Å; W290-L1378 HydrophobicContact CZ3-CD1 3.53Å; W290-L1378 HydrophobicContact CZ3-CD2 3.63Å; W290-L1378 HydrophobicContact CZ3-CG 4.07Å; W290-L1443 PolarHBondContact NE1-O 3.35Å; W290-P1445 HydrophobicContact CH2-CB 4.3Å; W290-P1445 VanDerWaalsContact CZ2-CA 3.45Å; W290-P1445 HydrophobicContact CZ2-CB 3.94Å
291F56.5Low55.5Low80 Ų8046.3 Ų46.335%0.35123%0.228SC..Hα-helixtrans-60.1-46175.6-151.7-76.8000110.7L287 F288 T294 F295 L1375 L1378L287-F291 WeakPolarHBondContact O-CB 3.48Å; L287-F291 PolarHBondContact O-N 2.73Å; F288-F291 WeakPolarHBondContact O-CB 3.46Å; F288-F291 PolarHBondContact O-N 2.99Å; F291-T294 PolarHBondContact O-OG1 3.42Å; F291-F295 HydrophobicContact CD1-CD2 4.43Å; F291-F295 HydrophobicContact CE1-CD2 4.41Å; F291-F295 WeakPolarHBondContact O-CB 3.16Å; F291-F295 PolarHBondContact O-N 2.69Å; F291-F295 VanDerWaalsContact O-N 3.09Å; F291-L1375 HydrophobicContact CE1-CD1 4.2Å; F291-L1375 HydrophobicContact CE2-CD1 3.53Å; F291-L1375 HydrophobicContact CZ-CD1 3.28Å; F291-L1378 HydrophobicContact CD2-CD2 3.72Å; F291-L1378 HydrophobicContact CE2-CD2 4.14Å
292A55.7Low55.9Low31 Ų3144.4 Ų44.426%0.25621%0.214SC..Hα-helixtrans-65.3-37.6176.200000112.7F266 F288 I289 G296F266-A292 HydrophobicContact CD2-CB 3.64Å; F266-A292 HydrophobicContact CE2-CB 3.46Å; F266-A292 VanDerWaalsContact CE2-CB 3.46Å; F288-A292 PolarHBondContact O-N 2.93Å; I289-A292 PolarHBondContact O-N 3.21Å; A292-G296 VanDerWaalsContact O-CA 3.23Å; A292-G296 WeakPolarHBondContact O-CA 3.32Å; A292-G296 PolarHBondContact O-N 2.75Å
293H55.5Low56.5Low49 Ų4939.4 Ų39.423%0.22719%0.191CC..Hα-helixtrans-65.5-53.2177.6-156.9-73.1000111.7D73 I289 W290 G296 V297D73-H293 IonicContact OD1-CD2 2.72Å; D73-H293 PolarHBondContact OD1-CD2 3.42Å; D73-H293 IonicContact OD1-NE2 3.06Å; D73-H293 PolarHBondContact OD1-NE2 3.03Å; I289-H293 WeakPolarHBondContact O-CB 3.17Å; I289-H293 PolarHBondContact O-N 3.13Å; W290-H293 PolarHBondContact O-N 3.23Å; H293-G296 PolarHBondContact O-N 3.16Å; H293-V297 WeakPolarHBondContact O-CB 3.21Å; H293-V297 WeakPolarHBondContact O-CG2 3.47Å; H293-V297 PolarHBondContact O-N 2.8Å
294T56.5Low57.2Low23 Ų2339.2 Ų39.214%0.14119%0.19CC..Hα-helixtrans-69.1-45.8-175.451.30000112.7W290 F291 V298W290-T294 HydrophobicContact CD2-CG2 3.93Å; W290-T294 HydrophobicContact CE3-CG2 3.63Å; W290-T294 HydrophobicContact CH2-CG2 3.86Å; W290-T294 HydrophobicContact CZ2-CG2 4.19Å; W290-T294 HydrophobicContact CZ3-CG2 3.54Å; W290-T294 WeakPolarHBondContact CZ3-OG1 3.28Å; W290-T294 PolarHBondContact O-N 3.45Å; W290-T294 PolarHBondContact O-OG1 3.09Å; F291-T294 PolarHBondContact O-OG1 3.42Å; T294-V298 WeakPolarHBondContact O-CG2 3.4Å; T294-V298 PolarHBondContact O-N 2.94Å; T294-V298 VanDerWaalsContact O-N 3.15Å
295F57Low57.9Low38 Ų3833 Ų3317%0.16716%0.163CC..Hα-helixtrans-66.4-40.1171.7-95.2-105.6000112.1I262 F291 V298 I299 G1371 L1375I262-F295 HydrophobicContact CD1-CD1 4.26Å; F291-F295 HydrophobicContact CD1-CD2 4.43Å; F291-F295 HydrophobicContact CE1-CD2 4.41Å; F291-F295 WeakPolarHBondContact O-CB 3.16Å; F291-F295 PolarHBondContact O-N 2.69Å; F291-F295 VanDerWaalsContact O-N 3.09Å; F295-V298 PolarHBondContact O-N 3.49Å; F295-I299 HydrophobicContact CD1-CD1 3.79Å; F295-I299 VanDerWaalsContact O-CB 3.31Å; F295-I299 WeakPolarHBondContact O-CB 3.33Å; F295-I299 WeakPolarHBondContact O-CG1 3.36Å; F295-I299 PolarHBondContact O-N 2.75Å; F295-G1371 WeakPolarHBondContact CZ-O 3.44Å; F295-L1375 HydrophobicContact CE2-CB 3.8Å; F295-L1375 HydrophobicContact CE2-CD1 4.2Å; F295-L1375 HydrophobicContact CE2-CD2 4.49Å; F295-L1375 HydrophobicContact CE2-CG 4.38Å; F295-L1375 HydrophobicContact CZ-CB 3.86Å; F295-L1375 HydrophobicContact CZ-CD2 4.03Å; F295-L1375 HydrophobicContact CZ-CG 4.37Å
296G60Low58.7Low15 Ų1530.7 Ų30.716%0.15516%0.157CC..Hα-helixtrans-58.3-50.717800000112F76 A292 H293 I299 A300F76-G296 WeakPolarHBondContact CE2-O 3.4Å; A292-G296 VanDerWaalsContact O-CA 3.23Å; A292-G296 WeakPolarHBondContact O-CA 3.32Å; A292-G296 PolarHBondContact O-N 2.75Å; H293-G296 PolarHBondContact O-N 3.16Å; G296-I299 PolarHBondContact O-N 3.36Å; G296-A300 WeakPolarHBondContact O-CB 3.46Å; G296-A300 PolarHBondContact O-N 2.9Å
297V57.2Low59.4Low18 Ų1829.1 Ų29.111%0.10915%0.151CC..Hα-helixtrans-61.7-47.8177.3170.50000111.1L75 F76 H293 I299 S301 L1452L75-V297 HydrophobicContact CD2-CG1 4.25Å; F76-V297 HydrophobicContact CB-CG2 4.4Å; F76-V297 HydrophobicContact CD2-CG2 4.49Å; H293-V297 WeakPolarHBondContact O-CB 3.21Å; H293-V297 WeakPolarHBondContact O-CG2 3.47Å; H293-V297 PolarHBondContact O-N 2.8Å; V297-I299 VanDerWaalsContact C-N 3.34Å; V297-I299 PolarHBondContact O-N 3.1Å; V297-S301 WeakPolarHBondContact O-CB 3.3Å; V297-S301 PolarHBondContact O-N 2.88Å; V297-S301 PolarHBondContact O-OG 3.22Å; V297-L1452 HydrophobicContact CG1-CD2 4.12Å
298V57.7Low60.3Low8 Ų829.8 Ų29.85%0.04815%0.151CC..Hα-helixtrans-63.7-36.3180172.80000112.3T294 F295 S301 S302 L1452T294-V298 WeakPolarHBondContact O-CG2 3.4Å; T294-V298 PolarHBondContact O-N 2.94Å; T294-V298 VanDerWaalsContact O-N 3.15Å; F295-V298 PolarHBondContact O-N 3.49Å; V298-S301 WeakPolarHBondContact CA-OG 3.2Å; V298-S301 PolarHBondContact O-OG 3.01Å; V298-S301 VanDerWaalsContact O-OG 3.12Å; V298-S302 WeakPolarHBondContact O-CB 3.31Å; V298-S302 PolarHBondContact O-N 3.38Å; V298-S302 VanDerWaalsContact O-N 3.07Å; V298-S302 PolarHBondContact O-OG 3.37Å; V298-L1452 HydrophobicContact CG2-CD1 4.3Å; V298-L1452 HydrophobicContact CG2-CD2 4.1Å
299I58.4Low61.2Low15 Ų1528.3 Ų28.38%0.07715%0.145CC..Hα-helixtrans-85.5-29.2-177.5-68.5172.4000112.3I258 K259 I262 F295 G296 V297 S302 S303I258-I299 HydrophobicContact CG2-CD1 4.02Å; I258-I299 HydrophobicContact CG2-CG2 4.36Å; K259-I299 HydrophobicContact CG-CG2 4.05Å; I262-I299 HydrophobicContact CD1-CD1 3.23Å; F295-I299 HydrophobicContact CD1-CD1 3.79Å; F295-I299 VanDerWaalsContact O-CB 3.31Å; F295-I299 WeakPolarHBondContact O-CB 3.33Å; F295-I299 WeakPolarHBondContact O-CG1 3.36Å; F295-I299 PolarHBondContact O-N 2.75Å; G296-I299 PolarHBondContact O-N 3.36Å; V297-I299 VanDerWaalsContact C-N 3.34Å; V297-I299 PolarHBondContact O-N 3.1Å; I299-S302 WeakPolarHBondContact CA-OG 3.32Å; I299-S302 PolarHBondContact O-OG 3.09Å; I299-S303 WeakPolarHBondContact O-CB 3.45Å; I299-S303 PolarHBondContact O-N 2.93Å; I299-S303 PolarHBondContact O-OG 3.22Å
300A57.1Low62.1Low10 Ų1027.9 Ų27.98%0.08314%0.14CC..Hα-helixtrans-70.4-48.1169.600000111.6F76 L79 G296 S303 F304F76-A300 HydrophobicContact CD2-CB 4.1Å; F76-A300 HydrophobicContact CE2-CB 3.95Å; L79-A300 HydrophobicContact CB-CB 4.05Å; L79-A300 HydrophobicContact CD1-CB 4.39Å; G296-A300 WeakPolarHBondContact O-CB 3.46Å; G296-A300 PolarHBondContact O-N 2.9Å; A300-S303 WeakPolarHBondContact O-CB 3.36Å; A300-S303 PolarHBondContact O-N 3.34Å; A300-F304 PolarHBondContact O-N 3.3Å; A300-F304 VanDerWaalsContact O-N 3.1Å
301S61.9Low62.8Low3 Ų327.2 Ų27.22%0.02114%0.14CC..Hα-helixtrans-65.3-43.9-179.757.40000112.7V297 V298 S303 F304 S305 L1456V297-S301 WeakPolarHBondContact O-CB 3.3Å; V297-S301 PolarHBondContact O-N 2.88Å; V297-S301 PolarHBondContact O-OG 3.22Å; V298-S301 WeakPolarHBondContact CA-OG 3.2Å; V298-S301 PolarHBondContact O-OG 3.01Å; V298-S301 VanDerWaalsContact O-OG 3.12Å; S301-S303 VanDerWaalsContact C-N 3.28Å; S301-S303 PolarHBondContact O-N 2.91Å; S301-F304 PolarHBondContact O-N 2.9Å; S301-F304 VanDerWaalsContact O-N 3.15Å; S301-S305 WeakPolarHBondContact O-CB 3.48Å; S301-S305 PolarHBondContact O-N 3.4Å; S301-L1456 WeakPolarHBondContact OG-CD1 3.24Å
302S62.5Low63.7Low10 Ų1024.2 Ų24.27%0.0713%0.128CC..Hα-helixtrans-62-35.9174.454.70000112.9V298 I299 S305 L306V298-S302 WeakPolarHBondContact O-CB 3.31Å; V298-S302 PolarHBondContact O-N 3.38Å; V298-S302 VanDerWaalsContact O-N 3.07Å; V298-S302 PolarHBondContact O-OG 3.37Å; I299-S302 WeakPolarHBondContact CA-OG 3.32Å; I299-S302 PolarHBondContact O-OG 3.09Å; S302-S305 PolarHBondContact O-N 3.15Å; S302-L306 WeakPolarHBondContact O-CB 3.45Å; S302-L306 WeakPolarHBondContact O-CG 3.36Å; S302-L306 PolarHBondContact O-N 2.88Å
303S65.1Low64.8Low4 Ų422.7 Ų22.73%0.02812%0.116CC..Hα-helixtrans-64.2-40173.9-59.70000112S255 K259 I299 A300 S301 Y307S255-S303 PolarHBondContact OG-OG 3.32Å; K259-S303 WeakPolarHBondContact CE-OG 3.43Å; K259-S303 PolarHBondContact NZ-OG 3.12Å; I299-S303 WeakPolarHBondContact O-CB 3.45Å; I299-S303 PolarHBondContact O-N 2.93Å; I299-S303 PolarHBondContact O-OG 3.22Å; A300-S303 WeakPolarHBondContact O-CB 3.36Å; A300-S303 PolarHBondContact O-N 3.34Å; S301-S303 VanDerWaalsContact C-N 3.28Å; S301-S303 PolarHBondContact O-N 2.91Å; S303-Y307 VanDerWaalsContact O-CD2 3.26Å; S303-Y307 WeakPolarHBondContact O-CD2 3.28Å; S303-Y307 PolarHBondContact O-N 3.46Å
304F63.9Low65.6Low40 Ų4020.6 Ų20.618%0.17511%0.106CC..Hα-helixtrans-67.7-45.9175.3176.3-92.2000111.2L79 L83 L86 A300 S301 L306 Y307 F308 F1457L79-F304 HydrophobicContact CD2-CB 4.13Å; L79-F304 HydrophobicContact CD2-CG 4.29Å; L83-F304 HydrophobicContact CD1-CB 4Å; L86-F304 HydrophobicContact CD1-CE2 3.97Å; A300-F304 PolarHBondContact O-N 3.3Å; A300-F304 VanDerWaalsContact O-N 3.1Å; S301-F304 PolarHBondContact O-N 2.9Å; S301-F304 VanDerWaalsContact O-N 3.15Å; F304-L306 PolarHBondContact O-N 3.47Å; F304-Y307 PolarHBondContact O-N 3.32Å; F304-F308 PolarHBondContact O-N 3.39Å; F304-F1457 HydrophobicContact CD1-CE1 4.02Å; F304-F1457 HydrophobicContact CE1-CE1 4.04Å
305S68.6Low66.4Low5 Ų519.5 Ų19.54%0.03510%0.1CC..Hα-helixtrans-57.4-46.7177.2-165.60000111.1S301 S302 Y307 F308 I309 L1456S301-S305 WeakPolarHBondContact O-CB 3.48Å; S301-S305 PolarHBondContact O-N 3.4Å; S302-S305 PolarHBondContact O-N 3.15Å; S305-Y307 PolarHBondContact O-N 2.99Å; S305-F308 PolarHBondContact O-N 3.35Å; S305-I309 VanDerWaalsContact O-CB 3.31Å; S305-I309 WeakPolarHBondContact O-CB 3.27Å; S305-I309 WeakPolarHBondContact O-CD1 3.37Å; S305-I309 WeakPolarHBondContact O-CG1 3.28Å; S305-I309 PolarHBondContact O-N 3.41Å; S305-I309 WeakPolarHBondContact OG-CD1 3.48Å; S305-L1456 PolarHBondContact OG-O 3.25Å
306L68.4Low67.4Low38 Ų3820.1 Ų20.120%0.19911%0.106CC..Hα-helixtrans-55.5-47.8173.9-88.9162.3000113.3S302 F304 W310 L1360 S1363S302-L306 WeakPolarHBondContact O-CB 3.45Å; S302-L306 WeakPolarHBondContact O-CG 3.36Å; S302-L306 PolarHBondContact O-N 2.88Å; F304-L306 PolarHBondContact O-N 3.47Å; L306-W310 VanDerWaalsContact O-CB 3.31Å; L306-W310 WeakPolarHBondContact O-CB 3.41Å; L306-W310 PolarHBondContact O-N 2.84Å; L306-L1360 HydrophobicContact CD2-CD2 4.17Å; L306-S1363 VanDerWaalsContact CD2-OG 3.26Å; L306-S1363 WeakPolarHBondContact CD2-OG 3.34Å
307Y66.6Low68.1Low38 Ų3819.8 Ų19.815%0.14910%0.101CC..Hα-helixtrans-67-39.2178.2-85.3-64.3000112.5L83 T87 V248 V252 S303 F304 S305 M311L83-Y307 HydrophobicContact CD2-CE2 4.15Å; L83-Y307 HydrophobicContact CG-CD2 4.35Å; L83-Y307 HydrophobicContact CG-CE2 4.33Å; T87-Y307 HydrophobicContact CG2-CE2 4.29Å; T87-Y307 WeakPolarHBondContact CG2-OH 3.46Å; V248-Y307 HydrophobicContact CG1-CE1 4.37Å; V252-Y307 WeakPolarHBondContact CG2-OH 3.49Å; S303-Y307 VanDerWaalsContact O-CD2 3.26Å; S303-Y307 WeakPolarHBondContact O-CD2 3.28Å; S303-Y307 PolarHBondContact O-N 3.46Å; F304-Y307 PolarHBondContact O-N 3.32Å; S305-Y307 PolarHBondContact O-N 2.99Å; Y307-M311 WeakPolarHBondContact O-CB 3.26Å; Y307-M311 WeakPolarHBondContact O-CG 3.35Å; Y307-M311 PolarHBondContact O-N 2.88Å
308F71.7Confident68.8Low84 Ų8419 Ų1937%0.36810%0.096SC..Hα-helixtrans-65.6-47.6176.2-179.7-97.5000111.5F304 S305 W310 M311 V312 F376F304-F308 PolarHBondContact O-N 3.39Å; S305-F308 PolarHBondContact O-N 3.35Å; F308-W310 VanDerWaalsContact C-N 3.34Å; F308-W310 PolarHBondContact O-N 2.86Å; F308-M311 PolarHBondContact O-N 3.48Å; F308-V312 HydrophobicContact CD1-CG2 4.35Å; F308-V312 HydrophobicContact CE1-CG2 3.95Å; F308-V312 HydrophobicContact CE2-CG2 4.34Å; F308-V312 HydrophobicContact CZ-CG2 3.95Å; F308-V312 WeakPolarHBondContact O-CG2 3.3Å; F308-V312 PolarHBondContact O-N 2.94Å; F308-F376 HydrophobicContact CE2-CZ 4.13Å
309I74.3Confident69.6Low1 Ų120.2 Ų20.21%0.00510%0.101CC..Hα-helixtrans-60-43.7176.1-69.1160000110.2S305 V312 A313 S1363 P1461 T1464 L1465S305-I309 VanDerWaalsContact O-CB 3.31Å; S305-I309 WeakPolarHBondContact O-CB 3.27Å; S305-I309 WeakPolarHBondContact O-CD1 3.37Å; S305-I309 WeakPolarHBondContact O-CG1 3.28Å; S305-I309 PolarHBondContact O-N 3.41Å; S305-I309 WeakPolarHBondContact OG-CD1 3.48Å; I309-V312 PolarHBondContact O-N 2.9Å; I309-A313 WeakPolarHBondContact O-CB 3.31Å; I309-A313 PolarHBondContact O-N 3.4Å; I309-S1363 VanDerWaalsContact CD1-OG 3.26Å; I309-S1363 WeakPolarHBondContact CD1-OG 3.49Å; I309-P1461 HydrophobicContact CD1-CB 4.33Å; I309-P1461 HydrophobicContact CD1-CG 4.28Å; I309-P1461 HydrophobicContact CG1-CB 4.26Å; I309-T1464 HydrophobicContact CD1-CG2 4.27Å; I309-T1464 WeakPolarHBondContact CD1-OG1 3.4Å; I309-L1465 HydrophobicContact CG2-CD2 4.13Å
310W74.8Confident70.4Confident29 Ų2922.5 Ų22.511%0.1111%0.111CC..Hα-helixtrans-58.9-49.8174173.7-94.9000112.3A244 V248 L306 F308 V312 A313 T314 L389 L1356 L1360A244-W310 HydrophobicContact CB-CH2 4.17Å; A244-W310 HydrophobicContact CB-CZ2 3.89Å; V248-W310 HydrophobicContact CG2-CD2 4.11Å; V248-W310 HydrophobicContact CG2-CE3 4.46Å; V248-W310 HydrophobicContact CG2-CH2 4.13Å; V248-W310 HydrophobicContact CG2-CZ2 3.76Å; V248-W310 HydrophobicContact CG2-CZ3 4.46Å; L306-W310 VanDerWaalsContact O-CB 3.31Å; L306-W310 WeakPolarHBondContact O-CB 3.41Å; L306-W310 PolarHBondContact O-N 2.84Å; F308-W310 VanDerWaalsContact C-N 3.34Å; F308-W310 PolarHBondContact O-N 2.86Å; W310-V312 PolarHBondContact O-N 3.35Å; W310-A313 PolarHBondContact O-N 3.18Å; W310-A313 VanDerWaalsContact O-N 3.15Å; W310-T314 HydrophobicContact CD2-CG2 3.91Å; W310-T314 HydrophobicContact CE3-CG2 4.28Å; W310-T314 HydrophobicContact CG-CG2 4.46Å; W310-T314 HydrophobicContact CH2-CG2 4.07Å; W310-T314 HydrophobicContact CZ2-CG2 3.63Å; W310-T314 HydrophobicContact CZ3-CG2 4.37Å; W310-T314 PolarHBondContact O-N 3.12Å; W310-T314 PolarHBondContact O-OG1 2.85Å; W310-L389 HydrophobicContact CH2-CD1 4.46Å; W310-L1356 HydrophobicContact CE3-CD1 4.04Å; W310-L1356 HydrophobicContact CE3-CD2 4.4Å; W310-L1356 HydrophobicContact CE3-CG 4.35Å; W310-L1356 HydrophobicContact CH2-CD2 3.93Å; W310-L1356 HydrophobicContact CZ3-CD1 4.02Å; W310-L1356 HydrophobicContact CZ3-CD2 3.61Å; W310-L1356 HydrophobicContact CZ3-CG 3.82Å; W310-L1360 HydrophobicContact CE3-CD1 3.68Å; W310-L1360 HydrophobicContact CE3-CD2 3.95Å; W310-L1360 HydrophobicContact CE3-CG 3.98Å; W310-L1360 HydrophobicContact CZ3-CD1 3.61Å; W310-L1360 HydrophobicContact CZ3-CG 4.32Å
311M69.9Low71.2Confident33 Ų3322 Ų2216%0.16311%0.108CC..Hα-helixtrans-61-39.4179.6-76.4-62.1-47.500113.2T90 Y307 F308 A315 Q379T90-M311 HydrophobicContact CG2-SD 3.85Å; Y307-M311 WeakPolarHBondContact O-CB 3.26Å; Y307-M311 WeakPolarHBondContact O-CG 3.35Å; Y307-M311 PolarHBondContact O-N 2.88Å; F308-M311 PolarHBondContact O-N 3.48Å; M311-A315 WeakPolarHBondContact O-CB 3.05Å; M311-A315 PolarHBondContact O-N 3.15Å; M311-Q379 HydrophobicContact CE-CG 4.27Å
312V76.2Confident71.7Confident16 Ų1623.4 Ų23.410%0.09711%0.114CC..Hα-helixtrans-71.4-40.1174.1178.80000110.5F308 I309 W310 A315 V316 F372 F376 L1465F308-V312 HydrophobicContact CD1-CG2 4.35Å; F308-V312 HydrophobicContact CE1-CG2 3.95Å; F308-V312 HydrophobicContact CE2-CG2 4.34Å; F308-V312 HydrophobicContact CZ-CG2 3.95Å; F308-V312 WeakPolarHBondContact O-CG2 3.3Å; F308-V312 PolarHBondContact O-N 2.94Å; I309-V312 PolarHBondContact O-N 2.9Å; W310-V312 PolarHBondContact O-N 3.35Å; V312-A315 WeakPolarHBondContact O-CB 3.49Å; V312-A315 PolarHBondContact O-N 3.43Å; V312-V316 HydrophobicContact CG1-CG2 4.47Å; V312-V316 WeakPolarHBondContact O-CG2 3.39Å; V312-V316 PolarHBondContact O-N 2.74Å; V312-F372 HydrophobicContact CG1-CZ 4.4Å; V312-F376 HydrophobicContact CG2-CD2 4.49Å; V312-F376 HydrophobicContact CG2-CE2 3.61Å; V312-F376 HydrophobicContact CG2-CZ 4.14Å; V312-L1465 HydrophobicContact CB-CD1 4.36Å; V312-L1465 HydrophobicContact CB-CD2 3.85Å; V312-L1465 HydrophobicContact CG1-CD1 3.88Å; V312-L1465 HydrophobicContact CG1-CD2 3.68Å; V312-L1465 HydrophobicContact CG1-CG 4.42Å
313A77.3Confident72.1Confident0 Ų024.8 Ų24.80%012%0.12CC..Hα-helixtrans-69.2-42.5-176.200000113I309 W310 A315 V316 V317 L1356 L1465 I1468I309-A313 WeakPolarHBondContact O-CB 3.31Å; I309-A313 PolarHBondContact O-N 3.4Å; W310-A313 PolarHBondContact O-N 3.18Å; W310-A313 VanDerWaalsContact O-N 3.15Å; A313-A315 VanDerWaalsContact C-N 3.28Å; A313-A315 PolarHBondContact O-N 3.15Å; A313-V316 PolarHBondContact O-N 2.82Å; A313-V317 WeakPolarHBondContact O-CB 3.34Å; A313-V317 WeakPolarHBondContact O-CG2 3.4Å; A313-V317 PolarHBondContact O-N 3.38Å; A313-L1356 HydrophobicContact CB-CD1 3.51Å; A313-L1465 HydrophobicContact CB-CD2 4.44Å; A313-I1468 HydrophobicContact CB-CD1 3.54Å; A313-I1468 HydrophobicContact CB-CG1 4.4Å
314T72.6Confident72.2Confident4 Ų426.7 Ų26.73%0.02513%0.132CC..Hα-helixtrans-65.9-32.6173.364.70000111.4W310 T318 E385 L1356W310-T314 HydrophobicContact CD2-CG2 3.91Å; W310-T314 HydrophobicContact CE3-CG2 4.28Å; W310-T314 HydrophobicContact CG-CG2 4.46Å; W310-T314 HydrophobicContact CH2-CG2 4.07Å; W310-T314 HydrophobicContact CZ2-CG2 3.63Å; W310-T314 HydrophobicContact CZ3-CG2 4.37Å; W310-T314 PolarHBondContact O-N 3.12Å; W310-T314 PolarHBondContact O-OG1 2.85Å; T314-T318 WeakPolarHBondContact O-CB 3.47Å; T314-T318 WeakPolarHBondContact O-CG2 3.18Å; T314-T318 PolarHBondContact O-N 3.42Å; T314-T318 PolarHBondContact O-OG1 2.93Å; T314-E385 VanDerWaalsContact CB-OE1 3.22Å; T314-E385 WeakPolarHBondContact CB-OE1 3.35Å; T314-E385 PolarHBondContact OG1-OE1 2.88Å; T314-L1356 HydrophobicContact CG2-CD2 4.37Å
315A73.5Confident72.4Confident1 Ų125.3 Ų25.31%0.00813%0.126CC..Hα-helixtrans-65.2-44.6173.100000112.8M311 V312 A313 T318 F319 F372 T380M311-A315 WeakPolarHBondContact O-CB 3.05Å; M311-A315 PolarHBondContact O-N 3.15Å; V312-A315 WeakPolarHBondContact O-CB 3.49Å; V312-A315 PolarHBondContact O-N 3.43Å; A313-A315 VanDerWaalsContact C-N 3.28Å; A313-A315 PolarHBondContact O-N 3.15Å; A315-T318 PolarHBondContact O-OG1 3.21Å; A315-F319 WeakPolarHBondContact O-CB 3.21Å; A315-F319 PolarHBondContact O-N 2.89Å; A315-F372 HydrophobicContact CB-CE2 4.09Å; A315-T380 VanDerWaalsContact CA-CG2 3.44Å; A315-T380 HydrophobicContact CB-CG2 3.77Å
316V77.7Confident72.1Confident50 Ų5026 Ų2630%0.30313%0.131SC..Hα-helixtrans-64.3-45.8174.8173.90000111.1V312 A313 F319 H320 F372 I1468V312-V316 HydrophobicContact CG1-CG2 4.47Å; V312-V316 WeakPolarHBondContact O-CG2 3.39Å; V312-V316 PolarHBondContact O-N 2.74Å; A313-V316 PolarHBondContact O-N 2.82Å; V316-F319 PolarHBondContact O-N 3.3Å; V316-H320 WeakPolarHBondContact O-CB 3.33Å; V316-H320 PolarHBondContact O-N 2.88Å; V316-F372 HydrophobicContact CB-CE2 4.45Å; V316-F372 HydrophobicContact CG2-CE2 3.52Å; V316-F372 HydrophobicContact CG2-CZ 3.84Å; V316-I1468 HydrophobicContact CB-CD1 4.48Å; V316-I1468 HydrophobicContact CB-CG2 4.39Å; V316-I1468 HydrophobicContact CG1-CG2 3.78Å
317V76Confident71.7Confident8 Ų830.1 Ų30.15%0.04815%0.153CC..Hα-helixtrans-63.7-48-179.6164.10000111.8A313 H320 F321 V388 I1468A313-V317 WeakPolarHBondContact O-CB 3.34Å; A313-V317 WeakPolarHBondContact O-CG2 3.4Å; A313-V317 PolarHBondContact O-N 3.38Å; V317-H320 PolarHBondContact O-N 2.93Å; V317-F321 WeakPolarHBondContact O-CB 3.2Å; V317-F321 PolarHBondContact O-N 3.34Å; V317-V388 HydrophobicContact CG1-CG1 3.74Å; V317-I1468 HydrophobicContact CG2-CG2 3.88Å
318T71.6Confident70.9Confident2 Ų229.4 Ų29.41%0.01216%0.155CC..Hα-helixtrans-68.8-36.2178.950.70000112.5T314 A315 F321 Q322 M375 M384 E385T314-T318 WeakPolarHBondContact O-CB 3.47Å; T314-T318 WeakPolarHBondContact O-CG2 3.18Å; T314-T318 PolarHBondContact O-N 3.42Å; T314-T318 PolarHBondContact O-OG1 2.93Å; A315-T318 PolarHBondContact O-OG1 3.21Å; T318-F321 PolarHBondContact O-N 2.84Å; T318-Q322 WeakPolarHBondContact O-CB 3.38Å; T318-Q322 PolarHBondContact O-N 3.15Å; T318-M375 WeakPolarHBondContact OG1-CE 3.37Å; T318-M384 HydrophobicContact CG2-CB 4.15Å; T318-E385 HydrophobicContact CG2-CB 4.32Å; T318-E385 HydrophobicContact CG2-CG 3.73Å
319F74.3Confident69.9Low33 Ų3327 Ų2715%0.14515%0.145CC..Hα-helixtrans-62.5-45.3172.1-179.6-110000111.8A315 V316 Q322 N323 N368 M375A315-F319 WeakPolarHBondContact O-CB 3.21Å; A315-F319 PolarHBondContact O-N 2.89Å; V316-F319 PolarHBondContact O-N 3.3Å; F319-Q322 PolarHBondContact O-N 2.87Å; F319-N323 WeakPolarHBondContact CE1-ND2 3.32Å; F319-N323 WeakPolarHBondContact CZ-ND2 3.4Å; F319-N323 VanDerWaalsContact O-CG 3.3Å; F319-N323 PolarHBondContact O-N 3.45Å; F319-N323 VanDerWaalsContact O-N 3.08Å; F319-N323 PolarHBondContact O-ND2 3.23Å; F319-N368 HydrophobicContact CE1-CB 4.27Å; F319-N368 HydrophobicContact CZ-CB 3.88Å; F319-M375 HydrophobicContact CB-SD 3.87Å; F319-M375 HydrophobicContact CD2-SD 3.96Å; F319-M375 HydrophobicContact CG-SD 4.39Å
320H75.1Confident68.5Low63 Ų6329.2 Ų29.229%0.29216%0.158SC..Hα-helixtrans-62.9-48176.6-170.4-81.8000111.5V316 V317 Q322 N323 V324 E1348 R1474V316-H320 WeakPolarHBondContact O-CB 3.33Å; V316-H320 PolarHBondContact O-N 2.88Å; V317-H320 PolarHBondContact O-N 2.93Å; H320-Q322 VanDerWaalsContact C-N 3.34Å; H320-Q322 PolarHBondContact O-N 3.36Å; H320-N323 PolarHBondContact O-N 3.39Å; H320-V324 PolarHBondContact O-N 2.9Å; H320-E1348 IonicContact CE1-OE1 3.91Å; H320-E1348 PolarHBondContact CE1-OE1 3.09Å; H320-E1348 IonicContact CE1-OE2 2.7Å; H320-E1348 IonicContact CG-OE1 2.63Å; H320-E1348 IonicContact ND1-OE1 2.75Å; H320-E1348 PolarHBondContact ND1-OE1 3.32Å; H320-R1474 VanDerWaalsContact CE1-CZ 3.45Å; H320-R1474 PolarHBondContact CE1-NH2 3.34Å; H320-R1474 PolarHBondContact ND1-NH2 3.44Å; H320-R1474 VanDerWaalsContact ND1-NH2 3.11Å; H320-R1474 PolarHBondContact NE2-NH2 3.5Å
321F74.3Confident66.8Low1 Ų133.2 Ų33.20%0.00418%0.178CC..Hα-helixtrans-61.8-40.2177.7-175-99.1000112V317 T318 N323 V324 L325 I387 V388 L391 L1345 E1348 A1349V317-F321 WeakPolarHBondContact O-CB 3.2Å; V317-F321 PolarHBondContact O-N 3.34Å; T318-F321 PolarHBondContact O-N 2.84Å; F321-N323 VanDerWaalsContact C-N 3.31Å; F321-N323 PolarHBondContact O-N 2.69Å; F321-V324 PolarHBondContact O-N 2.98Å; F321-V324 VanDerWaalsContact O-N 3.17Å; F321-L325 HydrophobicContact CE1-CB 4.43Å; F321-L325 HydrophobicContact CE1-CD1 4.17Å; F321-L325 HydrophobicContact CZ-CD1 4.33Å; F321-L325 VanDerWaalsContact O-CB 3.25Å; F321-L325 WeakPolarHBondContact O-CB 3.35Å; F321-L325 PolarHBondContact O-N 3.18Å; F321-I387 HydrophobicContact CE1-CG2 4.23Å; F321-I387 HydrophobicContact CZ-CG2 4.45Å; F321-V388 HydrophobicContact CB-CG2 3.67Å; F321-V388 HydrophobicContact CD1-CG2 3.4Å; F321-V388 HydrophobicContact CD2-CG2 3.85Å; F321-V388 HydrophobicContact CE1-CG2 3.91Å; F321-V388 HydrophobicContact CE2-CG2 4.31Å; F321-V388 HydrophobicContact CG-CG2 3.35Å; F321-V388 HydrophobicContact CZ-CG2 4.33Å; F321-L391 HydrophobicContact CE2-CD2 4.17Å; F321-L391 HydrophobicContact CZ-CD2 4.03Å; F321-L1345 HydrophobicContact CD2-CD1 4.44Å; F321-L1345 HydrophobicContact CE1-CD1 4.45Å; F321-L1345 HydrophobicContact CE2-CD1 3.56Å; F321-L1345 HydrophobicContact CE2-CG 3.81Å; F321-L1345 HydrophobicContact CZ-CD1 3.58Å; F321-L1345 HydrophobicContact CZ-CD2 4.12Å; F321-L1345 HydrophobicContact CZ-CG 3.75Å; F321-E1348 HydrophobicContact CD2-CG 4.36Å; F321-A1349 HydrophobicContact CD2-CB 4.48Å; F321-A1349 HydrophobicContact CE2-CB 3.99Å
322Q71.5Confident65.1Low32 Ų3234.3 Ų34.315%0.1518%0.182CC..Hα-helixtrans-62.5-37.1176-175.3168.415.200112T318 F319 H320 S326T318-Q322 WeakPolarHBondContact O-CB 3.38Å; T318-Q322 PolarHBondContact O-N 3.15Å; F319-Q322 PolarHBondContact O-N 2.87Å; H320-Q322 VanDerWaalsContact C-N 3.34Å; H320-Q322 PolarHBondContact O-N 3.36Å; Q322-S326 WeakPolarHBondContact O-CB 3.11Å; Q322-S326 PolarHBondContact O-N 3.12Å; Q322-S326 PolarHBondContact O-OG 2.9Å
323N70Confident63Low38 Ų3839.1 Ų39.120%0.20320%0.201CC..Hα-helixtrans-71.8-27.4175.2-67.6-37.6000113.4F319 H320 F321 S326 N327F319-N323 WeakPolarHBondContact CE1-ND2 3.32Å; F319-N323 WeakPolarHBondContact CZ-ND2 3.4Å; F319-N323 VanDerWaalsContact O-CG 3.3Å; F319-N323 PolarHBondContact O-N 3.45Å; F319-N323 VanDerWaalsContact O-N 3.08Å; F319-N323 PolarHBondContact O-ND2 3.23Å; H320-N323 PolarHBondContact O-N 3.39Å; F321-N323 VanDerWaalsContact C-N 3.31Å; F321-N323 PolarHBondContact O-N 2.69Å; N323-S326 WeakPolarHBondContact CA-OG 3.27Å; N323-S326 PolarHBondContact O-OG 3.05Å; N323-N327 PolarHBondContact O-ND2 3.26Å; N323-N327 VanDerWaalsContact O-ND2 3.12Å; N323-N327 PolarHBondContact O-OD1 2.72Å
324V68.8Low60.8Low45 Ų4542.9 Ų42.927%0.27322%0.221SC..Hα-helixtrans-77.7-46.1171.8173.60000110.5H320 F321 S326 N327 A328 E1348H320-V324 PolarHBondContact O-N 2.9Å; F321-V324 PolarHBondContact O-N 2.98Å; F321-V324 VanDerWaalsContact O-N 3.17Å; V324-S326 VanDerWaalsContact C-N 3.26Å; V324-S326 PolarHBondContact O-N 2.71Å; V324-N327 WeakPolarHBondContact O-CB 3.13Å; V324-N327 PolarHBondContact O-N 2.95Å; V324-A328 PolarHBondContact O-N 3.37Å; V324-E1348 HydrophobicContact CB-CG 4.4Å; V324-E1348 HydrophobicContact CG1-CB 4.49Å; V324-E1348 HydrophobicContact CG1-CG 4.31Å; V324-E1348 HydrophobicContact CG2-CG 4.17Å
325L66.8Low58.8Low11 Ų1146.9 Ų46.96%0.05825%0.246CC..Hα-helixtrans-58.6-37.3175.4-168.182.5000111.1F321 N327 A328 H329 M384 L1345F321-L325 HydrophobicContact CE1-CB 4.43Å; F321-L325 HydrophobicContact CE1-CD1 4.17Å; F321-L325 HydrophobicContact CZ-CD1 4.33Å; F321-L325 VanDerWaalsContact O-CB 3.25Å; F321-L325 WeakPolarHBondContact O-CB 3.35Å; F321-L325 PolarHBondContact O-N 3.18Å; L325-N327 VanDerWaalsContact C-N 3.32Å; L325-N327 PolarHBondContact O-N 3.17Å; L325-A328 CarbonylContact O-C 3.57Å; L325-A328 PolarHBondContact O-N 3.25Å; L325-A328 VanDerWaalsContact O-N 3.17Å; L325-H329 WeakPolarHBondContact O-CB 3.48Å; L325-H329 PolarHBondContact O-CD2 2.94Å; L325-H329 PolarHBondContact O-N 3.08Å; L325-M384 HydrophobicContact CD2-CE 3.76Å; L325-M384 HydrophobicContact CD2-SD 4.42Å; L325-L1345 HydrophobicContact CB-CD1 4.36Å; L325-L1345 HydrophobicContact CD1-CD1 3.6Å; L325-L1345 HydrophobicContact CD1-CD2 3.74Å; L325-L1345 HydrophobicContact CD1-CG 4.31Å
326S63.8Low56.6Low19 Ų1952.2 Ų52.213%0.13327%0.274CS..Hα-helixtrans-69.6-24.7174.661.30000115Q322 N323 V324 A328 Q348Q322-S326 WeakPolarHBondContact O-CB 3.11Å; Q322-S326 PolarHBondContact O-N 3.12Å; Q322-S326 PolarHBondContact O-OG 2.9Å; N323-S326 WeakPolarHBondContact CA-OG 3.27Å; N323-S326 PolarHBondContact O-OG 3.05Å; V324-S326 VanDerWaalsContact C-N 3.26Å; V324-S326 PolarHBondContact O-N 2.71Å; S326-A328 VanDerWaalsContact C-N 3.3Å; S326-Q348 VanDerWaalsContact CB-CD 3.4Å; S326-Q348 PolarHBondContact OG-NE2 3.02Å
327N59.4Low54.2Low124 Ų12456.4 Ų56.466%0.66330%0.295SS*.Hα-helixtrans-78.4-21.8172.7-64-20.6000111.2N323 V324 L325N323-N327 PolarHBondContact O-ND2 3.26Å; N323-N327 VanDerWaalsContact O-ND2 3.12Å; N323-N327 PolarHBondContact O-OD1 2.72Å; V324-N327 WeakPolarHBondContact O-CB 3.13Å; V324-N327 PolarHBondContact O-N 2.95Å; L325-N327 VanDerWaalsContact C-N 3.32Å; L325-N327 PolarHBondContact O-N 3.17Å
328A50Low51.8Low24 Ų2462.9 Ų62.920%0.19833%0.329CS..Hα-helixtrans-93.5-15.6173.500000113.9V324 L325 S326 T1338V324-A328 PolarHBondContact O-N 3.37Å; L325-A328 CarbonylContact O-C 3.57Å; L325-A328 PolarHBondContact O-N 3.25Å; L325-A328 VanDerWaalsContact O-N 3.17Å; S326-A328 VanDerWaalsContact C-N 3.3Å; A328-T1338 VanDerWaalsContact O-CB 3.26Å; A328-T1338 WeakPolarHBondContact O-CB 3.48Å; A328-T1338 WeakPolarHBondContact O-CG2 3.22Å; A328-T1338 PolarHBondContact O-OG1 3.48Å
329H50.7Low49.6Very low32 Ų3269.7 Ų69.715%0.14837%0.366CS..SBendtrans-91.9137.9170.4-93.7-71.2000110.8L325 H331 H1326 L1332L325-H329 WeakPolarHBondContact O-CB 3.48Å; L325-H329 PolarHBondContact O-CD2 2.94Å; L325-H329 PolarHBondContact O-N 3.08Å; H329-H331 PolarHBondContact O-N 3.23Å; H329-H1326 AromaticContact CE1-NE2 3.85Å; H329-L1332 PolarHBondContact CE1-N 3.04Å; H329-L1332 VanDerWaalsContact CE1-N 3.3Å; H329-L1332 PolarHBondContact CE1-O 2.68Å; H329-L1332 PolarHBondContact ND1-O 2.91Å
330V44.4Very low47.3Very low48 Ų4876.1 Ų76.129%0.29139%0.394SS..  trans-80.4101156.8179.60000108.9F332 K1337 T1338V330-F332 PolarHBondContact O-N 3.31Å; V330-K1337 HydrophobicContact CB-CD 4.11Å; V330-K1337 HydrophobicContact CG1-CD 3.94Å; V330-K1337 HydrophobicContact CG2-CB 3.46Å; V330-K1337 VanDerWaalsContact CG2-CB 3.46Å; V330-K1337 HydrophobicContact CG2-CD 3.62Å; V330-K1337 HydrophobicContact CG2-CG 4.19Å; V330-T1338 HydrophobicContact CG2-CG2 3.76Å
331H38.3Very low44.9Very low113 Ų11383.4 Ų83.452%0.52343%0.425SS..  trans-61.3107.6169.1-130.6-71.8000108.6H329 K333 Q348H329-H331 PolarHBondContact O-N 3.23Å; H331-K333 PolarHBondContact O-N 3.45Å; H331-Q348 PolarHBondContact CD2-OE1 3.04Å
332F34.4Very low42.5Very low56 Ų5687.7 Ų87.725%0.24646%0.455CS..  trans-6498170.8-84.8-92.9000108.8V330 L334 D1319V330-F332 PolarHBondContact O-N 3.31Å; F332-L334 VanDerWaalsContact C-N 3.32Å; F332-L334 PolarHBondContact O-N 2.87Å; F332-D1319 HydrophobicContact CE1-CB 3.86Å; F332-D1319 HydrophobicContact CZ-CB 3.98Å
333K33.1Very low40.3Very low117 Ų11790.2 Ų90.251%0.50947%0.472SS..  trans-67.892.9164.4-92.3-153.6170.8-158.10108.9H331 T335 D336 N350H331-K333 PolarHBondContact O-N 3.45Å; K333-T335 PolarHBondContact O-N 2.69Å; K333-D336 IonicContact NZ-OD1 3.77Å; K333-D336 IonicContact NZ-OD2 2.69Å; K333-D336 PolarHBondContact NZ-OD2 3.24Å; K333-N350 VanDerWaalsContact CE-OD1 3.31Å; K333-N350 WeakPolarHBondContact CE-OD1 3.33Å; K333-N350 PolarHBondContact NZ-OD1 3.09Å
334L31.1Very low38.1Very low80 Ų8091 Ų9142%0.41948%0.475SS..  trans-57.8123.8146.4-95.8140.8000106.7F112 F332 F1315F112-L334 HydrophobicContact CD2-CD1 4.32Å; F332-L334 VanDerWaalsContact C-N 3.32Å; F332-L334 PolarHBondContact O-N 2.87Å; L334-F1315 HydrophobicContact CD2-CZ 4.49Å
335T30.1Very low36.2Very low88 Ų8893.9 Ų93.954%0.5449%0.493SS..  trans-53.9134.6-162.648.40000113.8K333 N337K333-T335 PolarHBondContact O-N 2.69Å; T335-N337 PolarHBondContact O-N 3.16Å; T335-N337 VanDerWaalsContact O-N 3.1Å
336D27.4Very low34.4Very low112 Ų11298 Ų9860%0.59951%0.51SS*.  trans-57.8111.6164-60-85.3000109.7K333K333-D336 IonicContact NZ-OD1 3.77Å; K333-D336 IonicContact NZ-OD2 2.69Å; K333-D336 PolarHBondContact NZ-OD2 3.24Å
337N26.1Very low32.5Very low138 Ų138102.2 Ų102.274%0.73854%0.538SS*.  trans-163.2107.9158.9-101.8-35.5000111.4T335T335-N337 PolarHBondContact O-N 3.16Å; T335-N337 VanDerWaalsContact O-N 3.1Å
338N25.8Very low31.2Very low144 Ų14499 Ų9977%0.7752%0.519SS*.SBendtrans60.2120.8159.3-56.5-14.6000120.6
339D26.4Very low30.1Very low146 Ų14699.2 Ų99.278%0.78152%0.519SS*.  trans49.685.5148.6-64.7-34.2000120.3
340F26Very low28.8Very low168 Ų168103.7 Ų103.774%0.73754%0.544SS*.  trans-146.3107.7130.7-121.1-77.2000113.3S342F340-S342 VanDerWaalsContact C-N 3.35Å; F340-S342 PolarHBondContact O-N 3.32Å
341K25Very low28Very low215 Ų215106.5 Ų106.594%0.93556%0.556SS**  trans-70.187.3166.5-75.3176.2179.2167.20109.8
342S23.9Very low27.4Very low91 Ų91106.4 Ų106.464%0.63657%0.568SS**  trans-139.4140.2169.372.40000111.7F340F340-S342 VanDerWaalsContact C-N 3.35Å; F340-S342 PolarHBondContact O-N 3.32Å
343T23.9Very low27Very low85 Ų85113.1 Ų113.152%0.52160%0.597SS.*  trans-86.2156.2-167.550.10000113.6R107R107-T343 PolarHBondContact NH1-O 3.49Å
344H25.2Very low26.8Very low54 Ų54112.4 Ų112.425%0.2560%0.602CS.*  trans7665.8177.1-49.4-89000116.2T104 F378T104-H344 WeakPolarHBondContact CG2-O 3.42Å; H344-F378 AromaticContact CE1-CD1 3.48Å; H344-F378 VanDerWaalsContact CE1-CD1 3.48Å; H344-F378 WeakPolarHBondContact CE1-CD1 3.2Å; H344-F378 AromaticContact CE1-CE1 3.55Å; H344-F378 AromaticContact NE2-CE1 3.87Å
345V28.9Very low26.6Very low107 Ų107113.2 Ų113.265%0.64862%0.615SS**SBendtrans-129.6148.6139.7-179.40000106.1C347V345-C347 PolarHBondContact O-N 3.45Å
346F27.9Very low26.5Very low98 Ų98118.9 Ų118.943%0.4363%0.632SS.*  trans-62.3122.6-177.6-88.1-89.8000111.6D381F346-D381 HydrophobicContact CZ-CB 4.03Å
347C24.9Very low26.5Very low106 Ų106116.8 Ų116.872%0.71663%0.626SS**  trans-80.5127.3171.9-66.30000110.2V345V345-C347 PolarHBondContact O-N 3.45Å
348Q32Very low26.6Very low56 Ų56118.4 Ų118.426%0.26263%0.634SS.*  trans-112.9148.6160.7-78.9-132.9-6700110.6S326 H331S326-Q348 VanDerWaalsContact CB-CD 3.4Å; S326-Q348 PolarHBondContact OG-NE2 3.02Å; H331-Q348 PolarHBondContact CD2-OE1 3.04Å
349P25.6Very low26.9Very low30 Ų30116.7 Ų116.720%0.19563%0.629CS.*  trans-68.9146.4171.930.3-34.3000110.7I351P349-I351 HydrophobicContact CG-CD1 4.22Å; P349-I351 HydrophobicContact CG-CG1 4.41Å; P349-I351 PolarHBondContact O-N 2.85Å
350N23.6Very low27.6Very low126 Ų126116.2 Ų116.267%0.67463%0.626SS**  trans-63.6104.7172-81.9-49.6000110.4K333K333-N350 VanDerWaalsContact CE-OD1 3.31Å; K333-N350 WeakPolarHBondContact CE-OD1 3.33Å; K333-N350 PolarHBondContact NZ-OD1 3.09Å
351I28.8Very low28.4Very low106 Ų106112.1 Ų112.154%0.54462%0.615SS.*  trans-130.891.5170.6-56.8-177.6000109.5P349 V354P349-I351 HydrophobicContact CG-CD1 4.22Å; P349-I351 HydrophobicContact CG-CG1 4.41Å; P349-I351 PolarHBondContact O-N 2.85Å; I351-V354 HydrophobicContact CG2-CB 3.89Å; I351-V354 HydrophobicContact CG2-CG2 3.53Å
352S24.9Very low29.4Very low111 Ų111109.2 Ų109.278%0.77660%0.603SS**SBendtrans-100.6135.8153.652.20000108.3
353K26.4Very low30.6Very low197 Ų197112.3 Ų112.386%0.85761%0.607SS**  trans58.363.3178.5-54.6-178.8-179.8179.80116.6S355K353-S355 PolarHBondContact O-N 3.34Å
354V30Very low32Very low103 Ų103109.7 Ų109.762%0.62459%0.592SS**  trans-93.579.9154.2170.40000109.6I351I351-V354 HydrophobicContact CG2-CB 3.89Å; I351-V354 HydrophobicContact CG2-CG2 3.53Å
355S25.7Very low33.3Very low97 Ų97111.9 Ų111.968%0.67860%0.601SS**  trans-92.295.5168.454.70000110K353 S357K353-S355 PolarHBondContact O-N 3.34Å; S355-S357 VanDerWaalsContact C-N 3.31Å; S355-S357 PolarHBondContact O-N 2.67Å; S355-S357 VanDerWaalsContact O-N 3.09Å
356K29.2Very low34.6Very low207 Ų207110.8 Ų110.890%0.959%0.591SS**SBendtrans62.98.9163.9-62.5-178175.2177.70118.8
357S25.7Very low36.1Very low67 Ų67107.6 Ų107.647%0.46958%0.581SS.*  trans-90.5107.4174.145.50000112.9S355 T359S355-S357 VanDerWaalsContact C-N 3.31Å; S355-S357 PolarHBondContact O-N 2.67Å; S355-S357 VanDerWaalsContact O-N 3.09Å; S357-T359 PolarHBondContact O-N 3.18Å
358N29.6Very low37.8Very low172 Ų172104.8 Ų104.892%0.9256%0.559SS**  trans-77.454.3176.3-78.5-4.8000113
359T31.8Very low39.1Very low108 Ų108106.5 Ų106.566%0.66357%0.569SS**  trans-111.482.5174.849.50000110S357 T361S357-T359 PolarHBondContact O-N 3.18Å; T359-T361 PolarHBondContact O-N 3.3Å
360L39.9Very low40.7Very low136 Ų136114.6 Ų114.671%0.71260%0.596SS**  trans-72.390.9-178.2-159.1116.9000110.2F365L360-F365 HydrophobicContact CD2-CB 4.17Å; L360-F365 HydrophobicContact CD2-CD2 4.26Å
361T44.1Very low42.3Very low82 Ų82109.7 Ų109.750%0.50357%0.571SS.*  trans-64.8140.9-174.962.50000111.2T359 H363 S364 F365T359-T361 PolarHBondContact O-N 3.3Å; T361-H363 PolarHBondContact O-N 2.92Å; T361-H363 VanDerWaalsContact O-N 3.09Å; T361-S364 PolarHBondContact N-OG 3.48Å; T361-S364 WeakPolarHBondContact O-CA 3.37Å; T361-S364 WeakPolarHBondContact O-CB 3.39Å; T361-S364 PolarHBondContact O-N 2.92Å; T361-S364 PolarHBondContact O-OG 3.3Å; T361-S364 PolarHBondContact OG1-OG 2.97Å; T361-F365 PolarHBondContact O-N 3.43Å; T361-F365 VanDerWaalsContact O-N 3.11Å
362F46.1Very low43.6Very low154 Ų154107.1 Ų107.168%0.67556%0.556SS**Hα-helixtrans-57-30.6-177.8-167.1-113.7000112.9F365 I366F362-F365 HydrophobicContact CD2-CD1 4.5Å; F362-F365 HydrophobicContact CE2-CD1 4.48Å; F362-F365 PolarHBondContact O-N 2.95Å; F362-I366 HydrophobicContact CD1-CD1 3.77Å; F362-I366 HydrophobicContact CD1-CG1 4.48Å; F362-I366 HydrophobicContact CE1-CD1 3.46Å; F362-I366 VanDerWaalsContact CE1-CD1 3.46Å; F362-I366 HydrophobicContact CE1-CG1 4.3Å; F362-I366 HydrophobicContact CZ-CD1 4.07Å; F362-I366 PolarHBondContact O-N 3.39Å
363H49.1Very low45Very low156 Ų156103.4 Ų103.472%0.72254%0.536SS*.Hα-helixtrans-66.2-38.9173.1-166.9-81.9000113T361 S367T361-H363 PolarHBondContact O-N 2.92Å; T361-H363 VanDerWaalsContact O-N 3.09Å; H363-S367 VanDerWaalsContact O-CB 3.29Å; H363-S367 WeakPolarHBondContact O-CB 3.39Å; H363-S367 PolarHBondContact O-N 2.93Å
364S51.7Low46.4Very low31 Ų3198.7 Ų98.722%0.21752%0.515CS..Hα-helixtrans-66.4-38.4172.873.50000111.6T361 S367 N368T361-S364 PolarHBondContact N-OG 3.48Å; T361-S364 WeakPolarHBondContact O-CA 3.37Å; T361-S364 WeakPolarHBondContact O-CB 3.39Å; T361-S364 PolarHBondContact O-N 2.92Å; T361-S364 PolarHBondContact O-OG 3.3Å; T361-S364 PolarHBondContact OG1-OG 2.97Å; S364-S367 PolarHBondContact O-N 3.32Å; S364-N368 WeakPolarHBondContact O-CB 3.29Å; S364-N368 VanDerWaalsContact O-CG 3.24Å; S364-N368 PolarHBondContact O-N 2.96Å
365F53.5Low47.5Very low99 Ų9994.6 Ų94.643%0.43449%0.49SS..Hα-helixtrans-63.9-47.1175.6-176.6-112.9000111.9L360 T361 F362 S367 N368 L369L360-F365 HydrophobicContact CD2-CB 4.17Å; L360-F365 HydrophobicContact CD2-CD2 4.26Å; T361-F365 PolarHBondContact O-N 3.43Å; T361-F365 VanDerWaalsContact O-N 3.11Å; F362-F365 HydrophobicContact CD2-CD1 4.5Å; F362-F365 HydrophobicContact CE2-CD1 4.48Å; F362-F365 PolarHBondContact O-N 2.95Å; F365-S367 PolarHBondContact O-N 2.84Å; F365-N368 PolarHBondContact O-N 3.41Å; F365-L369 HydrophobicContact CD1-CD1 3.95Å; F365-L369 HydrophobicContact CE1-CD1 3.42Å; F365-L369 VanDerWaalsContact CE1-CD1 3.42Å; F365-L369 HydrophobicContact CE2-CD1 4.27Å; F365-L369 HydrophobicContact CZ-CD1 3.61Å; F365-L369 HydrophobicContact CZ-CG 4.44Å; F365-L369 WeakPolarHBondContact O-CB 3.41Å; F365-L369 PolarHBondContact O-N 3.44Å
366I56.9Low48.8Very low84 Ų8494.5 Ų94.543%0.43148%0.477SS..Hα-helixtrans-63.2-39.6174.2-73.2177000111.7F362 N368 L369 R370F362-I366 HydrophobicContact CD1-CD1 3.77Å; F362-I366 HydrophobicContact CD1-CG1 4.48Å; F362-I366 HydrophobicContact CE1-CD1 3.46Å; F362-I366 VanDerWaalsContact CE1-CD1 3.46Å; F362-I366 HydrophobicContact CE1-CG1 4.3Å; F362-I366 HydrophobicContact CZ-CD1 4.07Å; F362-I366 PolarHBondContact O-N 3.39Å; I366-N368 VanDerWaalsContact C-N 3.35Å; I366-N368 PolarHBondContact O-N 3.09Å; I366-L369 PolarHBondContact O-N 2.9Å; I366-R370 VanDerWaalsContact O-CB 3.24Å; I366-R370 WeakPolarHBondContact O-CB 3.38Å; I366-R370 PolarHBondContact O-N 3.42Å
367S58.7Low49.8Very low32 Ų3293.4 Ų93.422%0.22447%0.469CS..Hα-helixtrans-60.9-43.7175.5-176.20000111.8H363 S364 F365 R370 S371H363-S367 VanDerWaalsContact O-CB 3.29Å; H363-S367 WeakPolarHBondContact O-CB 3.39Å; H363-S367 PolarHBondContact O-N 2.93Å; S364-S367 PolarHBondContact O-N 3.32Å; F365-S367 PolarHBondContact O-N 2.84Å; S367-R370 PolarHBondContact O-N 2.87Å; S367-S371 WeakPolarHBondContact O-CB 3.28Å; S367-S371 PolarHBondContact O-N 3.38Å; S367-S371 PolarHBondContact O-OG 3.04Å
368N60.3Low50.9Low47 Ų4795.1 Ų95.125%0.25147%0.468SS..Hα-helixtrans-70.6-40.9178.1-70.2-9.3000111.9F319 S364 F365 I366 R370 S371 F372F319-N368 HydrophobicContact CE1-CB 4.27Å; F319-N368 HydrophobicContact CZ-CB 3.88Å; S364-N368 WeakPolarHBondContact O-CB 3.29Å; S364-N368 VanDerWaalsContact O-CG 3.24Å; S364-N368 PolarHBondContact O-N 2.96Å; F365-N368 PolarHBondContact O-N 3.41Å; I366-N368 VanDerWaalsContact C-N 3.35Å; I366-N368 PolarHBondContact O-N 3.09Å; N368-R370 VanDerWaalsContact C-N 3.33Å; N368-R370 PolarHBondContact O-N 3.16Å; N368-S371 PolarHBondContact O-N 3.49Å; N368-F372 VanDerWaalsContact O-CB 3.27Å; N368-F372 WeakPolarHBondContact O-CB 3.29Å; N368-F372 PolarHBondContact O-N 2.98Å
369L59.1Low51.9Low92 Ų9288.2 Ų88.248%0.48243%0.43SS..Hα-helixtrans-61.6-39.2171.8-102.2165.6000112.3F365 I366 G373F365-L369 HydrophobicContact CD1-CD1 3.95Å; F365-L369 HydrophobicContact CE1-CD1 3.42Å; F365-L369 VanDerWaalsContact CE1-CD1 3.42Å; F365-L369 HydrophobicContact CE2-CD1 4.27Å; F365-L369 HydrophobicContact CZ-CD1 3.61Å; F365-L369 HydrophobicContact CZ-CG 4.44Å; F365-L369 WeakPolarHBondContact O-CB 3.41Å; F365-L369 PolarHBondContact O-N 3.44Å; I366-L369 PolarHBondContact O-N 2.9Å; L369-G373 PolarHBondContact O-N 3.22Å
370R59.9Low52.8Low199 Ų19983.3 Ų83.375%0.75140%0.4SS*.Hα-helixtrans-69.1-40.3176.5-170.9173.4-175.9135.52.1111.3I366 S367 N368 F374I366-R370 VanDerWaalsContact O-CB 3.24Å; I366-R370 WeakPolarHBondContact O-CB 3.38Å; I366-R370 PolarHBondContact O-N 3.42Å; S367-R370 PolarHBondContact O-N 2.87Å; N368-R370 VanDerWaalsContact C-N 3.33Å; N368-R370 PolarHBondContact O-N 3.16Å; R370-F374 VanDerWaalsContact O-CB 3.26Å; R370-F374 WeakPolarHBondContact O-CB 3.28Å; R370-F374 PolarHBondContact O-N 3.33Å
371S57.5Low53.6Low23 Ų2378.7 Ų78.716%0.16138%0.376CS..Hα-helixtrans-69.1-40.7175.9-58.50000111.9S367 N368 F374 M375S367-S371 WeakPolarHBondContact O-CB 3.28Å; S367-S371 PolarHBondContact O-N 3.38Å; S367-S371 PolarHBondContact O-OG 3.04Å; N368-S371 PolarHBondContact O-N 3.49Å; S371-F374 PolarHBondContact O-N 2.9Å; S371-M375 PolarHBondContact O-N 3.12Å
372F56.3Low54.3Low52 Ų5275.3 Ų75.323%0.22836%0.355CS..Hα-helixtrans-63.4-46.4172.4176.9-103.3000111.9V312 A315 V316 N368 F374 M375 F376V312-F372 HydrophobicContact CG1-CZ 4.4Å; A315-F372 HydrophobicContact CB-CE2 4.09Å; V316-F372 HydrophobicContact CB-CE2 4.45Å; V316-F372 HydrophobicContact CG2-CE2 3.52Å; V316-F372 HydrophobicContact CG2-CZ 3.84Å; N368-F372 VanDerWaalsContact O-CB 3.27Å; N368-F372 WeakPolarHBondContact O-CB 3.29Å; N368-F372 PolarHBondContact O-N 2.98Å; F372-F374 VanDerWaalsContact C-N 3.29Å; F372-F374 PolarHBondContact O-N 2.62Å; F372-M375 CarbonylContact O-C 3.55Å; F372-M375 PolarHBondContact O-N 2.9Å; F372-F376 WeakPolarHBondContact O-CB 3.27Å; F372-F376 PolarHBondContact O-N 2.97Å
373G54Low54.9Low34 Ų3471.1 Ų71.135%0.35134%0.34SS..Hα-helixtrans-60.7-37.3173.600000112.5L369 F376 Y377L369-G373 PolarHBondContact O-N 3.22Å; G373-F376 PolarHBondContact O-N 3.08Å; G373-Y377 VanDerWaalsContact O-CB 3.27Å; G373-Y377 WeakPolarHBondContact O-CB 3.39Å; G373-Y377 PolarHBondContact O-N 3.24Å
374F54.4Low55.8Low98 Ų9865.1 Ų65.143%0.4331%0.313SS..Hα-helixtrans-70.8-37.7174.7-152.9-91.5000112.1R370 S371 F372 F376 Y377 F378R370-F374 VanDerWaalsContact O-CB 3.26Å; R370-F374 WeakPolarHBondContact O-CB 3.28Å; R370-F374 PolarHBondContact O-N 3.33Å; S371-F374 PolarHBondContact O-N 2.9Å; F372-F374 VanDerWaalsContact C-N 3.29Å; F372-F374 PolarHBondContact O-N 2.62Å; F374-F376 VanDerWaalsContact C-N 3.34Å; F374-Y377 PolarHBondContact O-N 3.45Å; F374-F378 HydrophobicContact CD1-CB 4.31Å; F374-F378 AromaticContact CD1-CD2 3.74Å; F374-F378 HydrophobicContact CD1-CD2 3.74Å; F374-F378 HydrophobicContact CD1-CG 4.39Å; F374-F378 AromaticContact CD2-CD2 3.99Å; F374-F378 HydrophobicContact CD2-CD2 3.99Å; F374-F378 HydrophobicContact CD2-CE2 4.23Å; F374-F378 HydrophobicContact CE1-CB 4.25Å; F374-F378 AromaticContact CE1-CD2 3.36Å; F374-F378 HydrophobicContact CE1-CD2 3.36Å; F374-F378 AromaticContact CE1-CE2 3.94Å; F374-F378 HydrophobicContact CE1-CE2 3.94Å; F374-F378 AromaticContact CE1-CG 3.99Å; F374-F378 HydrophobicContact CE1-CG 3.99Å; F374-F378 AromaticContact CE2-CD2 3.64Å; F374-F378 HydrophobicContact CE2-CD2 3.64Å; F374-F378 AromaticContact CE2-CE2 3.54Å; F374-F378 HydrophobicContact CE2-CE2 3.54Å; F374-F378 HydrophobicContact CG-CD2 4.05Å; F374-F378 AromaticContact CZ-CD2 3.31Å; F374-F378 HydrophobicContact CZ-CD2 3.31Å; F374-F378 AromaticContact CZ-CE2 3.37Å; F374-F378 HydrophobicContact CZ-CE2 3.37Å; F374-F378 HydrophobicContact CZ-CG 4.26Å; F374-F378 HydrophobicContact CZ-CZ 4.35Å; F374-F378 WeakPolarHBondContact O-CB 3.5Å; F374-F378 PolarHBondContact O-N 3.04Å
375M54Low56.5Low17 Ų1764.7 Ų64.78%0.08431%0.307CS..Hα-helixtrans-64.1-36169.7-79.7-164.873.200112.3T318 F319 S371 F372 Q379 T380T318-M375 WeakPolarHBondContact OG1-CE 3.37Å; F319-M375 HydrophobicContact CB-SD 3.87Å; F319-M375 HydrophobicContact CD2-SD 3.96Å; F319-M375 HydrophobicContact CG-SD 4.39Å; S371-M375 PolarHBondContact O-N 3.12Å; F372-M375 CarbonylContact O-C 3.55Å; F372-M375 PolarHBondContact O-N 2.9Å; M375-Q379 CarbonylContact O-C 3.43Å; M375-Q379 WeakPolarHBondContact O-CA 3.31Å; M375-Q379 PolarHBondContact O-N 2.87Å; M375-T380 HydrophobicContact CE-CG2 4.16Å; M375-T380 PolarHBondContact O-N 3.38Å
376F53.8Low57.2Low95 Ų9561.4 Ų61.442%0.41729%0.294SS..Hα-helixtrans-70.9-39.4176.2-166.6-108.8000111.5F308 V312 F372 G373 F374F308-F376 HydrophobicContact CE2-CZ 4.13Å; V312-F376 HydrophobicContact CG2-CD2 4.49Å; V312-F376 HydrophobicContact CG2-CE2 3.61Å; V312-F376 HydrophobicContact CG2-CZ 4.14Å; F372-F376 WeakPolarHBondContact O-CB 3.27Å; F372-F376 PolarHBondContact O-N 2.97Å; G373-F376 PolarHBondContact O-N 3.08Å; F374-F376 VanDerWaalsContact C-N 3.34Å
377Y48.5Very low58.1Low183 Ų18358.1 Ų58.172%0.71828%0.277SS*.Hα-helixtrans-78.5-44.4-177.3-157-91.4000113.6G373 F374G373-Y377 VanDerWaalsContact O-CB 3.27Å; G373-Y377 WeakPolarHBondContact O-CB 3.39Å; G373-Y377 PolarHBondContact O-N 3.24Å; F374-Y377 PolarHBondContact O-N 3.45Å
378F50.1Low58.9Low103 Ų10356.7 Ų56.745%0.45227%0.267SS..Hα-helixtrans-95.12.8177.5-77.8-74.8000114.6H344 F374H344-F378 AromaticContact CE1-CD1 3.48Å; H344-F378 VanDerWaalsContact CE1-CD1 3.48Å; H344-F378 WeakPolarHBondContact CE1-CD1 3.2Å; H344-F378 AromaticContact CE1-CE1 3.55Å; H344-F378 AromaticContact NE2-CE1 3.87Å; F374-F378 HydrophobicContact CD1-CB 4.31Å; F374-F378 AromaticContact CD1-CD2 3.74Å; F374-F378 HydrophobicContact CD1-CD2 3.74Å; F374-F378 HydrophobicContact CD1-CG 4.39Å; F374-F378 AromaticContact CD2-CD2 3.99Å; F374-F378 HydrophobicContact CD2-CD2 3.99Å; F374-F378 HydrophobicContact CD2-CE2 4.23Å; F374-F378 HydrophobicContact CE1-CB 4.25Å; F374-F378 AromaticContact CE1-CD2 3.36Å; F374-F378 HydrophobicContact CE1-CD2 3.36Å; F374-F378 AromaticContact CE1-CE2 3.94Å; F374-F378 HydrophobicContact CE1-CE2 3.94Å; F374-F378 AromaticContact CE1-CG 3.99Å; F374-F378 HydrophobicContact CE1-CG 3.99Å; F374-F378 AromaticContact CE2-CD2 3.64Å; F374-F378 HydrophobicContact CE2-CD2 3.64Å; F374-F378 AromaticContact CE2-CE2 3.54Å; F374-F378 HydrophobicContact CE2-CE2 3.54Å; F374-F378 HydrophobicContact CG-CD2 4.05Å; F374-F378 AromaticContact CZ-CD2 3.31Å; F374-F378 HydrophobicContact CZ-CD2 3.31Å; F374-F378 AromaticContact CZ-CE2 3.37Å; F374-F378 HydrophobicContact CZ-CE2 3.37Å; F374-F378 HydrophobicContact CZ-CG 4.26Å; F374-F378 HydrophobicContact CZ-CZ 4.35Å; F374-F378 WeakPolarHBondContact O-CB 3.5Å; F374-F378 PolarHBondContact O-N 3.04Å
379Q49.7Very low59.5Low28 Ų2855 Ų5513%0.13126%0.258CS..  trans73.4150.2176.4-166.5157.1-27.200116.4M311 M375M311-Q379 HydrophobicContact CE-CG 4.27Å; M375-Q379 CarbonylContact O-C 3.43Å; M375-Q379 WeakPolarHBondContact O-CA 3.31Å; M375-Q379 PolarHBondContact O-N 2.87Å
380T51.9Low60.2Low5 Ų551 Ų513%0.03124%0.238CC..  trans-49.4139.3167.242.90000112.5A315 M375 V382 E385A315-T380 VanDerWaalsContact CA-CG2 3.44Å; A315-T380 HydrophobicContact CB-CG2 3.77Å; M375-T380 HydrophobicContact CE-CG2 4.16Å; M375-T380 PolarHBondContact O-N 3.38Å; T380-V382 PolarHBondContact O-N 3.41Å; T380-V382 VanDerWaalsContact O-N 3.16Å; T380-E385 WeakPolarHBondContact CB-OE1 3.42Å; T380-E385 PolarHBondContact OG1-OE1 3.07Å
381D56.8Low61Low38 Ų3841.7 Ų41.720%0.20320%0.203CC..  trans-76.7105.5175.4-140.250.2000108.4K101 F346 D383 M384 E385K101-D381 WeakPolarHBondContact CE-OD1 3.42Å; K101-D381 WeakPolarHBondContact CE-OD2 3.29Å; K101-D381 IonicContact NZ-OD1 3.27Å; K101-D381 PolarHBondContact NZ-OD1 3.21Å; K101-D381 IonicContact NZ-OD2 2.66Å; K101-D381 PolarHBondContact NZ-OD2 2.93Å; F346-D381 HydrophobicContact CZ-CB 4.03Å; D381-D383 PolarHBondContact O-N 3.29Å; D381-M384 HydrophobicContact CB-CB 4.36Å; D381-M384 HydrophobicContact CB-CG 4.21Å; D381-M384 WeakPolarHBondContact O-CA 3.46Å; D381-M384 WeakPolarHBondContact O-CB 3.33Å; D381-M384 PolarHBondContact O-N 2.89Å; D381-E385 PolarHBondContact O-N 3.02Å; D381-E385 VanDerWaalsContact O-N 3.13Å
382V57.3Low61.7Low12 Ų1240.8 Ų40.87%0.07320%0.197CC..Hα-helixtrans-55.1-25.9-169.7-178.10000113R94 T380 N386R94-V382 HydrophobicContact CG-CG1 4.3Å; R94-V382 HydrophobicContact CG-CG2 4.34Å; T380-V382 PolarHBondContact O-N 3.41Å; T380-V382 VanDerWaalsContact O-N 3.16Å; V382-N386 WeakPolarHBondContact O-CB 3.49Å; V382-N386 PolarHBondContact O-N 3.41Å; V382-N386 PolarHBondContact O-ND2 2.86Å; V382-N386 VanDerWaalsContact O-ND2 3.13Å
383D59.1Low62.6Low66 Ų6639.2 Ų39.235%0.35319%0.192SC..Hα-helixtrans-75-37.8176.7-57.6-23.6000111.1K101 D381 N386 I387K101-D383 IonicContact NZ-OD1 3.06Å; K101-D383 IonicContact NZ-OD2 3.6Å; K101-D383 PolarHBondContact NZ-OD2 3.47Å; D381-D383 PolarHBondContact O-N 3.29Å; D383-N386 PolarHBondContact O-N 3.02Å; D383-I387 WeakPolarHBondContact O-CB 3.38Å; D383-I387 VanDerWaalsContact O-CD1 3.27Å; D383-I387 WeakPolarHBondContact O-CD1 3.19Å; D383-I387 WeakPolarHBondContact O-CG1 3.33Å; D383-I387 PolarHBondContact O-N 2.69Å
384M67.9Low64Low30 Ų3037.8 Ų37.815%0.14818%0.176CC..Hα-helixtrans-66.3-39172.1-69.5-62.7-159.500111.6T318 L325 D381 N386 I387 V388T318-M384 HydrophobicContact CG2-CB 4.15Å; L325-M384 HydrophobicContact CD2-CE 3.76Å; L325-M384 HydrophobicContact CD2-SD 4.42Å; D381-M384 HydrophobicContact CB-CB 4.36Å; D381-M384 HydrophobicContact CB-CG 4.21Å; D381-M384 WeakPolarHBondContact O-CA 3.46Å; D381-M384 WeakPolarHBondContact O-CB 3.33Å; D381-M384 PolarHBondContact O-N 2.89Å; M384-N386 VanDerWaalsContact C-N 3.35Å; M384-I387 PolarHBondContact O-N 3.38Å; M384-I387 HydrophobicContact SD-CD1 4.37Å; M384-V388 WeakPolarHBondContact O-CG2 3.27Å; M384-V388 PolarHBondContact O-N 3.27Å
385E66.6Low65.3Low22 Ų2233.6 Ų33.610%0.10316%0.158CC..Hα-helixtrans-58-49.1170.8-66.2-174.1153.800110.7T314 T318 T380 D381 L389T314-E385 VanDerWaalsContact CB-OE1 3.22Å; T314-E385 WeakPolarHBondContact CB-OE1 3.35Å; T314-E385 PolarHBondContact OG1-OE1 2.88Å; T318-E385 HydrophobicContact CG2-CB 4.32Å; T318-E385 HydrophobicContact CG2-CG 3.73Å; T380-E385 WeakPolarHBondContact CB-OE1 3.42Å; T380-E385 PolarHBondContact OG1-OE1 3.07Å; D381-E385 PolarHBondContact O-N 3.02Å; D381-E385 VanDerWaalsContact O-N 3.13Å; E385-L389 WeakPolarHBondContact O-CB 3.42Å; E385-L389 VanDerWaalsContact O-CD1 3.31Å; E385-L389 WeakPolarHBondContact O-CD1 3.16Å; E385-L389 VanDerWaalsContact O-CG 3.32Å; E385-L389 WeakPolarHBondContact O-CG 3.44Å; E385-L389 PolarHBondContact O-N 3.19Å
386N69.5Low66.9Low30 Ų3032.9 Ų32.916%0.1616%0.155CC..Hα-helixtrans-59.9-47.3178.2-70.1-27.5000111.8P242 V382 D383 M384 L389 T390P242-N386 WeakPolarHBondContact CB-OD1 3.4Å; P242-N386 VanDerWaalsContact CG-OD1 3.31Å; P242-N386 WeakPolarHBondContact CG-OD1 3.46Å; V382-N386 WeakPolarHBondContact O-CB 3.49Å; V382-N386 PolarHBondContact O-N 3.41Å; V382-N386 PolarHBondContact O-ND2 2.86Å; V382-N386 VanDerWaalsContact O-ND2 3.13Å; D383-N386 PolarHBondContact O-N 3.02Å; M384-N386 VanDerWaalsContact C-N 3.35Å; N386-L389 PolarHBondContact O-N 2.99Å; N386-T390 PolarHBondContact O-N 2.75Å; N386-T390 PolarHBondContact O-OG1 2.96Å
387I74.5Confident68.6Low15 Ų1528.3 Ų28.38%0.07714%0.135CC..Hα-helixtrans-61.8-46.9-178.6-71.4158.2000111.2F321 D383 M384 L389 T390 L391 P1330F321-I387 HydrophobicContact CE1-CG2 4.23Å; F321-I387 HydrophobicContact CZ-CG2 4.45Å; D383-I387 WeakPolarHBondContact O-CB 3.38Å; D383-I387 VanDerWaalsContact O-CD1 3.27Å; D383-I387 WeakPolarHBondContact O-CD1 3.19Å; D383-I387 WeakPolarHBondContact O-CG1 3.33Å; D383-I387 PolarHBondContact O-N 2.69Å; M384-I387 PolarHBondContact O-N 3.38Å; M384-I387 HydrophobicContact SD-CD1 4.37Å; I387-L389 VanDerWaalsContact C-N 3.27Å; I387-L389 PolarHBondContact O-N 3.08Å; I387-T390 PolarHBondContact O-N 3.24Å; I387-T390 PolarHBondContact O-OG1 3Å; I387-L391 WeakPolarHBondContact O-CB 3.47Å; I387-L391 PolarHBondContact O-N 3.32Å; I387-P1330 HydrophobicContact CD1-CB 3.55Å; I387-P1330 HydrophobicContact CD1-CG 3.94Å
388V75.6Confident70.7Confident2 Ų219.6 Ų19.61%0.01210%0.101CC..Hα-helixtrans-59.8-42.4177.3172.80000110.9V317 F321 M384 G392 S1352 V1353V317-V388 HydrophobicContact CG1-CG1 3.74Å; F321-V388 HydrophobicContact CB-CG2 3.67Å; F321-V388 HydrophobicContact CD1-CG2 3.4Å; F321-V388 HydrophobicContact CD2-CG2 3.85Å; F321-V388 HydrophobicContact CE1-CG2 3.91Å; F321-V388 HydrophobicContact CE2-CG2 4.31Å; F321-V388 HydrophobicContact CG-CG2 3.35Å; F321-V388 HydrophobicContact CZ-CG2 4.33Å; M384-V388 WeakPolarHBondContact O-CG2 3.27Å; M384-V388 PolarHBondContact O-N 3.27Å; V388-G392 PolarHBondContact O-N 3.36Å; V388-S1352 VanDerWaalsContact CG1-OG 3.27Å; V388-S1352 WeakPolarHBondContact CG1-OG 3.46Å; V388-V1353 HydrophobicContact CG1-CG2 3.99Å; V388-V1353 WeakPolarHBondContact O-CG2 3.29Å
389L73Confident72.7Confident11 Ų1114.7 Ų14.76%0.0588%0.08CC..Hα-helixtrans-74-33.2-177-73.2164.4000114L243 A244 W310 E385 N386 I387 T393 V1353 L1356L243-L389 HydrophobicContact CB-CB 4.39Å; A244-L389 HydrophobicContact CB-CD1 3.31Å; W310-L389 HydrophobicContact CH2-CD1 4.46Å; E385-L389 WeakPolarHBondContact O-CB 3.42Å; E385-L389 VanDerWaalsContact O-CD1 3.31Å; E385-L389 WeakPolarHBondContact O-CD1 3.16Å; E385-L389 VanDerWaalsContact O-CG 3.32Å; E385-L389 WeakPolarHBondContact O-CG 3.44Å; E385-L389 PolarHBondContact O-N 3.19Å; N386-L389 PolarHBondContact O-N 2.99Å; I387-L389 VanDerWaalsContact C-N 3.27Å; I387-L389 PolarHBondContact O-N 3.08Å; L389-T393 PolarHBondContact O-OG1 3.45Å; L389-V1353 HydrophobicContact CD2-CG1 4.21Å; L389-V1353 HydrophobicContact CD2-CG2 3.97Å; L389-L1356 HydrophobicContact CD2-CD2 4.24Å
390T73.4Confident74.4Confident9 Ų913.8 Ų13.86%0.0558%0.076CC..Hα-helixtrans-77.6-38.7172.450.30000111.4F240 N386 I387 T393 L394 I1257F240-T390 HydrophobicContact CE1-CG2 4.07Å; F240-T390 HydrophobicContact CZ-CG2 4.4Å; N386-T390 PolarHBondContact O-N 2.75Å; N386-T390 PolarHBondContact O-OG1 2.96Å; I387-T390 PolarHBondContact O-N 3.24Å; I387-T390 PolarHBondContact O-OG1 3Å; T390-T393 CarbonylContact O-C 3.55Å; T390-T393 PolarHBondContact O-N 3.36Å; T390-T393 VanDerWaalsContact O-N 3.08Å; T390-T393 PolarHBondContact O-OG1 3.46Å; T390-L394 PolarHBondContact O-N 2.94Å; T390-L394 VanDerWaalsContact O-N 3.11Å; T390-I1257 WeakPolarHBondContact OG1-CD1 3.26Å; T390-I1257 VanDerWaalsContact OG1-CG1 3.23Å; T390-I1257 WeakPolarHBondContact OG1-CG1 3.4Å
391L78Confident76Confident3 Ų313.9 Ų13.92%0.0168%0.076CC..Hα-helixtrans-68-38.7178.7-159.376.2000110.9F321 I387 T393 L394 I1257 L1345 I1346 A1349F321-L391 HydrophobicContact CE2-CD2 4.17Å; F321-L391 HydrophobicContact CZ-CD2 4.03Å; I387-L391 WeakPolarHBondContact O-CB 3.47Å; I387-L391 PolarHBondContact O-N 3.32Å; L391-T393 PolarHBondContact O-N 3.42Å; L391-L394 HydrophobicContact CD1-CD2 4.01Å; L391-L394 WeakPolarHBondContact O-CB 3.19Å; L391-L394 PolarHBondContact O-N 2.96Å; L391-I1257 HydrophobicContact CB-CD1 3.79Å; L391-I1257 HydrophobicContact CD1-CD1 3.54Å; L391-I1257 HydrophobicContact CG-CD1 4.3Å; L391-L1345 HydrophobicContact CD2-CB 4.34Å; L391-L1345 HydrophobicContact CD2-CD2 3.88Å; L391-L1345 HydrophobicContact CD2-CG 3.73Å; L391-I1346 HydrophobicContact CD1-CG1 3.83Å; L391-I1346 HydrophobicContact CD2-CG1 4.14Å; L391-I1346 HydrophobicContact CG-CB 4.45Å; L391-I1346 HydrophobicContact CG-CG1 3.84Å; L391-A1349 HydrophobicContact CB-CB 3.8Å; L391-A1349 HydrophobicContact CD2-CB 3.81Å; L391-A1349 HydrophobicContact CG-CB 4.04Å
392G71.9Confident77.4Confident3 Ų312.9 Ų12.93%0.0317%0.07CC..THydrogen-bonded Turntrans-70.6-2.1171.500000115V388 H1350V388-G392 PolarHBondContact O-N 3.36Å; G392-H1350 PolarHBondContact O-CD2 2.54Å
393T75.7Confident78.4Confident20 Ų2013.9 Ų13.912%0.1237%0.074CC..THydrogen-bonded Turntrans-126.424.5168.347.40000112.8L243 L389 T390 L391 T1236L243-T393 HydrophobicContact CD2-CG2 3.43Å; L243-T393 VanDerWaalsContact CD2-CG2 3.43Å; L389-T393 PolarHBondContact O-OG1 3.45Å; T390-T393 CarbonylContact O-C 3.55Å; T390-T393 PolarHBondContact O-N 3.36Å; T390-T393 VanDerWaalsContact O-N 3.08Å; T390-T393 PolarHBondContact O-OG1 3.46Å; L391-T393 PolarHBondContact O-N 3.42Å; T393-T1236 PolarHBondContact O-OG1 3.43Å
394L82.5Confident79.1Confident4 Ų410.8 Ų10.82%0.0216%0.058CC..  trans-69.9128.5-174.4-174.466.2000113.3T390 L391 S396 V397 T1236 C1238 I1257 I1346 P1482T390-L394 PolarHBondContact O-N 2.94Å; T390-L394 VanDerWaalsContact O-N 3.11Å; L391-L394 HydrophobicContact CD1-CD2 4.01Å; L391-L394 WeakPolarHBondContact O-CB 3.19Å; L391-L394 PolarHBondContact O-N 2.96Å; L394-S396 WeakPolarHBondContact CD1-O 3.29Å; L394-V397 HydrophobicContact CD2-CG2 3.69Å; L394-T1236 WeakPolarHBondContact CA-OG1 3.42Å; L394-C1238 HydrophobicContact CD1-CB 3.45Å; L394-C1238 VanDerWaalsContact CD1-CB 3.45Å; L394-C1238 HydrophobicContact CD2-CB 3.87Å; L394-C1238 HydrophobicContact CG-CB 4.31Å; L394-I1257 HydrophobicContact CD1-CD1 4.34Å; L394-I1346 HydrophobicContact CD2-CD1 3.66Å; L394-I1346 HydrophobicContact CD2-CG1 3.95Å; L394-P1482 WeakPolarHBondContact O-CB 3.08Å
395S81.9Confident79.8Confident9 Ų99.4 Ų9.46%0.0635%0.051CC..  trans-107.6-28.4-179.666.70000114.8R982 D1235 T1236S395-R982 PolarHBondContact O-N 3.44Å; S395-D1235 WeakPolarHBondContact OG-CA 3.23Å; S395-D1235 WeakPolarHBondContact OG-CB 3.41Å; S395-D1235 PolarHBondContact OG-OD1 3.32Å; S395-T1236 WeakPolarHBondContact CB-OG1 3.42Å; S395-T1236 PolarHBondContact N-O 3.34Å; S395-T1236 PolarHBondContact N-OG1 2.92Å; S395-T1236 PolarHBondContact OG-N 2.8Å; S395-T1236 PolarHBondContact OG-O 3.49Å; S395-T1236 PolarHBondContact OG-OG1 2.99Å; S395-T1236 VanDerWaalsContact OG-OG1 3.14Å
396S86.7Confident80.8Confident2 Ų28.3 Ų8.31%0.0145%0.046CC..EExtended strand (participates in β ladder)trans-142.1138.7-178.356.20000112.5L394 R982 T1236 C1238L394-S396 WeakPolarHBondContact CD1-O 3.29Å; S396-R982 CarbonylContact C-O 3.58Å; S396-R982 VanDerWaalsContact CA-O 3.31Å; S396-R982 WeakPolarHBondContact CA-O 3.49Å; S396-T1236 PolarHBondContact N-O 3.44Å; S396-T1236 VanDerWaalsContact N-O 3.12Å; S396-T1236 PolarHBondContact OG-O 2.7Å; S396-C1238 PolarHBondContact O-N 3.3Å
397V90.1Very high81.6Confident0 Ų06.9 Ų6.90%04%0.038CC..EExtended strand (participates in β ladder)trans-112.6112173.3174.10000107.5L394 L976 I981 R982 F983 V984 I1240 I1346L394-V397 HydrophobicContact CD2-CG2 3.69Å; V397-L976 HydrophobicContact CB-CD1 4.33Å; V397-L976 HydrophobicContact CG1-CD1 4.5Å; V397-L976 HydrophobicContact CG2-CD1 4.14Å; V397-L976 HydrophobicContact CG2-CD2 4.25Å; V397-I981 HydrophobicContact CG2-CG2 4.02Å; V397-R982 PolarHBondContact N-O 2.96Å; V397-F983 HydrophobicContact CB-CD2 4.22Å; V397-F983 HydrophobicContact CG1-CD2 3.89Å; V397-F983 HydrophobicContact CG1-CE2 4.03Å; V397-F983 CarbonylContact O-C 3.57Å; V397-F983 WeakPolarHBondContact O-CA 3.27Å; V397-V984 PolarHBondContact O-N 3.22Å; V397-I1240 HydrophobicContact CG1-CD1 3.44Å; V397-I1240 VanDerWaalsContact CG1-CD1 3.44Å; V397-I1240 HydrophobicContact CG1-CG1 4.11Å; V397-I1346 HydrophobicContact CG2-CD1 4.28Å
398C92.1Very high81.8Confident0 Ų06.6 Ų6.60%04%0.037CC..EExtended strand (participates in β ladder)trans-107.7126-174.5-68.30000110.5V984 F986 V1237 C1238 L1239 I1240C398-V984 CarbonylContact C-O 3.59Å; C398-V984 WeakPolarHBondContact CA-O 3.12Å; C398-F986 HydrophobicContact CB-CD2 4.27Å; C398-F986 HydrophobicContact CB-CE2 3.84Å; C398-V1237 HydrophobicContact CB-CG1 4.24Å; C398-C1238 PolarHBondContact N-O 2.92Å; C398-L1239 HydrophobicContact CB-CD1 3.71Å; C398-L1239 CarbonylContact O-C 3.55Å; C398-L1239 WeakPolarHBondContact O-CA 3.48Å; C398-I1240 PolarHBondContact O-N 3.32Å
399C91.4Very high81.8Confident0 Ų07 Ų70%04%0.04CC..EExtended strand (participates in β ladder)trans-112.1132.4177.7-162.60000111.7N401 I406 F983 V984 F986 I1240C399-N401 PolarHBondContact SG-O 3.39Å; C399-N401 VanDerWaalsContact SG-O 3.35Å; C399-I406 HydrophobicContact CB-CD1 4.47Å; C399-F983 HydrophobicContact CB-CE2 4.39Å; C399-F983 HydrophobicContact CB-CZ 3.8Å; C399-V984 PolarHBondContact N-O 3.23Å; C399-F986 PolarHBondContact O-N 3.22Å; C399-I1240 WeakPolarHBondContact CA-O 3.43Å
400V87.3Confident81.9Confident8 Ų87 Ų75%0.0484%0.039CC..  trans-109.7-12.2-172.6-173.60000113.6V1223 L1239 I1240 L1251V400-V1223 HydrophobicContact CG2-CG1 4.28Å; V400-L1239 HydrophobicContact CG2-CD1 3.49Å; V400-L1239 VanDerWaalsContact CG2-CD1 3.49Å; V400-L1239 HydrophobicContact CG2-CD2 4.12Å; V400-L1239 HydrophobicContact CG2-CG 3.9Å; V400-I1240 PolarHBondContact N-O 3.18Å; V400-L1251 HydrophobicContact CG1-CD1 3.9Å; V400-L1251 HydrophobicContact CG2-CD1 4.48Å
401N84.7Confident82.2Confident8 Ų86.7 Ų6.74%0.0434%0.038CC..  trans-124.7133.3173.5-58.1101.2000110.4C399 V405 G1241 S1242 N1248C399-N401 PolarHBondContact SG-O 3.39Å; C399-N401 VanDerWaalsContact SG-O 3.35Å; N401-V405 HydrophobicContact CB-CG2 4.16Å; N401-G1241 WeakPolarHBondContact OD1-CA 3.34Å; N401-S1242 PolarHBondContact OD1-N 3.47Å; N401-N1248 PolarHBondContact OD1-ND2 3.28Å
402Q85.3Confident82.4Confident16 Ų166.7 Ų6.78%0.0754%0.038CC..  trans-77.4-59.3171-175.4161.2-72.400110.2G404 V405 I406 S407 H985 E989 F997Q402-G404 PolarHBondContact O-N 3.23Å; Q402-V405 PolarHBondContact O-N 2.69Å; Q402-I406 WeakPolarHBondContact O-CG1 3.46Å; Q402-I406 PolarHBondContact O-N 3.07Å; Q402-S407 PolarHBondContact O-N 2.84Å; Q402-S407 PolarHBondContact O-OG 2.82Å; Q402-S407 VanDerWaalsContact O-OG 3.11Å; Q402-H985 PolarHBondContact OE1-CE1 3.47Å; Q402-H985 VanDerWaalsContact OE1-CE1 3.29Å; Q402-E989 PolarHBondContact NE2-OE2 2.85Å; Q402-F997 HydrophobicContact CG-CD1 3.94Å; Q402-F997 HydrophobicContact CG-CE1 3.59Å; Q402-F997 HydrophobicContact CG-CE2 4.5Å; Q402-F997 HydrophobicContact CG-CZ 3.93Å
403E79.1Confident83.1Confident34 Ų346.8 Ų6.816%0.1594%0.038CC..THydrogen-bonded Turntrans-64.9123.3-165.7-64.5160.5162.200113.8V135 V405 S407 Y963V135-E403 VanDerWaalsContact CA-OE2 3.28Å; V135-E403 WeakPolarHBondContact CA-OE2 3.48Å; V135-E403 PolarHBondContact N-OE2 3.12Å; E403-V405 PolarHBondContact O-N 2.65Å; E403-S407 WeakPolarHBondContact CA-OG 3.19Å; E403-Y963 HydrophobicContact CG-CE1 4Å; E403-Y963 HydrophobicContact CG-CE2 4.37Å; E403-Y963 PolarHBondContact OE1-OH 3.32Å
404G74.7Confident83.6Confident1 Ų17 Ų71%0.014%0.038CC..THydrogen-bonded Turntrans67.8-8.6177.800000115.6Q402 S407 Q408 P1263 I1264Q402-G404 PolarHBondContact O-N 3.23Å; G404-S407 CarbonylContact C-O 3.55Å; G404-S407 WeakPolarHBondContact CA-O 3.34Å; G404-S407 PolarHBondContact N-O 3.03Å; G404-Q408 PolarHBondContact N-O 2.74Å; G404-P1263 VanDerWaalsContact O-CA 3.29Å; G404-P1263 WeakPolarHBondContact O-CA 3.34Å; G404-I1264 PolarHBondContact O-N 3.3Å
405V82.5Confident84Confident0 Ų09.7 Ų9.70%05%0.049CC..THydrogen-bonded Turntrans-101.8-49.9178.4-177.40000111.1N401 Q402 E403 I1240 V1261 P1263 I1335N401-V405 HydrophobicContact CB-CG2 4.16Å; Q402-V405 PolarHBondContact O-N 2.69Å; E403-V405 PolarHBondContact O-N 2.65Å; V405-I1240 HydrophobicContact CG1-CG2 4.1Å; V405-V1261 HydrophobicContact CG1-CB 4.26Å; V405-V1261 HydrophobicContact CG1-CG1 4.23Å; V405-V1261 HydrophobicContact CG1-CG2 4.35Å; V405-P1263 HydrophobicContact CG2-CB 4.05Å; V405-I1335 HydrophobicContact CG1-CD1 4.46Å; V405-I1335 WeakPolarHBondContact O-CD1 3.24Å
406I87.3Confident84.5Confident0 Ų09.3 Ų9.30%05%0.046CC..THydrogen-bonded Turntrans-121.2-22.8177.561.8176.6000113.4C399 Q402 N966 V969 F983 F997 L1001C399-I406 HydrophobicContact CB-CD1 4.47Å; Q402-I406 WeakPolarHBondContact O-CG1 3.46Å; Q402-I406 PolarHBondContact O-N 3.07Å; I406-N966 WeakPolarHBondContact O-CB 3.47Å; I406-N966 PolarHBondContact O-N 3.47Å; I406-V969 HydrophobicContact CB-CG1 4.06Å; I406-V969 HydrophobicContact CG2-CG1 3.84Å; I406-V969 HydrophobicContact CG2-CG2 4.44Å; I406-F983 HydrophobicContact CG2-CZ 4.43Å; I406-F997 HydrophobicContact CD1-CE1 3.99Å; I406-F997 HydrophobicContact CG1-CE1 4.1Å; I406-F997 HydrophobicContact CG1-CZ 4.26Å; I406-L1001 HydrophobicContact CB-CD2 4.4Å; I406-L1001 HydrophobicContact CD1-CD1 4.06Å
407S86.3Confident84.8Confident0 Ų09.6 Ų9.60%05%0.047CC..BIsolated β-bridgetrans-101.7173.8163.969.40000111.8Q402 E403 G404 Q964Q402-S407 PolarHBondContact O-N 2.84Å; Q402-S407 PolarHBondContact O-OG 2.82Å; Q402-S407 VanDerWaalsContact O-OG 3.11Å; E403-S407 WeakPolarHBondContact CA-OG 3.19Å; G404-S407 CarbonylContact C-O 3.55Å; G404-S407 WeakPolarHBondContact CA-O 3.34Å; G404-S407 PolarHBondContact N-O 3.03Å; S407-Q964 CarbonylContact C-O 3.6Å; S407-Q964 WeakPolarHBondContact CA-O 3.36Å; S407-Q964 WeakPolarHBondContact CB-O 3.42Å
408Q79Confident84.9Confident9 Ų99.6 Ų9.64%0.0425%0.047CC..  trans-58.1161.8154.7-68.9-177.2-42.800111.2G404 L410 F528 Q964G404-Q408 PolarHBondContact N-O 2.74Å; Q408-L410 VanDerWaalsContact C-N 3.28Å; Q408-L410 PolarHBondContact O-N 3.36Å; Q408-F528 HydrophobicContact CG-CD2 3.78Å; Q408-F528 HydrophobicContact CG-CE2 3.54Å; Q408-F528 HydrophobicContact CG-CZ 4.47Å; Q408-F528 PolarHBondContact NE2-O 3.44Å; Q408-Q964 HydrophobicContact CG-CB 4.39Å; Q408-Q964 PolarHBondContact N-O 3.46Å
409S74.5Confident84.9Confident11 Ų119.7 Ų9.78%0.0775%0.047CC..SBendtrans-78.1-5.1-179.545.40000115.1M134 I1264M134-S409 VanDerWaalsContact O-O 3.08Å; S409-I1264 VanDerWaalsContact CB-O 3.26Å; S409-I1264 WeakPolarHBondContact CB-O 3.45Å
410L75.3Confident84.9Confident10 Ų1010.8 Ų10.85%0.0525%0.053CC..SBendtrans-142.2149177.5-60.4171.8000108.8M134 Q408 F532 F595 P1266M134-L410 HydrophobicContact CE-CD2 3.8Å; Q408-L410 VanDerWaalsContact C-N 3.28Å; Q408-L410 PolarHBondContact O-N 3.36Å; L410-F532 HydrophobicContact CD1-CE1 3.81Å; L410-F532 HydrophobicContact CD1-CZ 4.46Å; L410-F595 HydrophobicContact CB-CD1 4.44Å; L410-F595 HydrophobicContact CB-CE1 4.06Å; L410-F595 HydrophobicContact CB-CZ 4.2Å; L410-F595 HydrophobicContact CD1-CB 4.12Å; L410-F595 HydrophobicContact CD1-CD1 3.87Å; L410-F595 HydrophobicContact CD1-CD2 4.26Å; L410-F595 HydrophobicContact CD1-CE1 4.31Å; L410-F595 HydrophobicContact CD1-CG 3.83Å; L410-F595 HydrophobicContact CD2-CD1 3.7Å; L410-F595 HydrophobicContact CD2-CE1 3.91Å; L410-F595 HydrophobicContact CD2-CG 4.48Å; L410-F595 HydrophobicContact CG-CD1 4.21Å; L410-F595 HydrophobicContact CG-CE1 4.31Å; L410-P1266 HydrophobicContact CD1-CB 3.94Å; L410-P1266 HydrophobicContact CD2-CB 4.05Å; L410-P1266 HydrophobicContact CG-CB 3.89Å
411P80.8Confident84.8Confident3 Ų313.7 Ų13.72%0.0196%0.063CC..PPolyproline II helixtrans-75.7139.7170.231.6-32.8000110.2L591 F595 Y726 M961 Q962 Y963P411-L591 HydrophobicContact CG-CD2 3.51Å; P411-F595 HydrophobicContact CG-CZ 4.5Å; P411-F595 VanDerWaalsContact O-CZ 3.31Å; P411-F595 WeakPolarHBondContact O-CZ 3.47Å; P411-Y726 HydrophobicContact CB-CD2 4.47Å; P411-Y726 HydrophobicContact CG-CD2 4.48Å; P411-M961 HydrophobicContact CB-CB 4.49Å; P411-M961 VanDerWaalsContact O-CE 3.26Å; P411-M961 WeakPolarHBondContact O-CE 3.45Å; P411-Q962 CarbonylContact C-O 3.58Å; P411-Q962 WeakPolarHBondContact CA-O 3.39Å; P411-Y963 HydrophobicContact CB-CD1 4.15Å; P411-Y963 HydrophobicContact CB-CE1 4.21Å; P411-Y963 HydrophobicContact CB-CG 4.32Å; P411-Y963 HydrophobicContact CG-CE1 4.35Å
412T81Confident84.1Confident3 Ų321.6 Ų21.62%0.0189%0.092CC..EExtended strand (participates in β ladder)trans-100.6149.1-179.259.80000111.4T526 P531 M961 Q962 Q964T412-T526 WeakPolarHBondContact CB-OG1 3.43Å; T412-T526 HydrophobicContact CG2-CG2 3.74Å; T412-T526 WeakPolarHBondContact CG2-OG1 3.26Å; T412-T526 PolarHBondContact OG1-OG1 3.37Å; T412-T526 VanDerWaalsContact OG1-OG1 3.07Å; T412-P531 HydrophobicContact CG2-CB 4.32Å; T412-M961 CarbonylContact O-C 3.33Å; T412-M961 VanDerWaalsContact O-CA 3.28Å; T412-M961 WeakPolarHBondContact O-CA 3.35Å; T412-Q962 PolarHBondContact N-O 2.69Å; T412-Q962 PolarHBondContact O-N 2.73Å; T412-Q962 PolarHBondContact OG1-O 3.25Å; T412-Q964 HydrophobicContact CG2-CG 4.17Å; T412-Q964 WeakPolarHBondContact OG1-CG 3.39Å; T412-Q964 PolarHBondContact OG1-NE2 2.94Å; T412-Q964 VanDerWaalsContact OG1-NE2 3.12Å
413P86.8Confident82.8Confident4 Ų426.4 Ų26.43%0.02611%0.114CC..EExtended strand (participates in β ladder)trans-67.5136.1172.532-36000110.8L524 P534 L597 I959 M961P413-L524 HydrophobicContact CB-CD1 4.02Å; P413-L524 HydrophobicContact CG-CD1 4.48Å; P413-P534 HydrophobicContact CG-CB 3.88Å; P413-P534 HydrophobicContact CG-CG 3.84Å; P413-L597 HydrophobicContact CG-CD2 4.11Å; P413-I959 HydrophobicContact CB-CG2 3.8Å; P413-M961 HydrophobicContact CB-CG 4.28Å
414E86.9Confident81Confident26 Ų2632 Ų3212%0.12114%0.14CC..EExtended strand (participates in β ladder)trans-123.7-37.5-173.7-176-162.7137.100112.2D523 L524 S960 Q962 R1000E414-D523 CarbonylContact O-C 3.52Å; E414-D523 WeakPolarHBondContact O-CA 3.45Å; E414-L524 PolarHBondContact O-N 2.81Å; E414-S960 PolarHBondContact N-O 3.33Å; E414-Q962 WeakPolarHBondContact OE2-CG 3.43Å; E414-Q962 PolarHBondContact OE2-NE2 3.15Å; E414-Q962 PolarHBondContact OE2-OE1 3.21Å; E414-R1000 VanDerWaalsContact CD-NH2 3.26Å; E414-R1000 IonicContact OE1-NH2 3.42Å; E414-R1000 IonicContact OE2-CZ 2.65Å; E414-R1000 IonicContact OE2-NH1 2.66Å; E414-R1000 IonicContact OE2-NH2 3.48Å; E414-R1000 PolarHBondContact OE2-NH2 3.03Å
415K90.8Very high79Confident60 Ų6037.3 Ų37.326%0.26117%0.168SC..EExtended strand (participates in β ladder)trans-138.2142.8-178.8-65.1179.7-179.9153.20111.4V521 L522 D523 F717 I959 S960K415-V521 HydrophobicContact CB-CG1 4.31Å; K415-L522 WeakPolarHBondContact CA-O 3.35Å; K415-D523 VanDerWaalsContact CE-OD1 3.3Å; K415-D523 WeakPolarHBondContact CE-OD1 3.22Å; K415-F717 HydrophobicContact CB-CZ 4.32Å; K415-I959 CarbonylContact O-C 3.33Å; K415-I959 WeakPolarHBondContact O-CA 3.34Å; K415-S960 PolarHBondContact N-O 2.72Å; K415-S960 PolarHBondContact O-N 3.18Å
416M90.8Very high76.6Confident1 Ų145.1 Ų45.11%0.00520%0.204CC..EExtended strand (participates in β ladder)trans-130.5115.1-177.4-170.1171.1-167.700109F418 V521 L522 L524 F536 L548 I551 L958 I959M416-F418 HydrophobicContact CG-CD1 4.26Å; M416-V521 WeakPolarHBondContact O-CA 3.34Å; M416-L522 PolarHBondContact N-O 3.31Å; M416-L522 PolarHBondContact O-N 3.01Å; M416-L524 HydrophobicContact CB-CD1 4.28Å; M416-F536 HydrophobicContact SD-CE1 4.17Å; M416-F536 HydrophobicContact SD-CZ 4.34Å; M416-L548 HydrophobicContact CE-CD2 3.62Å; M416-L548 HydrophobicContact SD-CD2 3.6Å; M416-I551 HydrophobicContact CE-CB 3.85Å; M416-I551 HydrophobicContact CE-CD1 3.71Å; M416-I551 HydrophobicContact CE-CG1 4.38Å; M416-I551 HydrophobicContact CE-CG2 3.53Å; M416-L958 CarbonylContact C-O 3.52Å; M416-L958 WeakPolarHBondContact CA-O 3.49Å; M416-I959 HydrophobicContact CE-CD1 4.31Å; M416-I959 HydrophobicContact CG-CG1 4.15Å
417F93.2Very high73.7Confident8 Ų854.1 Ų54.14%0.03525%0.246CC..EExtended strand (participates in β ladder)trans-104.8131179.6169-85000109.9F419 P519 V520 V521 L713 I714 F717 F955 G957 L958F417-F419 HydrophobicContact CE1-CD2 4.43Å; F417-F419 AromaticContact CE1-CE2 3.8Å; F417-F419 HydrophobicContact CE1-CE2 3.8Å; F417-F419 HydrophobicContact CE1-CZ 4.08Å; F417-F419 HydrophobicContact CZ-CE1 4.31Å; F417-F419 AromaticContact CZ-CE2 3.94Å; F417-F419 HydrophobicContact CZ-CE2 3.94Å; F417-F419 AromaticContact CZ-CZ 3.74Å; F417-F419 HydrophobicContact CZ-CZ 3.74Å; F417-P519 HydrophobicContact CE2-CB 3.79Å; F417-P519 HydrophobicContact CZ-CB 4.24Å; F417-V520 WeakPolarHBondContact CA-O 3.45Å; F417-V521 HydrophobicContact CB-CG2 4.4Å; F417-V521 HydrophobicContact CD2-CG2 3.96Å; F417-L713 HydrophobicContact CZ-CB 4.44Å; F417-I714 HydrophobicContact CE1-CG1 4.05Å; F417-F717 HydrophobicContact CB-CD1 4.02Å; F417-F717 HydrophobicContact CB-CD2 3.78Å; F417-F717 HydrophobicContact CB-CE1 3.96Å; F417-F717 HydrophobicContact CB-CE2 3.71Å; F417-F717 HydrophobicContact CB-CG 3.94Å; F417-F717 HydrophobicContact CB-CZ 3.81Å; F417-F717 HydrophobicContact CD2-CB 4.18Å; F417-F717 AromaticContact CD2-CD2 3.73Å; F417-F717 HydrophobicContact CD2-CD2 3.73Å; F417-F717 HydrophobicContact CD2-CE2 4.37Å; F417-F717 HydrophobicContact CD2-CG 4.01Å; F417-F717 HydrophobicContact CE2-CB 4.39Å; F417-F717 HydrophobicContact CG-CB 4.3Å; F417-F717 HydrophobicContact CG-CD1 4.34Å; F417-F717 AromaticContact CG-CD2 3.93Å; F417-F717 HydrophobicContact CG-CD2 3.93Å; F417-F717 HydrophobicContact CG-CE2 4.37Å; F417-F717 AromaticContact CG-CG 3.92Å; F417-F717 HydrophobicContact CG-CG 3.92Å; F417-F955 HydrophobicContact CD1-CE1 4.27Å; F417-F955 HydrophobicContact CD1-CZ 4.2Å; F417-F955 AromaticContact CE1-CE1 3.95Å; F417-F955 HydrophobicContact CE1-CE1 3.95Å; F417-F955 HydrophobicContact CE1-CZ 4.1Å; F417-G957 CarbonylContact O-C 3.56Å; F417-G957 WeakPolarHBondContact O-CA 3.33Å; F417-L958 HydrophobicContact CB-CB 4.27Å; F417-L958 HydrophobicContact CD1-CB 4.29Å; F417-L958 HydrophobicContact CD1-CD1 4.13Å; F417-L958 PolarHBondContact N-O 3.33Å; F417-L958 PolarHBondContact O-N 2.85Å
418F93.7Very high70.9Confident0 Ų061.8 Ų61.80%028%0.281CS..EExtended strand (participates in β ladder)trans-156.8176.3175.657.5-88.6000109.6M416 H420 V520 L522 F544 S547 L548 I551 L956M416-F418 HydrophobicContact CG-CD1 4.26Å; F418-H420 HydrophobicContact CE2-CB 4.37Å; F418-V520 HydrophobicContact CD2-CB 4.19Å; F418-V520 HydrophobicContact CE1-CB 4.43Å; F418-V520 HydrophobicContact CE1-CG1 4.12Å; F418-V520 HydrophobicContact CE2-CB 3.79Å; F418-V520 HydrophobicContact CE2-CG1 3.91Å; F418-V520 HydrophobicContact CE2-CG2 4.26Å; F418-V520 HydrophobicContact CZ-CB 3.93Å; F418-V520 HydrophobicContact CZ-CG1 3.57Å; F418-V520 PolarHBondContact N-O 3.42Å; F418-V520 PolarHBondContact O-N 3.34Å; F418-L522 HydrophobicContact CE1-CB 4.47Å; F418-L522 HydrophobicContact CE1-CD1 3.71Å; F418-L522 HydrophobicContact CE1-CG 3.76Å; F418-L522 HydrophobicContact CZ-CD1 3.79Å; F418-L522 HydrophobicContact CZ-CG 3.96Å; F418-F544 HydrophobicContact CE2-CB 3.9Å; F418-F544 HydrophobicContact CE2-CD1 4.11Å; F418-F544 HydrophobicContact CE2-CG 4.06Å; F418-F544 HydrophobicContact CZ-CB 3.76Å; F418-F544 HydrophobicContact CZ-CD1 4.34Å; F418-F544 HydrophobicContact CZ-CD2 4.27Å; F418-F544 AromaticContact CZ-CG 3.9Å; F418-F544 HydrophobicContact CZ-CG 3.9Å; F418-S547 VanDerWaalsContact CD2-CB 3.43Å; F418-L548 HydrophobicContact CD1-CD2 4.1Å; F418-L548 HydrophobicContact CE1-CD2 3.67Å; F418-L548 HydrophobicContact CE1-CG 4.46Å; F418-L548 HydrophobicContact CZ-CD2 4.08Å; F418-L548 HydrophobicContact CZ-CG 4.38Å; F418-I551 HydrophobicContact CB-CD1 4.18Å; F418-L956 WeakPolarHBondContact CB-O 3.36Å
419F92.3Very high68.3Low1 Ų169.8 Ų69.80%0.00432%0.319CS..EExtended strand (participates in β ladder)trans-106.5146.8177.1-68.8-84000111.8F417 V517 P519 S547 I697 E710 I714 F955F417-F419 HydrophobicContact CE1-CD2 4.43Å; F417-F419 AromaticContact CE1-CE2 3.8Å; F417-F419 HydrophobicContact CE1-CE2 3.8Å; F417-F419 HydrophobicContact CE1-CZ 4.08Å; F417-F419 HydrophobicContact CZ-CE1 4.31Å; F417-F419 AromaticContact CZ-CE2 3.94Å; F417-F419 HydrophobicContact CZ-CE2 3.94Å; F417-F419 AromaticContact CZ-CZ 3.74Å; F417-F419 HydrophobicContact CZ-CZ 3.74Å; F419-V517 HydrophobicContact CB-CG1 3.66Å; F419-V517 HydrophobicContact CD1-CG1 3.8Å; F419-V517 HydrophobicContact CG-CG1 4.07Å; F419-P519 HydrophobicContact CD1-CB 4.22Å; F419-P519 HydrophobicContact CE1-CB 4.01Å; F419-S547 PolarHBondContact O-OG 3.32Å; F419-I697 HydrophobicContact CB-CG2 3.57Å; F419-I697 HydrophobicContact CD2-CD1 4.46Å; F419-I697 HydrophobicContact CD2-CG2 3.47Å; F419-I697 VanDerWaalsContact CD2-CG2 3.47Å; F419-I697 HydrophobicContact CE2-CD1 4.4Å; F419-I697 HydrophobicContact CE2-CG2 4.3Å; F419-I697 HydrophobicContact CG-CG2 3.69Å; F419-E710 HydrophobicContact CE1-CB 4.2Å; F419-E710 HydrophobicContact CE1-CG 3.98Å; F419-E710 HydrophobicContact CZ-CB 3.99Å; F419-E710 HydrophobicContact CZ-CG 4.29Å; F419-I714 HydrophobicContact CE2-CD1 4.02Å; F419-I714 HydrophobicContact CE2-CG1 3.8Å; F419-I714 HydrophobicContact CZ-CD1 4.48Å; F419-I714 HydrophobicContact CZ-CG1 4.08Å; F419-F955 AromaticContact CD2-CD1 3.89Å; F419-F955 HydrophobicContact CD2-CD1 3.89Å; F419-F955 AromaticContact CD2-CE1 3.91Å; F419-F955 HydrophobicContact CD2-CE1 3.91Å; F419-F955 AromaticContact CE2-CD1 3.86Å; F419-F955 HydrophobicContact CE2-CD1 3.86Å; F419-F955 AromaticContact CE2-CE1 3.75Å; F419-F955 HydrophobicContact CE2-CE1 3.75Å
420H89.9Confident66Low24 Ų2478.7 Ų78.711%0.11136%0.359CS..EExtended strand (participates in β ladder)trans-144.7134.8178.6-165.375.3000112.3F418 A518 V520 F544 S547 D699F418-H420 HydrophobicContact CE2-CB 4.37Å; H420-A518 PolarHBondContact N-O 2.95Å; H420-A518 PolarHBondContact O-N 2.81Å; H420-V520 HydrophobicContact CB-CG2 3.72Å; H420-F544 HydrophobicContact CB-CD1 4.16Å; H420-F544 HydrophobicContact CB-CE1 4.3Å; H420-F544 AromaticContact CD2-CD1 3.69Å; H420-F544 AromaticContact CD2-CE1 3.75Å; H420-F544 AromaticContact CE1-CD1 3.99Å; H420-F544 AromaticContact CG-CD1 3.65Å; H420-F544 AromaticContact CG-CE1 3.99Å; H420-F544 AromaticContact ND1-CD1 3.85Å; H420-F544 AromaticContact NE2-CD1 3.89Å; H420-S547 PolarHBondContact ND1-OG 2.68Å; H420-D699 CarbonylContact C-O 3.49Å; H420-D699 VanDerWaalsContact CA-O 3.25Å; H420-D699 WeakPolarHBondContact CA-O 3.19Å
421R85.1Confident63.6Low68 Ų6883.2 Ų83.226%0.25739%0.392SS..EExtended strand (participates in β ladder)trans-70.2134.7176.2-153.9-170.7-163.8121.8-28.5111.4C516 D699 D702R421-C516 WeakPolarHBondContact CA-O 3.38Å; R421-C516 HydrophobicContact CG-CB 3.97Å; R421-D699 HydrophobicContact CB-CB 4.28Å; R421-D699 VanDerWaalsContact CB-OD2 3.31Å; R421-D699 WeakPolarHBondContact CB-OD2 3.29Å; R421-D699 VanDerWaalsContact CD-OD2 3.28Å; R421-D699 WeakPolarHBondContact CD-OD2 3.48Å; R421-D699 WeakPolarHBondContact CG-OD2 3.33Å; R421-D699 IonicContact CZ-OD2 3.22Å; R421-D699 PolarHBondContact N-O 2.82Å; R421-D699 IonicContact NE-OD2 3.73Å; R421-D699 IonicContact NH1-OD1 3.4Å; R421-D699 IonicContact NH1-OD2 3.62Å; R421-D699 PolarHBondContact NH1-OD2 2.9Å; R421-D702 IonicContact CZ-OD2 2.67Å; R421-D702 VanDerWaalsContact CZ-OD2 3.27Å; R421-D702 IonicContact NH1-OD2 2.68Å; R421-D702 PolarHBondContact NH1-OD2 3Å; R421-D702 IonicContact NH2-OD2 3.38Å; R421-D702 PolarHBondContact NH2-OD2 2.98Å
422R71Confident61.2Low175 Ų17593 Ų9366%0.6643%0.434SS*.  trans-71.1134.7170.7-66.3-178.6177.9172.60.6110.5H424 C516 A518R422-H424 PolarHBondContact O-N 2.95Å; R422-C516 PolarHBondContact N-O 2.95Å; R422-A518 HydrophobicContact CG-CB 4.32Å
423H58.7Low58.7Low116 Ų11696.4 Ų96.454%0.53747%0.47SS..  trans-75106171-96.5-104.9000110.3N425 R701H423-N425 PolarHBondContact ND1-OD1 3.28Å; H423-N425 PolarHBondContact O-N 3.45Å; H423-R701 PolarHBondContact CD2-NH1 3.31Å; H423-R701 VanDerWaalsContact CD2-NH1 3.31Å; H423-R701 PolarHBondContact CE1-NH2 2.94Å; H423-R701 PolarHBondContact NE2-NH1 2.98Å
424H40.4Very low55.8Low152 Ų152102.7 Ų102.770%0.70451%0.509SS*.  trans-7790.8160.7-79.3-79.6000109.3R422R422-H424 PolarHBondContact O-N 2.95Å
425N32.9Very low53Low112 Ų112107.8 Ų107.860%0.59954%0.537SS*.  trans-106.7119.3167-82.152000108.5H423H423-N425 PolarHBondContact ND1-OD1 3.28Å; H423-N425 PolarHBondContact O-N 3.45Å
426H31.8Very low50Low164 Ų164114 Ų11476%0.75956%0.563SS**  trans53.387.2168.1-54.7-71.6000118.4H428H426-H428 VanDerWaalsContact C-N 3.3Å; H426-H428 PolarHBondContact O-N 3.44Å
427H26.6Very low47Very low190 Ų190118.9 Ų118.988%0.8860%0.598SS**  trans-74.690.1137.4-96.4-62.1000108.7
428H27.5Very low43.8Very low160 Ų160127.1 Ų127.174%0.74164%0.636SS**  trans-149.7123.4155.9-106.6-79.3000108.8H426H426-H428 VanDerWaalsContact C-N 3.3Å; H426-H428 PolarHBondContact O-N 3.44Å
429Q25.3Very low40.5Very low178 Ų178132.3 Ų132.383%0.83267%0.673SS**  trans49.586.7167.7-67.8175-44.800117.5
430E24.9Very low37.3Very low197 Ų197138.3 Ų138.392%0.92171%0.709SS**  -146.9106.4122.8-127.2171.2-140.700109.4
431S24.7Very low34.2Very low106 Ų106143.2 Ų143.274%0.74174%0.741SS**  trans-125.751-171.963.10000112
432F30.8Very low31.2Very low208 Ų208150 Ų15091%0.91277%0.768SS**  trans-145.9129.6165.9-78.9-77.2000107.9
433G29.2Very low29.1Very low74 Ų74151.6 Ų151.676%0.76378%0.78SS**  cis-163.8156.2-8.600000110.3N435G433-N435 PolarHBondContact O-N 2.86Å
434T24.6Very low27.6Very low137 Ų137151.1 Ų151.184%0.8479%0.789SS**  trans-77.2121179.8390000111.8
435N28.5Very low26.9Very low132 Ų132151 Ų15171%0.70679%0.794SS**  trans-176.8117.5147.8-103.5-54.3000112.6G433G433-N435 PolarHBondContact O-N 2.86Å
436K28.2Very low26.6Very low190 Ų190152.8 Ų152.883%0.82680%0.802SS**  trans61.4148145.9-59.3169.1-171.7174.80117.5
437S28.2Very low26.3Very low104 Ų104153.8 Ų153.873%0.72781%0.805SS**  cis-162.7-176.2-11.949.60000109.7
438Q24.8Very low26.3Very low181 Ų181148.8 Ų148.885%0.84680%0.797SS**  trans-41.4157.9154.3-57.7151.7-36.100112.3
439S24.5Very low26.2Very low110 Ų110149.4 Ų149.477%0.76980%0.8SS**  cis-154.2174.116.663.60000114.8
440V24.8Very low26.3Very low126 Ų126148.4 Ų148.476%0.76480%0.795SS**  trans-34.2143.9147.7174.90000113.7
441V25.1Very low26.5Very low128 Ų128145.6 Ų145.678%0.77678%0.782SS**  trans-168.7151.7132138.40000112.7
442Y23.5Very low26.7Very low210 Ų210147.2 Ų147.282%0.82478%0.781SS**  trans-37.7161.2176.6-70.2-102.1000118.5
443K25.7Very low26.5Very low209 Ų209142.5 Ų142.591%0.90977%0.765SS**  trans-124.8104.1154-156.4170.1-167.9174.50111.2
444S26.8Very low26.6Very low105 Ų105146.8 Ų146.873%0.73477%0.765SS**  trans-87158.2165.747.10000110.6
445N26.3Very low26.7Very low150 Ų150147.4 Ų147.480%0.80276%0.759SS**  trans-84.8145-176.2-55.7-57.3000112
446L27.9Very low26.6Very low149 Ų149148 Ų14878%0.7876%0.762SS**  169.7147.1107.9-89.4158.6000113.2
447K23.7Very low26.7Very low185 Ų185144.7 Ų144.780%0.80476%0.763SS**  trans29.9117.7148-67.6-177.6178.9-169.40119.4
448A26.9Very low26.6Very low86 Ų86149 Ų14971%0.71177%0.768SS**  90.4161.787.200000111.1
449E26.2Very low26.6Very low172 Ų172145.8 Ų145.880%0.80477%0.772SS**  cis-151.7-17614.3-159.9145.9-150.900110.5
450E27.5Very low26.7Very low157 Ų157144.4 Ų144.473%0.73478%0.775SS**  trans68.7144.2166.8-54.2-169.4-172.900118.7
451H28.7Very low26.7Very low139 Ų139146.8 Ų146.864%0.64478%0.778SS**  cis-159.6142.8-17.9-111.3-37.8000111.6
452L27.8Very low26.8Very low139 Ų139146.9 Ų146.973%0.72877%0.774SS**  trans49.2150.7140.8-61.6168.7000121.1
453D27.2Very low26.8Very low109 Ų109143.3 Ų143.358%0.58377%0.769SS**  cis-155.1-177.311.9-144-55.4000113.1
454H32.1Very low26.9Very low164 Ų164139.7 Ų139.776%0.75977%0.765SS**  trans91.169157.4-76.924.6000120.9
455Q26.3Very low26.8Very low150 Ų150139.8 Ų139.870%0.70177%0.765SS**  25.4146.5120.3-53.5-168.513.200123.8
456N26.8Very low26.7Very low144 Ų144137 Ų13777%0.7776%0.763SS**  trans74150.3152.7-56.8-37.1000117.4
457S29.9Very low26.5Very low121 Ų121139.8 Ų139.885%0.84677%0.769SS**  cis-138.3-163.78.8730000113.1
458K25.3Very low26.5Very low196 Ų196138.4 Ų138.485%0.85277%0.768SS**  trans-106.5152.4-172-64.6176.9-179.4173.70113.7
459A24.7Very low26.6Very low112 Ų112146.3 Ų146.393%0.92678%0.779SS**  trans68.8134.8146.700000119.9
460G28.3Very low26.4Very low81 Ų81143.3 Ų143.384%0.83577%0.772SS**  trans-177.6137.4169.400000108.7
461Q24.9Very low26.3Very low177 Ų177144.8 Ų144.883%0.82778%0.78SS**  trans-137.8155.9-171.5-150.7-172.8-1.500110.9
462L26.1Very low26.1Very low130 Ų130147.7 Ų147.768%0.68179%0.79SS**  trans82.2124.4162.8-61.9167.3000120.1
463N23.5Very low25.8Very low135 Ų135150.4 Ų150.472%0.72280%0.799SS**  trans69.6127.3141.6-55.1-13.5000118.9
464T28Very low25.6Very low133 Ų133151.2 Ų151.282%0.81681%0.812SS**  -153147.459.827.70000117
465S25Very low25.3Very low107 Ų107148.1 Ų148.175%0.74882%0.815SS**  trans30.4111.2149.461.20000122.9
466A23.2Very low25.2Very low91 Ų91149.4 Ų149.475%0.75282%0.821SS**  46.9130.7119.400000122.5
467F25.3Very low25.3Very low207 Ų207149 Ų14991%0.90882%0.817SS**  -156.2161.4102.9-133.4-97.8000113.4
468M23Very low25Very low157 Ų157149.1 Ų149.177%0.77381%0.808SS**  trans-77157.9173.1-67.2-173.8-18000112.5
469R28.2Very low24.9Very low251 Ų251148.2 Ų148.295%0.94781%0.807SS**  trans-14193.1148.3-95.7-171.6174.7152.80.7112
470T22.8Very low25Very low109 Ų109146.4 Ų146.467%0.66980%0.799SS**  trans-74.2151.6138.542.20000109
471E25.3Very low24.9Very low189 Ų189150.6 Ų150.688%0.88380%0.797SS**  160.4155.8125.2-90.2176.2-172.300113
472K23.5Very low25Very low199 Ų199149.7 Ų149.787%0.86580%0.797SS**  trans-156.6107.9163.9-127.3-165.7-176-168.80110.1
473Q23.2Very low25.1Very low196 Ų196152 Ų15292%0.91680%0.798SS**  trans-155.8159.2147-113.8168.32.200108.9
474C23.1Very low25.1Very low127 Ų127152.5 Ų152.586%0.85879%0.794SS**  trans-135.8126.1-169.4-61.70000110.5
475A25.9Very low25Very low98 Ų98152.5 Ų152.581%0.8179%0.794SS**  trans-168.7141.216800000106.2
476E23.4Very low25Very low177 Ų177154.6 Ų154.683%0.82779%0.792SS**  cis-164.3-172.5-10.3-170.3165.2-129.600107.6
477I27.9Very low24.9Very low135 Ų135155.4 Ų155.469%0.69279%0.792SS**  trans7883.4161.2-47.7-176.3000118.1
478N23.5Very low24.9Very low124 Ų124150.5 Ų150.566%0.66378%0.784SS**  61.6118.4112.5-68.6-28.1000124.9
479Q23.4Very low25.2Very low178 Ų178150.9 Ų150.983%0.83279%0.787SS**  91.8136.9116-70.517223.900123.5
480G26.8Very low25Very low74 Ų74146.7 Ų146.776%0.76378%0.778SS**  trans106.6131.215500000115.6
481E27.6Very low25Very low169 Ų169148.4 Ų148.479%0.7978%0.783SS**  cis-145.4159.5-18.6-74.3-161.211500106.4
482L26.1Very low25.2Very low158 Ų158148.7 Ų148.783%0.82779%0.785SS**  -168.4153.469.3-163.573.2000112.3
483Y27.6Very low25.3Very low177 Ų177146 Ų14669%0.69478%0.779SS**  trans-92-177.3174.9-64.8-78.5000111.8
484K25Very low25.6Very low146 Ų146142.6 Ų142.664%0.63577%0.774SS**  cis-168153.6-16.3-117.8163.6-174.4162.30107.9
485T25.7Very low25.7Very low134 Ų134141.1 Ų141.182%0.82276%0.761SS**  169.4113.6128.334.50000107.7
486Q25Very low25.8Very low150 Ų150144 Ų14470%0.70176%0.763SS**  70.292.768.3-72.7-170.9-85.600115.8
487S21.6Very low25.9Very low108 Ų108140.5 Ų140.576%0.75576%0.756SS**  32.1131.5122.560.60000120.2
488S24.8Very low25.8Very low105 Ų105141.2 Ų141.273%0.73476%0.762SS**  trans-147.6138.2158.768.30000113.9
489I29.6Very low26.5Very low164 Ų164140.2 Ų140.284%0.84176%0.762SS**  trans73.6139.2149.9-63.6160.6000118.7
490Q22.8Very low26.6Very low163 Ų163138.7 Ų138.776%0.76276%0.76SS**  trans-104.2168.9176.9-63.1170.2-93.100111.6
491N24.2Very low26.7Very low145 Ų145144 Ų14478%0.77577%0.765SS**  trans65.9111.3154.6-58.7-15.8000118.6
492Q29.1Very low26.6Very low196 Ų196142.3 Ų142.392%0.91677%0.766SS**  -139.2138.7124.3-108.3172.321.200110.1
493L25.4Very low27Very low142 Ų142140.8 Ų140.874%0.74377%0.766SS**  trans-96.5167.4174.4-133.677.3000108.1T495L493-T495 HydrophobicContact CD2-CG2 4.03Å
494P28.9Very low26.8Very low125 Ų125135.8 Ų135.881%0.81277%0.768SS**  -144.7169.967.537.1-17.1000117.2
495T24.8Very low26.8Very low96 Ų96138.9 Ų138.959%0.58978%0.782SS**  trans-71.5158.4174.6490000114.2L493L493-T495 HydrophobicContact CD2-CG2 4.03Å
496N27.9Very low27Very low159 Ų159141.1 Ų141.185%0.8578%0.783SS**  -165.6158.9110.8-91.5-6.5000110.6
497C25.6Very low27Very low102 Ų102143.9 Ų143.969%0.68979%0.787SS**  trans-120.6146.2-169.5-50.10000112
498D25.5Very low27.2Very low151 Ų151143.2 Ų143.281%0.80778%0.782SS**  trans49.9165.8130-55.8-12.8000121.7
499P38.7Very low27.3Very low102 Ų102141.7 Ų141.766%0.66278%0.776SS**  cis-135.2166.7-5037.6-23.6000112.8
500N25.3Very low27.1Very low147 Ų147140.3 Ų140.379%0.78678%0.775SS**  161.8158.7126.3-85.5-22.9000115.4
501E28.8Very low27.3Very low186 Ų186140.6 Ų140.687%0.86977%0.774SS**  trans71.3156.2164.6-73.9177.4-158.700119.9
502T26.7Very low27.7Very low132 Ų132139 Ų13981%0.8177%0.771SS**  trans-138.2-177.1-158.962.30000109.2
503P34.7Very low27.8Very low127 Ų127138.6 Ų138.683%0.82577%0.774SS**  cis-127167-14.331.6-13.1000113.9
504G23.5Very low28.6Very low72 Ų72135 Ų13574%0.74277%0.772SS**  trans-176118.7169.100000116.2
505F25.3Very low29.7Very low210 Ų210132.6 Ų132.692%0.92176%0.758SS**  trans3.9112.8163.8-91.3-102.1000119.4
506Q29.6Very low31.7Very low181 Ų181130.8 Ų130.885%0.84675%0.749SS**  -163.3135121.2-109.5170.735.900113.1S508Q506-S508 PolarHBondContact O-N 3.35Å
507R24.2Very low34Very low208 Ų208124 Ų12479%0.78571%0.713SS**  trans-85.985.4173.5-84.2179.5165.5172.2-7.4110.5
508S25.4Very low36.9Very low94 Ų94119.7 Ų119.766%0.65769%0.685SS**  trans-110.591162.9-740000109.3Q506 V510Q506-S508 PolarHBondContact O-N 3.35Å; S508-V510 PolarHBondContact O-N 2.76Å
509A27.2Very low39.9Very low73 Ų73115.5 Ų115.560%0.60367%0.666SS**  trans-70.894.7174.300000109.7F511A509-F511 VanDerWaalsContact C-N 3.28Å; A509-F511 HydrophobicContact CB-CD2 4.42Å; A509-F511 HydrophobicContact CB-CE2 4.06Å; A509-F511 HydrophobicContact CB-CZ 4.34Å; A509-F511 VanDerWaalsContact O-CD2 3.25Å; A509-F511 WeakPolarHBondContact O-CD2 3.45Å; A509-F511 PolarHBondContact O-N 3.46Å
510V25.9Very low42.4Very low136 Ų136111.7 Ų111.782%0.82464%0.641SS**  trans-68.391.5166.1-179.90000107.3S508S508-V510 PolarHBondContact O-N 2.76Å
511F27.5Very low45.5Very low168 Ų168107.2 Ų107.274%0.73762%0.619SS**  trans-64129.5175-70.7-85.9000109.6A509 L513A509-F511 VanDerWaalsContact C-N 3.28Å; A509-F511 HydrophobicContact CB-CD2 4.42Å; A509-F511 HydrophobicContact CB-CE2 4.06Å; A509-F511 HydrophobicContact CB-CZ 4.34Å; A509-F511 VanDerWaalsContact O-CD2 3.25Å; A509-F511 WeakPolarHBondContact O-CD2 3.45Å; A509-F511 PolarHBondContact O-N 3.46Å; F511-L513 PolarHBondContact O-N 2.92Å
512P31.3Very low48.4Very low111 Ų11198.5 Ų98.572%0.72158%0.578SS**  trans-65.3136170.127.5-33.1000109.8G514P512-G514 VanDerWaalsContact C-N 3.3Å; P512-G514 PolarHBondContact O-N 3.15Å
513L32.4Very low51.5Low188 Ų18894.1 Ų94.198%0.98455%0.55SS*.  trans-65.591.7166.2-87.166.4000107.8F511F511-L513 PolarHBondContact O-N 2.92Å
514G40.8Very low54Low67 Ų6788.6 Ų88.669%0.69151%0.513SS*.  trans-125.8-8.8-157.100000118.4P512P512-G514 VanDerWaalsContact C-N 3.3Å; P512-G514 PolarHBondContact O-N 3.15Å
515S52.9Low56.9Low75 Ų7592.4 Ų92.452%0.52451%0.505SS..  trans-146.6120.9170.569.10000113.4V517S515-V517 VanDerWaalsContact C-N 3.28Å
516C66.5Low59.3Low58 Ų5883.2 Ų83.239%0.39247%0.466SS..  trans-82.4-8.5172.7-73.50000113.1R421 R422R421-C516 WeakPolarHBondContact CA-O 3.38Å; R421-C516 HydrophobicContact CG-CB 3.97Å; R422-C516 PolarHBondContact N-O 2.95Å
517V76.7Confident61.4Low15 Ų1578.3 Ų78.39%0.09145%0.445CS..EExtended strand (participates in β ladder)trans-87.8135.2-174.4-171.80000109.8F419 S515 D699 V704F419-V517 HydrophobicContact CB-CG1 3.66Å; F419-V517 HydrophobicContact CD1-CG1 3.8Å; F419-V517 HydrophobicContact CG-CG1 4.07Å; S515-V517 VanDerWaalsContact C-N 3.28Å; V517-D699 HydrophobicContact CG1-CB 4.27Å; V517-D699 HydrophobicContact CG2-CB 3.91Å; V517-V704 HydrophobicContact CG2-CB 4.32Å; V517-V704 HydrophobicContact CG2-CG1 4.06Å; V517-V704 HydrophobicContact CG2-CG2 4.1Å
518A85.2Confident63.5Low12 Ų1270.9 Ų70.910%0.09942%0.419CS..EExtended strand (participates in β ladder)trans-126.3137.9175.600000111.1H420 R422H420-A518 PolarHBondContact N-O 2.95Å; H420-A518 PolarHBondContact O-N 2.81Å; R422-A518 HydrophobicContact CG-CB 4.32Å
519P89.8Confident65.4Low63 Ų6376.1 Ų76.141%0.40943%0.426SS..EExtended strand (participates in β ladder)trans-68.6137170.330.1-35.3000110.1F417 F419 L713F417-P519 HydrophobicContact CE2-CB 3.79Å; F417-P519 HydrophobicContact CZ-CB 4.24Å; F419-P519 HydrophobicContact CD1-CB 4.22Å; F419-P519 HydrophobicContact CE1-CB 4.01Å; P519-L713 HydrophobicContact CG-CD1 4.14Å
520V90.3Very high67.4Low23 Ų2380.5 Ų80.514%0.13943%0.427CS..EExtended strand (participates in β ladder)trans-123.5133.4178.2-1800000108.7F417 F418 H420 L522 F544F417-V520 WeakPolarHBondContact CA-O 3.45Å; F418-V520 HydrophobicContact CD2-CB 4.19Å; F418-V520 HydrophobicContact CE1-CB 4.43Å; F418-V520 HydrophobicContact CE1-CG1 4.12Å; F418-V520 HydrophobicContact CE2-CB 3.79Å; F418-V520 HydrophobicContact CE2-CG1 3.91Å; F418-V520 HydrophobicContact CE2-CG2 4.26Å; F418-V520 HydrophobicContact CZ-CB 3.93Å; F418-V520 HydrophobicContact CZ-CG1 3.57Å; F418-V520 PolarHBondContact N-O 3.42Å; F418-V520 PolarHBondContact O-N 3.34Å; H420-V520 HydrophobicContact CB-CG2 3.72Å; V520-L522 HydrophobicContact CG1-CD2 4.24Å; V520-L522 HydrophobicContact CG1-CG 4.29Å; V520-F544 HydrophobicContact CG1-CD2 4.5Å; V520-F544 HydrophobicContact CG1-CE1 4.16Å; V520-F544 HydrophobicContact CG1-CE2 4.08Å; V520-F544 HydrophobicContact CG1-CZ 3.89Å; V520-F544 HydrophobicContact CG2-CE1 4Å; V520-F544 HydrophobicContact CG2-CZ 4.35Å
521V90.8Very high69.2Low53 Ų5375.5 Ų75.532%0.32140%0.397SS..EExtended strand (participates in β ladder)trans-114.9123.7166.7-1790000108.8K415 M416 F417 K538 F717K415-V521 HydrophobicContact CB-CG1 4.31Å; M416-V521 WeakPolarHBondContact O-CA 3.34Å; F417-V521 HydrophobicContact CB-CG2 4.4Å; F417-V521 HydrophobicContact CD2-CG2 3.96Å; V521-K538 PolarHBondContact O-NZ 3.24Å; V521-F717 HydrophobicContact CG1-CE2 4.46Å; V521-F717 HydrophobicContact CG2-CD2 4.38Å; V521-F717 HydrophobicContact CG2-CE2 4.08Å
522L90.8Very high71.1Confident3 Ų370.6 Ų70.62%0.01638%0.376CS..EExtended strand (participates in β ladder)trans-104.4139.6168-63.7-176.3000109.8K415 M416 F418 V520 F536 K538 W541 F544 L548K415-L522 WeakPolarHBondContact CA-O 3.35Å; M416-L522 PolarHBondContact N-O 3.31Å; M416-L522 PolarHBondContact O-N 3.01Å; F418-L522 HydrophobicContact CE1-CB 4.47Å; F418-L522 HydrophobicContact CE1-CD1 3.71Å; F418-L522 HydrophobicContact CE1-CG 3.76Å; F418-L522 HydrophobicContact CZ-CD1 3.79Å; F418-L522 HydrophobicContact CZ-CG 3.96Å; V520-L522 HydrophobicContact CG1-CD2 4.24Å; V520-L522 HydrophobicContact CG1-CG 4.29Å; L522-F536 HydrophobicContact CB-CD1 4.06Å; L522-F536 HydrophobicContact CB-CE1 4.21Å; L522-F536 HydrophobicContact CD1-CD1 3.85Å; L522-F536 HydrophobicContact CD1-CE1 3.72Å; L522-K538 HydrophobicContact CD2-CD 3.93Å; L522-W541 HydrophobicContact CD1-CB 4.23Å; L522-F544 HydrophobicContact CD1-CD2 4.12Å; L522-F544 HydrophobicContact CD2-CD2 3.98Å; L522-F544 HydrophobicContact CD2-CE2 3.89Å; L522-F544 HydrophobicContact CG-CD2 4.48Å; L522-L548 HydrophobicContact CD1-CD1 4.07Å; L522-L548 HydrophobicContact CD1-CD2 4.31Å
523D90.3Very high73.3Confident40 Ų4067.1 Ų67.121%0.21435%0.351CS..EExtended strand (participates in β ladder)trans-102.3136.7179.4-51.4-84.2000108.7E414 K415 E537 K538E414-D523 CarbonylContact O-C 3.52Å; E414-D523 WeakPolarHBondContact O-CA 3.45Å; K415-D523 VanDerWaalsContact CE-OD1 3.3Å; K415-D523 WeakPolarHBondContact CE-OD1 3.22Å; D523-E537 PolarHBondContact O-N 3.31Å; D523-K538 WeakPolarHBondContact OD2-CE 3.23Å; D523-K538 IonicContact OD2-NZ 3.7Å; D523-K538 PolarHBondContact OD2-NZ 3.48Å
524L88.1Confident75.6Confident10 Ų1058.3 Ų58.35%0.05231%0.305CS..EExtended strand (participates in β ladder)trans-120.2138.7-171.4-71.1166.4000109.7P413 E414 M416 P534 H535 F536 L600P413-L524 HydrophobicContact CB-CD1 4.02Å; P413-L524 HydrophobicContact CG-CD1 4.48Å; E414-L524 PolarHBondContact O-N 2.81Å; M416-L524 HydrophobicContact CB-CD1 4.28Å; L524-P534 HydrophobicContact CD2-CB 4.38Å; L524-H535 CarbonylContact C-O 3.5Å; L524-H535 WeakPolarHBondContact CA-O 3.3Å; L524-F536 HydrophobicContact CD2-CD1 3.43Å; L524-F536 VanDerWaalsContact CD2-CD1 3.43Å; L524-F536 HydrophobicContact CD2-CD2 4.44Å; L524-F536 HydrophobicContact CD2-CE1 3.55Å; L524-F536 HydrophobicContact CD2-CG 3.92Å; L524-F536 HydrophobicContact CD2-CZ 4.11Å; L524-F536 HydrophobicContact CG-CD1 4.3Å; L524-F536 HydrophobicContact CG-CE1 4.36Å; L524-L600 HydrophobicContact CD1-CD1 4.17Å; L524-L600 HydrophobicContact CD1-CD2 4.4Å; L524-L600 HydrophobicContact CD2-CD1 3.85Å
525R83.3Confident77.6Confident153 Ų15358.4 Ų58.458%0.57729%0.287SS*.EExtended strand (participates in β ladder)trans-126.4126.5-179.1-177.6172.5173.8166.6-3.5110.5H535R525-H535 PolarHBondContact N-O 2.88Å; R525-H535 PolarHBondContact O-N 2.8Å
526T76.9Confident79.3Confident17 Ų1755.7 Ų55.710%0.10427%0.266CS..EExtended strand (participates in β ladder)trans-102.3136.8174.936.70000111T412 P531 P534T412-T526 WeakPolarHBondContact CB-OG1 3.43Å; T412-T526 HydrophobicContact CG2-CG2 3.74Å; T412-T526 WeakPolarHBondContact CG2-OG1 3.26Å; T412-T526 PolarHBondContact OG1-OG1 3.37Å; T412-T526 VanDerWaalsContact OG1-OG1 3.07Å; T526-P531 WeakPolarHBondContact CG2-O 3.46Å; T526-P534 HydrophobicContact CG2-CB 3.76Å
527D72.7Confident80Confident77 Ų7758.8 Ų58.841%0.41228%0.275SS..EExtended strand (participates in β ladder)trans-79.9139.9170.9-77.2-34.3000110.5Y529 R530D527-Y529 PolarHBondContact O-N 3.16Å; D527-Y529 VanDerWaalsContact O-N 3.14Å; D527-R530 HydrophobicContact CB-CB 4.45Å; D527-R530 CarbonylContact O-C 3.55Å; D527-R530 VanDerWaalsContact O-C 3.23Å; D527-R530 PolarHBondContact O-N 2.97Å
528F68.2Low80Confident53 Ų5361.9 Ų61.923%0.23229%0.287CS..THydrogen-bonded Turntrans-58.4-34-176.6-173.8-98.2000112.8Q408 N966 P967 I1264Q408-F528 HydrophobicContact CG-CD2 3.78Å; Q408-F528 HydrophobicContact CG-CE2 3.54Å; Q408-F528 HydrophobicContact CG-CZ 4.47Å; Q408-F528 PolarHBondContact NE2-O 3.44Å; F528-N966 HydrophobicContact CE2-CB 3.88Å; F528-N966 HydrophobicContact CZ-CB 3.94Å; F528-P967 HydrophobicContact CD1-CG 4.49Å; F528-P967 HydrophobicContact CD2-CG 4.49Å; F528-P967 HydrophobicContact CG-CG 4.24Å; F528-I1264 HydrophobicContact CE1-CD1 4.48Å; F528-I1264 HydrophobicContact CZ-CD1 3.99Å
529Y65.8Low79Confident203 Ų20367.6 Ų67.680%0.79632%0.323SS*.THydrogen-bonded Turntrans-84.5-9.7179-57-76.5000114.2D527D527-Y529 PolarHBondContact O-N 3.16Å; D527-Y529 VanDerWaalsContact O-N 3.14Å
530R68.6Low78.5Confident165 Ų16573.5 Ų73.562%0.62334%0.337SS*.EExtended strand (participates in β ladder)trans-139.962.1-179.6-67.9-174.6174.7-178.9-2.3110.8D527 F532 L533D527-R530 HydrophobicContact CB-CB 4.45Å; D527-R530 CarbonylContact O-C 3.55Å; D527-R530 VanDerWaalsContact O-C 3.23Å; D527-R530 PolarHBondContact O-N 2.97Å; R530-F532 PolarHBondContact O-N 3.46Å; R530-L533 HydrophobicContact CB-CB 4.49Å; R530-L533 PolarHBondContact O-N 3.48Å; R530-L533 VanDerWaalsContact O-N 3.07Å
531P64.7Low78.3Confident32 Ų3275.1 Ų75.121%0.20834%0.341CS..EExtended strand (participates in β ladder)trans-57.7-25.3-176.221.4-32.7000114.2T412 T526 L533T412-P531 HydrophobicContact CG2-CB 4.32Å; T526-P531 WeakPolarHBondContact CG2-O 3.46Å; P531-L533 VanDerWaalsContact C-N 3.35Å
532F67.7Low77.9Confident64 Ų6476.7 Ų76.728%0.28135%0.347SS..EExtended strand (participates in β ladder)trans-78.3-13.3-178.6-49.3-68.7000114.3L410 R530 P534 G599 Y1267L410-F532 HydrophobicContact CD1-CE1 3.81Å; L410-F532 HydrophobicContact CD1-CZ 4.46Å; R530-F532 PolarHBondContact O-N 3.46Å; F532-P534 WeakPolarHBondContact O-CD 3.35Å; F532-G599 VanDerWaalsContact O-CA 3.29Å; F532-G599 WeakPolarHBondContact O-CA 3.21Å; F532-Y1267 WeakPolarHBondContact CZ-O 3.42Å
533L76.2Confident77.7Confident39 Ų3984.4 Ų84.420%0.20438%0.376CS..EExtended strand (participates in β ladder)trans-116.683.3-174.8-169.466.5000111.4R530 P531 H535R530-L533 HydrophobicContact CB-CB 4.49Å; R530-L533 PolarHBondContact O-N 3.48Å; R530-L533 VanDerWaalsContact O-N 3.07Å; P531-L533 VanDerWaalsContact C-N 3.35Å; L533-H535 PolarHBondContact O-CE1 2.71Å; L533-H535 PolarHBondContact O-ND1 3.46Å
534P81Confident77.6Confident2 Ų283.4 Ų83.41%0.01337%0.37CS..EExtended strand (participates in β ladder)trans-77.4130.4177.631.8-35.1000111.8P413 L524 T526 F532 L600 Q603P413-P534 HydrophobicContact CG-CB 3.88Å; P413-P534 HydrophobicContact CG-CG 3.84Å; L524-P534 HydrophobicContact CD2-CB 4.38Å; T526-P534 HydrophobicContact CG2-CB 3.76Å; F532-P534 WeakPolarHBondContact O-CD 3.35Å; P534-L600 HydrophobicContact CG-CB 3.72Å; P534-L600 HydrophobicContact CG-CD1 3.89Å; P534-L600 HydrophobicContact CG-CG 4.32Å; P534-Q603 VanDerWaalsContact O-CG 3.3Å; P534-Q603 WeakPolarHBondContact O-CG 3.42Å; P534-Q603 PolarHBondContact O-OE1 3.25Å
535H83.9Confident77.6Confident69 Ų6985.5 Ų85.532%0.31938%0.381SS..EExtended strand (participates in β ladder)trans-101.7138.8179.6-63.566.5000110.6L524 R525 L533 Q603L524-H535 CarbonylContact C-O 3.5Å; L524-H535 WeakPolarHBondContact CA-O 3.3Å; R525-H535 PolarHBondContact N-O 2.88Å; R525-H535 PolarHBondContact O-N 2.8Å; L533-H535 PolarHBondContact O-CE1 2.71Å; L533-H535 PolarHBondContact O-ND1 3.46Å; H535-Q603 PolarHBondContact CD2-NE2 3.32Å
536F87.2Confident77.8Confident19 Ų1980.5 Ų80.58%0.08337%0.369CS..EExtended strand (participates in β ladder)trans-73129.9172.2-66.9-78.6000111M416 L522 L524 W541 L548 L600 Q603 I604M416-F536 HydrophobicContact SD-CE1 4.17Å; M416-F536 HydrophobicContact SD-CZ 4.34Å; L522-F536 HydrophobicContact CB-CD1 4.06Å; L522-F536 HydrophobicContact CB-CE1 4.21Å; L522-F536 HydrophobicContact CD1-CD1 3.85Å; L522-F536 HydrophobicContact CD1-CE1 3.72Å; L524-F536 HydrophobicContact CD2-CD1 3.43Å; L524-F536 VanDerWaalsContact CD2-CD1 3.43Å; L524-F536 HydrophobicContact CD2-CD2 4.44Å; L524-F536 HydrophobicContact CD2-CE1 3.55Å; L524-F536 HydrophobicContact CD2-CG 3.92Å; L524-F536 HydrophobicContact CD2-CZ 4.11Å; L524-F536 HydrophobicContact CG-CD1 4.3Å; L524-F536 HydrophobicContact CG-CE1 4.36Å; F536-W541 HydrophobicContact CB-CB 3.96Å; F536-W541 HydrophobicContact CB-CD2 4.21Å; F536-W541 HydrophobicContact CB-CG 3.62Å; F536-W541 HydrophobicContact CD1-CB 4.43Å; F536-W541 HydrophobicContact CD2-CB 4.45Å; F536-W541 AromaticContact CD2-CD2 3.43Å; F536-W541 HydrophobicContact CD2-CD2 3.43Å; F536-W541 VanDerWaalsContact CD2-CD2 3.43Å; F536-W541 AromaticContact CD2-CE2 3.71Å; F536-W541 AromaticContact CD2-CE3 3.69Å; F536-W541 HydrophobicContact CD2-CE3 3.69Å; F536-W541 AromaticContact CD2-CG 3.78Å; F536-W541 HydrophobicContact CD2-CG 3.78Å; F536-W541 HydrophobicContact CD2-CH2 4.45Å; F536-W541 HydrophobicContact CD2-CZ2 4.22Å; F536-W541 HydrophobicContact CD2-CZ3 4.19Å; F536-W541 AromaticContact CE2-CD2 3.95Å; F536-W541 HydrophobicContact CE2-CD2 3.95Å; F536-W541 AromaticContact CE2-CE3 3.68Å; F536-W541 HydrophobicContact CE2-CE3 3.68Å; F536-W541 HydrophobicContact CE2-CH2 4.38Å; F536-W541 AromaticContact CE2-CZ3 3.92Å; F536-W541 HydrophobicContact CE2-CZ3 3.92Å; F536-W541 HydrophobicContact CG-CB 4.06Å; F536-W541 AromaticContact CG-CD2 3.94Å; F536-W541 HydrophobicContact CG-CD2 3.94Å; F536-W541 HydrophobicContact CG-CE3 4.39Å; F536-W541 AromaticContact CG-CG 3.75Å; F536-W541 HydrophobicContact CG-CG 3.75Å; F536-W541 HydrophobicContact CZ-CE3 4.37Å; F536-L548 HydrophobicContact CE1-CD1 4.47Å; F536-L548 HydrophobicContact CZ-CD1 4.05Å; F536-L548 HydrophobicContact CZ-CD2 4.41Å; F536-L600 HydrophobicContact CE2-CD1 4.38Å; F536-L600 HydrophobicContact CZ-CD1 4.02Å; F536-Q603 HydrophobicContact CD2-CG 4.06Å; F536-Q603 HydrophobicContact CE2-CG 4.19Å; F536-I604 HydrophobicContact CE2-CG1 4.06Å; F536-I604 HydrophobicContact CZ-CG1 4.11Å
537E82Confident78.4Confident122 Ų12279.7 Ų79.757%0.5737%0.365SS*.SBendtrans-78.1-22-176.9-170.8165.4-12700113.5D523D523-E537 PolarHBondContact O-N 3.31Å
538K76.9Confident79.2Confident80 Ų8076 Ų7635%0.34835%0.345SS..SBendtrans-87.3122.3-175.6-69.2169.6-172.6167.90110.8V521 L522 D523 R540 W541V521-K538 PolarHBondContact O-NZ 3.24Å; L522-K538 HydrophobicContact CD2-CD 3.93Å; D523-K538 WeakPolarHBondContact OD2-CE 3.23Å; D523-K538 IonicContact OD2-NZ 3.7Å; D523-K538 PolarHBondContact OD2-NZ 3.48Å; K538-R540 PolarHBondContact O-N 3.43Å; K538-W541 PolarHBondContact O-N 2.85Å
539P63.8Low80.4Confident132 Ų13279.1 Ų79.186%0.85736%0.358SS*.THydrogen-bonded Turntrans-73.411.1-168.930.4-37.9000115.8
540R79.3Confident81.6Confident188 Ų18871.1 Ų71.171%0.70933%0.331SS*.THydrogen-bonded Turntrans-145.757.2172.9-65.9-172.3-176.5165.61.1110.1K538 D542 R543K538-R540 PolarHBondContact O-N 3.43Å; R540-D542 WeakPolarHBondContact CA-OD1 3.41Å; R540-R543 WeakPolarHBondContact O-CD 3.41Å; R540-R543 WeakPolarHBondContact O-CG 3.3Å; R540-R543 PolarHBondContact O-NE 2.87Å; R540-R543 VanDerWaalsContact O-NE 3.07Å
541W85.3Confident82.6Confident56 Ų5663.3 Ų63.321%0.21230%0.302CS..  trans-82.7-25.4174.667.2-95000111.9L522 F536 K538 R543 F544 L545 L548 Q603L522-W541 HydrophobicContact CD1-CB 4.23Å; F536-W541 HydrophobicContact CB-CB 3.96Å; F536-W541 HydrophobicContact CB-CD2 4.21Å; F536-W541 HydrophobicContact CB-CG 3.62Å; F536-W541 HydrophobicContact CD1-CB 4.43Å; F536-W541 HydrophobicContact CD2-CB 4.45Å; F536-W541 AromaticContact CD2-CD2 3.43Å; F536-W541 HydrophobicContact CD2-CD2 3.43Å; F536-W541 VanDerWaalsContact CD2-CD2 3.43Å; F536-W541 AromaticContact CD2-CE2 3.71Å; F536-W541 AromaticContact CD2-CE3 3.69Å; F536-W541 HydrophobicContact CD2-CE3 3.69Å; F536-W541 AromaticContact CD2-CG 3.78Å; F536-W541 HydrophobicContact CD2-CG 3.78Å; F536-W541 HydrophobicContact CD2-CH2 4.45Å; F536-W541 HydrophobicContact CD2-CZ2 4.22Å; F536-W541 HydrophobicContact CD2-CZ3 4.19Å; F536-W541 AromaticContact CE2-CD2 3.95Å; F536-W541 HydrophobicContact CE2-CD2 3.95Å; F536-W541 AromaticContact CE2-CE3 3.68Å; F536-W541 HydrophobicContact CE2-CE3 3.68Å; F536-W541 HydrophobicContact CE2-CH2 4.38Å; F536-W541 AromaticContact CE2-CZ3 3.92Å; F536-W541 HydrophobicContact CE2-CZ3 3.92Å; F536-W541 HydrophobicContact CG-CB 4.06Å; F536-W541 AromaticContact CG-CD2 3.94Å; F536-W541 HydrophobicContact CG-CD2 3.94Å; F536-W541 HydrophobicContact CG-CE3 4.39Å; F536-W541 AromaticContact CG-CG 3.75Å; F536-W541 HydrophobicContact CG-CG 3.75Å; F536-W541 HydrophobicContact CZ-CE3 4.37Å; K538-W541 PolarHBondContact O-N 2.85Å; W541-R543 VanDerWaalsContact C-N 3.26Å; W541-R543 PolarHBondContact O-N 2.83Å; W541-F544 WeakPolarHBondContact O-CB 3.26Å; W541-F544 PolarHBondContact O-N 2.77Å; W541-L545 HydrophobicContact CH2-CD2 4.27Å; W541-L545 HydrophobicContact CZ3-CD2 3.75Å; W541-L545 HydrophobicContact CZ3-CG 4.16Å; W541-L548 HydrophobicContact CE3-CD1 3.8Å; W541-L548 HydrophobicContact CZ3-CD1 4.21Å; W541-Q603 WeakPolarHBondContact CH2-O 3.09Å
542D83.6Confident83.8Confident87 Ų8761.8 Ų61.847%0.46529%0.292SS..G310 helixtrans-48.8-39.1175.665-44.8000113.8R540 F544 L545R540-D542 WeakPolarHBondContact CA-OD1 3.41Å; D542-F544 PolarHBondContact O-N 3.47Å; D542-L545 HydrophobicContact CB-CD1 4.36Å; D542-L545 WeakPolarHBondContact O-CB 3.45Å; D542-L545 WeakPolarHBondContact O-CD1 3.44Å; D542-L545 WeakPolarHBondContact O-CG 3.34Å; D542-L545 PolarHBondContact O-N 2.72Å
543R85.8Confident84.9Confident165 Ų16560.5 Ų60.562%0.62329%0.288SS*.G310 helixtrans-58-19.7175.271-171.4171.5158.61.8114.2R540 W541R540-R543 WeakPolarHBondContact O-CD 3.41Å; R540-R543 WeakPolarHBondContact O-CG 3.3Å; R540-R543 PolarHBondContact O-NE 2.87Å; R540-R543 VanDerWaalsContact O-NE 3.07Å; W541-R543 VanDerWaalsContact C-N 3.26Å; W541-R543 PolarHBondContact O-N 2.83Å
544F87.8Confident85.5Confident18 Ų1858.7 Ų58.78%0.07928%0.278CS..G310 helixtrans-95.96.3177.4-55.2-62.3000113.3F418 H420 V520 L522 W541 D542 S546 S547 L548F418-F544 HydrophobicContact CE2-CB 3.9Å; F418-F544 HydrophobicContact CE2-CD1 4.11Å; F418-F544 HydrophobicContact CE2-CG 4.06Å; F418-F544 HydrophobicContact CZ-CB 3.76Å; F418-F544 HydrophobicContact CZ-CD1 4.34Å; F418-F544 HydrophobicContact CZ-CD2 4.27Å; F418-F544 AromaticContact CZ-CG 3.9Å; F418-F544 HydrophobicContact CZ-CG 3.9Å; H420-F544 HydrophobicContact CB-CD1 4.16Å; H420-F544 HydrophobicContact CB-CE1 4.3Å; H420-F544 AromaticContact CD2-CD1 3.69Å; H420-F544 AromaticContact CD2-CE1 3.75Å; H420-F544 AromaticContact CE1-CD1 3.99Å; H420-F544 AromaticContact CG-CD1 3.65Å; H420-F544 AromaticContact CG-CE1 3.99Å; H420-F544 AromaticContact ND1-CD1 3.85Å; H420-F544 AromaticContact NE2-CD1 3.89Å; V520-F544 HydrophobicContact CG1-CD2 4.5Å; V520-F544 HydrophobicContact CG1-CE1 4.16Å; V520-F544 HydrophobicContact CG1-CE2 4.08Å; V520-F544 HydrophobicContact CG1-CZ 3.89Å; V520-F544 HydrophobicContact CG2-CE1 4Å; V520-F544 HydrophobicContact CG2-CZ 4.35Å; L522-F544 HydrophobicContact CD1-CD2 4.12Å; L522-F544 HydrophobicContact CD2-CD2 3.98Å; L522-F544 HydrophobicContact CD2-CE2 3.89Å; L522-F544 HydrophobicContact CG-CD2 4.48Å; W541-F544 WeakPolarHBondContact O-CB 3.26Å; W541-F544 PolarHBondContact O-N 2.77Å; D542-F544 PolarHBondContact O-N 3.47Å; F544-S546 PolarHBondContact O-N 2.99Å; F544-S547 PolarHBondContact O-N 3.44Å; F544-L548 HydrophobicContact CB-CD1 4.11Å; F544-L548 HydrophobicContact CB-CG 4.3Å; F544-L548 WeakPolarHBondContact O-CG 3.28Å; F544-L548 PolarHBondContact O-N 3.49Å
545L88.5Confident85.9Confident54 Ų5458.6 Ų58.628%0.28328%0.278SS..Hα-helixtrans-51.6-32.1-177.2-87.6166.3000114W541 D542 L548 K549 I604W541-L545 HydrophobicContact CH2-CD2 4.27Å; W541-L545 HydrophobicContact CZ3-CD2 3.75Å; W541-L545 HydrophobicContact CZ3-CG 4.16Å; D542-L545 HydrophobicContact CB-CD1 4.36Å; D542-L545 WeakPolarHBondContact O-CB 3.45Å; D542-L545 WeakPolarHBondContact O-CD1 3.44Å; D542-L545 WeakPolarHBondContact O-CG 3.34Å; D542-L545 PolarHBondContact O-N 2.72Å; L545-L548 PolarHBondContact O-N 3.18Å; L545-K549 WeakPolarHBondContact O-CB 3.38Å; L545-K549 VanDerWaalsContact O-CG 3.24Å; L545-K549 WeakPolarHBondContact O-CG 3.26Å; L545-K549 PolarHBondContact O-N 3.34Å; L545-I604 HydrophobicContact CD2-CG2 4.2Å; L545-I604 VanDerWaalsContact CD2-O 3.25Å; L545-I604 WeakPolarHBondContact CD2-O 3.47Å
546S87.1Confident86Confident48 Ų4855.3 Ų55.334%0.33626%0.262SS..Hα-helixtrans-72.9-31.9177.762.20000113.6F544 P550 W698 G700F544-S546 PolarHBondContact O-N 2.99Å; S546-P550 WeakPolarHBondContact O-CD 3.38Å; S546-W698 PolarHBondContact O-NE1 3.37Å; S546-G700 WeakPolarHBondContact CB-O 3.3Å; S546-G700 PolarHBondContact OG-O 2.78Å
547S89.6Confident86Confident1 Ų154.4 Ų54.41%0.00726%0.259CS..Hα-helixtrans-75.3-34.7168.4-60.20000111.9F418 F419 H420 F544 G700F418-S547 VanDerWaalsContact CD2-CB 3.43Å; F419-S547 PolarHBondContact O-OG 3.32Å; H420-S547 PolarHBondContact ND1-OG 2.68Å; F544-S547 PolarHBondContact O-N 3.44Å; S547-G700 VanDerWaalsContact OG-CA 3.31Å; S547-G700 WeakPolarHBondContact OG-CA 3.47Å
548L90.9Very high86.1Confident0 Ų048.6 Ų48.60%023%0.231CC..Hα-helixtrans-79.2-33.4-174.8-67.6172.2000114.1M416 F418 L522 F536 W541 F544 L545 I551 G552 I604M416-L548 HydrophobicContact CE-CD2 3.62Å; M416-L548 HydrophobicContact SD-CD2 3.6Å; F418-L548 HydrophobicContact CD1-CD2 4.1Å; F418-L548 HydrophobicContact CE1-CD2 3.67Å; F418-L548 HydrophobicContact CE1-CG 4.46Å; F418-L548 HydrophobicContact CZ-CD2 4.08Å; F418-L548 HydrophobicContact CZ-CG 4.38Å; L522-L548 HydrophobicContact CD1-CD1 4.07Å; L522-L548 HydrophobicContact CD1-CD2 4.31Å; F536-L548 HydrophobicContact CE1-CD1 4.47Å; F536-L548 HydrophobicContact CZ-CD1 4.05Å; F536-L548 HydrophobicContact CZ-CD2 4.41Å; W541-L548 HydrophobicContact CE3-CD1 3.8Å; W541-L548 HydrophobicContact CZ3-CD1 4.21Å; F544-L548 HydrophobicContact CB-CD1 4.11Å; F544-L548 HydrophobicContact CB-CG 4.3Å; F544-L548 WeakPolarHBondContact O-CG 3.28Å; F544-L548 PolarHBondContact O-N 3.49Å; L545-L548 PolarHBondContact O-N 3.18Å; L548-I551 PolarHBondContact O-N 2.89Å; L548-G552 PolarHBondContact O-N 3.09Å; L548-I604 HydrophobicContact CB-CD1 4.32Å; L548-I604 HydrophobicContact CB-CG1 4.38Å; L548-I604 HydrophobicContact CB-CG2 4.21Å
549K92.4Very high86.3Confident117 Ų11745.2 Ų45.251%0.50922%0.217SC..Hα-helixtrans-56.8-47.6-176.4-87.8174.8178.4-173.30114.1L545 I551 G552 L553 I604 F606L545-K549 WeakPolarHBondContact O-CB 3.38Å; L545-K549 VanDerWaalsContact O-CG 3.24Å; L545-K549 WeakPolarHBondContact O-CG 3.26Å; L545-K549 PolarHBondContact O-N 3.34Å; K549-I551 VanDerWaalsContact C-N 3.27Å; K549-I551 PolarHBondContact O-N 3.4Å; K549-G552 PolarHBondContact O-N 3.3Å; K549-L553 PolarHBondContact O-N 2.97Å; K549-I604 HydrophobicContact CG-CG2 4.36Å; K549-F606 HydrophobicContact CB-CZ 4.42Å; K549-F606 HydrophobicContact CG-CE2 4.37Å; K549-F606 HydrophobicContact CG-CZ 4.38Å; K549-F606 WeakPolarHBondContact O-CZ 3.46Å
550P90.6Very high87Confident35 Ų3539.2 Ų39.223%0.22718%0.179CC..Hα-helixtrans-59.3-36.4176.7-27.537.3000113.5S546 L553 S554 L956S546-P550 WeakPolarHBondContact O-CD 3.38Å; P550-L553 PolarHBondContact O-N 3.32Å; P550-S554 WeakPolarHBondContact O-CB 3.45Å; P550-S554 PolarHBondContact O-N 3.3Å; P550-L956 HydrophobicContact CB-CD1 3.93Å; P550-L956 HydrophobicContact CB-CD2 3.93Å
551I91.1Very high87.1Confident1 Ų131.8 Ų31.81%0.00515%0.152CC..Hα-helixtrans-70.7-42.6177.9-53.1164.1000110.2M416 F418 L548 K549 L553 S554 I555 F730 L956M416-I551 HydrophobicContact CE-CB 3.85Å; M416-I551 HydrophobicContact CE-CD1 3.71Å; M416-I551 HydrophobicContact CE-CG1 4.38Å; M416-I551 HydrophobicContact CE-CG2 3.53Å; F418-I551 HydrophobicContact CB-CD1 4.18Å; L548-I551 PolarHBondContact O-N 2.89Å; K549-I551 VanDerWaalsContact C-N 3.27Å; K549-I551 PolarHBondContact O-N 3.4Å; I551-L553 VanDerWaalsContact C-N 3.35Å; I551-L553 PolarHBondContact O-N 2.73Å; I551-S554 PolarHBondContact O-N 3.01Å; I551-I555 HydrophobicContact CG2-CD1 4.1Å; I551-I555 WeakPolarHBondContact O-CB 3.4Å; I551-I555 VanDerWaalsContact O-CG1 3.29Å; I551-I555 WeakPolarHBondContact O-CG1 3.44Å; I551-I555 PolarHBondContact O-N 3.45Å; I551-F730 HydrophobicContact CG2-CB 4.49Å; I551-F730 HydrophobicContact CG2-CD2 3.93Å; I551-F730 HydrophobicContact CG2-CE2 4.4Å; I551-F730 HydrophobicContact CG2-CG 4.13Å; I551-L956 HydrophobicContact CD1-CB 4.46Å; I551-L956 HydrophobicContact CG1-CB 3.74Å
552G89.8Confident86.4Confident0 Ų033 Ų330%017%0.168CC..Hα-helixtrans-60.6-40.2173.600000113.2L548 K549 I555 L556L548-G552 PolarHBondContact O-N 3.09Å; K549-G552 PolarHBondContact O-N 3.3Å; G552-I555 PolarHBondContact O-N 2.88Å; G552-L556 WeakPolarHBondContact O-CG 3.37Å; G552-L556 PolarHBondContact O-N 3.49Å
553L89.7Confident85.8Confident38 Ų3830.4 Ų30.420%0.19916%0.159CC..Hα-helixtrans-67.1-46.7174.9-17762.5000111.6K549 P550 I551 I555 L556 L557 F606 F614K549-L553 PolarHBondContact O-N 2.97Å; P550-L553 PolarHBondContact O-N 3.32Å; I551-L553 VanDerWaalsContact C-N 3.35Å; I551-L553 PolarHBondContact O-N 2.73Å; L553-I555 VanDerWaalsContact C-N 3.27Å; L553-I555 PolarHBondContact O-N 3.37Å; L553-L556 PolarHBondContact O-N 2.99Å; L553-L556 VanDerWaalsContact O-N 3.13Å; L553-L557 HydrophobicContact CD1-CD1 3.81Å; L553-L557 HydrophobicContact CD1-CG 3.96Å; L553-L557 HydrophobicContact CD2-CD1 4.44Å; L553-L557 HydrophobicContact CG-CD1 3.85Å; L553-L557 HydrophobicContact CG-CG 4.31Å; L553-L557 WeakPolarHBondContact O-CB 3.38Å; L553-L557 WeakPolarHBondContact O-CG 3.39Å; L553-L557 PolarHBondContact O-N 2.96Å; L553-F606 HydrophobicContact CB-CE1 4.18Å; L553-F606 HydrophobicContact CB-CZ 3.92Å; L553-F606 HydrophobicContact CD1-CE1 4.24Å; L553-F614 HydrophobicContact CD1-CE2 3.97Å; L553-F614 HydrophobicContact CD1-CZ 4.25Å; L553-F614 HydrophobicContact CD2-CZ 4.22Å
554S89.6Confident85.4Confident0 Ų022.6 Ų22.60%013%0.13CC..Hα-helixtrans-57.7-41.1175-172.20000111.7P550 I551 L557 N558P550-S554 WeakPolarHBondContact O-CB 3.45Å; P550-S554 PolarHBondContact O-N 3.3Å; I551-S554 PolarHBondContact O-N 3.01Å; S554-L557 PolarHBondContact O-N 3.48Å; S554-N558 WeakPolarHBondContact O-CB 3.5Å; S554-N558 PolarHBondContact O-N 2.94Å
555I88.2Confident84.6Confident0 Ų022.7 Ų22.70%013%0.134CC..Hα-helixtrans-59.2-47.9173.7-78.7167.8000111.8I551 G552 L553 N559 L597 L600 A601 F730 I959I551-I555 HydrophobicContact CG2-CD1 4.1Å; I551-I555 WeakPolarHBondContact O-CB 3.4Å; I551-I555 VanDerWaalsContact O-CG1 3.29Å; I551-I555 WeakPolarHBondContact O-CG1 3.44Å; I551-I555 PolarHBondContact O-N 3.45Å; G552-I555 PolarHBondContact O-N 2.88Å; L553-I555 VanDerWaalsContact C-N 3.27Å; L553-I555 PolarHBondContact O-N 3.37Å; I555-N559 WeakPolarHBondContact O-CB 3.34Å; I555-N559 PolarHBondContact O-N 2.95Å; I555-N559 VanDerWaalsContact O-N 3.11Å; I555-N559 PolarHBondContact O-ND2 3.46Å; I555-L597 HydrophobicContact CD1-CB 4.28Å; I555-L597 HydrophobicContact CD1-CD1 4.32Å; I555-L597 HydrophobicContact CG1-CB 4.49Å; I555-L597 HydrophobicContact CG2-CB 3.65Å; I555-L597 WeakPolarHBondContact CG2-O 3.45Å; I555-L600 HydrophobicContact CD1-CD2 4.04Å; I555-A601 HydrophobicContact CG2-CB 4.35Å; I555-F730 HydrophobicContact CD1-CZ 4.35Å; I555-F730 HydrophobicContact CG1-CE1 3.82Å; I555-F730 HydrophobicContact CG1-CZ 3.86Å; I555-I959 HydrophobicContact CD1-CD1 3.87Å
556L87Confident83.6Confident0 Ų028 Ų280%016%0.155CC..Hα-helixtrans-65.7-46.2179.1-72.8173.8000111.7G552 L553 C560 H561 A601 F606 A610 V611 F1272G552-L556 WeakPolarHBondContact O-CG 3.37Å; G552-L556 PolarHBondContact O-N 3.49Å; L553-L556 PolarHBondContact O-N 2.99Å; L553-L556 VanDerWaalsContact O-N 3.13Å; L556-C560 VanDerWaalsContact O-CA 3.3Å; L556-C560 WeakPolarHBondContact O-CA 3.33Å; L556-C560 WeakPolarHBondContact O-CB 3.4Å; L556-C560 PolarHBondContact O-N 2.93Å; L556-H561 PolarHBondContact O-N 3.41Å; L556-A601 HydrophobicContact CD1-CB 3.88Å; L556-A601 HydrophobicContact CD2-CB 3.82Å; L556-A601 HydrophobicContact CG-CB 3.57Å; L556-F606 HydrophobicContact CD1-CB 3.62Å; L556-F606 HydrophobicContact CD1-CD1 3.8Å; L556-F606 HydrophobicContact CD1-CD2 4.4Å; L556-F606 HydrophobicContact CD1-CG 3.69Å; L556-A610 HydrophobicContact CD1-CB 4.37Å; L556-V611 HydrophobicContact CB-CG2 4Å; L556-F1272 HydrophobicContact CD1-CD1 4.34Å; L556-F1272 HydrophobicContact CD1-CE1 4.23Å; L556-F1272 HydrophobicContact CD2-CB 4.14Å; L556-F1272 HydrophobicContact CD2-CD1 3.75Å; L556-F1272 HydrophobicContact CD2-CD2 3.82Å; L556-F1272 HydrophobicContact CD2-CE1 4.03Å; L556-F1272 HydrophobicContact CD2-CE2 4.13Å; L556-F1272 HydrophobicContact CD2-CG 3.64Å; L556-F1272 HydrophobicContact CD2-CZ 4.23Å
557L86.9Confident82.9Confident0 Ų026.5 Ų26.50%014%0.143CC..Hα-helixtrans-70.7-48.4-174.8-72.5-175.2000112.5L553 S554 H561 V611 F614 F670 L682L553-L557 HydrophobicContact CD1-CD1 3.81Å; L553-L557 HydrophobicContact CD1-CG 3.96Å; L553-L557 HydrophobicContact CD2-CD1 4.44Å; L553-L557 HydrophobicContact CG-CD1 3.85Å; L553-L557 HydrophobicContact CG-CG 4.31Å; L553-L557 WeakPolarHBondContact O-CB 3.38Å; L553-L557 WeakPolarHBondContact O-CG 3.39Å; L553-L557 PolarHBondContact O-N 2.96Å; S554-L557 PolarHBondContact O-N 3.48Å; L557-H561 VanDerWaalsContact O-CB 3.25Å; L557-H561 WeakPolarHBondContact O-CB 3.47Å; L557-V611 HydrophobicContact CD2-CG1 4.28Å; L557-F614 HydrophobicContact CD1-CD1 4.28Å; L557-F614 HydrophobicContact CD1-CD2 4.09Å; L557-F614 HydrophobicContact CD1-CE2 4.34Å; L557-F614 HydrophobicContact CD1-CG 4.06Å; L557-F614 HydrophobicContact CD2-CB 4.07Å; L557-F614 HydrophobicContact CD2-CD2 3.81Å; L557-F614 HydrophobicContact CD2-CG 4.08Å; L557-F670 HydrophobicContact CB-CD2 4.48Å; L557-F670 HydrophobicContact CB-CE1 4.25Å; L557-F670 HydrophobicContact CB-CE2 3.66Å; L557-F670 HydrophobicContact CB-CZ 3.51Å; L557-F670 HydrophobicContact CD1-CD2 4.28Å; L557-F670 HydrophobicContact CD1-CE2 4.26Å; L557-F670 HydrophobicContact CD1-CG 4.42Å; L557-F670 HydrophobicContact CD1-CZ 4.36Å; L557-F670 HydrophobicContact CD2-CD1 4.41Å; L557-F670 HydrophobicContact CD2-CE1 3.85Å; L557-F670 HydrophobicContact CD2-CZ 4Å; L557-F670 HydrophobicContact CG-CE1 4.42Å; L557-F670 HydrophobicContact CG-CE2 4.4Å; L557-F670 HydrophobicContact CG-CZ 4.15Å; L557-L682 HydrophobicContact CB-CD1 3.95Å; L557-L682 HydrophobicContact CD1-CD1 3.51Å; L557-L682 HydrophobicContact CG-CD1 4.36Å
558N84.7Confident82.2Confident0 Ų026.6 Ų26.60%014%0.143CC..Hα-helixtrans-71.7-33.1178-84.7-41.3000113.7S554 R568 S668 L682S554-N558 WeakPolarHBondContact O-CB 3.5Å; S554-N558 PolarHBondContact O-N 2.94Å; N558-R568 WeakPolarHBondContact O-CD 2.93Å; N558-R568 PolarHBondContact O-NE 2.96Å; N558-S668 WeakPolarHBondContact OD1-CB 3.31Å; N558-S668 PolarHBondContact OD1-OG 3.12Å; N558-L682 PolarHBondContact ND2-O 3.33Å
559N80.1Confident81.2Confident9 Ų928.2 Ų28.25%0.04815%0.151CC..Hα-helixtrans-104.3-22.3-172.1-52.6-80.6000115I555 R568 C596I555-N559 WeakPolarHBondContact O-CB 3.34Å; I555-N559 PolarHBondContact O-N 2.95Å; I555-N559 VanDerWaalsContact O-N 3.11Å; I555-N559 PolarHBondContact O-ND2 3.46Å; N559-R568 PolarHBondContact OD1-NE 2.8Å; N559-R568 PolarHBondContact OD1-NH1 3.14Å; N559-C596 HydrophobicContact CB-CB 4.48Å
560C78.9Confident80.1Confident7 Ų723.8 Ų23.85%0.04714%0.139CC..Hα-helixtrans-113.6-21-173.8-46.60000114L556 S562 C596 F1272L556-C560 VanDerWaalsContact O-CA 3.3Å; L556-C560 WeakPolarHBondContact O-CA 3.33Å; L556-C560 WeakPolarHBondContact O-CB 3.4Å; L556-C560 PolarHBondContact O-N 2.93Å; C560-S562 PolarHBondContact O-N 2.82Å; C560-C596 VanDerWaalsContact SG-CB 3.57Å; C560-F1272 HydrophobicContact CB-CB 4.43Å
561H80.9Confident79.4Confident31 Ų3122.1 Ų22.114%0.14413%0.128CC..SBendtrans-67.4124.2176.9-170.3-84.1000110.9L556 L557 A563 I564 A565 V611 T616 F670L556-H561 PolarHBondContact O-N 3.41Å; L557-H561 VanDerWaalsContact O-CB 3.25Å; L557-H561 WeakPolarHBondContact O-CB 3.47Å; H561-A563 VanDerWaalsContact C-N 3.35Å; H561-A563 PolarHBondContact O-N 2.91Å; H561-I564 PolarHBondContact O-N 3.15Å; H561-I564 VanDerWaalsContact O-N 3.15Å; H561-A565 WeakPolarHBondContact O-CB 3.2Å; H561-A565 PolarHBondContact O-N 2.93Å; H561-V611 HydrophobicContact CB-CG1 4.06Å; H561-T616 WeakPolarHBondContact CE1-CG2 3.33Å; H561-T616 WeakPolarHBondContact ND1-CG2 3.37Å; H561-F670 HydrophobicContact CB-CE1 4.45Å; H561-F670 HydrophobicContact CB-CZ 4.43Å
562S71.7Confident78.5Confident81 Ų8122.4 Ų22.457%0.56613%0.129SC*.Hα-helixtrans-65-29.6-162.858.60000115.4C560C560-S562 PolarHBondContact O-N 2.82Å
563A71.1Confident77.4Confident33 Ų3324.4 Ų24.427%0.27314%0.138SC..Hα-helixtrans-71.4-49.2173.400000111.8H561H561-A563 VanDerWaalsContact C-N 3.35Å; H561-A563 PolarHBondContact O-N 2.91Å
564I76.8Confident76.5Confident1 Ų124 Ų241%0.00514%0.137CC..Hα-helixtrans-76.8-35.2-170.9-69.6168.4000111.4H561 K566 Q567 R568 T616 F666 F670H561-I564 PolarHBondContact O-N 3.15Å; H561-I564 VanDerWaalsContact O-N 3.15Å; I564-K566 PolarHBondContact O-N 2.75Å; I564-Q567 PolarHBondContact O-N 3.42Å; I564-R568 VanDerWaalsContact O-CB 3.3Å; I564-R568 WeakPolarHBondContact O-CB 3.45Å; I564-R568 PolarHBondContact O-N 2.89Å; I564-T616 HydrophobicContact CD1-CG2 3.36Å; I564-T616 HydrophobicContact CG1-CG2 4.01Å; I564-F666 HydrophobicContact CG2-CE1 3.8Å; I564-F666 HydrophobicContact CG2-CZ 3.92Å; I564-F670 HydrophobicContact CD1-CE1 3.67Å; I564-F670 HydrophobicContact CD1-CE2 3.71Å; I564-F670 HydrophobicContact CD1-CZ 3.16Å
565A71.7Confident75.7Confident21 Ų2124.1 Ų24.117%0.17414%0.137CC..Hα-helixtrans-55.3-36.9178.100000112.4H561 I569H561-A565 WeakPolarHBondContact O-CB 3.2Å; H561-A565 PolarHBondContact O-N 2.93Å; A565-I569 WeakPolarHBondContact O-CD1 3.41Å; A565-I569 VanDerWaalsContact O-CG1 3.27Å; A565-I569 WeakPolarHBondContact O-CG1 3.43Å; A565-I569 PolarHBondContact O-N 3.43Å
566K67.3Low74.8Confident166 Ų16624.6 Ų24.672%0.72214%0.14SC*.Hα-helixtrans-68.4-46.8174.3-65.7-179.6179.7179.70112.3I564 I569 G570I564-K566 PolarHBondContact O-N 2.75Å; K566-I569 PolarHBondContact O-N 3.37Å; K566-G570 PolarHBondContact O-N 3.14Å; K566-G570 VanDerWaalsContact O-N 3.11Å
567Q71.7Confident73.8Confident15 Ų1525.2 Ų25.27%0.0714%0.144CC..Hα-helixtrans-62.9-44.2-179.1-70172.7-50.400111.7I564 I569 G570 F571 C619 P753 S754 D755 I756I564-Q567 PolarHBondContact O-N 3.42Å; Q567-I569 VanDerWaalsContact C-N 3.35Å; Q567-I569 PolarHBondContact O-N 3.23Å; Q567-G570 PolarHBondContact O-N 2.69Å; Q567-G570 VanDerWaalsContact O-N 3.16Å; Q567-F571 PolarHBondContact O-N 3.11Å; Q567-C619 PolarHBondContact OE1-SG 3.28Å; Q567-P753 PolarHBondContact NE2-O 3.12Å; Q567-S754 PolarHBondContact NE2-O 3.27Å; Q567-D755 PolarHBondContact NE2-O 2.91Å; Q567-I756 HydrophobicContact CB-CD1 3.62Å; Q567-I756 HydrophobicContact CB-CG1 3.93Å; Q567-I756 HydrophobicContact CG-CD1 3.99Å; Q567-I756 HydrophobicContact CG-CG1 3.92Å; Q567-I756 WeakPolarHBondContact O-CD1 3.14Å
568R75.6Confident72.9Confident4 Ų425.4 Ų25.42%0.01515%0.146CC..Hα-helixtrans-58.1-43.6176.4-171.2179.86580.211.3112.1N558 N559 I564 F572 L593 F666N558-R568 WeakPolarHBondContact O-CD 2.93Å; N558-R568 PolarHBondContact O-NE 2.96Å; N559-R568 PolarHBondContact OD1-NE 2.8Å; N559-R568 PolarHBondContact OD1-NH1 3.14Å; I564-R568 VanDerWaalsContact O-CB 3.3Å; I564-R568 WeakPolarHBondContact O-CB 3.45Å; I564-R568 PolarHBondContact O-N 2.89Å; R568-F572 HydrophobicContact CG-CD2 3.82Å; R568-F572 HydrophobicContact CG-CE2 3.52Å; R568-F572 WeakPolarHBondContact O-CB 3.28Å; R568-F572 WeakPolarHBondContact O-CD2 3.49Å; R568-F572 WeakPolarHBondContact O-CG 3.46Å; R568-F572 PolarHBondContact O-N 3.26Å; R568-F572 VanDerWaalsContact O-N 3.14Å; R568-L593 VanDerWaalsContact CZ-O 3.27Å; R568-L593 PolarHBondContact NH1-O 2.88Å; R568-L593 PolarHBondContact NH2-O 2.69Å; R568-F666 HydrophobicContact CB-CD1 4.31Å; R568-F666 HydrophobicContact CB-CE1 3.81Å; R568-F666 HydrophobicContact CB-CE2 4.05Å; R568-F666 HydrophobicContact CB-CZ 3.66Å; R568-F666 HydrophobicContact CG-CD1 3.91Å; R568-F666 HydrophobicContact CG-CD2 4.48Å; R568-F666 HydrophobicContact CG-CE1 3.89Å; R568-F666 HydrophobicContact CG-CE2 4.46Å; R568-F666 HydrophobicContact CG-CG 4.21Å; R568-F666 HydrophobicContact CG-CZ 4.18Å
569I70.4Confident72.2Confident34 Ų3426.3 Ų26.317%0.17415%0.15CC..Hα-helixtrans-61.8-47.2174.4-69.4164.8000110.5A565 K566 Q567 F571 F572 E573A565-I569 WeakPolarHBondContact O-CD1 3.41Å; A565-I569 VanDerWaalsContact O-CG1 3.27Å; A565-I569 WeakPolarHBondContact O-CG1 3.43Å; A565-I569 PolarHBondContact O-N 3.43Å; K566-I569 PolarHBondContact O-N 3.37Å; Q567-I569 VanDerWaalsContact C-N 3.35Å; Q567-I569 PolarHBondContact O-N 3.23Å; I569-F571 PolarHBondContact O-N 2.98Å; I569-F572 PolarHBondContact O-N 3.37Å; I569-F572 VanDerWaalsContact O-N 3.16Å; I569-E573 HydrophobicContact CG2-CG 4.34Å; I569-E573 WeakPolarHBondContact O-CG 3.26Å; I569-E573 PolarHBondContact O-N 3.23Å
570G68.5Low71.4Confident24 Ų2427.7 Ų27.725%0.24716%0.155CC..Hα-helixtrans-60.5-44.1179.100000113.9K566 Q567 F572 E573 I574K566-G570 PolarHBondContact O-N 3.14Å; K566-G570 VanDerWaalsContact O-N 3.11Å; Q567-G570 PolarHBondContact O-N 2.69Å; Q567-G570 VanDerWaalsContact O-N 3.16Å; G570-F572 VanDerWaalsContact C-N 3.31Å; G570-F572 PolarHBondContact O-N 3.35Å; G570-E573 PolarHBondContact O-N 3.41Å; G570-I574 PolarHBondContact O-N 3.23Å
571F74.9Confident70.7Confident0 Ų032 Ų320%017%0.172CC..Hα-helixtrans-55.8-47172.5168.9-105.2000111.7Q567 I569 I574 V575 F666 M758Q567-F571 PolarHBondContact O-N 3.11Å; I569-F571 PolarHBondContact O-N 2.98Å; F571-I574 PolarHBondContact O-N 3.33Å; F571-V575 HydrophobicContact CD1-CG2 4.48Å; F571-V575 HydrophobicContact CE1-CG2 3.96Å; F571-V575 HydrophobicContact CE2-CG2 4.12Å; F571-V575 HydrophobicContact CZ-CG2 3.77Å; F571-V575 PolarHBondContact O-N 3.46Å; F571-V575 VanDerWaalsContact O-N 3.08Å; F571-F666 HydrophobicContact CB-CD2 3.96Å; F571-F666 HydrophobicContact CB-CE2 4.31Å; F571-F666 HydrophobicContact CD1-CB 3.87Å; F571-F666 AromaticContact CD1-CD2 3.8Å; F571-F666 HydrophobicContact CD1-CD2 3.8Å; F571-F666 HydrophobicContact CD1-CG 4.26Å; F571-F666 HydrophobicContact CE1-CB 3.85Å; F571-F666 AromaticContact CG-CD2 3.9Å; F571-F666 HydrophobicContact CG-CD2 3.9Å; F571-M758 HydrophobicContact CD2-CG 4.25Å; F571-M758 HydrophobicContact CD2-SD 3.72Å; F571-M758 HydrophobicContact CE2-SD 4.29Å
572F74Confident69.7Low7 Ų734 Ų343%0.03118%0.18CC..Hα-helixtrans-71.9-30-176.3-79.7-46.6000114.6R568 I569 G570 I574 V575 N576 P592 Y664 F666R568-F572 HydrophobicContact CG-CD2 3.82Å; R568-F572 HydrophobicContact CG-CE2 3.52Å; R568-F572 WeakPolarHBondContact O-CB 3.28Å; R568-F572 WeakPolarHBondContact O-CD2 3.49Å; R568-F572 WeakPolarHBondContact O-CG 3.46Å; R568-F572 PolarHBondContact O-N 3.26Å; R568-F572 VanDerWaalsContact O-N 3.14Å; I569-F572 PolarHBondContact O-N 3.37Å; I569-F572 VanDerWaalsContact O-N 3.16Å; G570-F572 VanDerWaalsContact C-N 3.31Å; G570-F572 PolarHBondContact O-N 3.35Å; F572-I574 VanDerWaalsContact C-N 3.27Å; F572-I574 PolarHBondContact O-N 3.49Å; F572-V575 PolarHBondContact O-N 2.81Å; F572-N576 PolarHBondContact O-N 3.41Å; F572-P592 HydrophobicContact CB-CB 4.13Å; F572-P592 HydrophobicContact CB-CG 3.4Å; F572-P592 VanDerWaalsContact CB-CG 3.4Å; F572-P592 HydrophobicContact CD1-CB 3.36Å; F572-P592 HydrophobicContact CD1-CG 3.51Å; F572-P592 HydrophobicContact CD2-CB 3.65Å; F572-P592 HydrophobicContact CD2-CG 3.86Å; F572-P592 HydrophobicContact CE1-CB 3.56Å; F572-P592 HydrophobicContact CE1-CG 4.24Å; F572-P592 HydrophobicContact CE2-CB 3.82Å; F572-P592 HydrophobicContact CG-CB 3.44Å; F572-P592 VanDerWaalsContact CG-CB 3.44Å; F572-P592 HydrophobicContact CG-CG 3.31Å; F572-P592 HydrophobicContact CZ-CB 3.8Å; F572-Y664 AromaticContact CE1-CD2 3.64Å; F572-Y664 HydrophobicContact CE1-CD2 3.64Å; F572-Y664 AromaticContact CE1-CE2 3.51Å; F572-Y664 HydrophobicContact CE1-CE2 3.51Å; F572-Y664 HydrophobicContact CE1-CG 4.26Å; F572-Y664 AromaticContact CE1-CZ 3.99Å; F572-Y664 HydrophobicContact CZ-CD2 4.32Å; F572-Y664 HydrophobicContact CZ-CE2 4.01Å; F572-F666 HydrophobicContact CZ-CB 4.36Å
573E66.4Low69.1Low41 Ų4132.4 Ų32.419%0.19217%0.165CC..Hα-helixtrans-62.8-36.6172.1-72.2172.1143.600111.1K165 I569 G570 N576 A577K165-E573 VanDerWaalsContact CD-CD 3.47Å; K165-E573 VanDerWaalsContact CD-OE1 3.31Å; K165-E573 WeakPolarHBondContact CD-OE1 3.34Å; K165-E573 WeakPolarHBondContact CD-OE2 3.48Å; K165-E573 IonicContact NZ-OE1 3.36Å; K165-E573 PolarHBondContact NZ-OE1 2.96Å; K165-E573 IonicContact NZ-OE2 2.72Å; K165-E573 PolarHBondContact NZ-OE2 2.91Å; I569-E573 HydrophobicContact CG2-CG 4.34Å; I569-E573 WeakPolarHBondContact O-CG 3.26Å; I569-E573 PolarHBondContact O-N 3.23Å; G570-E573 PolarHBondContact O-N 3.41Å; E573-N576 PolarHBondContact O-N 3.38Å; E573-A577 WeakPolarHBondContact O-CB 3.29Å; E573-A577 PolarHBondContact O-N 2.96Å
574I70.2Confident68Low31 Ų3136.4 Ų36.416%0.15919%0.191CC..Hα-helixtrans-76.8-32177.2-54.3166.8000111.8G570 F571 F572 A577 T578 M758G570-I574 PolarHBondContact O-N 3.23Å; F571-I574 PolarHBondContact O-N 3.33Å; F572-I574 VanDerWaalsContact C-N 3.27Å; F572-I574 PolarHBondContact O-N 3.49Å; I574-A577 PolarHBondContact O-N 2.92Å; I574-T578 HydrophobicContact CG2-CG2 4.45Å; I574-T578 WeakPolarHBondContact O-CG2 3.27Å; I574-T578 PolarHBondContact O-N 2.9Å; I574-T578 PolarHBondContact O-OG1 3Å; I574-M758 HydrophobicContact CB-CE 4.26Å; I574-M758 HydrophobicContact CD1-CE 3.58Å; I574-M758 HydrophobicContact CD1-SD 4.16Å; I574-M758 HydrophobicContact CG2-CE 3.89Å
575V72.6Confident66.6Low2 Ų239.3 Ų39.31%0.01221%0.211CC..Hα-helixtrans-60.3-46.7167.9158.70000111.5F571 F572 A577 T578 Q579 A590 L662 Y664F571-V575 HydrophobicContact CD1-CG2 4.48Å; F571-V575 HydrophobicContact CE1-CG2 3.96Å; F571-V575 HydrophobicContact CE2-CG2 4.12Å; F571-V575 HydrophobicContact CZ-CG2 3.77Å; F571-V575 PolarHBondContact O-N 3.46Å; F571-V575 VanDerWaalsContact O-N 3.08Å; F572-V575 PolarHBondContact O-N 2.81Å; V575-A577 VanDerWaalsContact C-N 3.34Å; V575-A577 PolarHBondContact O-N 3.42Å; V575-T578 PolarHBondContact O-OG1 3.45Å; V575-T578 VanDerWaalsContact O-OG1 3.11Å; V575-Q579 WeakPolarHBondContact O-CB 3.46Å; V575-Q579 PolarHBondContact O-N 3.4Å; V575-A590 HydrophobicContact CG1-CB 3.89Å; V575-L662 HydrophobicContact CB-CD2 4.23Å; V575-L662 HydrophobicContact CG1-CD2 3.99Å; V575-L662 HydrophobicContact CG2-CD2 4.15Å; V575-Y664 HydrophobicContact CG1-CD1 3.9Å; V575-Y664 HydrophobicContact CG1-CE1 4.43Å
576N69.8Low65.4Low10 Ų1039.3 Ų39.35%0.05321%0.21CC..Hα-helixtrans-64.9-37.7174.4-84.66000112E133 F572 E573 K580 A590E133-N576 PolarHBondContact OE2-ND2 3.44Å; F572-N576 PolarHBondContact O-N 3.41Å; E573-N576 PolarHBondContact O-N 3.38Å; N576-K580 WeakPolarHBondContact O-CG 3.4Å; N576-K580 PolarHBondContact O-N 3.45Å; N576-K580 VanDerWaalsContact O-N 3.07Å; N576-A590 WeakPolarHBondContact OD1-CB 3.43Å; N576-A590 PolarHBondContact OD1-N 3.38Å
577A66.2Low64.4Low12 Ų1235 Ų3510%0.09920%0.2CC..Hα-helixtrans-62.5-46.8177.300000113P166 E573 I574 V575 K580 Y581P166-A577 HydrophobicContact CB-CB 3.73Å; P166-A577 WeakPolarHBondContact O-CB 3.36Å; E573-A577 WeakPolarHBondContact O-CB 3.29Å; E573-A577 PolarHBondContact O-N 2.96Å; I574-A577 PolarHBondContact O-N 2.92Å; V575-A577 VanDerWaalsContact C-N 3.34Å; V575-A577 PolarHBondContact O-N 3.42Å; A577-K580 PolarHBondContact O-N 3.48Å; A577-Y581 PolarHBondContact O-N 3.04Å; A577-Y581 VanDerWaalsContact O-N 3.08Å
578T68.1Low63.2Low5 Ų536.5 Ų36.53%0.03121%0.21CC..Hα-helixtrans-68.8-38.9178.547.80000111.8Y194 I574 V575 K580 Y581 F582 L662Y194-T578 HydrophobicContact CE1-CG2 3.95Å; I574-T578 HydrophobicContact CG2-CG2 4.45Å; I574-T578 WeakPolarHBondContact O-CG2 3.27Å; I574-T578 PolarHBondContact O-N 2.9Å; I574-T578 PolarHBondContact O-OG1 3Å; V575-T578 PolarHBondContact O-OG1 3.45Å; V575-T578 VanDerWaalsContact O-OG1 3.11Å; T578-K580 PolarHBondContact O-N 2.95Å; T578-Y581 WeakPolarHBondContact O-CB 3.42Å; T578-Y581 PolarHBondContact O-N 3.13Å; T578-F582 WeakPolarHBondContact O-CD2 3.46Å; T578-F582 PolarHBondContact O-N 2.93Å; T578-L662 VanDerWaalsContact OG1-CD2 3.3Å; T578-L662 WeakPolarHBondContact OG1-CD2 3.19Å
579Q69.2Low61.9Low19 Ų1937.3 Ų37.39%0.08922%0.216CC..Hα-helixtrans-58.7-44.8172.7-176.765.357.400112.2V575 Y581 F582 D583 I660 L662V575-Q579 WeakPolarHBondContact O-CB 3.46Å; V575-Q579 PolarHBondContact O-N 3.4Å; Q579-Y581 VanDerWaalsContact C-N 3.32Å; Q579-Y581 PolarHBondContact O-N 3.07Å; Q579-F582 PolarHBondContact O-N 3.1Å; Q579-D583 PolarHBondContact O-N 2.78Å; Q579-D583 VanDerWaalsContact O-N 3.13Å; Q579-I660 PolarHBondContact NE2-O 3.01Å; Q579-L662 VanDerWaalsContact OE1-CB 3.26Å
580K63Low61Low37 Ų3736.7 Ų36.716%0.16122%0.216CC..Hα-helixtrans-65.4-31176.4-76.5-178.5-179.1-174.80114.1E133 G167 V188 N576 A577 T578 D583 S584E133-K580 WeakPolarHBondContact OE1-CE 3.13Å; E133-K580 IonicContact OE1-NZ 2.83Å; E133-K580 PolarHBondContact OE1-NZ 3.07Å; G167-K580 VanDerWaalsContact O-CD 3.27Å; G167-K580 WeakPolarHBondContact O-CD 3.48Å; G167-K580 PolarHBondContact O-NZ 2.97Å; V188-K580 HydrophobicContact CG1-CD 4.37Å; N576-K580 WeakPolarHBondContact O-CG 3.4Å; N576-K580 PolarHBondContact O-N 3.45Å; N576-K580 VanDerWaalsContact O-N 3.07Å; A577-K580 PolarHBondContact O-N 3.48Å; T578-K580 PolarHBondContact O-N 2.95Å; K580-D583 CarbonylContact O-C 3.57Å; K580-S584 WeakPolarHBondContact O-CA 3.39Å; K580-S584 PolarHBondContact O-N 2.66Å
581Y63.6Low60.3Low99 Ų9936 Ų3639%0.38821%0.206SC..Hα-helixtrans-65.8-39.9175176.7-97.8000111.4V190 Y194 A577 T578 Q579V190-Y581 HydrophobicContact CG1-CD2 3.68Å; V190-Y581 HydrophobicContact CG1-CE2 4.06Å; V190-Y581 HydrophobicContact CG2-CD2 4.33Å; Y194-Y581 PolarHBondContact O-OH 2.81Å; A577-Y581 PolarHBondContact O-N 3.04Å; A577-Y581 VanDerWaalsContact O-N 3.08Å; T578-Y581 WeakPolarHBondContact O-CB 3.42Å; T578-Y581 PolarHBondContact O-N 3.13Å; Q579-Y581 VanDerWaalsContact C-N 3.32Å; Q579-Y581 PolarHBondContact O-N 3.07Å
582F60.7Low59.2Low71 Ų7136.4 Ų36.431%0.31121%0.209SC..Hα-helixtrans-80.3-32.4-178.2-69.5-61.5000114.9T578 Q579 I625 I660T578-F582 WeakPolarHBondContact O-CD2 3.46Å; T578-F582 PolarHBondContact O-N 2.93Å; Q579-F582 PolarHBondContact O-N 3.1Å; F582-I625 HydrophobicContact CD2-CD1 4.49Å; F582-I625 HydrophobicContact CE1-CD1 4.24Å; F582-I625 HydrophobicContact CE2-CD1 3.62Å; F582-I625 HydrophobicContact CE2-CG1 4.37Å; F582-I625 HydrophobicContact CZ-CD1 3.48Å; F582-I625 VanDerWaalsContact CZ-CD1 3.48Å; F582-I660 HydrophobicContact CB-CB 4.45Å; F582-I660 HydrophobicContact CB-CD1 4.03Å; F582-I660 HydrophobicContact CB-CG2 4.11Å; F582-I660 HydrophobicContact CD1-CD1 4.4Å; F582-I660 HydrophobicContact CG-CD1 4.45Å; F582-I660 HydrophobicContact CG-CG2 4.37Å
583D59.5Low58.5Low48 Ų4836.2 Ų36.226%0.25721%0.208SC..  trans-133.789.7165.8-173.30.4000111.2Q579 K580 S585 S586 K1014Q579-D583 PolarHBondContact O-N 2.78Å; Q579-D583 VanDerWaalsContact O-N 3.13Å; K580-D583 CarbonylContact O-C 3.57Å; D583-S585 PolarHBondContact O-N 3.19Å; D583-S585 VanDerWaalsContact O-N 3.12Å; D583-S585 VanDerWaalsContact OD1-CA 3.28Å; D583-S585 WeakPolarHBondContact OD1-CA 3.47Å; D583-S585 WeakPolarHBondContact OD1-CB 3.35Å; D583-S585 PolarHBondContact OD1-N 3.08Å; D583-S585 PolarHBondContact OD1-OG 2.87Å; D583-S586 WeakPolarHBondContact O-CB 3.48Å; D583-S586 PolarHBondContact O-N 2.89Å; D583-S586 PolarHBondContact O-OG 3.39Å; D583-S586 PolarHBondContact OD1-N 2.74Å; D583-K1014 IonicContact OD2-NZ 3.47Å
584S48.2Very low57.9Low118 Ų11835.3 Ų35.383%0.82521%0.206SC*.THydrogen-bonded Turntrans-64.5-9174.159.90000114.1K580K580-S584 WeakPolarHBondContact O-CA 3.39Å; K580-S584 PolarHBondContact O-N 2.66Å
585S46.2Very low57.6Low61 Ų6134.8 Ų34.843%0.42720%0.202SC..THydrogen-bonded Turntrans-102.810.2172.875.80000113.1D583 K1014D583-S585 PolarHBondContact O-N 3.19Å; D583-S585 VanDerWaalsContact O-N 3.12Å; D583-S585 VanDerWaalsContact OD1-CA 3.28Å; D583-S585 WeakPolarHBondContact OD1-CA 3.47Å; D583-S585 WeakPolarHBondContact OD1-CB 3.35Å; D583-S585 PolarHBondContact OD1-N 3.08Å; D583-S585 PolarHBondContact OD1-OG 2.87Å; S585-K1014 PolarHBondContact O-NZ 3.42Å; S585-K1014 WeakPolarHBondContact OG-CE 3.35Å; S585-K1014 PolarHBondContact OG-NZ 2.67Å
586S47.3Very low57.4Low22 Ų2235.5 Ų35.515%0.15421%0.207CC..  trans-99.8123.9171.972.50000111D583 T588D583-S586 WeakPolarHBondContact O-CB 3.48Å; D583-S586 PolarHBondContact O-N 2.89Å; D583-S586 PolarHBondContact O-OG 3.39Å; D583-S586 PolarHBondContact OD1-N 2.74Å; S586-T588 VanDerWaalsContact C-N 3.28Å
587C45.4Very low57.9Low75 Ų7535.3 Ų35.351%0.50721%0.206SC..  trans-90.87.1167.7-630000112.2T589 R988C587-T589 PolarHBondContact O-N 3.33Å; C587-R988 HydrophobicContact CB-CB 4.18Å; C587-R988 WeakPolarHBondContact CB-O 3.45Å
588T46.5Very low58.6Low46 Ų4634.9 Ų34.928%0.28220%0.202SC..  trans-84.796.7179.8490000110.7S586 N990S586-T588 VanDerWaalsContact C-N 3.28Å; T588-N990 HydrophobicContact CG2-CB 4.35Å
589T50Low59.2Low22 Ų2234.7 Ų34.714%0.13520%0.202CC..  trans-67.9151.6168.554.30000110.9E133 C587 L591E133-T589 HydrophobicContact CB-CG2 3.96Å; E133-T589 VanDerWaalsContact CD-CG2 3.42Å; E133-T589 HydrophobicContact CG-CG2 4.34Å; E133-T589 WeakPolarHBondContact OE1-CG2 3.33Å; E133-T589 WeakPolarHBondContact OE2-CG2 3.4Å; C587-T589 PolarHBondContact O-N 3.33Å; T589-L591 PolarHBondContact O-N 2.97Å; T589-L591 WeakPolarHBondContact OG1-CD1 3.38Å
590A51.3Low60.1Low21 Ų2133.8 Ų33.817%0.17420%0.197CC..  trans-8245.2177.800000111.2V575 N576 P592 Y664V575-A590 HydrophobicContact CG1-CB 3.89Å; N576-A590 WeakPolarHBondContact OD1-CB 3.43Å; N576-A590 PolarHBondContact OD1-N 3.38Å; A590-P592 WeakPolarHBondContact O-CB 3.39Å; A590-P592 WeakPolarHBondContact O-CD 3.28Å; A590-P592 WeakPolarHBondContact O-CG 3.38Å; A590-P592 VanDerWaalsContact O-N 3.16Å; A590-Y664 HydrophobicContact CB-CE1 4.13Å
591L52.9Low61.2Low8 Ų832 Ų324%0.04219%0.19CC..  trans-42.1103.4-155.1-159.596.8000115.5M134 P411 T589 Y726M134-L591 HydrophobicContact CE-CD1 4.17Å; M134-L591 HydrophobicContact CE-CD2 4.07Å; M134-L591 HydrophobicContact CE-CG 4.09Å; M134-L591 HydrophobicContact CG-CD1 3.74Å; M134-L591 HydrophobicContact SD-CD1 4.09Å; M134-L591 HydrophobicContact SD-CG 4.34Å; P411-L591 HydrophobicContact CG-CD2 3.51Å; T589-L591 PolarHBondContact O-N 2.97Å; T589-L591 WeakPolarHBondContact OG1-CD1 3.38Å; L591-Y726 HydrophobicContact CB-CD1 3.44Å; L591-Y726 VanDerWaalsContact CB-CD1 3.44Å; L591-Y726 HydrophobicContact CB-CE1 3.2Å; L591-Y726 HydrophobicContact CB-CE2 4.48Å; L591-Y726 HydrophobicContact CB-CG 4.15Å; L591-Y726 HydrophobicContact CD2-CD1 4.3Å; L591-Y726 HydrophobicContact CD2-CD2 4.05Å; L591-Y726 HydrophobicContact CD2-CE1 4.11Å; L591-Y726 HydrophobicContact CD2-CE2 3.87Å; L591-Y726 HydrophobicContact CD2-CG 4.25Å; L591-Y726 HydrophobicContact CG-CE1 4.2Å
592P53.2Low62.3Low9 Ų929.6 Ų29.66%0.05819%0.187CC..  trans-120.379.2-165.740.1-29.4000113.7F572 A590 T594F572-P592 HydrophobicContact CB-CB 4.13Å; F572-P592 HydrophobicContact CB-CG 3.4Å; F572-P592 VanDerWaalsContact CB-CG 3.4Å; F572-P592 HydrophobicContact CD1-CB 3.36Å; F572-P592 HydrophobicContact CD1-CG 3.51Å; F572-P592 HydrophobicContact CD2-CB 3.65Å; F572-P592 HydrophobicContact CD2-CG 3.86Å; F572-P592 HydrophobicContact CE1-CB 3.56Å; F572-P592 HydrophobicContact CE1-CG 4.24Å; F572-P592 HydrophobicContact CE2-CB 3.82Å; F572-P592 HydrophobicContact CG-CB 3.44Å; F572-P592 VanDerWaalsContact CG-CB 3.44Å; F572-P592 HydrophobicContact CG-CG 3.31Å; F572-P592 HydrophobicContact CZ-CB 3.8Å; A590-P592 WeakPolarHBondContact O-CB 3.39Å; A590-P592 WeakPolarHBondContact O-CD 3.28Å; A590-P592 WeakPolarHBondContact O-CG 3.38Å; A590-P592 VanDerWaalsContact O-N 3.16Å; P592-T594 PolarHBondContact O-N 3.03Å
593L58.1Low63.4Low3 Ų328.2 Ų28.22%0.01618%0.182CC..  trans40.566164.1-74.5175.1000116.2R568 F595 L597 I728 M961R568-L593 VanDerWaalsContact CZ-O 3.27Å; R568-L593 PolarHBondContact NH1-O 2.88Å; R568-L593 PolarHBondContact NH2-O 2.69Å; L593-F595 HydrophobicContact CD2-CD2 4.24Å; L593-F595 HydrophobicContact CD2-CE1 4.16Å; L593-F595 HydrophobicContact CD2-CE2 3.76Å; L593-F595 HydrophobicContact CD2-CZ 3.73Å; L593-F595 PolarHBondContact O-N 3.38Å; L593-L597 HydrophobicContact CD1-CD1 3.8Å; L593-L597 HydrophobicContact CD1-CG 4.15Å; L593-L597 HydrophobicContact CD2-CD1 4.04Å; L593-L597 HydrophobicContact CD2-CD2 3.96Å; L593-L597 HydrophobicContact CD2-CG 3.73Å; L593-I728 HydrophobicContact CD1-CD1 3.64Å; L593-I728 HydrophobicContact CG-CD1 3.65Å; L593-M961 HydrophobicContact CD2-CE 3.68Å; L593-M961 HydrophobicContact CD2-SD 3.76Å; L593-M961 HydrophobicContact CG-SD 4.26Å
594T54.8Low64.7Low23 Ų2326.1 Ų26.114%0.14117%0.17CC..SBendtrans-64.6-12.1167.651.40000113.4G129 M134 P592G129-T594 WeakPolarHBondContact O-CB 3.48Å; G129-T594 WeakPolarHBondContact O-CG2 3.43Å; M134-T594 VanDerWaalsContact CE-OG1 3.31Å; M134-T594 WeakPolarHBondContact CE-OG1 3.35Å; M134-T594 HydrophobicContact SD-CG2 3.4Å; M134-T594 WeakPolarHBondContact SD-CG2 3.32Å; M134-T594 PolarHBondContact SD-OG1 3.15Å; P592-T594 PolarHBondContact O-N 3.03Å
595F63.1Low66.5Low19 Ų1923.2 Ų23.28%0.08316%0.159CC..SBendtrans-117.7155.7-179.357.3-82.2000111M134 L410 P411 L593 L597 M961M134-F595 HydrophobicContact CE-CD1 4.15Å; M134-F595 HydrophobicContact CE-CE1 3.88Å; L410-F595 HydrophobicContact CB-CD1 4.44Å; L410-F595 HydrophobicContact CB-CE1 4.06Å; L410-F595 HydrophobicContact CB-CZ 4.2Å; L410-F595 HydrophobicContact CD1-CB 4.12Å; L410-F595 HydrophobicContact CD1-CD1 3.87Å; L410-F595 HydrophobicContact CD1-CD2 4.26Å; L410-F595 HydrophobicContact CD1-CE1 4.31Å; L410-F595 HydrophobicContact CD1-CG 3.83Å; L410-F595 HydrophobicContact CD2-CD1 3.7Å; L410-F595 HydrophobicContact CD2-CE1 3.91Å; L410-F595 HydrophobicContact CD2-CG 4.48Å; L410-F595 HydrophobicContact CG-CD1 4.21Å; L410-F595 HydrophobicContact CG-CE1 4.31Å; P411-F595 HydrophobicContact CG-CZ 4.5Å; P411-F595 VanDerWaalsContact O-CZ 3.31Å; P411-F595 WeakPolarHBondContact O-CZ 3.47Å; L593-F595 HydrophobicContact CD2-CD2 4.24Å; L593-F595 HydrophobicContact CD2-CE1 4.16Å; L593-F595 HydrophobicContact CD2-CE2 3.76Å; L593-F595 HydrophobicContact CD2-CZ 3.73Å; L593-F595 PolarHBondContact O-N 3.38Å; F595-L597 HydrophobicContact CE2-CD2 4.03Å; F595-M961 HydrophobicContact CE2-CE 3.9Å; F595-M961 HydrophobicContact CZ-CE 3.57Å
596C68.9Low68.4Low17 Ų1722.1 Ų22.112%0.11515%0.147CC..  trans-76.5138.217658.10000112.1N559 C560 C598 C1270N559-C596 HydrophobicContact CB-CB 4.48Å; C560-C596 VanDerWaalsContact SG-CB 3.57Å; C596-C598 HydrophobicContact CB-CB 3.61Å; C596-C598 WeakPolarHBondContact CB-SG 3.36Å; C596-C598 PolarHBondContact O-N 2.85Å; C596-C598 PolarHBondContact O-SG 3.44Å; C596-C598 WeakPolarHBondContact SG-CB 3.34Å; C596-C598 CovalentContact SG-SG 2.05Å; C596-C598 PolarHBondContact SG-SG 2.88Å; C596-C1270 VanDerWaalsContact SG-CA 3.58Å; C596-C1270 WeakPolarHBondContact SG-CB 3.32Å; C596-C1270 PolarHBondContact SG-SG 2.79Å
597L79.9Confident70.1Confident7 Ų731.1 Ų31.14%0.03718%0.177CC..  trans-79.927.7158.5-63.3179.2000111.4P413 I555 L593 F595 G599 L600 A601 I959 M961P413-L597 HydrophobicContact CG-CD2 4.11Å; I555-L597 HydrophobicContact CD1-CB 4.28Å; I555-L597 HydrophobicContact CD1-CD1 4.32Å; I555-L597 HydrophobicContact CG1-CB 4.49Å; I555-L597 HydrophobicContact CG2-CB 3.65Å; I555-L597 WeakPolarHBondContact CG2-O 3.45Å; L593-L597 HydrophobicContact CD1-CD1 3.8Å; L593-L597 HydrophobicContact CD1-CG 4.15Å; L593-L597 HydrophobicContact CD2-CD1 4.04Å; L593-L597 HydrophobicContact CD2-CD2 3.96Å; L593-L597 HydrophobicContact CD2-CG 3.73Å; F595-L597 HydrophobicContact CE2-CD2 4.03Å; L597-G599 VanDerWaalsContact C-N 3.28Å; L597-G599 PolarHBondContact O-N 3.48Å; L597-L600 HydrophobicContact CB-CB 4.42Å; L597-L600 WeakPolarHBondContact O-CB 3.32Å; L597-L600 PolarHBondContact O-N 3.45Å; L597-A601 PolarHBondContact O-N 2.84Å; L597-I959 HydrophobicContact CD1-CD1 4.25Å; L597-M961 HydrophobicContact CD1-SD 4.41Å; L597-M961 HydrophobicContact CD2-CE 3.94Å
598C81.5Confident71.4Confident3 Ų333.1 Ų33.12%0.0218%0.183CC..Hα-helixtrans-48.8-43.7178.636.90000112.8C596 L600 A601 S602 F1272C596-C598 HydrophobicContact CB-CB 3.61Å; C596-C598 WeakPolarHBondContact CB-SG 3.36Å; C596-C598 PolarHBondContact O-N 2.85Å; C596-C598 PolarHBondContact O-SG 3.44Å; C596-C598 WeakPolarHBondContact SG-CB 3.34Å; C596-C598 CovalentContact SG-SG 2.05Å; C596-C598 PolarHBondContact SG-SG 2.88Å; C598-L600 VanDerWaalsContact C-N 3.33Å; C598-L600 PolarHBondContact O-N 3.42Å; C598-A601 PolarHBondContact O-N 3.15Å; C598-S602 PolarHBondContact O-N 3.26Å; C598-F1272 HydrophobicContact CB-CD2 3.78Å; C598-F1272 HydrophobicContact CB-CE2 4.13Å; C598-F1272 WeakPolarHBondContact O-CE2 3.48Å
599G80.7Confident72.6Confident1 Ų132.4 Ų32.41%0.0118%0.184CC..Hα-helixtrans-68.2-26.717700000114.3F532 L597 S602 Q603F532-G599 VanDerWaalsContact O-CA 3.29Å; F532-G599 WeakPolarHBondContact O-CA 3.21Å; L597-G599 VanDerWaalsContact C-N 3.28Å; L597-G599 PolarHBondContact O-N 3.48Å; G599-S602 WeakPolarHBondContact O-CB 3.37Å; G599-S602 PolarHBondContact O-N 2.86Å; G599-Q603 WeakPolarHBondContact O-CB 3.2Å; G599-Q603 PolarHBondContact O-N 2.98Å
600L86.5Confident74Confident0 Ų033 Ų330%019%0.192CC..Hα-helixtrans-69.3-38.2171-178.759.6000111L524 P534 F536 I555 L597 C598 Q603 I604 I959L524-L600 HydrophobicContact CD1-CD1 4.17Å; L524-L600 HydrophobicContact CD1-CD2 4.4Å; L524-L600 HydrophobicContact CD2-CD1 3.85Å; P534-L600 HydrophobicContact CG-CB 3.72Å; P534-L600 HydrophobicContact CG-CD1 3.89Å; P534-L600 HydrophobicContact CG-CG 4.32Å; F536-L600 HydrophobicContact CE2-CD1 4.38Å; F536-L600 HydrophobicContact CZ-CD1 4.02Å; I555-L600 HydrophobicContact CD1-CD2 4.04Å; L597-L600 HydrophobicContact CB-CB 4.42Å; L597-L600 WeakPolarHBondContact O-CB 3.32Å; L597-L600 PolarHBondContact O-N 3.45Å; C598-L600 VanDerWaalsContact C-N 3.33Å; C598-L600 PolarHBondContact O-N 3.42Å; L600-Q603 WeakPolarHBondContact O-CB 3.39Å; L600-Q603 PolarHBondContact O-N 3.31Å; L600-I604 HydrophobicContact CD1-CD1 4.49Å; L600-I604 HydrophobicContact CG-CD1 4.25Å; L600-I604 WeakPolarHBondContact O-CD1 3.49Å; L600-I604 VanDerWaalsContact O-CG1 3.29Å; L600-I604 WeakPolarHBondContact O-CG1 3.13Å; L600-I604 PolarHBondContact O-N 3.4Å; L600-I959 HydrophobicContact CD2-CD1 3.82Å
601A87.8Confident75.2Confident0 Ų032.5 Ų32.50%019%0.186CC..Hα-helixtrans-67.7-38.3172.900000111.9I555 L556 L597 C598 I604 G605 F606I555-A601 HydrophobicContact CG2-CB 4.35Å; L556-A601 HydrophobicContact CD1-CB 3.88Å; L556-A601 HydrophobicContact CD2-CB 3.82Å; L556-A601 HydrophobicContact CG-CB 3.57Å; L597-A601 PolarHBondContact O-N 2.84Å; C598-A601 PolarHBondContact O-N 3.15Å; A601-I604 PolarHBondContact O-N 3.46Å; A601-G605 PolarHBondContact O-N 2.94Å; A601-F606 HydrophobicContact CB-CB 4.47Å; A601-F606 HydrophobicContact CB-CD2 4.25Å; A601-F606 WeakPolarHBondContact O-CD2 3.37Å; A601-F606 PolarHBondContact O-N 3.32Å; A601-F606 VanDerWaalsContact O-N 3.08Å
602S84.8Confident76.2Confident47 Ų4736.7 Ų36.733%0.32921%0.209SC..Hα-helixtrans-58.6-45.2170.3-168.80000111.5C598 G599 I604 G605C598-S602 PolarHBondContact O-N 3.26Å; G599-S602 WeakPolarHBondContact O-CB 3.37Å; G599-S602 PolarHBondContact O-N 2.86Å; S602-I604 VanDerWaalsContact C-N 3.28Å; S602-I604 PolarHBondContact O-N 3.21Å; S602-G605 WeakPolarHBondContact O-CA 3.34Å; S602-G605 PolarHBondContact O-N 3.48Å
603Q85.2Confident77.2Confident43 Ų4337.8 Ų37.820%0.20122%0.222CC..Hα-helixtrans-59.1-35.8174.6-157.18016.500112.8P534 H535 F536 W541 G599 L600 G605P534-Q603 VanDerWaalsContact O-CG 3.3Å; P534-Q603 WeakPolarHBondContact O-CG 3.42Å; P534-Q603 PolarHBondContact O-OE1 3.25Å; H535-Q603 PolarHBondContact CD2-NE2 3.32Å; F536-Q603 HydrophobicContact CD2-CG 4.06Å; F536-Q603 HydrophobicContact CE2-CG 4.19Å; W541-Q603 WeakPolarHBondContact CH2-O 3.09Å; G599-Q603 WeakPolarHBondContact O-CB 3.2Å; G599-Q603 PolarHBondContact O-N 2.98Å; L600-Q603 WeakPolarHBondContact O-CB 3.39Å; L600-Q603 PolarHBondContact O-N 3.31Å; Q603-G605 PolarHBondContact O-N 3.27Å
604I87.1Confident78.3Confident4 Ų439.4 Ų39.42%0.02123%0.229CC..Hα-helixtrans-74.4-10.9175.6-67.7163.4000112F536 L545 L548 K549 L600 A601 S602 F606F536-I604 HydrophobicContact CE2-CG1 4.06Å; F536-I604 HydrophobicContact CZ-CG1 4.11Å; L545-I604 HydrophobicContact CD2-CG2 4.2Å; L545-I604 VanDerWaalsContact CD2-O 3.25Å; L545-I604 WeakPolarHBondContact CD2-O 3.47Å; L548-I604 HydrophobicContact CB-CD1 4.32Å; L548-I604 HydrophobicContact CB-CG1 4.38Å; L548-I604 HydrophobicContact CB-CG2 4.21Å; K549-I604 HydrophobicContact CG-CG2 4.36Å; L600-I604 HydrophobicContact CD1-CD1 4.49Å; L600-I604 HydrophobicContact CG-CD1 4.25Å; L600-I604 WeakPolarHBondContact O-CD1 3.49Å; L600-I604 VanDerWaalsContact O-CG1 3.29Å; L600-I604 WeakPolarHBondContact O-CG1 3.13Å; L600-I604 PolarHBondContact O-N 3.4Å; A601-I604 PolarHBondContact O-N 3.46Å; S602-I604 VanDerWaalsContact C-N 3.28Å; S602-I604 PolarHBondContact O-N 3.21Å; I604-F606 HydrophobicContact CB-CD2 4.42Å; I604-F606 HydrophobicContact CG2-CD2 4.14Å; I604-F606 HydrophobicContact CG2-CE2 3.89Å
605G85.1Confident79.3Confident57 Ų5739.7 Ų39.759%0.58824%0.237SC*.THydrogen-bonded Turntrans106.312.3172.900000115.6A601 S602 Q603A601-G605 PolarHBondContact O-N 2.94Å; S602-G605 WeakPolarHBondContact O-CA 3.34Å; S602-G605 PolarHBondContact O-N 3.48Å; Q603-G605 PolarHBondContact O-N 3.27Å
606F87Confident80Confident38 Ų3840.6 Ų40.617%0.16724%0.244CC..  trans-75145.2172.4-70.8-91.6000111.3K549 L553 L556 A601 I604 A610 F1272K549-F606 HydrophobicContact CB-CZ 4.42Å; K549-F606 HydrophobicContact CG-CE2 4.37Å; K549-F606 HydrophobicContact CG-CZ 4.38Å; K549-F606 WeakPolarHBondContact O-CZ 3.46Å; L553-F606 HydrophobicContact CB-CE1 4.18Å; L553-F606 HydrophobicContact CB-CZ 3.92Å; L553-F606 HydrophobicContact CD1-CE1 4.24Å; L556-F606 HydrophobicContact CD1-CB 3.62Å; L556-F606 HydrophobicContact CD1-CD1 3.8Å; L556-F606 HydrophobicContact CD1-CD2 4.4Å; L556-F606 HydrophobicContact CD1-CG 3.69Å; A601-F606 HydrophobicContact CB-CB 4.47Å; A601-F606 HydrophobicContact CB-CD2 4.25Å; A601-F606 WeakPolarHBondContact O-CD2 3.37Å; A601-F606 PolarHBondContact O-N 3.32Å; A601-F606 VanDerWaalsContact O-N 3.08Å; I604-F606 HydrophobicContact CB-CD2 4.42Å; I604-F606 HydrophobicContact CG2-CD2 4.14Å; I604-F606 HydrophobicContact CG2-CE2 3.89Å; F606-A610 HydrophobicContact CD1-CB 4.11Å; F606-F1272 HydrophobicContact CB-CE1 4.29Å
607R83.3Confident80.2Confident210 Ų21042.9 Ų42.979%0.79225%0.253SS*.  trans-119.1161.7-179.4-66.1-175.1178.4-173.5-1.5111.8G609 A610 F1272R607-G609 PolarHBondContact O-N 2.75Å; R607-A610 WeakPolarHBondContact O-CB 3.3Å; R607-A610 PolarHBondContact O-N 3.22Å; R607-A610 VanDerWaalsContact O-N 3.11Å; R607-F1272 VanDerWaalsContact C-CE1 3.44Å; R607-F1272 WeakPolarHBondContact O-CE1 3.44Å
608D71.9Confident79.9Confident117 Ų11742.8 Ų42.863%0.62625%0.253SS*.THydrogen-bonded Turntrans-54.1138.2177-54.3-50.5000111
609G72.1Confident79.8Confident31 Ų3142.7 Ų42.732%0.3225%0.253SS..THydrogen-bonded Turntrans90.7-11-171.600000115.7R607 V611 N612R607-G609 PolarHBondContact O-N 2.75Å; G609-V611 PolarHBondContact O-N 3.1Å; G609-N612 VanDerWaalsContact O-CB 3.28Å; G609-N612 WeakPolarHBondContact O-CB 3.34Å; G609-N612 PolarHBondContact O-N 2.77Å
610A78.1Confident79.8Confident35 Ų3543.7 Ų43.729%0.28926%0.258SS..THydrogen-bonded Turntrans-58.9-19.9176.700000114.7L556 F606 R607L556-A610 HydrophobicContact CD1-CB 4.37Å; F606-A610 HydrophobicContact CD1-CB 4.11Å; R607-A610 WeakPolarHBondContact O-CB 3.3Å; R607-A610 PolarHBondContact O-N 3.22Å; R607-A610 VanDerWaalsContact O-N 3.11Å
611V77.2Confident79.3Confident10 Ų1043.7 Ų43.76%0.06126%0.258CS..THydrogen-bonded Turntrans-83.3-23.2176.1176.70000112.1L556 L557 H561 G609 G613 F614L556-V611 HydrophobicContact CB-CG2 4Å; L557-V611 HydrophobicContact CD2-CG1 4.28Å; H561-V611 HydrophobicContact CB-CG1 4.06Å; G609-V611 PolarHBondContact O-N 3.1Å; V611-G613 PolarHBondContact O-N 3.46Å; V611-G613 VanDerWaalsContact O-N 3.16Å; V611-F614 PolarHBondContact O-N 2.91Å
612N74.4Confident78.9Confident96 Ų9643.8 Ų43.851%0.51326%0.258SS..THydrogen-bonded Turntrans-70.5-16-168-58.96000113.7G609 N1274G609-N612 VanDerWaalsContact O-CB 3.28Å; G609-N612 WeakPolarHBondContact O-CB 3.34Å; G609-N612 PolarHBondContact O-N 2.77Å; N612-N1274 PolarHBondContact OD1-ND2 3.45Å
613G74.2Confident78.4Confident33 Ų3342.4 Ų42.434%0.3425%0.246SC..THydrogen-bonded Turntrans-84.1-4.7-178.200000115.1V611 P673V611-G613 PolarHBondContact O-N 3.46Å; V611-G613 VanDerWaalsContact O-N 3.16Å; G613-P673 WeakPolarHBondContact O-CD 3.28Å; G613-P673 WeakPolarHBondContact O-CG 3.4Å
614F80Confident77.8Confident36 Ų3640.6 Ų40.616%0.15824%0.238CC..  trans-116.3124.9-171.4-63.7-86.5000112.5L553 L557 V611 F670L553-F614 HydrophobicContact CD1-CE2 3.97Å; L553-F614 HydrophobicContact CD1-CZ 4.25Å; L553-F614 HydrophobicContact CD2-CZ 4.22Å; L557-F614 HydrophobicContact CD1-CD1 4.28Å; L557-F614 HydrophobicContact CD1-CD2 4.09Å; L557-F614 HydrophobicContact CD1-CE2 4.34Å; L557-F614 HydrophobicContact CD1-CG 4.06Å; L557-F614 HydrophobicContact CD2-CB 4.07Å; L557-F614 HydrophobicContact CD2-CD2 3.81Å; L557-F614 HydrophobicContact CD2-CG 4.08Å; V611-F614 PolarHBondContact O-N 2.91Å; F614-F670 HydrophobicContact CB-CB 4.46Å; F614-F670 HydrophobicContact CB-CD1 3.68Å; F614-F670 HydrophobicContact CB-CE1 4.3Å; F614-F670 HydrophobicContact CB-CG 4.39Å
615G76.4Confident76.8Confident29 Ų2942.4 Ų42.430%0.29925%0.247SC..EExtended strand (participates in β ladder)trans-87.1135.1174.200000111.7H617 F670 S671G615-H617 PolarHBondContact O-CD2 3.02Å; G615-F670 CarbonylContact O-C 3.55Å; G615-F670 WeakPolarHBondContact O-CA 3.34Å; G615-S671 PolarHBondContact N-O 3.2Å; G615-S671 PolarHBondContact O-N 2.84Å
616T77.2Confident75.6Confident38 Ų3840.7 Ų40.723%0.23323%0.226CC..EExtended strand (participates in β ladder)trans-94.2133.7-179.852.20000112.8H561 I564 F670H561-T616 WeakPolarHBondContact CE1-CG2 3.33Å; H561-T616 WeakPolarHBondContact ND1-CG2 3.37Å; I564-T616 HydrophobicContact CD1-CG2 3.36Å; I564-T616 HydrophobicContact CG1-CG2 4.01Å; T616-F670 HydrophobicContact CG2-CD1 3.77Å; T616-F670 HydrophobicContact CG2-CE1 3.43Å; T616-F670 VanDerWaalsContact CG2-CE1 3.43Å; T616-F670 HydrophobicContact CG2-CZ 4.21Å
617H74.3Confident73.6Confident65 Ų6540.8 Ų40.830%0.30123%0.232SC..EExtended strand (participates in β ladder)trans-118.4-11.5-179.2-64.9-97.1000115.2G615 V669 S671 Y679 L747G615-H617 PolarHBondContact O-CD2 3.02Å; H617-V669 HydrophobicContact CB-CG1 4.19Å; H617-V669 PolarHBondContact N-O 3.23Å; H617-S671 VanDerWaalsContact NE2-CB 3.32Å; H617-S671 WeakPolarHBondContact NE2-CB 3.24Å; H617-S671 PolarHBondContact NE2-OG 3.28Å; H617-Y679 HydrophobicContact CB-CE1 4.38Å; H617-Y679 AromaticContact CD2-CE1 3.76Å; H617-Y679 AromaticContact CE1-CE1 3.82Å; H617-Y679 AromaticContact CG-CE1 3.72Å; H617-Y679 AromaticContact ND1-CE1 3.76Å; H617-Y679 AromaticContact NE2-CE1 3.82Å; H617-L747 HydrophobicContact CB-CD1 4.1Å
618G74.2Confident71.6Confident5 Ų534.6 Ų34.65%0.05223%0.225CC..EExtended strand (participates in β ladder)trans160.3173.5172.500000114.7V669G618-V669 PolarHBondContact O-N 3.33Å
619C78Confident69.5Low2 Ų232.1 Ų32.11%0.01422%0.221CC..EExtended strand (participates in β ladder)trans-133.3142.9177.1-71.60000112.8Q567 F666 S667 F757Q567-C619 PolarHBondContact OE1-SG 3.28Å; C619-F666 HydrophobicContact CB-CE2 4.09Å; C619-F666 HydrophobicContact CB-CZ 3.99Å; C619-S667 WeakPolarHBondContact CA-O 3.47Å; C619-F757 PolarHBondContact O-N 3.09Å
620L80.3Confident67.6Low22 Ų2238 Ų3812%0.11524%0.235CC..EExtended strand (participates in β ladder)trans-124.4126.3178.6-79.5148.1000109.3S667 F757 L759 V946 I949L620-S667 PolarHBondContact N-O 3.49Å; L620-S667 PolarHBondContact O-N 3.06Å; L620-F757 HydrophobicContact CD2-CB 4.07Å; L620-L759 HydrophobicContact CD2-CD1 3.76Å; L620-V946 HydrophobicContact CD2-CG1 4.13Å; L620-I949 HydrophobicContact CD1-CG2 4.16Å
621G77.8Confident65.3Low0 Ų040.5 Ų40.50%026%0.256CS..EExtended strand (participates in β ladder)trans-108.1130.6172.700000110.8F757 M758 L759G621-F757 PolarHBondContact N-O 3.34Å; G621-M758 CarbonylContact O-C 3.45Å; G621-M758 VanDerWaalsContact O-CA 3.26Å; G621-M758 WeakPolarHBondContact O-CA 3.37Å; G621-L759 PolarHBondContact O-N 3.05Å
622A79.4Confident63Low1 Ų145.2 Ų45.21%0.00829%0.289CS..EExtended strand (participates in β ladder)trans-125.7140.417400000110.6Y664 C665 L759 L761 L950A622-Y664 CarbonylContact O-C 3.57Å; A622-Y664 WeakPolarHBondContact O-CA 3.42Å; A622-C665 PolarHBondContact N-O 3Å; A622-C665 PolarHBondContact O-N 3.4Å; A622-L759 WeakPolarHBondContact CA-O 3.49Å; A622-L761 HydrophobicContact CB-CD1 3.97Å; A622-L761 HydrophobicContact CB-CG 4.28Å; A622-L950 HydrophobicContact CB-CD1 3.98Å
623Y74.3Confident60.7Low19 Ų1947.3 Ų47.38%0.07530%0.3CS..EExtended strand (participates in β ladder)trans-139.7154171.468.8-93.8000111.2L662 A663 L759 R760 L761Y623-L662 HydrophobicContact CD2-CD1 3.98Å; Y623-L662 HydrophobicContact CD2-CD2 4.32Å; Y623-L662 HydrophobicContact CD2-CG 4.36Å; Y623-L662 HydrophobicContact CG-CD2 4.41Å; Y623-A663 CarbonylContact C-O 3.05Å; Y623-A663 VanDerWaalsContact CA-O 3.26Å; Y623-A663 WeakPolarHBondContact CA-O 3.31Å; Y623-L759 PolarHBondContact N-O 3.37Å; Y623-R760 HydrophobicContact CD2-CG 4.39Å; Y623-R760 HydrophobicContact CE1-CB 4.45Å; Y623-R760 HydrophobicContact CE2-CB 3.98Å; Y623-R760 HydrophobicContact CE2-CG 3.77Å; Y623-R760 CarbonylContact O-C 3.53Å; Y623-R760 WeakPolarHBondContact O-CA 3.31Å; Y623-L761 PolarHBondContact O-N 3.4Å
624S72.5Confident58.5Low5 Ų550.1 Ų50.14%0.03531%0.314CS..EExtended strand (participates in β ladder)trans-136.4151.2172.2-162.60000110.9C626 A663 L761 P762S624-C626 PolarHBondContact O-N 2.68Å; S624-A663 PolarHBondContact N-O 2.78Å; S624-A663 PolarHBondContact O-N 2.64Å; S624-L761 PolarHBondContact OG-O 3.11Å; S624-P762 PolarHBondContact OG-O 3.22Å
625I66Low55.9Low41 Ų4156.6 Ų56.621%0.2135%0.351CS..EExtended strand (participates in β ladder)trans-95.592.9178.8-54.4-176.7000107.1F582 S627 I660 L662F582-I625 HydrophobicContact CD2-CD1 4.49Å; F582-I625 HydrophobicContact CE1-CD1 4.24Å; F582-I625 HydrophobicContact CE2-CD1 3.62Å; F582-I625 HydrophobicContact CE2-CG1 4.37Å; F582-I625 HydrophobicContact CZ-CD1 3.48Å; F582-I625 VanDerWaalsContact CZ-CD1 3.48Å; I625-S627 PolarHBondContact O-N 2.84Å; I625-I660 HydrophobicContact CG2-CG2 3.54Å; I625-L662 HydrophobicContact CG1-CD1 3.95Å
626C58.8Low53.6Low22 Ų2259.9 Ų59.915%0.14938%0.375CS..EExtended strand (participates in β ladder)trans-83.3115.2179.3-67.80000109.9S624 A628 H661S624-C626 PolarHBondContact O-N 2.68Å; C626-A628 PolarHBondContact O-N 3.03Å; C626-H661 HydrophobicContact CB-CB 4.46Å; C626-H661 WeakPolarHBondContact CB-O 3.08Å; C626-H661 PolarHBondContact N-O 3.14Å; C626-H661 PolarHBondContact O-N 2.86Å; C626-H661 VanDerWaalsContact O-N 3.09Å
627S45.3Very low51.2Low39 Ų3964.3 Ų64.327%0.27340%0.402SS..EExtended strand (participates in β ladder)trans-72.7120.4163.1-171.60000108I625 A629 N658I625-S627 PolarHBondContact O-N 2.84Å; S627-A629 PolarHBondContact O-N 3.06Å; S627-N658 PolarHBondContact OG-ND2 2.69Å
628A40.7Very low49Very low80 Ų8068.6 Ų68.666%0.66143%0.427SS*.SBendtrans-73.570.4-177.600000111.9C626C626-A628 PolarHBondContact O-N 3.03Å
629A28Very low46.7Very low65 Ų6575.4 Ų75.454%0.53746%0.459SS..  trans-134.46.4-166.900000115.3S627S627-A629 PolarHBondContact O-N 3.06Å
630Y33Very low44.3Very low155 Ų15585.1 Ų85.161%0.60850%0.501SS*.  trans-124.487.8175.5-92-70.5000114.4
631A29Very low41.7Very low88 Ų8888.4 Ų88.473%0.72753%0.526SS*.SBendtrans-135123.8142.800000106.9
632S28.4Very low39.3Very low109 Ų10998 Ų9876%0.76257%0.568SS**SBendtrans55.198.9-168.260.70000115.9
633N27.9Very low36.8Very low140 Ų140105.9 Ų105.975%0.74961%0.609SS**  173.383.4121.1-86.7-19.9000112.7
634S26.2Very low34.4Very low91 Ų91110.4 Ų110.464%0.63664%0.644SS**SBendtrans-152.4112.4157.645.40000111.3A636S634-A636 PolarHBondContact O-N 3.23Å
635N26.7Very low32.3Very low173 Ų173115.6 Ų115.693%0.92568%0.68SS**SBendtrans51.655.9159.3-56.8-5.7000118.3
636A28Very low30.3Very low98 Ų98121.2 Ų121.281%0.8171%0.705SS**  trans-128.371.8163.800000111.4S634S634-A636 PolarHBondContact O-N 3.23Å
637T26.6Very low28.8Very low130 Ų130129.3 Ų129.380%0.79874%0.741SS**  trans-67.6146.415544.40000109
638D27.4Very low27.9Very low155 Ų155135 Ų13583%0.82977%0.766SS**  trans65.985.6178.1-57.5-33.1000118.2
639M27.3Very low27.4Very low148 Ų148136.1 Ų136.173%0.72976%0.761SS**  -168.5111.6117.4-100.9-62.2172.300112.2
640K26Very low27.3Very low206 Ų206137.4 Ų137.490%0.89676%0.764SS**  trans-91.2104.2168.3-74.1-176.9178.6179.10111
641S27.4Very low27.2Very low91 Ų91136.5 Ų136.564%0.63677%0.774SS**  trans-165.6115.6154.555.50000115.7
642K26.3Very low27.1Very low203 Ų203141.8 Ų141.888%0.88378%0.781SS**  trans45.394142.1-59.1-174.8177.7-174.20118.6
643L26.6Very low27.1Very low166 Ų166141.4 Ų141.487%0.86977%0.77SS**  trans-136.7151137.9-141.376.6000109.3
644S25.5Very low27Very low114 Ų114142 Ų14280%0.79777%0.774SS**  trans-68.6130.9-166.747.80000113.9
645S26.4Very low27.1Very low114 Ų114141.8 Ų141.880%0.79777%0.769SS**  trans-104.459.1-176.5-55.10000113.3
646E25.4Very low27.3Very low158 Ų158141 Ų14174%0.73877%0.765SS**  trans-127.180.1176.2-71.9-168.2124.800111.7
647E26.2Very low27.6Very low192 Ų192140.2 Ų140.290%0.89775%0.747SS**SBendtrans-179.1-13.7152.5-112.6-174167.200112.7L649E647-L649 PolarHBondContact O-N 2.58Å
648I27.9Very low28.1Very low158 Ų158138.7 Ų138.781%0.8173%0.734SS**  trans-75.1109.3-177.8-55.7177.3000110.8
649L29.3Very low29.1Very low105 Ų105139.3 Ų139.355%0.5572%0.724SS.*  trans-63.6127.3167.9-80.1164.5000110.6E647 T651E647-L649 PolarHBondContact O-N 2.58Å; L649-T651 PolarHBondContact O-N 2.84Å
650P26.7Very low30.3Very low91 Ų91134.7 Ų134.759%0.59170%0.702SS**  trans-81.9102.6-177.431.1-33.9000111.9V1185P650-V1185 HydrophobicContact CG-CG2 4.48Å
651T30.3Very low32Very low136 Ų136127.1 Ų127.183%0.83467%0.67SS**  trans-99.460.3169.558.70000111.7L649 D653L649-T651 PolarHBondContact O-N 2.84Å; T651-D653 PolarHBondContact O-N 3.3Å
652K27Very low34.1Very low199 Ų199122.8 Ų122.887%0.86564%0.64SS**  trans-91.382.7162.1-85.9-170.6173.4-1780109.2
653D28.2Very low36.6Very low101 Ų101113.1 Ų113.154%0.5460%0.598SS.*SBendtrans-156.9113.3164.1-101.5-31.7000109.1T651 R1190T651-D653 PolarHBondContact O-N 3.3Å; D653-R1190 IonicContact OD2-CZ 2.79Å; D653-R1190 IonicContact OD2-NH1 2.68Å; D653-R1190 PolarHBondContact OD2-NH1 2.72Å; D653-R1190 IonicContact OD2-NH2 2.63Å; D653-R1190 PolarHBondContact OD2-NH2 2.96Å
654N25.2Very low39.4Very low154 Ų154105.7 Ų105.782%0.82456%0.558SS**  trans-24.6120.5-179.7-58.3-54.3000118.8
655T28.9Very low42.3Very low85 Ų85100.3 Ų100.352%0.52152%0.52SS..  -168136.6118.118.30000111.4N657 V1019T655-N657 PolarHBondContact O-N 3.2Å; T655-N657 PolarHBondContact OG1-ND2 2.8Å; T655-V1019 HydrophobicContact CG2-CG2 3.89Å
656N29.8Very low45.2Very low158 Ų15894.9 Ų94.985%0.84548%0.482SS*.  trans-77.451.7171.9-66.1-0.4000111.5N658N656-N658 PolarHBondContact O-N 2.91Å
657N34.9Very low48.1Very low81 Ų8187.3 Ų87.343%0.43345%0.447SS..  trans-79.280.3166.9-78.8-53.5000107.6T655 R659 N1017T655-N657 PolarHBondContact O-N 3.2Å; T655-N657 PolarHBondContact OG1-ND2 2.8Å; N657-R659 PolarHBondContact O-N 2.99Å; N657-N1017 PolarHBondContact OD1-ND2 3.46Å
658N37.7Very low51.1Low97 Ų9778.2 Ų78.252%0.51940%0.404SS..  trans-55.3101.9177.7-67.99.2000109.5S627 N656 I660S627-N658 PolarHBondContact OG-ND2 2.69Å; N656-N658 PolarHBondContact O-N 2.91Å; N658-I660 VanDerWaalsContact C-N 3.31Å; N658-I660 PolarHBondContact O-N 3.16Å
659R47.8Very low53.8Low168 Ų16870.7 Ų70.763%0.63437%0.366SS*.  trans-68.795.4166.4-76.4-177.8173.6159.8-1107.1N657 H661N657-R659 PolarHBondContact O-N 2.99Å; R659-H661 PolarHBondContact O-N 2.93Å; R659-H661 VanDerWaalsContact O-N 3.12Å
660I53.1Low56.5Low52 Ų5265.8 Ų65.827%0.26734%0.34SS..EExtended strand (participates in β ladder)trans-63.7110.9175.6-66.9169.5000107.5Q579 F582 I625 N658Q579-I660 PolarHBondContact NE2-O 3.01Å; F582-I660 HydrophobicContact CB-CB 4.45Å; F582-I660 HydrophobicContact CB-CD1 4.03Å; F582-I660 HydrophobicContact CB-CG2 4.11Å; F582-I660 HydrophobicContact CD1-CD1 4.4Å; F582-I660 HydrophobicContact CG-CD1 4.45Å; F582-I660 HydrophobicContact CG-CG2 4.37Å; I625-I660 HydrophobicContact CG2-CG2 3.54Å; N658-I660 VanDerWaalsContact C-N 3.31Å; N658-I660 PolarHBondContact O-N 3.16Å
661H62.6Low59.2Low46 Ų4662.5 Ų62.521%0.21332%0.319CS..EExtended strand (participates in β ladder)trans-95.1114.2174.7-173.1-118.7000108.1C626 R659 A663 D688C626-H661 HydrophobicContact CB-CB 4.46Å; C626-H661 WeakPolarHBondContact CB-O 3.08Å; C626-H661 PolarHBondContact N-O 3.14Å; C626-H661 PolarHBondContact O-N 2.86Å; C626-H661 VanDerWaalsContact O-N 3.09Å; R659-H661 PolarHBondContact O-N 2.93Å; R659-H661 VanDerWaalsContact O-N 3.12Å; H661-A663 PolarHBondContact O-N 3.14Å; H661-A663 VanDerWaalsContact O-N 3.16Å; H661-D688 IonicContact CE1-OD2 3.42Å; H661-D688 PolarHBondContact CE1-OD2 3.19Å; H661-D688 IonicContact ND1-OD2 2.78Å; H661-D688 PolarHBondContact ND1-OD2 2.93Å
662L71.5Confident61.5Low1 Ų157.5 Ų57.51%0.00529%0.287CS..EExtended strand (participates in β ladder)trans-78.598.3169.6-155.289.6000109.3V575 T578 Q579 Y623 I625V575-L662 HydrophobicContact CB-CD2 4.23Å; V575-L662 HydrophobicContact CG1-CD2 3.99Å; V575-L662 HydrophobicContact CG2-CD2 4.15Å; T578-L662 VanDerWaalsContact OG1-CD2 3.3Å; T578-L662 WeakPolarHBondContact OG1-CD2 3.19Å; Q579-L662 VanDerWaalsContact OE1-CB 3.26Å; Y623-L662 HydrophobicContact CD2-CD1 3.98Å; Y623-L662 HydrophobicContact CD2-CD2 4.32Å; Y623-L662 HydrophobicContact CD2-CG 4.36Å; Y623-L662 HydrophobicContact CG-CD2 4.41Å; I625-L662 HydrophobicContact CG1-CD1 3.95Å
663A78.7Confident63.6Low0 Ų052.5 Ų52.50%028%0.276CS..EExtended strand (participates in β ladder)trans-73.9144.5171.200000109.7Y623 S624 H661 T686 D688 I689Y623-A663 CarbonylContact C-O 3.05Å; Y623-A663 VanDerWaalsContact CA-O 3.26Å; Y623-A663 WeakPolarHBondContact CA-O 3.31Å; S624-A663 PolarHBondContact N-O 2.78Å; S624-A663 PolarHBondContact O-N 2.64Å; H661-A663 PolarHBondContact O-N 3.14Å; H661-A663 VanDerWaalsContact O-N 3.16Å; A663-T686 WeakPolarHBondContact CA-OG1 3.4Å; A663-D688 WeakPolarHBondContact CB-OD1 3.39Å; A663-D688 WeakPolarHBondContact CB-OD2 3.38Å; A663-I689 HydrophobicContact CB-CB 4.5Å; A663-I689 HydrophobicContact CB-CD1 3.5Å; A663-I689 VanDerWaalsContact CB-CD1 3.5Å; A663-I689 HydrophobicContact CB-CG1 3.66Å
664Y84.7Confident65.6Low10 Ų1054.3 Ų54.34%0.03929%0.285CS..EExtended strand (participates in β ladder)trans-143.3156-174.662-107.5000113.9F572 V575 A590 A622 G685 T686F572-Y664 AromaticContact CE1-CD2 3.64Å; F572-Y664 HydrophobicContact CE1-CD2 3.64Å; F572-Y664 AromaticContact CE1-CE2 3.51Å; F572-Y664 HydrophobicContact CE1-CE2 3.51Å; F572-Y664 HydrophobicContact CE1-CG 4.26Å; F572-Y664 AromaticContact CE1-CZ 3.99Å; F572-Y664 HydrophobicContact CZ-CD2 4.32Å; F572-Y664 HydrophobicContact CZ-CE2 4.01Å; V575-Y664 HydrophobicContact CG1-CD1 3.9Å; V575-Y664 HydrophobicContact CG1-CE1 4.43Å; A590-Y664 HydrophobicContact CB-CE1 4.13Å; A622-Y664 CarbonylContact O-C 3.57Å; A622-Y664 WeakPolarHBondContact O-CA 3.42Å; Y664-G685 CarbonylContact O-C 3.56Å; Y664-G685 WeakPolarHBondContact O-CA 3.48Å; Y664-T686 HydrophobicContact CD1-CG2 3.65Å; Y664-T686 HydrophobicContact CD2-CG2 4.22Å; Y664-T686 HydrophobicContact CE1-CG2 3.49Å; Y664-T686 VanDerWaalsContact CE1-CG2 3.49Å; Y664-T686 HydrophobicContact CE2-CG2 4.05Å; Y664-T686 HydrophobicContact CG-CG2 4.03Å; Y664-T686 PolarHBondContact N-OG1 3.11Å; Y664-T686 PolarHBondContact O-N 2.94Å; Y664-T686 PolarHBondContact O-OG1 3.47Å
665C85.8Confident67.7Low0 Ų051.3 Ų51.30%027%0.268CS..EExtended strand (participates in β ladder)trans-147.5118.9169.2-176.30000110.7A622 I689 L693A622-C665 PolarHBondContact N-O 3Å; A622-C665 PolarHBondContact O-N 3.4Å; C665-I689 HydrophobicContact CB-CG2 3.7Å; C665-L693 HydrophobicContact CB-CD1 4.29Å
666F87.3Confident69.3Low0 Ų056.8 Ų56.80%029%0.288CS..EExtended strand (participates in β ladder)trans-97.4130.2170178.7-95.6000109.2I564 R568 F571 F572 C619 S683 Q684I564-F666 HydrophobicContact CG2-CE1 3.8Å; I564-F666 HydrophobicContact CG2-CZ 3.92Å; R568-F666 HydrophobicContact CB-CD1 4.31Å; R568-F666 HydrophobicContact CB-CE1 3.81Å; R568-F666 HydrophobicContact CB-CE2 4.05Å; R568-F666 HydrophobicContact CB-CZ 3.66Å; R568-F666 HydrophobicContact CG-CD1 3.91Å; R568-F666 HydrophobicContact CG-CD2 4.48Å; R568-F666 HydrophobicContact CG-CE1 3.89Å; R568-F666 HydrophobicContact CG-CE2 4.46Å; R568-F666 HydrophobicContact CG-CG 4.21Å; R568-F666 HydrophobicContact CG-CZ 4.18Å; F571-F666 HydrophobicContact CB-CD2 3.96Å; F571-F666 HydrophobicContact CB-CE2 4.31Å; F571-F666 HydrophobicContact CD1-CB 3.87Å; F571-F666 AromaticContact CD1-CD2 3.8Å; F571-F666 HydrophobicContact CD1-CD2 3.8Å; F571-F666 HydrophobicContact CD1-CG 4.26Å; F571-F666 HydrophobicContact CE1-CB 3.85Å; F571-F666 AromaticContact CG-CD2 3.9Å; F571-F666 HydrophobicContact CG-CD2 3.9Å; F572-F666 HydrophobicContact CZ-CB 4.36Å; C619-F666 HydrophobicContact CB-CE2 4.09Å; C619-F666 HydrophobicContact CB-CZ 3.99Å; F666-S683 CarbonylContact O-C 3.47Å; F666-S683 WeakPolarHBondContact O-CA 3.27Å; F666-Q684 PolarHBondContact N-O 3.36Å; F666-Q684 PolarHBondContact O-N 3.35Å
667S87.4Confident70.9Confident0 Ų051.7 Ų51.70%027%0.272CS..EExtended strand (participates in β ladder)trans-133.1130.3-176.4-45.60000110.8C619 L620 S683C619-S667 WeakPolarHBondContact CA-O 3.47Å; L620-S667 PolarHBondContact N-O 3.49Å; L620-S667 PolarHBondContact O-N 3.06Å; S667-S683 WeakPolarHBondContact CB-OG 3.09Å; S667-S683 PolarHBondContact OG-OG 3.11Å
668S87.5Confident72.6Confident0 Ų048.3 Ų48.30%026%0.256CS..EExtended strand (participates in β ladder)trans-117.3148.4178.160.70000111.8N558 F670 L681 L682N558-S668 WeakPolarHBondContact OD1-CB 3.31Å; N558-S668 PolarHBondContact OD1-OG 3.12Å; S668-F670 VanDerWaalsContact OG-CE2 3.24Å; S668-F670 WeakPolarHBondContact OG-CE2 3.47Å; S668-L681 CarbonylContact O-C 3.56Å; S668-L681 WeakPolarHBondContact O-CA 3.42Å; S668-L682 PolarHBondContact N-O 3Å; S668-L682 PolarHBondContact O-N 3.46Å
669V86Confident74.6Confident1 Ų146.3 Ų46.31%0.00624%0.242CC..EExtended strand (participates in β ladder)trans-107.7123.1179.3-177.50000110.4H617 G618 Y679 Q680 L681 L735H617-V669 HydrophobicContact CB-CG1 4.19Å; H617-V669 PolarHBondContact N-O 3.23Å; G618-V669 PolarHBondContact O-N 3.33Å; V669-Y679 HydrophobicContact CG1-CD1 4.06Å; V669-Q680 WeakPolarHBondContact CA-O 3.32Å; V669-L681 HydrophobicContact CG2-CD1 3.68Å; V669-L735 HydrophobicContact CG1-CD1 4.08Å; V669-L735 HydrophobicContact CG2-CD1 4.29Å
670F85.7Confident76.4Confident1 Ų139.6 Ų39.60%0.00422%0.218CC..EExtended strand (participates in β ladder)trans-115.4158.5173-67.8-89.7000111.7L557 H561 I564 F614 G615 T616 S668 Y679 Q680 L682L557-F670 HydrophobicContact CB-CD2 4.48Å; L557-F670 HydrophobicContact CB-CE1 4.25Å; L557-F670 HydrophobicContact CB-CE2 3.66Å; L557-F670 HydrophobicContact CB-CZ 3.51Å; L557-F670 HydrophobicContact CD1-CD2 4.28Å; L557-F670 HydrophobicContact CD1-CE2 4.26Å; L557-F670 HydrophobicContact CD1-CG 4.42Å; L557-F670 HydrophobicContact CD1-CZ 4.36Å; L557-F670 HydrophobicContact CD2-CD1 4.41Å; L557-F670 HydrophobicContact CD2-CE1 3.85Å; L557-F670 HydrophobicContact CD2-CZ 4Å; L557-F670 HydrophobicContact CG-CE1 4.42Å; L557-F670 HydrophobicContact CG-CE2 4.4Å; L557-F670 HydrophobicContact CG-CZ 4.15Å; H561-F670 HydrophobicContact CB-CE1 4.45Å; H561-F670 HydrophobicContact CB-CZ 4.43Å; I564-F670 HydrophobicContact CD1-CE1 3.67Å; I564-F670 HydrophobicContact CD1-CE2 3.71Å; I564-F670 HydrophobicContact CD1-CZ 3.16Å; F614-F670 HydrophobicContact CB-CB 4.46Å; F614-F670 HydrophobicContact CB-CD1 3.68Å; F614-F670 HydrophobicContact CB-CE1 4.3Å; F614-F670 HydrophobicContact CB-CG 4.39Å; G615-F670 CarbonylContact O-C 3.55Å; G615-F670 WeakPolarHBondContact O-CA 3.34Å; T616-F670 HydrophobicContact CG2-CD1 3.77Å; T616-F670 HydrophobicContact CG2-CE1 3.43Å; T616-F670 VanDerWaalsContact CG2-CE1 3.43Å; T616-F670 HydrophobicContact CG2-CZ 4.21Å; S668-F670 VanDerWaalsContact OG-CE2 3.24Å; S668-F670 WeakPolarHBondContact OG-CE2 3.47Å; F670-Y679 CarbonylContact O-C 3.44Å; F670-Y679 WeakPolarHBondContact O-CA 3.49Å; F670-Q680 PolarHBondContact N-O 3.41Å; F670-Q680 PolarHBondContact O-N 3.02Å; F670-L682 HydrophobicContact CD2-CD1 3.9Å; F670-L682 HydrophobicContact CE2-CD1 4.06Å
671S82.7Confident78Confident22 Ų2237.1 Ų37.115%0.15421%0.205CC..EExtended strand (participates in β ladder)trans-122.4138.3163.266.20000110.3G615 H617G615-S671 PolarHBondContact N-O 3.2Å; G615-S671 PolarHBondContact O-N 2.84Å; H617-S671 VanDerWaalsContact NE2-CB 3.32Å; H617-S671 WeakPolarHBondContact NE2-CB 3.24Å; H617-S671 PolarHBondContact NE2-OG 3.28Å
672D79.6Confident79.3Confident31 Ų3135.2 Ų35.217%0.16620%0.197CC..  trans-82.2117.7163.3-170.6-29.6000109.1N674 I675 G678D672-N674 PolarHBondContact O-N 2.99Å; D672-N674 VanDerWaalsContact OD1-CB 3.25Å; D672-N674 WeakPolarHBondContact OD1-CB 3.31Å; D672-N674 PolarHBondContact OD1-N 2.89Å; D672-N674 PolarHBondContact OD1-ND2 2.77Å; D672-I675 HydrophobicContact CB-CB 4.32Å; D672-I675 HydrophobicContact CB-CD1 4.23Å; D672-I675 HydrophobicContact CB-CG1 4.22Å; D672-I675 PolarHBondContact O-N 3.39Å; D672-I675 VanDerWaalsContact O-O 3.08Å; D672-G678 PolarHBondContact N-O 3.5Å
673P70.1Confident80.2Confident95 Ų9535.2 Ų35.262%0.61720%0.197SC*.THydrogen-bonded Turntrans-67.3-14.4-179.730.9-35.8000113G613 I675G613-P673 WeakPolarHBondContact O-CD 3.28Å; G613-P673 WeakPolarHBondContact O-CG 3.4Å; P673-I675 VanDerWaalsContact C-N 3.29Å
674N70.7Confident80.7Confident139 Ų13935.2 Ų35.274%0.74320%0.197SC*.THydrogen-bonded Turntrans-80.8-10.7174-50.6-79.6000112.2D672D672-N674 PolarHBondContact O-N 2.99Å; D672-N674 VanDerWaalsContact OD1-CB 3.25Å; D672-N674 WeakPolarHBondContact OD1-CB 3.31Å; D672-N674 PolarHBondContact OD1-N 2.89Å; D672-N674 PolarHBondContact OD1-ND2 2.77Å
675I68.8Low80.9Confident90 Ų9034.7 Ų34.746%0.46220%0.195SC..SBendtrans-126.3100.4-175.7-51.9178.3000109.2D672 P673 G677 G678D672-I675 HydrophobicContact CB-CB 4.32Å; D672-I675 HydrophobicContact CB-CD1 4.23Å; D672-I675 HydrophobicContact CB-CG1 4.22Å; D672-I675 PolarHBondContact O-N 3.39Å; D672-I675 VanDerWaalsContact O-O 3.08Å; P673-I675 VanDerWaalsContact C-N 3.29Å; I675-G677 PolarHBondContact O-N 3.26Å; I675-G678 PolarHBondContact O-N 3.47Å
676Q62.5Low80.8Confident201 Ų20134.9 Ų34.994%0.93920%0.196SC*.THydrogen-bonded Turntrans-59.4124.5174.5-68.5-173.6-7.900110.3G678Q676-G678 VanDerWaalsContact C-N 3.27Å; Q676-G678 PolarHBondContact O-N 3.45Å
677G63.2Low80.6Confident50 Ų5034.9 Ų34.952%0.51520%0.196SC..THydrogen-bonded Turntrans78.6-0.2-174.300000115.4I675 Y679I675-G677 PolarHBondContact O-N 3.26Å; G677-Y679 PolarHBondContact O-N 2.85Å
678G71.6Confident80.4Confident10 Ų1036.5 Ų36.510%0.10320%0.204CC..  trans-74.960.4-176.700000114.9D672 I675 Q676D672-G678 PolarHBondContact N-O 3.5Å; I675-G678 PolarHBondContact O-N 3.47Å; Q676-G678 VanDerWaalsContact C-N 3.27Å; Q676-G678 PolarHBondContact O-N 3.45Å
679Y79.3Confident80.3Confident55 Ų5536.9 Ų36.922%0.21621%0.206CC..EExtended strand (participates in β ladder)trans-77.9139.7175.2-70.4-86.6000111.9H617 V669 F670 G677 L735 I739H617-Y679 HydrophobicContact CB-CE1 4.38Å; H617-Y679 AromaticContact CD2-CE1 3.76Å; H617-Y679 AromaticContact CE1-CE1 3.82Å; H617-Y679 AromaticContact CG-CE1 3.72Å; H617-Y679 AromaticContact ND1-CE1 3.76Å; H617-Y679 AromaticContact NE2-CE1 3.82Å; V669-Y679 HydrophobicContact CG1-CD1 4.06Å; F670-Y679 CarbonylContact O-C 3.44Å; F670-Y679 WeakPolarHBondContact O-CA 3.49Å; G677-Y679 PolarHBondContact O-N 2.85Å; Y679-L735 PolarHBondContact O-N 3.37Å; Y679-I739 HydrophobicContact CD2-CD1 3.3Å; Y679-I739 HydrophobicContact CE2-CD1 3.69Å; Y679-I739 HydrophobicContact CG-CD1 3.97Å
680Q85.7Confident80.3Confident28 Ų2836.9 Ų36.913%0.13121%0.206CC..EExtended strand (participates in β ladder)trans-137.8125.2-171.5-66.5-178.336.400110.5V669 F670 Y732V669-Q680 WeakPolarHBondContact CA-O 3.32Å; F670-Q680 PolarHBondContact N-O 3.41Å; F670-Q680 PolarHBondContact O-N 3.02Å; Q680-Y732 HydrophobicContact CB-CE2 3.95Å; Q680-Y732 HydrophobicContact CG-CE2 4.01Å
681L87.3Confident80.4Confident0 Ų036.9 Ų36.90%021%0.207CC..EExtended strand (participates in β ladder)trans-93.3128.2172.8-167.973.5000109.7S668 V669 Y732 S733 L735 I949S668-L681 CarbonylContact O-C 3.56Å; S668-L681 WeakPolarHBondContact O-CA 3.42Å; V669-L681 HydrophobicContact CG2-CD1 3.68Å; L681-Y732 CarbonylContact O-C 3.37Å; L681-Y732 WeakPolarHBondContact O-CA 3.32Å; L681-Y732 WeakPolarHBondContact O-CD2 3.43Å; L681-S733 WeakPolarHBondContact CB-O 3.22Å; L681-S733 PolarHBondContact N-O 2.97Å; L681-S733 PolarHBondContact O-N 3.07Å; L681-L735 HydrophobicContact CB-CD1 4.18Å; L681-L735 HydrophobicContact CB-CG 4.29Å; L681-I949 HydrophobicContact CD2-CG2 4.31Å
682L90Very high80.5Confident6 Ų639.3 Ų39.33%0.03122%0.223CC..EExtended strand (participates in β ladder)trans-120.8109.9175.8-74.9168000110.6L557 N558 S668 F670 Y732L557-L682 HydrophobicContact CB-CD1 3.95Å; L557-L682 HydrophobicContact CD1-CD1 3.51Å; L557-L682 HydrophobicContact CG-CD1 4.36Å; N558-L682 PolarHBondContact ND2-O 3.33Å; S668-L682 PolarHBondContact N-O 3Å; S668-L682 PolarHBondContact O-N 3.46Å; F670-L682 HydrophobicContact CD2-CD1 3.9Å; F670-L682 HydrophobicContact CE2-CD1 4.06Å; L682-Y732 HydrophobicContact CD2-CD2 3.77Å; L682-Y732 HydrophobicContact CG-CD2 4.42Å
683S90.2Very high80.7Confident0 Ų038.2 Ų38.20%022%0.218CC..EExtended strand (participates in β ladder)trans-106.7141.4-172.6-67.60000112.5F666 S667 F730 A731 Q953F666-S683 CarbonylContact O-C 3.47Å; F666-S683 WeakPolarHBondContact O-CA 3.27Å; S667-S683 WeakPolarHBondContact CB-OG 3.09Å; S667-S683 PolarHBondContact OG-OG 3.11Å; S683-F730 WeakPolarHBondContact O-CA 3.23Å; S683-A731 PolarHBondContact N-O 2.67Å; S683-A731 PolarHBondContact O-N 2.96Å; S683-Q953 VanDerWaalsContact CB-OE1 3.27Å; S683-Q953 PolarHBondContact OG-NE2 2.93Å; S683-Q953 PolarHBondContact OG-OE1 3.17Å
684Q89.4Confident81.7Confident0 Ų034 Ų340%019%0.19CC..EExtended strand (participates in β ladder)trans-136.5127.1178.2-178.1-172.9-42.600109.2F666 I728 G729 F730F666-Q684 PolarHBondContact N-O 3.36Å; F666-Q684 PolarHBondContact O-N 3.35Å; Q684-I728 HydrophobicContact CG-CG2 3.5Å; Q684-I728 VanDerWaalsContact CG-CG2 3.5Å; Q684-G729 VanDerWaalsContact CA-O 3.31Å; Q684-G729 WeakPolarHBondContact CA-O 3.33Å; Q684-F730 HydrophobicContact CB-CD1 4.37Å; Q684-F730 HydrophobicContact CB-CE1 4.43Å; Q684-F730 HydrophobicContact CG-CD1 4.19Å; Q684-F730 HydrophobicContact CG-CE1 3.86Å; Q684-F730 HydrophobicContact CG-CZ 4.39Å
685G87.2Confident82.5Confident0 Ų028.9 Ų28.90%017%0.166CC..EExtended strand (participates in β ladder)trans-166.6-174.7-169.300000115.3Y664 G729Y664-G685 CarbonylContact O-C 3.56Å; Y664-G685 WeakPolarHBondContact O-CA 3.48Å; G685-G729 PolarHBondContact N-O 2.77Å; G685-G729 VanDerWaalsContact N-O 3.09Å; G685-G729 PolarHBondContact O-N 2.83Å
686T85Confident83.6Confident4 Ų426.7 Ų26.73%0.02516%0.155CC..  trans-75.7153.8170.951.20000110.9A663 Y664 D688 L690A663-T686 WeakPolarHBondContact CA-OG1 3.4Å; Y664-T686 HydrophobicContact CD1-CG2 3.65Å; Y664-T686 HydrophobicContact CD2-CG2 4.22Å; Y664-T686 HydrophobicContact CE1-CG2 3.49Å; Y664-T686 VanDerWaalsContact CE1-CG2 3.49Å; Y664-T686 HydrophobicContact CE2-CG2 4.05Å; Y664-T686 HydrophobicContact CG-CG2 4.03Å; Y664-T686 PolarHBondContact N-OG1 3.11Å; Y664-T686 PolarHBondContact O-N 2.94Å; Y664-T686 PolarHBondContact O-OG1 3.47Å; T686-D688 VanDerWaalsContact C-N 3.27Å; T686-D688 WeakPolarHBondContact CB-OD1 3.15Å; T686-D688 PolarHBondContact O-N 2.75Å; T686-D688 PolarHBondContact OG1-OD1 3.45Å; T686-L690 WeakPolarHBondContact O-CB 3.44Å; T686-L690 WeakPolarHBondContact O-CG 3.43Å; T686-L690 PolarHBondContact O-N 2.8Å
687G83.5Confident85Confident0 Ų017.1 Ų17.10%011%0.11CC..Hα-helixtrans-72.1-20-172.200000114.2A691 H718G687-A691 WeakPolarHBondContact O-CB 3.18Å; G687-A691 PolarHBondContact O-N 2.82Å; G687-A691 VanDerWaalsContact O-N 3.12Å; G687-H718 PolarHBondContact N-CE1 2.84Å; G687-H718 VanDerWaalsContact N-CE1 3.31Å; G687-H718 PolarHBondContact N-NE2 2.71Å
688D83.1Confident86.4Confident34 Ų3417.4 Ų17.418%0.18210%0.096CC..Hα-helixtrans-70.3-54.7173.748.110.4000112.4H661 A663 T686 A691 S692 L715H661-D688 IonicContact CE1-OD2 3.42Å; H661-D688 PolarHBondContact CE1-OD2 3.19Å; H661-D688 IonicContact ND1-OD2 2.78Å; H661-D688 PolarHBondContact ND1-OD2 2.93Å; A663-D688 WeakPolarHBondContact CB-OD1 3.39Å; A663-D688 WeakPolarHBondContact CB-OD2 3.38Å; T686-D688 VanDerWaalsContact C-N 3.27Å; T686-D688 WeakPolarHBondContact CB-OD1 3.15Å; T686-D688 PolarHBondContact O-N 2.75Å; T686-D688 PolarHBondContact OG1-OD1 3.45Å; D688-A691 PolarHBondContact O-N 3.25Å; D688-S692 PolarHBondContact O-N 3.01Å; D688-L715 HydrophobicContact CB-CD2 4.48Å
689I83.8Confident87.2Confident8 Ų817 Ų174%0.0419%0.091CC..Hα-helixtrans-68-42.3175-81.2179.4000111.6A663 C665 A691 S692 L693A663-I689 HydrophobicContact CB-CB 4.5Å; A663-I689 HydrophobicContact CB-CD1 3.5Å; A663-I689 VanDerWaalsContact CB-CD1 3.5Å; A663-I689 HydrophobicContact CB-CG1 3.66Å; C665-I689 HydrophobicContact CB-CG2 3.7Å; I689-A691 VanDerWaalsContact C-N 3.27Å; I689-A691 PolarHBondContact O-N 3.48Å; I689-S692 PolarHBondContact O-N 3.2Å; I689-S692 VanDerWaalsContact O-N 3.08Å; I689-S692 PolarHBondContact O-OG 2.96Å; I689-L693 HydrophobicContact CG2-CD1 3.6Å; I689-L693 HydrophobicContact CG2-CG 3.96Å; I689-L693 WeakPolarHBondContact O-CG 3.42Å; I689-L693 PolarHBondContact O-N 3.21Å
690L87.9Confident87.5Confident0 Ų014.4 Ų14.40%08%0.081CC..Hα-helixtrans-65.7-32179.4-73.3179000112.4T686 C694 G729 A731T686-L690 WeakPolarHBondContact O-CB 3.44Å; T686-L690 WeakPolarHBondContact O-CG 3.43Å; T686-L690 PolarHBondContact O-N 2.8Å; L690-C694 WeakPolarHBondContact O-CB 3.23Å; L690-C694 PolarHBondContact O-N 3.33Å; L690-C694 PolarHBondContact O-SG 2.93Å; L690-G729 VanDerWaalsContact CD1-CA 3.48Å; L690-G729 WeakPolarHBondContact CD1-O 3.45Å; L690-A731 HydrophobicContact CD2-CB 3.98Å
691A86.6Confident87.6Confident2 Ų218.6 Ų18.62%0.01710%0.096CC..Hα-helixtrans-61.1-50.1168.600000111G687 D688 I689 L693 C694 R711 I714 L715G687-A691 WeakPolarHBondContact O-CB 3.18Å; G687-A691 PolarHBondContact O-N 2.82Å; G687-A691 VanDerWaalsContact O-N 3.12Å; D688-A691 PolarHBondContact O-N 3.25Å; I689-A691 VanDerWaalsContact C-N 3.27Å; I689-A691 PolarHBondContact O-N 3.48Å; A691-L693 PolarHBondContact O-N 3.23Å; A691-C694 PolarHBondContact O-N 3.49Å; A691-R711 PolarHBondContact O-NH1 2.86Å; A691-I714 HydrophobicContact CB-CG2 4.2Å; A691-L715 HydrophobicContact CB-CD2 3.77Å; A691-L715 HydrophobicContact CB-CG 3.99Å
692S84.2Confident87.6Confident72 Ų7222.5 Ų22.550%0.50312%0.116SC..Hα-helixtrans-67.8-30.9-176.269.50000114.4D688 I689D688-S692 PolarHBondContact O-N 3.01Å; I689-S692 PolarHBondContact O-N 3.2Å; I689-S692 VanDerWaalsContact O-N 3.08Å; I689-S692 PolarHBondContact O-OG 2.96Å
693L85.4Confident87.5Confident9 Ų926.6 Ų26.65%0.04714%0.138CC..Hα-helixtrans-79.1-26176.7-66.2-177.4000114.1C665 I689 A691 L950 N952 Q953C665-L693 HydrophobicContact CB-CD1 4.29Å; I689-L693 HydrophobicContact CG2-CD1 3.6Å; I689-L693 HydrophobicContact CG2-CG 3.96Å; I689-L693 WeakPolarHBondContact O-CG 3.42Å; I689-L693 PolarHBondContact O-N 3.21Å; A691-L693 PolarHBondContact O-N 3.23Å; L693-L950 HydrophobicContact CD1-CB 4.46Å; L693-L950 HydrophobicContact CD2-CB 4.24Å; L693-N952 PolarHBondContact O-N 3.31Å; L693-Q953 PolarHBondContact O-N 3.18Å; L693-Q953 VanDerWaalsContact O-N 3.15Å
694C89.9Confident87.5Confident5 Ų528.2 Ų28.23%0.03415%0.147CC..EExtended strand (participates in β ladder)trans-80135.7-178.8-67.30000113L690 A691 L706 R711 Q953 F955L690-C694 WeakPolarHBondContact O-CB 3.23Å; L690-C694 PolarHBondContact O-N 3.33Å; L690-C694 PolarHBondContact O-SG 2.93Å; A691-C694 PolarHBondContact O-N 3.49Å; C694-L706 HydrophobicContact CB-CD2 3.79Å; C694-R711 PolarHBondContact O-NH2 2.89Å; C694-Q953 CarbonylContact C-O 3.47Å; C694-Q953 WeakPolarHBondContact CA-O 3.16Å; C694-Q953 WeakPolarHBondContact CB-O 3.47Å; C694-F955 HydrophobicContact CB-CB 4.16Å
695S87.6Confident87.5Confident33 Ų3332.7 Ų32.723%0.23118%0.176CC..EExtended strand (participates in β ladder)trans-101.7-23.5168.251.50000112.7L706 N952 Q953S695-L706 VanDerWaalsContact O-CB 3.3Å; S695-L706 WeakPolarHBondContact O-CB 3.36Å; S695-L706 PolarHBondContact O-N 2.84Å; S695-N952 WeakPolarHBondContact OG-CA 3.39Å; S695-N952 WeakPolarHBondContact OG-CB 3.23Å; S695-Q953 PolarHBondContact N-O 2.97Å
696D92.5Very high87.6Confident44 Ų4433.4 Ų33.424%0.23518%0.18CC..EExtended strand (participates in β ladder)trans-138.8171-168.8-59.4-84.2000111.9I703 V704 P705 Q953 I954 F955D696-I703 HydrophobicContact CB-CG2 3.62Å; D696-V704 CarbonylContact C-O 3.48Å; D696-V704 WeakPolarHBondContact CA-O 3.48Å; D696-P705 WeakPolarHBondContact OD1-CA 3.25Å; D696-Q953 PolarHBondContact N-O 2.89Å; D696-I954 HydrophobicContact CB-CG1 4.05Å; D696-I954 WeakPolarHBondContact O-CA 3.45Å; D696-F955 PolarHBondContact O-N 2.97Å
697I92Very high87.7Confident0 Ų035.6 Ų35.60%020%0.195CC..EExtended strand (participates in β ladder)trans-130.9141.8-178.8-57.5162.1000108.9F419 I703 V704 L706 E710F419-I697 HydrophobicContact CB-CG2 3.57Å; F419-I697 HydrophobicContact CD2-CD1 4.46Å; F419-I697 HydrophobicContact CD2-CG2 3.47Å; F419-I697 VanDerWaalsContact CD2-CG2 3.47Å; F419-I697 HydrophobicContact CE2-CD1 4.4Å; F419-I697 HydrophobicContact CE2-CG2 4.3Å; F419-I697 HydrophobicContact CG-CG2 3.69Å; I697-I703 WeakPolarHBondContact O-CA 3.47Å; I697-V704 PolarHBondContact N-O 3.33Å; I697-V704 PolarHBondContact O-N 3.46Å; I697-L706 HydrophobicContact CD1-CB 4.31Å; I697-L706 HydrophobicContact CD1-CD1 3.68Å; I697-L706 HydrophobicContact CG1-CB 4Å; I697-L706 HydrophobicContact CG1-CD1 3.8Å; I697-L706 HydrophobicContact CG1-CG 4.42Å; I697-E710 HydrophobicContact CD1-CB 3.79Å; I697-E710 HydrophobicContact CD1-CG 4.11Å
698W92.2Very high87.9Confident56 Ų5641.3 Ų41.321%0.21223%0.226CC..EExtended strand (participates in β ladder)trans-83.7112.9164.1179.2-121.1000111S546 G700 R701 D702 I703 I954 F955 L956S546-W698 PolarHBondContact O-NE1 3.37Å; W698-G700 VanDerWaalsContact C-N 3.26Å; W698-G700 PolarHBondContact O-N 3.24Å; W698-R701 VanDerWaalsContact CH2-C 3.47Å; W698-R701 WeakPolarHBondContact CH2-O 3.43Å; W698-R701 WeakPolarHBondContact CZ3-O 3.38Å; W698-D702 VanDerWaalsContact CE3-O 3.32Å; W698-I703 HydrophobicContact CE3-CG1 4.07Å; W698-I703 HydrophobicContact CZ3-CG1 4.35Å; W698-I954 HydrophobicContact CB-CG2 4.07Å; W698-F955 PolarHBondContact N-O 2.88Å; W698-L956 HydrophobicContact CB-CD2 3.88Å; W698-L956 HydrophobicContact CG-CD2 4.36Å
699D88Confident88.1Confident1 Ų148.1 Ų48.11%0.00525%0.249CC..  trans-85.24.5179.990.5-4.5000113.9H420 R421 V517 R701 D702 V704H420-D699 CarbonylContact C-O 3.49Å; H420-D699 VanDerWaalsContact CA-O 3.25Å; H420-D699 WeakPolarHBondContact CA-O 3.19Å; R421-D699 HydrophobicContact CB-CB 4.28Å; R421-D699 VanDerWaalsContact CB-OD2 3.31Å; R421-D699 WeakPolarHBondContact CB-OD2 3.29Å; R421-D699 VanDerWaalsContact CD-OD2 3.28Å; R421-D699 WeakPolarHBondContact CD-OD2 3.48Å; R421-D699 WeakPolarHBondContact CG-OD2 3.33Å; R421-D699 IonicContact CZ-OD2 3.22Å; R421-D699 PolarHBondContact N-O 2.82Å; R421-D699 IonicContact NE-OD2 3.73Å; R421-D699 IonicContact NH1-OD1 3.4Å; R421-D699 IonicContact NH1-OD2 3.62Å; R421-D699 PolarHBondContact NH1-OD2 2.9Å; V517-D699 HydrophobicContact CG1-CB 4.27Å; V517-D699 HydrophobicContact CG2-CB 3.91Å; D699-R701 VanDerWaalsContact C-N 3.34Å; D699-R701 WeakPolarHBondContact OD1-CA 3.45Å; D699-R701 PolarHBondContact OD1-N 2.89Å; D699-D702 PolarHBondContact N-O 2.91Å; D699-D702 PolarHBondContact OD1-N 3.36Å; D699-V704 HydrophobicContact CB-CG2 4.01Å
700G86Confident88.4Confident1 Ų148.4 Ų48.41%0.0125%0.25CS..SBendtrans85.8-2.9-173.700000114.7S546 S547 W698S546-G700 WeakPolarHBondContact CB-O 3.3Å; S546-G700 PolarHBondContact OG-O 2.78Å; S547-G700 VanDerWaalsContact OG-CA 3.31Å; S547-G700 WeakPolarHBondContact OG-CA 3.47Å; W698-G700 VanDerWaalsContact C-N 3.26Å; W698-G700 PolarHBondContact O-N 3.24Å
701R87.2Confident88.5Confident116 Ų11651.3 Ų51.344%0.43826%0.261SS..SBendtrans-139.5-44.1168.2-74.3-162.5-83-171.1174.1113.3H423 W698 D699H423-R701 PolarHBondContact CD2-NH1 3.31Å; H423-R701 VanDerWaalsContact CD2-NH1 3.31Å; H423-R701 PolarHBondContact CE1-NH2 2.94Å; H423-R701 PolarHBondContact NE2-NH1 2.98Å; W698-R701 VanDerWaalsContact CH2-C 3.47Å; W698-R701 WeakPolarHBondContact CH2-O 3.43Å; W698-R701 WeakPolarHBondContact CZ3-O 3.38Å; D699-R701 VanDerWaalsContact C-N 3.34Å; D699-R701 WeakPolarHBondContact OD1-CA 3.45Å; D699-R701 PolarHBondContact OD1-N 2.89Å
702D88.3Confident88.6Confident81 Ų8158 Ų5843%0.43329%0.292SS..SBendtrans-122.4167176.9-62.6-43.5000111.2R421 W698 D699R421-D702 IonicContact CZ-OD2 2.67Å; R421-D702 VanDerWaalsContact CZ-OD2 3.27Å; R421-D702 IonicContact NH1-OD2 2.68Å; R421-D702 PolarHBondContact NH1-OD2 3Å; R421-D702 IonicContact NH2-OD2 3.38Å; R421-D702 PolarHBondContact NH2-OD2 2.98Å; W698-D702 VanDerWaalsContact CE3-O 3.32Å; D699-D702 PolarHBondContact N-O 2.91Å; D699-D702 PolarHBondContact OD1-N 3.36Å
703I88.4Confident88.9Confident93 Ų9357.2 Ų57.248%0.47728%0.282SS..EExtended strand (participates in β ladder)trans-89.4131.4166.8-61.1161.2000107.8D696 I697 W698 I954D696-I703 HydrophobicContact CB-CG2 3.62Å; I697-I703 WeakPolarHBondContact O-CA 3.47Å; W698-I703 HydrophobicContact CE3-CG1 4.07Å; W698-I703 HydrophobicContact CZ3-CG1 4.35Å; I703-I954 HydrophobicContact CD1-CD1 3.64Å; I703-I954 HydrophobicContact CG1-CD1 4.1Å; I703-I954 HydrophobicContact CG2-CD1 4.24Å; I703-I954 HydrophobicContact CG2-CG1 4.03Å; I703-I954 HydrophobicContact CG2-CG2 4.36Å
704V89.2Confident89.2Confident34 Ų3456.8 Ų56.821%0.20628%0.28CS..EExtended strand (participates in β ladder)trans-129.7134.8-175-177.50000109.5V517 D696 I697 D699 L706V517-V704 HydrophobicContact CG2-CB 4.32Å; V517-V704 HydrophobicContact CG2-CG1 4.06Å; V517-V704 HydrophobicContact CG2-CG2 4.1Å; D696-V704 CarbonylContact C-O 3.48Å; D696-V704 WeakPolarHBondContact CA-O 3.48Å; I697-V704 PolarHBondContact N-O 3.33Å; I697-V704 PolarHBondContact O-N 3.46Å; D699-V704 HydrophobicContact CB-CG2 4.01Å; V704-L706 PolarHBondContact O-N 3.01Å
705P89.7Confident89.1Confident93 Ų9359.1 Ų59.160%0.60429%0.292SS*.EExtended strand (participates in β ladder)trans-61.9136.2-179.224-34.6000112.6D696 S707D696-P705 WeakPolarHBondContact OD1-CA 3.25Å; P705-S707 PolarHBondContact O-N 2.88Å
706L88.1Confident89Confident16 Ų1658.6 Ų58.68%0.08429%0.291CS..  trans-73.5101.7-175.9173.554.1000111C694 S695 I697 V704 E710 R711 I714C694-L706 HydrophobicContact CB-CD2 3.79Å; S695-L706 VanDerWaalsContact O-CB 3.3Å; S695-L706 WeakPolarHBondContact O-CB 3.36Å; S695-L706 PolarHBondContact O-N 2.84Å; I697-L706 HydrophobicContact CD1-CB 4.31Å; I697-L706 HydrophobicContact CD1-CD1 3.68Å; I697-L706 HydrophobicContact CG1-CB 4Å; I697-L706 HydrophobicContact CG1-CD1 3.8Å; I697-L706 HydrophobicContact CG1-CG 4.42Å; V704-L706 PolarHBondContact O-N 3.01Å; L706-E710 HydrophobicContact CD1-CB 3.72Å; L706-R711 HydrophobicContact CD1-CB 4.21Å; L706-R711 HydrophobicContact CG-CB 4.39Å; L706-I714 HydrophobicContact CD1-CD1 3.8Å; L706-I714 HydrophobicContact CD2-CD1 4.29Å
707S88.9Confident88.9Confident49 Ų4956.9 Ų56.934%0.34328%0.282SS..  trans-70.8156.1175.1720000112.3P705 R709 E710 R711P705-S707 PolarHBondContact O-N 2.88Å; S707-R709 PolarHBondContact O-N 2.84Å; S707-E710 VanDerWaalsContact CB-OE2 3.3Å; S707-E710 WeakPolarHBondContact CB-OE2 3.34Å; S707-E710 PolarHBondContact N-OE2 2.63Å; S707-E710 VanDerWaalsContact N-OE2 3.16Å; S707-E710 PolarHBondContact O-N 2.85Å; S707-E710 VanDerWaalsContact OG-CD 3.29Å; S707-E710 WeakPolarHBondContact OG-CG 3.37Å; S707-E710 PolarHBondContact OG-N 3Å; S707-E710 PolarHBondContact OG-OE2 3.37Å; S707-R711 PolarHBondContact O-N 2.9Å
708D87.4Confident88.6Confident121 Ų12156.9 Ų56.965%0.64728%0.282SS*.Hα-helixtrans-58.9-33.6177.9-62.4-51.3000112.4E710 R711 E712D708-E710 VanDerWaalsContact C-N 3.34Å; D708-E710 PolarHBondContact O-N 3.14Å; D708-R711 WeakPolarHBondContact O-CB 3.34Å; D708-R711 PolarHBondContact O-N 2.8Å; D708-R711 IonicContact OD1-NE 3.81Å; D708-E712 WeakPolarHBondContact O-CG 3.31Å; D708-E712 PolarHBondContact O-N 3.13Å
709R87.5Confident88.2Confident177 Ų17758.9 Ų58.967%0.66830%0.297SS*.Hα-helixtrans-63.8-36.6173.5-177.3-176.9178.1-166.40.8112.7S707 L713S707-R709 PolarHBondContact O-N 2.84Å; R709-L713 WeakPolarHBondContact O-CG 3.45Å; R709-L713 PolarHBondContact O-N 3.46Å
710E89.5Confident87.9Confident14 Ų1466.4 Ų66.47%0.06533%0.325CS..Hα-helixtrans-78.4-33.4177.7-71.5156.6143.900111F419 I697 L706 S707 D708 L713 I714F419-E710 HydrophobicContact CE1-CB 4.2Å; F419-E710 HydrophobicContact CE1-CG 3.98Å; F419-E710 HydrophobicContact CZ-CB 3.99Å; F419-E710 HydrophobicContact CZ-CG 4.29Å; I697-E710 HydrophobicContact CD1-CB 3.79Å; I697-E710 HydrophobicContact CD1-CG 4.11Å; L706-E710 HydrophobicContact CD1-CB 3.72Å; S707-E710 VanDerWaalsContact CB-OE2 3.3Å; S707-E710 WeakPolarHBondContact CB-OE2 3.34Å; S707-E710 PolarHBondContact N-OE2 2.63Å; S707-E710 VanDerWaalsContact N-OE2 3.16Å; S707-E710 PolarHBondContact O-N 2.85Å; S707-E710 VanDerWaalsContact OG-CD 3.29Å; S707-E710 WeakPolarHBondContact OG-CG 3.37Å; S707-E710 PolarHBondContact OG-N 3Å; S707-E710 PolarHBondContact OG-OE2 3.37Å; D708-E710 VanDerWaalsContact C-N 3.34Å; D708-E710 PolarHBondContact O-N 3.14Å; E710-L713 WeakPolarHBondContact O-CB 3.21Å; E710-L713 PolarHBondContact O-N 2.81Å; E710-L713 VanDerWaalsContact O-N 3.11Å; E710-I714 WeakPolarHBondContact O-CG1 3.43Å; E710-I714 PolarHBondContact O-N 2.81Å
711R90.2Very high87.8Confident61 Ų6167.7 Ų67.723%0.2333%0.331CS..Hα-helixtrans-59.9-44.1169.3-174.7-178.3-65.4-77.2-13.2111.4A691 C694 L706 S707 D708 L713 I714 L715A691-R711 PolarHBondContact O-NH1 2.86Å; C694-R711 PolarHBondContact O-NH2 2.89Å; L706-R711 HydrophobicContact CD1-CB 4.21Å; L706-R711 HydrophobicContact CG-CB 4.39Å; S707-R711 PolarHBondContact O-N 2.9Å; D708-R711 WeakPolarHBondContact O-CB 3.34Å; D708-R711 PolarHBondContact O-N 2.8Å; D708-R711 IonicContact OD1-NE 3.81Å; R711-L713 VanDerWaalsContact C-N 3.33Å; R711-L713 PolarHBondContact O-N 3.44Å; R711-I714 PolarHBondContact O-N 3.48Å; R711-L715 HydrophobicContact CG-CD1 4.37Å; R711-L715 WeakPolarHBondContact O-CB 3.42Å; R711-L715 WeakPolarHBondContact O-CG 3.2Å; R711-L715 PolarHBondContact O-N 3.46Å
712E88.8Confident87.2Confident141 Ų14164.7 Ų64.766%0.65932%0.323SS*.Hα-helixtrans-60.5-36.7170.4-76.5179.6168.900113D708 G716D708-E712 WeakPolarHBondContact O-CG 3.31Å; D708-E712 PolarHBondContact O-N 3.13Å; E712-G716 WeakPolarHBondContact O-CA 3.35Å; E712-G716 PolarHBondContact O-N 3.45Å
713L90.9Very high86.4Confident56 Ų5662.8 Ų62.829%0.29332%0.316SS..Hα-helixtrans-70.2-39.2177.1-72.6167.9000112.5F417 P519 R709 E710 R711 F717F417-L713 HydrophobicContact CZ-CB 4.44Å; P519-L713 HydrophobicContact CG-CD1 4.14Å; R709-L713 WeakPolarHBondContact O-CG 3.45Å; R709-L713 PolarHBondContact O-N 3.46Å; E710-L713 WeakPolarHBondContact O-CB 3.21Å; E710-L713 PolarHBondContact O-N 2.81Å; E710-L713 VanDerWaalsContact O-N 3.11Å; R711-L713 VanDerWaalsContact C-N 3.33Å; R711-L713 PolarHBondContact O-N 3.44Å; L713-F717 PolarHBondContact O-N 3.24Å
714I90.6Very high86Confident0 Ų059.4 Ų59.40%030%0.301CS..Hα-helixtrans-61.3-56.3173.5-66.8166000109.8F417 F419 A691 L706 E710 R711 G716 F717 H718 F955 L958F417-I714 HydrophobicContact CE1-CG1 4.05Å; F419-I714 HydrophobicContact CE2-CD1 4.02Å; F419-I714 HydrophobicContact CE2-CG1 3.8Å; F419-I714 HydrophobicContact CZ-CD1 4.48Å; F419-I714 HydrophobicContact CZ-CG1 4.08Å; A691-I714 HydrophobicContact CB-CG2 4.2Å; L706-I714 HydrophobicContact CD1-CD1 3.8Å; L706-I714 HydrophobicContact CD2-CD1 4.29Å; E710-I714 WeakPolarHBondContact O-CG1 3.43Å; E710-I714 PolarHBondContact O-N 2.81Å; R711-I714 PolarHBondContact O-N 3.48Å; I714-G716 VanDerWaalsContact C-N 3.32Å; I714-G716 PolarHBondContact O-N 3.03Å; I714-F717 PolarHBondContact O-N 3.16Å; I714-H718 PolarHBondContact O-N 3.31Å; I714-F955 HydrophobicContact CD1-CD1 3.88Å; I714-F955 HydrophobicContact CD1-CD2 4Å; I714-F955 HydrophobicContact CD1-CE1 4.03Å; I714-F955 HydrophobicContact CD1-CE2 4.15Å; I714-F955 HydrophobicContact CD1-CG 3.86Å; I714-F955 HydrophobicContact CD1-CZ 4.16Å; I714-F955 HydrophobicContact CG1-CD1 4.32Å; I714-F955 HydrophobicContact CG1-CE1 3.95Å; I714-F955 HydrophobicContact CG1-CE2 4.24Å; I714-F955 HydrophobicContact CG1-CZ 3.9Å; I714-F955 HydrophobicContact CG2-CE2 3.87Å; I714-F955 HydrophobicContact CG2-CZ 4.1Å; I714-L958 HydrophobicContact CG2-CD1 3.89Å
715L88.2Confident85.6Confident54 Ų5457.8 Ų57.828%0.28329%0.291SS..Hα-helixtrans-61.3-40.6179.1-69.1172.7000111.5D688 A691 R711 F717 H718 N719D688-L715 HydrophobicContact CB-CD2 4.48Å; A691-L715 HydrophobicContact CB-CD2 3.77Å; A691-L715 HydrophobicContact CB-CG 3.99Å; R711-L715 HydrophobicContact CG-CD1 4.37Å; R711-L715 WeakPolarHBondContact O-CB 3.42Å; R711-L715 WeakPolarHBondContact O-CG 3.2Å; R711-L715 PolarHBondContact O-N 3.46Å; L715-F717 PolarHBondContact O-N 3.3Å; L715-H718 PolarHBondContact O-N 3.25Å; L715-N719 VanDerWaalsContact O-CB 3.31Å; L715-N719 WeakPolarHBondContact O-CB 3.27Å; L715-N719 PolarHBondContact O-N 2.92Å
716G86Confident85.3Confident22 Ų2254.2 Ų54.223%0.22727%0.265CS..Hα-helixtrans-62.9-40.3175.200000112.7E712 I714 R720E712-G716 WeakPolarHBondContact O-CA 3.35Å; E712-G716 PolarHBondContact O-N 3.45Å; I714-G716 VanDerWaalsContact C-N 3.32Å; I714-G716 PolarHBondContact O-N 3.03Å; G716-R720 WeakPolarHBondContact O-CB 3.31Å; G716-R720 VanDerWaalsContact O-CG 3.32Å; G716-R720 WeakPolarHBondContact O-CG 3.33Å; G716-R720 PolarHBondContact O-N 3.07Å; G716-R720 PolarHBondContact O-NE 3.22Å; G716-R720 PolarHBondContact O-NH2 3.26Å
717F88.9Confident85.1Confident8 Ų853.8 Ų53.84%0.03526%0.264CS..Hα-helixtrans-64.6-46.8172.4-174.6-85.4000111.2K415 F417 V521 L713 I714 L715 H721 L958K415-F717 HydrophobicContact CB-CZ 4.32Å; F417-F717 HydrophobicContact CB-CD1 4.02Å; F417-F717 HydrophobicContact CB-CD2 3.78Å; F417-F717 HydrophobicContact CB-CE1 3.96Å; F417-F717 HydrophobicContact CB-CE2 3.71Å; F417-F717 HydrophobicContact CB-CG 3.94Å; F417-F717 HydrophobicContact CB-CZ 3.81Å; F417-F717 HydrophobicContact CD2-CB 4.18Å; F417-F717 AromaticContact CD2-CD2 3.73Å; F417-F717 HydrophobicContact CD2-CD2 3.73Å; F417-F717 HydrophobicContact CD2-CE2 4.37Å; F417-F717 HydrophobicContact CD2-CG 4.01Å; F417-F717 HydrophobicContact CE2-CB 4.39Å; F417-F717 HydrophobicContact CG-CB 4.3Å; F417-F717 HydrophobicContact CG-CD1 4.34Å; F417-F717 AromaticContact CG-CD2 3.93Å; F417-F717 HydrophobicContact CG-CD2 3.93Å; F417-F717 HydrophobicContact CG-CE2 4.37Å; F417-F717 AromaticContact CG-CG 3.92Å; F417-F717 HydrophobicContact CG-CG 3.92Å; V521-F717 HydrophobicContact CG1-CE2 4.46Å; V521-F717 HydrophobicContact CG2-CD2 4.38Å; V521-F717 HydrophobicContact CG2-CE2 4.08Å; L713-F717 PolarHBondContact O-N 3.24Å; I714-F717 PolarHBondContact O-N 3.16Å; L715-F717 PolarHBondContact O-N 3.3Å; F717-H721 AromaticContact CD1-ND1 3.8Å; F717-H721 AromaticContact CD2-CE1 3.71Å; F717-H721 AromaticContact CD2-ND1 3.94Å; F717-H721 AromaticContact CE1-CE1 3.95Å; F717-H721 AromaticContact CE1-ND1 3.64Å; F717-H721 AromaticContact CE2-CE1 3.29Å; F717-H721 WeakPolarHBondContact CE2-CE1 3.36Å; F717-H721 AromaticContact CE2-ND1 3.78Å; F717-H721 AromaticContact CG-ND1 3.96Å; F717-H721 AromaticContact CZ-CE1 3.43Å; F717-H721 VanDerWaalsContact CZ-CE1 3.43Å; F717-H721 WeakPolarHBondContact CZ-CE1 3.15Å; F717-H721 AromaticContact CZ-ND1 3.62Å; F717-H721 PolarHBondContact O-N 3.25Å; F717-H721 PolarHBondContact O-ND1 3.04Å; F717-L958 HydrophobicContact CB-CD1 4.5Å; F717-L958 HydrophobicContact CD1-CB 4.02Å; F717-L958 HydrophobicContact CD1-CD1 4.01Å; F717-L958 HydrophobicContact CE1-CB 4.1Å
718H86.4Confident85.1Confident0 Ų051.5 Ų51.50%025%0.248CC..Hα-helixtrans-59.4-55179.9-174.556.3000111.7G687 I714 L715 R720 H721 L722 C727G687-H718 PolarHBondContact N-CE1 2.84Å; G687-H718 VanDerWaalsContact N-CE1 3.31Å; G687-H718 PolarHBondContact N-NE2 2.71Å; I714-H718 PolarHBondContact O-N 3.31Å; L715-H718 PolarHBondContact O-N 3.25Å; H718-R720 VanDerWaalsContact C-N 3.3Å; H718-R720 PolarHBondContact O-N 2.99Å; H718-H721 PolarHBondContact O-N 2.68Å; H718-L722 WeakPolarHBondContact O-CB 3.4Å; H718-L722 PolarHBondContact O-N 3.26Å; H718-C727 PolarHBondContact ND1-SG 3.16Å; H718-C727 VanDerWaalsContact ND1-SG 3.41Å
719N84.3Confident85.2Confident98 Ų9845.8 Ų45.852%0.52422%0.217SC..Hα-helixtrans-63.7-32.1-175.5-66-8.5000113L715L715-N719 VanDerWaalsContact O-CB 3.31Å; L715-N719 WeakPolarHBondContact O-CB 3.27Å; L715-N719 PolarHBondContact O-N 2.92Å
720R82.2Confident85.4Confident160 Ų16037.3 Ų37.360%0.60419%0.185SC*.Hα-helixtrans-67.7-32.1173.4-78.6177.3-69.1-150.9-3.1113.2G716 H718 S724G716-R720 WeakPolarHBondContact O-CB 3.31Å; G716-R720 VanDerWaalsContact O-CG 3.32Å; G716-R720 WeakPolarHBondContact O-CG 3.33Å; G716-R720 PolarHBondContact O-N 3.07Å; G716-R720 PolarHBondContact O-NE 3.22Å; G716-R720 PolarHBondContact O-NH2 3.26Å; H718-R720 VanDerWaalsContact C-N 3.3Å; H718-R720 PolarHBondContact O-N 2.99Å; R720-S724 PolarHBondContact O-OG 3.43Å
721H82.5Confident85.6Confident27 Ų2736.7 Ų36.713%0.12518%0.182CC..Hα-helixtrans-97.4-27.3-177.4-66.890.3000113.5F717 H718 S723 S724 A725 S960F717-H721 AromaticContact CD1-ND1 3.8Å; F717-H721 AromaticContact CD2-CE1 3.71Å; F717-H721 AromaticContact CD2-ND1 3.94Å; F717-H721 AromaticContact CE1-CE1 3.95Å; F717-H721 AromaticContact CE1-ND1 3.64Å; F717-H721 AromaticContact CE2-CE1 3.29Å; F717-H721 WeakPolarHBondContact CE2-CE1 3.36Å; F717-H721 AromaticContact CE2-ND1 3.78Å; F717-H721 AromaticContact CG-ND1 3.96Å; F717-H721 AromaticContact CZ-CE1 3.43Å; F717-H721 VanDerWaalsContact CZ-CE1 3.43Å; F717-H721 WeakPolarHBondContact CZ-CE1 3.15Å; F717-H721 AromaticContact CZ-ND1 3.62Å; F717-H721 PolarHBondContact O-N 3.25Å; F717-H721 PolarHBondContact O-ND1 3.04Å; H718-H721 PolarHBondContact O-N 2.68Å; H721-S723 PolarHBondContact O-N 3.1Å; H721-S723 VanDerWaalsContact O-N 3.12Å; H721-S724 PolarHBondContact O-N 2.89Å; H721-S724 PolarHBondContact O-OG 3.24Å; H721-A725 HydrophobicContact CB-CB 4.39Å; H721-A725 WeakPolarHBondContact O-CA 3.43Å; H721-A725 WeakPolarHBondContact O-CB 3.36Å; H721-A725 PolarHBondContact O-N 2.88Å; H721-S960 PolarHBondContact CD2-OG 3.42Å
722L75.5Confident85.7Confident53 Ų5336.6 Ų36.628%0.27718%0.182SC..Hα-helixtrans-56.1-33.3-177-177.562.5000113.4H718H718-L722 WeakPolarHBondContact O-CB 3.4Å; H718-L722 PolarHBondContact O-N 3.26Å
723S72.1Confident85.6Confident41 Ų4130.3 Ų30.329%0.28715%0.154SC..THydrogen-bonded Turntrans-78.9-23.3179.359.80000114.6H721 L992 R993H721-S723 PolarHBondContact O-N 3.1Å; H721-S723 VanDerWaalsContact O-N 3.12Å; S723-L992 VanDerWaalsContact O-CB 3.31Å; S723-L992 WeakPolarHBondContact O-CB 3.19Å; S723-R993 PolarHBondContact O-N 2.93Å
724S79Confident85.3Confident22 Ų2230.1 Ų30.115%0.15416%0.156CC..THydrogen-bonded Turntrans-120.3-11.4-169540000114.1R720 H721R720-S724 PolarHBondContact O-OG 3.43Å; H721-S724 PolarHBondContact O-N 2.89Å; H721-S724 PolarHBondContact O-OG 3.24Å
725A81.1Confident84.6Confident0 Ų030.2 Ų30.20%016%0.156CC..SBendtrans-148.6-176-172.700000110.7H721 S960 Q962 R993H721-A725 HydrophobicContact CB-CB 4.39Å; H721-A725 WeakPolarHBondContact O-CA 3.43Å; H721-A725 WeakPolarHBondContact O-CB 3.36Å; H721-A725 PolarHBondContact O-N 2.88Å; A725-S960 WeakPolarHBondContact CB-OG 3.41Å; A725-Q962 HydrophobicContact CB-CG 3.55Å; A725-R993 PolarHBondContact O-NH2 2.96Å
726Y82.5Confident83.4Confident18 Ų1831.7 Ų31.77%0.07117%0.168CC..EExtended strand (participates in β ladder)trans-102.5136.8162-61.4-81.8000108.3P411 L591 S960 M961 Y963 E989 R993P411-Y726 HydrophobicContact CB-CD2 4.47Å; P411-Y726 HydrophobicContact CG-CD2 4.48Å; L591-Y726 HydrophobicContact CB-CD1 3.44Å; L591-Y726 VanDerWaalsContact CB-CD1 3.44Å; L591-Y726 HydrophobicContact CB-CE1 3.2Å; L591-Y726 HydrophobicContact CB-CE2 4.48Å; L591-Y726 HydrophobicContact CB-CG 4.15Å; L591-Y726 HydrophobicContact CD2-CD1 4.3Å; L591-Y726 HydrophobicContact CD2-CD2 4.05Å; L591-Y726 HydrophobicContact CD2-CE1 4.11Å; L591-Y726 HydrophobicContact CD2-CE2 3.87Å; L591-Y726 HydrophobicContact CD2-CG 4.25Å; L591-Y726 HydrophobicContact CG-CE1 4.2Å; Y726-S960 CarbonylContact O-C 3.44Å; Y726-S960 WeakPolarHBondContact O-CA 3.22Å; Y726-M961 PolarHBondContact N-O 2.69Å; Y726-M961 PolarHBondContact O-N 2.75Å; Y726-Y963 HydrophobicContact CE2-CE2 4.24Å; Y726-E989 PolarHBondContact OH-OE1 3.04Å; Y726-R993 VanDerWaalsContact CE1-NH1 3.28Å; Y726-R993 VanDerWaalsContact CZ-CZ 3.48Å; Y726-R993 PolarHBondContact OH-NH1 3.26Å
727C85.4Confident81.9Confident7 Ų738.5 Ų38.55%0.04720%0.199CC..EExtended strand (participates in β ladder)trans-133.4121.5-172.8-172.40000111.2H718 I959H718-C727 PolarHBondContact ND1-SG 3.16Å; H718-C727 VanDerWaalsContact ND1-SG 3.41Å; C727-I959 WeakPolarHBondContact CA-O 3.44Å
728I87.5Confident80.1Confident2 Ų242.8 Ų42.81%0.0122%0.217CC..EExtended strand (participates in β ladder)trans-127.4127.6-173.9-63.2174000108.8L593 Q684 F730 L958 I959 M961L593-I728 HydrophobicContact CD1-CD1 3.64Å; L593-I728 HydrophobicContact CG-CD1 3.65Å; Q684-I728 HydrophobicContact CG-CG2 3.5Å; Q684-I728 VanDerWaalsContact CG-CG2 3.5Å; I728-F730 HydrophobicContact CG2-CE2 4.11Å; I728-F730 HydrophobicContact CG2-CZ 3.97Å; I728-L958 CarbonylContact O-C 3.58Å; I728-L958 WeakPolarHBondContact O-CA 3.42Å; I728-I959 PolarHBondContact N-O 3.36Å; I728-I959 PolarHBondContact O-N 3.23Å; I728-M961 HydrophobicContact CD1-SD 4.36Å
729G89.7Confident78.5Confident0 Ų046 Ų460%023%0.234CC..EExtended strand (participates in β ladder)trans-102.3164.2175.700000113.4Q684 G685 L690 G957 L958Q684-G729 VanDerWaalsContact CA-O 3.31Å; Q684-G729 WeakPolarHBondContact CA-O 3.33Å; G685-G729 PolarHBondContact N-O 2.77Å; G685-G729 VanDerWaalsContact N-O 3.09Å; G685-G729 PolarHBondContact O-N 2.83Å; L690-G729 VanDerWaalsContact CD1-CA 3.48Å; L690-G729 WeakPolarHBondContact CD1-O 3.45Å; G729-G957 CarbonylContact C-O 3.6Å; G729-G957 VanDerWaalsContact CA-O 3.27Å; G729-G957 WeakPolarHBondContact CA-O 3.35Å; G729-L958 VanDerWaalsContact CA-CD2 3.49Å
730F93.2Very high76.9Confident0 Ų048.7 Ų48.70%024%0.243CC..EExtended strand (participates in β ladder)trans-134.6136.5-179.7-59.1-90.7000110.4I551 I555 S683 Q684 I728 L956 G957 I959I551-F730 HydrophobicContact CG2-CB 4.49Å; I551-F730 HydrophobicContact CG2-CD2 3.93Å; I551-F730 HydrophobicContact CG2-CE2 4.4Å; I551-F730 HydrophobicContact CG2-CG 4.13Å; I555-F730 HydrophobicContact CD1-CZ 4.35Å; I555-F730 HydrophobicContact CG1-CE1 3.82Å; I555-F730 HydrophobicContact CG1-CZ 3.86Å; S683-F730 WeakPolarHBondContact O-CA 3.23Å; Q684-F730 HydrophobicContact CB-CD1 4.37Å; Q684-F730 HydrophobicContact CB-CE1 4.43Å; Q684-F730 HydrophobicContact CG-CD1 4.19Å; Q684-F730 HydrophobicContact CG-CE1 3.86Å; Q684-F730 HydrophobicContact CG-CZ 4.39Å; I728-F730 HydrophobicContact CG2-CE2 4.11Å; I728-F730 HydrophobicContact CG2-CZ 3.97Å; F730-L956 HydrophobicContact CB-CB 4.36Å; F730-L956 WeakPolarHBondContact O-CB 3.34Å; F730-L956 PolarHBondContact O-N 3.45Å; F730-G957 PolarHBondContact N-O 2.98Å; F730-G957 PolarHBondContact O-N 3.38Å; F730-I959 HydrophobicContact CE2-CB 4.34Å; F730-I959 HydrophobicContact CE2-CD1 3.68Å; F730-I959 HydrophobicContact CE2-CG1 3.89Å; F730-I959 HydrophobicContact CZ-CD1 4.26Å
731A92.6Very high75.5Confident0 Ų048.8 Ų48.80%025%0.251CS..EExtended strand (participates in β ladder)trans-141.6166177.200000111.1S683 L690 Q953 I954S683-A731 PolarHBondContact N-O 2.67Å; S683-A731 PolarHBondContact O-N 2.96Å; L690-A731 HydrophobicContact CD2-CB 3.98Å; A731-Q953 HydrophobicContact CB-CB 4.18Å; A731-Q953 VanDerWaalsContact CB-OE1 3.3Å; A731-I954 CarbonylContact C-O 3.53Å; A731-I954 VanDerWaalsContact CA-O 3.29Å; A731-I954 WeakPolarHBondContact CA-O 3.5Å
732Y91.8Very high73.9Confident59 Ų5949.3 Ų49.323%0.23126%0.257CS..EExtended strand (participates in β ladder)trans-142.2147.3-174.8166.3-104.5000110.4Q680 L681 L682 P734 I954Q680-Y732 HydrophobicContact CB-CE2 3.95Å; Q680-Y732 HydrophobicContact CG-CE2 4.01Å; L681-Y732 CarbonylContact O-C 3.37Å; L681-Y732 WeakPolarHBondContact O-CA 3.32Å; L681-Y732 WeakPolarHBondContact O-CD2 3.43Å; L682-Y732 HydrophobicContact CD2-CD2 3.77Å; L682-Y732 HydrophobicContact CG-CD2 4.42Å; Y732-P734 HydrophobicContact CE1-CB 4.29Å; Y732-P734 HydrophobicContact CE1-CG 4.27Å; Y732-I954 HydrophobicContact CD1-CD1 3.85Å; Y732-I954 HydrophobicContact CE1-CD1 4.21Å; Y732-I954 PolarHBondContact N-O 3.32Å; Y732-I954 WeakPolarHBondContact O-CB 3.47Å; Y732-I954 PolarHBondContact O-N 3.2Å
733S88.1Confident72.8Confident9 Ų947.5 Ų47.56%0.06325%0.247CC..EExtended strand (participates in β ladder)trans-143.4124.9167.8-164.20000111.2L681 N952L681-S733 WeakPolarHBondContact CB-O 3.22Å; L681-S733 PolarHBondContact N-O 2.97Å; L681-S733 PolarHBondContact O-N 3.07Å; S733-N952 PolarHBondContact OG-O 3.41Å
734P83.5Confident71.8Confident52 Ų5254.5 Ų54.534%0.33827%0.267SS..EExtended strand (participates in β ladder)trans-76121.5172.830.6-31.3000109.7Y732 V736 I954Y732-P734 HydrophobicContact CE1-CB 4.29Å; Y732-P734 HydrophobicContact CE1-CG 4.27Å; P734-V736 HydrophobicContact CB-CG2 4.27Å; P734-V736 PolarHBondContact O-N 2.99Å; P734-V736 VanDerWaalsContact O-N 3.11Å; P734-I954 HydrophobicContact CG-CD1 4.48Å
735L76.7Confident70.3Confident2 Ų258 Ų581%0.0128%0.284CS..  trans-89.643.3-177.1-62.2171.4000111.7V669 Y679 L681 Y743V669-L735 HydrophobicContact CG1-CD1 4.08Å; V669-L735 HydrophobicContact CG2-CD1 4.29Å; Y679-L735 PolarHBondContact O-N 3.37Å; L681-L735 HydrophobicContact CB-CD1 4.18Å; L681-L735 HydrophobicContact CB-CG 4.29Å; L735-Y743 WeakPolarHBondContact CD1-OH 3.47Å; L735-Y743 HydrophobicContact CD2-CE2 4.44Å
736V63.6Low68.9Low86 Ų8659.6 Ų59.652%0.52129%0.292SS..  trans-78.6137.9178.3-176.40000109.2P734 K738P734-V736 HydrophobicContact CB-CG2 4.27Å; P734-V736 PolarHBondContact O-N 2.99Å; P734-V736 VanDerWaalsContact O-N 3.11Å; V736-K738 PolarHBondContact O-N 2.87Å
737D53.5Low67.5Low164 Ų16460.4 Ų60.488%0.87730%0.297SS*.SBendtrans55.114.3176.2-55-24.5000117.6
738K51.8Low65.5Low98 Ų9862.9 Ų62.943%0.42632%0.324SS..  trans-100.57174.6-90.7-172.5175-178.60114.9V736 E740 N948V736-K738 PolarHBondContact O-N 2.87Å; K738-E740 PolarHBondContact O-N 3.49Å; K738-N948 PolarHBondContact NZ-O 3.38Å
739I51.5Low63.4Low67 Ų6766.8 Ų66.834%0.34435%0.345SS..  trans-97.878.5-172.5-59.4177.2000110.5Y679 Y743Y679-I739 HydrophobicContact CD2-CD1 3.3Å; Y679-I739 HydrophobicContact CE2-CD1 3.69Å; Y679-I739 HydrophobicContact CG-CD1 3.97Å; I739-Y743 HydrophobicContact CG1-CD2 4.24Å; I739-Y743 HydrophobicContact CG1-CG 4.36Å
740E51.5Low61.3Low155 Ų15569 Ų6972%0.72436%0.355SS*.  trans-68.1165.3150.7-76.6-174.1124.900109.8K738 S742 Y743K738-E740 PolarHBondContact O-N 3.49Å; E740-S742 PolarHBondContact O-N 2.85Å; E740-Y743 PolarHBondContact O-N 2.87Å
741E51.8Low58.8Low162 Ų16274.7 Ų74.776%0.75739%0.394SS*.Hα-helixtrans-58.8-21.9-176.6-68.7178.6111.100113.6Y743 R744 L745E741-Y743 PolarHBondContact O-N 3.24Å; E741-R744 CarbonylContact O-C 3.6Å; E741-R744 WeakPolarHBondContact O-CA 3.44Å; E741-R744 PolarHBondContact O-N 2.68Å; E741-L745 WeakPolarHBondContact O-CG 3.45Å; E741-L745 PolarHBondContact O-N 2.87Å
742S50.5Low56.3Low38 Ų3876.7 Ų76.727%0.26641%0.408SS..Hα-helixtrans-50.6-37.8169.249.30000113.3E740 L745 L746E740-S742 PolarHBondContact O-N 2.85Å; S742-L745 PolarHBondContact O-N 2.86Å; S742-L746 WeakPolarHBondContact O-CB 3.38Å; S742-L746 PolarHBondContact O-N 3.42Å
743Y52Low54.1Low15 Ų1578 Ų786%0.05942%0.423CS..Hα-helixtrans-72-36.1177-131.2-57.7000112L735 I739 E740 E741 L745 L746 L747 I949L735-Y743 WeakPolarHBondContact CD1-OH 3.47Å; L735-Y743 HydrophobicContact CD2-CE2 4.44Å; I739-Y743 HydrophobicContact CG1-CD2 4.24Å; I739-Y743 HydrophobicContact CG1-CG 4.36Å; E740-Y743 PolarHBondContact O-N 2.87Å; E741-Y743 PolarHBondContact O-N 3.24Å; Y743-L745 VanDerWaalsContact C-N 3.33Å; Y743-L746 PolarHBondContact O-N 2.92Å; Y743-L747 HydrophobicContact CD1-CD1 3.66Å; Y743-L747 HydrophobicContact CD1-CG 3.86Å; Y743-L747 HydrophobicContact CE1-CD1 3.77Å; Y743-L747 HydrophobicContact CE1-CD2 4.45Å; Y743-L747 HydrophobicContact CE1-CG 4.1Å; Y743-L747 WeakPolarHBondContact O-CB 3.4Å; Y743-L747 WeakPolarHBondContact O-CG 3.36Å; Y743-L747 PolarHBondContact O-N 3.37Å; Y743-I949 HydrophobicContact CD2-CD1 4.28Å; Y743-I949 HydrophobicContact CE1-CD1 4.25Å; Y743-I949 HydrophobicContact CE2-CD1 3.58Å; Y743-I949 HydrophobicContact CE2-CG1 3.63Å; Y743-I949 VanDerWaalsContact OH-CG2 3.29Å; Y743-I949 WeakPolarHBondContact OH-CG2 3.15Å
744R50.5Low52Low188 Ų18881.1 Ų81.171%0.70945%0.445SS*.Hα-helixtrans-70.9-27.9172.6-87.6-173.3173.4175.1-0.5112.4E741 G748E741-R744 CarbonylContact O-C 3.6Å; E741-R744 WeakPolarHBondContact O-CA 3.44Å; E741-R744 PolarHBondContact O-N 2.68Å; R744-G748 WeakPolarHBondContact O-CA 3.35Å; R744-G748 PolarHBondContact O-N 3.34Å
745L47.6Very low50.3Low97 Ų9781.5 Ų81.551%0.50845%0.445SS..Hα-helixtrans-75.2-43171.8-69.5164.9000111.2E741 S742 Y743 N749E741-L745 WeakPolarHBondContact O-CG 3.45Å; E741-L745 PolarHBondContact O-N 2.87Å; S742-L745 PolarHBondContact O-N 2.86Å; Y743-L745 VanDerWaalsContact C-N 3.33Å; L745-N749 VanDerWaalsContact O-CB 3.24Å; L745-N749 WeakPolarHBondContact O-CB 3.41Å; L745-N749 PolarHBondContact O-N 3.21Å; L745-N749 VanDerWaalsContact O-N 3.13Å; L745-N749 PolarHBondContact O-ND2 3.31Å
746L52.7Low49.1Very low33 Ų3384 Ų8417%0.17346%0.458CS..Hα-helixtrans-60.4-43.9175.1-92.9163.8000113.1S742 Y743 F750 I941S742-L746 WeakPolarHBondContact O-CB 3.38Å; S742-L746 PolarHBondContact O-N 3.42Å; Y743-L746 PolarHBondContact O-N 2.92Å; L746-F750 WeakPolarHBondContact O-CE2 3.49Å; L746-I941 HydrophobicContact CD2-CD1 3.63Å; L746-I941 HydrophobicContact CD2-CG1 3.75Å; L746-I941 HydrophobicContact CD2-CG2 3.97Å
747L51.3Low48.7Very low35 Ų3581.8 Ų81.818%0.18344%0.441CS..Hα-helixtrans-91.5-28.4-179.2-58.7-178.6000113.6H617 Y743 F750H617-L747 HydrophobicContact CB-CD1 4.1Å; Y743-L747 HydrophobicContact CD1-CD1 3.66Å; Y743-L747 HydrophobicContact CD1-CG 3.86Å; Y743-L747 HydrophobicContact CE1-CD1 3.77Å; Y743-L747 HydrophobicContact CE1-CD2 4.45Å; Y743-L747 HydrophobicContact CE1-CG 4.1Å; Y743-L747 WeakPolarHBondContact O-CB 3.4Å; Y743-L747 WeakPolarHBondContact O-CG 3.36Å; Y743-L747 PolarHBondContact O-N 3.37Å; L747-F750 HydrophobicContact CD2-CD2 4.3Å; L747-F750 HydrophobicContact CD2-CE2 3.78Å; L747-F750 WeakPolarHBondContact O-CB 3.45Å; L747-F750 WeakPolarHBondContact O-CD2 3.12Å; L747-F750 PolarHBondContact O-N 2.86Å
748G44.5Very low48.8Very low58 Ų5875.1 Ų75.160%0.59841%0.405SS*.Hα-helixtrans-84-21.5-17700000114.4R744 F750R744-G748 WeakPolarHBondContact O-CA 3.35Å; R744-G748 PolarHBondContact O-N 3.34Å; G748-F750 PolarHBondContact O-N 2.91Å
749N43.7Very low49.1Very low84 Ų8471.2 Ų71.245%0.44939%0.388SS..THydrogen-bonded Turntrans-72.9-7169.2-71.5-23.7000112.8L745 S751L745-N749 VanDerWaalsContact O-CB 3.24Å; L745-N749 WeakPolarHBondContact O-CB 3.41Å; L745-N749 PolarHBondContact O-N 3.21Å; L745-N749 VanDerWaalsContact O-N 3.13Å; L745-N749 PolarHBondContact O-ND2 3.31Å; N749-S751 VanDerWaalsContact C-N 3.29Å; N749-S751 PolarHBondContact O-N 3.45Å
750F45.2Very low49.1Very low48 Ų4874 Ų7421%0.21140%0.395CS..  trans-71.984.9168.9-63.2-37.4000110.6L746 L747 G748 S752 D755L746-F750 WeakPolarHBondContact O-CE2 3.49Å; L747-F750 HydrophobicContact CD2-CD2 4.3Å; L747-F750 HydrophobicContact CD2-CE2 3.78Å; L747-F750 WeakPolarHBondContact O-CB 3.45Å; L747-F750 WeakPolarHBondContact O-CD2 3.12Å; L747-F750 PolarHBondContact O-N 2.86Å; G748-F750 PolarHBondContact O-N 2.91Å; F750-S752 CarbonylContact O-C 3.6Å; F750-S752 PolarHBondContact O-N 3.13Å; F750-D755 HydrophobicContact CD1-CB 3.57Å; F750-D755 HydrophobicContact CE1-CB 3.86Å; F750-D755 HydrophobicContact CG-CB 4.32Å
751S39.7Very low49.3Very low118 Ų11867.9 Ų67.983%0.82537%0.367SS*.SBendtrans-52.5-16.7173.663.10000114.3N749N749-S751 VanDerWaalsContact C-N 3.29Å; N749-S751 PolarHBondContact O-N 3.45Å
752S41.4Very low49Very low42 Ų4264.2 Ų64.229%0.29436%0.357SS..SBendtrans-142.5152.8158.673.90000109.8F750 S754F750-S752 CarbonylContact O-C 3.6Å; F750-S752 PolarHBondContact O-N 3.13Å; S752-S754 PolarHBondContact O-N 3.5Å; S752-S754 VanDerWaalsContact OG-CB 3.26Å; S752-S754 WeakPolarHBondContact OG-CB 3.31Å; S752-S754 PolarHBondContact OG-N 3.11Å; S752-S754 PolarHBondContact OG-OG 3.11Å
753P44.8Very low48.6Very low86 Ų8663.9 Ų63.956%0.55836%0.359SS*.THydrogen-bonded Turntrans-69.318.2175.231.2-37.4000113.9Q567Q567-P753 PolarHBondContact NE2-O 3.12Å
754S44.6Very low48.2Very low75 Ų7567.3 Ų67.352%0.52439%0.386SS..THydrogen-bonded Turntrans-86.9-28-177.9-41.20000113Q567 S752Q567-S754 PolarHBondContact NE2-O 3.27Å; S752-S754 PolarHBondContact O-N 3.5Å; S752-S754 VanDerWaalsContact OG-CB 3.26Å; S752-S754 WeakPolarHBondContact OG-CB 3.31Å; S752-S754 PolarHBondContact OG-N 3.11Å; S752-S754 PolarHBondContact OG-OG 3.11Å
755D46.5Very low47.6Very low60 Ų6062.2 Ų62.232%0.32137%0.372SS..  trans-72.6142.1-166.1-61.8-40.1000112.1Q567 F750Q567-D755 PolarHBondContact NE2-O 2.91Å; F750-D755 HydrophobicContact CD1-CB 3.57Å; F750-D755 HydrophobicContact CE1-CB 3.86Å; F750-D755 HydrophobicContact CG-CB 4.32Å
756I52.6Low46.9Very low56 Ų5664.2 Ų64.229%0.28738%0.384SS..EExtended strand (participates in β ladder)trans-123.9126.8-179.3-50171.4000108Q567 M758Q567-I756 HydrophobicContact CB-CD1 3.62Å; Q567-I756 HydrophobicContact CB-CG1 3.93Å; Q567-I756 HydrophobicContact CG-CD1 3.99Å; Q567-I756 HydrophobicContact CG-CG1 3.92Å; Q567-I756 WeakPolarHBondContact O-CD1 3.14Å; I756-M758 HydrophobicContact CG2-CG 4.3Å
757F55Low45.9Very low39 Ų3966.7 Ų66.717%0.17140%0.4CS..EExtended strand (participates in β ladder)trans-91.4122.2171-146.4-98.1000110C619 L620 G621 L759 I941C619-F757 PolarHBondContact O-N 3.09Å; L620-F757 HydrophobicContact CD2-CB 4.07Å; G621-F757 PolarHBondContact N-O 3.34Å; F757-L759 HydrophobicContact CD1-CD1 4.11Å; F757-L759 HydrophobicContact CD1-CD2 4.16Å; F757-L759 HydrophobicContact CD1-CG 3.98Å; F757-L759 HydrophobicContact CE1-CD2 4.18Å; F757-L759 HydrophobicContact CE1-CG 4.38Å; F757-I941 HydrophobicContact CD2-CD1 4.02Å; F757-I941 HydrophobicContact CE1-CD1 4.28Å; F757-I941 HydrophobicContact CE1-CG2 4.4Å; F757-I941 HydrophobicContact CE2-CD1 3.41Å; F757-I941 VanDerWaalsContact CE2-CD1 3.41Å; F757-I941 HydrophobicContact CZ-CB 4.37Å; F757-I941 HydrophobicContact CZ-CD1 3.56Å
758M55.9Low45Very low23 Ų2367.7 Ų67.711%0.11341%0.41CS..EExtended strand (participates in β ladder)trans-107.1132.7178.1-70.6-155.3-51.600112.2I206 F571 I574 G621 I756I206-M758 HydrophobicContact CD1-CB 4.39Å; I206-M758 HydrophobicContact CD1-CE 3.41Å; I206-M758 VanDerWaalsContact CD1-CE 3.41Å; F571-M758 HydrophobicContact CD2-CG 4.25Å; F571-M758 HydrophobicContact CD2-SD 3.72Å; F571-M758 HydrophobicContact CE2-SD 4.29Å; I574-M758 HydrophobicContact CB-CE 4.26Å; I574-M758 HydrophobicContact CD1-CE 3.58Å; I574-M758 HydrophobicContact CD1-SD 4.16Å; I574-M758 HydrophobicContact CG2-CE 3.89Å; G621-M758 CarbonylContact O-C 3.45Å; G621-M758 VanDerWaalsContact O-CA 3.26Å; G621-M758 WeakPolarHBondContact O-CA 3.37Å; I756-M758 HydrophobicContact CG2-CG 4.3Å
759L58.4Low44.9Very low16 Ų1670 Ų708%0.08442%0.415CS..EExtended strand (participates in β ladder)trans-126.2127.3-173.9-60.9120.5000110.9L620 G621 A622 Y623 F757 V946 L950L620-L759 HydrophobicContact CD2-CD1 3.76Å; G621-L759 PolarHBondContact O-N 3.05Å; A622-L759 WeakPolarHBondContact CA-O 3.49Å; Y623-L759 PolarHBondContact N-O 3.37Å; F757-L759 HydrophobicContact CD1-CD1 4.11Å; F757-L759 HydrophobicContact CD1-CD2 4.16Å; F757-L759 HydrophobicContact CD1-CG 3.98Å; F757-L759 HydrophobicContact CE1-CD2 4.18Å; F757-L759 HydrophobicContact CE1-CG 4.38Å; L759-V946 HydrophobicContact CD1-CG1 3.52Å; L759-V946 HydrophobicContact CD2-CB 4.13Å; L759-V946 HydrophobicContact CD2-CG1 3.62Å; L759-V946 HydrophobicContact CD2-CG2 4.4Å; L759-V946 HydrophobicContact CG-CG1 4.2Å; L759-L950 HydrophobicContact CD1-CD1 4.44Å
760R51.9Low44.5Very low127 Ų12770.3 Ų70.348%0.47942%0.419SS..EExtended strand (participates in β ladder)trans-88.8104.9168.4-177.8172.9170.2-174.3-6.7108.6Y623Y623-R760 HydrophobicContact CD2-CG 4.39Å; Y623-R760 HydrophobicContact CE1-CB 4.45Å; Y623-R760 HydrophobicContact CE2-CB 3.98Å; Y623-R760 HydrophobicContact CE2-CG 3.77Å; Y623-R760 CarbonylContact O-C 3.53Å; Y623-R760 WeakPolarHBondContact O-CA 3.31Å
761L54.3Low44.2Very low25 Ų2572 Ų7213%0.13143%0.43CS..PPolyproline II helixtrans-73141.1174.9-66.7173.9000109.8A622 Y623 S624A622-L761 HydrophobicContact CB-CD1 3.97Å; A622-L761 HydrophobicContact CB-CG 4.28Å; Y623-L761 PolarHBondContact O-N 3.4Å; S624-L761 PolarHBondContact OG-O 3.11Å
762P46.1Very low44.1Very low86 Ų8673.1 Ų73.156%0.55842%0.416SS*.PPolyproline II helixtrans-57.8153.6170.327-34.4000110.5S624S624-P762 PolarHBondContact OG-O 3.22Å
763G42.7Very low43.8Very low30 Ų3080.7 Ų80.731%0.30944%0.438SS..PPolyproline II helixtrans-63158.5176.700000111.8D765G763-D765 PolarHBondContact O-N 3.3Å
764S42.1Very low43.1Very low88 Ų8882.7 Ų82.762%0.61544%0.438SS*.G310 helixtrans-59.9-12.5-178.340.60000115.6
765D38.1Very low42.5Very low80 Ų8082.9 Ų82.943%0.42844%0.435SS..G310 helixtrans-91.2-11.5-154.3-54-12.6000113.4G763G763-D765 PolarHBondContact O-N 3.3Å
766D33.3Very low41.8Very low139 Ų13986.3 Ų86.374%0.74345%0.453SS*.G310 helixtrans-104.2-6.2-172.7-82.3-39.2000115.8
767V32Very low40.7Very low85 Ų8590.1 Ų90.152%0.51547%0.47SS..  trans-125.293.5-171.5-170.30000113.8R772V767-R772 HydrophobicContact CG1-CG 4.38Å
768S33Very low39.4Very low56 Ų5696.2 Ų96.239%0.39250%0.499SS..  trans-63139.1161169.20000111V770 I771S768-V770 PolarHBondContact O-N 3.28Å; S768-V770 VanDerWaalsContact O-N 3.07Å; S768-V770 PolarHBondContact OG-N 3.44Å; S768-I771 WeakPolarHBondContact O-CB 3.14Å; S768-I771 PolarHBondContact O-N 2.98Å
769P40.5Very low37.9Very low108 Ų108100.3 Ų100.370%0.70152%0.52SS*.Hα-helixtrans-60.9-20.4177.625-34.6000113.3I771 R772P769-I771 VanDerWaalsContact C-N 3.29Å; P769-I771 PolarHBondContact O-N 2.99Å; P769-R772 PolarHBondContact O-N 3.49Å
770V37.1Very low36.4Very low89 Ų89105.7 Ų105.754%0.53955%0.553SS.*Hα-helixtrans-66.3-31.9173.6-176.30000111.6S768 R773 K774S768-V770 PolarHBondContact O-N 3.28Å; S768-V770 VanDerWaalsContact O-N 3.07Å; S768-V770 PolarHBondContact OG-N 3.44Å; V770-R773 PolarHBondContact O-N 3.37Å; V770-K774 PolarHBondContact O-N 3.45Å
771I37.4Very low35.1Very low85 Ų85105.5 Ų105.544%0.43657%0.57SS.*Hα-helixtrans-72.5-35.9179.5-60.2175000110.5S768 P769 R773 K774 V775S768-I771 WeakPolarHBondContact O-CB 3.14Å; S768-I771 PolarHBondContact O-N 2.98Å; P769-I771 VanDerWaalsContact C-N 3.29Å; P769-I771 PolarHBondContact O-N 2.99Å; I771-R773 PolarHBondContact O-N 3Å; I771-K774 PolarHBondContact O-N 3.19Å; I771-V775 HydrophobicContact CG2-CG2 3.81Å; I771-V775 WeakPolarHBondContact O-CB 3.36Å; I771-V775 WeakPolarHBondContact O-CG2 3.47Å; I771-V775 PolarHBondContact O-N 3.36Å
772R37.6Very low33.8Very low141 Ų141109.6 Ų109.653%0.53260%0.601SS.*Hα-helixtrans-57-33.1173.3-93.4-171.6174.4-176.5-1.1113V767 P769 L776 N951V767-R772 HydrophobicContact CG1-CG 4.38Å; P769-R772 PolarHBondContact O-N 3.49Å; R772-L776 WeakPolarHBondContact O-CD1 3.42Å; R772-N951 PolarHBondContact NH1-OD1 3.42Å; R772-N951 PolarHBondContact NH2-OD1 3.45Å
773R35.2Very low32.6Very low200 Ų200117.4 Ų117.476%0.75562%0.619SS**Hα-helixtrans-74.4-52.2171.7-81.9-174.8169.1132-0.5112.4V770 I771 V775 L776 E777V770-R773 PolarHBondContact O-N 3.37Å; I771-R773 PolarHBondContact O-N 3Å; R773-V775 VanDerWaalsContact C-N 3.26Å; R773-V775 PolarHBondContact O-N 2.89Å; R773-L776 PolarHBondContact O-N 3.38Å; R773-E777 PolarHBondContact O-N 2.94Å
774K30.8Very low31.8Very low129 Ų129120.7 Ų120.756%0.56164%0.638SS**Hα-helixtrans-63.1-27.1-175.9-71.2-168.1171.5-169.40114.5V770 I771 E777 H778V770-K774 PolarHBondContact O-N 3.45Å; I771-K774 PolarHBondContact O-N 3.19Å; K774-E777 PolarHBondContact O-N 3.39Å; K774-H778 PolarHBondContact O-N 3.43Å
775V32Very low31Very low78 Ų78127.6 Ų127.647%0.47365%0.652SS.*Hα-helixtrans-75.6-22.8175.5173.80000112.6I771 R773I771-V775 HydrophobicContact CG2-CG2 3.81Å; I771-V775 WeakPolarHBondContact O-CB 3.36Å; I771-V775 WeakPolarHBondContact O-CG2 3.47Å; I771-V775 PolarHBondContact O-N 3.36Å; R773-V775 VanDerWaalsContact C-N 3.26Å; R773-V775 PolarHBondContact O-N 2.89Å
776L32.3Very low30.4Very low133 Ų133128.2 Ų128.270%0.69666%0.663SS**Hα-helixtrans-75.8-41.9167-95.379000111.4R772 R773 H778 L779R772-L776 WeakPolarHBondContact O-CD1 3.42Å; R773-L776 PolarHBondContact O-N 3.38Å; L776-H778 PolarHBondContact O-N 3.1Å; L776-L779 PolarHBondContact O-N 2.78Å
777E29.2Very low29.9Very low135 Ų135128.5 Ų128.563%0.63166%0.664SS**Hα-helixtrans-63.4-28.5-178.3-67.7170.6154.200113R773 K774R773-E777 PolarHBondContact O-N 2.94Å; K774-E777 PolarHBondContact O-N 3.39Å
778H27.2Very low29.7Very low168 Ų168136.6 Ų136.678%0.77869%0.685SS**THydrogen-bonded Turntrans-92.86.3179.4-90.6-71.8000116.2K774 L776K774-H778 PolarHBondContact O-N 3.43Å; L776-H778 PolarHBondContact O-N 3.1Å
779L25.5Very low29.3Very low108 Ų108139 Ų13957%0.56570%0.703SS**THydrogen-bonded Turntrans-104.19.5178.6-90168.3000115.1L776L776-L779 PolarHBondContact O-N 2.78Å
780V25.9Very low28.8Very low129 Ų129139.5 Ų139.578%0.78271%0.706SS**  trans-104.262.3177.9-168.50000111.3
781C25.3Very low28.3Very low123 Ų123142.8 Ų142.883%0.83172%0.719SS**SBendtrans-157.441.1174.6-154.50000116.4
782S25.5Very low27.8Very low112 Ų112143.4 Ų143.478%0.78373%0.731SS**  trans-154.549.7178.455.30000115.9
783R22.7Very low27.3Very low250 Ų250148.4 Ų148.494%0.94375%0.75SS**  trans-152.266.4176.8-135.3-179.9-163.9-172.15.1117.5
784S24.3Very low26.9Very low99 Ų99142 Ų14269%0.69275%0.746SS**  trans-176.5125.8148.954.10000112.4
785Y26.6Very low26.7Very low232 Ų232140.3 Ų140.391%0.9176%0.756SS**  -170.2136.1111.1-105.3-68.8000110.1
786S24.7Very low26.6Very low94 Ų94143.3 Ų143.366%0.65777%0.77SS**  trans-118.8153175.453.70000110.7
787N24.1Very low26.4Very low145 Ų145143.5 Ų143.578%0.77577%0.772SS**  trans60.5102.5161.3-56.2-16.1000118.4
788R26.9Very low26.4Very low254 Ų254144.1 Ų144.196%0.95878%0.778SS**  -175.1145.4110.5-98.1164.7-172.4-160.32.1112.3
789S25.4Very low26.2Very low108 Ų108143.5 Ų143.576%0.75578%0.78SS**  trans-101.9163.6163.257.80000109.6
790P29.8Very low26.1Very low118 Ų118142.6 Ų142.677%0.76678%0.783SS**  -149.1172.290.938.7-20.5000117.4
791L25.6Very low26.2Very low158 Ų158143.2 Ų143.283%0.82779%0.787SS**  trans-24.2158.5161.6-73.797.4000118.6
792S27.3Very low26.1Very low97 Ų97142.3 Ų142.368%0.67878%0.782SS**  cis-165.7-157.2-2.1470000109
793R27.1Very low26Very low247 Ų247141.9 Ų141.993%0.93278%0.779SS**  cis-166.4163.415.9-153.5173.6178.4166.1-0.5111.8
794G27.4Very low26.3Very low66 Ų66138.3 Ų138.368%0.6878%0.777SS**  trans119.395.5173.200000111.3
795A26.8Very low26.2Very low93 Ų93143.2 Ų143.277%0.76978%0.782SS**  76.8123.179.100000111.3
796D28.7Very low26.1Very low140 Ų140137.2 Ų137.275%0.74977%0.765SS**  cis-138.3162.621.8-80.8-47.1000114.9
797N28.1Very low26.1Very low138 Ų138142.1 Ų142.174%0.73877%0.769SS**  trans44.9134.8144.3-62.7-26.8000121.8
798I29.3Very low26.3Very low148 Ų148143.6 Ų143.676%0.75978%0.775SS**  cis-148.7141.81-102.7154.5000109
799N23.3Very low26.2Very low154 Ų154135.7 Ų135.782%0.82476%0.755SS**  trans-105.2163.4171.2-90.7-21.9000108.5
800S24.3Very low26.2Very low90 Ų90138.2 Ų138.263%0.62975%0.754SS**  cis-177.2-178.8-4.149.60000107
801T27.4Very low26Very low142 Ų142138.3 Ų138.387%0.87175%0.749SS**  165.5159.3122.237.10000112.2
802S22.3Very low26Very low103 Ų103135.3 Ų135.372%0.7274%0.741SS**  trans-128.1145.2177.955.40000111.5
803S25Very low25.9Very low103 Ų103137 Ų13772%0.7274%0.742SS**  trans50.9125.5151.663.10000120.7
804I27.3Very low25.9Very low175 Ų175132 Ų13290%0.89773%0.732SS**  -162.4161.2124.9-102.8154.7000110
805Y23.3Very low25.9Very low203 Ų203132.6 Ų132.680%0.79673%0.726SS**  trans-79.3157.5-167.9-115.2-138.5000115.5
806N24.4Very low25.9Very low105 Ų105139.1 Ų139.156%0.56173%0.731SS**  trans16151.6142.1-73.9-66.5000120.9
807R25.5Very low25.6Very low198 Ų198136.2 Ų136.275%0.74772%0.721SS**  cis178.5129-10.7173.1-160.9-67-165.1-6.1108.5V809R807-V809 HydrophobicContact CG-CG2 4.13Å
808I26.4Very low25.4Very low175 Ų175138.5 Ų138.590%0.89773%0.728SS**  trans-144.1148.6165.6-58.8-177000108.4
809V25.9Very low25.1Very low88 Ų88135.2 Ų135.253%0.53372%0.723SS.*  178.4132.6-56.5146.60000108.3R807R807-V809 HydrophobicContact CG-CG2 4.13Å
810H25.2Very low25.3Very low161 Ų161135.4 Ų135.475%0.74572%0.722SS**  trans61.3154.3169.4-72.8-55.7000117.3
811D24.8Very low25.3Very low121 Ų121135.9 Ų135.965%0.64773%0.725SS**  cis-151.5153.5-8.2-128.9-17.5000116.1
812S25.9Very low25.3Very low94 Ų94138.8 Ų138.866%0.65773%0.726SS**  trans62.7164.2139.9860000120.1
813D26.2Very low25.6Very low134 Ų134138.7 Ų138.772%0.71772%0.723SS**  cis-155.1171.83.2-142.7-24.2000113.2
814I27.7Very low25.6Very low141 Ų141141.5 Ų141.572%0.72373%0.73SS**  trans63.9133.8149.8-75.4158.7000118.7
815S25.3Very low25.4Very low79 Ų79144.4 Ų144.455%0.55273%0.729SS**  cis-170.7171.9-17.167.20000110.8
816R27.2Very low26Very low230 Ų230139.5 Ų139.587%0.86872%0.722SS**  trans69.2155.2153.5-71.4174.2176152.91118.8
817S23Very low26Very low78 Ų78142.2 Ų142.255%0.54573%0.731SS.*  cis165.8152.9-42.8540000108.6
818Q24.2Very low25.9Very low186 Ų186137.9 Ų137.987%0.86972%0.723SS**  trans68152.5160.9-67.1169.50.500116.2
819A23.5Very low25.9Very low79 Ų79138.1 Ų138.165%0.65371%0.714SS**  cis-169.5-166.8-21.400000109.4
820I26.3Very low25.7Very low159 Ų159144 Ų14482%0.81573%0.726SS**  trans92.8136151.7-62.1153.3000118.1
821S25.8Very low25.7Very low99 Ų99142.1 Ų142.169%0.69272%0.721SS**  trans56.4110.7161.162.20000122.7
822K27Very low25.8Very low204 Ų204146.3 Ų146.389%0.88773%0.734SS**  -64.8150.4125.7-59.6173.1-179.61720108
823P28.4Very low25.8Very low100 Ų100151.9 Ų151.965%0.64975%0.747SS**  -151.3157.599.337.6-20.5000117.2
824N25.4Very low25.7Very low162 Ų162151.5 Ų151.587%0.86674%0.743SS**  trans68.8141145.8-63.2-11.5000123.4
825R23.3Very low25.7Very low237 Ų237154.2 Ų154.289%0.89475%0.75SS**  trans-83.4-166.8161.4-51.3173.8169.6167.9-5.4108.6
826P33.9Very low25.8Very low99 Ų99158.1 Ų158.164%0.64376%0.764SS**  cis-143.7-166426.12.9000116.4
827H26.1Very low25.7Very low162 Ų162155.9 Ų155.975%0.7577%0.766SS**  trans72.3129.5162.7-69.2-66.7000118.4
828D23.5Very low25.8Very low108 Ų108160.9 Ų160.958%0.57878%0.778SS**  cis-179.1176.2-0.2-143.5-39.4000109.2
829Y24.5Very low25.8Very low179 Ų179159.2 Ų159.270%0.70278%0.775SS**  trans6495.3161.3-68.5-61.9000123
830R23.6Very low25.9Very low211 Ų211165.7 Ų165.780%0.79679%0.789SS**  86.4148.7114.5-102.6-179177.7177.8-0.1122.7
831L25.2Very low25.8Very low123 Ų123163.1 Ų163.164%0.64479%0.785SS**  trans71.189.1147.8-75.1164.8000119.9I834L831-I834 HydrophobicContact CD2-CD1 4.47Å
832K26Very low25.7Very low208 Ų208168.2 Ų168.290%0.90480%0.795SS**SBend-154.633.8126.6-121.8172.4-173.9177.40117.5
833F26.5Very low25.6Very low212 Ų212165.1 Ų165.193%0.9379%0.788SS**SBendtrans-125.542.3170.5-119.4-86.8000114.2
834I24.3Very low25.4Very low126 Ų126165.7 Ų165.765%0.64680%0.795SS**  trans-134.3102.1166.1-57.8177.9000107.9L831L831-I834 HydrophobicContact CD2-CD1 4.47Å
835K26.5Very low25.3Very low198 Ų198168.4 Ų168.486%0.86180%0.799SS**SBendtrans-152.1-29.2161.9-131.4-179.5179.7-171.60116.8
836N28.3Very low25.4Very low160 Ų160161.4 Ų161.486%0.85679%0.787SS**SBendtrans-104.1-0.5-178.3-71.78.9000115.5
837M25.2Very low24.9Very low184 Ų184166.2 Ų166.291%0.90680%0.797SS**SBendtrans-100.635.7-179.2-89.4-75.6-15700113.7
838K23.9Very low24.8Very low183 Ų183169.3 Ų169.380%0.79680%0.804SS**SBendtrans-147.762.2172.1-77.1-160.1174.2-171.20112
839N25.2Very low24.8Very low151 Ų151175.3 Ų175.381%0.80782%0.819SS**  trans-154.637.7168.8-110.6-3.5000114.1
840F24.1Very low24.8Very low215 Ų215175.6 Ų175.694%0.94383%0.826SS**  trans-13573.2163-95.5-76.2000109.9
841S24.3Very low24.8Very low104 Ų104174.6 Ų174.673%0.72783%0.83SS**  trans-78.1132170.451.60000110.6N843S841-N843 PolarHBondContact O-N 3.24Å
842F25.4Very low24.7Very low206 Ų206180.5 Ų180.590%0.90484%0.844SS**SBendtrans-52.5109.7165.4-82-115.6000110.3
843N23.2Very low24.7Very low140 Ų140177.7 Ų177.775%0.74984%0.839SS**  trans-176.974.4159.6-100.4-32000111.8S841S841-N843 PolarHBondContact O-N 3.24Å
844S24.3Very low24.9Very low112 Ų112179.2 Ų179.278%0.78384%0.838SS**  trans-14622.217455.50000114.6
845F24.9Very low25Very low218 Ų218184 Ų18496%0.95685%0.848SS**SBendtrans-126.143.1173.6-100.2-82.8000112
846S24Very low24.9Very low91 Ų91183.9 Ų183.964%0.63685%0.848SS**SBendtrans-151.231.8-175.953.30000113.6
847K23.5Very low24.9Very low199 Ų199185.4 Ų185.487%0.86585%0.85SS**SBendtrans-151.733.9-176.1-127.1171.5-170.7178.90117.4
848Y24.2Very low25Very low227 Ų227180.4 Ų180.489%0.8985%0.845SS**SBendtrans-134.115.2173.5-104.6-73.6000116.2
849W23.7Very low25Very low235 Ų235177.6 Ų177.689%0.8985%0.847SS**SBendtrans-132.465.6172.7-89.3102.8000112.1
850Q24.2Very low25.1Very low184 Ų184176 Ų17686%0.8684%0.839SS**  trans-160.858.5170.6-127.9175.13600114.7
851H23.8Very low25.1Very low191 Ų191173.6 Ų173.688%0.88483%0.828SS**  trans-163.689.9158-108-65.4000114.2
852R24Very low25.3Very low247 Ų247177 Ų17793%0.93283%0.83SS**  trans155106.5136.9-90.9178.2167.6175.8-2.5110.8
853D25.6Very low25.3Very low148 Ų148174.5 Ų174.579%0.79182%0.821SS**  -162.6100.9124.5-150.66.1000111.7
854R29.5Very low25.3Very low244 Ų244176.6 Ų176.692%0.92183%0.826SS**  trans-167.1131.7151.2-107.4169.4-157.4-147.75.5110.8
855R28.1Very low25.3Very low228 Ų228176.9 Ų176.986%0.8682%0.824SS**  trans-21.5140.8167.1-64.9168.7-175.5-173.3-2.5115.6
856K23.5Very low25.2Very low195 Ų195177.2 Ų177.285%0.84882%0.82SS**  39.3122100-55.7-172.4173-171.10111.3
857E27.8Very low25.1Very low191 Ų191177 Ų17789%0.89382%0.818SS**  cis-148.5173.546.1-71.1152.5176.400113.3
858G28Very low25.1Very low79 Ų79174.1 Ų174.181%0.81481%0.812SS**  trans89.4118.3151.300000119.8
859C23.1Very low25.1Very low124 Ų124169 Ų16984%0.83880%0.8SS**  trans-84.9163.7145.7-58.90000107.7
860D27.9Very low25.2Very low118 Ų118165.1 Ų165.163%0.63179%0.79SS**  cis-167.8152.444.1-141.9-3.9000113.3
861K25.2Very low25.4Very low165 Ų165162.6 Ų162.672%0.71778%0.782SS**  trans27.7126.5156.8-61146-167.6148.40122.9
862K27Very low25.5Very low174 Ų174160.2 Ų160.276%0.75778%0.775SS**  172.1121.9106.8-91.7-173.7175-99.20110.9
863E26.6Very low25.6Very low154 Ų154156.1 Ų156.172%0.7276%0.764SS**  8189.288.5-71.8177.4156.500115.9
864E22.3Very low25.8Very low184 Ų184156.1 Ų156.186%0.8676%0.759SS**  trans46.3163.6139.4-54.8-157.7147.500126.3
865T24.2Very low25.5Very low119 Ų119149.3 Ų149.373%0.7375%0.748SS**  trans82.9104.5164.456.10000122
866Y22.4Very low25.8Very low224 Ų224144.9 Ų144.988%0.87875%0.749SS**  21.4143.6110.4-66.6-75.7000119.2
867S23.1Very low25.8Very low87 Ų87140.6 Ų140.661%0.60874%0.744SS**  cis-174.4175.36.249.80000114.4
868N23.1Very low25.8Very low138 Ų138140.7 Ų140.774%0.73874%0.741SS**  trans87.1136149.7-65-21.7000122.6
869D25.1Very low25.6Very low119 Ų119146.9 Ų146.964%0.63675%0.746SS**  trans64.9151.6143.8-77.515.8000121.4
870K25.6Very low25.6Very low154 Ų154145.9 Ų145.967%0.6774%0.74SS**  cis-172.4159.1-22.2-110.8-178.1-167.784.80103.8
871L27.3Very low25.4Very low132 Ų132145.3 Ų145.369%0.69174%0.737SS**  cis177.215940.2-121.4158.7000108.5
872L26.8Very low25.3Very low140 Ų140147.2 Ų147.273%0.73374%0.739SS**  trans70.3147.9158.9-58.2168.4000118.3
873K26.8Very low25.2Very low161 Ų161147.7 Ų147.770%0.774%0.742SS**  cis-156154.811.2-132.1167.8-179.2179.60114.6
874H28.1Very low25.1Very low149 Ų149145.1 Ų145.169%0.6974%0.741SS**  trans77.290.7153.8-73.1-58.9000125.4
875S23.9Very low25.4Very low101 Ų101146.4 Ų146.471%0.70674%0.744SS**  64.2135.911556.20000125.4
876P34Very low25.4Very low134 Ų134149.5 Ų149.587%0.8775%0.747SS**  trans-118.3162.8175.742.5-33.7000117.5
877S23.3Very low25.6Very low105 Ų105148 Ų14873%0.73475%0.748SS**  trans-171.7161.5159.581.90000109.6
878K27.8Very low25.5Very low194 Ų194154.8 Ų154.884%0.84376%0.76SS**  cis-1331743.8-79155.3-169.7171.40108.1
879K24.8Very low25.6Very low209 Ų209155 Ų15591%0.90976%0.76SS**  cis90.7149.634.6-107.5-173.3-176.1-175.20116.8
880S22.6Very low25.5Very low102 Ų102157.3 Ų157.371%0.71377%0.766SS**  trans-117.2-178.7-156.159.60000116.2
881D23.4Very low25.4Very low107 Ų107158.5 Ų158.557%0.57277%0.774SS**  trans117.7126148.7-8244000121.4
882R22.9Very low25.2Very low204 Ų204160 Ų16077%0.7778%0.783SS**  trans84.2162.4136.1-94.1175.3-89.4-179.3-6.3124.4
883F26.2Very low25Very low185 Ų185164.1 Ų164.181%0.81179%0.789SS**  trans71.2118-179.5-64.4-81.1000117.3
884S23.6Very low24.9Very low100 Ų100164 Ų16470%0.69979%0.794SS**  cis105110.8-2.295.20000119.6
885K28.3Very low24.6Very low211 Ų211161.4 Ų161.492%0.91779%0.792SS**  trans-173163.8142.2-105.6174.5-176.3179.20109.1
886K25.4Very low24.6Very low184 Ų184161.7 Ų161.780%0.880%0.795SS**  179.1120.9-63.2174.3-172-173.1-169.90107.4
887H25.2Very low24.1Very low192 Ų192162.3 Ų162.389%0.88979%0.79SS**  trans-155.8149.9145.7-112.6-80.4000110.7
888R21Very low24.2Very low229 Ų229168 Ų16886%0.86480%0.802SS**  trans-168.3138.8-172.5-175.9-169.1-165.3-162.46.8107.6
889I25Very low24.1Very low143 Ų143162 Ų16273%0.73380%0.796SS**  trans156.8136.7173-92154.9000104.5
890E23.9Very low24Very low167 Ų167161 Ų16178%0.7879%0.794SS**  cis-152.9176.8-3.5-125.2163.2-152.100111.8
891H22.8Very low24.1Very low180 Ų180167.6 Ų167.683%0.83381%0.805SS**  trans-99.5133.4164-89.8-97.7000109.8
892N23.6Very low24.2Very low162 Ų162166.8 Ų166.887%0.86681%0.814SS**  trans-160.1171.9142-115.8-40.1000113.8
893R21.8Very low24.2Very low227 Ų227162.8 Ų162.886%0.85782%0.817SS**  trans-87.1141.8-168.8-61.4168.1171.5152.5-7.4113.9
894I25.6Very low24Very low160 Ų160161.3 Ų161.382%0.82182%0.818SS**  trans-164.6122142.2-89.1138.7000103.5
895S22Very low24Very low93 Ų93162.6 Ų162.665%0.6583%0.825SS**  cis93.5122.630.278.60000114.9
896S23.3Very low23.8Very low108 Ų108160.8 Ų160.876%0.75582%0.824SS**  trans87.8147.7171.580.50000119.5
897N23.5Very low23.6Very low146 Ų146159.1 Ų159.178%0.78182%0.821SS**  trans71.567.3159-59.1-1.1000120
898F24.8Very low23.5Very low224 Ų224158.5 Ų158.598%0.98282%0.824SS**  -131.4139.8116.3-110-83.7000109.2
899G26.7Very low23.6Very low69 Ų69153.2 Ų153.271%0.71181%0.813SS**  trans-92.4164-162.700000116
900E22.3Very low23.5Very low187 Ų187155.1 Ų155.187%0.87482%0.818SS**  trans-28.2123.4168.5-60.5162.5133.500116.1
901Y25.3Very low23.5Very low241 Ų241156.9 Ų156.995%0.94582%0.824SS**  -137.8135.6126.7-104.1-80.3000108.6
902A25.3Very low23.7Very low91 Ų91154 Ų15475%0.75282%0.821SS**  trans-78.6145.7-161.400000114.5N904A902-N904 PolarHBondContact O-N 2.76Å
903S22.5Very low23.7Very low119 Ų119153 Ų15383%0.83282%0.816SS**  trans-60121173-48.40000111.8
904N21.9Very low23.8Very low155 Ų155147 Ų14783%0.82982%0.815SS**  trans-148.848168.8-107.3-26.3000112.5A902A902-N904 PolarHBondContact O-N 2.76Å
905C23.5Very low23.8Very low127 Ų127146.7 Ų146.786%0.85882%0.815SS**  trans-99.4113.9158.5-72.70000107.9
906L23.7Very low23.8Very low172 Ų172152 Ų15290%0.90183%0.826SS**  trans-64.7144.1179.4-79.8164.9000111.6L908L906-L908 PolarHBondContact O-N 3.06Å
907M21.9Very low23.9Very low149 Ų149153.7 Ų153.773%0.73483%0.832SS**  trans-74.7122.4-172.8-68.9-97.8-78.800111.6N909M907-N909 HydrophobicContact CB-CB 4.46Å; M907-N909 HydrophobicContact CE-CB 4.44Å; M907-N909 WeakPolarHBondContact CE-ND2 3.37Å; M907-N909 PolarHBondContact O-N 2.87Å; M907-N909 VanDerWaalsContact O-N 3.12Å
908L23.7Very low23.9Very low179 Ų179151.2 Ų151.294%0.93783%0.826SS**  trans-8460.7164.7-99.4165.3000110.3L906L906-L908 PolarHBondContact O-N 3.06Å
909N22.4Very low23.9Very low118 Ų118149.4 Ų149.463%0.63182%0.821SS**  trans-120.8104.1174.7-83.910.5000109.7M907M907-N909 HydrophobicContact CB-CB 4.46Å; M907-N909 HydrophobicContact CE-CB 4.44Å; M907-N909 WeakPolarHBondContact CE-ND2 3.37Å; M907-N909 PolarHBondContact O-N 2.87Å; M907-N909 VanDerWaalsContact O-N 3.12Å
910E23.6Very low23.9Very low183 Ų183151.7 Ų151.786%0.85582%0.821SS**  -175.593.2127.9-103.6171.1-152.900111.6
911F22.8Very low24Very low204 Ų204149.6 Ų149.690%0.89582%0.816SS**  trans-135.196.3160.9-91.2-75.8000108.1N913F911-N913 PolarHBondContact O-N 2.89Å
912P27.1Very low23.9Very low119 Ų119144.8 Ų144.877%0.77381%0.807SS**  trans-82.794.2175.231.1-31.4000111.1
913N25Very low24.1Very low143 Ų143149.3 Ų149.377%0.76581%0.812SS**  trans34111.3151.5-58.5-31.9000119.2F911F911-N913 PolarHBondContact O-N 2.89Å
914A22.5Very low24.2Very low100 Ų100148.7 Ų148.783%0.82681%0.806SS**  trans-63.8149.515000000110.8
915N25.3Very low24.6Very low154 Ų154150.8 Ų150.882%0.82481%0.808SS**  trans-140.9140.5163-98.3-43.3000110.6
916F23Very low24.7Very low203 Ų203149 Ų14989%0.8980%0.797SS**  trans-68.9145.5176.6-71.9-116.5000111.6
917V24.9Very low24.8Very low145 Ų145148.6 Ų148.688%0.87980%0.796SS**  -145142.5123.2-175.50000108
918S24.1Very low25.1Very low94 Ų94145 Ų14566%0.65779%0.789SS**  trans-103.4133.1165.553.80000109.9
919E24.7Very low25.3Very low185 Ų185144 Ų14486%0.86479%0.785SS**  trans26.3127.5149.8-59.3168.4165.200117.7
920T26.1Very low25.4Very low118 Ų118143.5 Ų143.572%0.72479%0.791SS**  -159.7148.253.949.30000114.3
921D23.9Very low25.6Very low142 Ų142142.1 Ų142.176%0.75979%0.788SS**  trans57.7138.2140.6-49.9-17.2000124.7
922D24Very low25.7Very low141 Ų141139.8 Ų139.875%0.75479%0.785SS**  trans5197.3150.6-64.1-15000122.8
923H29.9Very low25.7Very low185 Ų185143 Ų14386%0.85679%0.79SS**  -177.9145.494.2-106.4-68.6000116.1
924C23.8Very low25.9Very low106 Ų106143.4 Ų143.472%0.71679%0.792SS**  trans-63.1164-173.7-47.90000119.7
925K29.9Very low26.2Very low199 Ų199147.1 Ų147.187%0.86579%0.792SS**  trans82.9147.6155.3-63170.6179.7175.90118.9
926S27.1Very low26.4Very low89 Ų89148.8 Ų148.862%0.62279%0.792SS**  cis-177.3121-36.347.70000111.2
927N26.3Very low26.6Very low165 Ų165143.2 Ų143.288%0.88278%0.778SS**  trans62159.7153.4-49.511.8000117.4
928A28.2Very low26.9Very low72 Ų72143.8 Ų143.860%0.59578%0.776SS**  cis-148.41554.400000112
929D26.6Very low27.5Very low160 Ų160142.9 Ų142.986%0.85677%0.767SS**  trans59.1144.7144.1-51.6-15.3000120.9
930S25.4Very low28.1Very low107 Ų107145.6 Ų145.675%0.74877%0.769SS**  cis-150.3147.12.949.30000112.8
931L26.6Very low29.3Very low154 Ų154141.9 Ų141.981%0.80674%0.744SS**SBendtrans175.2116.9134.1-97.4161.4000110.3
932D26.6Very low30.7Very low154 Ų154139 Ų13982%0.82473%0.729SS**  trans39.5109.5162.2-53.2-15.4000120
933H26.6Very low32.1Very low187 Ų187136.3 Ų136.387%0.86671%0.712SS**  trans-94.6124.2174-101.8-66.5000112.5E935H933-E935 PolarHBondContact O-N 3.21Å
934D29.7Very low33.5Very low152 Ų152133.3 Ų133.381%0.81370%0.696SS**  trans-79.499.4159.5-100.2-21000110K936D934-K936 PolarHBondContact O-N 3.19Å; D934-K936 VanDerWaalsContact O-N 3.09Å
935E27.1Very low35.3Very low178 Ų178131.6 Ų131.683%0.83268%0.678SS**  trans-74.492.4169.7-75.6-160.4130.100111.4H933 S937H933-E935 PolarHBondContact O-N 3.21Å; E935-S937 PolarHBondContact O-N 2.91Å; E935-S937 VanDerWaalsContact O-N 3.07Å
936K29.4Very low36.9Very low189 Ų189122.2 Ų122.282%0.82264%0.637SS**  trans-73.596.6161.9-80.1178.9178.6165.90109.7D934 N938D934-K936 PolarHBondContact O-N 3.19Å; D934-K936 VanDerWaalsContact O-N 3.09Å; K936-N938 PolarHBondContact O-N 2.78Å
937S28.9Very low38.9Very low85 Ų85119.9 Ų119.959%0.59462%0.617SS**  trans-68.5112.3-175.249.20000112.8E935 V939E935-S937 PolarHBondContact O-N 2.91Å; E935-S937 VanDerWaalsContact O-N 3.07Å; S937-V939 VanDerWaalsContact C-N 3.27Å; S937-V939 PolarHBondContact O-N 3.48Å
938N29.5Very low40.9Very low157 Ų157117 Ų11784%0.8460%0.602SS**  trans-73.779.4169.4-79.4-18.9000110.3K936 R940K936-N938 PolarHBondContact O-N 2.78Å; N938-R940 PolarHBondContact O-N 3.07Å
939V36.8Very low42.9Very low76 Ų76114.1 Ų114.146%0.46158%0.577SS.*  trans-68.6110.3-178.5178.50000111S937 I941S937-V939 VanDerWaalsContact C-N 3.27Å; S937-V939 PolarHBondContact O-N 3.48Å; V939-I941 HydrophobicContact CG1-CG1 4.49Å; V939-I941 PolarHBondContact O-N 3.14Å; V939-I941 VanDerWaalsContact O-N 3.17Å
940R38.5Very low45.2Very low241 Ų241106.5 Ų106.591%0.90954%0.536SS*.  trans-70.1104.7167.9-86.4-177167.9168.5-2.8110.2N938N938-R940 PolarHBondContact O-N 3.07Å
941I50.4Low47.8Very low41 Ų41102.2 Ų102.221%0.2151%0.505CS..  trans-73.8134.1171.2-67.3164.4000109.6L746 F757 V939 V946L746-I941 HydrophobicContact CD2-CD1 3.63Å; L746-I941 HydrophobicContact CD2-CG1 3.75Å; L746-I941 HydrophobicContact CD2-CG2 3.97Å; F757-I941 HydrophobicContact CD2-CD1 4.02Å; F757-I941 HydrophobicContact CE1-CD1 4.28Å; F757-I941 HydrophobicContact CE1-CG2 4.4Å; F757-I941 HydrophobicContact CE2-CD1 3.41Å; F757-I941 VanDerWaalsContact CE2-CD1 3.41Å; F757-I941 HydrophobicContact CZ-CB 4.37Å; F757-I941 HydrophobicContact CZ-CD1 3.56Å; V939-I941 HydrophobicContact CG1-CG1 4.49Å; V939-I941 PolarHBondContact O-N 3.14Å; V939-I941 VanDerWaalsContact O-N 3.17Å; I941-V946 HydrophobicContact CG2-CG2 3.6Å
942N53.8Low50.5Low82 Ų8299.4 Ų99.444%0.43949%0.491SS..  trans-94.4130.1-170.3-146.7-6.2000110.5K944 E945 V946N942-K944 PolarHBondContact O-N 3.01Å; N942-E945 HydrophobicContact CB-CB 4.32Å; N942-E945 VanDerWaalsContact CB-CD 3.48Å; N942-E945 HydrophobicContact CB-CG 4.12Å; N942-E945 WeakPolarHBondContact CB-OE1 3Å; N942-E945 PolarHBondContact ND2-OE1 3.12Å; N942-E945 PolarHBondContact O-N 3.11Å; N942-E945 VanDerWaalsContact O-N 3.17Å; N942-V946 PolarHBondContact O-N 2.83Å
943Q53.6Low53.5Low83 Ų8392.1 Ų92.139%0.38845%0.451SS..Hα-helixtrans-54.8-45.8-177.4-135.9161.7-17.600111.4F203 E945 V946 D947F203-Q943 HydrophobicContact CE1-CB 4.21Å; F203-Q943 HydrophobicContact CE1-CG 3.89Å; F203-Q943 HydrophobicContact CE2-CB 4.38Å; F203-Q943 HydrophobicContact CE2-CG 4.38Å; F203-Q943 HydrophobicContact CZ-CB 3.47Å; F203-Q943 VanDerWaalsContact CZ-CB 3.47Å; F203-Q943 HydrophobicContact CZ-CG 3.46Å; F203-Q943 VanDerWaalsContact CZ-CG 3.46Å; Q943-E945 VanDerWaalsContact C-N 3.25Å; Q943-E945 PolarHBondContact O-N 3.08Å; Q943-V946 PolarHBondContact O-N 3.3Å; Q943-V946 VanDerWaalsContact O-N 3.13Å; Q943-D947 WeakPolarHBondContact O-CB 3.37Å; Q943-D947 VanDerWaalsContact O-CG 3.28Å; Q943-D947 PolarHBondContact O-N 3.24Å
944K59.5Low56.6Low123 Ų12383.7 Ų83.754%0.53541%0.413SS..Hα-helixtrans-60.6-33.4-174.6-60-178.6179.8-1780112.5N942 N948N942-K944 PolarHBondContact O-N 3.01Å; K944-N948 WeakPolarHBondContact O-CB 3.45Å; K944-N948 PolarHBondContact O-N 3.18Å; K944-N948 PolarHBondContact O-ND2 2.87Å; K944-N948 VanDerWaalsContact O-ND2 3.15Å; K944-N948 PolarHBondContact O-OD1 3.35Å
945E61Low59.7Low69 Ų6976.5 Ų76.532%0.32237%0.374SS..Hα-helixtrans-71.8-44.9177.7-73.5156.6-132.800110.7N942 Q943 N948 I949N942-E945 HydrophobicContact CB-CB 4.32Å; N942-E945 VanDerWaalsContact CB-CD 3.48Å; N942-E945 HydrophobicContact CB-CG 4.12Å; N942-E945 WeakPolarHBondContact CB-OE1 3Å; N942-E945 PolarHBondContact ND2-OE1 3.12Å; N942-E945 PolarHBondContact O-N 3.11Å; N942-E945 VanDerWaalsContact O-N 3.17Å; Q943-E945 VanDerWaalsContact C-N 3.25Å; Q943-E945 PolarHBondContact O-N 3.08Å; E945-N948 PolarHBondContact O-N 3.36Å; E945-I949 WeakPolarHBondContact O-CG1 3.5Å; E945-I949 PolarHBondContact O-N 3.44Å; E945-I949 VanDerWaalsContact O-N 3.15Å
946V64.3Low62.8Low2 Ų268.3 Ų68.31%0.01234%0.336CS..Hα-helixtrans-70.8-38.4178.3-1730000112.1L620 L759 I941 N942 Q943 N948 I949 L950L620-V946 HydrophobicContact CD2-CG1 4.13Å; L759-V946 HydrophobicContact CD1-CG1 3.52Å; L759-V946 HydrophobicContact CD2-CB 4.13Å; L759-V946 HydrophobicContact CD2-CG1 3.62Å; L759-V946 HydrophobicContact CD2-CG2 4.4Å; L759-V946 HydrophobicContact CG-CG1 4.2Å; I941-V946 HydrophobicContact CG2-CG2 3.6Å; N942-V946 PolarHBondContact O-N 2.83Å; Q943-V946 PolarHBondContact O-N 3.3Å; Q943-V946 VanDerWaalsContact O-N 3.13Å; V946-N948 VanDerWaalsContact C-N 3.32Å; V946-N948 PolarHBondContact O-N 3.26Å; V946-I949 WeakPolarHBondContact O-CB 3.44Å; V946-I949 PolarHBondContact O-N 3.15Å; V946-I949 VanDerWaalsContact O-N 3.14Å; V946-L950 HydrophobicContact CG1-CD1 4.26Å; V946-L950 PolarHBondContact O-N 2.95Å
947D67.2Low65.8Low40 Ų4059.3 Ų59.321%0.21430%0.297CS..Hα-helixtrans-60.4-42.7170.4-71-33.5000110.3Q943 I949 L950 N951Q943-D947 WeakPolarHBondContact O-CB 3.37Å; Q943-D947 VanDerWaalsContact O-CG 3.28Å; Q943-D947 PolarHBondContact O-N 3.24Å; D947-I949 PolarHBondContact O-N 2.97Å; D947-L950 PolarHBondContact O-N 3.44Å; D947-N951 VanDerWaalsContact O-CB 3.27Å; D947-N951 WeakPolarHBondContact O-CB 3.21Å; D947-N951 PolarHBondContact O-N 2.88Å; D947-N951 PolarHBondContact O-ND2 3.28Å
948N68.9Low68.8Low104 Ų10455.3 Ų55.356%0.55627%0.269SS*.Hα-helixtrans-68.4-12.8176.6-74.8-14.9000114.4K738 K944 E945 V946K738-N948 PolarHBondContact NZ-O 3.38Å; K944-N948 WeakPolarHBondContact O-CB 3.45Å; K944-N948 PolarHBondContact O-N 3.18Å; K944-N948 PolarHBondContact O-ND2 2.87Å; K944-N948 VanDerWaalsContact O-ND2 3.15Å; K944-N948 PolarHBondContact O-OD1 3.35Å; E945-N948 PolarHBondContact O-N 3.36Å; V946-N948 VanDerWaalsContact C-N 3.32Å; V946-N948 PolarHBondContact O-N 3.26Å
949I70.5Confident71.7Confident12 Ų1247.9 Ų47.96%0.06223%0.23CC..Hα-helixtrans-89.2-42.7171.8-69.6164.2000111L620 L681 Y743 E945 V946 D947L620-I949 HydrophobicContact CD1-CG2 4.16Å; L681-I949 HydrophobicContact CD2-CG2 4.31Å; Y743-I949 HydrophobicContact CD2-CD1 4.28Å; Y743-I949 HydrophobicContact CE1-CD1 4.25Å; Y743-I949 HydrophobicContact CE2-CD1 3.58Å; Y743-I949 HydrophobicContact CE2-CG1 3.63Å; Y743-I949 VanDerWaalsContact OH-CG2 3.29Å; Y743-I949 WeakPolarHBondContact OH-CG2 3.15Å; E945-I949 WeakPolarHBondContact O-CG1 3.5Å; E945-I949 PolarHBondContact O-N 3.44Å; E945-I949 VanDerWaalsContact O-N 3.15Å; V946-I949 WeakPolarHBondContact O-CB 3.44Å; V946-I949 PolarHBondContact O-N 3.15Å; V946-I949 VanDerWaalsContact O-N 3.14Å; D947-I949 PolarHBondContact O-N 2.97Å
950L76Confident74.2Confident1 Ų144.3 Ų44.31%0.00521%0.208CC..Hα-helixtrans-81.6-27-177.8-67.3176.3000113.3A622 L693 L759 V946 D947 Q953A622-L950 HydrophobicContact CB-CD1 3.98Å; L693-L950 HydrophobicContact CD1-CB 4.46Å; L693-L950 HydrophobicContact CD2-CB 4.24Å; L759-L950 HydrophobicContact CD1-CD1 4.44Å; V946-L950 HydrophobicContact CG1-CD1 4.26Å; V946-L950 PolarHBondContact O-N 2.95Å; D947-L950 PolarHBondContact O-N 3.44Å; L950-Q953 WeakPolarHBondContact O-CG 3.35Å; L950-Q953 PolarHBondContact O-NE2 3.42Å
951N78Confident76.5Confident17 Ų1733 Ų339%0.09117%0.165CC..SBendtrans-80.8157173.2-74.2-97.4000111.8R772 D947R772-N951 PolarHBondContact NH1-OD1 3.42Å; R772-N951 PolarHBondContact NH2-OD1 3.45Å; D947-N951 VanDerWaalsContact O-CB 3.27Å; D947-N951 WeakPolarHBondContact O-CB 3.21Å; D947-N951 PolarHBondContact O-N 2.88Å; D947-N951 PolarHBondContact O-ND2 3.28Å
952N83.8Confident78.1Confident95 Ų9531.9 Ų31.951%0.50816%0.159SC..SBendtrans65.754.9-179.6-56.410.7000112.7L693 S695 S733L693-N952 PolarHBondContact O-N 3.31Å; S695-N952 WeakPolarHBondContact OG-CA 3.39Å; S695-N952 WeakPolarHBondContact OG-CB 3.23Å; S733-N952 PolarHBondContact OG-O 3.41Å
953Q89.6Confident79.6Confident0 Ų028.4 Ų28.40%014%0.14CC..EExtended strand (participates in β ladder)trans-92.3158.7170.3-55.2-167.3-9.500112S683 L693 C694 S695 D696 A731 L950S683-Q953 VanDerWaalsContact CB-OE1 3.27Å; S683-Q953 PolarHBondContact OG-NE2 2.93Å; S683-Q953 PolarHBondContact OG-OE1 3.17Å; L693-Q953 PolarHBondContact O-N 3.18Å; L693-Q953 VanDerWaalsContact O-N 3.15Å; C694-Q953 CarbonylContact C-O 3.47Å; C694-Q953 WeakPolarHBondContact CA-O 3.16Å; C694-Q953 WeakPolarHBondContact CB-O 3.47Å; S695-Q953 PolarHBondContact N-O 2.97Å; D696-Q953 PolarHBondContact N-O 2.89Å; A731-Q953 HydrophobicContact CB-CB 4.18Å; A731-Q953 VanDerWaalsContact CB-OE1 3.3Å; L950-Q953 WeakPolarHBondContact O-CG 3.35Å; L950-Q953 PolarHBondContact O-NE2 3.42Å
954I92.2Very high81.1Confident10 Ų1026.7 Ų26.75%0.05113%0.132CC..EExtended strand (participates in β ladder)trans-97.7117.2172.8-57.9155.2000107.7D696 W698 I703 A731 Y732 P734D696-I954 HydrophobicContact CB-CG1 4.05Å; D696-I954 WeakPolarHBondContact O-CA 3.45Å; W698-I954 HydrophobicContact CB-CG2 4.07Å; I703-I954 HydrophobicContact CD1-CD1 3.64Å; I703-I954 HydrophobicContact CG1-CD1 4.1Å; I703-I954 HydrophobicContact CG2-CD1 4.24Å; I703-I954 HydrophobicContact CG2-CG1 4.03Å; I703-I954 HydrophobicContact CG2-CG2 4.36Å; A731-I954 CarbonylContact C-O 3.53Å; A731-I954 VanDerWaalsContact CA-O 3.29Å; A731-I954 WeakPolarHBondContact CA-O 3.5Å; Y732-I954 HydrophobicContact CD1-CD1 3.85Å; Y732-I954 HydrophobicContact CE1-CD1 4.21Å; Y732-I954 PolarHBondContact N-O 3.32Å; Y732-I954 WeakPolarHBondContact O-CB 3.47Å; Y732-I954 PolarHBondContact O-N 3.2Å; P734-I954 HydrophobicContact CG-CD1 4.48Å
955F94.3Very high82.5Confident1 Ų121.6 Ų21.60%0.00411%0.113CC..EExtended strand (participates in β ladder)trans-69.5129.3176.4-179.8-96.6000110.9F417 F419 C694 D696 W698 I714 L958F417-F955 HydrophobicContact CD1-CE1 4.27Å; F417-F955 HydrophobicContact CD1-CZ 4.2Å; F417-F955 AromaticContact CE1-CE1 3.95Å; F417-F955 HydrophobicContact CE1-CE1 3.95Å; F417-F955 HydrophobicContact CE1-CZ 4.1Å; F419-F955 AromaticContact CD2-CD1 3.89Å; F419-F955 HydrophobicContact CD2-CD1 3.89Å; F419-F955 AromaticContact CD2-CE1 3.91Å; F419-F955 HydrophobicContact CD2-CE1 3.91Å; F419-F955 AromaticContact CE2-CD1 3.86Å; F419-F955 HydrophobicContact CE2-CD1 3.86Å; F419-F955 AromaticContact CE2-CE1 3.75Å; F419-F955 HydrophobicContact CE2-CE1 3.75Å; C694-F955 HydrophobicContact CB-CB 4.16Å; D696-F955 PolarHBondContact O-N 2.97Å; W698-F955 PolarHBondContact N-O 2.88Å; I714-F955 HydrophobicContact CD1-CD1 3.88Å; I714-F955 HydrophobicContact CD1-CD2 4Å; I714-F955 HydrophobicContact CD1-CE1 4.03Å; I714-F955 HydrophobicContact CD1-CE2 4.15Å; I714-F955 HydrophobicContact CD1-CG 3.86Å; I714-F955 HydrophobicContact CD1-CZ 4.16Å; I714-F955 HydrophobicContact CG1-CD1 4.32Å; I714-F955 HydrophobicContact CG1-CE1 3.95Å; I714-F955 HydrophobicContact CG1-CE2 4.24Å; I714-F955 HydrophobicContact CG1-CZ 3.9Å; I714-F955 HydrophobicContact CG2-CE2 3.87Å; I714-F955 HydrophobicContact CG2-CZ 4.1Å; F955-L958 HydrophobicContact CE2-CD1 4.33Å; F955-L958 HydrophobicContact CE2-CG 4.15Å; F955-L958 HydrophobicContact CZ-CD1 3.99Å; F955-L958 HydrophobicContact CZ-CG 3.93Å
956L93Very high83.7Confident6 Ų618.4 Ų18.43%0.03110%0.098CC..EExtended strand (participates in β ladder)trans-101.5-49.1177-55.5179.8000112.1F418 P550 I551 W698 F730F418-L956 WeakPolarHBondContact CB-O 3.36Å; P550-L956 HydrophobicContact CB-CD1 3.93Å; P550-L956 HydrophobicContact CB-CD2 3.93Å; I551-L956 HydrophobicContact CD1-CB 4.46Å; I551-L956 HydrophobicContact CG1-CB 3.74Å; W698-L956 HydrophobicContact CB-CD2 3.88Å; W698-L956 HydrophobicContact CG-CD2 4.36Å; F730-L956 HydrophobicContact CB-CB 4.36Å; F730-L956 WeakPolarHBondContact O-CB 3.34Å; F730-L956 PolarHBondContact O-N 3.45Å
957G92.6Very high84.7Confident1 Ų121.7 Ų21.71%0.0112%0.119CC..EExtended strand (participates in β ladder)trans171.7178.8-177.300000115.6F417 G729 F730F417-G957 CarbonylContact O-C 3.56Å; F417-G957 WeakPolarHBondContact O-CA 3.33Å; G729-G957 CarbonylContact C-O 3.6Å; G729-G957 VanDerWaalsContact CA-O 3.27Å; G729-G957 WeakPolarHBondContact CA-O 3.35Å; F730-G957 PolarHBondContact N-O 2.98Å; F730-G957 PolarHBondContact O-N 3.38Å
958L91.8Very high85.5Confident1 Ų123.5 Ų23.51%0.00513%0.127CC..EExtended strand (participates in β ladder)trans-128.2141.3177.7-78.2157000110.3M416 F417 I714 F717 I728 G729 F955M416-L958 CarbonylContact C-O 3.52Å; M416-L958 WeakPolarHBondContact CA-O 3.49Å; F417-L958 HydrophobicContact CB-CB 4.27Å; F417-L958 HydrophobicContact CD1-CB 4.29Å; F417-L958 HydrophobicContact CD1-CD1 4.13Å; F417-L958 PolarHBondContact N-O 3.33Å; F417-L958 PolarHBondContact O-N 2.85Å; I714-L958 HydrophobicContact CG2-CD1 3.89Å; F717-L958 HydrophobicContact CB-CD1 4.5Å; F717-L958 HydrophobicContact CD1-CB 4.02Å; F717-L958 HydrophobicContact CD1-CD1 4.01Å; F717-L958 HydrophobicContact CE1-CB 4.1Å; I728-L958 CarbonylContact O-C 3.58Å; I728-L958 WeakPolarHBondContact O-CA 3.42Å; G729-L958 VanDerWaalsContact CA-CD2 3.49Å; F955-L958 HydrophobicContact CE2-CD1 4.33Å; F955-L958 HydrophobicContact CE2-CG 4.15Å; F955-L958 HydrophobicContact CZ-CD1 3.99Å; F955-L958 HydrophobicContact CZ-CG 3.93Å
959I91Very high86.5Confident1 Ų118.6 Ų18.61%0.00510%0.1CC..EExtended strand (participates in β ladder)trans-118.6131.3172.8-62.3-178.7000109.1P413 K415 M416 I555 L597 L600 C727 I728 F730 M961P413-I959 HydrophobicContact CB-CG2 3.8Å; K415-I959 CarbonylContact O-C 3.33Å; K415-I959 WeakPolarHBondContact O-CA 3.34Å; M416-I959 HydrophobicContact CE-CD1 4.31Å; M416-I959 HydrophobicContact CG-CG1 4.15Å; I555-I959 HydrophobicContact CD1-CD1 3.87Å; L597-I959 HydrophobicContact CD1-CD1 4.25Å; L600-I959 HydrophobicContact CD2-CD1 3.82Å; C727-I959 WeakPolarHBondContact CA-O 3.44Å; I728-I959 PolarHBondContact N-O 3.36Å; I728-I959 PolarHBondContact O-N 3.23Å; F730-I959 HydrophobicContact CE2-CB 4.34Å; F730-I959 HydrophobicContact CE2-CD1 3.68Å; F730-I959 HydrophobicContact CE2-CG1 3.89Å; F730-I959 HydrophobicContact CZ-CD1 4.26Å; I959-M961 HydrophobicContact CG2-CG 3.94Å
960S88.9Confident87.4Confident0 Ų019.1 Ų19.10%010%0.104CC..EExtended strand (participates in β ladder)trans-101.9134.2171.1176.80000110.1E414 K415 H721 A725 Y726E414-S960 PolarHBondContact N-O 3.33Å; K415-S960 PolarHBondContact N-O 2.72Å; K415-S960 PolarHBondContact O-N 3.18Å; H721-S960 PolarHBondContact CD2-OG 3.42Å; A725-S960 WeakPolarHBondContact CB-OG 3.41Å; Y726-S960 CarbonylContact O-C 3.44Å; Y726-S960 WeakPolarHBondContact O-CA 3.22Å
961M85.6Confident88.1Confident5 Ų525.5 Ų25.53%0.02513%0.132CC..EExtended strand (participates in β ladder)trans-130.5137.9-174.8-52.4-175.259.800111.5P411 T412 P413 L593 F595 L597 Y726 I728 I959P411-M961 HydrophobicContact CB-CB 4.49Å; P411-M961 VanDerWaalsContact O-CE 3.26Å; P411-M961 WeakPolarHBondContact O-CE 3.45Å; T412-M961 CarbonylContact O-C 3.33Å; T412-M961 VanDerWaalsContact O-CA 3.28Å; T412-M961 WeakPolarHBondContact O-CA 3.35Å; P413-M961 HydrophobicContact CB-CG 4.28Å; L593-M961 HydrophobicContact CD2-CE 3.68Å; L593-M961 HydrophobicContact CD2-SD 3.76Å; L593-M961 HydrophobicContact CG-SD 4.26Å; F595-M961 HydrophobicContact CE2-CE 3.9Å; F595-M961 HydrophobicContact CZ-CE 3.57Å; L597-M961 HydrophobicContact CD1-SD 4.41Å; L597-M961 HydrophobicContact CD2-CE 3.94Å; Y726-M961 PolarHBondContact N-O 2.69Å; Y726-M961 PolarHBondContact O-N 2.75Å; I728-M961 HydrophobicContact CD1-SD 4.36Å; I959-M961 HydrophobicContact CG2-CG 3.94Å
962Q85.1Confident88.5Confident16 Ų1625.2 Ų25.28%0.07513%0.131CC..EExtended strand (participates in β ladder)trans-144.1154.9-177.6-65.4-169.624.100111.9P411 T412 E414 A725 V996P411-Q962 CarbonylContact C-O 3.58Å; P411-Q962 WeakPolarHBondContact CA-O 3.39Å; T412-Q962 PolarHBondContact N-O 2.69Å; T412-Q962 PolarHBondContact O-N 2.73Å; T412-Q962 PolarHBondContact OG1-O 3.25Å; E414-Q962 WeakPolarHBondContact OE2-CG 3.43Å; E414-Q962 PolarHBondContact OE2-NE2 3.15Å; E414-Q962 PolarHBondContact OE2-OE1 3.21Å; A725-Q962 HydrophobicContact CB-CG 3.55Å; Q962-V996 VanDerWaalsContact OE1-CG1 3.24Å
963Y84.5Confident88.8Confident9 Ų920.7 Ų20.74%0.03511%0.107CC..PPolyproline II helixtrans-68.2140.1171.6-75.7-66.1000111.7E403 P411 Y726 R1000E403-Y963 HydrophobicContact CG-CE1 4Å; E403-Y963 HydrophobicContact CG-CE2 4.37Å; E403-Y963 PolarHBondContact OE1-OH 3.32Å; P411-Y963 HydrophobicContact CB-CD1 4.15Å; P411-Y963 HydrophobicContact CB-CE1 4.21Å; P411-Y963 HydrophobicContact CB-CG 4.32Å; P411-Y963 HydrophobicContact CG-CE1 4.35Å; Y726-Y963 HydrophobicContact CE2-CE2 4.24Å; Y963-R1000 PolarHBondContact O-NH1 2.83Å; Y963-R1000 VanDerWaalsContact O-NH1 3.11Å
964Q85.5Confident88.7Confident47 Ų4726.2 Ų26.222%0.2213%0.131CC..PPolyproline II helixtrans-100.7134.7173.5-60.9-64.5-3.200110.5S407 Q408 T412S407-Q964 CarbonylContact C-O 3.6Å; S407-Q964 WeakPolarHBondContact CA-O 3.36Å; S407-Q964 WeakPolarHBondContact CB-O 3.42Å; Q408-Q964 HydrophobicContact CG-CB 4.39Å; Q408-Q964 PolarHBondContact N-O 3.46Å; T412-Q964 HydrophobicContact CG2-CG 4.17Å; T412-Q964 WeakPolarHBondContact OG1-CG 3.39Å; T412-Q964 PolarHBondContact OG1-NE2 2.94Å; T412-Q964 VanDerWaalsContact OG1-NE2 3.12Å
965A88.6Confident88.5Confident16 Ų1627.9 Ų27.913%0.13214%0.138CC..BIsolated β-bridgetrans-73.2140.7176.800000111.5V970 F997 R1000 L1001A965-V970 HydrophobicContact CB-CG2 3.89Å; A965-F997 HydrophobicContact CB-CE2 4.15Å; A965-F997 HydrophobicContact CB-CZ 4.43Å; A965-R1000 HydrophobicContact CB-CB 4.12Å; A965-L1001 HydrophobicContact CB-CD2 3.98Å
966N86.5Confident88.2Confident3 Ų327.9 Ų27.92%0.01614%0.138CC..PPolyproline II helixtrans-70.2121.6175.1178.2-20.6000110.1I406 F528 Q968 V969 V970I406-N966 WeakPolarHBondContact O-CB 3.47Å; I406-N966 PolarHBondContact O-N 3.47Å; F528-N966 HydrophobicContact CE2-CB 3.88Å; F528-N966 HydrophobicContact CZ-CB 3.94Å; N966-Q968 PolarHBondContact O-N 3.37Å; N966-Q968 WeakPolarHBondContact OD1-CB 3.49Å; N966-Q968 PolarHBondContact OD1-N 2.95Å; N966-V969 HydrophobicContact CB-CB 4.14Å; N966-V969 HydrophobicContact CB-CG2 3.81Å; N966-V969 WeakPolarHBondContact O-CB 3.44Å; N966-V969 PolarHBondContact O-N 3.15Å; N966-V970 PolarHBondContact O-N 3.14Å
967P85.6Confident87.8Confident71 Ų7130.1 Ų30.146%0.46115%0.149SC..Hα-helixtrans-63.7-25.8-175.325.3-34.5000113.6F528 K971F528-P967 HydrophobicContact CD1-CG 4.49Å; F528-P967 HydrophobicContact CD2-CG 4.49Å; F528-P967 HydrophobicContact CG-CG 4.24Å; P967-K971 PolarHBondContact O-N 2.75Å; P967-K971 VanDerWaalsContact O-N 3.15Å
968Q84.3Confident87.3Confident78 Ų7835.7 Ų35.736%0.36417%0.174SC..Hα-helixtrans-67.2-42171.7-61.5-175.2-3.400111.3N966 K971 S972 F1340N966-Q968 PolarHBondContact O-N 3.37Å; N966-Q968 WeakPolarHBondContact OD1-CB 3.49Å; N966-Q968 PolarHBondContact OD1-N 2.95Å; Q968-K971 WeakPolarHBondContact O-CB 3.26Å; Q968-K971 PolarHBondContact O-N 3.06Å; Q968-S972 PolarHBondContact O-N 3.21Å; Q968-S972 PolarHBondContact O-OG 3.24Å; Q968-F1340 HydrophobicContact CB-CB 4.23Å
969V88.1Confident86.7Confident0 Ų035.6 Ų35.60%017%0.174CC..Hα-helixtrans-65.3-44.9178.6177.40000110.3I406 N966 K971 S972 I973 L1001 F1340I406-V969 HydrophobicContact CB-CG1 4.06Å; I406-V969 HydrophobicContact CG2-CG1 3.84Å; I406-V969 HydrophobicContact CG2-CG2 4.44Å; N966-V969 HydrophobicContact CB-CB 4.14Å; N966-V969 HydrophobicContact CB-CG2 3.81Å; N966-V969 WeakPolarHBondContact O-CB 3.44Å; N966-V969 PolarHBondContact O-N 3.15Å; V969-K971 VanDerWaalsContact C-N 3.26Å; V969-K971 PolarHBondContact O-N 2.93Å; V969-S972 PolarHBondContact O-N 3.49Å; V969-S972 VanDerWaalsContact O-N 3.12Å; V969-I973 HydrophobicContact CG1-CD1 3.85Å; V969-I973 HydrophobicContact CG1-CG1 4.26Å; V969-I973 WeakPolarHBondContact O-CG1 3.48Å; V969-I973 PolarHBondContact O-N 3.45Å; V969-L1001 HydrophobicContact CG1-CD2 4.38Å; V969-F1340 HydrophobicContact CB-CD1 4.27Å; V969-F1340 HydrophobicContact CG1-CD1 4.42Å; V969-F1340 HydrophobicContact CG1-CE1 4.27Å; V969-F1340 HydrophobicContact CG2-CB 3.9Å; V969-F1340 HydrophobicContact CG2-CD1 3.8Å; V969-F1340 HydrophobicContact CG2-CD2 3.95Å; V969-F1340 HydrophobicContact CG2-CE1 4.3Å; V969-F1340 HydrophobicContact CG2-CE2 4.42Å; V969-F1340 HydrophobicContact CG2-CG 3.61Å
970V91Very high86.3Confident24 Ų2435.9 Ų35.915%0.14518%0.176CC..Hα-helixtrans-57.7-38.7175.1178.60000111.8A965 N966 K974A965-V970 HydrophobicContact CB-CG2 3.89Å; N966-V970 PolarHBondContact O-N 3.14Å; V970-K974 HydrophobicContact CG1-CD 4.4Å; V970-K974 WeakPolarHBondContact O-CG 3.12Å; V970-K974 PolarHBondContact O-N 2.88Å
971K89.2Confident86.1Confident135 Ų13536 Ų3659%0.58718%0.176SC*.Hα-helixtrans-65.8-48.5174.2-171.7-164.6169.9-166.90111.2P967 Q968 V969 I973 K974 Q975P967-K971 PolarHBondContact O-N 2.75Å; P967-K971 VanDerWaalsContact O-N 3.15Å; Q968-K971 WeakPolarHBondContact O-CB 3.26Å; Q968-K971 PolarHBondContact O-N 3.06Å; V969-K971 VanDerWaalsContact C-N 3.26Å; V969-K971 PolarHBondContact O-N 2.93Å; K971-I973 PolarHBondContact O-N 3.1Å; K971-K974 PolarHBondContact O-N 2.78Å; K971-Q975 WeakPolarHBondContact O-CG 3.36Å; K971-Q975 PolarHBondContact O-N 2.78Å
972S86.8Confident86.1Confident10 Ų1037.5 Ų37.57%0.0718%0.182CC..Hα-helixtrans-64.1-38179.3-660000112.8Q968 V969 K974 Q975 L976 F1340Q968-S972 PolarHBondContact O-N 3.21Å; Q968-S972 PolarHBondContact O-OG 3.24Å; V969-S972 PolarHBondContact O-N 3.49Å; V969-S972 VanDerWaalsContact O-N 3.12Å; S972-K974 PolarHBondContact O-N 3.43Å; S972-Q975 WeakPolarHBondContact O-CB 3.38Å; S972-Q975 PolarHBondContact O-N 3.12Å; S972-Q975 VanDerWaalsContact O-N 3.14Å; S972-L976 WeakPolarHBondContact O-CG 3.27Å; S972-L976 PolarHBondContact O-N 3.31Å; S972-F1340 PolarHBondContact OG-O 3.21Å
973I89.8Confident86.4Confident0 Ų036.7 Ų36.70%018%0.178CC..Hα-helixtrans-59-46.2172.9-70.8171.6000110.4V969 K971 Q975 L976 H977 F983 L1001 L1003V969-I973 HydrophobicContact CG1-CD1 3.85Å; V969-I973 HydrophobicContact CG1-CG1 4.26Å; V969-I973 WeakPolarHBondContact O-CG1 3.48Å; V969-I973 PolarHBondContact O-N 3.45Å; K971-I973 PolarHBondContact O-N 3.1Å; I973-Q975 VanDerWaalsContact C-N 3.27Å; I973-Q975 PolarHBondContact O-N 2.82Å; I973-L976 PolarHBondContact O-N 3.01Å; I973-H977 PolarHBondContact O-N 3.39Å; I973-F983 HydrophobicContact CD1-CD1 3.82Å; I973-F983 HydrophobicContact CD1-CD2 4.33Å; I973-F983 HydrophobicContact CD1-CE1 3.77Å; I973-F983 HydrophobicContact CD1-CE2 4.3Å; I973-F983 HydrophobicContact CD1-CG 4.09Å; I973-F983 HydrophobicContact CD1-CZ 4.01Å; I973-F983 HydrophobicContact CG1-CB 4.32Å; I973-F983 HydrophobicContact CG1-CD1 4.07Å; I973-F983 HydrophobicContact CG1-CD2 3.84Å; I973-F983 HydrophobicContact CG1-CE1 4.33Å; I973-F983 HydrophobicContact CG1-CE2 4.12Å; I973-F983 HydrophobicContact CG1-CG 3.8Å; I973-F983 HydrophobicContact CG1-CZ 4.35Å; I973-F983 HydrophobicContact CG2-CB 4.31Å; I973-L1001 HydrophobicContact CD1-CB 4.07Å; I973-L1001 HydrophobicContact CD1-CD2 4.09Å; I973-L1003 HydrophobicContact CG2-CD2 3.82Å
974K87.9Confident86.8Confident117 Ų11736.3 Ų36.351%0.50918%0.177SC..Hα-helixtrans-62.1-34.3176.4-71.2170.6-177.2177.50112.3V970 K971 S972 Q978V970-K974 HydrophobicContact CG1-CD 4.4Å; V970-K974 WeakPolarHBondContact O-CG 3.12Å; V970-K974 PolarHBondContact O-N 2.88Å; K971-K974 PolarHBondContact O-N 2.78Å; S972-K974 PolarHBondContact O-N 3.43Å; K974-Q978 VanDerWaalsContact O-CG 3.23Å; K974-Q978 WeakPolarHBondContact O-CG 3.36Å; K974-Q978 PolarHBondContact O-N 2.71Å; K974-Q978 VanDerWaalsContact O-N 3.13Å
975Q87.9Confident87.2Confident44 Ų4434.1 Ų34.121%0.20617%0.166CC..Hα-helixtrans-71.1-41.5174-67.8175.1-112.300112.3K971 S972 I973 Q978 A979 Y1343K971-Q975 WeakPolarHBondContact O-CG 3.36Å; K971-Q975 PolarHBondContact O-N 2.78Å; S972-Q975 WeakPolarHBondContact O-CB 3.38Å; S972-Q975 PolarHBondContact O-N 3.12Å; S972-Q975 VanDerWaalsContact O-N 3.14Å; I973-Q975 VanDerWaalsContact C-N 3.27Å; I973-Q975 PolarHBondContact O-N 2.82Å; Q975-Q978 PolarHBondContact O-N 3.22Å; Q975-A979 WeakPolarHBondContact O-CB 3.34Å; Q975-A979 PolarHBondContact O-N 2.62Å; Q975-Y1343 HydrophobicContact CB-CD1 4.13Å; Q975-Y1343 HydrophobicContact CB-CD2 3.56Å; Q975-Y1343 HydrophobicContact CB-CE1 4.26Å; Q975-Y1343 HydrophobicContact CB-CE2 3.71Å; Q975-Y1343 HydrophobicContact CB-CG 3.79Å
976L87.5Confident87.3Confident1 Ų133.4 Ų33.41%0.00516%0.16CC..Hα-helixtrans-62.1-45.3174.9-70.1168.2000111.9V397 S972 I973 Q978 A979 C980 I981 F983 Y1343 I1346V397-L976 HydrophobicContact CB-CD1 4.33Å; V397-L976 HydrophobicContact CG1-CD1 4.5Å; V397-L976 HydrophobicContact CG2-CD1 4.14Å; V397-L976 HydrophobicContact CG2-CD2 4.25Å; S972-L976 WeakPolarHBondContact O-CG 3.27Å; S972-L976 PolarHBondContact O-N 3.31Å; I973-L976 PolarHBondContact O-N 3.01Å; L976-Q978 VanDerWaalsContact C-N 3.35Å; L976-Q978 PolarHBondContact O-N 3.46Å; L976-A979 CarbonylContact O-C 3.41Å; L976-A979 WeakPolarHBondContact O-CA 3.48Å; L976-A979 WeakPolarHBondContact O-CB 3.41Å; L976-A979 PolarHBondContact O-N 2.67Å; L976-C980 PolarHBondContact O-N 3.49Å; L976-C980 VanDerWaalsContact O-N 3.11Å; L976-I981 CarbonylContact C-O 3.56Å; L976-I981 HydrophobicContact CB-CB 4.37Å; L976-I981 HydrophobicContact CD2-CB 4.09Å; L976-I981 HydrophobicContact CD2-CD1 4.15Å; L976-I981 HydrophobicContact CD2-CG2 4.05Å; L976-I981 PolarHBondContact O-N 3.27Å; L976-F983 HydrophobicContact CD1-CD2 4.25Å; L976-Y1343 HydrophobicContact CD2-CD2 4.21Å; L976-Y1343 HydrophobicContact CG-CD2 4.45Å; L976-I1346 HydrophobicContact CD2-CD1 3.75Å
977H84.8Confident87.4Confident54 Ų5433.4 Ų33.425%0.2516%0.16CC..Hα-helixtrans-64.7-36.8175.7-71.9-174000112.2I973 A979 C980 F983I973-H977 PolarHBondContact O-N 3.39Å; H977-A979 VanDerWaalsContact C-N 3.26Å; H977-A979 PolarHBondContact O-N 3.5Å; H977-C980 PolarHBondContact O-N 3.18Å; H977-C980 VanDerWaalsContact O-N 3.12Å; H977-F983 PolarHBondContact NE2-N 3.14Å
978Q81.8Confident87.1Confident117 Ų11734.1 Ų34.155%0.54715%0.154SC..Hα-helixtrans-63.4-33.2171.5-74.717431.200112.6K974 Q975 L976 C980 R1688K974-Q978 VanDerWaalsContact O-CG 3.23Å; K974-Q978 WeakPolarHBondContact O-CG 3.36Å; K974-Q978 PolarHBondContact O-N 2.71Å; K974-Q978 VanDerWaalsContact O-N 3.13Å; Q975-Q978 PolarHBondContact O-N 3.22Å; L976-Q978 VanDerWaalsContact C-N 3.35Å; L976-Q978 PolarHBondContact O-N 3.46Å; Q978-C980 VanDerWaalsContact C-N 3.29Å; Q978-C980 PolarHBondContact O-N 3.49Å; Q978-R1688 PolarHBondContact O-NH2 2.93Å
979A80Confident86.8Confident0 Ų031.3 Ų31.30%014%0.141CC..THydrogen-bonded Turntrans-79.10.3173.800000114.8Q975 L976 H977 I981 Y1343 L1478Q975-A979 WeakPolarHBondContact O-CB 3.34Å; Q975-A979 PolarHBondContact O-N 2.62Å; L976-A979 CarbonylContact O-C 3.41Å; L976-A979 WeakPolarHBondContact O-CA 3.48Å; L976-A979 WeakPolarHBondContact O-CB 3.41Å; L976-A979 PolarHBondContact O-N 2.67Å; H977-A979 VanDerWaalsContact C-N 3.26Å; H977-A979 PolarHBondContact O-N 3.5Å; A979-I981 HydrophobicContact CB-CD1 4.35Å; A979-I981 HydrophobicContact CB-CG1 4.24Å; A979-I981 PolarHBondContact O-N 3.48Å; A979-Y1343 HydrophobicContact CB-CE2 4.16Å; A979-L1478 WeakPolarHBondContact CA-O 3.13Å; A979-L1478 HydrophobicContact CB-CB 3.74Å; A979-L1478 HydrophobicContact CB-CD2 4.2Å
980C81.8Confident86.2Confident6 Ų632.4 Ų32.44%0.04115%0.147CC..THydrogen-bonded Turntrans62.424-174.9-28.70000114.1L976 H977 Q978 P1482 R1688 F1691L976-C980 PolarHBondContact O-N 3.49Å; L976-C980 VanDerWaalsContact O-N 3.11Å; H977-C980 PolarHBondContact O-N 3.18Å; H977-C980 VanDerWaalsContact O-N 3.12Å; Q978-C980 VanDerWaalsContact C-N 3.29Å; Q978-C980 PolarHBondContact O-N 3.49Å; C980-P1482 WeakPolarHBondContact O-CD 3.44Å; C980-R1688 WeakPolarHBondContact SG-CG 3.32Å; C980-F1691 HydrophobicContact CB-CD1 4.49Å; C980-F1691 HydrophobicContact CB-CD2 4.13Å; C980-F1691 HydrophobicContact CB-CE2 4.35Å; C980-F1691 HydrophobicContact CB-CG 4.2Å; C980-F1691 WeakPolarHBondContact O-CE2 3.45Å
981I85.1Confident85.6Confident3 Ų334.9 Ų34.92%0.01516%0.157CC..PPolyproline II helixtrans-96.9122.4171.7-57.4178.5000107V397 L976 A979 I1346 L1478 P1482V397-I981 HydrophobicContact CG2-CG2 4.02Å; L976-I981 CarbonylContact C-O 3.56Å; L976-I981 HydrophobicContact CB-CB 4.37Å; L976-I981 HydrophobicContact CD2-CB 4.09Å; L976-I981 HydrophobicContact CD2-CD1 4.15Å; L976-I981 HydrophobicContact CD2-CG2 4.05Å; L976-I981 PolarHBondContact O-N 3.27Å; A979-I981 HydrophobicContact CB-CD1 4.35Å; A979-I981 HydrophobicContact CB-CG1 4.24Å; A979-I981 PolarHBondContact O-N 3.48Å; I981-I1346 HydrophobicContact CD1-CG2 3.72Å; I981-L1478 HydrophobicContact CD1-CD2 4.38Å; I981-P1482 HydrophobicContact CG1-CG 4.41Å
982R86.7Confident85.1Confident36 Ų3631.3 Ų31.314%0.13614%0.143CC..EExtended strand (participates in β ladder)trans-76.2127.1-177.7-177.6173.2-70.210812.6110.3S395 S396 V397 V984 L1210 Q1211 F1691S395-R982 PolarHBondContact O-N 3.44Å; S396-R982 CarbonylContact C-O 3.58Å; S396-R982 VanDerWaalsContact CA-O 3.31Å; S396-R982 WeakPolarHBondContact CA-O 3.49Å; V397-R982 PolarHBondContact N-O 2.96Å; R982-V984 HydrophobicContact CG-CG2 3.84Å; R982-L1210 PolarHBondContact NH1-O 3.44Å; R982-Q1211 VanDerWaalsContact CZ-CA 3.46Å; R982-Q1211 PolarHBondContact NE-O 3.04Å; R982-F1691 HydrophobicContact CB-CE2 4.34Å; R982-F1691 HydrophobicContact CB-CZ 4.43Å
983F91.5Very high84.9Confident0 Ų032 Ų320%015%0.145CC..EExtended strand (participates in β ladder)trans-85.7134.4163.1-170.2-92.6000109.4V397 C399 I406 I973 L976 H977 H985 L1003 S1213V397-F983 HydrophobicContact CB-CD2 4.22Å; V397-F983 HydrophobicContact CG1-CD2 3.89Å; V397-F983 HydrophobicContact CG1-CE2 4.03Å; V397-F983 CarbonylContact O-C 3.57Å; V397-F983 WeakPolarHBondContact O-CA 3.27Å; C399-F983 HydrophobicContact CB-CE2 4.39Å; C399-F983 HydrophobicContact CB-CZ 3.8Å; I406-F983 HydrophobicContact CG2-CZ 4.43Å; I973-F983 HydrophobicContact CD1-CD1 3.82Å; I973-F983 HydrophobicContact CD1-CD2 4.33Å; I973-F983 HydrophobicContact CD1-CE1 3.77Å; I973-F983 HydrophobicContact CD1-CE2 4.3Å; I973-F983 HydrophobicContact CD1-CG 4.09Å; I973-F983 HydrophobicContact CD1-CZ 4.01Å; I973-F983 HydrophobicContact CG1-CB 4.32Å; I973-F983 HydrophobicContact CG1-CD1 4.07Å; I973-F983 HydrophobicContact CG1-CD2 3.84Å; I973-F983 HydrophobicContact CG1-CE1 4.33Å; I973-F983 HydrophobicContact CG1-CE2 4.12Å; I973-F983 HydrophobicContact CG1-CG 3.8Å; I973-F983 HydrophobicContact CG1-CZ 4.35Å; I973-F983 HydrophobicContact CG2-CB 4.31Å; L976-F983 HydrophobicContact CD1-CD2 4.25Å; H977-F983 PolarHBondContact NE2-N 3.14Å; F983-H985 HydrophobicContact CE1-CB 4.35Å; F983-L1003 HydrophobicContact CB-CD2 4.37Å; F983-L1003 HydrophobicContact CD1-CD1 4.08Å; F983-L1003 HydrophobicContact CD1-CD2 3.98Å; F983-L1003 HydrophobicContact CE1-CD1 4.42Å; F983-S1213 WeakPolarHBondContact O-CB 3.39Å
984V91.9Very high84.7Confident1 Ų132 Ų321%0.00615%0.145CC..EExtended strand (participates in β ladder)trans-127.5126.8180-177.90000109.1V397 C398 C399 R982 F986 S1213 F1215 M1230V397-V984 PolarHBondContact O-N 3.22Å; C398-V984 CarbonylContact C-O 3.59Å; C398-V984 WeakPolarHBondContact CA-O 3.12Å; C399-V984 PolarHBondContact N-O 3.23Å; R982-V984 HydrophobicContact CG-CG2 3.84Å; V984-F986 HydrophobicContact CG1-CD2 4.3Å; V984-F986 HydrophobicContact CG1-CE2 3.86Å; V984-F986 HydrophobicContact CG1-CZ 4.06Å; V984-S1213 WeakPolarHBondContact CA-O 3.41Å; V984-F1215 HydrophobicContact CG1-CD2 3.57Å; V984-F1215 HydrophobicContact CG1-CE2 3.63Å; V984-M1230 HydrophobicContact CG2-CE 4.35Å
985H93.3Very high84.6Confident1 Ų129.7 Ų29.71%0.00513%0.133CC..EExtended strand (participates in β ladder)trans-105.8122174.5-178-136.7000110.7Q402 F983 L1003 S1213 L1214 F1215Q402-H985 PolarHBondContact OE1-CE1 3.47Å; Q402-H985 VanDerWaalsContact OE1-CE1 3.29Å; F983-H985 HydrophobicContact CE1-CB 4.35Å; H985-L1003 HydrophobicContact CB-CD1 4.24Å; H985-S1213 PolarHBondContact N-O 2.94Å; H985-L1214 HydrophobicContact CB-CD1 4.06Å; H985-F1215 PolarHBondContact O-N 3.33Å
986F91.9Very high84.5Confident1 Ų128.9 Ų28.90%0.00413%0.131CC..EExtended strand (participates in β ladder)trans-9791.5170.6-70.3-78.2000109.4C398 C399 V984 L1013 F1215 C1218 V1223 M1226C398-F986 HydrophobicContact CB-CD2 4.27Å; C398-F986 HydrophobicContact CB-CE2 3.84Å; C399-F986 PolarHBondContact O-N 3.22Å; V984-F986 HydrophobicContact CG1-CD2 4.3Å; V984-F986 HydrophobicContact CG1-CE2 3.86Å; V984-F986 HydrophobicContact CG1-CZ 4.06Å; F986-L1013 HydrophobicContact CD1-CD1 4.16Å; F986-L1013 HydrophobicContact CE1-CD1 4.22Å; F986-F1215 HydrophobicContact CD1-CB 3.59Å; F986-F1215 HydrophobicContact CD1-CD2 4.05Å; F986-F1215 AromaticContact CD1-CG 3.94Å; F986-F1215 HydrophobicContact CD1-CG 3.94Å; F986-F1215 HydrophobicContact CE1-CB 3.91Å; F986-F1215 HydrophobicContact CE1-CD1 4.43Å; F986-F1215 AromaticContact CE1-CD2 3.64Å; F986-F1215 HydrophobicContact CE1-CD2 3.64Å; F986-F1215 HydrophobicContact CE1-CE2 4.36Å; F986-F1215 AromaticContact CE1-CG 3.71Å; F986-F1215 HydrophobicContact CE1-CG 3.71Å; F986-F1215 HydrophobicContact CZ-CD2 4.13Å; F986-C1218 HydrophobicContact CB-CB 4.43Å; F986-V1223 HydrophobicContact CB-CG2 4.08Å; F986-V1223 HydrophobicContact CD1-CG1 4.25Å; F986-V1223 HydrophobicContact CD1-CG2 3.83Å; F986-V1223 HydrophobicContact CD2-CG1 4.23Å; F986-V1223 HydrophobicContact CE2-CG1 4.5Å; F986-V1223 HydrophobicContact CG-CG1 4.1Å; F986-V1223 HydrophobicContact CG-CG2 4.07Å; F986-M1226 HydrophobicContact CE1-CB 4.17Å; F986-M1226 HydrophobicContact CE1-CG 3.96Å; F986-M1226 HydrophobicContact CZ-CB 4.4Å; F986-M1226 HydrophobicContact CZ-CG 4.07Å
987S87.6Confident84.5Confident2 Ų229.2 Ų29.21%0.01413%0.132CC..  trans-82132.4179.5-173.80000111.9E989 S994 F1215 T1216 D1217 C1218S987-E989 VanDerWaalsContact C-N 3.31Å; S987-E989 PolarHBondContact OG-N 3.14Å; S987-E989 VanDerWaalsContact OG-N 3.09Å; S987-S994 WeakPolarHBondContact CB-OG 3.4Å; S987-S994 PolarHBondContact OG-OG 3.14Å; S987-F1215 WeakPolarHBondContact CB-O 3.46Å; S987-F1215 PolarHBondContact N-O 3.2Å; S987-T1216 CarbonylContact O-C 3.53Å; S987-D1217 PolarHBondContact O-N 3.43Å; S987-C1218 WeakPolarHBondContact O-CB 3.45Å; S987-C1218 PolarHBondContact O-N 2.82Å; S987-C1218 PolarHBondContact O-SG 3.47Å
988R80.5Confident84.7Confident86 Ų8626.7 Ų26.733%0.32512%0.12SC..SBendtrans-78.2-17.5167.6-59.8-177.6-174-179.2-0.8112.3C587C587-R988 HydrophobicContact CB-CB 4.18Å; C587-R988 WeakPolarHBondContact CB-O 3.45Å
989E77.2Confident85Confident20 Ų2027.2 Ų27.29%0.09312%0.123CC..SBendtrans-76.7168.3179.5-57.1-163.3104.200111.6Q402 Y726 S987 R993 S994 D1217Q402-E989 PolarHBondContact NE2-OE2 2.85Å; Y726-E989 PolarHBondContact OH-OE1 3.04Å; S987-E989 VanDerWaalsContact C-N 3.31Å; S987-E989 PolarHBondContact OG-N 3.14Å; S987-E989 VanDerWaalsContact OG-N 3.09Å; E989-R993 WeakPolarHBondContact OE1-CD 3.49Å; E989-R993 IonicContact OE1-CZ 2.84Å; E989-R993 IonicContact OE1-NE 3.38Å; E989-R993 IonicContact OE1-NH1 3Å; E989-R993 PolarHBondContact OE1-NH1 3.41Å; E989-R993 WeakPolarHBondContact OE2-CD 3.32Å; E989-S994 PolarHBondContact O-OG 3.38Å; E989-S994 VanDerWaalsContact O-OG 3.12Å; E989-D1217 PolarHBondContact O-N 3.03Å; E989-D1217 VanDerWaalsContact O-N 3.08Å
990N75.6Confident85.4Confident23 Ų2330.5 Ų30.512%0.12314%0.135CC..  trans-66.3162.917872-7.8000112.1T588 L992 R993 S994T588-N990 HydrophobicContact CG2-CB 4.35Å; N990-L992 PolarHBondContact O-N 3.27Å; N990-R993 WeakPolarHBondContact OD1-CB 3.17Å; N990-R993 PolarHBondContact OD1-N 3.48Å; N990-R993 VanDerWaalsContact OD1-N 3.16Å; N990-S994 WeakPolarHBondContact O-CB 3.27Å; N990-S994 PolarHBondContact O-N 3.26Å; N990-S994 PolarHBondContact O-OG 3.28Å
991E78.9Confident85.7Confident76 Ų7630.2 Ų30.236%0.35513%0.134SC..Hα-helixtrans-43.3-56178.8-171.3-172.1164.400114.3S994 R995 H1010E991-S994 PolarHBondContact O-N 2.95Å; E991-R995 WeakPolarHBondContact O-CB 3.15Å; E991-R995 PolarHBondContact O-N 3.12Å; E991-H1010 VanDerWaalsContact CG-NE2 3.34Å; E991-H1010 WeakPolarHBondContact CG-NE2 3.42Å; E991-H1010 IonicContact OE1-CD2 2.74Å; E991-H1010 IonicContact OE1-CE1 3.87Å; E991-H1010 IonicContact OE1-NE2 3.69Å; E991-H1010 PolarHBondContact OE1-NE2 2.81Å
992L79.7Confident85.7Confident59 Ų5931.9 Ų31.931%0.30915%0.151SC..Hα-helixtrans-72.7-38-168.3-69.7171.4000113.6S723 N990 V996S723-L992 VanDerWaalsContact O-CB 3.31Å; S723-L992 WeakPolarHBondContact O-CB 3.19Å; N990-L992 PolarHBondContact O-N 3.27Å; L992-V996 PolarHBondContact O-N 2.74Å
993R81.4Confident85.7Confident25 Ų2530.7 Ų30.79%0.09415%0.148CC..Hα-helixtrans-72.7-41.8174.3-170-176.3-68.5155.9-2.5111.4S723 A725 Y726 E989 N990 R995 V996 F997S723-R993 PolarHBondContact O-N 2.93Å; A725-R993 PolarHBondContact O-NH2 2.96Å; Y726-R993 VanDerWaalsContact CE1-NH1 3.28Å; Y726-R993 VanDerWaalsContact CZ-CZ 3.48Å; Y726-R993 PolarHBondContact OH-NH1 3.26Å; E989-R993 WeakPolarHBondContact OE1-CD 3.49Å; E989-R993 IonicContact OE1-CZ 2.84Å; E989-R993 IonicContact OE1-NE 3.38Å; E989-R993 IonicContact OE1-NH1 3Å; E989-R993 PolarHBondContact OE1-NH1 3.41Å; E989-R993 WeakPolarHBondContact OE2-CD 3.32Å; N990-R993 WeakPolarHBondContact OD1-CB 3.17Å; N990-R993 PolarHBondContact OD1-N 3.48Å; N990-R993 VanDerWaalsContact OD1-N 3.16Å; R993-R995 VanDerWaalsContact C-N 3.25Å; R993-R995 PolarHBondContact O-N 3.42Å; R993-V996 PolarHBondContact O-N 3.15Å; R993-F997 PolarHBondContact O-N 2.97Å
994S86.2Confident85Confident0 Ų034.3 Ų34.30%017%0.165CC..Hα-helixtrans-57.6-39.6175-58.40000112S987 E989 N990 E991 A998S987-S994 WeakPolarHBondContact CB-OG 3.4Å; S987-S994 PolarHBondContact OG-OG 3.14Å; E989-S994 PolarHBondContact O-OG 3.38Å; E989-S994 VanDerWaalsContact O-OG 3.12Å; N990-S994 WeakPolarHBondContact O-CB 3.27Å; N990-S994 PolarHBondContact O-N 3.26Å; N990-S994 PolarHBondContact O-OG 3.28Å; E991-S994 PolarHBondContact O-N 2.95Å; S994-A998 WeakPolarHBondContact O-CB 3.19Å; S994-A998 PolarHBondContact O-N 2.81Å
995R85.7Confident84Confident68 Ų6835.6 Ų35.626%0.25717%0.173SC..Hα-helixtrans-62.9-47.4176.5-168.5-178.877.1-171.94.9112.4E991 R993 F997 A998 E999 C1005E991-R995 WeakPolarHBondContact O-CB 3.15Å; E991-R995 PolarHBondContact O-N 3.12Å; R993-R995 VanDerWaalsContact C-N 3.25Å; R993-R995 PolarHBondContact O-N 3.42Å; R995-F997 PolarHBondContact O-N 3.22Å; R995-A998 PolarHBondContact O-N 3.47Å; R995-E999 PolarHBondContact O-N 3.04Å; R995-C1005 WeakPolarHBondContact CD-O 3.37Å; R995-C1005 HydrophobicContact CG-CB 3.75Å; R995-C1005 PolarHBondContact O-SG 3.42Å
996V85.5Confident83Confident28 Ų2837.2 Ų37.217%0.1719%0.19CC..Hα-helixtrans-66.3-36.6179.4175.20000111.7Q962 L992 R993 R1000Q962-V996 VanDerWaalsContact OE1-CG1 3.24Å; L992-V996 PolarHBondContact O-N 2.74Å; R993-V996 PolarHBondContact O-N 3.15Å; V996-R1000 WeakPolarHBondContact O-CG 3.22Å; V996-R1000 PolarHBondContact O-N 3.48Å
997F88.1Confident81.7Confident8 Ų843.4 Ų43.44%0.03521%0.213CC..Hα-helixtrans-70.1-39.2173-177.5-105.4000112.7Q402 I406 A965 R993 R995 E999 R1000 L1001Q402-F997 HydrophobicContact CG-CD1 3.94Å; Q402-F997 HydrophobicContact CG-CE1 3.59Å; Q402-F997 HydrophobicContact CG-CE2 4.5Å; Q402-F997 HydrophobicContact CG-CZ 3.93Å; I406-F997 HydrophobicContact CD1-CE1 3.99Å; I406-F997 HydrophobicContact CG1-CE1 4.1Å; I406-F997 HydrophobicContact CG1-CZ 4.26Å; A965-F997 HydrophobicContact CB-CE2 4.15Å; A965-F997 HydrophobicContact CB-CZ 4.43Å; R993-F997 PolarHBondContact O-N 2.97Å; R995-F997 PolarHBondContact O-N 3.22Å; F997-E999 VanDerWaalsContact C-N 3.3Å; F997-E999 PolarHBondContact O-N 3.13Å; F997-R1000 WeakPolarHBondContact O-CB 3.44Å; F997-R1000 PolarHBondContact O-N 2.9Å; F997-R1000 VanDerWaalsContact O-N 3.16Å; F997-L1001 HydrophobicContact CD1-CD1 4.07Å; F997-L1001 HydrophobicContact CD1-CG 4.32Å; F997-L1001 HydrophobicContact CE1-CD1 3.63Å; F997-L1001 HydrophobicContact CE1-CD2 4.09Å; F997-L1001 HydrophobicContact CE1-CG 3.82Å; F997-L1001 HydrophobicContact CZ-CD1 4.35Å; F997-L1001 HydrophobicContact CZ-CD2 3.97Å; F997-L1001 HydrophobicContact CZ-CG 4.08Å; F997-L1001 PolarHBondContact O-N 2.89Å
998A88.9Confident81Confident0 Ų044.3 Ų44.30%022%0.218CC..Hα-helixtrans-63.9-33.5175.900000112.8S994 R995 R1000 L1001 G1002 L1003 C1005 L1214S994-A998 WeakPolarHBondContact O-CB 3.19Å; S994-A998 PolarHBondContact O-N 2.81Å; R995-A998 PolarHBondContact O-N 3.47Å; A998-R1000 VanDerWaalsContact C-N 3.33Å; A998-R1000 PolarHBondContact O-N 2.84Å; A998-L1001 WeakPolarHBondContact O-CB 3.48Å; A998-L1001 PolarHBondContact O-N 3.49Å; A998-G1002 PolarHBondContact O-N 3.36Å; A998-L1003 HydrophobicContact CB-CB 4.25Å; A998-L1003 HydrophobicContact CB-CD1 4.22Å; A998-L1003 WeakPolarHBondContact O-CB 3.36Å; A998-L1003 PolarHBondContact O-N 3.48Å; A998-C1005 VanDerWaalsContact C-SG 3.52Å; A998-C1005 VanDerWaalsContact CB-SG 3.58Å; A998-L1214 HydrophobicContact CB-CD1 4.11Å; A998-L1214 HydrophobicContact CB-CD2 3.78Å; A998-L1214 HydrophobicContact CB-CG 4.42Å
999E88.2Confident80.8Confident129 Ų12941 Ų4160%0.60321%0.208SC*.Hα-helixtrans-62.9-41.1173.3-170.6177178.400110.9R995 F997 L1001 G1002 C1005R995-E999 PolarHBondContact O-N 3.04Å; F997-E999 VanDerWaalsContact C-N 3.3Å; F997-E999 PolarHBondContact O-N 3.13Å; E999-L1001 VanDerWaalsContact C-N 3.33Å; E999-L1001 PolarHBondContact O-N 3.11Å; E999-G1002 WeakPolarHBondContact O-CA 3.46Å; E999-G1002 PolarHBondContact O-N 2.94Å; E999-C1005 HydrophobicContact CB-CB 4.31Å; E999-C1005 PolarHBondContact N-SG 2.92Å
1000R87.6Confident81.1Confident69 Ų6941 Ų4126%0.2621%0.208SC..Hα-helixtrans-66.1-30.3174-65.7174179.6-160.8-7.2113.5E414 Y963 A965 V996 F997 A998 G1002E414-R1000 VanDerWaalsContact CD-NH2 3.26Å; E414-R1000 IonicContact OE1-NH2 3.42Å; E414-R1000 IonicContact OE2-CZ 2.65Å; E414-R1000 IonicContact OE2-NH1 2.66Å; E414-R1000 IonicContact OE2-NH2 3.48Å; E414-R1000 PolarHBondContact OE2-NH2 3.03Å; Y963-R1000 PolarHBondContact O-NH1 2.83Å; Y963-R1000 VanDerWaalsContact O-NH1 3.11Å; A965-R1000 HydrophobicContact CB-CB 4.12Å; V996-R1000 WeakPolarHBondContact O-CG 3.22Å; V996-R1000 PolarHBondContact O-N 3.48Å; F997-R1000 WeakPolarHBondContact O-CB 3.44Å; F997-R1000 PolarHBondContact O-N 2.9Å; F997-R1000 VanDerWaalsContact O-N 3.16Å; A998-R1000 VanDerWaalsContact C-N 3.33Å; A998-R1000 PolarHBondContact O-N 2.84Å; R1000-G1002 PolarHBondContact O-N 2.95Å
1001L87.9Confident81.6Confident0 Ų040 Ų400%020%0.202CC..Hα-helixtrans-69.2-18.6169.7-69174.6000112.8I406 A965 V969 I973 F997 A998 E999 L1003I406-L1001 HydrophobicContact CB-CD2 4.4Å; I406-L1001 HydrophobicContact CD1-CD1 4.06Å; A965-L1001 HydrophobicContact CB-CD2 3.98Å; V969-L1001 HydrophobicContact CG1-CD2 4.38Å; I973-L1001 HydrophobicContact CD1-CB 4.07Å; I973-L1001 HydrophobicContact CD1-CD2 4.09Å; F997-L1001 HydrophobicContact CD1-CD1 4.07Å; F997-L1001 HydrophobicContact CD1-CG 4.32Å; F997-L1001 HydrophobicContact CE1-CD1 3.63Å; F997-L1001 HydrophobicContact CE1-CD2 4.09Å; F997-L1001 HydrophobicContact CE1-CG 3.82Å; F997-L1001 HydrophobicContact CZ-CD1 4.35Å; F997-L1001 HydrophobicContact CZ-CD2 3.97Å; F997-L1001 HydrophobicContact CZ-CG 4.08Å; F997-L1001 PolarHBondContact O-N 2.89Å; A998-L1001 WeakPolarHBondContact O-CB 3.48Å; A998-L1001 PolarHBondContact O-N 3.49Å; E999-L1001 VanDerWaalsContact C-N 3.33Å; E999-L1001 PolarHBondContact O-N 3.11Å; L1001-L1003 HydrophobicContact CB-CD1 4.26Å; L1001-L1003 HydrophobicContact CB-CG 3.98Å; L1001-L1003 HydrophobicContact CD1-CD1 3.96Å
1002G85.7Confident82Confident38 Ų3837.5 Ų37.539%0.39219%0.193SC..THydrogen-bonded Turntrans82.628.3-17200000113.8A998 E999 R1000A998-G1002 PolarHBondContact O-N 3.36Å; E999-G1002 WeakPolarHBondContact O-CA 3.46Å; E999-G1002 PolarHBondContact O-N 2.94Å; R1000-G1002 PolarHBondContact O-N 2.95Å
1003L86.3Confident82.4Confident11 Ų1134.9 Ų34.96%0.05818%0.18CC..  trans-90.7163.1173.2-55.4178.7000111.1I973 F983 H985 A998 L1001 C1005I973-L1003 HydrophobicContact CG2-CD2 3.82Å; F983-L1003 HydrophobicContact CB-CD2 4.37Å; F983-L1003 HydrophobicContact CD1-CD1 4.08Å; F983-L1003 HydrophobicContact CD1-CD2 3.98Å; F983-L1003 HydrophobicContact CE1-CD1 4.42Å; H985-L1003 HydrophobicContact CB-CD1 4.24Å; A998-L1003 HydrophobicContact CB-CB 4.25Å; A998-L1003 HydrophobicContact CB-CD1 4.22Å; A998-L1003 WeakPolarHBondContact O-CB 3.36Å; A998-L1003 PolarHBondContact O-N 3.48Å; L1001-L1003 HydrophobicContact CB-CD1 4.26Å; L1001-L1003 HydrophobicContact CB-CG 3.98Å; L1001-L1003 HydrophobicContact CD1-CD1 3.96Å; L1003-C1005 PolarHBondContact O-N 3.5Å; L1003-C1005 PolarHBondContact O-SG 3Å
1004E78.2Confident82.3Confident76 Ų7636.8 Ų36.836%0.35519%0.189SC..  trans-81.5121.6-177.5-50.6-150.1144.300111C1009 K1694E1004-C1009 VanDerWaalsContact O-CB 3.25Å; E1004-C1009 WeakPolarHBondContact O-CB 3.4Å; E1004-K1694 WeakPolarHBondContact OE1-CE 3.11Å; E1004-K1694 IonicContact OE1-NZ 2.73Å; E1004-K1694 PolarHBondContact OE1-NZ 3.21Å; E1004-K1694 WeakPolarHBondContact OE2-CD 3.24Å; E1004-K1694 IonicContact OE2-NZ 3.53Å
1005C69.7Low81.6Confident28 Ų2839.7 Ų39.719%0.18921%0.206CC..  trans-124.429.5-165.5-65.30000113.3R995 A998 E999 L1003R995-C1005 WeakPolarHBondContact CD-O 3.37Å; R995-C1005 HydrophobicContact CG-CB 3.75Å; R995-C1005 PolarHBondContact O-SG 3.42Å; A998-C1005 VanDerWaalsContact C-SG 3.52Å; A998-C1005 VanDerWaalsContact CB-SG 3.58Å; E999-C1005 HydrophobicContact CB-CB 4.31Å; E999-C1005 PolarHBondContact N-SG 2.92Å; L1003-C1005 PolarHBondContact O-N 3.5Å; L1003-C1005 PolarHBondContact O-SG 3Å
1006G72.2Confident80.6Confident34 Ų3440.9 Ų40.935%0.35122%0.223SC..SBendtrans-69.4173.1175.500000113.2N1008 C1009G1006-N1008 PolarHBondContact O-N 2.65Å; G1006-C1009 VanDerWaalsContact CA-SG 3.53Å; G1006-C1009 PolarHBondContact N-SG 2.82Å; G1006-C1009 VanDerWaalsContact N-SG 3.35Å; G1006-C1009 PolarHBondContact O-N 2.9Å
1007W64.8Low79.1Confident132 Ų13244 Ų4450%0.524%0.239SC..THydrogen-bonded Turntrans-64-9.2-174.669.9-90.8000115.2K1188 S1189W1007-K1188 HydrophobicContact CE3-CD 4.23Å; W1007-K1188 HydrophobicContact CH2-CB 3.69Å; W1007-K1188 HydrophobicContact CH2-CD 3.8Å; W1007-K1188 HydrophobicContact CH2-CG 3.54Å; W1007-K1188 HydrophobicContact CZ2-CD 4.16Å; W1007-K1188 HydrophobicContact CZ2-CG 4.04Å; W1007-K1188 HydrophobicContact CZ3-CB 3.87Å; W1007-K1188 HydrophobicContact CZ3-CD 3.82Å; W1007-K1188 HydrophobicContact CZ3-CG 3.97Å; W1007-S1189 WeakPolarHBondContact CZ3-O 3.49Å
1008N72.8Confident76.6Confident21 Ų2148.9 Ų48.911%0.11227%0.274CS..THydrogen-bonded Turntrans-139.542.4179.8-156.435.4000111G1006 S1189 L1191 L1695G1006-N1008 PolarHBondContact O-N 2.65Å; N1008-S1189 VanDerWaalsContact CG-O 3.31Å; N1008-S1189 PolarHBondContact ND2-O 2.84Å; N1008-S1189 PolarHBondContact OD1-O 3.4Å; N1008-L1191 WeakPolarHBondContact O-CD1 3.45Å; N1008-L1191 WeakPolarHBondContact OD1-CG 3.45Å; N1008-L1191 PolarHBondContact OD1-N 2.87Å; N1008-L1695 WeakPolarHBondContact O-CD2 3.25Å
1009C76.6Confident73.8Confident17 Ų1754 Ų5412%0.11531%0.305CS..SBendtrans-116.53.6-173.9-61.60000114.2E1004 G1006E1004-C1009 VanDerWaalsContact O-CB 3.25Å; E1004-C1009 WeakPolarHBondContact O-CB 3.4Å; G1006-C1009 VanDerWaalsContact CA-SG 3.53Å; G1006-C1009 PolarHBondContact N-SG 2.82Å; G1006-C1009 VanDerWaalsContact N-SG 3.35Å; G1006-C1009 PolarHBondContact O-N 2.9Å
1010H83.1Confident70.9Confident18 Ų1851.9 Ų51.98%0.08330%0.304CS..EExtended strand (participates in β ladder)trans-143.2159.3-173.958-87.6000111.6E991 L1191 L1214E991-H1010 VanDerWaalsContact CG-NE2 3.34Å; E991-H1010 WeakPolarHBondContact CG-NE2 3.42Å; E991-H1010 IonicContact OE1-CD2 2.74Å; E991-H1010 IonicContact OE1-CE1 3.87Å; E991-H1010 IonicContact OE1-NE2 3.69Å; E991-H1010 PolarHBondContact OE1-NE2 2.81Å; H1010-L1191 WeakPolarHBondContact O-CD1 3.39Å; H1010-L1214 WeakPolarHBondContact CA-O 3.32Å; H1010-L1214 HydrophobicContact CB-CB 3.94Å; H1010-L1214 HydrophobicContact CB-CD2 3.94Å; H1010-L1214 HydrophobicContact CB-CG 4.04Å; H1010-L1214 WeakPolarHBondContact CB-O 3.5Å
1011I87.3Confident67.9Low2 Ų255.5 Ų55.51%0.0133%0.329CS..EExtended strand (participates in β ladder)trans-127.6127178.2-74.3166.9000109.6L1013 L1191 P1192 I1198 P1209 V1212 L1214 F1215 T1216I1011-L1013 HydrophobicContact CG2-CD2 4.12Å; I1011-L1191 HydrophobicContact CD1-CD2 4.36Å; I1011-L1191 HydrophobicContact CG1-CB 4Å; I1011-L1191 HydrophobicContact CG1-CD1 4.17Å; I1011-L1191 HydrophobicContact CG1-CG 4.46Å; I1011-P1192 WeakPolarHBondContact CG2-O 3.41Å; I1011-I1198 HydrophobicContact CG2-CD1 4.17Å; I1011-P1209 HydrophobicContact CD1-CB 3.76Å; I1011-P1209 HydrophobicContact CD1-CG 4.44Å; I1011-V1212 HydrophobicContact CD1-CB 4.3Å; I1011-V1212 HydrophobicContact CD1-CG1 4.42Å; I1011-V1212 HydrophobicContact CD1-CG2 3.91Å; I1011-V1212 HydrophobicContact CG1-CG1 4.41Å; I1011-V1212 HydrophobicContact CG1-CG2 4.24Å; I1011-L1214 PolarHBondContact N-O 3.03Å; I1011-F1215 HydrophobicContact CB-CD1 3.73Å; I1011-F1215 HydrophobicContact CB-CE1 3.74Å; I1011-F1215 HydrophobicContact CD1-CE1 3.82Å; I1011-F1215 HydrophobicContact CD1-CZ 4.39Å; I1011-F1215 HydrophobicContact CG1-CE1 4.33Å; I1011-F1215 HydrophobicContact CG2-CD1 3.87Å; I1011-F1215 HydrophobicContact CG2-CE1 3.97Å; I1011-F1215 CarbonylContact O-C 3.45Å; I1011-F1215 VanDerWaalsContact O-CA 3.26Å; I1011-F1215 WeakPolarHBondContact O-CA 3.29Å; I1011-T1216 PolarHBondContact O-N 3.06Å
1012S87.3Confident64.9Low24 Ų2466.8 Ų66.817%0.16837%0.372CS..EExtended strand (participates in β ladder)trans-79.6124165.3-174.20000109.5K1014 G1194 T1216 D1217S1012-K1014 VanDerWaalsContact C-N 3.29Å; S1012-G1194 PolarHBondContact O-N 2.79Å; S1012-T1216 WeakPolarHBondContact CA-OG1 3.4Å; S1012-D1217 WeakPolarHBondContact CB-OD2 3.42Å; S1012-D1217 VanDerWaalsContact OG-CG 3.3Å; S1012-D1217 PolarHBondContact OG-OD2 3.44Å
1013L86.2Confident62Low5 Ų573.5 Ų73.53%0.02639%0.39CS..  trans-81.8-8.7177.7-70.7-176.1000113.1F986 I1011 T1015 I1195 I1198 F1215 T1216 C1218 A1222 V1223F986-L1013 HydrophobicContact CD1-CD1 4.16Å; F986-L1013 HydrophobicContact CE1-CD1 4.22Å; I1011-L1013 HydrophobicContact CG2-CD2 4.12Å; L1013-T1015 PolarHBondContact O-N 3.45Å; L1013-I1195 HydrophobicContact CD2-CD1 4.35Å; L1013-I1195 PolarHBondContact O-N 2.83Å; L1013-I1198 HydrophobicContact CD2-CD1 3.77Å; L1013-F1215 HydrophobicContact CD1-CB 4.16Å; L1013-F1215 HydrophobicContact CD1-CD1 4.31Å; L1013-F1215 HydrophobicContact CD2-CD1 3.83Å; L1013-F1215 HydrophobicContact CD2-CE1 4.43Å; L1013-F1215 HydrophobicContact CG-CB 4.24Å; L1013-F1215 HydrophobicContact CG-CD1 4Å; L1013-T1216 PolarHBondContact N-O 2.99Å; L1013-C1218 HydrophobicContact CD1-CB 4.46Å; L1013-A1222 HydrophobicContact CB-CB 4Å; L1013-A1222 HydrophobicContact CD1-CB 4.09Å; L1013-V1223 HydrophobicContact CD1-CG2 4.48Å
1014K79.8Confident59.2Low65 Ų6577.7 Ų77.728%0.28342%0.42SS..SBendtrans-67.2121.9174.4-172.2163.3-174162.40109.4D583 S585 S1012 G1194 D1217D583-K1014 IonicContact OD2-NZ 3.47Å; S585-K1014 PolarHBondContact O-NZ 3.42Å; S585-K1014 WeakPolarHBondContact OG-CE 3.35Å; S585-K1014 PolarHBondContact OG-NZ 2.67Å; S1012-K1014 VanDerWaalsContact C-N 3.29Å; K1014-G1194 WeakPolarHBondContact O-CA 3.4Å; K1014-G1194 PolarHBondContact O-N 2.76Å; K1014-D1217 HydrophobicContact CB-CB 3.8Å
1015T71.9Confident56.7Low60 Ų6080.8 Ų80.837%0.36844%0.444SS..PPolyproline II helixtrans-63.3133.5173.939.90000109.6L1013 N1017 D1196L1013-T1015 PolarHBondContact O-N 3.45Å; T1015-N1017 PolarHBondContact O-N 2.87Å; T1015-N1017 VanDerWaalsContact O-N 3.16Å; T1015-D1196 WeakPolarHBondContact CG2-OD2 3.49Å
1016P64.7Low54.6Low93 Ų9386.5 Ų86.560%0.60447%0.473SS*.PPolyproline II helixtrans-64.3120.117426.2-32.2000108.2S1018P1016-S1018 PolarHBondContact O-N 2.86Å
1017N54.9Low52.6Low94 Ų9492.6 Ų92.650%0.50350%0.497SS..  trans-48.3116177-76.9-17.9000109.2N657 T1015 V1019N657-N1017 PolarHBondContact OD1-ND2 3.46Å; T1015-N1017 PolarHBondContact O-N 2.87Å; T1015-N1017 VanDerWaalsContact O-N 3.16Å; N1017-V1019 PolarHBondContact O-N 3.21Å
1018S34.1Very low50.7Low110 Ų11091.9 Ų91.977%0.76951%0.509SS*.  trans-59.8127.8179.456.40000108.6P1016 S1020P1016-S1018 PolarHBondContact O-N 2.86Å; S1018-S1020 PolarHBondContact O-N 2.94Å
1019V31.5Very low48.2Very low107 Ų107100.4 Ų100.465%0.64855%0.545SS*.  trans-70.884.6177.9-179.60000107.5T655 N1017 N1021T655-V1019 HydrophobicContact CG2-CG2 3.89Å; N1017-V1019 PolarHBondContact O-N 3.21Å; V1019-N1021 PolarHBondContact O-N 2.71Å; V1019-N1021 VanDerWaalsContact O-N 3.12Å
1020S25.9Very low45.7Very low85 Ų85108.3 Ų108.359%0.59458%0.58SS**  trans-55.8117.9166.6550000107.4S1018 R1022S1018-S1020 PolarHBondContact O-N 2.94Å; S1020-R1022 PolarHBondContact O-N 3.09Å
1021N24.8Very low42.8Very low146 Ų146117.4 Ų117.478%0.78162%0.62SS**  trans-65.487.6178.1-89.3-49.8000109V1019 K1023V1019-N1021 PolarHBondContact O-N 2.71Å; V1019-N1021 VanDerWaalsContact O-N 3.12Å; N1021-K1023 PolarHBondContact O-N 3.43Å
1022R25.2Very low39.7Very low237 Ų237125.9 Ų125.989%0.89466%0.659SS**  trans-67.971.9166-72.7-171.3176.2-171.4-0.7109.2S1020S1020-R1022 PolarHBondContact O-N 3.09Å
1023K25.8Very low36.6Very low178 Ų178134.2 Ų134.277%0.77469%0.692SS**  trans-60.3134.7158.1-71.8-168.8172.6-1740108N1021N1021-K1023 PolarHBondContact O-N 3.43Å
1024S26.1Very low33.6Very low100 Ų100139 Ų13970%0.69973%0.726SS**  trans30.1115.5155.6520000117.9D1026S1024-D1026 PolarHBondContact O-N 3.29Å
1025V26Very low30.9Very low141 Ų141143.3 Ų143.386%0.85575%0.752SS**  trans-53.4127159.7175.30000109.7
1026D25.2Very low28.5Very low148 Ų148150.2 Ų150.279%0.79178%0.777SS**  trans-140.1143.6159.7-102.9-46.4000109S1024S1024-D1026 PolarHBondContact O-N 3.29Å
1027L29.9Very low26.5Very low162 Ų162155 Ų15585%0.84879%0.789SS**  trans-98.5122-168.5-14885.6000111.2
1028P24.9Very low25Very low116 Ų116156 Ų15675%0.75380%0.803SS**  trans-94.6141.3170.634-30.3000112.1
1029K22Very low24.4Very low200 Ų200161.1 Ų161.187%0.8781%0.812SS**  trans-84174.2171.7-66.8179.6178.81790111.6
1030E23.4Very low24.1Very low183 Ų183159 Ų15986%0.85581%0.812SS**  trans-42.2145.7177.2-52.8164.1119.900114.7
1031F22.8Very low24Very low209 Ų209160.6 Ų160.692%0.91782%0.819SS**  trans-153.5125.5150.2-116.2-73.8000113.2
1032H21.7Very low24.1Very low181 Ų181161.7 Ų161.784%0.83882%0.824SS**  trans-72.7121.8161.6-82.3-85.5000110.2
1033K22.1Very low24.1Very low198 Ų198154.6 Ų154.686%0.86181%0.807SS**  179.3144.3116.7-99.2165.4-176.9174.20114.1
1034S21.7Very low24Very low105 Ų105155.1 Ų155.173%0.73481%0.81SS**  trans-20.6127.1163.954.50000117.9
1035N24.2Very low24.1Very low156 Ų156156 Ų15683%0.83481%0.811SS**  trans-143.8144.6139.7-110.9-32.1000110.7
1036K21.8Very low24Very low205 Ų205154.9 Ų154.989%0.89180%0.804SS**  trans-83.5121.1-178.9-66.4173.7179.8173.70109.6
1037F23.2Very low24Very low194 Ų194154.4 Ų154.485%0.85180%0.797SS**  trans-102.5114.8161.3-86.3-85000109.9
1038S23.1Very low23.6Very low116 Ų116156.4 Ų156.481%0.81179%0.793SS**  trans-80.4118.1172.748.60000109.8G1040S1038-G1040 PolarHBondContact O-N 2.9Å
1039F21.9Very low23.7Very low216 Ų216158.3 Ų158.395%0.94779%0.79SS**  trans-61.9130.8166.9-88.3-108000110
1040G24.7Very low23.7Very low64 Ų64157.4 Ų157.466%0.6679%0.789SS**  trans-127.2117.9176.400000110.4S1038 D1042S1038-G1040 PolarHBondContact O-N 2.9Å; G1040-D1042 PolarHBondContact O-N 2.81Å
1041T24Very low23.7Very low118 Ų118158.4 Ų158.472%0.72479%0.79SS**  trans-84.698.5171.449.40000109.4V1043T1041-V1043 VanDerWaalsContact C-N 3.28Å; T1041-V1043 PolarHBondContact O-N 3.29Å
1042D26Very low23.8Very low169 Ų169155.9 Ų155.990%0.90479%0.787SS**  trans-75.382.9178.4-79.5-16.1000111.8G1040G1040-D1042 PolarHBondContact O-N 2.81Å
1043V26.1Very low23.9Very low88 Ų88150.5 Ų150.553%0.53378%0.78SS.*  trans-62.4144.7160.4172.90000109.2T1041 V1045T1041-V1043 VanDerWaalsContact C-N 3.28Å; T1041-V1043 PolarHBondContact O-N 3.29Å; V1043-V1045 PolarHBondContact O-N 3.13Å
1044F24.1Very low23.9Very low188 Ų188146.1 Ų146.183%0.82577%0.774SS**  trans-49.8114173.5-76.1-93.3000112.5R231R231-F1044 PolarHBondContact NH2-O 3.01Å
1045V27.3Very low24.2Very low120 Ų120150.3 Ų150.373%0.72778%0.782SS**  trans-113.6113.8169.7175.30000109.3V1043 E1047V1043-V1045 PolarHBondContact O-N 3.13Å; V1045-E1047 HydrophobicContact CG1-CG 4.41Å; V1045-E1047 PolarHBondContact O-N 3.13Å
1046T23.5Very low24.2Very low116 Ų116150.7 Ų150.771%0.71278%0.778SS**  trans-79.791.7173.752.90000110.9R1048T1046-R1048 PolarHBondContact O-N 2.96Å; T1046-R1048 VanDerWaalsContact O-N 3.14Å
1047E25.6Very low24.2Very low138 Ų138147 Ų14765%0.64577%0.773SS**  trans-75.797.8166.1-80.3-129.913800111.3V1045 K1049V1045-E1047 HydrophobicContact CG1-CG 4.41Å; V1045-E1047 PolarHBondContact O-N 3.13Å; E1047-K1049 IonicContact OE1-NZ 3.32Å; E1047-K1049 PolarHBondContact OE1-NZ 2.66Å; E1047-K1049 IonicContact OE2-NZ 3.96Å; E1047-K1049 PolarHBondContact OE2-NZ 3.16Å
1048R21.2Very low24.3Very low204 Ų204146.9 Ų146.977%0.7777%0.772SS**  trans-84.3115.2146.4-71-175.8-176.21673.2107.9T1046T1046-R1048 PolarHBondContact O-N 2.96Å; T1046-R1048 VanDerWaalsContact O-N 3.14Å
1049K26.5Very low24.2Very low156 Ų156152.5 Ų152.568%0.67878%0.776SS**  trans-106.6137.3154.6-68.5-157.7175.491.10109.1E1047E1047-K1049 IonicContact OE1-NZ 3.32Å; E1047-K1049 PolarHBondContact OE1-NZ 2.66Å; E1047-K1049 IonicContact OE2-NZ 3.96Å; E1047-K1049 PolarHBondContact OE2-NZ 3.16Å
1050H23.5Very low24.3Very low182 Ų182154.5 Ų154.584%0.84378%0.777SS**  trans-74.3149.7178.4-79.9-60000111
1051F22.2Very low24.1Very low203 Ų203156.6 Ų156.689%0.8978%0.782SS**  trans-64.6131.5152.7-106.8-98.5000109
1052D25.8Very low24.2Very low157 Ų157156.6 Ų156.684%0.8479%0.787SS**  trans-120.5136.2145.4-88-45.5000106.9
1053G23.9Very low24.2Very low67 Ų67154.1 Ų154.169%0.69178%0.783SS**  trans-83178.416600000110.8
1054S22.4Very low24.2Very low106 Ų106156 Ų15674%0.74180%0.796SS**  cis-172.8145.9-3.750.30000108.1
1055H27.6Very low24.2Very low194 Ų194151.2 Ų151.290%0.89879%0.792SS**  trans-152.2166.3151.4-101.3-67000111
1056Q22.8Very low24Very low163 Ų163152.2 Ų152.276%0.76279%0.792SS**  trans-112161.7-156.6-58.5164.9-43.800113.2
1057T23.3Very low23.9Very low129 Ų129157 Ų15779%0.79180%0.797SS**  trans71.5154.7166.983.30000115.1
1058K24.7Very low23.8Very low190 Ų190156.4 Ų156.483%0.82680%0.804SS**  cis-124.31487-68.1176.1179.5176.30112.5
1059R20.4Very low24Very low234 Ų234152 Ų15288%0.88380%0.804SS**  trans-77.3133.8157.1-178.8-170.2-160.3170.65.9107.9
1060W24.4Very low23.8Very low258 Ų258155.3 Ų155.398%0.97781%0.814SS**  trans-151.2153.7154.7-104.914.6000109.2
1061S21.5Very low24.1Very low109 Ų109152.2 Ų152.276%0.76281%0.81SS**  trans-137.5130.5-166.952.50000110.9
1062S25.3Very low24.2Very low118 Ų118146.9 Ų146.983%0.82580%0.798SS**  trans-163.6125.2158.242.40000112.1
1063S25Very low24.2Very low117 Ų117147.6 Ų147.682%0.81879%0.793SS**  trans-94.3153.9136.4-52.20000106.7
1064P27.8Very low24.3Very low126 Ų126153.5 Ų153.582%0.81880%0.8SS**  -142.2175.593.737.9-23.5000113.5
1065A22.7Very low24.5Very low88 Ų88151.8 Ų151.873%0.72780%0.8SS**  trans-116.1162.5173.500000110.8
1066L24.1Very low24.5Very low141 Ų141147.7 Ų147.774%0.73879%0.793SS**  trans-174139.2138.3-123.170.1000112.4
1067R21.9Very low24.8Very low216 Ų216145.7 Ų145.782%0.81579%0.792SS**  trans39.4149.7134-68.2177.7-172.9175.71.3120.7
1068T21.9Very low25.1Very low127 Ų127144.9 Ų144.978%0.77979%0.791SS**  cis-161.31674.77.20000107.7
1069S25.9Very low25Very low112 Ų112143.1 Ų143.178%0.78379%0.791SS**  -173.5163.85847.20000113.6
1070Y22.4Very low25.5Very low224 Ų224137.5 Ų137.588%0.87879%0.785SS**  trans-94.2163.9170.2-75.1-90.8000112.4
1071P29.4Very low25.6Very low117 Ų117133 Ų13376%0.7677%0.774SS**  -149.9-1759436-16.7000114.9
1072S24.3Very low25.7Very low91 Ų91137.6 Ų137.664%0.63678%0.781SS**  -177.8162-51.466.40000111.6
1073K26.2Very low25.7Very low173 Ų173140.3 Ų140.375%0.75278%0.778SS**  trans74.7151.9168.2-53.9173.4-179.6-179.30117
1074F26.7Very low25.6Very low191 Ų191143.2 Ų143.284%0.83878%0.779SS**  cis-121.8158.4-13.1-80.6-89000107.2
1075G26.5Very low25.5Very low70 Ų70141.9 Ų141.972%0.72277%0.772SS**  cis103121.718.100000110.5
1076S27.4Very low25.7Very low108 Ų108142.3 Ų142.376%0.75577%0.766SS**  cis-146.1-1513.147.40000109.7
1077T28.2Very low25.6Very low120 Ų120141.4 Ų141.474%0.73677%0.769SS**  cis-166.3174.815.5-21.10000111.2
1078S30.2Very low25.7Very low112 Ų112140.6 Ų140.678%0.78377%0.771SS**  trans75.6136.1170.865.60000118.7
1079D23.5Very low26Very low154 Ų154139.8 Ų139.882%0.82477%0.769SS**  trans-118.7-175-158.6-45.9-92.3000111.3
1080P29.7Very low25.9Very low115 Ų115143.2 Ų143.275%0.74777%0.772SS**  cis-133.3-167.1-3.835.3-13.5000115.2
1081Q27.2Very low26Very low163 Ų163144.1 Ų144.176%0.76278%0.776SS**  trans91.581.8170.4-54.3-162.814.700118
1082F22.9Very low25.6Very low207 Ų207144 Ų14491%0.90878%0.776SS**  trans-68.4131.1137.6-97.1-102.4000109.2
1083F26.1Very low25.6Very low175 Ų175149.5 Ų149.577%0.76879%0.792SS**  trans-123.5109.3158.2-125.1-76.2000110.1S1085F1083-S1085 PolarHBondContact O-N 2.83Å
1084Q22Very low25.4Very low178 Ų178145.8 Ų145.883%0.83279%0.794SS**  trans-79100.1160.3-71.6-179.2-75.800108.1T1086Q1084-T1086 PolarHBondContact O-N 3.38Å
1085S26.5Very low25.3Very low97 Ų97144 Ų14468%0.67879%0.793SS**  trans-92.285.116560.90000110.3F1083F1083-S1085 PolarHBondContact O-N 2.83Å
1086T25.9Very low25.2Very low98 Ų98151.4 Ų151.460%0.60180%0.801SS**  trans46.3117.7134.256.60000119.5Q1084Q1084-T1086 PolarHBondContact O-N 3.38Å
1087P23.8Very low25Very low121 Ų121150.8 Ų150.879%0.78680%0.796SS**  trans-66.9147.2154.932.5-33.6000109.7P1089P1087-P1089 WeakPolarHBondContact O-CD 3.33Å
1088F24.1Very low24.9Very low199 Ų199154.9 Ų154.987%0.87380%0.804SS**  trans-95.7112.3164.7-93.1-83.7000109.1
1089P26.4Very low24.6Very low111 Ų111154 Ų15472%0.72180%0.798SS**  trans-84174.1-178.735.5-36.5000112.6P1087P1087-P1089 WeakPolarHBondContact O-CD 3.33Å
1090E24.4Very low24.8Very low184 Ų184154.9 Ų154.986%0.8680%0.801SS**  trans-63.2141.9178.8-65.1159.6101.700113.1C1092E1090-C1092 PolarHBondContact O-N 3.16Å
1091Y25.4Very low24.5Very low242 Ų242156.6 Ų156.695%0.94980%0.803SS**SBendtrans-93.476.4168.3-111.1-74.2000110.9
1092C20.7Very low24.7Very low114 Ų114153.9 Ų153.977%0.7780%0.799SS**  trans-159.390.6165.6-120.10000111.2E1090E1090-C1092 PolarHBondContact O-N 3.16Å
1093E23.9Very low24.7Very low207 Ų207149 Ų14997%0.96779%0.79SS**  trans-171.8169142.8-109.3169.3-161.300111.9
1094A22.8Very low24.7Very low95 Ų95147.6 Ų147.679%0.78579%0.789SS**  trans-110.8149.5-167.900000114
1095N24.4Very low24.8Very low155 Ų155145.1 Ų145.183%0.82978%0.782SS**  trans-70.1150.5-176.4-48.3-64.2000114.3
1096Y23.3Very low24.8Very low225 Ų225148.1 Ų148.188%0.88278%0.783SS**  trans-164153.3148.5-94.5-75.4000109.9
1097S23Very low24.7Very low95 Ų95152.2 Ų152.266%0.66479%0.787SS**  -166140.2-59.562.70000109.3
1098K27.4Very low24.8Very low206 Ų206152.6 Ų152.690%0.89678%0.779SS**  trans-176.9146.8157.7-105.3172-176.5-179.30111.9
1099S23Very low24.9Very low93 Ų93148.8 Ų148.865%0.6577%0.766SS**  cis-174.4113-37.348.80000111.5
1100I27.3Very low24.7Very low173 Ų173150.5 Ų150.589%0.88777%0.769SS**  trans-145.493.4155.8-53.8-179.5000104.2
1101L24.5Very low24.8Very low150 Ų150146.8 Ų146.879%0.78576%0.764SS**  77.2135.852.3-161.383.9000112.2
1102P30.6Very low24.6Very low106 Ų106142.5 Ų142.569%0.68876%0.757SS**  cis-109.2176.4-7.414.510.9000112.2
1103C23.2Very low24.8Very low105 Ų105146.2 Ų146.271%0.70976%0.761SS**  cis-151.9138.846.7-81.20000114.3
1104L25.1Very low24.8Very low146 Ų146143.8 Ų143.876%0.76475%0.749SS**  trans45.7129.5137.1-48.8164.9000119
1105N25.2Very low24.7Very low125 Ų125144.4 Ų144.467%0.66875%0.748SS**  cis-168.9172.6-2.8-92.4-20.6000106
1106F26Very low24.6Very low161 Ų161142 Ų14271%0.70674%0.743SS**  cis-155.1154.5-2.6-123.5-149.9000106.5
1107R24.8Very low24.5Very low183 Ų183137.4 Ų137.469%0.69174%0.742SS**  51.2135.983.3-62.5-175.4160.9-138.69.6115.8
1108Q25.3Very low24.5Very low129 Ų129137.4 Ų137.460%0.60374%0.742SS**  cis-166.9160.41.6-119.9174.2-70.600113.8
1109I26.8Very low24.3Very low120 Ų120135.5 Ų135.562%0.61574%0.736SS**  trans77.1115.2145-72.6166.9000122.2
1110D22.3Very low24.3Very low146 Ų146136.2 Ų136.278%0.78173%0.733SS**  38.2155.7125.3-29.5-33.6000122.4
1111S25.4Very low24.1Very low107 Ų107135.3 Ų135.375%0.74873%0.725SS**  cis-157.5152.17.970.60000114.7
1112N21.5Very low24.2Very low152 Ų152134.2 Ų134.281%0.81372%0.718SS**  trans13.1123154.7-57.2-28.3000122.7
1113F26Very low24Very low192 Ų192135.4 Ų135.484%0.84272%0.719SS**  -163.5-165.4112.3-127.6-104.7000112.9
1114Q22.3Very low24.1Very low156 Ų156135.4 Ų135.473%0.72971%0.712SS**  trans-97.5159.5-152-64.9177.2-63.900118
1115S21.5Very low24.1Very low108 Ų108136.6 Ų136.676%0.75572%0.719SS**  trans91.8124.4142.474.20000122.2
1116S22.4Very low24Very low105 Ų105138.5 Ų138.573%0.73472%0.721SS**  trans50.5119.8145530000122.2
1117C20.9Very low24Very low127 Ų127137 Ų13786%0.85873%0.725SS**  trans27.8130.8137.4-58.90000119.4
1118S23.2Very low24.1Very low95 Ų95136.5 Ų136.566%0.66473%0.731SS**  cis-174.6168.719.549.40000111.8
1119H23.5Very low24.1Very low166 Ų166135.1 Ų135.177%0.76974%0.741SS**  trans66.6155.2166.2-73.3-65.9000116
1120D22.4Very low24Very low108 Ų108135.2 Ų135.258%0.57875%0.747SS**  cis-165.6166.1-35.9-139.9-45.8000107.8
1121H24.2Very low24.1Very low155 Ų155133.7 Ų133.772%0.71875%0.748SS**  trans66.6158.6157.8-68.33.6000116.5
1122I25Very low24Very low127 Ų127135.2 Ų135.265%0.65175%0.753SS**  cis-154.5174.3-7-123.7167.7000110.6
1123N26.5Very low24.1Very low131 Ų131132.4 Ų132.470%0.70175%0.745SS**  trans72.5152.4166.2-81.4-10.5000118.3
1124N25.3Very low24.1Very low105 Ų105134.6 Ų134.656%0.56175%0.75SS**  cis-168144.6-42-122.5-2.2000108.6
1125N25.2Very low24.3Very low170 Ų170135.3 Ų135.391%0.90976%0.757SS**  trans-145.8102.8144.8-104.8-24.2000108.4
1126F22.9Very low24.4Very low165 Ų165139.3 Ų139.372%0.72476%0.764SS**  trans-74.3148.3168.3-103.8-111.5000109.5
1127T27.8Very low24.5Very low129 Ų129143 Ų14379%0.79177%0.77SS**  -171.4157.8119.122.40000111.3
1128H25.1Very low24.7Very low174 Ų174145 Ų14581%0.80677%0.77SS**  trans-35.2158175.7-54-87.2000116.1
1129A26.7Very low24.7Very low99 Ų99151.8 Ų151.882%0.81878%0.781SS**  cis-156.8-175.239.200000115.9
1130V23.9Very low24.8Very low123 Ų123148.6 Ų148.675%0.74578%0.778SS**  trans-95144.2-175.4173.20000111.6
1131S24.4Very low25Very low114 Ų114151 Ų15180%0.79779%0.791SS**  trans-156.7128.7145.4-86.20000112.7
1132T24Very low25.2Very low138 Ų138151.4 Ų151.485%0.84779%0.793SS**  trans-105.388.9177.947.70000111
1133S22.9Very low25.4Very low94 Ų94152.6 Ų152.666%0.65780%0.799SS**  trans-162.895.9172.350.50000113.4
1134Y26Very low25.4Very low238 Ų238149.4 Ų149.493%0.93380%0.797SS**SBendtrans-169.158.5147-105.7-62.1000112.1
1135L27.5Very low25.7Very low170 Ų170150.1 Ų150.189%0.8981%0.807SS**SBendtrans-163.838.1163-118.9174000113.9
1136Q22.8Very low25.7Very low193 Ų193150.8 Ų150.890%0.90280%0.802SS**  trans-144.745.6176.6-156.4161.9-25.100115.7
1137Q23.8Very low25.7Very low182 Ų182152.1 Ų152.185%0.8581%0.811SS**  trans-121.7131.3135.7-73.1173.1-31.400103.5
1138I25.6Very low25.5Very low169 Ų169151.4 Ų151.487%0.86781%0.811SS**  cis-135.7125.142.5-69.5148.3000111.6
1139R23.2Very low25.5Very low237 Ų237153.7 Ų153.789%0.89482%0.819SS**  trans-169.8143.3153.5-96.7-173-168.2-173.61.4106.4
1140S25.4Very low25.3Very low99 Ų99152.2 Ų152.269%0.69281%0.813SS**  cis-161.8137.6-2.145.30000111.2
1141N27.2Very low25.3Very low160 Ų160151.5 Ų151.586%0.85681%0.814SS**  trans-159.1139.1148.4-91.5-14.1000104
1142E27.9Very low25.3Very low162 Ų162156.9 Ų156.976%0.75782%0.818SS**  cis-132.8158.815.5-64.4-178.3131.600113.4
1143I29.1Very low25.2Very low152 Ų152157.9 Ų157.978%0.77981%0.813SS**  trans38.7114.4139.4-55.9164.9000119.1
1144G25.9Very low25.4Very low64 Ų64161 Ų16166%0.6682%0.821SS**  trans-98.2174.4143.800000110.1
1145P32.4Very low25.2Very low120 Ų120154.5 Ų154.578%0.77981%0.811SS**  -155.7-163.569.437.5-14.2000116.3
1146K24.6Very low25.2Very low185 Ų185151.5 Ų151.580%0.80481%0.805SS**  trans84.699.6161.1-66.3179.7-178.7-178.80120.2
1147E22.6Very low25.1Very low192 Ų192147.5 Ų147.590%0.89780%0.798SS**  19.2123.1120.6-57.4177.9150.800120.3
1148S25.4Very low25.1Very low115 Ų115143.5 Ų143.580%0.80479%0.79SS**  trans-158.5139.8143.462.50000110.6
1149F23.3Very low25Very low221 Ų221142.8 Ų142.897%0.96979%0.788SS**  trans-66.6142.1166.9-87.3-115.6000110.2
1150G24Very low25Very low68 Ų68136.7 Ų136.770%0.70178%0.781SS**  trans-160.4136.9176.700000111.8
1151S22.6Very low24.9Very low108 Ų108138.3 Ų138.376%0.75579%0.787SS**  trans-85.5135.2-174.945.40000112.6
1152Y25.3Very low24.7Very low227 Ų227136.2 Ų136.289%0.8979%0.785SS**  trans-97.885.7163.3-78.2-78.9000110.1L1154Y1152-L1154 PolarHBondContact O-N 3.34Å
1153H21.8Very low24.7Very low159 Ų159132.9 Ų132.974%0.73678%0.78SS**  trans-67.1121.9151.8-96.9-111.1000108S1155H1153-S1155 PolarHBondContact O-N 3.01Å
1154L27.5Very low24.5Very low159 Ų159132.2 Ų132.283%0.83278%0.783SS**  trans-99.872.7168.9-148.181.6000109.9Y1152Y1152-L1154 PolarHBondContact O-N 3.34Å
1155S20.7Very low24.5Very low102 Ų102134.3 Ų134.371%0.71379%0.787SS**  trans-98.3104.3168.451.50000109.2H1153H1153-S1155 PolarHBondContact O-N 3.01Å
1156S27.5Very low24.2Very low108 Ų108136.6 Ų136.676%0.75579%0.792SS**  trans-137.186.6177.360.30000110.5
1157S21.7Very low24.2Very low108 Ų108133 Ų13376%0.75579%0.79SS**  trans-101.4158.3164.947.70000110.3
1158S23.5Very low24.5Very low99 Ų99130.5 Ų130.569%0.69279%0.788SS**  trans68.6118.7169.4660000120.2
1159N22.7Very low24.5Very low153 Ų153132.9 Ų132.982%0.81879%0.792SS**  61.2103.6127-53.3-0.1000121.5
1160S23.9Very low24.8Very low109 Ų109125.9 Ų125.976%0.76278%0.781SS**  -173.6137.2122.8240000108.3
1161T22.6Very low25Very low133 Ų133132 Ų13282%0.81679%0.792SS**  cis68.472.643.373.20000115.4
1162S24.6Very low25.1Very low116 Ų116132 Ų13281%0.81179%0.792SS**  trans-178.3104141.951.50000112.3
1163S27.6Very low25.4Very low92 Ų92127.4 Ų127.464%0.64378%0.782SS**  trans-84.4131.8155.527.30000108.6S1165S1163-S1165 PolarHBondContact O-N 3.47Å
1164V25.1Very low25.8Very low139 Ų139127.1 Ų127.184%0.84279%0.786SS**  trans-84.1112.6174.9176.70000108.8
1165S25.8Very low26.3Very low108 Ų108123.2 Ų123.276%0.75577%0.772SS**PPolyproline II helixtrans-91.9130167.247.80000110.4S1163S1163-S1165 PolarHBondContact O-N 3.47Å
1166L25.1Very low27Very low167 Ų167125 Ų12587%0.87477%0.769SS**PPolyproline II helixtrans-82.4117.1169.1-80.3162.2000108.5
1167S24.2Very low27.6Very low110 Ų110127.1 Ų127.177%0.76977%0.768SS**PPolyproline II helixtrans-84.6126169.638.60000109.7
1168V29.8Very low28.4Very low139 Ų139128.1 Ų128.184%0.84276%0.764SS**  trans-125.1116.2164.2177.50000106
1169D26.4Very low29.1Very low166 Ų166129.9 Ų129.989%0.88876%0.759SS**  trans-72.5129.7176-72.4-59000110.6
1170G29.4Very low29.9Very low73 Ų73128 Ų12875%0.75375%0.748SS**  trans-169126.8177.200000111.5
1171Q26.5Very low30.8Very low198 Ų198125.6 Ų125.693%0.92573%0.731SS**  trans-100.7104.3-176.9-67.1176.6-28.500111.7
1172S26.2Very low31.8Very low107 Ų107124.6 Ų124.675%0.74872%0.717SS**  trans-174.2141.3152.551.60000113.7
1173D30.5Very low32.7Very low130 Ų130123.4 Ų123.470%0.69570%0.702SS**  trans5496.5148.8-59.2-7.5000120.8S1175D1173-S1175 PolarHBondContact O-N 3.03Å
1174N30Very low33.3Very low154 Ų154124.2 Ų124.282%0.82470%0.698SS**THydrogen-bonded Turntrans-69.631.8177.6-54.3-83.6000115.5
1175S38.9Very low34.5Very low77 Ų77119.6 Ų119.654%0.53867%0.67SS.*THydrogen-bonded Turntrans-110.7-22.2-173.760.70000114.7D1173D1173-S1175 PolarHBondContact O-N 3.03Å
1176E35.2Very low35.3Very low138 Ų138122.5 Ų122.565%0.64567%0.665SS**SBendtrans-92.8-31.2-177.7-59.4-139.5118.900114L1178 K1179 L1180E1176-L1178 PolarHBondContact O-N 3.24Å; E1176-K1179 WeakPolarHBondContact O-CA 3.23Å; E1176-K1179 WeakPolarHBondContact O-CB 3.31Å; E1176-K1179 PolarHBondContact O-N 3.06Å; E1176-L1180 PolarHBondContact O-N 3.17Å
1177E39.4Very low36.1Very low154 Ų154121.1 Ų121.172%0.7266%0.658SS**Hα-helixtrans-61.6-31.3-176.8-161174.8-142.600112.7S1181E1177-S1181 PolarHBondContact O-N 3.47Å; E1177-S1181 VanDerWaalsContact O-N 3.14Å; E1177-S1181 PolarHBondContact O-OG 2.99Å
1178L38.1Very low37.3Very low129 Ų129120.2 Ų120.268%0.67564%0.64SS**Hα-helixtrans-67.5-35170.9-84.2164000113.2E1176 S1181 E1182E1176-L1178 PolarHBondContact O-N 3.24Å; L1178-S1181 WeakPolarHBondContact CA-OG 3.21Å; L1178-S1181 PolarHBondContact O-OG 3.06Å; L1178-S1181 VanDerWaalsContact O-OG 3.14Å; L1178-E1182 WeakPolarHBondContact O-CB 3.22Å; L1178-E1182 PolarHBondContact O-N 3.14Å; L1178-E1182 VanDerWaalsContact O-N 3.11Å
1179K39.7Very low38.3Very low135 Ų135117.7 Ų117.759%0.58763%0.629SS**Hα-helixtrans-73.4-39.9175.6-72.2178.6-179.8169.60111.6E1176 E1182 L1183E1176-K1179 WeakPolarHBondContact O-CA 3.23Å; E1176-K1179 WeakPolarHBondContact O-CB 3.31Å; E1176-K1179 PolarHBondContact O-N 3.06Å; K1179-E1182 PolarHBondContact O-N 3.31Å; K1179-L1183 WeakPolarHBondContact O-CB 3.21Å; K1179-L1183 VanDerWaalsContact O-CG 3.32Å; K1179-L1183 WeakPolarHBondContact O-CG 3.11Å; K1179-L1183 PolarHBondContact O-N 2.91Å
1180L38.9Very low40.1Very low114 Ų114116.5 Ų116.560%0.59761%0.612SS**Hα-helixtrans-64.3-44179.2-163.579.3000111.1E1176 L1183 L1184E1176-L1180 PolarHBondContact O-N 3.17Å; L1180-L1183 PolarHBondContact O-N 3.07Å; L1180-L1184 HydrophobicContact CG-CD1 4.34Å; L1180-L1184 WeakPolarHBondContact O-CB 3.19Å; L1180-L1184 VanDerWaalsContact O-CG 3.28Å; L1180-L1184 WeakPolarHBondContact O-CG 3.2Å; L1180-L1184 PolarHBondContact O-N 2.94Å
1181S43.6Very low42.4Very low59 Ų59113.9 Ų113.941%0.41358%0.581SS.*Hα-helixtrans-65.7-39.6175.549.60000112.7E1177 L1178 L1184 V1185E1177-S1181 PolarHBondContact O-N 3.47Å; E1177-S1181 VanDerWaalsContact O-N 3.14Å; E1177-S1181 PolarHBondContact O-OG 2.99Å; L1178-S1181 WeakPolarHBondContact CA-OG 3.21Å; L1178-S1181 PolarHBondContact O-OG 3.06Å; L1178-S1181 VanDerWaalsContact O-OG 3.14Å; S1181-L1184 PolarHBondContact O-N 3.25Å; S1181-V1185 WeakPolarHBondContact O-CG2 3.25Å; S1181-V1185 PolarHBondContact O-N 3.45Å
1182E43.1Very low45Very low111 Ų111105 Ų10552%0.51954%0.54SS..Hα-helixtrans-66.2-38.9174.1-165.9-179.8-99.700112.6L1178 K1179 V1185 R1186L1178-E1182 WeakPolarHBondContact O-CB 3.22Å; L1178-E1182 PolarHBondContact O-N 3.14Å; L1178-E1182 VanDerWaalsContact O-N 3.11Å; K1179-E1182 PolarHBondContact O-N 3.31Å; E1182-V1185 PolarHBondContact O-N 3.01Å; E1182-R1186 PolarHBondContact O-N 2.74Å; E1182-R1186 IonicContact OE2-CZ 2.64Å; E1182-R1186 IonicContact OE2-NH1 3.78Å; E1182-R1186 PolarHBondContact OE2-NH1 3Å
1183L42.5Very low47.7Very low92 Ų92103.2 Ų103.248%0.48253%0.527SS..Hα-helixtrans-64.6-40.2173.1-77.4167.4000112.2K1179 L1180 V1185 R1186 N1187K1179-L1183 WeakPolarHBondContact O-CB 3.21Å; K1179-L1183 VanDerWaalsContact O-CG 3.32Å; K1179-L1183 WeakPolarHBondContact O-CG 3.11Å; K1179-L1183 PolarHBondContact O-N 2.91Å; L1180-L1183 PolarHBondContact O-N 3.07Å; L1183-V1185 VanDerWaalsContact C-N 3.3Å; L1183-V1185 PolarHBondContact O-N 3.4Å; L1183-R1186 PolarHBondContact O-N 2.97Å; L1183-N1187 WeakPolarHBondContact O-CB 3.27Å; L1183-N1187 PolarHBondContact O-N 3.17Å
1184L41Very low50.2Low109 Ų10997 Ų9757%0.57149%0.494SS*.Hα-helixtrans-67.8-28.5174.3-72.3167.5000112.6L1180 S1181 K1188L1180-L1184 HydrophobicContact CG-CD1 4.34Å; L1180-L1184 WeakPolarHBondContact O-CB 3.19Å; L1180-L1184 VanDerWaalsContact O-CG 3.28Å; L1180-L1184 WeakPolarHBondContact O-CG 3.2Å; L1180-L1184 PolarHBondContact O-N 2.94Å; S1181-L1184 PolarHBondContact O-N 3.25Å; L1184-K1188 WeakPolarHBondContact O-CG 3.18Å; L1184-K1188 PolarHBondContact O-N 3.47Å
1185V50.3Low52.9Low42 Ų4290.4 Ų90.426%0.25546%0.458SS..Hα-helixtrans-77.2-30.7172.7168.60000112.4P650 S1181 E1182 L1183P650-V1185 HydrophobicContact CG-CG2 4.48Å; S1181-V1185 WeakPolarHBondContact O-CG2 3.25Å; S1181-V1185 PolarHBondContact O-N 3.45Å; E1182-V1185 PolarHBondContact O-N 3.01Å; L1183-V1185 VanDerWaalsContact C-N 3.3Å; L1183-V1185 PolarHBondContact O-N 3.4Å
1186R41.6Very low55.1Low169 Ų16992.1 Ų92.164%0.63846%0.461SS*.Hα-helixtrans-74.5-39.3171.2-80.7-171.6171.7111.33.8113.3E1182 L1183 K1188E1182-R1186 PolarHBondContact O-N 2.74Å; E1182-R1186 IonicContact OE2-CZ 2.64Å; E1182-R1186 IonicContact OE2-NH1 3.78Å; E1182-R1186 PolarHBondContact OE2-NH1 3Å; L1183-R1186 PolarHBondContact O-N 2.97Å; R1186-K1188 VanDerWaalsContact C-N 3.33Å; R1186-K1188 PolarHBondContact O-N 2.8Å
1187N43Very low57.5Low137 Ų13787.9 Ų87.973%0.73345%0.447SS*.SBendtrans-85.10.8-177.8-74.3-12.8000114.3L1183 S1189L1183-N1187 WeakPolarHBondContact O-CB 3.27Å; L1183-N1187 PolarHBondContact O-N 3.17Å; N1187-S1189 PolarHBondContact O-N 2.73Å
1188K49.9Very low59.8Low91 Ų9180.6 Ų80.640%0.39641%0.413SS..SBendtrans-70.8118.7164.8-90.2-179.5175.2-177.90109.5W1007 L1184 R1186 R1190W1007-K1188 HydrophobicContact CE3-CD 4.23Å; W1007-K1188 HydrophobicContact CH2-CB 3.69Å; W1007-K1188 HydrophobicContact CH2-CD 3.8Å; W1007-K1188 HydrophobicContact CH2-CG 3.54Å; W1007-K1188 HydrophobicContact CZ2-CD 4.16Å; W1007-K1188 HydrophobicContact CZ2-CG 4.04Å; W1007-K1188 HydrophobicContact CZ3-CB 3.87Å; W1007-K1188 HydrophobicContact CZ3-CD 3.82Å; W1007-K1188 HydrophobicContact CZ3-CG 3.97Å; L1184-K1188 WeakPolarHBondContact O-CG 3.18Å; L1184-K1188 PolarHBondContact O-N 3.47Å; R1186-K1188 VanDerWaalsContact C-N 3.33Å; R1186-K1188 PolarHBondContact O-N 2.8Å; K1188-R1190 PolarHBondContact O-N 2.85Å; K1188-R1190 VanDerWaalsContact O-N 3.1Å
1189S50.3Low62.2Low86 Ų8678 Ų7860%0.60139%0.394SS*.  trans-57.1115.9168.644.70000109.6W1007 N1008 N1187W1007-S1189 WeakPolarHBondContact CZ3-O 3.49Å; N1008-S1189 VanDerWaalsContact CG-O 3.31Å; N1008-S1189 PolarHBondContact ND2-O 2.84Å; N1008-S1189 PolarHBondContact OD1-O 3.4Å; N1187-S1189 PolarHBondContact O-N 2.73Å
1190R64.4Low64.4Low141 Ų14174.8 Ų74.853%0.53239%0.387SS..PPolyproline II helixtrans-99.9127.5173.5-58.9-173.2-170.2179.95.1108.3D653 K1188D653-R1190 IonicContact OD2-CZ 2.79Å; D653-R1190 IonicContact OD2-NH1 2.68Å; D653-R1190 PolarHBondContact OD2-NH1 2.72Å; D653-R1190 IonicContact OD2-NH2 2.63Å; D653-R1190 PolarHBondContact OD2-NH2 2.96Å; K1188-R1190 PolarHBondContact O-N 2.85Å; K1188-R1190 VanDerWaalsContact O-N 3.1Å
1191L76.6Confident66.6Low19 Ų1971 Ų7110%0.09937%0.366CS..PPolyproline II helixtrans-58.9152.5168.8-76.7164.7000111.2N1008 H1010 I1011 V1208 V1212 L1695N1008-L1191 WeakPolarHBondContact O-CD1 3.45Å; N1008-L1191 WeakPolarHBondContact OD1-CG 3.45Å; N1008-L1191 PolarHBondContact OD1-N 2.87Å; H1010-L1191 WeakPolarHBondContact O-CD1 3.39Å; I1011-L1191 HydrophobicContact CD1-CD2 4.36Å; I1011-L1191 HydrophobicContact CG1-CB 4Å; I1011-L1191 HydrophobicContact CG1-CD1 4.17Å; I1011-L1191 HydrophobicContact CG1-CG 4.46Å; L1191-V1208 HydrophobicContact CD2-CG1 4.01Å; L1191-V1212 HydrophobicContact CD1-CG2 3.85Å; L1191-V1212 HydrophobicContact CD2-CG2 4.25Å; L1191-L1695 HydrophobicContact CD1-CD2 4.07Å; L1191-L1695 HydrophobicContact CD2-CD2 4.38Å
1192P81.4Confident68.6Low12 Ų1268.9 Ų68.98%0.07835%0.35CS..PPolyproline II helixtrans-66.3140.6177.527.8-34.4000111.4I1011 I1198 H1201 P1209I1011-P1192 WeakPolarHBondContact CG2-O 3.41Å; P1192-I1198 HydrophobicContact CG-CG1 4.33Å; P1192-H1201 HydrophobicContact CB-CB 4.28Å; P1192-H1201 HydrophobicContact CG-CB 4.07Å; P1192-P1209 HydrophobicContact CG-CB 4.4Å; P1192-P1209 HydrophobicContact CG-CG 3.75Å
1193C82.3Confident70.6Confident69 Ų6969.9 Ų69.947%0.46636%0.355SS..  trans-110141.2173.8-60.70000110.6S1197C1193-S1197 VanDerWaalsContact O-CB 3.27Å; C1193-S1197 WeakPolarHBondContact O-CB 3.41Å; C1193-S1197 PolarHBondContact O-OG 3.08Å
1194G84.1Confident72.5Confident0 Ų071.6 Ų71.60%036%0.364CS..SBendtrans80.7140.1-172.900000112.9S1012 K1014 D1196 S1197S1012-G1194 PolarHBondContact O-N 2.79Å; K1014-G1194 WeakPolarHBondContact O-CA 3.4Å; K1014-G1194 PolarHBondContact O-N 2.76Å; G1194-D1196 VanDerWaalsContact C-N 3.31Å; G1194-D1196 PolarHBondContact O-N 3.17Å; G1194-S1197 WeakPolarHBondContact O-CB 3.44Å; G1194-S1197 PolarHBondContact O-N 3.05Å; G1194-S1197 VanDerWaalsContact O-N 3.15Å
1195I85.8Confident74.4Confident15 Ų1571 Ų718%0.07737%0.365CS..Hα-helixtrans-56.9-40.4-177.8-174.357.5000113.3L1013 S1197 I1198 A1222 E1225 M1226 I1229L1013-I1195 HydrophobicContact CD2-CD1 4.35Å; L1013-I1195 PolarHBondContact O-N 2.83Å; I1195-S1197 PolarHBondContact O-N 3.36Å; I1195-I1198 HydrophobicContact CD1-CD1 4.13Å; I1195-I1198 WeakPolarHBondContact O-CB 2.99Å; I1195-I1198 PolarHBondContact O-N 2.96Å; I1195-I1198 VanDerWaalsContact O-N 3.1Å; I1195-A1222 HydrophobicContact CB-CB 4.14Å; I1195-A1222 HydrophobicContact CG1-CB 4.49Å; I1195-A1222 HydrophobicContact CG2-CB 4.22Å; I1195-E1225 HydrophobicContact CD1-CB 4.05Å; I1195-E1225 HydrophobicContact CG1-CB 3.77Å; I1195-E1225 WeakPolarHBondContact CG1-OE2 3.27Å; I1195-M1226 HydrophobicContact CD1-CB 4.03Å; I1195-M1226 HydrophobicContact CD1-SD 4.44Å; I1195-I1229 HydrophobicContact CD1-CD1 3.81Å
1196D85.6Confident75.9Confident113 Ų11372.1 Ų72.160%0.60437%0.37SS*.Hα-helixtrans-56.6-35.4178.4-57-42.8000112.8T1015 G1194 I1198 P1200T1015-D1196 WeakPolarHBondContact CG2-OD2 3.49Å; G1194-D1196 VanDerWaalsContact C-N 3.31Å; G1194-D1196 PolarHBondContact O-N 3.17Å; D1196-I1198 VanDerWaalsContact C-N 3.29Å; D1196-I1198 PolarHBondContact O-N 2.99Å; D1196-P1200 WeakPolarHBondContact O-CD 2.95Å
1197S85.4Confident77.8Confident49 Ų4968.4 Ų68.434%0.34336%0.362SS..Hα-helixtrans-74.4-18.1-177-51.10000113C1193 G1194 I1195 H1201C1193-S1197 VanDerWaalsContact O-CB 3.27Å; C1193-S1197 WeakPolarHBondContact O-CB 3.41Å; C1193-S1197 PolarHBondContact O-OG 3.08Å; G1194-S1197 WeakPolarHBondContact O-CB 3.44Å; G1194-S1197 PolarHBondContact O-N 3.05Å; G1194-S1197 VanDerWaalsContact O-N 3.15Å; I1195-S1197 PolarHBondContact O-N 3.36Å; S1197-H1201 WeakPolarHBondContact O-CB 3.42Å; S1197-H1201 PolarHBondContact O-N 3.49Å
1198I87.4Confident79.7Confident0 Ų063.4 Ų63.40%034%0.337CS..Hα-helixtrans-73.2-44.2-174-60.5-177.4000111.1I1011 L1013 P1192 I1195 D1196 H1201 L1202 P1209 M1226 I1229I1011-I1198 HydrophobicContact CG2-CD1 4.17Å; L1013-I1198 HydrophobicContact CD2-CD1 3.77Å; P1192-I1198 HydrophobicContact CG-CG1 4.33Å; I1195-I1198 HydrophobicContact CD1-CD1 4.13Å; I1195-I1198 WeakPolarHBondContact O-CB 2.99Å; I1195-I1198 PolarHBondContact O-N 2.96Å; I1195-I1198 VanDerWaalsContact O-N 3.1Å; D1196-I1198 VanDerWaalsContact C-N 3.29Å; D1196-I1198 PolarHBondContact O-N 2.99Å; I1198-H1201 PolarHBondContact O-N 3.07Å; I1198-L1202 HydrophobicContact CG2-CD1 3.83Å; I1198-L1202 HydrophobicContact CG2-CG 4.14Å; I1198-L1202 WeakPolarHBondContact O-CG 3.33Å; I1198-L1202 PolarHBondContact O-N 3.15Å; I1198-P1209 HydrophobicContact CG2-CB 4.04Å; I1198-M1226 HydrophobicContact CD1-SD 3.82Å; I1198-M1226 HydrophobicContact CG2-SD 4.25Å; I1198-I1229 HydrophobicContact CB-CD1 4.48Å; I1198-I1229 HydrophobicContact CG2-CD1 4.33Å; I1198-I1229 HydrophobicContact CG2-CG2 4.45Å
1199R89.5Confident81.3Confident75 Ų7559.1 Ų59.128%0.28332%0.318SS..Hα-helixtrans-61.4-50.7-178.4-70.8177170.3-80.61.2112.6H1201 L1202 E1203 I1229 E1232R1199-H1201 VanDerWaalsContact C-N 3.27Å; R1199-H1201 PolarHBondContact O-N 3.21Å; R1199-L1202 PolarHBondContact O-N 3.28Å; R1199-E1203 WeakPolarHBondContact O-CG 2.87Å; R1199-E1203 PolarHBondContact O-N 2.93Å; R1199-I1229 HydrophobicContact CG-CD1 3.71Å; R1199-I1229 HydrophobicContact CG-CG1 3.95Å; R1199-E1232 IonicContact CZ-OE1 2.75Å; R1199-E1232 IonicContact CZ-OE2 2.69Å; R1199-E1232 IonicContact NH1-OE1 2.82Å; R1199-E1232 IonicContact NH1-OE2 3.8Å; R1199-E1232 PolarHBondContact NH1-OE2 3.16Å; R1199-E1232 VanDerWaalsContact NH2-CD 3.34Å; R1199-E1232 IonicContact NH2-OE1 3.59Å; R1199-E1232 PolarHBondContact NH2-OE1 3.39Å; R1199-E1232 IonicContact NH2-OE2 3.58Å; R1199-E1232 PolarHBondContact NH2-OE2 2.86Å; R1199-E1232 VanDerWaalsContact NH2-OE2 3.16Å
1200P86.5Confident82.9Confident67 Ų6755.6 Ų55.644%0.43529%0.292SS..Hα-helixtrans-61.8-33.1175.9-23.334.9000113.4D1196 E1203 N1204D1196-P1200 WeakPolarHBondContact O-CD 2.95Å; P1200-E1203 PolarHBondContact O-N 3.39Å; P1200-N1204 WeakPolarHBondContact O-CB 3.12Å; P1200-N1204 PolarHBondContact O-N 3.05Å; P1200-N1204 PolarHBondContact O-ND2 2.97Å
1201H84.7Confident83.7Confident35 Ų3551 Ų5116%0.16228%0.277CS..Hα-helixtrans-68.3-42177.6-163.1101.7000111.9P1192 S1197 I1198 R1199 E1203 V1205 D1206P1192-H1201 HydrophobicContact CB-CB 4.28Å; P1192-H1201 HydrophobicContact CG-CB 4.07Å; S1197-H1201 WeakPolarHBondContact O-CB 3.42Å; S1197-H1201 PolarHBondContact O-N 3.49Å; I1198-H1201 PolarHBondContact O-N 3.07Å; R1199-H1201 VanDerWaalsContact C-N 3.27Å; R1199-H1201 PolarHBondContact O-N 3.21Å; H1201-E1203 VanDerWaalsContact C-N 3.26Å; H1201-E1203 PolarHBondContact O-N 3.3Å; H1201-V1205 WeakPolarHBondContact O-CA 3.33Å; H1201-V1205 WeakPolarHBondContact O-CB 3.36Å; H1201-V1205 PolarHBondContact O-N 3.3Å; H1201-D1206 IonicContact CD2-OD1 3.87Å; H1201-D1206 IonicContact NE2-OD1 3.44Å; H1201-D1206 PolarHBondContact O-N 2.97Å
1202L85.8Confident84.2Confident15 Ų1550.3 Ų50.38%0.07927%0.274CS..Hα-helixtrans-66.6-25.8176.9-68.5177000113.8I1198 R1199 D1206 P1209 L1210 I1229 Y1233I1198-L1202 HydrophobicContact CG2-CD1 3.83Å; I1198-L1202 HydrophobicContact CG2-CG 4.14Å; I1198-L1202 WeakPolarHBondContact O-CG 3.33Å; I1198-L1202 PolarHBondContact O-N 3.15Å; R1199-L1202 PolarHBondContact O-N 3.28Å; L1202-D1206 WeakPolarHBondContact CA-O 3.2Å; L1202-P1209 HydrophobicContact CD2-CB 4.06Å; L1202-P1209 HydrophobicContact CD2-CG 4.11Å; L1202-L1210 HydrophobicContact CD1-CD1 4.33Å; L1202-L1210 HydrophobicContact CD1-CD2 4.2Å; L1202-L1210 HydrophobicContact CD1-CG 4.12Å; L1202-L1210 HydrophobicContact CD2-CD1 4.02Å; L1202-L1210 HydrophobicContact CD2-CG 3.84Å; L1202-I1229 HydrophobicContact CD1-CG2 3.38Å; L1202-Y1233 HydrophobicContact CB-CE1 3.97Å; L1202-Y1233 HydrophobicContact CB-CE2 4.24Å; L1202-Y1233 HydrophobicContact CD1-CD2 4.12Å; L1202-Y1233 HydrophobicContact CD1-CE2 3.91Å
1203E84.7Confident84.5Confident131 Ų13150.4 Ų50.461%0.61228%0.275SS*.Hα-helixtrans-87.4-35.7178.7-70.2171.9-16900113R1199 P1200 H1201 Y1233R1199-E1203 WeakPolarHBondContact O-CG 2.87Å; R1199-E1203 PolarHBondContact O-N 2.93Å; P1200-E1203 PolarHBondContact O-N 3.39Å; H1201-E1203 VanDerWaalsContact C-N 3.26Å; H1201-E1203 PolarHBondContact O-N 3.3Å; E1203-Y1233 WeakPolarHBondContact CG-OH 3.39Å
1204N83Confident84.9Confident129 Ų12947.2 Ų47.269%0.6925%0.253SS*.Hα-helixtrans-115.2-11.7-168.1-59.8-86.1000115.1P1200P1200-N1204 WeakPolarHBondContact O-CB 3.12Å; P1200-N1204 PolarHBondContact O-N 3.05Å; P1200-N1204 PolarHBondContact O-ND2 2.97Å
1205V80.5Confident85.3Confident97 Ų9747.3 Ų47.359%0.58825%0.253SS*.THydrogen-bonded Turntrans-122.1-79.7-175-172.50000111H1201H1201-V1205 WeakPolarHBondContact O-CA 3.33Å; H1201-V1205 WeakPolarHBondContact O-CB 3.36Å; H1201-V1205 PolarHBondContact O-N 3.3Å
1206D80.6Confident85.3Confident65 Ų6546.6 Ų46.635%0.34825%0.249SC..  trans-157.6178.2-177.869.236.7000112H1201 L1202 V1208 P1209H1201-D1206 IonicContact CD2-OD1 3.87Å; H1201-D1206 IonicContact NE2-OD1 3.44Å; H1201-D1206 PolarHBondContact O-N 2.97Å; L1202-D1206 WeakPolarHBondContact CA-O 3.2Å; D1206-V1208 HydrophobicContact CB-CG2 4.24Å; D1206-V1208 VanDerWaalsContact CG-CG2 3.4Å; D1206-V1208 WeakPolarHBondContact OD1-CA 3.13Å; D1206-V1208 WeakPolarHBondContact OD1-CB 3.4Å; D1206-V1208 VanDerWaalsContact OD1-CG2 3.3Å; D1206-V1208 WeakPolarHBondContact OD1-CG2 3.04Å; D1206-V1208 PolarHBondContact OD1-N 2.73Å; D1206-V1208 WeakPolarHBondContact OD2-CG2 3.34Å; D1206-P1209 WeakPolarHBondContact OD1-CD 3.42Å
1207N82.6Confident85.3Confident91 Ų9142.7 Ų42.749%0.48723%0.229SC..SBendtrans-96.611.9177.367.531.4000114.2L1210 Q1211N1207-L1210 HydrophobicContact CB-CD1 4.49Å; N1207-L1210 WeakPolarHBondContact O-CB 3Å; N1207-L1210 PolarHBondContact O-N 3.22Å; N1207-L1210 VanDerWaalsContact O-N 3.08Å; N1207-Q1211 PolarHBondContact OD1-NE2 2.89Å
1208V82Confident85.2Confident32 Ų3240.6 Ų40.619%0.19421%0.214CC..G310 helixtrans-63.5-31.9-173.9179.30000113.4L1191 D1206 L1210 Q1211 V1212 L1695L1191-V1208 HydrophobicContact CD2-CG1 4.01Å; D1206-V1208 HydrophobicContact CB-CG2 4.24Å; D1206-V1208 VanDerWaalsContact CG-CG2 3.4Å; D1206-V1208 WeakPolarHBondContact OD1-CA 3.13Å; D1206-V1208 WeakPolarHBondContact OD1-CB 3.4Å; D1206-V1208 VanDerWaalsContact OD1-CG2 3.3Å; D1206-V1208 WeakPolarHBondContact OD1-CG2 3.04Å; D1206-V1208 PolarHBondContact OD1-N 2.73Å; D1206-V1208 WeakPolarHBondContact OD2-CG2 3.34Å; V1208-L1210 PolarHBondContact O-N 3.35Å; V1208-L1210 VanDerWaalsContact O-N 3.13Å; V1208-Q1211 WeakPolarHBondContact O-CA 3.3Å; V1208-Q1211 WeakPolarHBondContact O-CB 3.4Å; V1208-Q1211 PolarHBondContact O-N 3.32Å; V1208-V1212 PolarHBondContact O-N 3.14Å; V1208-L1695 HydrophobicContact CG1-CD1 4.14Å; V1208-L1695 HydrophobicContact CG1-CD2 3.31Å; V1208-L1695 HydrophobicContact CG1-CG 3.43Å; V1208-L1695 VanDerWaalsContact CG1-CG 3.43Å
1209P83.7Confident85Confident0 Ų043.8 Ų43.80%023%0.234CC..G310 helixtrans-58.1-23.9171-27.935.7000115I1011 P1192 I1198 L1202 D1206 Q1211I1011-P1209 HydrophobicContact CD1-CB 3.76Å; I1011-P1209 HydrophobicContact CD1-CG 4.44Å; P1192-P1209 HydrophobicContact CG-CB 4.4Å; P1192-P1209 HydrophobicContact CG-CG 3.75Å; I1198-P1209 HydrophobicContact CG2-CB 4.04Å; L1202-P1209 HydrophobicContact CD2-CB 4.06Å; L1202-P1209 HydrophobicContact CD2-CG 4.11Å; D1206-P1209 WeakPolarHBondContact OD1-CD 3.42Å; P1209-Q1211 VanDerWaalsContact C-N 3.32Å
1210L84.5Confident84.6Confident12 Ų1242.8 Ų42.86%0.06324%0.237CC..G310 helixtrans-81.9-11.9171.9-60.6168.7000113R982 L1202 N1207 V1208 M1226 I1229 M1230 Y1233R982-L1210 PolarHBondContact NH1-O 3.44Å; L1202-L1210 HydrophobicContact CD1-CD1 4.33Å; L1202-L1210 HydrophobicContact CD1-CD2 4.2Å; L1202-L1210 HydrophobicContact CD1-CG 4.12Å; L1202-L1210 HydrophobicContact CD2-CD1 4.02Å; L1202-L1210 HydrophobicContact CD2-CG 3.84Å; N1207-L1210 HydrophobicContact CB-CD1 4.49Å; N1207-L1210 WeakPolarHBondContact O-CB 3Å; N1207-L1210 PolarHBondContact O-N 3.22Å; N1207-L1210 VanDerWaalsContact O-N 3.08Å; V1208-L1210 PolarHBondContact O-N 3.35Å; V1208-L1210 VanDerWaalsContact O-N 3.13Å; L1210-M1226 HydrophobicContact CD2-CE 4.22Å; L1210-I1229 HydrophobicContact CD2-CG2 4.23Å; L1210-M1230 HydrophobicContact CD2-CG 4Å; L1210-Y1233 VanDerWaalsContact CD1-CB 3.44Å; L1210-Y1233 HydrophobicContact CD1-CD1 3.93Å; L1210-Y1233 HydrophobicContact CD1-CG 3.75Å
1211Q82.1Confident84.5Confident46 Ų4647.7 Ų47.722%0.21525%0.251CS..THydrogen-bonded Turntrans-91.6-18.8-179.1-55.6-163.64100113.7R982 N1207 V1208 P1209 L1695R982-Q1211 VanDerWaalsContact CZ-CA 3.46Å; R982-Q1211 PolarHBondContact NE-O 3.04Å; N1207-Q1211 PolarHBondContact OD1-NE2 2.89Å; V1208-Q1211 WeakPolarHBondContact O-CA 3.3Å; V1208-Q1211 WeakPolarHBondContact O-CB 3.4Å; V1208-Q1211 PolarHBondContact O-N 3.32Å; P1209-Q1211 VanDerWaalsContact C-N 3.32Å; Q1211-L1695 HydrophobicContact CB-CD1 4.32Å
1212V85.9Confident84.6Confident4 Ų446.2 Ų46.22%0.02425%0.245CC..  trans-61.5139.4177.8166.10000112.3I1011 L1191 V1208 L1214 F1215 L1695I1011-V1212 HydrophobicContact CD1-CB 4.3Å; I1011-V1212 HydrophobicContact CD1-CG1 4.42Å; I1011-V1212 HydrophobicContact CD1-CG2 3.91Å; I1011-V1212 HydrophobicContact CG1-CG1 4.41Å; I1011-V1212 HydrophobicContact CG1-CG2 4.24Å; L1191-V1212 HydrophobicContact CD1-CG2 3.85Å; L1191-V1212 HydrophobicContact CD2-CG2 4.25Å; V1208-V1212 PolarHBondContact O-N 3.14Å; V1212-L1214 WeakPolarHBondContact CG1-O 3.43Å; V1212-F1215 HydrophobicContact CB-CE2 4.41Å; V1212-F1215 HydrophobicContact CB-CZ 4.08Å; V1212-F1215 HydrophobicContact CG1-CD2 4.49Å; V1212-F1215 HydrophobicContact CG1-CE1 4.35Å; V1212-F1215 HydrophobicContact CG1-CE2 3.99Å; V1212-F1215 HydrophobicContact CG1-CZ 3.89Å; V1212-L1695 HydrophobicContact CG2-CD2 3.91Å
1213S88Confident84.8Confident14 Ų1445.6 Ų45.610%0.09824%0.242CC..SBendtrans-102.8-8.7178.555.60000114.8F983 V984 H985F983-S1213 WeakPolarHBondContact O-CB 3.39Å; V984-S1213 WeakPolarHBondContact CA-O 3.41Å; H985-S1213 PolarHBondContact N-O 2.94Å
1214L90.8Very high85Confident1 Ų140.6 Ų40.61%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-132.6123.4-178.5-179.865.1000111.2H985 A998 H1010 I1011 V1212 T1216H985-L1214 HydrophobicContact CB-CD1 4.06Å; A998-L1214 HydrophobicContact CB-CD1 4.11Å; A998-L1214 HydrophobicContact CB-CD2 3.78Å; A998-L1214 HydrophobicContact CB-CG 4.42Å; H1010-L1214 WeakPolarHBondContact CA-O 3.32Å; H1010-L1214 HydrophobicContact CB-CB 3.94Å; H1010-L1214 HydrophobicContact CB-CD2 3.94Å; H1010-L1214 HydrophobicContact CB-CG 4.04Å; H1010-L1214 WeakPolarHBondContact CB-O 3.5Å; I1011-L1214 PolarHBondContact N-O 3.03Å; V1212-L1214 WeakPolarHBondContact CG1-O 3.43Å; L1214-T1216 HydrophobicContact CD1-CG2 4.4Å; L1214-T1216 HydrophobicContact CD2-CG2 4.1Å; L1214-T1216 HydrophobicContact CG-CG2 3.91Å
1215F91.5Very high85.3Confident2 Ų238.7 Ų38.71%0.00921%0.208CC..EExtended strand (participates in β ladder)trans-112.6139168.4-65.5-89.9000109.1V984 H985 F986 S987 I1011 L1013 V1212 C1218 M1226V984-F1215 HydrophobicContact CG1-CD2 3.57Å; V984-F1215 HydrophobicContact CG1-CE2 3.63Å; H985-F1215 PolarHBondContact O-N 3.33Å; F986-F1215 HydrophobicContact CD1-CB 3.59Å; F986-F1215 HydrophobicContact CD1-CD2 4.05Å; F986-F1215 AromaticContact CD1-CG 3.94Å; F986-F1215 HydrophobicContact CD1-CG 3.94Å; F986-F1215 HydrophobicContact CE1-CB 3.91Å; F986-F1215 HydrophobicContact CE1-CD1 4.43Å; F986-F1215 AromaticContact CE1-CD2 3.64Å; F986-F1215 HydrophobicContact CE1-CD2 3.64Å; F986-F1215 HydrophobicContact CE1-CE2 4.36Å; F986-F1215 AromaticContact CE1-CG 3.71Å; F986-F1215 HydrophobicContact CE1-CG 3.71Å; F986-F1215 HydrophobicContact CZ-CD2 4.13Å; S987-F1215 WeakPolarHBondContact CB-O 3.46Å; S987-F1215 PolarHBondContact N-O 3.2Å; I1011-F1215 HydrophobicContact CB-CD1 3.73Å; I1011-F1215 HydrophobicContact CB-CE1 3.74Å; I1011-F1215 HydrophobicContact CD1-CE1 3.82Å; I1011-F1215 HydrophobicContact CD1-CZ 4.39Å; I1011-F1215 HydrophobicContact CG1-CE1 4.33Å; I1011-F1215 HydrophobicContact CG2-CD1 3.87Å; I1011-F1215 HydrophobicContact CG2-CE1 3.97Å; I1011-F1215 CarbonylContact O-C 3.45Å; I1011-F1215 VanDerWaalsContact O-CA 3.26Å; I1011-F1215 WeakPolarHBondContact O-CA 3.29Å; L1013-F1215 HydrophobicContact CD1-CB 4.16Å; L1013-F1215 HydrophobicContact CD1-CD1 4.31Å; L1013-F1215 HydrophobicContact CD2-CD1 3.83Å; L1013-F1215 HydrophobicContact CD2-CE1 4.43Å; L1013-F1215 HydrophobicContact CG-CB 4.24Å; L1013-F1215 HydrophobicContact CG-CD1 4Å; V1212-F1215 HydrophobicContact CB-CE2 4.41Å; V1212-F1215 HydrophobicContact CB-CZ 4.08Å; V1212-F1215 HydrophobicContact CG1-CD2 4.49Å; V1212-F1215 HydrophobicContact CG1-CE1 4.35Å; V1212-F1215 HydrophobicContact CG1-CE2 3.99Å; V1212-F1215 HydrophobicContact CG1-CZ 3.89Å; F1215-C1218 PolarHBondContact O-SG 3.17Å; F1215-C1218 VanDerWaalsContact O-SG 3.4Å; F1215-M1226 HydrophobicContact CE1-CE 3.95Å; F1215-M1226 HydrophobicContact CE1-CG 4.4Å; F1215-M1226 HydrophobicContact CE1-SD 4.37Å; F1215-M1226 HydrophobicContact CZ-CE 3.64Å
1216T87.7Confident85.8Confident0 Ų034.1 Ų34.10%018%0.181CC..EExtended strand (participates in β ladder)trans-125162.7-174.374.60000111.3S987 I1011 S1012 L1013 L1214 C1218S987-T1216 CarbonylContact O-C 3.53Å; I1011-T1216 PolarHBondContact O-N 3.06Å; S1012-T1216 WeakPolarHBondContact CA-OG1 3.4Å; L1013-T1216 PolarHBondContact N-O 2.99Å; L1214-T1216 HydrophobicContact CD1-CG2 4.4Å; L1214-T1216 HydrophobicContact CD2-CG2 4.1Å; L1214-T1216 HydrophobicContact CG-CG2 3.91Å; T1216-C1218 PolarHBondContact O-N 3.18Å
1217D83.6Confident86.2Confident32 Ų3231 Ų3117%0.17116%0.164CC..SBendtrans56.533.8-178.5-42.9-93.1000112.1S987 E989 S1012 K1014 T1219S987-D1217 PolarHBondContact O-N 3.43Å; E989-D1217 PolarHBondContact O-N 3.03Å; E989-D1217 VanDerWaalsContact O-N 3.08Å; S1012-D1217 WeakPolarHBondContact CB-OD2 3.42Å; S1012-D1217 VanDerWaalsContact OG-CG 3.3Å; S1012-D1217 PolarHBondContact OG-OD2 3.44Å; K1014-D1217 HydrophobicContact CB-CB 3.8Å; D1217-T1219 PolarHBondContact O-N 3.29Å
1218C85Confident86.5Confident5 Ų531 Ų313%0.03416%0.161CC..  trans-73.5113.5-168.1-64.70000113.1F986 S987 L1013 F1215 T1216 V1223F986-C1218 HydrophobicContact CB-CB 4.43Å; S987-C1218 WeakPolarHBondContact O-CB 3.45Å; S987-C1218 PolarHBondContact O-N 2.82Å; S987-C1218 PolarHBondContact O-SG 3.47Å; L1013-C1218 HydrophobicContact CD1-CB 4.46Å; F1215-C1218 PolarHBondContact O-SG 3.17Å; F1215-C1218 VanDerWaalsContact O-SG 3.4Å; T1216-C1218 PolarHBondContact O-N 3.18Å; C1218-V1223 HydrophobicContact CB-CG2 3.72Å
1219T83.1Confident86.8Confident67 Ų6729.5 Ų29.541%0.41115%0.152SC..  trans-85.4151.5165.572.80000111.1D1217 K1221 A1222 V1223D1217-T1219 PolarHBondContact O-N 3.29Å; T1219-K1221 PolarHBondContact O-N 3.26Å; T1219-A1222 PolarHBondContact O-N 2.68Å; T1219-A1222 VanDerWaalsContact O-N 3.14Å; T1219-A1222 WeakPolarHBondContact OG1-CB 3.33Å; T1219-A1222 PolarHBondContact OG1-N 3.12Å; T1219-V1223 WeakPolarHBondContact O-CG2 3.45Å; T1219-V1223 PolarHBondContact O-N 2.72Å
1220P80.7Confident87Confident53 Ų5329.7 Ų29.734%0.34415%0.153SC..Hα-helixtrans-58.2-32.3179.6-26.835.8000114.2S1224 I1247P1220-S1224 WeakPolarHBondContact O-CB 3.47Å; P1220-S1224 PolarHBondContact O-N 3.16Å; P1220-I1247 HydrophobicContact CB-CG2 3.57Å; P1220-I1247 HydrophobicContact CG-CG2 3.55Å
1221K83.9Confident87.1Confident171 Ų17131.1 Ų31.174%0.74316%0.158SC*.Hα-helixtrans-68.7-45.9176.1-65.6-176179.4-178.80111.6T1219 V1223 S1224 E1225T1219-K1221 PolarHBondContact O-N 3.26Å; K1221-V1223 PolarHBondContact O-N 3.02Å; K1221-S1224 VanDerWaalsContact O-CB 3.32Å; K1221-S1224 WeakPolarHBondContact O-CB 3.46Å; K1221-S1224 PolarHBondContact O-N 3.29Å; K1221-E1225 PolarHBondContact O-N 3.35Å
1222A87.8Confident87.1Confident3 Ų333 Ų333%0.02517%0.167CC..Hα-helixtrans-66.9-35177.600000112.8L1013 I1195 T1219 E1225 M1226L1013-A1222 HydrophobicContact CB-CB 4Å; L1013-A1222 HydrophobicContact CD1-CB 4.09Å; I1195-A1222 HydrophobicContact CB-CB 4.14Å; I1195-A1222 HydrophobicContact CG1-CB 4.49Å; I1195-A1222 HydrophobicContact CG2-CB 4.22Å; T1219-A1222 PolarHBondContact O-N 2.68Å; T1219-A1222 VanDerWaalsContact O-N 3.14Å; T1219-A1222 WeakPolarHBondContact OG1-CB 3.33Å; T1219-A1222 PolarHBondContact OG1-N 3.12Å; A1222-E1225 PolarHBondContact O-N 2.78Å; A1222-M1226 WeakPolarHBondContact O-CB 3.39Å; A1222-M1226 PolarHBondContact O-N 3.42Å
1223V90Very high86.9Confident3 Ų336.4 Ų36.42%0.01818%0.18CC..Hα-helixtrans-64.3-42.8172.5176.10000111V400 F986 L1013 C1218 T1219 K1221 M1226 I1227 L1251V400-V1223 HydrophobicContact CG2-CG1 4.28Å; F986-V1223 HydrophobicContact CB-CG2 4.08Å; F986-V1223 HydrophobicContact CD1-CG1 4.25Å; F986-V1223 HydrophobicContact CD1-CG2 3.83Å; F986-V1223 HydrophobicContact CD2-CG1 4.23Å; F986-V1223 HydrophobicContact CE2-CG1 4.5Å; F986-V1223 HydrophobicContact CG-CG1 4.1Å; F986-V1223 HydrophobicContact CG-CG2 4.07Å; L1013-V1223 HydrophobicContact CD1-CG2 4.48Å; C1218-V1223 HydrophobicContact CB-CG2 3.72Å; T1219-V1223 WeakPolarHBondContact O-CG2 3.45Å; T1219-V1223 PolarHBondContact O-N 2.72Å; K1221-V1223 PolarHBondContact O-N 3.02Å; V1223-M1226 PolarHBondContact O-N 2.83Å; V1223-I1227 HydrophobicContact CG1-CD1 3.83Å; V1223-I1227 HydrophobicContact CG1-CG1 4.47Å; V1223-I1227 WeakPolarHBondContact O-CD1 3.44Å; V1223-I1227 VanDerWaalsContact O-CG1 3.27Å; V1223-I1227 WeakPolarHBondContact O-CG1 3.39Å; V1223-I1227 PolarHBondContact O-N 3.32Å; V1223-L1251 HydrophobicContact CG1-CD1 4.05Å; V1223-L1251 HydrophobicContact CG1-CD2 4.35Å
1224S88.6Confident86.3Confident26 Ų2635.8 Ų35.818%0.18218%0.176CC..Hα-helixtrans-56.4-50.9174.3163.20000111.6P1220 K1221 M1226 I1227 Q1228 Q1254P1220-S1224 WeakPolarHBondContact O-CB 3.47Å; P1220-S1224 PolarHBondContact O-N 3.16Å; K1221-S1224 VanDerWaalsContact O-CB 3.32Å; K1221-S1224 WeakPolarHBondContact O-CB 3.46Å; K1221-S1224 PolarHBondContact O-N 3.29Å; S1224-M1226 PolarHBondContact O-N 2.8Å; S1224-I1227 PolarHBondContact O-N 3.47Å; S1224-Q1228 PolarHBondContact O-N 3.08Å; S1224-Q1228 VanDerWaalsContact O-N 3.14Å; S1224-Q1254 VanDerWaalsContact CB-OE1 3.27Å; S1224-Q1254 PolarHBondContact O-NE2 3.25Å; S1224-Q1254 PolarHBondContact O-OE1 3.2Å; S1224-Q1254 PolarHBondContact OG-NE2 2.79Å; S1224-Q1254 VanDerWaalsContact OG-NE2 3.07Å; S1224-Q1254 PolarHBondContact OG-OE1 3.05Å
1225E89Confident85.9Confident89 Ų8936.2 Ų36.242%0.41618%0.178SC..Hα-helixtrans-65.6-38.7179.4-72.5173.3169.900112.6I1195 K1221 A1222 Q1228 I1229I1195-E1225 HydrophobicContact CD1-CB 4.05Å; I1195-E1225 HydrophobicContact CG1-CB 3.77Å; I1195-E1225 WeakPolarHBondContact CG1-OE2 3.27Å; K1221-E1225 PolarHBondContact O-N 3.35Å; A1222-E1225 PolarHBondContact O-N 2.78Å; E1225-Q1228 WeakPolarHBondContact O-CB 3.31Å; E1225-Q1228 PolarHBondContact O-N 3.41Å; E1225-Q1228 VanDerWaalsContact O-N 3.15Å; E1225-I1229 WeakPolarHBondContact O-CG1 3.33Å; E1225-I1229 PolarHBondContact O-N 3.08Å
1226M91.7Very high85.5Confident1 Ų136.5 Ų36.51%0.00518%0.18CC..Hα-helixtrans-65.6-40.2177-170.958.4-166.100112.3F986 I1195 I1198 L1210 F1215 A1222 V1223 S1224 Q1228 I1229 M1230F986-M1226 HydrophobicContact CE1-CB 4.17Å; F986-M1226 HydrophobicContact CE1-CG 3.96Å; F986-M1226 HydrophobicContact CZ-CB 4.4Å; F986-M1226 HydrophobicContact CZ-CG 4.07Å; I1195-M1226 HydrophobicContact CD1-CB 4.03Å; I1195-M1226 HydrophobicContact CD1-SD 4.44Å; I1198-M1226 HydrophobicContact CD1-SD 3.82Å; I1198-M1226 HydrophobicContact CG2-SD 4.25Å; L1210-M1226 HydrophobicContact CD2-CE 4.22Å; F1215-M1226 HydrophobicContact CE1-CE 3.95Å; F1215-M1226 HydrophobicContact CE1-CG 4.4Å; F1215-M1226 HydrophobicContact CE1-SD 4.37Å; F1215-M1226 HydrophobicContact CZ-CE 3.64Å; A1222-M1226 WeakPolarHBondContact O-CB 3.39Å; A1222-M1226 PolarHBondContact O-N 3.42Å; V1223-M1226 PolarHBondContact O-N 2.83Å; S1224-M1226 PolarHBondContact O-N 2.8Å; M1226-Q1228 PolarHBondContact O-N 2.82Å; M1226-I1229 PolarHBondContact O-N 3.44Å; M1226-I1229 HydrophobicContact SD-CB 4.4Å; M1226-I1229 HydrophobicContact SD-CD1 4.36Å; M1226-M1230 HydrophobicContact CE-CG 4.01Å; M1226-M1230 WeakPolarHBondContact O-CG 3.14Å; M1226-M1230 PolarHBondContact O-N 3.09Å
1227I88.9Confident85.5Confident0 Ų036.5 Ų36.50%018%0.18CC..Hα-helixtrans-59.5-38.5172.7-70.3164.3000110.6V1223 S1224 K1231 V1237 L1239V1223-I1227 HydrophobicContact CG1-CD1 3.83Å; V1223-I1227 HydrophobicContact CG1-CG1 4.47Å; V1223-I1227 WeakPolarHBondContact O-CD1 3.44Å; V1223-I1227 VanDerWaalsContact O-CG1 3.27Å; V1223-I1227 WeakPolarHBondContact O-CG1 3.39Å; V1223-I1227 PolarHBondContact O-N 3.32Å; S1224-I1227 PolarHBondContact O-N 3.47Å; I1227-K1231 HydrophobicContact CG2-CD 4.1Å; I1227-K1231 WeakPolarHBondContact O-CG 3.36Å; I1227-K1231 PolarHBondContact O-N 2.79Å; I1227-V1237 HydrophobicContact CG2-CG1 4.41Å; I1227-L1239 HydrophobicContact CD1-CD1 3.66Å; I1227-L1239 HydrophobicContact CD1-CD2 4.14Å; I1227-L1239 HydrophobicContact CG1-CD1 4.47Å
1228Q88.4Confident85.8Confident89 Ų8935 Ų3542%0.41617%0.172SC..Hα-helixtrans-65.9-45.7175.8-160.5-174.8-62.400112S1224 E1225 M1226 M1230 K1231 E1232S1224-Q1228 PolarHBondContact O-N 3.08Å; S1224-Q1228 VanDerWaalsContact O-N 3.14Å; E1225-Q1228 WeakPolarHBondContact O-CB 3.31Å; E1225-Q1228 PolarHBondContact O-N 3.41Å; E1225-Q1228 VanDerWaalsContact O-N 3.15Å; M1226-Q1228 PolarHBondContact O-N 2.82Å; Q1228-M1230 PolarHBondContact O-N 3.12Å; Q1228-K1231 PolarHBondContact O-N 2.88Å; Q1228-E1232 WeakPolarHBondContact CG-OE1 3.26Å; Q1228-E1232 PolarHBondContact NE2-OE1 3.3Å; Q1228-E1232 WeakPolarHBondContact O-CG 3.19Å; Q1228-E1232 PolarHBondContact O-N 2.81Å
1229I89.2Confident86Confident1 Ų134.8 Ų34.81%0.00517%0.171CC..Hα-helixtrans-57.6-47.7176.9-68.2165.3000110.8I1195 I1198 R1199 L1202 L1210 E1225 M1226 K1231 E1232 Y1233I1195-I1229 HydrophobicContact CD1-CD1 3.81Å; I1198-I1229 HydrophobicContact CB-CD1 4.48Å; I1198-I1229 HydrophobicContact CG2-CD1 4.33Å; I1198-I1229 HydrophobicContact CG2-CG2 4.45Å; R1199-I1229 HydrophobicContact CG-CD1 3.71Å; R1199-I1229 HydrophobicContact CG-CG1 3.95Å; L1202-I1229 HydrophobicContact CD1-CG2 3.38Å; L1210-I1229 HydrophobicContact CD2-CG2 4.23Å; E1225-I1229 WeakPolarHBondContact O-CG1 3.33Å; E1225-I1229 PolarHBondContact O-N 3.08Å; M1226-I1229 PolarHBondContact O-N 3.44Å; M1226-I1229 HydrophobicContact SD-CB 4.4Å; M1226-I1229 HydrophobicContact SD-CD1 4.36Å; I1229-K1231 VanDerWaalsContact C-N 3.29Å; I1229-K1231 PolarHBondContact O-N 3.36Å; I1229-E1232 PolarHBondContact O-N 3.26Å; I1229-Y1233 HydrophobicContact CG2-CD2 4.17Å; I1229-Y1233 HydrophobicContact CG2-CE2 4.46Å; I1229-Y1233 WeakPolarHBondContact O-CD2 3.33Å; I1229-Y1233 PolarHBondContact O-N 2.91Å
1230M87.9Confident86.4Confident4 Ų431.6 Ų31.62%0.0215%0.151CC..Hα-helixtrans-56.8-43177-67.8175.575.500112.1V984 L1210 M1226 Q1228 Y1233 G1234 D1235 V1237V984-M1230 HydrophobicContact CG2-CE 4.35Å; L1210-M1230 HydrophobicContact CD2-CG 4Å; M1226-M1230 HydrophobicContact CE-CG 4.01Å; M1226-M1230 WeakPolarHBondContact O-CG 3.14Å; M1226-M1230 PolarHBondContact O-N 3.09Å; Q1228-M1230 PolarHBondContact O-N 3.12Å; M1230-Y1233 CarbonylContact O-C 3.59Å; M1230-Y1233 PolarHBondContact O-N 2.99Å; M1230-G1234 PolarHBondContact O-N 2.9Å; M1230-D1235 PolarHBondContact O-N 3.04Å; M1230-V1237 HydrophobicContact CB-CG2 3.85Å; M1230-V1237 HydrophobicContact CE-CG2 4.32Å
1231K84.9Confident86.7Confident43 Ų4329.1 Ų29.119%0.18714%0.135CC..Hα-helixtrans-69.3-37.2179.7-73.7175.152.8150.60113.2I1227 Q1228 I1229 G1234 D1235 V1237 Q1254 S1255 D1256I1227-K1231 HydrophobicContact CG2-CD 4.1Å; I1227-K1231 WeakPolarHBondContact O-CG 3.36Å; I1227-K1231 PolarHBondContact O-N 2.79Å; Q1228-K1231 PolarHBondContact O-N 2.88Å; I1229-K1231 VanDerWaalsContact C-N 3.29Å; I1229-K1231 PolarHBondContact O-N 3.36Å; K1231-G1234 PolarHBondContact O-N 3.07Å; K1231-D1235 WeakPolarHBondContact CA-O 2.94Å; K1231-V1237 HydrophobicContact CD-CG2 4.47Å; K1231-V1237 HydrophobicContact CG-CB 4.34Å; K1231-V1237 HydrophobicContact CG-CG2 3.8Å; K1231-Q1254 PolarHBondContact NZ-O 2.82Å; K1231-S1255 VanDerWaalsContact NZ-C 3.32Å; K1231-S1255 PolarHBondContact NZ-O 3.21Å; K1231-D1256 WeakPolarHBondContact CE-OD1 3.11Å; K1231-D1256 IonicContact NZ-OD1 3.81Å; K1231-D1256 PolarHBondContact NZ-OD1 2.91Å
1232E82.8Confident86.6Confident84 Ų8421 Ų2139%0.39310%0.099SC..Hα-helixtrans-63.4-45.8173.9-73.2169.3-153.600111.5R1199 Q1228 I1229 G1234R1199-E1232 IonicContact CZ-OE1 2.75Å; R1199-E1232 IonicContact CZ-OE2 2.69Å; R1199-E1232 IonicContact NH1-OE1 2.82Å; R1199-E1232 IonicContact NH1-OE2 3.8Å; R1199-E1232 PolarHBondContact NH1-OE2 3.16Å; R1199-E1232 VanDerWaalsContact NH2-CD 3.34Å; R1199-E1232 IonicContact NH2-OE1 3.59Å; R1199-E1232 PolarHBondContact NH2-OE1 3.39Å; R1199-E1232 IonicContact NH2-OE2 3.58Å; R1199-E1232 PolarHBondContact NH2-OE2 2.86Å; R1199-E1232 VanDerWaalsContact NH2-OE2 3.16Å; Q1228-E1232 WeakPolarHBondContact CG-OE1 3.26Å; Q1228-E1232 PolarHBondContact NE2-OE1 3.3Å; Q1228-E1232 WeakPolarHBondContact O-CG 3.19Å; Q1228-E1232 PolarHBondContact O-N 2.81Å; I1229-E1232 PolarHBondContact O-N 3.26Å; E1232-G1234 PolarHBondContact O-N 2.87Å; E1232-G1234 VanDerWaalsContact O-N 3.07Å
1233Y82.2Confident86.3Confident77 Ų7721.1 Ų21.130%0.30210%0.1SC..THydrogen-bonded Turntrans-76.713.4176-76.5-99.6000114L1202 E1203 L1210 I1229 M1230 K1484L1202-Y1233 HydrophobicContact CB-CE1 3.97Å; L1202-Y1233 HydrophobicContact CB-CE2 4.24Å; L1202-Y1233 HydrophobicContact CD1-CD2 4.12Å; L1202-Y1233 HydrophobicContact CD1-CE2 3.91Å; E1203-Y1233 WeakPolarHBondContact CG-OH 3.39Å; L1210-Y1233 VanDerWaalsContact CD1-CB 3.44Å; L1210-Y1233 HydrophobicContact CD1-CD1 3.93Å; L1210-Y1233 HydrophobicContact CD1-CG 3.75Å; I1229-Y1233 HydrophobicContact CG2-CD2 4.17Å; I1229-Y1233 HydrophobicContact CG2-CE2 4.46Å; I1229-Y1233 WeakPolarHBondContact O-CD2 3.33Å; I1229-Y1233 PolarHBondContact O-N 2.91Å; M1230-Y1233 CarbonylContact O-C 3.59Å; M1230-Y1233 PolarHBondContact O-N 2.99Å; Y1233-K1484 PolarHBondContact O-NZ 2.99Å
1234G75.7Confident85.6Confident1 Ų121.1 Ų21.11%0.0110%0.1CC..THydrogen-bonded Turntrans8513.8162.900000115.8M1230 K1231 E1232 K1484 R1485M1230-G1234 PolarHBondContact O-N 2.9Å; K1231-G1234 PolarHBondContact O-N 3.07Å; E1232-G1234 PolarHBondContact O-N 2.87Å; E1232-G1234 VanDerWaalsContact O-N 3.07Å; G1234-K1484 CarbonylContact O-C 3.57Å; G1234-K1484 WeakPolarHBondContact O-CA 3.27Å; G1234-R1485 PolarHBondContact O-N 3.36Å
1235D81Confident85.1Confident10 Ų1020 Ų205%0.0539%0.092CC..  trans-82.5138.1167.4-71.7-37000110.9S395 M1230 K1231 K1484S395-D1235 WeakPolarHBondContact OG-CA 3.23Å; S395-D1235 WeakPolarHBondContact OG-CB 3.41Å; S395-D1235 PolarHBondContact OG-OD1 3.32Å; M1230-D1235 PolarHBondContact O-N 3.04Å; K1231-D1235 WeakPolarHBondContact CA-O 2.94Å; D1235-K1484 VanDerWaalsContact OD1-CE 3.3Å; D1235-K1484 WeakPolarHBondContact OD1-CE 3.18Å; D1235-K1484 IonicContact OD1-NZ 2.71Å; D1235-K1484 PolarHBondContact OD1-NZ 2.55Å; D1235-K1484 IonicContact OD2-NZ 2.74Å; D1235-K1484 PolarHBondContact OD2-NZ 3.36Å
1236T84.1Confident84.3Confident8 Ų816.4 Ų16.45%0.0498%0.075CC..  trans-87.2124.1168.644.40000109.1T393 L394 S395 S396 D1256T393-T1236 PolarHBondContact O-OG1 3.43Å; L394-T1236 WeakPolarHBondContact CA-OG1 3.42Å; S395-T1236 WeakPolarHBondContact CB-OG1 3.42Å; S395-T1236 PolarHBondContact N-O 3.34Å; S395-T1236 PolarHBondContact N-OG1 2.92Å; S395-T1236 PolarHBondContact OG-N 2.8Å; S395-T1236 PolarHBondContact OG-O 3.49Å; S395-T1236 PolarHBondContact OG-OG1 2.99Å; S395-T1236 VanDerWaalsContact OG-OG1 3.14Å; S396-T1236 PolarHBondContact N-O 3.44Å; S396-T1236 VanDerWaalsContact N-O 3.12Å; S396-T1236 PolarHBondContact OG-O 2.7Å; T1236-D1256 WeakPolarHBondContact CA-OD2 3.39Å
1237V87.3Confident83.5Confident0 Ų018.9 Ų18.90%09%0.088CC..EExtended strand (participates in β ladder)trans-115.3116.9-168.4-1760000111.6C398 I1227 M1230 K1231 D1256 I1257C398-V1237 HydrophobicContact CB-CG1 4.24Å; I1227-V1237 HydrophobicContact CG2-CG1 4.41Å; M1230-V1237 HydrophobicContact CB-CG2 3.85Å; M1230-V1237 HydrophobicContact CE-CG2 4.32Å; K1231-V1237 HydrophobicContact CD-CG2 4.47Å; K1231-V1237 HydrophobicContact CG-CB 4.34Å; K1231-V1237 HydrophobicContact CG-CG2 3.8Å; V1237-D1256 PolarHBondContact N-OD2 2.81Å; V1237-D1256 WeakPolarHBondContact O-CB 3.28Å; V1237-D1256 PolarHBondContact O-N 3.4Å; V1237-I1257 PolarHBondContact O-N 3.26Å
1238C89.4Confident83.2Confident0 Ų019 Ų190%09%0.089CC..EExtended strand (participates in β ladder)trans-96.6129.3166.1179.30000109.8L394 S396 C398 I1257L394-C1238 HydrophobicContact CD1-CB 3.45Å; L394-C1238 VanDerWaalsContact CD1-CB 3.45Å; L394-C1238 HydrophobicContact CD2-CB 3.87Å; L394-C1238 HydrophobicContact CG-CB 4.31Å; S396-C1238 PolarHBondContact O-N 3.3Å; C398-C1238 PolarHBondContact N-O 2.92Å; C1238-I1257 CarbonylContact C-O 3.59Å; C1238-I1257 VanDerWaalsContact CA-O 3.27Å; C1238-I1257 WeakPolarHBondContact CA-O 3.41Å; C1238-I1257 HydrophobicContact CB-CB 4.08Å; C1238-I1257 HydrophobicContact CB-CD1 4.45Å
1239L90.3Very high82.7Confident1 Ų116.3 Ų16.31%0.0058%0.075CC..EExtended strand (participates in β ladder)trans-105.4131.6179.3-158.873.5000111.4C398 V400 I1227 L1251 F1252 I1257 I1259C398-L1239 HydrophobicContact CB-CD1 3.71Å; C398-L1239 CarbonylContact O-C 3.55Å; C398-L1239 WeakPolarHBondContact O-CA 3.48Å; V400-L1239 HydrophobicContact CG2-CD1 3.49Å; V400-L1239 VanDerWaalsContact CG2-CD1 3.49Å; V400-L1239 HydrophobicContact CG2-CD2 4.12Å; V400-L1239 HydrophobicContact CG2-CG 3.9Å; I1227-L1239 HydrophobicContact CD1-CD1 3.66Å; I1227-L1239 HydrophobicContact CD1-CD2 4.14Å; I1227-L1239 HydrophobicContact CG1-CD1 4.47Å; L1239-L1251 VanDerWaalsContact CD2-C 3.49Å; L1239-L1251 HydrophobicContact CD2-CB 3.41Å; L1239-L1251 VanDerWaalsContact CD2-CB 3.41Å; L1239-F1252 HydrophobicContact CB-CD1 4.34Å; L1239-F1252 HydrophobicContact CD2-CD1 3.95Å; L1239-F1252 HydrophobicContact CD2-CE1 4.45Å; L1239-F1252 HydrophobicContact CG-CD1 4.4Å; L1239-I1257 PolarHBondContact N-O 2.75Å; L1239-I1259 PolarHBondContact O-N 2.91Å
1240I89.9Confident82.1Confident0 Ų019.2 Ų19.20%09%0.093CC..EExtended strand (participates in β ladder)trans-117.1130.4177.6-55.3-173.6000108.7V397 C398 C399 V400 V405 I1259 V1261 F1340 V1342V397-I1240 HydrophobicContact CG1-CD1 3.44Å; V397-I1240 VanDerWaalsContact CG1-CD1 3.44Å; V397-I1240 HydrophobicContact CG1-CG1 4.11Å; C398-I1240 PolarHBondContact O-N 3.32Å; C399-I1240 WeakPolarHBondContact CA-O 3.43Å; V400-I1240 PolarHBondContact N-O 3.18Å; V405-I1240 HydrophobicContact CG1-CG2 4.1Å; I1240-I1259 HydrophobicContact CG1-CB 4.45Å; I1240-V1261 HydrophobicContact CG2-CG2 3.55Å; I1240-F1340 HydrophobicContact CD1-CE2 4.3Å; I1240-F1340 HydrophobicContact CD1-CZ 3.82Å; I1240-F1340 HydrophobicContact CG2-CE2 4.45Å; I1240-V1342 HydrophobicContact CD1-CG1 4.26Å; I1240-V1342 HydrophobicContact CD1-CG2 4.28Å
1241G86.8Confident81.8Confident0 Ų019.2 Ų19.20%09%0.093CC..EExtended strand (participates in β ladder)trans-162.7163.6179.100000113.2N401 C1243 I1259 V1261N401-G1241 WeakPolarHBondContact OD1-CA 3.34Å; G1241-C1243 PolarHBondContact O-N 3.07Å; G1241-I1259 PolarHBondContact N-O 2.78Å; G1241-V1261 PolarHBondContact O-N 3.35Å
1242S83.7Confident81.6Confident0 Ų017.8 Ų17.80%09%0.086CC..EExtended strand (participates in β ladder)trans-55.2132.1172.3177.50000110G136 N401 Y1244 N1248 V1261G136-S1242 WeakPolarHBondContact O-CB 3.45Å; G136-S1242 PolarHBondContact O-OG 2.64Å; N401-S1242 PolarHBondContact OD1-N 3.47Å; S1242-Y1244 PolarHBondContact O-N 3.08Å; S1242-Y1244 PolarHBondContact OG-N 2.67Å; S1242-Y1244 VanDerWaalsContact OG-N 3.14Å; S1242-N1248 PolarHBondContact N-ND2 3.34Å; S1242-N1248 PolarHBondContact O-ND2 3.19Å; S1242-V1261 CarbonylContact C-O 3.55Å; S1242-V1261 WeakPolarHBondContact CA-O 3.22Å
1243C79.7Confident81.3Confident6 Ų616.6 Ų16.64%0.0418%0.081CC..THydrogen-bonded Turntrans-64.2-32.1170.864.90000111.1G1241 S1245 A1260 V1261 I1325 L1332G1241-C1243 PolarHBondContact O-N 3.07Å; C1243-S1245 VanDerWaalsContact C-N 3.34Å; C1243-S1245 PolarHBondContact O-N 2.83Å; C1243-A1260 HydrophobicContact CB-CB 4.11Å; C1243-V1261 PolarHBondContact N-O 2.75Å; C1243-V1261 PolarHBondContact SG-O 3.17Å; C1243-I1325 HydrophobicContact CB-CD1 4.06Å; C1243-I1325 HydrophobicContact CB-CG2 4.18Å; C1243-I1325 WeakPolarHBondContact O-CD1 3.49Å; C1243-L1332 HydrophobicContact CB-CD1 3.79Å
1244Y76.1Confident81.1Confident4 Ų415 Ų152%0.0168%0.077CC..THydrogen-bonded Turntrans-81.4-2.2-173.2-56.9-54.8000115.8G136 L137 D138 S1242 K1262 P1263 L1265 F1318 A1321 A1322G136-Y1244 CarbonylContact O-C 3.54Å; L137-Y1244 HydrophobicContact CD2-CD2 3.34Å; L137-Y1244 HydrophobicContact CD2-CE2 4.12Å; L137-Y1244 HydrophobicContact CD2-CG 3.64Å; D138-Y1244 PolarHBondContact N-O 3.07Å; S1242-Y1244 PolarHBondContact O-N 3.08Å; S1242-Y1244 PolarHBondContact OG-N 2.67Å; S1242-Y1244 VanDerWaalsContact OG-N 3.14Å; Y1244-K1262 HydrophobicContact CE2-CG 4.08Å; Y1244-P1263 HydrophobicContact CD2-CG 3.71Å; Y1244-P1263 HydrophobicContact CE2-CG 4.04Å; Y1244-L1265 HydrophobicContact CE2-CD2 4.28Å; Y1244-F1318 HydrophobicContact CD1-CD1 4.48Å; Y1244-F1318 HydrophobicContact CE1-CB 4.21Å; Y1244-F1318 HydrophobicContact CE1-CD1 4.28Å; Y1244-F1318 WeakPolarHBondContact CE1-O 3.24Å; Y1244-F1318 PolarHBondContact OH-O 3.18Å; Y1244-A1321 HydrophobicContact CD1-CB 4.42Å; Y1244-A1321 HydrophobicContact CE1-CB 4.21Å; Y1244-A1322 HydrophobicContact CE1-CB 3.97Å
1245S77.6Confident81.3Confident2 Ų215.2 Ų15.21%0.0148%0.078CC..  trans-101.3112.8171.4-163.60000110.3G136 D138 C1243 I1247 N1248G136-S1245 PolarHBondContact O-N 3.23Å; D138-S1245 VanDerWaalsContact CG-CA 3.5Å; D138-S1245 WeakPolarHBondContact OD1-CA 3.4Å; D138-S1245 WeakPolarHBondContact OD1-CB 3.27Å; D138-S1245 PolarHBondContact OD1-OG 3.45Å; D138-S1245 WeakPolarHBondContact OD2-CA 3.42Å; D138-S1245 PolarHBondContact OD2-OG 3.41Å; C1243-S1245 VanDerWaalsContact C-N 3.34Å; C1243-S1245 PolarHBondContact O-N 2.83Å; S1245-I1247 PolarHBondContact O-N 3.27Å; S1245-N1248 VanDerWaalsContact O-CB 3.31Å; S1245-N1248 WeakPolarHBondContact O-CB 3.42Å; S1245-N1248 PolarHBondContact O-N 3.5Å
1246L73.1Confident81.2Confident13 Ų1315.5 Ų15.57%0.0688%0.079CC..THydrogen-bonded Turntrans-59.3-34.8-177.3-64.6171.8000111.7D138 A153 V154 F171 P221 Y225 N1248 Y1249D138-L1246 HydrophobicContact CB-CD1 4.35Å; D138-L1246 HydrophobicContact CB-CG 4.23Å; D138-L1246 WeakPolarHBondContact OD2-CB 3.48Å; D138-L1246 PolarHBondContact OD2-N 3.25Å; A153-L1246 HydrophobicContact CB-CD1 3.51Å; A153-L1246 HydrophobicContact CB-CG 4.41Å; V154-L1246 HydrophobicContact CB-CD2 4.5Å; V154-L1246 HydrophobicContact CG2-CD2 3.53Å; F171-L1246 HydrophobicContact CB-CD1 4.11Å; P221-L1246 HydrophobicContact CB-CD1 4.41Å; Y225-L1246 HydrophobicContact CD2-CD2 3.89Å; Y225-L1246 HydrophobicContact CE1-CB 4.42Å; Y225-L1246 HydrophobicContact CE2-CB 3.78Å; Y225-L1246 HydrophobicContact CE2-CD1 3.88Å; Y225-L1246 HydrophobicContact CE2-CD2 3.71Å; Y225-L1246 HydrophobicContact CE2-CG 4.01Å; L1246-N1248 PolarHBondContact O-N 3.43Å; L1246-Y1249 VanDerWaalsContact O-CB 3.29Å; L1246-Y1249 WeakPolarHBondContact O-CB 3.26Å; L1246-Y1249 PolarHBondContact O-N 3.44Å
1247I75.4Confident81Confident54 Ų5415.5 Ų15.528%0.2778%0.079SC..Hα-helixtrans-53.8-36.9176.3-61.7175.3000111.3P1220 S1245 Y1249 V1250P1220-I1247 HydrophobicContact CB-CG2 3.57Å; P1220-I1247 HydrophobicContact CG-CG2 3.55Å; S1245-I1247 PolarHBondContact O-N 3.27Å; I1247-Y1249 PolarHBondContact O-N 3.32Å; I1247-V1250 PolarHBondContact O-N 3.22Å
1248N81.7Confident80.8Confident1 Ų115.9 Ų15.91%0.0058%0.082CC..Hα-helixtrans-65.7-26.3179.4-65.8-19.9000112.7N401 S1242 S1245 L1246 V1250 L1251 F1252N401-N1248 PolarHBondContact OD1-ND2 3.28Å; S1242-N1248 PolarHBondContact N-ND2 3.34Å; S1242-N1248 PolarHBondContact O-ND2 3.19Å; S1245-N1248 VanDerWaalsContact O-CB 3.31Å; S1245-N1248 WeakPolarHBondContact O-CB 3.42Å; S1245-N1248 PolarHBondContact O-N 3.5Å; L1246-N1248 PolarHBondContact O-N 3.43Å; N1248-V1250 VanDerWaalsContact C-N 3.27Å; N1248-V1250 PolarHBondContact O-N 2.78Å; N1248-L1251 PolarHBondContact O-N 3.31Å; N1248-L1251 VanDerWaalsContact O-N 3.09Å; N1248-F1252 HydrophobicContact CB-CD2 4.2Å; N1248-F1252 HydrophobicContact CB-CE1 4.44Å; N1248-F1252 HydrophobicContact CB-CE2 3.73Å; N1248-F1252 HydrophobicContact CB-CZ 3.86Å; N1248-F1252 WeakPolarHBondContact O-CB 3.32Å; N1248-F1252 WeakPolarHBondContact O-CD2 3.35Å; N1248-F1252 VanDerWaalsContact O-CG 3.22Å; N1248-F1252 WeakPolarHBondContact O-CG 3.22Å; N1248-F1252 PolarHBondContact O-N 3.49Å
1249Y76.8Confident80.6Confident33 Ų3316.2 Ų16.213%0.1298%0.084CC..Hα-helixtrans-61.2-38.1-177.5-171.4-90.7000112.3Y225 I228 A229 L1246 I1247 L1251 Q1253 V1328 T1329Y225-Y1249 AromaticContact CD1-CD1 3.92Å; Y225-Y1249 HydrophobicContact CD1-CD1 3.92Å; Y225-Y1249 HydrophobicContact CD1-CG 4.29Å; I228-Y1249 HydrophobicContact CG2-CE1 4.39Å; A229-Y1249 HydrophobicContact CB-CE1 4.01Å; A229-Y1249 WeakPolarHBondContact CB-OH 3.31Å; L1246-Y1249 VanDerWaalsContact O-CB 3.29Å; L1246-Y1249 WeakPolarHBondContact O-CB 3.26Å; L1246-Y1249 PolarHBondContact O-N 3.44Å; I1247-Y1249 PolarHBondContact O-N 3.32Å; Y1249-L1251 VanDerWaalsContact C-N 3.35Å; Y1249-Q1253 PolarHBondContact O-N 3.44Å; Y1249-V1328 HydrophobicContact CE2-CB 4.08Å; Y1249-V1328 HydrophobicContact CE2-CG1 3.7Å; Y1249-V1328 VanDerWaalsContact OH-CG1 3.26Å; Y1249-V1328 WeakPolarHBondContact OH-CG1 3.4Å; Y1249-T1329 HydrophobicContact CD2-CG2 4.04Å; Y1249-T1329 HydrophobicContact CE2-CG2 3.88Å
1250V78.2Confident80.3Confident62 Ų6216.2 Ų16.238%0.3768%0.083SC..Hα-helixtrans-65.6-39.4176.1-175.20000111.1Y225 I1247 N1248 Q1254Y225-V1250 HydrophobicContact CE1-CG2 4.37Å; I1247-V1250 PolarHBondContact O-N 3.22Å; N1248-V1250 VanDerWaalsContact C-N 3.27Å; N1248-V1250 PolarHBondContact O-N 2.78Å; V1250-Q1254 PolarHBondContact O-N 2.86Å
1251L80.9Confident80Confident4 Ų416.2 Ų16.22%0.0218%0.083CC..Hα-helixtrans-73.7-40.3179.4-56.8175000112.1V400 V1223 L1239 N1248 Y1249 Q1253 Q1254 S1255V400-L1251 HydrophobicContact CG1-CD1 3.9Å; V400-L1251 HydrophobicContact CG2-CD1 4.48Å; V1223-L1251 HydrophobicContact CG1-CD1 4.05Å; V1223-L1251 HydrophobicContact CG1-CD2 4.35Å; L1239-L1251 VanDerWaalsContact CD2-C 3.49Å; L1239-L1251 HydrophobicContact CD2-CB 3.41Å; L1239-L1251 VanDerWaalsContact CD2-CB 3.41Å; N1248-L1251 PolarHBondContact O-N 3.31Å; N1248-L1251 VanDerWaalsContact O-N 3.09Å; Y1249-L1251 VanDerWaalsContact C-N 3.35Å; L1251-Q1253 VanDerWaalsContact C-N 3.26Å; L1251-Q1253 PolarHBondContact O-N 3.19Å; L1251-Q1254 PolarHBondContact O-N 3.37Å; L1251-S1255 PolarHBondContact O-N 3.3Å
1252F81.1Confident79.8Confident13 Ų1316.8 Ų16.86%0.0579%0.086CC..Hα-helixtrans-54.2-44.6173.1-72.5-31.6000111L1239 N1248 Q1254 S1255 A1258 A1260 T1329L1239-F1252 HydrophobicContact CB-CD1 4.34Å; L1239-F1252 HydrophobicContact CD2-CD1 3.95Å; L1239-F1252 HydrophobicContact CD2-CE1 4.45Å; L1239-F1252 HydrophobicContact CG-CD1 4.4Å; N1248-F1252 HydrophobicContact CB-CD2 4.2Å; N1248-F1252 HydrophobicContact CB-CE1 4.44Å; N1248-F1252 HydrophobicContact CB-CE2 3.73Å; N1248-F1252 HydrophobicContact CB-CZ 3.86Å; N1248-F1252 WeakPolarHBondContact O-CB 3.32Å; N1248-F1252 WeakPolarHBondContact O-CD2 3.35Å; N1248-F1252 VanDerWaalsContact O-CG 3.22Å; N1248-F1252 WeakPolarHBondContact O-CG 3.22Å; N1248-F1252 PolarHBondContact O-N 3.49Å; F1252-Q1254 VanDerWaalsContact C-N 3.28Å; F1252-Q1254 PolarHBondContact O-N 2.7Å; F1252-S1255 PolarHBondContact O-N 3.44Å; F1252-S1255 PolarHBondContact O-OG 3.49Å; F1252-A1258 HydrophobicContact CB-CB 3.48Å; F1252-A1258 VanDerWaalsContact CB-CB 3.48Å; F1252-A1258 HydrophobicContact CD1-CB 3.59Å; F1252-A1258 HydrophobicContact CG-CB 3.68Å; F1252-A1260 HydrophobicContact CE2-CB 4.08Å; F1252-A1260 HydrophobicContact CZ-CB 4.17Å; F1252-T1329 HydrophobicContact CD2-CG2 4.09Å
1253Q75.4Confident79.6Confident60 Ų6016.9 Ų16.928%0.289%0.087SC..Hα-helixtrans-64.3-27.1178-176.6177.7-89.700114.2I228 S232 Y1249 L1251I228-Q1253 PolarHBondContact O-OE1 3.08Å; I228-Q1253 VanDerWaalsContact O-OE1 3.08Å; S232-Q1253 PolarHBondContact OG-OE1 3.33Å; Y1249-Q1253 PolarHBondContact O-N 3.44Å; L1251-Q1253 VanDerWaalsContact C-N 3.26Å; L1251-Q1253 PolarHBondContact O-N 3.19Å
1254Q79.2Confident79.5Confident44 Ų4418.3 Ų18.321%0.2069%0.093CC..Hα-helixtrans-90.4-24.7-178.5-167-173.120.400113.3S1224 K1231 V1250 L1251 F1252S1224-Q1254 VanDerWaalsContact CB-OE1 3.27Å; S1224-Q1254 PolarHBondContact O-NE2 3.25Å; S1224-Q1254 PolarHBondContact O-OE1 3.2Å; S1224-Q1254 PolarHBondContact OG-NE2 2.79Å; S1224-Q1254 VanDerWaalsContact OG-NE2 3.07Å; S1224-Q1254 PolarHBondContact OG-OE1 3.05Å; K1231-Q1254 PolarHBondContact NZ-O 2.82Å; V1250-Q1254 PolarHBondContact O-N 2.86Å; L1251-Q1254 PolarHBondContact O-N 3.37Å; F1252-Q1254 VanDerWaalsContact C-N 3.28Å; F1252-Q1254 PolarHBondContact O-N 2.7Å
1255S79.2Confident79.4Confident5 Ų519.5 Ų19.54%0.03510%0.1CC..SBendtrans-60173.5174.276.30000112.9K1231 L1251 F1252 I1257K1231-S1255 VanDerWaalsContact NZ-C 3.32Å; K1231-S1255 PolarHBondContact NZ-O 3.21Å; L1251-S1255 PolarHBondContact O-N 3.3Å; F1252-S1255 PolarHBondContact O-N 3.44Å; F1252-S1255 PolarHBondContact O-OG 3.49Å; S1255-I1257 PolarHBondContact OG-N 2.63Å; S1255-I1257 PolarHBondContact OG-O 3.09Å; S1255-I1257 VanDerWaalsContact OG-O 3.09Å
1256D78.6Confident78.7Confident15 Ų1519.8 Ų19.88%0.0810%0.102CC..SBendtrans-88-22.1167.4-67.5-47.9000112.5F240 K1231 T1236 V1237 R1485F240-D1256 HydrophobicContact CE2-CB 4.48Å; F240-D1256 WeakPolarHBondContact CE2-OD1 3.29Å; F240-D1256 HydrophobicContact CZ-CB 3.96Å; F240-D1256 WeakPolarHBondContact CZ-OD1 3.26Å; K1231-D1256 WeakPolarHBondContact CE-OD1 3.11Å; K1231-D1256 IonicContact NZ-OD1 3.81Å; K1231-D1256 PolarHBondContact NZ-OD1 2.91Å; T1236-D1256 WeakPolarHBondContact CA-OD2 3.39Å; V1237-D1256 PolarHBondContact N-OD2 2.81Å; V1237-D1256 WeakPolarHBondContact O-CB 3.28Å; V1237-D1256 PolarHBondContact O-N 3.4Å; D1256-R1485 IonicContact OD1-NH1 3.04Å; D1256-R1485 PolarHBondContact OD1-NH1 2.97Å; D1256-R1485 IonicContact OD2-NH1 3.83Å
1257I81.6Confident78Confident8 Ų825.3 Ų25.34%0.04112%0.122CC..EExtended strand (participates in β ladder)trans-150.3130.3176.4-48.3174000108.5T390 L391 L394 V1237 C1238 L1239 S1255T390-I1257 WeakPolarHBondContact OG1-CD1 3.26Å; T390-I1257 VanDerWaalsContact OG1-CG1 3.23Å; T390-I1257 WeakPolarHBondContact OG1-CG1 3.4Å; L391-I1257 HydrophobicContact CB-CD1 3.79Å; L391-I1257 HydrophobicContact CD1-CD1 3.54Å; L391-I1257 HydrophobicContact CG-CD1 4.3Å; L394-I1257 HydrophobicContact CD1-CD1 4.34Å; V1237-I1257 PolarHBondContact O-N 3.26Å; C1238-I1257 CarbonylContact C-O 3.59Å; C1238-I1257 VanDerWaalsContact CA-O 3.27Å; C1238-I1257 WeakPolarHBondContact CA-O 3.41Å; C1238-I1257 HydrophobicContact CB-CB 4.08Å; C1238-I1257 HydrophobicContact CB-CD1 4.45Å; L1239-I1257 PolarHBondContact N-O 2.75Å; S1255-I1257 PolarHBondContact OG-N 2.63Å; S1255-I1257 PolarHBondContact OG-O 3.09Å; S1255-I1257 VanDerWaalsContact OG-O 3.09Å
1258A82.6Confident76.9Confident8 Ų825.3 Ų25.37%0.06613%0.127CC..EExtended strand (participates in β ladder)trans-107.8127.9172.600000111.3F1252F1252-A1258 HydrophobicContact CB-CB 3.48Å; F1252-A1258 VanDerWaalsContact CB-CB 3.48Å; F1252-A1258 HydrophobicContact CD1-CB 3.59Å; F1252-A1258 HydrophobicContact CG-CB 3.68Å
1259I84.4Confident75.5Confident8 Ų830.5 Ų30.54%0.04116%0.159CC..EExtended strand (participates in β ladder)trans-112.7102.9165.3-58175.8000106.7L1239 I1240 G1241 V1261 C1331 L1333 V1342L1239-I1259 PolarHBondContact O-N 2.91Å; I1240-I1259 HydrophobicContact CG1-CB 4.45Å; G1241-I1259 PolarHBondContact N-O 2.78Å; I1259-V1261 HydrophobicContact CG2-CG2 4.21Å; I1259-C1331 HydrophobicContact CG1-CB 4.32Å; I1259-L1333 HydrophobicContact CG2-CB 4.19Å; I1259-V1342 HydrophobicContact CD1-CG1 4.01Å
1260A83.5Confident74.7Confident0 Ų030.6 Ų30.60%017%0.165CC..EExtended strand (participates in β ladder)trans-69.2146.3166.200000108.6C1243 F1252 C1331 L1332 L1333C1243-A1260 HydrophobicContact CB-CB 4.11Å; F1252-A1260 HydrophobicContact CE2-CB 4.08Å; F1252-A1260 HydrophobicContact CZ-CB 4.17Å; A1260-C1331 WeakPolarHBondContact CB-O 3.45Å; A1260-C1331 PolarHBondContact N-O 2.98Å; A1260-L1332 HydrophobicContact CB-CD1 3.92Å; A1260-L1332 CarbonylContact O-C 3.23Å; A1260-L1332 VanDerWaalsContact O-CA 3.27Å; A1260-L1332 WeakPolarHBondContact O-CA 3.32Å; A1260-L1333 PolarHBondContact O-N 2.84Å
1261V84.2Confident73.9Confident0 Ų033.4 Ų33.40%017%0.174CC..EExtended strand (participates in β ladder)trans-131.4130.9-178.6-175.20000109.4V405 I1240 G1241 S1242 C1243 I1259 P1263 L1333 I1335V405-V1261 HydrophobicContact CG1-CB 4.26Å; V405-V1261 HydrophobicContact CG1-CG1 4.23Å; V405-V1261 HydrophobicContact CG1-CG2 4.35Å; I1240-V1261 HydrophobicContact CG2-CG2 3.55Å; G1241-V1261 PolarHBondContact O-N 3.35Å; S1242-V1261 CarbonylContact C-O 3.55Å; S1242-V1261 WeakPolarHBondContact CA-O 3.22Å; C1243-V1261 PolarHBondContact N-O 2.75Å; C1243-V1261 PolarHBondContact SG-O 3.17Å; I1259-V1261 HydrophobicContact CG2-CG2 4.21Å; V1261-P1263 WeakPolarHBondContact O-CD 3.23Å; V1261-L1333 CarbonylContact C-O 3.57Å; V1261-L1333 WeakPolarHBondContact CA-O 3.19Å; V1261-L1333 HydrophobicContact CG2-CB 4.36Å; V1261-I1335 HydrophobicContact CG1-CD1 3.43Å; V1261-I1335 VanDerWaalsContact CG1-CD1 3.43Å; V1261-I1335 HydrophobicContact CG1-CG1 3.63Å
1262K83Confident72.7Confident13 Ų1333.7 Ų33.76%0.05717%0.174CC..EExtended strand (participates in β ladder)trans-73.7111.1164-175.9-179.6174.9-171.90107.9Y1244 D1319 L1333Y1244-K1262 HydrophobicContact CE2-CG 4.08Å; K1262-D1319 IonicContact NZ-OD1 3.16Å; K1262-D1319 PolarHBondContact NZ-OD1 3.5Å; K1262-L1333 PolarHBondContact N-O 2.91Å
1263P80.2Confident71.4Confident2 Ų234.6 Ų34.61%0.01318%0.184CC..PPolyproline II helixtrans-67.8154.4176.129.8-36.2000111V135 G404 V405 Y1244 V1261 L1265V135-P1263 HydrophobicContact CG1-CB 4.27Å; V135-P1263 HydrophobicContact CG1-CG 4.16Å; G404-P1263 VanDerWaalsContact O-CA 3.29Å; G404-P1263 WeakPolarHBondContact O-CA 3.34Å; V405-P1263 HydrophobicContact CG2-CB 4.05Å; Y1244-P1263 HydrophobicContact CD2-CG 3.71Å; Y1244-P1263 HydrophobicContact CE2-CG 4.04Å; V1261-P1263 WeakPolarHBondContact O-CD 3.23Å; P1263-L1265 PolarHBondContact O-N 2.84Å
1264I77.2Confident69.8Low35 Ų3537.1 Ų37.118%0.17920%0.2CC..PPolyproline II helixtrans-60.6122.9166-57.7173000107.7G404 S409 F528 I1335G404-I1264 PolarHBondContact O-N 3.3Å; S409-I1264 VanDerWaalsContact CB-O 3.26Å; S409-I1264 WeakPolarHBondContact CB-O 3.45Å; F528-I1264 HydrophobicContact CE1-CD1 4.48Å; F528-I1264 HydrophobicContact CZ-CD1 3.99Å; I1264-I1335 HydrophobicContact CD1-CG2 3.9Å; I1264-I1335 HydrophobicContact CG1-CG2 3.83Å
1265L72.7Confident67.8Low30 Ų3039.7 Ų39.716%0.15722%0.219CC..PPolyproline II helixtrans-82.7145.8178.4-64.6175.8000110.9L137 Y1244 P1263 F1318L137-L1265 HydrophobicContact CD1-CD2 4.02Å; L137-L1265 HydrophobicContact CD2-CD2 3.89Å; L137-L1265 HydrophobicContact CG-CD2 4.48Å; Y1244-L1265 HydrophobicContact CE2-CD2 4.28Å; P1263-L1265 PolarHBondContact O-N 2.84Å; L1265-F1318 HydrophobicContact CD1-CB 4.41Å
1266P63.9Low65.3Low7 Ų749.5 Ų49.55%0.04526%0.261CS..PPolyproline II helixtrans-77123.1175.429.1-32.4000111.6L130 V135 L410 S1268L130-P1266 HydrophobicContact CD1-CG 3.73Å; L130-P1266 HydrophobicContact CD2-CB 4.43Å; L130-P1266 HydrophobicContact CD2-CG 3.65Å; L130-P1266 HydrophobicContact CG-CG 4.35Å; V135-P1266 HydrophobicContact CG2-CG 3.96Å; L410-P1266 HydrophobicContact CD1-CB 3.94Å; L410-P1266 HydrophobicContact CD2-CB 4.05Å; L410-P1266 HydrophobicContact CG-CB 3.89Å; P1266-S1268 PolarHBondContact O-N 3.35Å
1267Y58.6Low63Low129 Ų12955 Ų5551%0.50629%0.289SS..  trans-88.597.6175.2-60.2-89.8000110.8F532 T1269 E1336F532-Y1267 WeakPolarHBondContact CZ-O 3.42Å; Y1267-T1269 VanDerWaalsContact C-N 3.27Å; Y1267-T1269 PolarHBondContact O-N 3.42Å; Y1267-E1336 PolarHBondContact OH-OE1 2.99Å
1268S51Low60.2Low54 Ų5462 Ų6238%0.37833%0.325SS..  trans-82.562.717850.40000113.1C126 P1266C126-S1268 PolarHBondContact O-OG 2.68Å; P1266-S1268 PolarHBondContact O-N 3.35Å
1269T53.3Low57.5Low110 Ų11067.8 Ų67.868%0.67536%0.36SS*.  trans-94.9100.1170.739.10000111Y1267 Q1271Y1267-T1269 VanDerWaalsContact C-N 3.27Å; Y1267-T1269 PolarHBondContact O-N 3.42Å; T1269-Q1271 PolarHBondContact O-N 3.43Å
1270C60.8Low54.5Low36 Ų3672 Ų7224%0.24339%0.39CS..  trans-77116.6172.6-179.90000110.5C596 F1272 A1273C596-C1270 VanDerWaalsContact SG-CA 3.58Å; C596-C1270 WeakPolarHBondContact SG-CB 3.32Å; C596-C1270 PolarHBondContact SG-SG 2.79Å; C1270-F1272 PolarHBondContact O-N 3.26Å; C1270-A1273 HydrophobicContact CB-CB 3.75Å; C1270-A1273 PolarHBondContact O-N 3.11Å
1271Q60.7Low51.6Low121 Ų12178.6 Ų78.657%0.56543%0.425SS*.THydrogen-bonded Turntrans-56.5-39.1176.9-68173.1-37.700112.4T1269T1269-Q1271 PolarHBondContact O-N 3.43Å
1272F55.2Low48.7Very low9 Ų985.2 Ų85.24%0.03946%0.456CS..THydrogen-bonded Turntrans-92.45.5-172.1-60.9-105.3000113.9L556 C560 C598 F606 R607 C1270L556-F1272 HydrophobicContact CD1-CD1 4.34Å; L556-F1272 HydrophobicContact CD1-CE1 4.23Å; L556-F1272 HydrophobicContact CD2-CB 4.14Å; L556-F1272 HydrophobicContact CD2-CD1 3.75Å; L556-F1272 HydrophobicContact CD2-CD2 3.82Å; L556-F1272 HydrophobicContact CD2-CE1 4.03Å; L556-F1272 HydrophobicContact CD2-CE2 4.13Å; L556-F1272 HydrophobicContact CD2-CG 3.64Å; L556-F1272 HydrophobicContact CD2-CZ 4.23Å; C560-F1272 HydrophobicContact CB-CB 4.43Å; C598-F1272 HydrophobicContact CB-CD2 3.78Å; C598-F1272 HydrophobicContact CB-CE2 4.13Å; C598-F1272 WeakPolarHBondContact O-CE2 3.48Å; F606-F1272 HydrophobicContact CB-CE1 4.29Å; R607-F1272 VanDerWaalsContact C-CE1 3.44Å; R607-F1272 WeakPolarHBondContact O-CE1 3.44Å; C1270-F1272 PolarHBondContact O-N 3.26Å
1273A54.4Low45.9Very low32 Ų3289.6 Ų89.626%0.26449%0.488SS..  trans-84.6115.8-178.300000111.2C1270 T1275C1270-A1273 HydrophobicContact CB-CB 3.75Å; C1270-A1273 PolarHBondContact O-N 3.11Å; A1273-T1275 PolarHBondContact O-N 2.96Å; A1273-T1275 PolarHBondContact O-OG1 3.19Å
1274N40.9Very low43.4Very low113 Ų11396.2 Ų96.260%0.60453%0.528SS*.  trans-69.761.6172.9-74.6-21000112.6N612 K1276N612-N1274 PolarHBondContact OD1-ND2 3.45Å; N1274-K1276 PolarHBondContact O-N 2.89Å; N1274-K1276 VanDerWaalsContact O-N 3.15Å
1275T38.6Very low40.8Very low98 Ų98102.2 Ų102.260%0.60156%0.561SS**  trans-8389.817436.50000111.3A1273 L1277A1273-T1275 PolarHBondContact O-N 2.96Å; A1273-T1275 PolarHBondContact O-OG1 3.19Å; T1275-L1277 HydrophobicContact CG2-CD1 4.13Å; T1275-L1277 PolarHBondContact O-N 3.11Å
1276K26.7Very low38.5Very low211 Ų211107.7 Ų107.792%0.91759%0.589SS**  trans-65.554.7142.9-77.8-173.7174.6179.50110.3N1274N1274-K1276 PolarHBondContact O-N 2.89Å; N1274-K1276 VanDerWaalsContact O-N 3.15Å
1277L28.6Very low36.6Very low130 Ų130114.3 Ų114.368%0.68162%0.624SS**  trans-84.2115157.5-100.3163.4000105.5T1275 V1279T1275-L1277 HydrophobicContact CG2-CD1 4.13Å; T1275-L1277 PolarHBondContact O-N 3.11Å; L1277-V1279 VanDerWaalsContact C-N 3.32Å; L1277-V1279 PolarHBondContact O-N 2.67Å
1278I24.8Very low34.9Very low156 Ų156115.2 Ų115.280%0.864%0.643SS**  trans-70.494.1179.9-60.5174.7000107.6S1280I1278-S1280 PolarHBondContact O-N 3.48Å
1279V24.5Very low33.6Very low130 Ų130117 Ų11779%0.78866%0.656SS**  trans-72.385.9163.5-178.70000106.6L1277 N1281L1277-V1279 VanDerWaalsContact C-N 3.32Å; L1277-V1279 PolarHBondContact O-N 2.67Å; V1279-N1281 PolarHBondContact O-N 3.47Å
1280S21.9Very low32.2Very low96 Ų96119.1 Ų119.167%0.67166%0.662SS**  trans-70.896.5175.856.40000109.9I1278I1278-S1280 PolarHBondContact O-N 3.48Å
1281N22.2Very low30.5Very low138 Ų138125.8 Ų125.874%0.73870%0.695SS**SBendtrans90.5141.5163.1-59.7-4000119.5V1279V1279-N1281 PolarHBondContact O-N 3.47Å
1282Q24.6Very low28.7Very low139 Ų139129.3 Ų129.365%0.6571%0.712SS**  trans73.279159.8-74.8167.3-28.500119.3E1309Q1282-E1309 PolarHBondContact NE2-OE1 2.88Å
1283S24.2Very low27.2Very low105 Ų105134 Ų13473%0.73475%0.745SS**  61.296.712363.50000120.1
1284V26.6Very low25.7Very low142 Ų142141.9 Ų141.986%0.86178%0.777SS**  trans-13976.7142.9-171.60000109.6
1285D22Very low24.9Very low160 Ų160139.9 Ų139.986%0.85678%0.782SS**  trans-91.292.9161.8-82.5-44.8000108.9
1286L24.4Very low24.2Very low145 Ų145145.4 Ų145.476%0.75980%0.799SS**  trans-164.5151.2162.7-138.873.5000113.2
1287L24.6Very low23.9Very low147 Ų147139.5 Ų139.577%0.7778%0.784SS**  trans8052.5163.6-53176.9000119.5
1288T22.6Very low23.6Very low147 Ų147139.4 Ų139.490%0.90279%0.792SS**  trans-129.844.1155.347.10000114.2
1289S23.7Very low23.6Very low93 Ų93136.8 Ų136.865%0.6579%0.788SS**  trans-174.7151.216541.10000108.4
1290D25.2Very low23.6Very low153 Ų153139.7 Ų139.782%0.81879%0.793SS**  cis-142.8156.9-21.2-91.3-42.3000108.6
1291L23.9Very low23.8Very low177 Ų177144.1 Ų144.193%0.92780%0.8SS**  trans-137.965.5170.8-100.4174.8000111.1
1292Q24.2Very low23.8Very low195 Ų195144.8 Ų144.891%0.91180%0.804SS**  trans-118.8159153.1-72.4-164.5-14.500110.1
1293S23.1Very low23.9Very low107 Ų107145.7 Ų145.775%0.74881%0.812SS**  trans-84.2163.4-155.448.40000115.6
1294E23.3Very low23.8Very low198 Ų198147.4 Ų147.493%0.92582%0.818SS**  trans80.8130.5165.9-44.5-149.2144.400115.1
1295G22.8Very low23.7Very low70 Ų70144.2 Ų144.272%0.72280%0.803SS**  trans-113.2175.5-161.600000114.3
1296F24Very low23.8Very low215 Ų215143.3 Ų143.394%0.94380%0.803SS**  trans-144.5173.9147.8-121.1-85.1000110.5
1297S21Very low23.9Very low87 Ų87144.5 Ų144.561%0.60880%0.804SS**  trans-107156.4-156.257.10000116
1298C20.9Very low23.9Very low127 Ų127147.1 Ų147.186%0.85881%0.812SS**  trans69111.4153.2-62.90000119.8
1299S25.1Very low24.1Very low101 Ų101146.4 Ų146.471%0.70680%0.799SS**  -162.6107.8118.8-169.80000110.7
1300E24.6Very low24.2Very low192 Ų192147 Ų14790%0.89780%0.803SS**  trans-73.8128.3165-67.1179.8121.400109.6
1301K26.6Very low24.3Very low188 Ų188146.7 Ų146.782%0.81780%0.802SS**  trans-137.1120.1158.5-74.4-166.7176.9179.50110.5
1302N22.3Very low24.9Very low153 Ų153142.4 Ų142.482%0.81878%0.783SS**  trans-63.4137.3173.2-64-53.6000110.4
1303L25.7Very low25.8Very low157 Ų157136.3 Ų136.382%0.82276%0.759SS**  trans-121.381.2165-157.679.3000110.5S1305L1303-S1305 PolarHBondContact O-N 3.11Å
1304T22.2Very low27Very low141 Ų141135.9 Ų135.987%0.86575%0.748SS**  trans-80.488.8168.848.70000109.8
1305S26Very low28.5Very low76 Ų76128.8 Ų128.853%0.53171%0.714SS.*  trans-128.5107.2171.256.10000110.4L1303 H1307L1303-S1305 PolarHBondContact O-N 3.11Å; S1305-H1307 PolarHBondContact O-N 3.09Å
1306T23.4Very low30.5Very low140 Ų140128.8 Ų128.886%0.85970%0.698SS**  trans-77101-176.647.80000112.1
1307H26.2Very low32.5Very low170 Ų170118.6 Ų118.679%0.78765%0.653SS**  trans-111116.5158.4-81.8-83000109.9S1305 E1309S1305-H1307 PolarHBondContact O-N 3.09Å; H1307-E1309 VanDerWaalsContact C-N 3.28Å; H1307-E1309 PolarHBondContact O-N 2.92Å; H1307-E1309 VanDerWaalsContact O-N 3.12Å
1308Q24.7Very low35Very low202 Ų202114.8 Ų114.894%0.94463%0.626SS**  trans-82.472.7171.9-68-179.4-71.400109.8S1310Q1308-S1310 PolarHBondContact O-N 3.34Å
1309E26Very low37.3Very low132 Ų132109.8 Ų109.862%0.61759%0.591SS**  trans-71.9124.1162.7-72-159.7123.700109.1Q1282 H1307 N1311Q1282-E1309 PolarHBondContact NE2-OE1 2.88Å; H1307-E1309 VanDerWaalsContact C-N 3.28Å; H1307-E1309 PolarHBondContact O-N 2.92Å; H1307-E1309 VanDerWaalsContact O-N 3.12Å; E1309-N1311 PolarHBondContact O-N 2.82Å; E1309-N1311 VanDerWaalsContact O-N 3.08Å
1310S26.7Very low39.5Very low106 Ų106105.6 Ų105.674%0.74156%0.56SS**  trans-77.794.9-178.654.20000109.9Q1308 T1312Q1308-S1310 PolarHBondContact O-N 3.34Å; S1310-T1312 VanDerWaalsContact C-N 3.3Å; S1310-T1312 PolarHBondContact O-N 3.28Å
1311N28.4Very low41.7Very low147 Ų14796.4 Ų96.479%0.78652%0.517SS*.  trans-60.781.6178.4-77.9-35.3000113.3E1309 T1313E1309-N1311 PolarHBondContact O-N 2.82Å; E1309-N1311 VanDerWaalsContact O-N 3.08Å; N1311-T1313 PolarHBondContact O-N 2.82Å
1312T35.1Very low43.9Very low86 Ų8687.5 Ų87.553%0.52848%0.479SS..  trans-75.295162.450.20000108.6M120 S1310 N1314M120-T1312 HydrophobicContact CE-CG2 4.05Å; S1310-T1312 VanDerWaalsContact C-N 3.3Å; S1310-T1312 PolarHBondContact O-N 3.28Å; T1312-N1314 PolarHBondContact O-N 3.42Å
1313T43.4Very low46.1Very low68 Ų6882.2 Ų82.242%0.41745%0.449SS..  trans-66.898.9178.754.70000110.2N1311 F1315N1311-T1313 PolarHBondContact O-N 2.82Å; T1313-F1315 WeakPolarHBondContact O-CD2 3.45Å; T1313-F1315 VanDerWaalsContact O-CE2 3.29Å; T1313-F1315 WeakPolarHBondContact O-CE2 3.24Å; T1313-F1315 PolarHBondContact O-N 3.01Å
1314N48.3Very low48.1Very low97 Ų9775 Ų7552%0.51941%0.411SS..PPolyproline II helixtrans-59.5129.2174.5-73-27.9000110.3T1312T1312-N1314 PolarHBondContact O-N 3.42Å
1315F54.6Low50.4Low49 Ų4969.2 Ų69.222%0.21538%0.375CS..PPolyproline II helixtrans-102127.3-176.6-75.2-85.7000111M120 L334 T1313 I1320M120-F1315 PolarHBondContact O-N 3.27Å; L334-F1315 HydrophobicContact CD2-CZ 4.49Å; T1313-F1315 WeakPolarHBondContact O-CD2 3.45Å; T1313-F1315 VanDerWaalsContact O-CE2 3.29Å; T1313-F1315 WeakPolarHBondContact O-CE2 3.24Å; T1313-F1315 PolarHBondContact O-N 3.01Å; F1315-I1320 HydrophobicContact CB-CD1 4.03Å; F1315-I1320 HydrophobicContact CB-CG1 4.17Å
1316N64.8Low52.4Low71 Ų7169.1 Ų69.138%0.3837%0.366SS..PPolyproline II helixtrans-65.9141.9173.9-68.2-54.3000111.3F1318 D1319 I1320N1316-F1318 PolarHBondContact O-N 2.79Å; N1316-F1318 VanDerWaalsContact O-N 3.14Å; N1316-D1319 PolarHBondContact ND2-OD2 3.02Å; N1316-D1319 PolarHBondContact O-N 3.35Å; N1316-I1320 PolarHBondContact O-N 3.12Å; N1316-I1320 VanDerWaalsContact O-N 3.07Å
1317T67.3Low54.3Low0 Ų064.1 Ų64.10%033%0.334CS..Hα-helixtrans-54.6-32.6174.950.50000113L121 Y123 L151 L155 A1321L121-T1317 HydrophobicContact CD2-CG2 4.34Å; Y123-T1317 HydrophobicContact CD1-CG2 4.3Å; L151-T1317 HydrophobicContact CD2-CG2 4.16Å; L155-T1317 WeakPolarHBondContact CD1-O 3.48Å; T1317-A1321 WeakPolarHBondContact O-CB 3.25Å; T1317-A1321 PolarHBondContact O-N 3.11Å
1318F72.1Confident56Low7 Ų757.1 Ų57.13%0.03130%0.303CS..Hα-helixtrans-75.6-30.6177.6-66.3-91.1000113.3L127 L137 T139 V150 P152 Y1244 L1265 N1316 A1322L127-F1318 HydrophobicContact CD1-CD2 4.01Å; L127-F1318 HydrophobicContact CD1-CE2 3.22Å; L127-F1318 HydrophobicContact CD1-CZ 3.55Å; L137-F1318 HydrophobicContact CD2-CD1 4.01Å; L137-F1318 HydrophobicContact CD2-CE1 3.87Å; T139-F1318 HydrophobicContact CG2-CE1 3.82Å; T139-F1318 HydrophobicContact CG2-CZ 3.91Å; V150-F1318 HydrophobicContact CG1-CZ 4.47Å; P152-F1318 HydrophobicContact CG-CD1 3.74Å; P152-F1318 HydrophobicContact CG-CE1 3.59Å; P152-F1318 HydrophobicContact CG-CE2 4.45Å; P152-F1318 HydrophobicContact CG-CG 4.24Å; P152-F1318 HydrophobicContact CG-CZ 3.97Å; Y1244-F1318 HydrophobicContact CD1-CD1 4.48Å; Y1244-F1318 HydrophobicContact CE1-CB 4.21Å; Y1244-F1318 HydrophobicContact CE1-CD1 4.28Å; Y1244-F1318 WeakPolarHBondContact CE1-O 3.24Å; Y1244-F1318 PolarHBondContact OH-O 3.18Å; L1265-F1318 HydrophobicContact CD1-CB 4.41Å; N1316-F1318 PolarHBondContact O-N 2.79Å; N1316-F1318 VanDerWaalsContact O-N 3.14Å; F1318-A1322 WeakPolarHBondContact O-CB 3.03Å; F1318-A1322 PolarHBondContact O-N 3.1Å; F1318-A1322 VanDerWaalsContact O-N 3.08Å
1319D70.3Confident57.9Low23 Ų2347.7 Ų47.712%0.12326%0.259CS..Hα-helixtrans-73.9-38.6172.4-68.3-53.7000110.4F332 K1262 N1316 A1322 H1323F332-D1319 HydrophobicContact CE1-CB 3.86Å; F332-D1319 HydrophobicContact CZ-CB 3.98Å; K1262-D1319 IonicContact NZ-OD1 3.16Å; K1262-D1319 PolarHBondContact NZ-OD1 3.5Å; N1316-D1319 PolarHBondContact ND2-OD2 3.02Å; N1316-D1319 PolarHBondContact O-N 3.35Å; D1319-A1322 PolarHBondContact O-N 3.25Å; D1319-H1323 WeakPolarHBondContact O-CB 3.47Å; D1319-H1323 PolarHBondContact O-N 3.17Å
1320I70.2Confident59.6Low12 Ų1244.2 Ų44.26%0.06225%0.248CC..Hα-helixtrans-58.1-48.8171.3-69.9163.6000111.1F112 M116 L121 L155 F1315 N1316 H1323 L1324F112-I1320 HydrophobicContact CE1-CG2 4.29Å; F112-I1320 HydrophobicContact CZ-CG1 4.38Å; F112-I1320 HydrophobicContact CZ-CG2 3.98Å; M116-I1320 HydrophobicContact CE-CD1 3.71Å; M116-I1320 HydrophobicContact CE-CG1 4.41Å; M116-I1320 HydrophobicContact SD-CD1 4.35Å; L121-I1320 HydrophobicContact CD2-CD1 3.69Å; L155-I1320 HydrophobicContact CD1-CG2 4.13Å; L155-I1320 HydrophobicContact CD2-CG2 4Å; F1315-I1320 HydrophobicContact CB-CD1 4.03Å; F1315-I1320 HydrophobicContact CB-CG1 4.17Å; N1316-I1320 PolarHBondContact O-N 3.12Å; N1316-I1320 VanDerWaalsContact O-N 3.07Å; I1320-H1323 PolarHBondContact O-N 3.45Å; I1320-L1324 PolarHBondContact O-N 2.95Å
1321A71.7Confident61.6Low0 Ų039.4 Ų39.40%021%0.214CC..Hα-helixtrans-61.4-46.9178.200000111.7P152 V154 L155 Y1244 T1317 H1323 L1324 I1325P152-A1321 HydrophobicContact CB-CB 3.92Å; P152-A1321 HydrophobicContact CG-CB 3.94Å; V154-A1321 HydrophobicContact CB-CB 4.47Å; L155-A1321 HydrophobicContact CD1-CB 4.15Å; L155-A1321 HydrophobicContact CG-CB 4.24Å; Y1244-A1321 HydrophobicContact CD1-CB 4.42Å; Y1244-A1321 HydrophobicContact CE1-CB 4.21Å; T1317-A1321 WeakPolarHBondContact O-CB 3.25Å; T1317-A1321 PolarHBondContact O-N 3.11Å; A1321-H1323 VanDerWaalsContact C-N 3.27Å; A1321-H1323 PolarHBondContact O-N 3.12Å; A1321-L1324 PolarHBondContact O-N 2.92Å; A1321-I1325 WeakPolarHBondContact O-CD1 3.48Å; A1321-I1325 WeakPolarHBondContact O-CG1 3.38Å; A1321-I1325 PolarHBondContact O-N 3.46Å
1322A71.9Confident63.8Low1 Ų133.2 Ų33.21%0.00818%0.181CC..Hα-helixtrans-60.4-37.1176.300000112.2Y1244 F1318 D1319 I1325 H1326 L1332Y1244-A1322 HydrophobicContact CE1-CB 3.97Å; F1318-A1322 WeakPolarHBondContact O-CB 3.03Å; F1318-A1322 PolarHBondContact O-N 3.1Å; F1318-A1322 VanDerWaalsContact O-N 3.08Å; D1319-A1322 PolarHBondContact O-N 3.25Å; A1322-I1325 PolarHBondContact O-N 2.74Å; A1322-H1326 WeakPolarHBondContact O-CB 3.27Å; A1322-H1326 PolarHBondContact O-N 2.81Å; A1322-L1332 HydrophobicContact CB-CD2 4.16Å
1323H68.6Low65.7Low41 Ų4130 Ų3019%0.1916%0.16CC..Hα-helixtrans-67.2-39.6176.3-157.785.6000112.6D1319 I1320 A1321 I1325 H1326 L1327D1319-H1323 WeakPolarHBondContact O-CB 3.47Å; D1319-H1323 PolarHBondContact O-N 3.17Å; I1320-H1323 PolarHBondContact O-N 3.45Å; A1321-H1323 VanDerWaalsContact C-N 3.27Å; A1321-H1323 PolarHBondContact O-N 3.12Å; H1323-I1325 VanDerWaalsContact C-N 3.35Å; H1323-H1326 WeakPolarHBondContact O-CB 3.45Å; H1323-H1326 PolarHBondContact O-N 3.17Å; H1323-L1327 PolarHBondContact O-N 2.91Å
1324L67.9Low67.1Low7 Ų727.1 Ų27.14%0.03714%0.142CC..Hα-helixtrans-63.2-40.6172.7-70.1177.2000111.9F109 F112 F113 V154 L155 L222 I1320 A1321 L1327F109-L1324 HydrophobicContact CD2-CD2 4.32Å; F109-L1324 HydrophobicContact CE2-CD2 4.15Å; F112-L1324 HydrophobicContact CD1-CD2 4.15Å; F112-L1324 HydrophobicContact CE1-CD2 4.14Å; F113-L1324 HydrophobicContact CE2-CD2 4.16Å; F113-L1324 HydrophobicContact CZ-CD2 4.39Å; V154-L1324 HydrophobicContact CG1-CB 4.39Å; V154-L1324 HydrophobicContact CG1-CD1 4.36Å; L155-L1324 HydrophobicContact CD2-CD1 3.43Å; L155-L1324 VanDerWaalsContact CD2-CD1 3.43Å; L222-L1324 HydrophobicContact CD1-CD1 3.94Å; I1320-L1324 PolarHBondContact O-N 2.95Å; A1321-L1324 PolarHBondContact O-N 2.92Å; L1324-L1327 HydrophobicContact CD2-CD1 4.28Å; L1324-L1327 WeakPolarHBondContact O-CB 3.38Å; L1324-L1327 PolarHBondContact O-N 3.5Å
1325I70.1Confident68.3Low19 Ų1922.9 Ų22.910%0.09712%0.12CC..Hα-helixtrans-63.6-41.9176.4-66.5152.5000110.8V154 C1243 A1321 A1322 H1323 L1327 V1328 T1329V154-I1325 HydrophobicContact CG1-CG1 4.49Å; V154-I1325 HydrophobicContact CG2-CD1 4.06Å; V154-I1325 HydrophobicContact CG2-CG1 4.36Å; C1243-I1325 HydrophobicContact CB-CD1 4.06Å; C1243-I1325 HydrophobicContact CB-CG2 4.18Å; C1243-I1325 WeakPolarHBondContact O-CD1 3.49Å; A1321-I1325 WeakPolarHBondContact O-CD1 3.48Å; A1321-I1325 WeakPolarHBondContact O-CG1 3.38Å; A1321-I1325 PolarHBondContact O-N 3.46Å; A1322-I1325 PolarHBondContact O-N 2.74Å; H1323-I1325 VanDerWaalsContact C-N 3.35Å; I1325-L1327 PolarHBondContact O-N 2.92Å; I1325-V1328 WeakPolarHBondContact O-CA 3.34Å; I1325-V1328 PolarHBondContact O-N 2.9Å; I1325-T1329 HydrophobicContact CG2-CG2 4.08Å; I1325-T1329 PolarHBondContact O-N 3.34Å; I1325-T1329 PolarHBondContact O-OG1 2.91Å; I1325-T1329 VanDerWaalsContact O-OG1 3.08Å
1326H67.9Low68.9Low73 Ų7325.3 Ų25.334%0.33813%0.132SC..Hα-helixtrans-60.4-25.4175177.5-100.9000114H329 A1322 H1323 V1328 L1332H329-H1326 AromaticContact CE1-NE2 3.85Å; A1322-H1326 WeakPolarHBondContact O-CB 3.27Å; A1322-H1326 PolarHBondContact O-N 2.81Å; H1323-H1326 WeakPolarHBondContact O-CB 3.45Å; H1323-H1326 PolarHBondContact O-N 3.17Å; H1326-V1328 PolarHBondContact O-N 3.31Å; H1326-L1332 HydrophobicContact CB-CB 4.36Å; H1326-L1332 HydrophobicContact CB-CD2 3.93Å
1327L63.8Low69.1Low36 Ų3626.7 Ų26.719%0.18813%0.134CC..THydrogen-bonded Turntrans-69.3-17.4171.6-63173.9000112.7F105 F109 H1323 L1324 I1325F105-L1327 HydrophobicContact CD2-CB 3.89Å; F105-L1327 VanDerWaalsContact CD2-O 3.24Å; F105-L1327 WeakPolarHBondContact CD2-O 3.36Å; F105-L1327 HydrophobicContact CE2-CB 3.63Å; F109-L1327 HydrophobicContact CB-CD1 4.45Å; F109-L1327 HydrophobicContact CD2-CD1 4.13Å; H1323-L1327 PolarHBondContact O-N 2.91Å; L1324-L1327 HydrophobicContact CD2-CD1 4.28Å; L1324-L1327 WeakPolarHBondContact O-CB 3.38Å; L1324-L1327 PolarHBondContact O-N 3.5Å; I1325-L1327 PolarHBondContact O-N 2.92Å
1328V62.7Low68.9Low22 Ų2228.3 Ų28.313%0.13314%0.144CC..THydrogen-bonded Turntrans-111.6-41.3-175.6-155.40000112.7F105 L226 A229 R233 Y1249 I1325 H1326F105-V1328 HydrophobicContact CE2-CG2 4.15Å; L226-V1328 HydrophobicContact CD2-CG1 4.32Å; L226-V1328 HydrophobicContact CD2-CG2 3.8Å; A229-V1328 HydrophobicContact CB-CG1 3.71Å; R233-V1328 PolarHBondContact NH2-O 3.49Å; R233-V1328 VanDerWaalsContact NH2-O 3.16Å; Y1249-V1328 HydrophobicContact CE2-CB 4.08Å; Y1249-V1328 HydrophobicContact CE2-CG1 3.7Å; Y1249-V1328 VanDerWaalsContact OH-CG1 3.26Å; Y1249-V1328 WeakPolarHBondContact OH-CG1 3.4Å; I1325-V1328 WeakPolarHBondContact O-CA 3.34Å; I1325-V1328 PolarHBondContact O-N 2.9Å; H1326-V1328 PolarHBondContact O-N 3.31Å
1329T65.2Low68.8Low5 Ų528.1 Ų28.13%0.03115%0.145CC..SBendtrans-92.8137.2176.658.20000111.8Y1249 F1252 I1325 C1331Y1249-T1329 HydrophobicContact CD2-CG2 4.04Å; Y1249-T1329 HydrophobicContact CE2-CG2 3.88Å; F1252-T1329 HydrophobicContact CD2-CG2 4.09Å; I1325-T1329 HydrophobicContact CG2-CG2 4.08Å; I1325-T1329 PolarHBondContact O-N 3.34Å; I1325-T1329 PolarHBondContact O-OG1 2.91Å; I1325-T1329 VanDerWaalsContact O-OG1 3.08Å; T1329-C1331 PolarHBondContact O-N 2.84Å
1330P60Low69Low59 Ų5927.1 Ų27.138%0.38314%0.139SC..SBendtrans-77.2-13.4-169.131.9-37.8000115.7I387I387-P1330 HydrophobicContact CD1-CB 3.55Å; I387-P1330 HydrophobicContact CD1-CG 3.94Å
1331C69.6Low69.3Low5 Ų530.9 Ų30.93%0.03416%0.156CC..  trans-141.6132.7-180-65.80000109.9I1259 A1260 T1329I1259-C1331 HydrophobicContact CG1-CB 4.32Å; A1260-C1331 WeakPolarHBondContact CB-O 3.45Å; A1260-C1331 PolarHBondContact N-O 2.98Å; T1329-C1331 PolarHBondContact O-N 2.84Å
1332L74.5Confident69.8Low17 Ų1731.1 Ų31.19%0.08916%0.158CC..EExtended strand (participates in β ladder)trans-134.5102.9177.7177.467.7000110.2H329 C1243 A1260 A1322 H1326H329-L1332 PolarHBondContact CE1-N 3.04Å; H329-L1332 VanDerWaalsContact CE1-N 3.3Å; H329-L1332 PolarHBondContact CE1-O 2.68Å; H329-L1332 PolarHBondContact ND1-O 2.91Å; C1243-L1332 HydrophobicContact CB-CD1 3.79Å; A1260-L1332 HydrophobicContact CB-CD1 3.92Å; A1260-L1332 CarbonylContact O-C 3.23Å; A1260-L1332 VanDerWaalsContact O-CA 3.27Å; A1260-L1332 WeakPolarHBondContact O-CA 3.32Å; A1322-L1332 HydrophobicContact CB-CD2 4.16Å; H1326-L1332 HydrophobicContact CB-CB 4.36Å; H1326-L1332 HydrophobicContact CB-CD2 3.93Å
1333L74.3Confident70.4Confident17 Ų1731.8 Ų31.89%0.08916%0.16CC..EExtended strand (participates in β ladder)trans-83.8138.7176.6-171.267.3000110.9I1259 A1260 V1261 K1262 F1340 V1342I1259-L1333 HydrophobicContact CG2-CB 4.19Å; A1260-L1333 PolarHBondContact O-N 2.84Å; V1261-L1333 CarbonylContact C-O 3.57Å; V1261-L1333 WeakPolarHBondContact CA-O 3.19Å; V1261-L1333 HydrophobicContact CG2-CB 4.36Å; K1262-L1333 PolarHBondContact N-O 2.91Å; L1333-F1340 HydrophobicContact CD2-CD2 4.19Å; L1333-V1342 HydrophobicContact CD2-CG2 3.98Å
1334D73.6Confident71Confident8 Ų833.5 Ų33.54%0.04317%0.171CC..EExtended strand (participates in β ladder)trans-11191.7175.2-169.2-13.7000109.3E1336 K1337 T1338D1334-E1336 PolarHBondContact O-N 3.48Å; D1334-K1337 PolarHBondContact O-N 2.88Å; D1334-K1337 VanDerWaalsContact O-N 3.11Å; D1334-K1337 WeakPolarHBondContact OD2-CD 3.38Å; D1334-K1337 WeakPolarHBondContact OD2-CE 3.37Å; D1334-K1337 IonicContact OD2-NZ 3.76Å; D1334-K1337 PolarHBondContact OD2-NZ 2.87Å; D1334-T1338 PolarHBondContact O-N 3.08Å; D1334-T1338 PolarHBondContact O-OG1 2.86Å
1335I73.5Confident71.6Confident8 Ų834.1 Ų34.14%0.04117%0.174CC..Hα-helixtrans-54.3-38.9-173.3-76.4174.5000111.7V405 V1261 I1264 K1337 G1339 F1340V405-I1335 HydrophobicContact CG1-CD1 4.46Å; V405-I1335 WeakPolarHBondContact O-CD1 3.24Å; V1261-I1335 HydrophobicContact CG1-CD1 3.43Å; V1261-I1335 VanDerWaalsContact CG1-CD1 3.43Å; V1261-I1335 HydrophobicContact CG1-CG1 3.63Å; I1264-I1335 HydrophobicContact CD1-CG2 3.9Å; I1264-I1335 HydrophobicContact CG1-CG2 3.83Å; I1335-K1337 VanDerWaalsContact C-N 3.26Å; I1335-K1337 PolarHBondContact O-N 3.42Å; I1335-G1339 WeakPolarHBondContact O-CA 3.34Å; I1335-G1339 PolarHBondContact O-N 2.94Å; I1335-G1339 VanDerWaalsContact O-N 3.1Å; I1335-F1340 HydrophobicContact CD1-CD2 4.41Å
1336E67.6Low72.2Confident100 Ų10033.4 Ų33.447%0.46717%0.17SC..Hα-helixtrans-62.3-34.7-175.7-165.8-170.5162.100111.9Y1267 D1334Y1267-E1336 PolarHBondContact OH-OE1 2.99Å; D1334-E1336 PolarHBondContact O-N 3.48Å
1337K67.5Low72.9Confident101 Ų10130.6 Ų30.644%0.43916%0.158SC..Hα-helixtrans-106.4-36-171-59-178.7-167.2126.60114.3V330 D1334 I1335V330-K1337 HydrophobicContact CB-CD 4.11Å; V330-K1337 HydrophobicContact CG1-CD 3.94Å; V330-K1337 HydrophobicContact CG2-CB 3.46Å; V330-K1337 VanDerWaalsContact CG2-CB 3.46Å; V330-K1337 HydrophobicContact CG2-CD 3.62Å; V330-K1337 HydrophobicContact CG2-CG 4.19Å; D1334-K1337 PolarHBondContact O-N 2.88Å; D1334-K1337 VanDerWaalsContact O-N 3.11Å; D1334-K1337 WeakPolarHBondContact OD2-CD 3.38Å; D1334-K1337 WeakPolarHBondContact OD2-CE 3.37Å; D1334-K1337 IonicContact OD2-NZ 3.76Å; D1334-K1337 PolarHBondContact OD2-NZ 2.87Å; I1335-K1337 VanDerWaalsContact C-N 3.26Å; I1335-K1337 PolarHBondContact O-N 3.42Å
1338T64.4Low73.8Confident33 Ų3329.7 Ų29.720%0.20215%0.153CC..Hα-helixtrans-115.2-11.6-17857.80000114.2A328 V330 D1334 H1341A328-T1338 VanDerWaalsContact O-CB 3.26Å; A328-T1338 WeakPolarHBondContact O-CB 3.48Å; A328-T1338 WeakPolarHBondContact O-CG2 3.22Å; A328-T1338 PolarHBondContact O-OG1 3.48Å; V330-T1338 HydrophobicContact CG2-CG2 3.76Å; D1334-T1338 PolarHBondContact O-N 3.08Å; D1334-T1338 PolarHBondContact O-OG1 2.86Å; T1338-H1341 PolarHBondContact O-CD2 3.4Å
1339G69Low74.7Confident4 Ų428.7 Ų28.74%0.04115%0.147CC..  trans72.6177.5177.500000114.5I1335 H1341I1335-G1339 WeakPolarHBondContact O-CA 3.34Å; I1335-G1339 PolarHBondContact O-N 2.94Å; I1335-G1339 VanDerWaalsContact O-N 3.1Å; G1339-H1341 VanDerWaalsContact C-N 3.26Å; G1339-H1341 PolarHBondContact O-N 2.89Å
1340F76Confident75.4Confident1 Ų129.9 Ų29.90%0.00415%0.152CC..SBendtrans-84.457.9-171.6-160.8-102.4000114Q968 V969 S972 I1240 L1333 I1335 V1342Q968-F1340 HydrophobicContact CB-CB 4.23Å; V969-F1340 HydrophobicContact CB-CD1 4.27Å; V969-F1340 HydrophobicContact CG1-CD1 4.42Å; V969-F1340 HydrophobicContact CG1-CE1 4.27Å; V969-F1340 HydrophobicContact CG2-CB 3.9Å; V969-F1340 HydrophobicContact CG2-CD1 3.8Å; V969-F1340 HydrophobicContact CG2-CD2 3.95Å; V969-F1340 HydrophobicContact CG2-CE1 4.3Å; V969-F1340 HydrophobicContact CG2-CE2 4.42Å; V969-F1340 HydrophobicContact CG2-CG 3.61Å; S972-F1340 PolarHBondContact OG-O 3.21Å; I1240-F1340 HydrophobicContact CD1-CE2 4.3Å; I1240-F1340 HydrophobicContact CD1-CZ 3.82Å; I1240-F1340 HydrophobicContact CG2-CE2 4.45Å; L1333-F1340 HydrophobicContact CD2-CD2 4.19Å; I1335-F1340 HydrophobicContact CD1-CD2 4.41Å; F1340-V1342 HydrophobicContact CD1-CG2 4.38Å; F1340-V1342 HydrophobicContact CD2-CG2 4.17Å; F1340-V1342 HydrophobicContact CE1-CB 4.29Å; F1340-V1342 HydrophobicContact CE1-CG2 4.07Å; F1340-V1342 HydrophobicContact CE2-CG2 3.84Å; F1340-V1342 HydrophobicContact CG-CG2 4.43Å; F1340-V1342 HydrophobicContact CZ-CB 4.39Å; F1340-V1342 HydrophobicContact CZ-CG2 3.79Å; F1340-V1342 PolarHBondContact O-N 2.77Å; F1340-V1342 VanDerWaalsContact O-N 3.14Å
1341H76.3Confident76.5Confident91 Ų9127.1 Ų27.142%0.42113%0.134SC..THydrogen-bonded Turntrans-82.428.1-176-77.9-93.2000115.1T1338 G1339 Y1343 D1344 L1345T1338-H1341 PolarHBondContact O-CD2 3.4Å; G1339-H1341 VanDerWaalsContact C-N 3.26Å; G1339-H1341 PolarHBondContact O-N 2.89Å; H1341-Y1343 VanDerWaalsContact C-N 3.27Å; H1341-Y1343 PolarHBondContact O-N 2.75Å; H1341-D1344 IonicContact CE1-OD2 2.66Å; H1341-D1344 IonicContact CG-OD2 2.64Å; H1341-D1344 IonicContact ND1-OD2 3.92Å; H1341-D1344 PolarHBondContact ND1-OD2 2.83Å; H1341-D1344 PolarHBondContact O-N 3.41Å; H1341-L1345 PolarHBondContact O-N 2.97Å
1342V82.2Confident77.1Confident6 Ų627 Ų274%0.03613%0.133CC..Hα-helixtrans-60.2-35.2-180-177.90000112.2I1240 I1259 L1333 F1340 L1345 I1346I1240-V1342 HydrophobicContact CD1-CG1 4.26Å; I1240-V1342 HydrophobicContact CD1-CG2 4.28Å; I1259-V1342 HydrophobicContact CD1-CG1 4.01Å; L1333-V1342 HydrophobicContact CD2-CG2 3.98Å; F1340-V1342 HydrophobicContact CD1-CG2 4.38Å; F1340-V1342 HydrophobicContact CD2-CG2 4.17Å; F1340-V1342 HydrophobicContact CE1-CB 4.29Å; F1340-V1342 HydrophobicContact CE1-CG2 4.07Å; F1340-V1342 HydrophobicContact CE2-CG2 3.84Å; F1340-V1342 HydrophobicContact CG-CG2 4.43Å; F1340-V1342 HydrophobicContact CZ-CB 4.39Å; F1340-V1342 HydrophobicContact CZ-CG2 3.79Å; F1340-V1342 PolarHBondContact O-N 2.77Å; F1340-V1342 VanDerWaalsContact O-N 3.14Å; V1342-L1345 PolarHBondContact O-N 2.85Å; V1342-I1346 HydrophobicContact CG1-CD1 3.98Å; V1342-I1346 WeakPolarHBondContact O-CD1 3.39Å; V1342-I1346 WeakPolarHBondContact O-CG1 3.39Å; V1342-I1346 PolarHBondContact O-N 3.33Å
1343Y84.1Confident77.3Confident15 Ų1527.1 Ų27.16%0.05913%0.134CC..Hα-helixtrans-62.5-44.8177.6173.1-92.6000112.6Q975 L976 A979 H1341 L1345 I1346 V1347 L1478Q975-Y1343 HydrophobicContact CB-CD1 4.13Å; Q975-Y1343 HydrophobicContact CB-CD2 3.56Å; Q975-Y1343 HydrophobicContact CB-CE1 4.26Å; Q975-Y1343 HydrophobicContact CB-CE2 3.71Å; Q975-Y1343 HydrophobicContact CB-CG 3.79Å; L976-Y1343 HydrophobicContact CD2-CD2 4.21Å; L976-Y1343 HydrophobicContact CG-CD2 4.45Å; A979-Y1343 HydrophobicContact CB-CE2 4.16Å; H1341-Y1343 VanDerWaalsContact C-N 3.27Å; H1341-Y1343 PolarHBondContact O-N 2.75Å; Y1343-L1345 VanDerWaalsContact C-N 3.28Å; Y1343-L1345 PolarHBondContact O-N 2.87Å; Y1343-I1346 PolarHBondContact O-N 3.45Å; Y1343-I1346 VanDerWaalsContact O-N 3.14Å; Y1343-V1347 HydrophobicContact CD1-CG2 4.08Å; Y1343-V1347 HydrophobicContact CE1-CG2 3.51Å; Y1343-V1347 HydrophobicContact CE2-CG2 4.04Å; Y1343-V1347 VanDerWaalsContact CZ-CG2 3.48Å; Y1343-V1347 WeakPolarHBondContact O-CG2 3.28Å; Y1343-V1347 PolarHBondContact O-N 3.46Å; Y1343-L1478 PolarHBondContact OH-N 2.7Å; Y1343-L1478 VanDerWaalsContact OH-N 3.12Å
1344D80.7Confident77.5Confident77 Ų7727.7 Ų27.741%0.41214%0.138SC..Hα-helixtrans-66.8-34.3-176.7-59.2-35.1000111.1H1341 V1347 E1348H1341-D1344 IonicContact CE1-OD2 2.66Å; H1341-D1344 IonicContact CG-OD2 2.64Å; H1341-D1344 IonicContact ND1-OD2 3.92Å; H1341-D1344 PolarHBondContact ND1-OD2 2.83Å; H1341-D1344 PolarHBondContact O-N 3.41Å; D1344-V1347 PolarHBondContact O-N 2.94Å; D1344-E1348 PolarHBondContact O-N 3.06Å
1345L80.5Confident78Confident20 Ų2027.4 Ų27.411%0.10514%0.136CC..Hα-helixtrans-63.4-40.8173-165.873.4000112.3F321 L325 L391 H1341 V1342 Y1343 A1349F321-L1345 HydrophobicContact CD2-CD1 4.44Å; F321-L1345 HydrophobicContact CE1-CD1 4.45Å; F321-L1345 HydrophobicContact CE2-CD1 3.56Å; F321-L1345 HydrophobicContact CE2-CG 3.81Å; F321-L1345 HydrophobicContact CZ-CD1 3.58Å; F321-L1345 HydrophobicContact CZ-CD2 4.12Å; F321-L1345 HydrophobicContact CZ-CG 3.75Å; L325-L1345 HydrophobicContact CB-CD1 4.36Å; L325-L1345 HydrophobicContact CD1-CD1 3.6Å; L325-L1345 HydrophobicContact CD1-CD2 3.74Å; L325-L1345 HydrophobicContact CD1-CG 4.31Å; L391-L1345 HydrophobicContact CD2-CB 4.34Å; L391-L1345 HydrophobicContact CD2-CD2 3.88Å; L391-L1345 HydrophobicContact CD2-CG 3.73Å; H1341-L1345 PolarHBondContact O-N 2.97Å; V1342-L1345 PolarHBondContact O-N 2.85Å; Y1343-L1345 VanDerWaalsContact C-N 3.28Å; Y1343-L1345 PolarHBondContact O-N 2.87Å; L1345-A1349 WeakPolarHBondContact O-CB 3.39Å; L1345-A1349 PolarHBondContact O-N 3.3Å
1346I82.2Confident78.3Confident3 Ų327.4 Ų27.42%0.01514%0.136CC..Hα-helixtrans-67.2-40.3176.4-64.9158000110.9L391 L394 V397 L976 I981 V1342 Y1343 A1349 H1350L391-I1346 HydrophobicContact CD1-CG1 3.83Å; L391-I1346 HydrophobicContact CD2-CG1 4.14Å; L391-I1346 HydrophobicContact CG-CB 4.45Å; L391-I1346 HydrophobicContact CG-CG1 3.84Å; L394-I1346 HydrophobicContact CD2-CD1 3.66Å; L394-I1346 HydrophobicContact CD2-CG1 3.95Å; V397-I1346 HydrophobicContact CG2-CD1 4.28Å; L976-I1346 HydrophobicContact CD2-CD1 3.75Å; I981-I1346 HydrophobicContact CD1-CG2 3.72Å; V1342-I1346 HydrophobicContact CG1-CD1 3.98Å; V1342-I1346 WeakPolarHBondContact O-CD1 3.39Å; V1342-I1346 WeakPolarHBondContact O-CG1 3.39Å; V1342-I1346 PolarHBondContact O-N 3.33Å; Y1343-I1346 PolarHBondContact O-N 3.45Å; Y1343-I1346 VanDerWaalsContact O-N 3.14Å; I1346-A1349 PolarHBondContact O-N 3.33Å; I1346-H1350 WeakPolarHBondContact O-CB 3.33Å; I1346-H1350 PolarHBondContact O-N 3.41Å
1347V83.3Confident78.8Confident14 Ų1427.6 Ų27.69%0.08513%0.133CC..Hα-helixtrans-62.6-46176.9172.70000111.4Y1343 D1344 H1350 A1351 L1478Y1343-V1347 HydrophobicContact CD1-CG2 4.08Å; Y1343-V1347 HydrophobicContact CE1-CG2 3.51Å; Y1343-V1347 HydrophobicContact CE2-CG2 4.04Å; Y1343-V1347 VanDerWaalsContact CZ-CG2 3.48Å; Y1343-V1347 WeakPolarHBondContact O-CG2 3.28Å; Y1343-V1347 PolarHBondContact O-N 3.46Å; D1344-V1347 PolarHBondContact O-N 2.94Å; V1347-H1350 PolarHBondContact O-N 3.12Å; V1347-A1351 WeakPolarHBondContact O-CB 3.39Å; V1347-A1351 PolarHBondContact O-N 2.72Å; V1347-L1478 HydrophobicContact CG2-CB 4.36Å; V1347-L1478 HydrophobicContact CG2-CD1 4.32Å
1348E82.7Confident79.5Confident18 Ų1823.2 Ų23.28%0.08412%0.115CC..Hα-helixtrans-62.8-43.9176.4176.855.4-15000111.6H320 F321 V324 D1344 S1352 R1474H320-E1348 IonicContact CE1-OE1 3.91Å; H320-E1348 PolarHBondContact CE1-OE1 3.09Å; H320-E1348 IonicContact CE1-OE2 2.7Å; H320-E1348 IonicContact CG-OE1 2.63Å; H320-E1348 IonicContact ND1-OE1 2.75Å; H320-E1348 PolarHBondContact ND1-OE1 3.32Å; F321-E1348 HydrophobicContact CD2-CG 4.36Å; V324-E1348 HydrophobicContact CB-CG 4.4Å; V324-E1348 HydrophobicContact CG1-CB 4.49Å; V324-E1348 HydrophobicContact CG1-CG 4.31Å; V324-E1348 HydrophobicContact CG2-CG 4.17Å; D1344-E1348 PolarHBondContact O-N 3.06Å; E1348-S1352 WeakPolarHBondContact O-CB 3.22Å; E1348-S1352 PolarHBondContact O-N 3.3Å; E1348-S1352 PolarHBondContact O-OG 3.21Å; E1348-R1474 VanDerWaalsContact CD-NE 3.35Å; E1348-R1474 IonicContact OE1-CZ 3.99Å; E1348-R1474 IonicContact OE1-NE 2.81Å; E1348-R1474 PolarHBondContact OE1-NE 3.23Å; E1348-R1474 VanDerWaalsContact OE1-NE 3.1Å; E1348-R1474 IonicContact OE1-NH2 2.66Å; E1348-R1474 PolarHBondContact OE1-NH2 3.08Å; E1348-R1474 VanDerWaalsContact OE2-CD 3.3Å; E1348-R1474 WeakPolarHBondContact OE2-CD 2.97Å; E1348-R1474 WeakPolarHBondContact OE2-CG 3.41Å; E1348-R1474 IonicContact OE2-CZ 3.51Å; E1348-R1474 IonicContact OE2-NE 3.8Å; E1348-R1474 PolarHBondContact OE2-NE 3.39Å; E1348-R1474 IonicContact OE2-NH2 3Å
1349A81.7Confident80.4Confident0 Ų021.7 Ų21.70%011%0.105CC..Hα-helixtrans-60.1-50.7175.900000111.8F321 L391 L1345 I1346 A1351 S1352 V1353F321-A1349 HydrophobicContact CD2-CB 4.48Å; F321-A1349 HydrophobicContact CE2-CB 3.99Å; L391-A1349 HydrophobicContact CB-CB 3.8Å; L391-A1349 HydrophobicContact CD2-CB 3.81Å; L391-A1349 HydrophobicContact CG-CB 4.04Å; L1345-A1349 WeakPolarHBondContact O-CB 3.39Å; L1345-A1349 PolarHBondContact O-N 3.3Å; I1346-A1349 PolarHBondContact O-N 3.33Å; A1349-A1351 PolarHBondContact O-N 2.85Å; A1349-S1352 PolarHBondContact O-N 2.97Å; A1349-S1352 PolarHBondContact O-OG 2.75Å; A1349-V1353 VanDerWaalsContact O-CG2 3.31Å; A1349-V1353 WeakPolarHBondContact O-CG2 3.19Å; A1349-V1353 PolarHBondContact O-N 3.25Å
1350H80.3Confident80.8Confident31 Ų3122.7 Ų22.714%0.14411%0.11CC..Hα-helixtrans-57.9-48.3179-169-77.2000112.1G392 I1346 V1347 S1352 V1353 N1354 E1473 L1478G392-H1350 PolarHBondContact O-CD2 2.54Å; I1346-H1350 WeakPolarHBondContact O-CB 3.33Å; I1346-H1350 PolarHBondContact O-N 3.41Å; V1347-H1350 PolarHBondContact O-N 3.12Å; H1350-S1352 VanDerWaalsContact C-N 3.32Å; H1350-S1352 PolarHBondContact O-N 3.16Å; H1350-V1353 PolarHBondContact O-N 2.89Å; H1350-N1354 PolarHBondContact O-N 2.9Å; H1350-E1473 IonicContact CE1-OE1 3.49Å; H1350-E1473 PolarHBondContact CE1-OE1 3.28Å; H1350-E1473 IonicContact ND1-OE1 3.14Å; H1350-E1473 PolarHBondContact ND1-OE1 3.22Å; H1350-L1478 HydrophobicContact CB-CD1 3.88Å; H1350-L1478 HydrophobicContact CB-CD2 4.47Å
1351A82Confident80.9Confident0 Ų023 Ų230%011%0.111CC..Hα-helixtrans-60.1-42.2177.500000111.9V1347 A1349 N1354 N1355 E1473 R1474V1347-A1351 WeakPolarHBondContact O-CB 3.39Å; V1347-A1351 PolarHBondContact O-N 2.72Å; A1349-A1351 PolarHBondContact O-N 2.85Å; A1351-N1354 PolarHBondContact O-N 2.96Å; A1351-N1355 WeakPolarHBondContact O-CB 3.29Å; A1351-N1355 PolarHBondContact O-N 3.12Å; A1351-N1355 PolarHBondContact O-OD1 3.47Å; A1351-E1473 HydrophobicContact CB-CB 4.02Å; A1351-E1473 HydrophobicContact CB-CG 4.21Å; A1351-R1474 HydrophobicContact CB-CG 3.73Å
1352S82.3Confident81.3Confident2 Ų218.7 Ų18.71%0.0149%0.091CC..Hα-helixtrans-66.6-38.1177.778.30000112.7V388 E1348 A1349 H1350 N1355 L1356V388-S1352 VanDerWaalsContact CG1-OG 3.27Å; V388-S1352 WeakPolarHBondContact CG1-OG 3.46Å; E1348-S1352 WeakPolarHBondContact O-CB 3.22Å; E1348-S1352 PolarHBondContact O-N 3.3Å; E1348-S1352 PolarHBondContact O-OG 3.21Å; A1349-S1352 PolarHBondContact O-N 2.97Å; A1349-S1352 PolarHBondContact O-OG 2.75Å; H1350-S1352 VanDerWaalsContact C-N 3.32Å; H1350-S1352 PolarHBondContact O-N 3.16Å; S1352-N1355 PolarHBondContact O-N 2.97Å; S1352-L1356 WeakPolarHBondContact O-CB 3.44Å; S1352-L1356 PolarHBondContact O-N 2.86Å
1353V78.7Confident81.2Confident20 Ų2018.5 Ų18.512%0.1219%0.09CC..Hα-helixtrans-69.3-39.1176.81730000111.2V388 L389 A1349 H1350 L1356 Y1357V388-V1353 HydrophobicContact CG1-CG2 3.99Å; V388-V1353 WeakPolarHBondContact O-CG2 3.29Å; L389-V1353 HydrophobicContact CD2-CG1 4.21Å; L389-V1353 HydrophobicContact CD2-CG2 3.97Å; A1349-V1353 VanDerWaalsContact O-CG2 3.31Å; A1349-V1353 WeakPolarHBondContact O-CG2 3.19Å; A1349-V1353 PolarHBondContact O-N 3.25Å; H1350-V1353 PolarHBondContact O-N 2.89Å; V1353-L1356 PolarHBondContact O-N 3.46Å; V1353-Y1357 PolarHBondContact O-N 3.22Å
1354N79.5Confident80.7Confident30 Ų3019.7 Ų19.716%0.1610%0.101CC..Hα-helixtrans-72.1-34.8176.2-157.718.9000112.2H1350 A1351 Y1357 H1358 E1473H1350-N1354 PolarHBondContact O-N 2.9Å; A1351-N1354 PolarHBondContact O-N 2.96Å; N1354-Y1357 PolarHBondContact O-N 2.98Å; N1354-H1358 PolarHBondContact O-CD2 3.45Å; N1354-H1358 VanDerWaalsContact O-CD2 3.23Å; N1354-H1358 PolarHBondContact O-N 2.8Å; N1354-E1473 PolarHBondContact ND2-OE2 3.43Å
1355N84Confident80.6Confident1 Ų116.9 Ų16.91%0.0059%0.087CC..Hα-helixtrans-61.3-43.6169.8-70.20.2000111.5A1351 S1352 H1358 C1359 I1468 R1470A1351-N1355 WeakPolarHBondContact O-CB 3.29Å; A1351-N1355 PolarHBondContact O-N 3.12Å; A1351-N1355 PolarHBondContact O-OD1 3.47Å; S1352-N1355 PolarHBondContact O-N 2.97Å; N1355-H1358 PolarHBondContact O-N 3.41Å; N1355-C1359 WeakPolarHBondContact O-CB 3.44Å; N1355-C1359 PolarHBondContact O-N 3.28Å; N1355-I1468 PolarHBondContact ND2-O 3.48Å; N1355-R1470 PolarHBondContact ND2-O 2.96Å; N1355-R1470 PolarHBondContact OD1-NE 2.78Å; N1355-R1470 PolarHBondContact OD1-NH2 2.94Å
1356L79.6Confident80.7Confident8 Ų816 Ų164%0.0428%0.082CC..Hα-helixtrans-64.1-37.9175.4-176.562.7000112.2W310 A313 T314 L389 S1352 V1353 C1359 L1360W310-L1356 HydrophobicContact CE3-CD1 4.04Å; W310-L1356 HydrophobicContact CE3-CD2 4.4Å; W310-L1356 HydrophobicContact CE3-CG 4.35Å; W310-L1356 HydrophobicContact CH2-CD2 3.93Å; W310-L1356 HydrophobicContact CZ3-CD1 4.02Å; W310-L1356 HydrophobicContact CZ3-CD2 3.61Å; W310-L1356 HydrophobicContact CZ3-CG 3.82Å; A313-L1356 HydrophobicContact CB-CD1 3.51Å; T314-L1356 HydrophobicContact CG2-CD2 4.37Å; L389-L1356 HydrophobicContact CD2-CD2 4.24Å; S1352-L1356 WeakPolarHBondContact O-CB 3.44Å; S1352-L1356 PolarHBondContact O-N 2.86Å; V1353-L1356 PolarHBondContact O-N 3.46Å; L1356-C1359 WeakPolarHBondContact O-CB 3.36Å; L1356-C1359 PolarHBondContact O-N 3.26Å; L1356-L1360 PolarHBondContact O-N 3.31Å
1357Y78.5Confident80.4Confident104 Ų10415.9 Ų15.941%0.4088%0.081SC..Hα-helixtrans-62.1-51.8172.7173.5-111.3000111.8V1353 N1354 C1359 L1360 V1361 F1497V1353-Y1357 PolarHBondContact O-N 3.22Å; N1354-Y1357 PolarHBondContact O-N 2.98Å; Y1357-C1359 VanDerWaalsContact C-N 3.28Å; Y1357-C1359 PolarHBondContact O-N 2.74Å; Y1357-L1360 PolarHBondContact O-N 3.28Å; Y1357-V1361 HydrophobicContact CD1-CG2 4.45Å; Y1357-V1361 HydrophobicContact CD2-CG2 4.02Å; Y1357-V1361 HydrophobicContact CE1-CG2 4.07Å; Y1357-V1361 HydrophobicContact CE2-CG2 3.6Å; Y1357-V1361 HydrophobicContact CG-CG2 4.43Å; Y1357-V1361 VanDerWaalsContact O-CG2 3.28Å; Y1357-V1361 WeakPolarHBondContact O-CG2 3.43Å; Y1357-V1361 PolarHBondContact O-N 2.92Å; Y1357-F1497 VanDerWaalsContact OH-CD2 3.26Å; Y1357-F1497 WeakPolarHBondContact OH-CD2 3.17Å; Y1357-F1497 WeakPolarHBondContact OH-CE2 3.28Å
1358H81.6Confident80Confident10 Ų1018.9 Ų18.95%0.04610%0.097CC..Hα-helixtrans-60.6-36.3176.9-70.8-54.2000112.7N1354 N1355 F1362 Y1601N1354-H1358 PolarHBondContact O-CD2 3.45Å; N1354-H1358 VanDerWaalsContact O-CD2 3.23Å; N1354-H1358 PolarHBondContact O-N 2.8Å; N1355-H1358 PolarHBondContact O-N 3.41Å; H1358-F1362 WeakPolarHBondContact O-CB 3.49Å; H1358-F1362 PolarHBondContact O-N 3.35Å; H1358-Y1601 AromaticContact CE1-CD1 3.58Å; H1358-Y1601 AromaticContact CE1-CD2 3.73Å; H1358-Y1601 AromaticContact CE1-CE1 3.88Å; H1358-Y1601 AromaticContact CE1-CE2 3.98Å; H1358-Y1601 AromaticContact CE1-CG 3.5Å; H1358-Y1601 VanDerWaalsContact CE1-CG 3.5Å; H1358-Y1601 AromaticContact NE2-CD1 3.33Å; H1358-Y1601 VanDerWaalsContact NE2-CD1 3.33Å; H1358-Y1601 WeakPolarHBondContact NE2-CD1 3.42Å; H1358-Y1601 AromaticContact NE2-CE1 3.91Å; H1358-Y1601 AromaticContact NE2-CG 3.49Å
1359C83Confident79.8Confident1 Ų118.5 Ų18.51%0.00710%0.096CC..Hα-helixtrans-60.6-51.9173-179.30000112.2N1355 L1356 Y1357 V1361 F1362 S1363 T1464 I1468N1355-C1359 WeakPolarHBondContact O-CB 3.44Å; N1355-C1359 PolarHBondContact O-N 3.28Å; L1356-C1359 WeakPolarHBondContact O-CB 3.36Å; L1356-C1359 PolarHBondContact O-N 3.26Å; Y1357-C1359 VanDerWaalsContact C-N 3.28Å; Y1357-C1359 PolarHBondContact O-N 2.74Å; C1359-V1361 PolarHBondContact O-N 2.88Å; C1359-F1362 PolarHBondContact O-N 2.81Å; C1359-S1363 WeakPolarHBondContact O-CB 3.44Å; C1359-S1363 PolarHBondContact O-N 2.81Å; C1359-T1464 PolarHBondContact SG-O 2.91Å; C1359-T1464 VanDerWaalsContact SG-O 3.33Å; C1359-I1468 HydrophobicContact CB-CG1 4.48Å
1360L76.5Confident79.7Confident25 Ų2518.6 Ų18.613%0.13110%0.097CC..Hα-helixtrans-60.6-41.3176.4-84.2-178000113.1V247 L306 W310 L1356 Y1357 S1363 S1364V247-L1360 HydrophobicContact CG1-CD1 3.94Å; L306-L1360 HydrophobicContact CD2-CD2 4.17Å; W310-L1360 HydrophobicContact CE3-CD1 3.68Å; W310-L1360 HydrophobicContact CE3-CD2 3.95Å; W310-L1360 HydrophobicContact CE3-CG 3.98Å; W310-L1360 HydrophobicContact CZ3-CD1 3.61Å; W310-L1360 HydrophobicContact CZ3-CG 4.32Å; L1356-L1360 PolarHBondContact O-N 3.31Å; Y1357-L1360 PolarHBondContact O-N 3.28Å; L1360-S1363 PolarHBondContact O-N 3.02Å; L1360-S1364 WeakPolarHBondContact O-CB 3.03Å; L1360-S1364 PolarHBondContact O-N 2.57Å; L1360-S1364 PolarHBondContact O-OG 3.04Å
1361V78.4Confident79.4Confident7 Ų717.3 Ų17.34%0.0429%0.092CC..Hα-helixtrans-60-54.8177.4166.70000110Y1357 C1359 S1363 S1364 T1365 F1497 T1501 Y1598Y1357-V1361 HydrophobicContact CD1-CG2 4.45Å; Y1357-V1361 HydrophobicContact CD2-CG2 4.02Å; Y1357-V1361 HydrophobicContact CE1-CG2 4.07Å; Y1357-V1361 HydrophobicContact CE2-CG2 3.6Å; Y1357-V1361 HydrophobicContact CG-CG2 4.43Å; Y1357-V1361 VanDerWaalsContact O-CG2 3.28Å; Y1357-V1361 WeakPolarHBondContact O-CG2 3.43Å; Y1357-V1361 PolarHBondContact O-N 2.92Å; C1359-V1361 PolarHBondContact O-N 2.88Å; V1361-S1363 VanDerWaalsContact C-N 3.31Å; V1361-S1363 PolarHBondContact O-N 2.82Å; V1361-S1364 PolarHBondContact O-N 3.38Å; V1361-S1364 PolarHBondContact O-OG 2.87Å; V1361-S1364 VanDerWaalsContact O-OG 3.08Å; V1361-T1365 WeakPolarHBondContact O-CG2 3.37Å; V1361-T1365 PolarHBondContact O-N 3.35Å; V1361-T1365 PolarHBondContact O-OG1 2.76Å; V1361-T1365 VanDerWaalsContact O-OG1 3.07Å; V1361-F1497 HydrophobicContact CB-CE2 4.24Å; V1361-F1497 HydrophobicContact CB-CZ 4.35Å; V1361-F1497 HydrophobicContact CG1-CE2 3.64Å; V1361-F1497 HydrophobicContact CG1-CZ 3.81Å; V1361-F1497 HydrophobicContact CG2-CE2 3.52Å; V1361-F1497 HydrophobicContact CG2-CZ 3.77Å; V1361-T1501 HydrophobicContact CG1-CG2 4.28Å; V1361-Y1598 HydrophobicContact CG1-CE1 3.86Å
1362F85Confident79.1Confident1 Ų120.7 Ų20.70%0.00411%0.11CC..Hα-helixtrans-64.7-35.9-179.2-174.2-113.8000112.3H1358 C1359 T1366 L1463 T1464 L1467 F1505 I1594 Y1598H1358-F1362 WeakPolarHBondContact O-CB 3.49Å; H1358-F1362 PolarHBondContact O-N 3.35Å; C1359-F1362 PolarHBondContact O-N 2.81Å; F1362-T1366 WeakPolarHBondContact CD2-OG1 3.5Å; F1362-T1366 VanDerWaalsContact CE2-OG1 3.3Å; F1362-T1366 WeakPolarHBondContact CE2-OG1 3.34Å; F1362-T1366 VanDerWaalsContact O-CB 3.27Å; F1362-T1366 WeakPolarHBondContact O-CB 3.49Å; F1362-T1366 PolarHBondContact O-N 2.89Å; F1362-T1366 PolarHBondContact O-OG1 3.14Å; F1362-L1463 HydrophobicContact CE1-CB 3.91Å; F1362-T1464 HydrophobicContact CD1-CG2 3.63Å; F1362-T1464 HydrophobicContact CE1-CG2 4.24Å; F1362-L1467 HydrophobicContact CB-CD1 3.78Å; F1362-L1467 HydrophobicContact CD1-CD1 3.85Å; F1362-L1467 HydrophobicContact CG-CD1 4.05Å; F1362-F1505 HydrophobicContact CD2-CZ 4.21Å; F1362-F1505 HydrophobicContact CE2-CZ 4.14Å; F1362-I1594 HydrophobicContact CE2-CG2 4.09Å; F1362-Y1598 HydrophobicContact CB-CD2 4.31Å; F1362-Y1598 HydrophobicContact CB-CG 4.43Å; F1362-Y1598 AromaticContact CD2-CD2 3.68Å; F1362-Y1598 HydrophobicContact CD2-CD2 3.68Å; F1362-Y1598 AromaticContact CD2-CE2 3.77Å; F1362-Y1598 HydrophobicContact CD2-CE2 3.77Å; F1362-Y1598 HydrophobicContact CE2-CD2 4.41Å; F1362-Y1598 HydrophobicContact CG-CD2 4.23Å
1363S79.5Confident79Confident1 Ų120.6 Ų20.61%0.00711%0.109CC..Hα-helixtrans-64.7-36.2175.7177.40000113.3L306 I309 C1359 L1360 V1361 P1367L306-S1363 VanDerWaalsContact CD2-OG 3.26Å; L306-S1363 WeakPolarHBondContact CD2-OG 3.34Å; I309-S1363 VanDerWaalsContact CD1-OG 3.26Å; I309-S1363 WeakPolarHBondContact CD1-OG 3.49Å; C1359-S1363 WeakPolarHBondContact O-CB 3.44Å; C1359-S1363 PolarHBondContact O-N 2.81Å; L1360-S1363 PolarHBondContact O-N 3.02Å; V1361-S1363 VanDerWaalsContact C-N 3.31Å; V1361-S1363 PolarHBondContact O-N 2.82Å; S1363-P1367 WeakPolarHBondContact O-CD 3.34Å; S1363-P1367 WeakPolarHBondContact O-CG 3.38Å
1364S74.8Confident78.8Confident40 Ų4020.1 Ų20.128%0.2811%0.105SC..Hα-helixtrans-85.6-38.9-178.450.90000113.4L1360 V1361 L1368L1360-S1364 WeakPolarHBondContact O-CB 3.03Å; L1360-S1364 PolarHBondContact O-N 2.57Å; L1360-S1364 PolarHBondContact O-OG 3.04Å; V1361-S1364 PolarHBondContact O-N 3.38Å; V1361-S1364 PolarHBondContact O-OG 2.87Å; V1361-S1364 VanDerWaalsContact O-OG 3.08Å; S1364-L1368 WeakPolarHBondContact O-CD1 3.33Å
1365T78.4Confident78.4Confident19 Ų1920.6 Ų20.612%0.11711%0.108CC..Hα-helixtrans-73.7-33.5-178.857.70000113.1V1361 L1368 A1369 T1501 F1505V1361-T1365 WeakPolarHBondContact O-CG2 3.37Å; V1361-T1365 PolarHBondContact O-N 3.35Å; V1361-T1365 PolarHBondContact O-OG1 2.76Å; V1361-T1365 VanDerWaalsContact O-OG1 3.07Å; T1365-L1368 PolarHBondContact O-N 3.45Å; T1365-A1369 PolarHBondContact O-N 3.23Å; T1365-T1501 HydrophobicContact CG2-CG2 3.9Å; T1365-F1505 WeakPolarHBondContact OG1-CE2 3.26Å; T1365-F1505 WeakPolarHBondContact OG1-CZ 3.39Å
1366T82Confident78Confident0 Ų022.9 Ų22.90%012%0.12CC..Hα-helixtrans-66.7-47.8-170.5-58.30000113.3F1362 L1368 A1369 V1370 I1460 L1591F1362-T1366 WeakPolarHBondContact CD2-OG1 3.5Å; F1362-T1366 VanDerWaalsContact CE2-OG1 3.3Å; F1362-T1366 WeakPolarHBondContact CE2-OG1 3.34Å; F1362-T1366 VanDerWaalsContact O-CB 3.27Å; F1362-T1366 WeakPolarHBondContact O-CB 3.49Å; F1362-T1366 PolarHBondContact O-N 2.89Å; F1362-T1366 PolarHBondContact O-OG1 3.14Å; T1366-L1368 VanDerWaalsContact C-N 3.31Å; T1366-L1368 PolarHBondContact O-N 3.45Å; T1366-A1369 WeakPolarHBondContact O-CB 3.24Å; T1366-A1369 PolarHBondContact O-N 2.86Å; T1366-V1370 WeakPolarHBondContact O-CG2 3.45Å; T1366-V1370 PolarHBondContact O-N 3.07Å; T1366-V1370 VanDerWaalsContact O-N 3.09Å; T1366-I1460 HydrophobicContact CG2-CD1 3.74Å; T1366-I1460 HydrophobicContact CG2-CG1 3.87Å; T1366-L1591 HydrophobicContact CG2-CD1 3.83Å; T1366-L1591 HydrophobicContact CG2-CD2 3.58Å; T1366-L1591 HydrophobicContact CG2-CG 4.32Å
1367P76.2Confident77.6Confident1 Ų123.1 Ų23.11%0.00612%0.121CC..Hα-helixtrans-65.1-32.3176.1-21.233.5000113.6S1363 V1370 G1371 L1456 I1460S1363-P1367 WeakPolarHBondContact O-CD 3.34Å; S1363-P1367 WeakPolarHBondContact O-CG 3.38Å; P1367-V1370 PolarHBondContact O-N 3.33Å; P1367-G1371 PolarHBondContact O-N 3.36Å; P1367-L1456 HydrophobicContact CB-CD2 4.2Å; P1367-L1456 HydrophobicContact CG-CD2 4.47Å; P1367-I1460 HydrophobicContact CG-CD1 4.2Å
1368L74.4Confident77.1Confident78 Ų7819.3 Ų19.341%0.40811%0.108SC..Hα-helixtrans-65.2-40.2174.5-68.7172.7000111.4I258 S1364 T1365 T1366 G1371 L1372I258-L1368 HydrophobicContact CD1-CD1 4.44Å; S1364-L1368 WeakPolarHBondContact O-CD1 3.33Å; T1365-L1368 PolarHBondContact O-N 3.45Å; T1366-L1368 VanDerWaalsContact C-N 3.31Å; T1366-L1368 PolarHBondContact O-N 3.45Å; L1368-G1371 PolarHBondContact O-N 2.97Å; L1368-L1372 WeakPolarHBondContact O-CB 3.41Å; L1368-L1372 PolarHBondContact O-N 3.2Å
1369A79.9Confident76.4Confident9 Ų924.5 Ų24.57%0.07414%0.135CC..Hα-helixtrans-63-40.9173.600000112.2T1365 T1366 L1372 L1373 F1505 L1509T1365-A1369 PolarHBondContact O-N 3.23Å; T1366-A1369 WeakPolarHBondContact O-CB 3.24Å; T1366-A1369 PolarHBondContact O-N 2.86Å; A1369-L1372 PolarHBondContact O-N 2.95Å; A1369-L1373 PolarHBondContact O-N 3.11Å; A1369-F1505 HydrophobicContact CB-CB 4.01Å; A1369-F1505 HydrophobicContact CB-CD1 3.57Å; A1369-F1505 HydrophobicContact CB-CE1 4.22Å; A1369-F1505 HydrophobicContact CB-CG 3.88Å; A1369-L1509 HydrophobicContact CB-CD1 4.04Å; A1369-L1509 HydrophobicContact CB-CD2 4.35Å; A1369-L1509 VanDerWaalsContact O-CD1 3.27Å; A1369-L1509 WeakPolarHBondContact O-CD1 3.49Å
1370V78.7Confident75.6Confident3 Ų326.8 Ų26.82%0.01815%0.146CC..Hα-helixtrans-65.1-45.8176.2176.40000111.4T1366 P1367 L1372 L1373 Q1374 L1455 L1587T1366-V1370 WeakPolarHBondContact O-CG2 3.45Å; T1366-V1370 PolarHBondContact O-N 3.07Å; T1366-V1370 VanDerWaalsContact O-N 3.09Å; P1367-V1370 PolarHBondContact O-N 3.33Å; V1370-L1372 VanDerWaalsContact C-N 3.28Å; V1370-L1372 PolarHBondContact O-N 3.45Å; V1370-L1373 PolarHBondContact O-N 2.99Å; V1370-Q1374 PolarHBondContact O-N 3.4Å; V1370-L1455 HydrophobicContact CB-CD2 4.41Å; V1370-L1455 HydrophobicContact CG1-CD2 3.74Å; V1370-L1455 HydrophobicContact CG2-CD2 3.77Å; V1370-L1587 HydrophobicContact CG2-CD2 4.44Å
1371G73.4Confident74.5Confident4 Ų426.9 Ų26.94%0.04115%0.153CC..Hα-helixtrans-61.8-35.5175.700000113F295 P1367 L1368 Q1374 L1375F295-G1371 WeakPolarHBondContact CZ-O 3.44Å; P1367-G1371 PolarHBondContact O-N 3.36Å; L1368-G1371 PolarHBondContact O-N 2.97Å; G1371-Q1374 PolarHBondContact O-N 2.87Å; G1371-L1375 WeakPolarHBondContact O-CB 3Å; G1371-L1375 PolarHBondContact O-N 2.83Å
1372L77.2Confident73.4Confident70 Ų7028.6 Ų28.637%0.36616%0.162SC..Hα-helixtrans-71.1-31.6175-171.3142000112.8L1368 A1369 V1370 L1375 L1376 L1509L1368-L1372 WeakPolarHBondContact O-CB 3.41Å; L1368-L1372 PolarHBondContact O-N 3.2Å; A1369-L1372 PolarHBondContact O-N 2.95Å; V1370-L1372 VanDerWaalsContact C-N 3.28Å; V1370-L1372 PolarHBondContact O-N 3.45Å; L1372-L1375 WeakPolarHBondContact O-CB 3.26Å; L1372-L1376 HydrophobicContact CD2-CD1 3.65Å; L1372-L1376 HydrophobicContact CD2-CG 4.32Å; L1372-L1376 VanDerWaalsContact O-CG 3.3Å; L1372-L1376 WeakPolarHBondContact O-CG 3.44Å; L1372-L1376 PolarHBondContact O-N 2.81Å; L1372-L1376 VanDerWaalsContact O-N 3.11Å; L1372-L1509 HydrophobicContact CB-CD1 4.47Å; L1372-L1509 HydrophobicContact CD2-CD1 3.68Å
1373L79.3Confident71.8Confident0 Ų031.5 Ų31.50%018%0.181CC..Hα-helixtrans-67.8-47.3169.5-179.759.3000111.3A1369 V1370 L1375 L1376 L1377 F1447 L1509 C1512 L1513 L1587A1369-L1373 PolarHBondContact O-N 3.11Å; V1370-L1373 PolarHBondContact O-N 2.99Å; L1373-L1375 PolarHBondContact O-N 2.92Å; L1373-L1376 PolarHBondContact O-N 2.97Å; L1373-L1376 VanDerWaalsContact O-N 3.15Å; L1373-L1377 HydrophobicContact CD1-CD1 4Å; L1373-L1377 HydrophobicContact CD1-CD2 4.41Å; L1373-L1377 HydrophobicContact CD1-CG 4Å; L1373-L1377 HydrophobicContact CG-CD1 3.96Å; L1373-L1377 HydrophobicContact CG-CG 4.37Å; L1373-L1377 WeakPolarHBondContact O-CG 3.36Å; L1373-L1377 PolarHBondContact O-N 2.96Å; L1373-F1447 HydrophobicContact CD2-CE2 4.12Å; L1373-F1447 HydrophobicContact CD2-CZ 3.9Å; L1373-F1447 HydrophobicContact CG-CE2 4.48Å; L1373-L1509 HydrophobicContact CB-CD2 4.2Å; L1373-L1509 HydrophobicContact CD1-CB 4.48Å; L1373-L1509 HydrophobicContact CD2-CD2 4.49Å; L1373-C1512 HydrophobicContact CD1-CB 4Å; L1373-C1512 HydrophobicContact CD2-CB 3.97Å; L1373-L1513 HydrophobicContact CD1-CB 4.44Å; L1373-L1587 HydrophobicContact CD2-CD1 4.04Å; L1373-L1587 HydrophobicContact CD2-CD2 4.18Å
1374Q75.1Confident70.5Confident10 Ų1033 Ų335%0.04719%0.19CC..Hα-helixtrans-53.7-40.3175-168.3879.800111.4V1370 G1371 L1378 P1445 S1446V1370-Q1374 PolarHBondContact O-N 3.4Å; G1371-Q1374 PolarHBondContact O-N 2.87Å; Q1374-L1378 WeakPolarHBondContact O-CB 3.39Å; Q1374-L1378 PolarHBondContact O-N 2.85Å; Q1374-L1378 VanDerWaalsContact O-N 3.12Å; Q1374-P1445 VanDerWaalsContact NE2-CB 3.26Å; Q1374-S1446 VanDerWaalsContact CD-OG 3.29Å; Q1374-S1446 PolarHBondContact OE1-OG 2.8Å; Q1374-S1446 VanDerWaalsContact OE1-OG 3.12Å
1375L71.5Confident68.9Low40 Ų4038.3 Ų38.321%0.20920%0.204CC..Hα-helixtrans-62.4-51.7175179.159.3000113.1F291 F295 G1371 L1372 L1373 L1377 L1378 I1379F291-L1375 HydrophobicContact CE1-CD1 4.2Å; F291-L1375 HydrophobicContact CE2-CD1 3.53Å; F291-L1375 HydrophobicContact CZ-CD1 3.28Å; F295-L1375 HydrophobicContact CE2-CB 3.8Å; F295-L1375 HydrophobicContact CE2-CD1 4.2Å; F295-L1375 HydrophobicContact CE2-CD2 4.49Å; F295-L1375 HydrophobicContact CE2-CG 4.38Å; F295-L1375 HydrophobicContact CZ-CB 3.86Å; F295-L1375 HydrophobicContact CZ-CD2 4.03Å; F295-L1375 HydrophobicContact CZ-CG 4.37Å; G1371-L1375 WeakPolarHBondContact O-CB 3Å; G1371-L1375 PolarHBondContact O-N 2.83Å; L1372-L1375 WeakPolarHBondContact O-CB 3.26Å; L1373-L1375 PolarHBondContact O-N 2.92Å; L1375-L1377 VanDerWaalsContact C-N 3.3Å; L1375-L1377 PolarHBondContact O-N 3.46Å; L1375-L1378 WeakPolarHBondContact O-CB 3.33Å; L1375-L1378 PolarHBondContact O-N 3Å; L1375-L1378 VanDerWaalsContact O-N 3.14Å; L1375-I1379 HydrophobicContact CD1-CD1 3.97Å; L1375-I1379 HydrophobicContact CD1-CG1 4.36Å; L1375-I1379 HydrophobicContact CG-CD1 3.9Å; L1375-I1379 WeakPolarHBondContact O-CG1 3.48Å; L1375-I1379 PolarHBondContact O-N 3.41Å
1376L74.6Confident67.3Low49 Ų4938.7 Ų38.726%0.25721%0.207SC..Hα-helixtrans-66.5-35-175.4-68.3170.4000111.8L1372 L1373 I1379 I1380 L1510 L1513L1372-L1376 HydrophobicContact CD2-CD1 3.65Å; L1372-L1376 HydrophobicContact CD2-CG 4.32Å; L1372-L1376 VanDerWaalsContact O-CG 3.3Å; L1372-L1376 WeakPolarHBondContact O-CG 3.44Å; L1372-L1376 PolarHBondContact O-N 2.81Å; L1372-L1376 VanDerWaalsContact O-N 3.11Å; L1373-L1376 PolarHBondContact O-N 2.97Å; L1373-L1376 VanDerWaalsContact O-N 3.15Å; L1376-I1379 PolarHBondContact O-N 3.12Å; L1376-I1380 PolarHBondContact O-N 2.91Å; L1376-L1510 HydrophobicContact CD1-CD2 4.45Å; L1376-L1513 HydrophobicContact CB-CD1 3.46Å; L1376-L1513 VanDerWaalsContact CB-CD1 3.46Å; L1376-L1513 HydrophobicContact CD1-CD1 4.35Å; L1376-L1513 HydrophobicContact CG-CD1 4.44Å
1377L72.3Confident65.2Low14 Ų1443.1 Ų43.17%0.07323%0.234CC..Hα-helixtrans-68.4-33.2173.2-62.9177.1000112.3L1373 L1375 I1380 L1513 E1516L1373-L1377 HydrophobicContact CD1-CD1 4Å; L1373-L1377 HydrophobicContact CD1-CD2 4.41Å; L1373-L1377 HydrophobicContact CD1-CG 4Å; L1373-L1377 HydrophobicContact CG-CD1 3.96Å; L1373-L1377 HydrophobicContact CG-CG 4.37Å; L1373-L1377 WeakPolarHBondContact O-CG 3.36Å; L1373-L1377 PolarHBondContact O-N 2.96Å; L1375-L1377 VanDerWaalsContact C-N 3.3Å; L1375-L1377 PolarHBondContact O-N 3.46Å; L1377-I1380 PolarHBondContact O-N 3.43Å; L1377-L1513 HydrophobicContact CD2-CB 4.14Å; L1377-L1513 HydrophobicContact CD2-CD1 4.41Å; L1377-L1513 HydrophobicContact CD2-CG 4.21Å; L1377-E1516 VanDerWaalsContact CD1-OE2 3.27Å; L1377-E1516 WeakPolarHBondContact CD1-OE2 3.38Å; L1377-E1516 HydrophobicContact CD2-CB 4.41Å; L1377-E1516 WeakPolarHBondContact CD2-OE2 3.25Å
1378L67.6Low63.3Low24 Ų2447 Ų4713%0.12625%0.25CS..Hα-helixtrans-65.4-45.7173.3-172.970.2000112.1W290 F291 Q1374 L1375 I1380 G1381 L1443W290-L1378 HydrophobicContact CE3-CD1 4.02Å; W290-L1378 HydrophobicContact CE3-CD2 3.89Å; W290-L1378 HydrophobicContact CH2-CD1 3.53Å; W290-L1378 HydrophobicContact CH2-CD2 4.45Å; W290-L1378 HydrophobicContact CH2-CG 4.43Å; W290-L1378 HydrophobicContact CZ2-CD1 4.05Å; W290-L1378 HydrophobicContact CZ3-CB 4.49Å; W290-L1378 HydrophobicContact CZ3-CD1 3.53Å; W290-L1378 HydrophobicContact CZ3-CD2 3.63Å; W290-L1378 HydrophobicContact CZ3-CG 4.07Å; F291-L1378 HydrophobicContact CD2-CD2 3.72Å; F291-L1378 HydrophobicContact CE2-CD2 4.14Å; Q1374-L1378 WeakPolarHBondContact O-CB 3.39Å; Q1374-L1378 PolarHBondContact O-N 2.85Å; Q1374-L1378 VanDerWaalsContact O-N 3.12Å; L1375-L1378 WeakPolarHBondContact O-CB 3.33Å; L1375-L1378 PolarHBondContact O-N 3Å; L1375-L1378 VanDerWaalsContact O-N 3.14Å; L1378-I1380 PolarHBondContact O-N 3.42Å; L1378-G1381 PolarHBondContact O-N 3.21Å; L1378-G1381 VanDerWaalsContact O-N 3.08Å; L1378-L1443 HydrophobicContact CD1-CB 4.29Å; L1378-L1443 HydrophobicContact CD1-CD2 3.55Å; L1378-L1443 HydrophobicContact CD1-CG 4.48Å
1379I66.8Low61.4Low119 Ų11949.9 Ų49.961%0.6127%0.265SS*.Hα-helixtrans-60.1-26.8-179.1-69.2165.2000111.7L1375 L1376L1375-I1379 HydrophobicContact CD1-CD1 3.97Å; L1375-I1379 HydrophobicContact CD1-CG1 4.36Å; L1375-I1379 HydrophobicContact CG-CD1 3.9Å; L1375-I1379 WeakPolarHBondContact O-CG1 3.48Å; L1375-I1379 PolarHBondContact O-N 3.41Å; L1376-I1379 PolarHBondContact O-N 3.12Å
1380I65.3Low59Low49 Ų4955 Ų5525%0.25129%0.291SS..Hα-helixtrans-76.9-22.3178.9-82.4171.7000113.5L1376 L1377 L1378 L1382 L1513 M1517L1376-I1380 PolarHBondContact O-N 2.91Å; L1377-I1380 PolarHBondContact O-N 3.43Å; L1378-I1380 PolarHBondContact O-N 3.42Å; I1380-L1382 VanDerWaalsContact C-N 3.34Å; I1380-L1382 HydrophobicContact CG2-CD1 3.74Å; I1380-L1382 HydrophobicContact CG2-CG 3.75Å; I1380-L1382 PolarHBondContact O-N 3.17Å; I1380-L1513 HydrophobicContact CD1-CD1 3.54Å; I1380-L1513 HydrophobicContact CD1-CD2 3.82Å; I1380-L1513 HydrophobicContact CD1-CG 3.55Å; I1380-M1517 HydrophobicContact CD1-CG 4.06Å; I1380-M1517 HydrophobicContact CD1-SD 4.21Å; I1380-M1517 HydrophobicContact CG2-SD 3.41Å; I1380-M1517 WeakPolarHBondContact CG2-SD 3.2Å
1381G54.8Low56.7Low27 Ų2761.6 Ų61.628%0.27833%0.326SS..THydrogen-bonded Turntrans64.925.4168.400000116.6L1378 W1441L1378-G1381 PolarHBondContact O-N 3.21Å; L1378-G1381 VanDerWaalsContact O-N 3.08Å; G1381-W1441 WeakPolarHBondContact O-CZ3 3.16Å
1382L54.8Low54.7Low42 Ų4267.2 Ų67.222%0.2236%0.359CS..  trans-59.4137177.4-82.6160.8000111.7I1380 T1384 E1516 M1517 F1520I1380-L1382 VanDerWaalsContact C-N 3.34Å; I1380-L1382 HydrophobicContact CG2-CD1 3.74Å; I1380-L1382 HydrophobicContact CG2-CG 3.75Å; I1380-L1382 PolarHBondContact O-N 3.17Å; L1382-T1384 PolarHBondContact O-N 3.33Å; L1382-E1516 HydrophobicContact CD1-CG 4.16Å; L1382-M1517 HydrophobicContact CD1-SD 3.87Å; L1382-M1517 HydrophobicContact CG-SD 4.35Å; L1382-F1520 HydrophobicContact CD1-CD2 3.67Å; L1382-F1520 HydrophobicContact CD1-CE2 3.9Å; L1382-F1520 HydrophobicContact CD1-CG 4.31Å; L1382-F1520 HydrophobicContact CD2-CB 4.13Å; L1382-F1520 HydrophobicContact CD2-CD1 4.01Å; L1382-F1520 HydrophobicContact CD2-CD2 3.98Å; L1382-F1520 HydrophobicContact CD2-CE1 4.38Å; L1382-F1520 HydrophobicContact CD2-CE2 4.35Å; L1382-F1520 HydrophobicContact CD2-CG 3.79Å; L1382-F1520 HydrophobicContact CG-CD2 4.38Å; L1382-F1520 HydrophobicContact CG-CE2 4.5Å
1383P51.7Low52.3Low62 Ų6274.3 Ų74.340%0.40338%0.381SS..  trans-71.7104.6-17228-34.5000111.7R1385P1383-R1385 VanDerWaalsContact C-N 3.3Å; P1383-R1385 PolarHBondContact O-N 2.96Å
1384T51.7Low50Low32 Ų3279.6 Ų79.620%0.19642%0.418CS..SBendtrans-73.5-14.9-174.643.40000115.1L1382 N1442 E1444L1382-T1384 PolarHBondContact O-N 3.33Å; T1384-N1442 PolarHBondContact OG1-O 3.26Å; T1384-E1444 PolarHBondContact OG1-N 3.06Å
1385R42Very low47.9Very low152 Ų15287.2 Ų87.257%0.57446%0.459SS*.SBendtrans-146.8143.4170.1-66.6-170.1-175.5-167.53.9111.7P1383 E1444P1383-R1385 VanDerWaalsContact C-N 3.3Å; P1383-R1385 PolarHBondContact O-N 2.96Å; R1385-E1444 IonicContact CZ-OE1 2.67Å; R1385-E1444 IonicContact CZ-OE2 3.33Å; R1385-E1444 VanDerWaalsContact CZ-OE2 3.3Å; R1385-E1444 IonicContact NE-OE1 3.81Å; R1385-E1444 IonicContact NE-OE2 2.62Å; R1385-E1444 PolarHBondContact NE-OE2 3.22Å; R1385-E1444 IonicContact NH2-OE1 3.89Å; R1385-E1444 PolarHBondContact NH2-OE1 3.28Å; R1385-E1444 IonicContact NH2-OE2 2.75Å; R1385-E1444 PolarHBondContact NH2-OE2 3.44Å
1386P43.8Very low46Very low28 Ų2891 Ų9118%0.18248%0.483CS..  trans-73.2137159.233.7-34.9000109.9W1403 L1569 L1572P1386-W1403 HydrophobicContact CB-CZ2 4.11Å; P1386-L1569 HydrophobicContact CB-CD1 4.44Å; P1386-L1569 HydrophobicContact CB-CD2 3.79Å; P1386-L1569 HydrophobicContact CB-CG 3.73Å; P1386-L1569 HydrophobicContact CG-CB 4.31Å; P1386-L1569 HydrophobicContact CG-CD2 3.79Å; P1386-L1569 HydrophobicContact CG-CG 3.6Å; P1386-L1572 HydrophobicContact CB-CD2 4.18Å; P1386-L1572 HydrophobicContact CG-CD2 4.13Å
1387V38.7Very low43.8Very low93 Ų9395.5 Ų95.556%0.56450%0.503SS*.  trans-96.3135.6-174.3179.30000111.1
1388F35.7Very low41.9Very low81 Ų81102.8 Ų102.836%0.35554%0.537SS..  trans-104.2123.5162.3-95.1-65000108.8V1566 L1569F1388-V1566 HydrophobicContact CE2-CG2 4.09Å; F1388-V1566 HydrophobicContact CZ-CG2 3.78Å; F1388-L1569 HydrophobicContact CD2-CD2 3.61Å; F1388-L1569 HydrophobicContact CE2-CD2 3.5Å; F1388-L1569 HydrophobicContact CG-CD2 4.34Å; F1388-L1569 HydrophobicContact CZ-CD2 4.13Å
1389L34Very low40.2Very low139 Ų139105.2 Ų105.273%0.72857%0.567SS**  trans-94.2118.2161-87.2163.7000108.6
1390I30.5Very low38.6Very low118 Ų118106.4 Ų106.461%0.60557%0.57SS**  trans-118.995.3165.8-58.5176.7000105.4V1392I1390-V1392 HydrophobicContact CG2-CG2 4.16Å
1391D30.5Very low37.3Very low141 Ų141107.3 Ų107.375%0.75458%0.575SS**  trans-78.7130.4172.7-163.1-7.6000109.4
1392V29.9Very low36.4Very low121 Ų121111.2 Ų111.273%0.73359%0.588SS**  trans-109.354-173.5-168.70000109.5I1390I1390-V1392 HydrophobicContact CG2-CG2 4.16Å
1393R28.3Very low35.7Very low219 Ų219114 Ų11483%0.82660%0.596SS**SBendtrans-161.1142.8162.9-112.6156.7-173.3-1720.2114.4
1394S30.7Very low35.1Very low111 Ų111116.1 Ų116.178%0.77660%0.604SS**SBendtrans75.3150174.982.10000117.2V1396S1394-V1396 PolarHBondContact O-N 3.11Å
1395N30Very low34.4Very low171 Ų171117.5 Ų117.591%0.91461%0.613SS**SBendtrans-101.168.5-164.1-69.4-12.7000113.1
1396V31.4Very low34.4Very low120 Ų120113.4 Ų113.473%0.72761%0.605SS**  trans-139.2126.4164.4-176.50000110S1394 Q1398S1394-V1396 PolarHBondContact O-N 3.11Å; V1396-Q1398 PolarHBondContact O-N 3.2Å; V1396-Q1398 VanDerWaalsContact O-N 3.08Å
1397Q29.8Very low34.3Very low142 Ų142119.5 Ų119.566%0.66463%0.631SS**  trans-84.172.1-178-72.3-169-15.800113.4
1398Q31.6Very low34.7Very low168 Ų168117.9 Ų117.979%0.78562%0.622SS**  trans-129.282.9166.8-74.3-170.4-20.800111.7V1396V1396-Q1398 PolarHBondContact O-N 3.2Å; V1396-Q1398 VanDerWaalsContact O-N 3.08Å
1399G32.1Very low35Very low74 Ų74119.2 Ų119.276%0.76363%0.628SS**  trans-88.8107.1160.100000109.7
1400E33.5Very low35.3Very low145 Ų145121.2 Ų121.268%0.67863%0.626SS**  trans-81.6136.6166.8-70-162.9124.300110.4
1401L37Very low36Very low67 Ų67116.9 Ų116.935%0.35161%0.606SS.*  trans-11494.8-179.6-179.4130.2000108.7W1403 F1533L1401-W1403 PolarHBondContact O-N 3.01Å; L1401-F1533 HydrophobicContact CD1-CE1 3.83Å; L1401-F1533 HydrophobicContact CD1-CZ 4.32Å; L1401-F1533 HydrophobicContact CD2-CD1 3.56Å; L1401-F1533 HydrophobicContact CD2-CE1 3.37Å; L1401-F1533 HydrophobicContact CD2-CG 4.4Å; L1401-F1533 HydrophobicContact CD2-CZ 4.1Å; L1401-F1533 HydrophobicContact CG-CE1 4.23Å
1402I36.1Very low36.7Very low109 Ų109116.1 Ų116.156%0.55961%0.606SS**  trans-83.1115.1177.1-57.3177.2000108.4Y1437I1402-Y1437 HydrophobicContact CD1-CE2 4.3Å
1403W41.3Very low37.2Very low100 Ų100115.1 Ų115.138%0.37960%0.596SS.*  trans-109.1150.2168.5-114.182000109.4P1386 L1401 P1405 L1526 L1572P1386-W1403 HydrophobicContact CB-CZ2 4.11Å; L1401-W1403 PolarHBondContact O-N 3.01Å; W1403-P1405 WeakPolarHBondContact O-CD 3.45Å; W1403-L1526 HydrophobicContact CZ3-CD2 4.41Å; W1403-L1572 HydrophobicContact CH2-CD2 3.54Å; W1403-L1572 HydrophobicContact CZ2-CD2 3.52Å
1404L38.3Very low37.8Very low108 Ų108112.4 Ų112.457%0.56559%0.59SS**  trans-63.5124.8166.7-92.475.8000108.4F1409L1404-F1409 HydrophobicContact CD2-CD2 4.5Å
1405P37.5Very low37.8Very low61 Ų61110.5 Ų110.540%0.39659%0.588SS.*  trans-68.7150.2165.77.74.6000109.1W1403 E1407 P1408W1403-P1405 WeakPolarHBondContact O-CD 3.45Å; P1405-E1407 PolarHBondContact O-N 3.32Å; P1405-P1408 HydrophobicContact CB-CG 4.31Å; P1405-P1408 HydrophobicContact CG-CG 3.92Å; P1405-P1408 VanDerWaalsContact O-CD 3.3Å; P1405-P1408 WeakPolarHBondContact O-CD 3.47Å; P1405-P1408 WeakPolarHBondContact O-CG 3.4Å
1406V42.6Very low37.9Very low65 Ų65105.8 Ų105.839%0.39457%0.569SS.*Hα-helixtrans-69.2-23.7177.71790000111.5R1410V1406-R1410 PolarHBondContact O-N 2.96Å
1407E41Very low38.5Very low157 Ų157105.4 Ų105.473%0.73457%0.571SS**Hα-helixtrans-67.3-50.9-174.2-56.2-167.9143.400115.6P1405 F1409 R1410 S1411P1405-E1407 PolarHBondContact O-N 3.32Å; E1407-F1409 VanDerWaalsContact C-N 3.28Å; E1407-F1409 PolarHBondContact O-N 3Å; E1407-R1410 WeakPolarHBondContact O-CB 3.42Å; E1407-R1410 PolarHBondContact O-N 2.65Å; E1407-S1411 PolarHBondContact O-N 2.84Å; E1407-S1411 PolarHBondContact O-OG 3.2Å
1408P46.8Very low38.9Very low58 Ų58105.4 Ų105.438%0.37757%0.571SS.*Hα-helixtrans-58.9-34.5179.220.7-33.8000113.6P1405 R1410 S1411 V1412P1405-P1408 HydrophobicContact CB-CG 4.31Å; P1405-P1408 HydrophobicContact CG-CG 3.92Å; P1405-P1408 VanDerWaalsContact O-CD 3.3Å; P1405-P1408 WeakPolarHBondContact O-CD 3.47Å; P1405-P1408 WeakPolarHBondContact O-CG 3.4Å; P1408-R1410 VanDerWaalsContact C-N 3.3Å; P1408-R1410 PolarHBondContact O-N 2.95Å; P1408-S1411 WeakPolarHBondContact CA-OG 3.17Å; P1408-S1411 PolarHBondContact O-N 3.03Å; P1408-S1411 PolarHBondContact O-OG 3.01Å; P1408-V1412 VanDerWaalsContact O-CB 3.31Å; P1408-V1412 WeakPolarHBondContact O-CB 3.09Å; P1408-V1412 WeakPolarHBondContact O-CG2 3.49Å; P1408-V1412 PolarHBondContact O-N 2.96Å
1409F41.1Very low39.3Very low109 Ų109101.9 Ų101.948%0.47856%0.557SS.*Hα-helixtrans-70.2-30.1177.4-131.2-79.7000112.2L1404 E1407 I1413L1404-F1409 HydrophobicContact CD2-CD2 4.5Å; E1407-F1409 VanDerWaalsContact C-N 3.28Å; E1407-F1409 PolarHBondContact O-N 3Å; F1409-I1413 HydrophobicContact CD1-CD1 4.17Å; F1409-I1413 HydrophobicContact CE1-CD1 4.36Å
1410R40.6Very low39.7Very low181 Ų181107.5 Ų107.568%0.68356%0.561SS**Hα-helixtrans-76.1-40.6175.5-160.3173.4-174.2167.61.6111.5V1406 E1407 P1408 F1414V1406-R1410 PolarHBondContact O-N 2.96Å; E1407-R1410 WeakPolarHBondContact O-CB 3.42Å; E1407-R1410 PolarHBondContact O-N 2.65Å; P1408-R1410 VanDerWaalsContact C-N 3.3Å; P1408-R1410 PolarHBondContact O-N 2.95Å; R1410-F1414 PolarHBondContact O-N 3.16Å
1411S45.3Very low40.1Very low28 Ų28103.7 Ų103.720%0.19655%0.55CS..Hα-helixtrans-81.4-21.5-179.461.40000114.8E1407 P1408 I1413 F1414 G1415E1407-S1411 PolarHBondContact O-N 2.84Å; E1407-S1411 PolarHBondContact O-OG 3.2Å; P1408-S1411 WeakPolarHBondContact CA-OG 3.17Å; P1408-S1411 PolarHBondContact O-N 3.03Å; P1408-S1411 PolarHBondContact O-OG 3.01Å; S1411-I1413 VanDerWaalsContact C-N 3.35Å; S1411-F1414 CarbonylContact O-C 3.56Å; S1411-G1415 VanDerWaalsContact O-CA 3.25Å; S1411-G1415 WeakPolarHBondContact O-CA 3.48Å; S1411-G1415 PolarHBondContact O-N 2.93Å
1412V46.3Very low40.1Very low124 Ų124106.1 Ų106.175%0.75256%0.563SS**Hα-helixtrans-71.8-29.8170.3166.40000111.9P1408P1408-V1412 VanDerWaalsContact O-CB 3.31Å; P1408-V1412 WeakPolarHBondContact O-CB 3.09Å; P1408-V1412 WeakPolarHBondContact O-CG2 3.49Å; P1408-V1412 PolarHBondContact O-N 2.96Å
1413I40.8Very low40.2Very low100 Ų100107.6 Ų107.651%0.51357%0.572SS.*Hα-helixtrans-88.9-37.6176.9-62.1175.3000111.4F1409 S1411F1409-I1413 HydrophobicContact CD1-CD1 4.17Å; F1409-I1413 HydrophobicContact CE1-CD1 4.36Å; S1411-I1413 VanDerWaalsContact C-N 3.35Å
1414F39.1Very low40.2Very low162 Ų162107.3 Ų107.371%0.71159%0.585SS**THydrogen-bonded Turntrans-113.885.6175.3-62-83.6000109.6R1410 S1411R1410-F1414 PolarHBondContact O-N 3.16Å; S1411-F1414 CarbonylContact O-C 3.56Å
1415G31.9Very low40.1Very low71 Ų71110.6 Ų110.673%0.73260%0.595SS**THydrogen-bonded Turntrans-59.9135.3-162.600000117.6S1411S1411-G1415 VanDerWaalsContact O-CA 3.25Å; S1411-G1415 WeakPolarHBondContact O-CA 3.48Å; S1411-G1415 PolarHBondContact O-N 2.93Å
1416S32.7Very low40Very low73 Ų73112.7 Ų112.751%0.5161%0.606SS.*  trans-137.9133148.964.10000109.8E1418S1416-E1418 VanDerWaalsContact C-N 3.34Å; S1416-E1418 PolarHBondContact O-N 3.31Å
1417S42.5Very low39.4Very low112 Ų112116.3 Ų116.378%0.78362%0.624SS**THydrogen-bonded Turntrans-84.92.5-165.849.50000115.5
1418E39.2Very low39.1Very low142 Ų142117.7 Ų117.766%0.66463%0.627SS**THydrogen-bonded Turntrans-88-16.9-165.1-59.4-175.313400114.5S1416 F1420 S1421S1416-E1418 VanDerWaalsContact C-N 3.34Å; S1416-E1418 PolarHBondContact O-N 3.31Å; E1418-F1420 PolarHBondContact O-N 3.33Å; E1418-S1421 PolarHBondContact O-N 3.14Å; E1418-S1421 PolarHBondContact O-OG 3.48Å
1419I40.6Very low38.6Very low94 Ų94122.9 Ų122.948%0.48265%0.646SS.*Hα-helixtrans-68.6-36.9-178.7-60.6177.4000111.2S1421 N1422 L1423I1419-S1421 VanDerWaalsContact C-N 3.31Å; I1419-S1421 PolarHBondContact O-N 3.37Å; I1419-N1422 PolarHBondContact O-N 2.82Å; I1419-L1423 PolarHBondContact O-N 2.71Å
1420F39.2Very low38.5Very low192 Ų192123.1 Ų123.184%0.84266%0.656SS**Hα-helixtrans-67.2-28.4-179.1-115-82.7000113.5E1418E1418-F1420 PolarHBondContact O-N 3.33Å
1421S41.6Very low38.3Very low64 Ų64120.9 Ų120.945%0.44866%0.657SS.*Hα-helixtrans-69.9-36.7175.623.10000113E1418 I1419 S1424E1418-S1421 PolarHBondContact O-N 3.14Å; E1418-S1421 PolarHBondContact O-OG 3.48Å; I1419-S1421 VanDerWaalsContact C-N 3.31Å; I1419-S1421 PolarHBondContact O-N 3.37Å; S1421-S1424 PolarHBondContact O-OG 2.82Å
1422N37.7Very low37.6Very low119 Ų119125.7 Ų125.764%0.63668%0.679SS**Hα-helixtrans-80.6-29.1-173.8-72.1-17.2000113.2I1419 S1424I1419-N1422 PolarHBondContact O-N 2.82Å; N1422-S1424 PolarHBondContact O-N 3.44Å; N1422-S1424 VanDerWaalsContact O-N 3.15Å
1423L38.8Very low37Very low140 Ų140124 Ų12473%0.73367%0.666SS**THydrogen-bonded Turntrans-66-13.1175.5-126.476000114I1419I1419-L1423 PolarHBondContact O-N 2.71Å
1424S40.9Very low36.7Very low93 Ų93126.1 Ų126.165%0.6568%0.677SS**THydrogen-bonded Turntrans-86.20.7-175.471.60000115.4S1421 N1422S1421-S1424 PolarHBondContact O-OG 2.82Å; N1422-S1424 PolarHBondContact O-N 3.44Å; N1422-S1424 VanDerWaalsContact O-N 3.15Å
1425K36.5Very low36.4Very low178 Ų178125 Ų12577%0.77468%0.678SS**SBendtrans-121.11.7-166.4-76.3-175.4175.4177.10116.6
1426T33.9Very low36.5Very low105 Ų105127.8 Ų127.864%0.64467%0.672SS**SBendtrans-110.5126.5-179.550.40000112.3
1427D31.3Very low36.6Very low141 Ų141129.3 Ų129.375%0.75467%0.667SS**  trans-10.7144.3-176.2-66.9-57.9000123.3H1429 T1430D1427-H1429 PolarHBondContact O-N 3.35Å; D1427-T1430 PolarHBondContact O-OG1 2.95Å
1428K33.6Very low36.4Very low185 Ų185125.7 Ų125.780%0.80464%0.642SS**THydrogen-bonded Turntrans-70.410.6-167.6-62.8179.6178176.10117
1429H36.7Very low36.4Very low167 Ų167120.7 Ų120.777%0.77362%0.622SS**THydrogen-bonded Turntrans-105.9-11.3-176.1-82.7-73.5000115.2D1427D1427-H1429 PolarHBondContact O-N 3.35Å
1430T40.2Very low36.4Very low114 Ų114120.9 Ų120.970%0.69963%0.625SS**THydrogen-bonded Turntrans-94.214.7179.349.40000114.3D1427 I1432D1427-T1430 PolarHBondContact O-OG1 2.95Å; T1430-I1432 VanDerWaalsContact C-N 3.34Å
1431I35Very low36.6Very low135 Ų135118.2 Ų118.269%0.69261%0.609SS**THydrogen-bonded Turntrans-83.2-13.6178.4-64.8174.2000111.9
1432I31.6Very low36.8Very low129 Ų129120.7 Ų120.766%0.66262%0.617SS**THydrogen-bonded Turntrans-72140176.2-61.1174.9000109.7T1430 L1434T1430-I1432 VanDerWaalsContact C-N 3.34Å; I1432-L1434 PolarHBondContact O-N 3.09Å
1433N34.1Very low37.3Very low89 Ų89116.9 Ų116.948%0.47660%0.597SS.*THydrogen-bonded Turntrans73.73.6172.6-64.5-15.1000120.7Q1436 Y1437N1433-Q1436 PolarHBondContact OD1-OE1 3.45Å; N1433-Y1437 WeakPolarHBondContact O-CB 3.38Å; N1433-Y1437 PolarHBondContact O-N 3.28Å
1434L34Very low37.9Very low143 Ų143113.8 Ų113.875%0.74958%0.578SS**Hα-helixtrans-78.4-43.4170.8-130.1167000112.7I1432 Q1436 Y1437I1432-L1434 PolarHBondContact O-N 3.09Å; L1434-Q1436 VanDerWaalsContact C-N 3.29Å; L1434-Q1436 PolarHBondContact O-N 3.47Å; L1434-Y1437 WeakPolarHBondContact O-CB 3.25Å; L1434-Y1437 PolarHBondContact O-N 2.97Å
1435L32.5Very low38.5Very low138 Ų138111.4 Ų111.472%0.72356%0.561SS**Hα-helixtrans-67.7-28.9169.9-87161000112.9Q283 S1438Q283-L1435 PolarHBondContact NE2-O 2.75Å; L1435-S1438 PolarHBondContact O-OG 2.71Å
1436Q33.7Very low39.9Very low131 Ų131103.6 Ų103.661%0.61253%0.528SS*.Hα-helixtrans-81.2-18.2178.8-150.6160-15.800112.2N1433 L1434 S1438 S1439N1433-Q1436 PolarHBondContact OD1-OE1 3.45Å; L1434-Q1436 VanDerWaalsContact C-N 3.29Å; L1434-Q1436 PolarHBondContact O-N 3.47Å; Q1436-S1438 VanDerWaalsContact C-N 3.34Å; Q1436-S1439 WeakPolarHBondContact O-CB 3.41Å; Q1436-S1439 PolarHBondContact O-N 2.88Å; Q1436-S1439 PolarHBondContact O-OG 3.04Å
1437Y35Very low41.7Very low104 Ų10498.9 Ų98.941%0.40850%0.499SS..Hα-helixtrans-68.6-28.2173.2-125.9-96.3000113.3I1402 N1433 L1434 S1439I1402-Y1437 HydrophobicContact CD1-CE2 4.3Å; N1433-Y1437 WeakPolarHBondContact O-CB 3.38Å; N1433-Y1437 PolarHBondContact O-N 3.28Å; L1434-Y1437 WeakPolarHBondContact O-CB 3.25Å; L1434-Y1437 PolarHBondContact O-N 2.97Å; Y1437-S1439 PolarHBondContact O-N 3.37Å
1438S39.3Very low43.6Very low36 Ų3695 Ų9525%0.25248%0.483SS..THydrogen-bonded Turntrans-78.72.2178.964.90000114.2Q283 L1435 Q1436Q283-S1438 VanDerWaalsContact CD-C 3.47Å; Q283-S1438 VanDerWaalsContact CD-O 3.23Å; Q283-S1438 VanDerWaalsContact NE2-C 3.33Å; Q283-S1438 PolarHBondContact NE2-OG 3.37Å; Q283-S1438 PolarHBondContact OE1-O 3.28Å; Q283-S1438 PolarHBondContact OE1-OG 3Å; L1435-S1438 PolarHBondContact O-OG 2.71Å; Q1436-S1438 VanDerWaalsContact C-N 3.34Å
1439S39.2Very low45.2Very low37 Ų3790.9 Ų90.926%0.25947%0.469SS..THydrogen-bonded Turntrans-72.4-35.6176.4-38.20000113.3R286 Q1436 Y1437R286-S1439 PolarHBondContact NH1-O 3.23Å; Q1436-S1439 WeakPolarHBondContact O-CB 3.41Å; Q1436-S1439 PolarHBondContact O-N 2.88Å; Q1436-S1439 PolarHBondContact O-OG 3.04Å; Y1437-S1439 PolarHBondContact O-N 3.37Å
1440D38.9Very low47Very low99 Ų9985.3 Ų85.353%0.52946%0.457SS..  trans-113.432.4-165.4-71.6-32.7000113.7R286 N1442R286-D1440 IonicContact CZ-OD1 3.82Å; R286-D1440 IonicContact NH1-OD1 2.77Å; R286-D1440 PolarHBondContact NH1-OD1 2.74Å; R286-D1440 IonicContact NH2-OD1 3.98Å; D1440-N1442 PolarHBondContact O-N 3.21Å
1441W44.3Very low48.8Very low136 Ų13680.6 Ų80.652%0.51543%0.427SS..  trans-61.587.3156.9-70.393.7000109.5G1381 L1443G1381-W1441 WeakPolarHBondContact O-CZ3 3.16Å; W1441-L1443 HydrophobicContact CB-CD1 3.77Å; W1441-L1443 HydrophobicContact CB-CG 4.32Å; W1441-L1443 WeakPolarHBondContact O-CD1 3.3Å; W1441-L1443 PolarHBondContact O-N 3.34Å
1442N44.8Very low50.7Low116 Ų11675.3 Ų75.362%0.6240%0.4SS*.  trans-73.973.9162.5-76.7-67.3000108.5T1384 D1440 E1444T1384-N1442 PolarHBondContact OG1-O 3.26Å; D1440-N1442 PolarHBondContact O-N 3.21Å; N1442-E1444 PolarHBondContact O-N 3.13Å; N1442-E1444 VanDerWaalsContact O-N 3.08Å
1443L49.2Very low52.8Low38 Ų3874.3 Ų74.320%0.19939%0.391CS..  trans-60.4112.4169-61.7110.3000107.2L287 W290 L1378 W1441L287-L1443 HydrophobicContact CD1-CD1 3.76Å; L287-L1443 HydrophobicContact CD1-CD2 4.35Å; W290-L1443 PolarHBondContact NE1-O 3.35Å; L1378-L1443 HydrophobicContact CD1-CB 4.29Å; L1378-L1443 HydrophobicContact CD1-CD2 3.55Å; L1378-L1443 HydrophobicContact CD1-CG 4.48Å; W1441-L1443 HydrophobicContact CB-CD1 3.77Å; W1441-L1443 HydrophobicContact CB-CG 4.32Å; W1441-L1443 WeakPolarHBondContact O-CD1 3.3Å; W1441-L1443 PolarHBondContact O-N 3.34Å
1444E50.6Low55.1Low75 Ų7574.1 Ų74.135%0.3538%0.384SS..  trans-96.7142.4171.1-73.9-166.1122.500109.6T1384 R1385 N1442 S1446T1384-E1444 PolarHBondContact OG1-N 3.06Å; R1385-E1444 IonicContact CZ-OE1 2.67Å; R1385-E1444 IonicContact CZ-OE2 3.33Å; R1385-E1444 VanDerWaalsContact CZ-OE2 3.3Å; R1385-E1444 IonicContact NE-OE1 3.81Å; R1385-E1444 IonicContact NE-OE2 2.62Å; R1385-E1444 PolarHBondContact NE-OE2 3.22Å; R1385-E1444 IonicContact NH2-OE1 3.89Å; R1385-E1444 PolarHBondContact NH2-OE1 3.28Å; R1385-E1444 IonicContact NH2-OE2 2.75Å; R1385-E1444 PolarHBondContact NH2-OE2 3.44Å; N1442-E1444 PolarHBondContact O-N 3.13Å; N1442-E1444 VanDerWaalsContact O-N 3.08Å; E1444-S1446 PolarHBondContact O-N 3.44Å
1445P55.1Low57.5Low43 Ų4367.4 Ų67.428%0.27935%0.348SS..  trans-54.9139.6-176.523.1-34.1000111.3W290 Q1374 F1447 K1580W290-P1445 HydrophobicContact CH2-CB 4.3Å; W290-P1445 VanDerWaalsContact CZ2-CA 3.45Å; W290-P1445 HydrophobicContact CZ2-CB 3.94Å; Q1374-P1445 VanDerWaalsContact NE2-CB 3.26Å; P1445-F1447 WeakPolarHBondContact CB-O 3.43Å; P1445-F1447 PolarHBondContact O-N 3.23Å; P1445-K1580 PolarHBondContact O-NZ 3.41Å
1446S64.9Low59.6Low14 Ų1461.1 Ų61.110%0.09832%0.315CS..SBendtrans-59.5-49.4-176.943.80000110Q1374 E1444 K1580Q1374-S1446 VanDerWaalsContact CD-OG 3.29Å; Q1374-S1446 PolarHBondContact OE1-OG 2.8Å; Q1374-S1446 VanDerWaalsContact OE1-OG 3.12Å; E1444-S1446 PolarHBondContact O-N 3.44Å; S1446-K1580 WeakPolarHBondContact O-CD 3.27Å; S1446-K1580 WeakPolarHBondContact O-CE 3.3Å; S1446-K1580 WeakPolarHBondContact O-CG 3.46Å; S1446-K1580 PolarHBondContact O-NZ 2.78Å
1447F71.9Confident61.7Low6 Ų658.1 Ų58.13%0.02630%0.3CS..SBendtrans-88.3141.8164.7-52.8-52000112.6L1373 P1445 Q1451 I1583 F1584 L1587L1373-F1447 HydrophobicContact CD2-CE2 4.12Å; L1373-F1447 HydrophobicContact CD2-CZ 3.9Å; L1373-F1447 HydrophobicContact CG-CE2 4.48Å; P1445-F1447 WeakPolarHBondContact CB-O 3.43Å; P1445-F1447 PolarHBondContact O-N 3.23Å; F1447-Q1451 HydrophobicContact CB-CB 4.42Å; F1447-I1583 HydrophobicContact CE1-CG2 4.46Å; F1447-F1584 HydrophobicContact CD1-CB 3.93Å; F1447-F1584 AromaticContact CD1-CD2 3.72Å; F1447-F1584 HydrophobicContact CD1-CD2 3.72Å; F1447-F1584 HydrophobicContact CD1-CG 4.25Å; F1447-F1584 HydrophobicContact CE1-CB 3.85Å; F1447-F1584 HydrophobicContact CE1-CD2 4.01Å; F1447-F1584 HydrophobicContact CE1-CG 4.44Å; F1447-F1584 HydrophobicContact CG-CD2 4.13Å; F1447-L1587 HydrophobicContact CE2-CD2 3.98Å; F1447-L1587 HydrophobicContact CZ-CD2 3.89Å
1448S70.8Confident64Low60 Ų6056.2 Ų56.242%0.4230%0.297SS..  trans-73.4158.8175.575.40000112.3G1450 Q1451 L1452S1448-G1450 PolarHBondContact O-N 2.83Å; S1448-Q1451 WeakPolarHBondContact O-CB 3.09Å; S1448-Q1451 PolarHBondContact O-N 3.06Å; S1448-Q1451 VanDerWaalsContact O-N 3.12Å; S1448-Q1451 WeakPolarHBondContact OG-CG 3.22Å; S1448-Q1451 PolarHBondContact OG-N 3.15Å; S1448-Q1451 PolarHBondContact OG-OE1 2.95Å; S1448-L1452 PolarHBondContact O-N 2.82Å
1449I68.2Low66.4Low99 Ų9954.5 Ų54.551%0.50829%0.285SS..Hα-helixtrans-57.6-36.2178.4-61.8170.9000111.5I68 L1452 F1453I68-I1449 HydrophobicContact CG2-CD1 3.45Å; I68-I1449 VanDerWaalsContact CG2-CD1 3.45Å; I1449-L1452 PolarHBondContact O-N 2.95Å; I1449-F1453 WeakPolarHBondContact O-CB 3.42Å; I1449-F1453 PolarHBondContact O-N 3.29Å
1450G73.3Confident68.6Low50 Ų5052.8 Ų52.852%0.51527%0.272SS..Hα-helixtrans-68.4-41.3176.400000113.5S1448 F1453 W1454S1448-G1450 PolarHBondContact O-N 2.83Å; G1450-F1453 PolarHBondContact O-N 2.88Å; G1450-W1454 WeakPolarHBondContact O-CB 3.48Å; G1450-W1454 PolarHBondContact O-N 2.99Å
1451Q78.8Confident70.8Confident14 Ų1448.6 Ų48.67%0.06525%0.251CS..Hα-helixtrans-62.7-45.7173-75.5167.4-19.100111F1447 S1448 F1453 W1454 L1455 D1581 F1584F1447-Q1451 HydrophobicContact CB-CB 4.42Å; S1448-Q1451 WeakPolarHBondContact O-CB 3.09Å; S1448-Q1451 PolarHBondContact O-N 3.06Å; S1448-Q1451 VanDerWaalsContact O-N 3.12Å; S1448-Q1451 WeakPolarHBondContact OG-CG 3.22Å; S1448-Q1451 PolarHBondContact OG-N 3.15Å; S1448-Q1451 PolarHBondContact OG-OE1 2.95Å; Q1451-F1453 VanDerWaalsContact C-N 3.35Å; Q1451-F1453 PolarHBondContact O-N 3.44Å; Q1451-W1454 PolarHBondContact O-N 3.46Å; Q1451-L1455 WeakPolarHBondContact O-CB 3.39Å; Q1451-L1455 PolarHBondContact O-N 2.96Å; Q1451-D1581 PolarHBondContact NE2-OD1 3.4Å; Q1451-F1584 HydrophobicContact CB-CD1 4.31Å; Q1451-F1584 HydrophobicContact CB-CD2 4.08Å; Q1451-F1584 HydrophobicContact CB-CE1 3.96Å; Q1451-F1584 HydrophobicContact CB-CE2 3.71Å; Q1451-F1584 HydrophobicContact CB-CG 4.36Å; Q1451-F1584 HydrophobicContact CB-CZ 3.65Å; Q1451-F1584 HydrophobicContact CG-CD1 3.92Å; Q1451-F1584 HydrophobicContact CG-CD2 4.42Å; Q1451-F1584 HydrophobicContact CG-CE1 3.88Å; Q1451-F1584 HydrophobicContact CG-CE2 4.38Å; Q1451-F1584 HydrophobicContact CG-CG 4.2Å; Q1451-F1584 HydrophobicContact CG-CZ 4.12Å; Q1451-F1584 VanDerWaalsContact O-CZ 3.28Å; Q1451-F1584 WeakPolarHBondContact O-CZ 3.46Å
1452L73.8Confident72.9Confident25 Ų2544.5 Ų44.513%0.13124%0.243CC..Hα-helixtrans-61.6-43.2178.5-153.887.7000111.4V297 V298 S1448 I1449 L1455 L1456V297-L1452 HydrophobicContact CG1-CD2 4.12Å; V298-L1452 HydrophobicContact CG2-CD1 4.3Å; V298-L1452 HydrophobicContact CG2-CD2 4.1Å; S1448-L1452 PolarHBondContact O-N 2.82Å; I1449-L1452 PolarHBondContact O-N 2.95Å; L1452-L1455 PolarHBondContact O-N 2.84Å; L1452-L1456 HydrophobicContact CD2-CD1 3.91Å; L1452-L1456 HydrophobicContact CG-CD1 3.75Å; L1452-L1456 WeakPolarHBondContact O-CB 3.2Å; L1452-L1456 WeakPolarHBondContact O-CD1 3.48Å; L1452-L1456 VanDerWaalsContact O-CG 3.3Å; L1452-L1456 WeakPolarHBondContact O-CG 3.31Å; L1452-L1456 PolarHBondContact O-N 3.28Å
1453F76Confident75Confident108 Ų10839 Ų3947%0.47421%0.214SC..Hα-helixtrans-61.3-50.2175.7-177.5-89.4000111.9I1449 G1450 Q1451 L1455 L1456 F1457I1449-F1453 WeakPolarHBondContact O-CB 3.42Å; I1449-F1453 PolarHBondContact O-N 3.29Å; G1450-F1453 PolarHBondContact O-N 2.88Å; Q1451-F1453 VanDerWaalsContact C-N 3.35Å; Q1451-F1453 PolarHBondContact O-N 3.44Å; F1453-L1455 VanDerWaalsContact C-N 3.3Å; F1453-L1455 PolarHBondContact O-N 3.35Å; F1453-L1456 PolarHBondContact O-N 3.34Å; F1453-F1457 HydrophobicContact CD1-CD2 4.49Å; F1453-F1457 AromaticContact CD2-CD2 3.41Å; F1453-F1457 HydrophobicContact CD2-CD2 3.41Å; F1453-F1457 VanDerWaalsContact CD2-CD2 3.41Å; F1453-F1457 AromaticContact CD2-CE2 3.6Å; F1453-F1457 HydrophobicContact CD2-CE2 3.6Å; F1453-F1457 HydrophobicContact CD2-CG 4.35Å; F1453-F1457 AromaticContact CE2-CD2 3.52Å; F1453-F1457 HydrophobicContact CE2-CD2 3.52Å; F1453-F1457 AromaticContact CE2-CE2 3.73Å; F1453-F1457 HydrophobicContact CE2-CE2 3.73Å; F1453-F1457 HydrophobicContact CE2-CG 4.08Å; F1453-F1457 HydrophobicContact CE2-CZ 4.44Å; F1453-F1457 AromaticContact CG-CD2 3.92Å; F1453-F1457 HydrophobicContact CG-CD2 3.92Å; F1453-F1457 HydrophobicContact CG-CE2 4.47Å; F1453-F1457 HydrophobicContact CZ-CB 4.44Å; F1453-F1457 HydrophobicContact CZ-CD2 4.13Å; F1453-F1457 HydrophobicContact CZ-CG 4.31Å; F1453-F1457 WeakPolarHBondContact O-CB 3.26Å; F1453-F1457 WeakPolarHBondContact O-CD2 3.3Å; F1453-F1457 PolarHBondContact O-N 2.74Å
1454W83.8Confident76.9Confident85 Ų8537.2 Ų37.232%0.32220%0.204SC..Hα-helixtrans-56.7-43.5177.1177.3-104.6000112.2G1450 Q1451 I1458 V1459 H1627G1450-W1454 WeakPolarHBondContact O-CB 3.48Å; G1450-W1454 PolarHBondContact O-N 2.99Å; Q1451-W1454 PolarHBondContact O-N 3.46Å; W1454-I1458 HydrophobicContact CD2-CB 4.48Å; W1454-I1458 HydrophobicContact CD2-CD1 4.46Å; W1454-I1458 HydrophobicContact CE3-CB 4.26Å; W1454-I1458 HydrophobicContact CE3-CD1 3.49Å; W1454-I1458 VanDerWaalsContact CE3-CD1 3.49Å; W1454-I1458 HydrophobicContact CE3-CG1 4.43Å; W1454-I1458 HydrophobicContact CE3-CG2 4.32Å; W1454-I1458 HydrophobicContact CH2-CD1 4.46Å; W1454-I1458 HydrophobicContact CH2-CG2 4.02Å; W1454-I1458 HydrophobicContact CZ2-CG2 4.27Å; W1454-I1458 HydrophobicContact CZ3-CB 4.44Å; W1454-I1458 HydrophobicContact CZ3-CD1 3.49Å; W1454-I1458 VanDerWaalsContact CZ3-CD1 3.49Å; W1454-I1458 HydrophobicContact CZ3-CG2 4.06Å; W1454-I1458 WeakPolarHBondContact O-CB 3.27Å; W1454-I1458 PolarHBondContact O-N 3.47Å; W1454-I1458 VanDerWaalsContact O-N 3.13Å; W1454-V1459 HydrophobicContact CG-CG2 4.47Å; W1454-V1459 PolarHBondContact O-N 2.91Å; W1454-H1627 AromaticContact CD1-NE2 3.49Å; W1454-H1627 AromaticContact NE1-CD2 3.45Å; W1454-H1627 PolarHBondContact NE1-CD2 2.78Å; W1454-H1627 AromaticContact NE1-NE2 3.08Å; W1454-H1627 PolarHBondContact NE1-NE2 2.72Å
1455L84Confident78.6Confident1 Ų135.8 Ų35.81%0.00520%0.199CC..Iπ-helixtrans-64.6-47.7178.6-173.464.3000112.5V1370 Q1451 L1452 F1453 V1459 I1460 F1584 L1587 I1588 L1591V1370-L1455 HydrophobicContact CB-CD2 4.41Å; V1370-L1455 HydrophobicContact CG1-CD2 3.74Å; V1370-L1455 HydrophobicContact CG2-CD2 3.77Å; Q1451-L1455 WeakPolarHBondContact O-CB 3.39Å; Q1451-L1455 PolarHBondContact O-N 2.96Å; L1452-L1455 PolarHBondContact O-N 2.84Å; F1453-L1455 VanDerWaalsContact C-N 3.3Å; F1453-L1455 PolarHBondContact O-N 3.35Å; L1455-V1459 HydrophobicContact CD1-CB 4.16Å; L1455-V1459 HydrophobicContact CD1-CG1 4.17Å; L1455-I1460 HydrophobicContact CD1-CD1 4.45Å; L1455-I1460 HydrophobicContact CD1-CG1 4.42Å; L1455-I1460 HydrophobicContact CG-CD1 4.07Å; L1455-I1460 HydrophobicContact CG-CG1 4.49Å; L1455-I1460 WeakPolarHBondContact O-CB 3.35Å; L1455-I1460 VanDerWaalsContact O-CG1 3.31Å; L1455-I1460 WeakPolarHBondContact O-CG1 3.31Å; L1455-I1460 PolarHBondContact O-N 3.05Å; L1455-F1584 HydrophobicContact CB-CE2 4.15Å; L1455-F1584 HydrophobicContact CB-CZ 4.15Å; L1455-F1584 HydrophobicContact CD2-CE2 4.1Å; L1455-L1587 HydrophobicContact CD2-CD2 4.41Å; L1455-I1588 HydrophobicContact CD1-CD1 4.35Å; L1455-I1588 HydrophobicContact CD1-CG1 4.05Å; L1455-L1591 HydrophobicContact CD1-CD1 3.97Å
1456L76.6Confident80.3Confident7 Ų733.9 Ų33.94%0.03719%0.187CC..Iπ-helixtrans-79.7-31.9-171.9-71.8164000114.7S301 S305 P1367 L1452 F1453 I1460 P1461S301-L1456 WeakPolarHBondContact OG-CD1 3.24Å; S305-L1456 PolarHBondContact OG-O 3.25Å; P1367-L1456 HydrophobicContact CB-CD2 4.2Å; P1367-L1456 HydrophobicContact CG-CD2 4.47Å; L1452-L1456 HydrophobicContact CD2-CD1 3.91Å; L1452-L1456 HydrophobicContact CG-CD1 3.75Å; L1452-L1456 WeakPolarHBondContact O-CB 3.2Å; L1452-L1456 WeakPolarHBondContact O-CD1 3.48Å; L1452-L1456 VanDerWaalsContact O-CG 3.3Å; L1452-L1456 WeakPolarHBondContact O-CG 3.31Å; L1452-L1456 PolarHBondContact O-N 3.28Å; F1453-L1456 PolarHBondContact O-N 3.34Å; L1456-I1460 HydrophobicContact CD2-CD1 4.41Å; L1456-P1461 VanDerWaalsContact O-CD 3.28Å; L1456-P1461 WeakPolarHBondContact O-CD 3.05Å; L1456-P1461 WeakPolarHBondContact O-CG 3.26Å
1457F76.8Confident81.3Confident67 Ų6733.4 Ų33.429%0.29418%0.183SC..Iπ-helixtrans-103.9-19.8-175.6-70-81.6000114.4L79 F304 F1453 P1461L79-F1457 HydrophobicContact CD2-CZ 4.23Å; F304-F1457 HydrophobicContact CD1-CE1 4.02Å; F304-F1457 HydrophobicContact CE1-CE1 4.04Å; F1453-F1457 HydrophobicContact CD1-CD2 4.49Å; F1453-F1457 AromaticContact CD2-CD2 3.41Å; F1453-F1457 HydrophobicContact CD2-CD2 3.41Å; F1453-F1457 VanDerWaalsContact CD2-CD2 3.41Å; F1453-F1457 AromaticContact CD2-CE2 3.6Å; F1453-F1457 HydrophobicContact CD2-CE2 3.6Å; F1453-F1457 HydrophobicContact CD2-CG 4.35Å; F1453-F1457 AromaticContact CE2-CD2 3.52Å; F1453-F1457 HydrophobicContact CE2-CD2 3.52Å; F1453-F1457 AromaticContact CE2-CE2 3.73Å; F1453-F1457 HydrophobicContact CE2-CE2 3.73Å; F1453-F1457 HydrophobicContact CE2-CG 4.08Å; F1453-F1457 HydrophobicContact CE2-CZ 4.44Å; F1453-F1457 AromaticContact CG-CD2 3.92Å; F1453-F1457 HydrophobicContact CG-CD2 3.92Å; F1453-F1457 HydrophobicContact CG-CE2 4.47Å; F1453-F1457 HydrophobicContact CZ-CB 4.44Å; F1453-F1457 HydrophobicContact CZ-CD2 4.13Å; F1453-F1457 HydrophobicContact CZ-CG 4.31Å; F1453-F1457 WeakPolarHBondContact O-CB 3.26Å; F1453-F1457 WeakPolarHBondContact O-CD2 3.3Å; F1453-F1457 PolarHBondContact O-N 2.74Å; F1457-P1461 WeakPolarHBondContact O-CG 3.35Å
1458I84.2Confident81.8Confident64 Ų6433.5 Ų33.533%0.32818%0.184SC..Iπ-helixtrans-119.5-63.7-178-65.1170.6000110.6W1454 I1460 S1462W1454-I1458 HydrophobicContact CD2-CB 4.48Å; W1454-I1458 HydrophobicContact CD2-CD1 4.46Å; W1454-I1458 HydrophobicContact CE3-CB 4.26Å; W1454-I1458 HydrophobicContact CE3-CD1 3.49Å; W1454-I1458 VanDerWaalsContact CE3-CD1 3.49Å; W1454-I1458 HydrophobicContact CE3-CG1 4.43Å; W1454-I1458 HydrophobicContact CE3-CG2 4.32Å; W1454-I1458 HydrophobicContact CH2-CD1 4.46Å; W1454-I1458 HydrophobicContact CH2-CG2 4.02Å; W1454-I1458 HydrophobicContact CZ2-CG2 4.27Å; W1454-I1458 HydrophobicContact CZ3-CB 4.44Å; W1454-I1458 HydrophobicContact CZ3-CD1 3.49Å; W1454-I1458 VanDerWaalsContact CZ3-CD1 3.49Å; W1454-I1458 HydrophobicContact CZ3-CG2 4.06Å; W1454-I1458 WeakPolarHBondContact O-CB 3.27Å; W1454-I1458 PolarHBondContact O-N 3.47Å; W1454-I1458 VanDerWaalsContact O-N 3.13Å; I1458-I1460 PolarHBondContact O-N 3.24Å; I1458-S1462 VanDerWaalsContact O-CB 3.26Å; I1458-S1462 WeakPolarHBondContact O-CB 3.4Å; I1458-S1462 PolarHBondContact O-N 2.97Å; I1458-S1462 PolarHBondContact O-OG 3.45Å; I1458-S1462 VanDerWaalsContact O-OG 3.07Å
1459V88.1Confident82.4Confident0 Ų032.9 Ų32.90%018%0.176CC..Iπ-helixtrans-61.3-52.1-173.1179.30000112.4W1454 L1455 L1463 I1588 I1623W1454-V1459 HydrophobicContact CG-CG2 4.47Å; W1454-V1459 PolarHBondContact O-N 2.91Å; L1455-V1459 HydrophobicContact CD1-CB 4.16Å; L1455-V1459 HydrophobicContact CD1-CG1 4.17Å; V1459-L1463 HydrophobicContact CG1-CD1 3.98Å; V1459-L1463 WeakPolarHBondContact O-CB 3.39Å; V1459-L1463 WeakPolarHBondContact O-CG 3.2Å; V1459-L1463 PolarHBondContact O-N 2.89Å; V1459-I1588 HydrophobicContact CG2-CD1 4.41Å; V1459-I1623 HydrophobicContact CG1-CG2 4.3Å; V1459-I1623 HydrophobicContact CG2-CG2 4.5Å
1460I85.9Confident83.1Confident1 Ų128.4 Ų28.41%0.00515%0.152CC..Hα-helixtrans-66.9-49.9-178.2-67.1168.8000111.6T1366 P1367 L1455 L1456 I1458 S1462 L1463 T1464T1366-I1460 HydrophobicContact CG2-CD1 3.74Å; T1366-I1460 HydrophobicContact CG2-CG1 3.87Å; P1367-I1460 HydrophobicContact CG-CD1 4.2Å; L1455-I1460 HydrophobicContact CD1-CD1 4.45Å; L1455-I1460 HydrophobicContact CD1-CG1 4.42Å; L1455-I1460 HydrophobicContact CG-CD1 4.07Å; L1455-I1460 HydrophobicContact CG-CG1 4.49Å; L1455-I1460 WeakPolarHBondContact O-CB 3.35Å; L1455-I1460 VanDerWaalsContact O-CG1 3.31Å; L1455-I1460 WeakPolarHBondContact O-CG1 3.31Å; L1455-I1460 PolarHBondContact O-N 3.05Å; L1456-I1460 HydrophobicContact CD2-CD1 4.41Å; I1458-I1460 PolarHBondContact O-N 3.24Å; I1460-S1462 PolarHBondContact O-N 3.18Å; I1460-L1463 PolarHBondContact O-N 3.26Å; I1460-T1464 HydrophobicContact CG2-CG2 4.12Å; I1460-T1464 WeakPolarHBondContact O-CB 3.46Å; I1460-T1464 VanDerWaalsContact O-CG2 3.23Å; I1460-T1464 WeakPolarHBondContact O-CG2 3.31Å; I1460-T1464 PolarHBondContact O-N 2.92Å; I1460-T1464 PolarHBondContact O-OG1 3.07Å
1461P84.8Confident83.5Confident11 Ų1129.2 Ų29.27%0.07114%0.142CC..Hα-helixtrans-58.7-45.2176.5-2939000113.6I309 L1456 F1457 T1464 L1465I309-P1461 HydrophobicContact CD1-CB 4.33Å; I309-P1461 HydrophobicContact CD1-CG 4.28Å; I309-P1461 HydrophobicContact CG1-CB 4.26Å; L1456-P1461 VanDerWaalsContact O-CD 3.28Å; L1456-P1461 WeakPolarHBondContact O-CD 3.05Å; L1456-P1461 WeakPolarHBondContact O-CG 3.26Å; F1457-P1461 WeakPolarHBondContact O-CG 3.35Å; P1461-T1464 WeakPolarHBondContact CA-OG1 3.42Å; P1461-T1464 PolarHBondContact O-N 2.94Å; P1461-T1464 PolarHBondContact O-OG1 3.03Å; P1461-L1465 WeakPolarHBondContact O-CB 3.26Å; P1461-L1465 VanDerWaalsContact O-CG 3.3Å; P1461-L1465 WeakPolarHBondContact O-CG 3.4Å; P1461-L1465 PolarHBondContact O-N 2.82Å
1462S88.7Confident83.4Confident50 Ų5028.7 Ų28.735%0.3514%0.14SC..Hα-helixtrans-61.6-47.8177.9-660000112.4I1458 I1460 S1466I1458-S1462 VanDerWaalsContact O-CB 3.26Å; I1458-S1462 WeakPolarHBondContact O-CB 3.4Å; I1458-S1462 PolarHBondContact O-N 2.97Å; I1458-S1462 PolarHBondContact O-OG 3.45Å; I1458-S1462 VanDerWaalsContact O-OG 3.07Å; I1460-S1462 PolarHBondContact O-N 3.18Å; S1462-S1466 WeakPolarHBondContact O-CB 3.39Å; S1462-S1466 PolarHBondContact O-N 3.38Å
1463L90.3Very high83.3Confident2 Ų228.4 Ų28.41%0.0114%0.138CC..Hα-helixtrans-62.7-45.5177.7-72.6173.4000111.8F1362 V1459 I1460 S1466 I1592 V1619 I1623F1362-L1463 HydrophobicContact CE1-CB 3.91Å; V1459-L1463 HydrophobicContact CG1-CD1 3.98Å; V1459-L1463 WeakPolarHBondContact O-CB 3.39Å; V1459-L1463 WeakPolarHBondContact O-CG 3.2Å; V1459-L1463 PolarHBondContact O-N 2.89Å; I1460-L1463 PolarHBondContact O-N 3.26Å; L1463-S1466 PolarHBondContact O-N 2.94Å; L1463-S1466 PolarHBondContact O-OG 2.81Å; L1463-I1592 HydrophobicContact CD1-CG1 4.37Å; L1463-V1619 HydrophobicContact CD2-CG1 4.35Å; L1463-I1623 HydrophobicContact CD1-CD1 4.48Å; L1463-I1623 HydrophobicContact CD2-CD1 3.93Å; L1463-I1623 HydrophobicContact CG-CD1 3.77Å
1464T88Confident83.2Confident0 Ų025.5 Ų25.50%012%0.124CC..Hα-helixtrans-61.9-48.1-179.955.50000113.1I309 C1359 F1362 I1460 P1461 S1466 L1467I309-T1464 HydrophobicContact CD1-CG2 4.27Å; I309-T1464 WeakPolarHBondContact CD1-OG1 3.4Å; C1359-T1464 PolarHBondContact SG-O 2.91Å; C1359-T1464 VanDerWaalsContact SG-O 3.33Å; F1362-T1464 HydrophobicContact CD1-CG2 3.63Å; F1362-T1464 HydrophobicContact CE1-CG2 4.24Å; I1460-T1464 HydrophobicContact CG2-CG2 4.12Å; I1460-T1464 WeakPolarHBondContact O-CB 3.46Å; I1460-T1464 VanDerWaalsContact O-CG2 3.23Å; I1460-T1464 WeakPolarHBondContact O-CG2 3.31Å; I1460-T1464 PolarHBondContact O-N 2.92Å; I1460-T1464 PolarHBondContact O-OG1 3.07Å; P1461-T1464 WeakPolarHBondContact CA-OG1 3.42Å; P1461-T1464 PolarHBondContact O-N 2.94Å; P1461-T1464 PolarHBondContact O-OG1 3.03Å; T1464-S1466 PolarHBondContact O-N 2.97Å; T1464-L1467 VanDerWaalsContact O-CB 3.28Å; T1464-L1467 WeakPolarHBondContact O-CB 3.3Å; T1464-L1467 WeakPolarHBondContact O-CG 3.44Å; T1464-L1467 PolarHBondContact O-N 3.46Å
1465L86Confident82.7Confident44 Ų4427.2 Ų27.223%0.2314%0.14CC..Hα-helixtrans-64.4-31.7-179.4-67.7173000112I309 V312 A313 P1461 L1467 I1468I309-L1465 HydrophobicContact CG2-CD2 4.13Å; V312-L1465 HydrophobicContact CB-CD1 4.36Å; V312-L1465 HydrophobicContact CB-CD2 3.85Å; V312-L1465 HydrophobicContact CG1-CD1 3.88Å; V312-L1465 HydrophobicContact CG1-CD2 3.68Å; V312-L1465 HydrophobicContact CG1-CG 4.42Å; A313-L1465 HydrophobicContact CB-CD2 4.44Å; P1461-L1465 WeakPolarHBondContact O-CB 3.26Å; P1461-L1465 VanDerWaalsContact O-CG 3.3Å; P1461-L1465 WeakPolarHBondContact O-CG 3.4Å; P1461-L1465 PolarHBondContact O-N 2.82Å; L1465-L1467 PolarHBondContact O-N 3.16Å; L1465-I1468 HydrophobicContact CD2-CD1 3.9Å; L1465-I1468 WeakPolarHBondContact O-CB 3.48Å; L1465-I1468 WeakPolarHBondContact O-CD1 3.13Å; L1465-I1468 VanDerWaalsContact O-CG1 3.32Å; L1465-I1468 WeakPolarHBondContact O-CG1 3.48Å; L1465-I1468 PolarHBondContact O-N 2.81Å
1466S90.3Very high82.1Confident4 Ų431.3 Ų31.33%0.02816%0.159CC..THydrogen-bonded Turntrans-66.7-11.9174.380.80000114.3S1462 L1463 T1464 I1468 N1613 S1615S1462-S1466 WeakPolarHBondContact O-CB 3.39Å; S1462-S1466 PolarHBondContact O-N 3.38Å; L1463-S1466 PolarHBondContact O-N 2.94Å; L1463-S1466 PolarHBondContact O-OG 2.81Å; T1464-S1466 PolarHBondContact O-N 2.97Å; S1466-I1468 VanDerWaalsContact C-N 3.29Å; S1466-I1468 PolarHBondContact O-N 2.81Å; S1466-N1613 PolarHBondContact O-ND2 2.96Å; S1466-N1613 PolarHBondContact O-OD1 3.34Å; S1466-S1615 PolarHBondContact O-OG 3.38Å
1467L86.4Confident81.6Confident3 Ų334.1 Ų34.12%0.01618%0.178CC..THydrogen-bonded Turntrans-75.9-15.9175-58.7177000113.2F1362 T1464 L1465 D1469 A1599F1362-L1467 HydrophobicContact CB-CD1 3.78Å; F1362-L1467 HydrophobicContact CD1-CD1 3.85Å; F1362-L1467 HydrophobicContact CG-CD1 4.05Å; T1464-L1467 VanDerWaalsContact O-CB 3.28Å; T1464-L1467 WeakPolarHBondContact O-CB 3.3Å; T1464-L1467 WeakPolarHBondContact O-CG 3.44Å; T1464-L1467 PolarHBondContact O-N 3.46Å; L1465-L1467 PolarHBondContact O-N 3.16Å; L1467-D1469 PolarHBondContact O-N 3.18Å; L1467-A1599 HydrophobicContact CD2-CB 3.65Å
1468I83.1Confident81.2Confident9 Ų931.7 Ų31.75%0.04617%0.168CC..THydrogen-bonded Turntrans-71-32.7-171.7-58.7166.2000112.1A313 V316 V317 N1355 C1359 L1465 S1466 R1470A313-I1468 HydrophobicContact CB-CD1 3.54Å; A313-I1468 HydrophobicContact CB-CG1 4.4Å; V316-I1468 HydrophobicContact CB-CD1 4.48Å; V316-I1468 HydrophobicContact CB-CG2 4.39Å; V316-I1468 HydrophobicContact CG1-CG2 3.78Å; V317-I1468 HydrophobicContact CG2-CG2 3.88Å; N1355-I1468 PolarHBondContact ND2-O 3.48Å; C1359-I1468 HydrophobicContact CB-CG1 4.48Å; L1465-I1468 HydrophobicContact CD2-CD1 3.9Å; L1465-I1468 WeakPolarHBondContact O-CB 3.48Å; L1465-I1468 WeakPolarHBondContact O-CD1 3.13Å; L1465-I1468 VanDerWaalsContact O-CG1 3.32Å; L1465-I1468 WeakPolarHBondContact O-CG1 3.48Å; L1465-I1468 PolarHBondContact O-N 2.81Å; S1466-I1468 VanDerWaalsContact C-N 3.29Å; S1466-I1468 PolarHBondContact O-N 2.81Å; I1468-R1470 PolarHBondContact O-N 3.07Å
1469D82.2Confident80.4Confident47 Ų4736.5 Ų36.525%0.25118%0.182SC..THydrogen-bonded Turntrans-86.825.2-179.2-165.735.8000113.9L1467 Q1471 R1474 P1614L1467-D1469 PolarHBondContact O-N 3.18Å; D1469-Q1471 PolarHBondContact O-N 3.02Å; D1469-Q1471 VanDerWaalsContact O-N 3.11Å; D1469-R1474 IonicContact OD1-NH1 3.64Å; D1469-R1474 PolarHBondContact OD1-NH1 3.05Å; D1469-P1614 WeakPolarHBondContact OD2-CD 3.29Å; D1469-P1614 WeakPolarHBondContact OD2-CG 3.44Å
1470R84.9Confident79.4Confident5 Ų539.8 Ų39.82%0.01920%0.197CC..  trans-67.4109.4173.7178.3-172.769.11197.9110.2N1355 I1468 V1472 E1473 A1599 Y1601N1355-R1470 PolarHBondContact ND2-O 2.96Å; N1355-R1470 PolarHBondContact OD1-NE 2.78Å; N1355-R1470 PolarHBondContact OD1-NH2 2.94Å; I1468-R1470 PolarHBondContact O-N 3.07Å; R1470-V1472 VanDerWaalsContact C-N 3.35Å; R1470-V1472 HydrophobicContact CG-CB 3.81Å; R1470-V1472 HydrophobicContact CG-CG2 3.82Å; R1470-E1473 IonicContact CZ-OE2 3.25Å; R1470-E1473 IonicContact NH1-OE2 3.53Å; R1470-E1473 PolarHBondContact NH1-OE2 2.83Å; R1470-E1473 IonicContact NH2-OE2 3.47Å; R1470-E1473 PolarHBondContact NH2-OE2 3.08Å; R1470-A1599 WeakPolarHBondContact CD-O 3.44Å; R1470-A1599 VanDerWaalsContact CG-O 3.24Å; R1470-A1599 WeakPolarHBondContact CG-O 3.25Å; R1470-Y1601 PolarHBondContact NH1-O 3.04Å; R1470-Y1601 VanDerWaalsContact NH1-O 3.09Å
1471Q81.7Confident78.3Confident66 Ų6641 Ų4131%0.30821%0.205SC..  trans-88.40.2177.8-51.6-1640.700113.9D1469 E1473 N1475 T1612D1469-Q1471 PolarHBondContact O-N 3.02Å; D1469-Q1471 VanDerWaalsContact O-N 3.11Å; Q1471-E1473 PolarHBondContact O-N 2.67Å; Q1471-N1475 PolarHBondContact O-N 3.12Å; Q1471-N1475 PolarHBondContact O-ND2 3.31Å; Q1471-T1612 PolarHBondContact N-O 2.99Å
1472V75.4Confident77.3Confident4 Ų441.9 Ų41.92%0.02421%0.211CC..THydrogen-bonded Turntrans-55.1-38.3-178.3172.90000112.4R1470 Q1476 Y1601 Q1603 T1612R1470-V1472 VanDerWaalsContact C-N 3.35Å; R1470-V1472 HydrophobicContact CG-CB 3.81Å; R1470-V1472 HydrophobicContact CG-CG2 3.82Å; V1472-Q1476 PolarHBondContact O-NE2 3.2Å; V1472-Y1601 WeakPolarHBondContact CG1-O 3.24Å; V1472-Q1603 HydrophobicContact CG1-CG 3.78Å; V1472-Q1603 HydrophobicContact CG2-CG 4.39Å; V1472-T1612 HydrophobicContact CG2-CG2 4.47Å
1473E72Confident76Confident19 Ų1942.4 Ų42.49%0.08921%0.209CC..THydrogen-bonded Turntrans-89.5-41.4-176.4-161.6167.3130.400112.6H1350 A1351 N1354 R1470 Q1471 N1475 Q1476H1350-E1473 IonicContact CE1-OE1 3.49Å; H1350-E1473 PolarHBondContact CE1-OE1 3.28Å; H1350-E1473 IonicContact ND1-OE1 3.14Å; H1350-E1473 PolarHBondContact ND1-OE1 3.22Å; A1351-E1473 HydrophobicContact CB-CB 4.02Å; A1351-E1473 HydrophobicContact CB-CG 4.21Å; N1354-E1473 PolarHBondContact ND2-OE2 3.43Å; R1470-E1473 IonicContact CZ-OE2 3.25Å; R1470-E1473 IonicContact NH1-OE2 3.53Å; R1470-E1473 PolarHBondContact NH1-OE2 2.83Å; R1470-E1473 IonicContact NH2-OE2 3.47Å; R1470-E1473 PolarHBondContact NH2-OE2 3.08Å; Q1471-E1473 PolarHBondContact O-N 2.67Å; E1473-N1475 PolarHBondContact O-N 3.38Å; E1473-N1475 VanDerWaalsContact O-N 3.11Å; E1473-Q1476 PolarHBondContact O-N 2.79Å
1474R74.8Confident74.7Confident46 Ų4645.5 Ų45.517%0.17422%0.222CC..THydrogen-bonded Turntrans-49.2-38.1173-68.5179.5168.3141.60.7113H320 E1348 A1351 D1469 Q1476H320-R1474 VanDerWaalsContact CE1-CZ 3.45Å; H320-R1474 PolarHBondContact CE1-NH2 3.34Å; H320-R1474 PolarHBondContact ND1-NH2 3.44Å; H320-R1474 VanDerWaalsContact ND1-NH2 3.11Å; H320-R1474 PolarHBondContact NE2-NH2 3.5Å; E1348-R1474 VanDerWaalsContact CD-NE 3.35Å; E1348-R1474 IonicContact OE1-CZ 3.99Å; E1348-R1474 IonicContact OE1-NE 2.81Å; E1348-R1474 PolarHBondContact OE1-NE 3.23Å; E1348-R1474 VanDerWaalsContact OE1-NE 3.1Å; E1348-R1474 IonicContact OE1-NH2 2.66Å; E1348-R1474 PolarHBondContact OE1-NH2 3.08Å; E1348-R1474 VanDerWaalsContact OE2-CD 3.3Å; E1348-R1474 WeakPolarHBondContact OE2-CD 2.97Å; E1348-R1474 WeakPolarHBondContact OE2-CG 3.41Å; E1348-R1474 IonicContact OE2-CZ 3.51Å; E1348-R1474 IonicContact OE2-NE 3.8Å; E1348-R1474 PolarHBondContact OE2-NE 3.39Å; E1348-R1474 IonicContact OE2-NH2 3Å; A1351-R1474 HydrophobicContact CB-CG 3.73Å; D1469-R1474 IonicContact OD1-NH1 3.64Å; D1469-R1474 PolarHBondContact OD1-NH1 3.05Å; R1474-Q1476 VanDerWaalsContact C-N 3.33Å
1475N72.2Confident73.3Confident122 Ų12248 Ų4865%0.65223%0.232SC*.THydrogen-bonded Turntrans-86.46.5-178.5-70.3-62000114.4Q1471 E1473Q1471-N1475 PolarHBondContact O-N 3.12Å; Q1471-N1475 PolarHBondContact O-ND2 3.31Å; E1473-N1475 PolarHBondContact O-N 3.38Å; E1473-N1475 VanDerWaalsContact O-N 3.11Å
1476Q71.2Confident71.9Confident86 Ų8651.1 Ų51.140%0.40225%0.249SC..SBendtrans-118.8136.9175.9-75.4176.192.600110.3V1472 E1473 R1474 L1478V1472-Q1476 PolarHBondContact O-NE2 3.2Å; E1473-Q1476 PolarHBondContact O-N 2.79Å; R1474-Q1476 VanDerWaalsContact C-N 3.33Å; Q1476-L1478 PolarHBondContact O-N 2.66Å
1477P66.4Low70.5Confident67 Ų6757.4 Ų57.444%0.43528%0.275SS..  trans-64139.4173.428.3-34.3000109.6R1479P1477-R1479 WeakPolarHBondContact O-CG 3.41Å; P1477-R1479 PolarHBondContact O-N 2.76Å
1478L69.5Low69Low15 Ų1559.1 Ų59.18%0.07928%0.284CS..  trans-59.6130.1-178.7-134.579.5000110.2A979 I981 Y1343 V1347 H1350 Q1476A979-L1478 WeakPolarHBondContact CA-O 3.13Å; A979-L1478 HydrophobicContact CB-CB 3.74Å; A979-L1478 HydrophobicContact CB-CD2 4.2Å; I981-L1478 HydrophobicContact CD1-CD2 4.38Å; Y1343-L1478 PolarHBondContact OH-N 2.7Å; Y1343-L1478 VanDerWaalsContact OH-N 3.12Å; V1347-L1478 HydrophobicContact CG2-CB 4.36Å; V1347-L1478 HydrophobicContact CG2-CD1 4.32Å; H1350-L1478 HydrophobicContact CB-CD1 3.88Å; H1350-L1478 HydrophobicContact CB-CD2 4.47Å; Q1476-L1478 PolarHBondContact O-N 2.66Å
1479R66.7Low67.9Low165 Ų16564.6 Ų64.662%0.62331%0.308SS*.  trans-137.11.1-177.9-73.6171.4179.4-172.8-0.1112.7P1477P1477-R1479 WeakPolarHBondContact O-CG 3.41Å; P1477-R1479 PolarHBondContact O-N 2.76Å
1480E66.8Low67.1Low70 Ų7065.1 Ų65.133%0.32731%0.313SS..SBendtrans-98.4138.5-175.5-48.7-156.7168.400108.7H1684E1480-H1684 VanDerWaalsContact CG-NE2 3.29Å; E1480-H1684 WeakPolarHBondContact CG-NE2 3.25Å; E1480-H1684 IonicContact OE1-NE2 3.71Å; E1480-H1684 IonicContact OE2-CE1 3.17Å; E1480-H1684 IonicContact OE2-NE2 2.71Å; E1480-H1684 PolarHBondContact OE2-NE2 3.49Å
1481P63.6Low66.4Low27 Ų2774.1 Ų74.118%0.17535%0.353CS..PPolyproline II helixtrans-71.8136.6-179.433.6-38.1000110.6I1483 H1684 S1687P1481-I1483 PolarHBondContact O-N 3.35Å; P1481-H1684 WeakPolarHBondContact CD-ND1 3.21Å; P1481-S1687 WeakPolarHBondContact CB-OG 3.08Å; P1481-S1687 WeakPolarHBondContact CG-OG 3.25Å
1482P62.4Low65.9Low29 Ų2979 Ų7919%0.18837%0.372CS..PPolyproline II helixtrans-63.8133.6175.125.2-32.2000111.2L394 C980 I981 K1484L394-P1482 WeakPolarHBondContact O-CB 3.08Å; C980-P1482 WeakPolarHBondContact O-CD 3.44Å; I981-P1482 HydrophobicContact CG1-CG 4.41Å; P1482-K1484 PolarHBondContact O-N 3.07Å
1483I62.1Low65.7Low60 Ų6082.6 Ų82.631%0.30839%0.386SS..  trans-83.8102-174.3-50.7171.5000109.4P1481 R1485 L1488P1481-I1483 PolarHBondContact O-N 3.35Å; I1483-R1485 PolarHBondContact O-N 3.42Å; I1483-L1488 HydrophobicContact CB-CD2 4.42Å; I1483-L1488 HydrophobicContact CD1-CD2 4.37Å; I1483-L1488 HydrophobicContact CG2-CD2 4.07Å; I1483-L1488 HydrophobicContact CG2-CG 3.83Å
1484K63.4Low65.6Low67 Ų6785 Ų8529%0.29140%0.404SS..  trans-40.8133.9172.7-85.5-177.2170-74.40111.9Y1233 G1234 D1235 P1482 N1486 K1487Y1233-K1484 PolarHBondContact O-NZ 2.99Å; G1234-K1484 CarbonylContact O-C 3.57Å; G1234-K1484 WeakPolarHBondContact O-CA 3.27Å; D1235-K1484 VanDerWaalsContact OD1-CE 3.3Å; D1235-K1484 WeakPolarHBondContact OD1-CE 3.18Å; D1235-K1484 IonicContact OD1-NZ 2.71Å; D1235-K1484 PolarHBondContact OD1-NZ 2.55Å; D1235-K1484 IonicContact OD2-NZ 2.74Å; D1235-K1484 PolarHBondContact OD2-NZ 3.36Å; P1482-K1484 PolarHBondContact O-N 3.07Å; K1484-N1486 PolarHBondContact O-N 3.47Å; K1484-K1487 PolarHBondContact O-N 3.01Å
1485R58.5Low65.7Low53 Ų5388.3 Ų88.320%0.242%0.424CS..THydrogen-bonded Turntrans-52.8-22.6-167-167.2177.3-173.7164.83.8115.4Q241 G1234 D1256 I1483Q241-R1485 PolarHBondContact O-NH2 3Å; G1234-R1485 PolarHBondContact O-N 3.36Å; D1256-R1485 IonicContact OD1-NH1 3.04Å; D1256-R1485 PolarHBondContact OD1-NH1 2.97Å; D1256-R1485 IonicContact OD2-NH1 3.83Å; I1483-R1485 PolarHBondContact O-N 3.42Å
1486N57Low66.1Low110 Ų11085.7 Ų85.759%0.58841%0.405SS*.THydrogen-bonded Turntrans-105.5-0.8-176.9-62.3-21.8000114.2K1484K1484-N1486 PolarHBondContact O-N 3.47Å
1487K60.5Low66.4Low135 Ų13584.8 Ų84.859%0.58740%0.4SS*.SBendtrans-1111-176.3-69.7-171.8176.4-178.50115.6K1484 T1490K1484-K1487 PolarHBondContact O-N 3.01Å; K1487-T1490 PolarHBondContact O-OG1 3.01Å
1488L55Low66.9Low39 Ų3985 Ų8520%0.20440%0.4CS..THydrogen-bonded Turntrans-52.9-56.7177.8-75.9138.9000112.7L243 I1483 T1490L243-L1488 HydrophobicContact CD1-CD1 3.57Å; L243-L1488 HydrophobicContact CD1-CD2 4.44Å; I1483-L1488 HydrophobicContact CB-CD2 4.42Å; I1483-L1488 HydrophobicContact CD1-CD2 4.37Å; I1483-L1488 HydrophobicContact CG2-CD2 4.07Å; I1483-L1488 HydrophobicContact CG2-CG 3.83Å; L1488-T1490 VanDerWaalsContact C-N 3.33Å; L1488-T1490 PolarHBondContact O-N 2.87Å
1489F59Low67.5Low124 Ų12489.5 Ų89.554%0.54442%0.424SS..THydrogen-bonded Turntrans-91.948.7-173.8-63.4-78.1000113.6T250T250-F1489 HydrophobicContact CG2-CD2 4.38Å; T250-F1489 HydrophobicContact CG2-CE1 4.2Å; T250-F1489 HydrophobicContact CG2-CE2 3.9Å; T250-F1489 HydrophobicContact CG2-CZ 3.8Å; T250-F1489 WeakPolarHBondContact OG1-CZ 3.49Å
1490T66.4Low68.4Low59 Ų5982.6 Ų82.636%0.36240%0.4SS..  trans-70.3133.6171.336.80000110.8K1487 L1488 K1492 R1493 C1494K1487-T1490 PolarHBondContact O-OG1 3.01Å; L1488-T1490 VanDerWaalsContact C-N 3.33Å; L1488-T1490 PolarHBondContact O-N 2.87Å; T1490-K1492 PolarHBondContact O-N 2.97Å; T1490-R1493 PolarHBondContact O-N 2.92Å; T1490-R1493 WeakPolarHBondContact OG1-CG 3.44Å; T1490-C1494 PolarHBondContact O-N 3.23Å; T1490-C1494 VanDerWaalsContact O-N 3.1Å
1491K69.2Low69Low194 Ų19479.9 Ų79.984%0.84339%0.388SS*.Hα-helixtrans-47.2-42.2-178.6-76.7-171.1175.9-176.10112.9R1493 C1494 L1495K1491-R1493 PolarHBondContact O-N 3.28Å; K1491-C1494 PolarHBondContact O-N 2.75Å; K1491-L1495 WeakPolarHBondContact O-CB 3.41Å; K1491-L1495 PolarHBondContact O-N 2.9Å
1492K72.7Confident70Confident167 Ų16781 Ų8173%0.72640%0.396SS*.Hα-helixtrans-63.1-35.7178.5-170.5173.5-177.1174.70113.7T1490 R1496T1490-K1492 PolarHBondContact O-N 2.97Å; K1492-R1496 PolarHBondContact O-N 3.02Å; K1492-R1496 VanDerWaalsContact O-N 3.14Å
1493R70.3Confident71.2Confident81 Ų8181.8 Ų81.831%0.30640%0.402SS..Hα-helixtrans-73.5-44.6174.7-76.9-172.6167.6-171-6.8111.5T1490 K1491 L1495 R1496 F1497 E1683T1490-R1493 PolarHBondContact O-N 2.92Å; T1490-R1493 WeakPolarHBondContact OG1-CG 3.44Å; K1491-R1493 PolarHBondContact O-N 3.28Å; R1493-L1495 PolarHBondContact O-N 2.88Å; R1493-R1496 PolarHBondContact O-N 2.81Å; R1493-F1497 WeakPolarHBondContact O-CB 3.36Å; R1493-F1497 PolarHBondContact O-N 2.91Å; R1493-E1683 IonicContact CZ-OE2 2.7Å; R1493-E1683 IonicContact NE-OE2 3.66Å; R1493-E1683 IonicContact NH2-OE2 3.43Å; R1493-E1683 PolarHBondContact NH2-OE2 3.46Å
1494C70.9Confident72.5Confident69 Ų6979.1 Ų79.147%0.46639%0.388SS..Hα-helixtrans-58.9-47.5175.7-163.90000111.4T1490 K1491 R1496 F1497 T1498T1490-C1494 PolarHBondContact O-N 3.23Å; T1490-C1494 VanDerWaalsContact O-N 3.1Å; K1491-C1494 PolarHBondContact O-N 2.75Å; C1494-R1496 PolarHBondContact O-N 2.75Å; C1494-F1497 WeakPolarHBondContact O-CB 3.02Å; C1494-F1497 PolarHBondContact O-N 3.35Å; C1494-F1497 VanDerWaalsContact O-N 3.16Å; C1494-T1498 PolarHBondContact O-N 3.25Å; C1494-T1498 PolarHBondContact O-OG1 2.97Å; C1494-T1498 VanDerWaalsContact O-OG1 3.14Å
1495L76.9Confident73.6Confident115 Ų11576.4 Ų76.460%0.60238%0.376SS*.Hα-helixtrans-63.6-39.4177.5-177.8138.2000113.2K1491 R1493 L1499K1491-L1495 WeakPolarHBondContact O-CB 3.41Å; K1491-L1495 PolarHBondContact O-N 2.9Å; R1493-L1495 PolarHBondContact O-N 2.88Å; L1495-L1499 HydrophobicContact CD2-CD1 3.72Å; L1495-L1499 HydrophobicContact CG-CD1 4.34Å; L1495-L1499 WeakPolarHBondContact O-CB 3.11Å; L1495-L1499 WeakPolarHBondContact O-CG 3.38Å; L1495-L1499 PolarHBondContact O-N 3.02Å
1496R79.6Confident75Confident67 Ų6777.2 Ų77.225%0.25338%0.384SS..Hα-helixtrans-62.9-44.6171.9-174.5-170.1-70.5150.33111K1492 R1493 C1494 L1499 V1500 E1683K1492-R1496 PolarHBondContact O-N 3.02Å; K1492-R1496 VanDerWaalsContact O-N 3.14Å; R1493-R1496 PolarHBondContact O-N 2.81Å; C1494-R1496 PolarHBondContact O-N 2.75Å; R1496-L1499 PolarHBondContact O-N 2.84Å; R1496-V1500 HydrophobicContact CG-CG2 4.16Å; R1496-V1500 WeakPolarHBondContact O-CB 3.16Å; R1496-V1500 VanDerWaalsContact O-CG2 3.31Å; R1496-V1500 WeakPolarHBondContact O-CG2 3.36Å; R1496-V1500 PolarHBondContact O-N 3.11Å; R1496-E1683 IonicContact CZ-OE1 3.83Å; R1496-E1683 IonicContact NH1-OE1 3.3Å; R1496-E1683 PolarHBondContact NH1-OE1 2.73Å; R1496-E1683 IonicContact NH2-OE1 3.97Å; R1496-E1683 PolarHBondContact NH2-OE1 2.74Å
1497F77.2Confident76.6Confident68 Ų6874 Ų7430%0.29837%0.369SS..Hα-helixtrans-59.8-47.7179.6172.1-95.9000111.6Y1357 V1361 R1493 C1494 V1500 T1501Y1357-F1497 VanDerWaalsContact OH-CD2 3.26Å; Y1357-F1497 WeakPolarHBondContact OH-CD2 3.17Å; Y1357-F1497 WeakPolarHBondContact OH-CE2 3.28Å; V1361-F1497 HydrophobicContact CB-CE2 4.24Å; V1361-F1497 HydrophobicContact CB-CZ 4.35Å; V1361-F1497 HydrophobicContact CG1-CE2 3.64Å; V1361-F1497 HydrophobicContact CG1-CZ 3.81Å; V1361-F1497 HydrophobicContact CG2-CE2 3.52Å; V1361-F1497 HydrophobicContact CG2-CZ 3.77Å; R1493-F1497 WeakPolarHBondContact O-CB 3.36Å; R1493-F1497 PolarHBondContact O-N 2.91Å; C1494-F1497 WeakPolarHBondContact O-CB 3.02Å; C1494-F1497 PolarHBondContact O-N 3.35Å; C1494-F1497 VanDerWaalsContact O-N 3.16Å; F1497-V1500 PolarHBondContact O-N 3.02Å; F1497-T1501 HydrophobicContact CD2-CG2 4.35Å; F1497-T1501 HydrophobicContact CE1-CG2 4.32Å; F1497-T1501 HydrophobicContact CE2-CG2 3.92Å; F1497-T1501 HydrophobicContact CZ-CG2 3.9Å; F1497-T1501 WeakPolarHBondContact O-CB 3.49Å; F1497-T1501 WeakPolarHBondContact O-CG2 3.43Å; F1497-T1501 PolarHBondContact O-N 2.95Å; F1497-T1501 PolarHBondContact O-OG1 3.07Å
1498T76.3Confident78Confident70 Ų7067.6 Ų67.643%0.42934%0.342SS..Hα-helixtrans-59.9-48.2174.8-53.10000111.4C1494 V1500 T1501 C1502C1494-T1498 PolarHBondContact O-N 3.25Å; C1494-T1498 PolarHBondContact O-OG1 2.97Å; C1494-T1498 VanDerWaalsContact O-OG1 3.14Å; T1498-V1500 PolarHBondContact O-N 3.48Å; T1498-T1501 WeakPolarHBondContact CA-OG1 3.22Å; T1498-T1501 PolarHBondContact O-N 3.4Å; T1498-T1501 PolarHBondContact O-OG1 3.08Å; T1498-C1502 VanDerWaalsContact O-CB 3.24Å; T1498-C1502 WeakPolarHBondContact O-CB 3.25Å; T1498-C1502 PolarHBondContact O-N 3.47Å; T1498-C1502 PolarHBondContact O-SG 3.2Å
1499L83.8Confident79.6Confident111 Ų11166.1 Ų66.158%0.58133%0.334SS*.Hα-helixtrans-59.6-44.6177.4-79.1168.7000113L1495 R1496 S1503L1495-L1499 HydrophobicContact CD2-CD1 3.72Å; L1495-L1499 HydrophobicContact CG-CD1 4.34Å; L1495-L1499 WeakPolarHBondContact O-CB 3.11Å; L1495-L1499 WeakPolarHBondContact O-CG 3.38Å; L1495-L1499 PolarHBondContact O-N 3.02Å; R1496-L1499 PolarHBondContact O-N 2.84Å; L1499-S1503 VanDerWaalsContact O-CB 3.28Å; L1499-S1503 WeakPolarHBondContact O-CB 3.39Å; L1499-S1503 PolarHBondContact O-N 2.77Å; L1499-S1503 PolarHBondContact O-OG 3.44Å
1500V83.9Confident81Confident20 Ų2063.5 Ų63.512%0.12133%0.325CS..Hα-helixtrans-63.3-48.1178.7165.40000110.9R1496 F1497 T1498 S1503 R1504 I1672 E1676R1496-V1500 HydrophobicContact CG-CG2 4.16Å; R1496-V1500 WeakPolarHBondContact O-CB 3.16Å; R1496-V1500 VanDerWaalsContact O-CG2 3.31Å; R1496-V1500 WeakPolarHBondContact O-CG2 3.36Å; R1496-V1500 PolarHBondContact O-N 3.11Å; F1497-V1500 PolarHBondContact O-N 3.02Å; T1498-V1500 PolarHBondContact O-N 3.48Å; V1500-S1503 PolarHBondContact O-N 3.31Å; V1500-S1503 PolarHBondContact O-OG 2.9Å; V1500-R1504 VanDerWaalsContact CG1-NH1 3.26Å; V1500-R1504 PolarHBondContact O-N 2.98Å; V1500-I1672 HydrophobicContact CG1-CG2 4.15Å; V1500-E1676 WeakPolarHBondContact CG1-OE2 3.36Å; V1500-E1676 HydrophobicContact CG2-CG 4.3Å
1501T81.4Confident82.2Confident12 Ų1261.1 Ų61.17%0.07431%0.311CS..Hα-helixtrans-64.8-47.8179.349.10000111.9V1361 T1365 F1497 T1498 S1503 R1504 F1505V1361-T1501 HydrophobicContact CG1-CG2 4.28Å; T1365-T1501 HydrophobicContact CG2-CG2 3.9Å; F1497-T1501 HydrophobicContact CD2-CG2 4.35Å; F1497-T1501 HydrophobicContact CE1-CG2 4.32Å; F1497-T1501 HydrophobicContact CE2-CG2 3.92Å; F1497-T1501 HydrophobicContact CZ-CG2 3.9Å; F1497-T1501 WeakPolarHBondContact O-CB 3.49Å; F1497-T1501 WeakPolarHBondContact O-CG2 3.43Å; F1497-T1501 PolarHBondContact O-N 2.95Å; F1497-T1501 PolarHBondContact O-OG1 3.07Å; T1498-T1501 WeakPolarHBondContact CA-OG1 3.22Å; T1498-T1501 PolarHBondContact O-N 3.4Å; T1498-T1501 PolarHBondContact O-OG1 3.08Å; T1501-S1503 VanDerWaalsContact C-N 3.29Å; T1501-S1503 PolarHBondContact O-N 2.63Å; T1501-R1504 PolarHBondContact O-N 2.76Å; T1501-R1504 VanDerWaalsContact O-N 3.14Å; T1501-F1505 WeakPolarHBondContact O-CD2 3.46Å; T1501-F1505 PolarHBondContact O-N 2.95Å
1502C84.6Confident83.1Confident51 Ų5151.9 Ų51.935%0.34527%0.27SS..Hα-helixtrans-53.9-43.9172.2-72.90000112.3T1498 R1504 F1505 I1506T1498-C1502 VanDerWaalsContact O-CB 3.24Å; T1498-C1502 WeakPolarHBondContact O-CB 3.25Å; T1498-C1502 PolarHBondContact O-N 3.47Å; T1498-C1502 PolarHBondContact O-SG 3.2Å; C1502-R1504 VanDerWaalsContact C-N 3.27Å; C1502-R1504 PolarHBondContact O-N 3.21Å; C1502-F1505 PolarHBondContact O-N 3.21Å; C1502-I1506 HydrophobicContact CB-CD1 3.76Å; C1502-I1506 HydrophobicContact CB-CG1 4.43Å; C1502-I1506 WeakPolarHBondContact O-CB 3.27Å; C1502-I1506 WeakPolarHBondContact O-CG1 3.31Å; C1502-I1506 PolarHBondContact O-N 3.08Å
1503S87.4Confident83.6Confident45 Ų4544.7 Ų44.732%0.31524%0.24SC..Hα-helixtrans-66.3-22.3-179.371.90000114.9L1499 V1500 T1501L1499-S1503 VanDerWaalsContact O-CB 3.28Å; L1499-S1503 WeakPolarHBondContact O-CB 3.39Å; L1499-S1503 PolarHBondContact O-N 2.77Å; L1499-S1503 PolarHBondContact O-OG 3.44Å; V1500-S1503 PolarHBondContact O-N 3.31Å; V1500-S1503 PolarHBondContact O-OG 2.9Å; T1501-S1503 VanDerWaalsContact C-N 3.29Å; T1501-S1503 PolarHBondContact O-N 2.63Å
1504R88.1Confident84.4Confident4 Ų446.9 Ų46.92%0.01525%0.252CS..Hα-helixtrans-83.9-36.9175.4-71-177.2173.9121.28.2113V1500 T1501 C1502 I1594 Y1598 I1672 S1673 E1676V1500-R1504 VanDerWaalsContact CG1-NH1 3.26Å; V1500-R1504 PolarHBondContact O-N 2.98Å; T1501-R1504 PolarHBondContact O-N 2.76Å; T1501-R1504 VanDerWaalsContact O-N 3.14Å; C1502-R1504 VanDerWaalsContact C-N 3.27Å; C1502-R1504 PolarHBondContact O-N 3.21Å; R1504-I1594 WeakPolarHBondContact O-CD1 3.4Å; R1504-Y1598 WeakPolarHBondContact CD-OH 3.49Å; R1504-Y1598 PolarHBondContact NH1-OH 3Å; R1504-I1672 HydrophobicContact CG-CD1 3.96Å; R1504-I1672 HydrophobicContact CG-CG2 4.25Å; R1504-S1673 PolarHBondContact NH2-OG 2.87Å; R1504-E1676 IonicContact CZ-OE2 2.74Å; R1504-E1676 IonicContact NH1-OE2 2.81Å; R1504-E1676 PolarHBondContact NH1-OE2 2.81Å; R1504-E1676 IonicContact NH2-OE2 3.15Å; R1504-E1676 PolarHBondContact NH2-OE2 3.49Å
1505F87.5Confident85.1Confident10 Ų1043.6 Ų43.64%0.04423%0.23CC..Hα-helixtrans-93.3-52.7-174.7-72.3-81.3000113.4F1362 T1365 A1369 T1501 C1502 S1508 L1509 L1591 I1594F1362-F1505 HydrophobicContact CD2-CZ 4.21Å; F1362-F1505 HydrophobicContact CE2-CZ 4.14Å; T1365-F1505 WeakPolarHBondContact OG1-CE2 3.26Å; T1365-F1505 WeakPolarHBondContact OG1-CZ 3.39Å; A1369-F1505 HydrophobicContact CB-CB 4.01Å; A1369-F1505 HydrophobicContact CB-CD1 3.57Å; A1369-F1505 HydrophobicContact CB-CE1 4.22Å; A1369-F1505 HydrophobicContact CB-CG 3.88Å; T1501-F1505 WeakPolarHBondContact O-CD2 3.46Å; T1501-F1505 PolarHBondContact O-N 2.95Å; C1502-F1505 PolarHBondContact O-N 3.21Å; F1505-S1508 PolarHBondContact O-N 2.86Å; F1505-S1508 VanDerWaalsContact O-N 3.08Å; F1505-L1509 WeakPolarHBondContact O-CG 3.02Å; F1505-L1509 PolarHBondContact O-N 2.81Å; F1505-L1591 HydrophobicContact CD1-CD2 4.41Å; F1505-L1591 HydrophobicContact CE1-CD2 3.86Å; F1505-I1594 HydrophobicContact CD1-CD1 3.86Å; F1505-I1594 HydrophobicContact CE1-CD1 4.08Å; F1505-I1594 HydrophobicContact CE1-CG2 3.99Å; F1505-I1594 HydrophobicContact CE2-CG2 4.3Å; F1505-I1594 HydrophobicContact CG-CD1 4.48Å; F1505-I1594 HydrophobicContact CZ-CG2 3.82Å
1506I87.9Confident85.2Confident70 Ų7038.7 Ų38.736%0.35920%0.204SC..Hα-helixtrans-54.2-45.4-167.8-63.7176.2000113.4C1502 S1508 L1509 L1510C1502-I1506 HydrophobicContact CB-CD1 3.76Å; C1502-I1506 HydrophobicContact CB-CG1 4.43Å; C1502-I1506 WeakPolarHBondContact O-CB 3.27Å; C1502-I1506 WeakPolarHBondContact O-CG1 3.31Å; C1502-I1506 PolarHBondContact O-N 3.08Å; I1506-S1508 VanDerWaalsContact C-N 3.29Å; I1506-S1508 PolarHBondContact O-N 3.05Å; I1506-L1509 PolarHBondContact O-N 3.41Å; I1506-L1510 HydrophobicContact CG2-CD1 3.97Å; I1506-L1510 HydrophobicContact CG2-CG 4.27Å; I1506-L1510 WeakPolarHBondContact O-CG 3.37Å; I1506-L1510 PolarHBondContact O-N 3.14Å
1507P90Very high85.1Confident42 Ų4237.4 Ų37.427%0.27320%0.201SC..Hα-helixtrans-56.6-40.5179.6-28.138000113.5L1510 V1511 W1661P1507-L1510 PolarHBondContact O-N 3.04Å; P1507-V1511 WeakPolarHBondContact O-CG2 3.28Å; P1507-V1511 PolarHBondContact O-N 3.08Å; P1507-V1511 VanDerWaalsContact O-N 3.07Å; P1507-W1661 HydrophobicContact CB-CH2 4.23Å; P1507-W1661 HydrophobicContact CB-CZ2 3.71Å
1508S90.8Very high85.2Confident2 Ų234.9 Ų34.91%0.01419%0.194CC..Hα-helixtrans-73.1-32.2-179.9-57.80000113F1505 I1506 V1511 C1512 W1661 L1665F1505-S1508 PolarHBondContact O-N 2.86Å; F1505-S1508 VanDerWaalsContact O-N 3.08Å; I1506-S1508 VanDerWaalsContact C-N 3.29Å; I1506-S1508 PolarHBondContact O-N 3.05Å; S1508-V1511 PolarHBondContact O-N 3.34Å; S1508-C1512 PolarHBondContact O-N 3.33Å; S1508-W1661 PolarHBondContact OG-NE1 3.15Å; S1508-W1661 VanDerWaalsContact OG-NE1 3.11Å; S1508-L1665 VanDerWaalsContact OG-CD1 3.32Å; S1508-L1665 WeakPolarHBondContact OG-CD1 3.11Å; S1508-L1665 WeakPolarHBondContact OG-CD2 3.3Å
1509L88.4Confident85.2Confident8 Ų831.8 Ų31.84%0.04218%0.175CC..Hα-helixtrans-68.1-40.8174.2-52.1179.9000111.1A1369 L1372 L1373 F1505 I1506 V1511 C1512 L1513 L1587A1369-L1509 HydrophobicContact CB-CD1 4.04Å; A1369-L1509 HydrophobicContact CB-CD2 4.35Å; A1369-L1509 VanDerWaalsContact O-CD1 3.27Å; A1369-L1509 WeakPolarHBondContact O-CD1 3.49Å; L1372-L1509 HydrophobicContact CB-CD1 4.47Å; L1372-L1509 HydrophobicContact CD2-CD1 3.68Å; L1373-L1509 HydrophobicContact CB-CD2 4.2Å; L1373-L1509 HydrophobicContact CD1-CB 4.48Å; L1373-L1509 HydrophobicContact CD2-CD2 4.49Å; F1505-L1509 WeakPolarHBondContact O-CG 3.02Å; F1505-L1509 PolarHBondContact O-N 2.81Å; I1506-L1509 PolarHBondContact O-N 3.41Å; L1509-V1511 VanDerWaalsContact C-N 3.32Å; L1509-V1511 PolarHBondContact O-N 3.24Å; L1509-C1512 WeakPolarHBondContact O-CB 3.18Å; L1509-C1512 PolarHBondContact O-N 2.81Å; L1509-L1513 PolarHBondContact O-N 3.13Å; L1509-L1513 VanDerWaalsContact O-N 3.11Å; L1509-L1587 HydrophobicContact CD2-CD1 4.23Å
1510L88.8Confident84.6Confident68 Ų6828.1 Ų28.136%0.35615%0.154SC..Hα-helixtrans-62.8-39.4173.9-67.3174000111.3L1376 I1506 P1507 L1513 F1514L1376-L1510 HydrophobicContact CD1-CD2 4.45Å; I1506-L1510 HydrophobicContact CG2-CD1 3.97Å; I1506-L1510 HydrophobicContact CG2-CG 4.27Å; I1506-L1510 WeakPolarHBondContact O-CG 3.37Å; I1506-L1510 PolarHBondContact O-N 3.14Å; P1507-L1510 PolarHBondContact O-N 3.04Å; L1510-L1513 PolarHBondContact O-N 2.83Å; L1510-F1514 HydrophobicContact CB-CD2 4.41Å; L1510-F1514 HydrophobicContact CB-CE2 4.18Å; L1510-F1514 WeakPolarHBondContact O-CD2 3.14Å; L1510-F1514 WeakPolarHBondContact O-CG 3.31Å; L1510-F1514 PolarHBondContact O-N 3.46Å
1511V90.4Very high84Confident10 Ų1032.5 Ų32.56%0.06118%0.176CC..Hα-helixtrans-66.9-40.7175.6171.50000112.4P1507 S1508 L1509 L1513 F1514 C1515 F1657 W1661P1507-V1511 WeakPolarHBondContact O-CG2 3.28Å; P1507-V1511 PolarHBondContact O-N 3.08Å; P1507-V1511 VanDerWaalsContact O-N 3.07Å; S1508-V1511 PolarHBondContact O-N 3.34Å; L1509-V1511 VanDerWaalsContact C-N 3.32Å; L1509-V1511 PolarHBondContact O-N 3.24Å; V1511-L1513 VanDerWaalsContact C-N 3.29Å; V1511-L1513 PolarHBondContact O-N 2.79Å; V1511-F1514 PolarHBondContact O-N 2.85Å; V1511-C1515 WeakPolarHBondContact O-CB 3.47Å; V1511-C1515 PolarHBondContact O-N 2.91Å; V1511-C1515 PolarHBondContact O-SG 3.27Å; V1511-F1657 HydrophobicContact CG1-CE1 4.21Å; V1511-W1661 HydrophobicContact CB-CD2 4.32Å; V1511-W1661 HydrophobicContact CB-CG 4.3Å; V1511-W1661 HydrophobicContact CG1-CB 4.04Å; V1511-W1661 HydrophobicContact CG1-CD2 4.26Å; V1511-W1661 HydrophobicContact CG1-CG 3.88Å; V1511-W1661 HydrophobicContact CG2-CD2 3.74Å; V1511-W1661 HydrophobicContact CG2-CE3 3.88Å; V1511-W1661 HydrophobicContact CG2-CG 4.22Å; V1511-W1661 HydrophobicContact CG2-CH2 4.29Å; V1511-W1661 HydrophobicContact CG2-CZ2 4.17Å; V1511-W1661 HydrophobicContact CG2-CZ3 4.13Å
1512C87.4Confident83.4Confident0 Ų039.6 Ų39.60%020%0.202CC..Hα-helixtrans-53.7-47.2170.3-77.50000111.8L1373 S1508 L1509 C1515 E1516 I1583 Y1590L1373-C1512 HydrophobicContact CD1-CB 4Å; L1373-C1512 HydrophobicContact CD2-CB 3.97Å; S1508-C1512 PolarHBondContact O-N 3.33Å; L1509-C1512 WeakPolarHBondContact O-CB 3.18Å; L1509-C1512 PolarHBondContact O-N 2.81Å; C1512-C1515 WeakPolarHBondContact O-CB 3.36Å; C1512-C1515 PolarHBondContact O-N 3.02Å; C1512-E1516 PolarHBondContact O-N 3.09Å; C1512-I1583 HydrophobicContact CB-CG2 4.28Å; C1512-Y1590 WeakPolarHBondContact SG-CE2 3.31Å
1513L84.3Confident82.6Confident15 Ų1537.7 Ų37.78%0.07919%0.19CC..Hα-helixtrans-65.5-41.9-179.6172.5153.6000113L1373 L1376 L1377 I1380 L1509 L1510 V1511 C1515 E1516 M1517L1373-L1513 HydrophobicContact CD1-CB 4.44Å; L1376-L1513 HydrophobicContact CB-CD1 3.46Å; L1376-L1513 VanDerWaalsContact CB-CD1 3.46Å; L1376-L1513 HydrophobicContact CD1-CD1 4.35Å; L1376-L1513 HydrophobicContact CG-CD1 4.44Å; L1377-L1513 HydrophobicContact CD2-CB 4.14Å; L1377-L1513 HydrophobicContact CD2-CD1 4.41Å; L1377-L1513 HydrophobicContact CD2-CG 4.21Å; I1380-L1513 HydrophobicContact CD1-CD1 3.54Å; I1380-L1513 HydrophobicContact CD1-CD2 3.82Å; I1380-L1513 HydrophobicContact CD1-CG 3.55Å; L1509-L1513 PolarHBondContact O-N 3.13Å; L1509-L1513 VanDerWaalsContact O-N 3.11Å; L1510-L1513 PolarHBondContact O-N 2.83Å; V1511-L1513 VanDerWaalsContact C-N 3.29Å; V1511-L1513 PolarHBondContact O-N 2.79Å; L1513-C1515 VanDerWaalsContact C-N 3.34Å; L1513-E1516 PolarHBondContact O-N 3.24Å; L1513-M1517 PolarHBondContact O-N 2.79Å
1514F86Confident81.1Confident127 Ų12741.1 Ų41.156%0.55720%0.201SC*.Hα-helixtrans-68.3-32.7174.9-70.9-54.2000112.3L1510 V1511 G1518L1510-F1514 HydrophobicContact CB-CD2 4.41Å; L1510-F1514 HydrophobicContact CB-CE2 4.18Å; L1510-F1514 WeakPolarHBondContact O-CD2 3.14Å; L1510-F1514 WeakPolarHBondContact O-CG 3.31Å; L1510-F1514 PolarHBondContact O-N 3.46Å; V1511-F1514 PolarHBondContact O-N 2.85Å; F1514-G1518 PolarHBondContact O-N 3.33Å
1515C85.6Confident79.5Confident1 Ų142.3 Ų42.31%0.00721%0.206CC..Hα-helixtrans-65.5-43171.6-70.50000111.9V1511 C1512 L1513 G1518 H1519V1511-C1515 WeakPolarHBondContact O-CB 3.47Å; V1511-C1515 PolarHBondContact O-N 2.91Å; V1511-C1515 PolarHBondContact O-SG 3.27Å; C1512-C1515 WeakPolarHBondContact O-CB 3.36Å; C1512-C1515 PolarHBondContact O-N 3.02Å; L1513-C1515 VanDerWaalsContact C-N 3.34Å; C1515-G1518 PolarHBondContact O-N 3.33Å; C1515-H1519 WeakPolarHBondContact O-CB 3.09Å; C1515-H1519 PolarHBondContact O-CD2 2.66Å; C1515-H1519 PolarHBondContact O-N 2.9Å
1516E79.2Confident78Confident12 Ų1244 Ų446%0.05622%0.216CC..Hα-helixtrans-61.4-52.3176.4-172.5161175.500111.4L1377 L1382 C1512 L1513 G1518 H1519 F1520 I1583L1377-E1516 VanDerWaalsContact CD1-OE2 3.27Å; L1377-E1516 WeakPolarHBondContact CD1-OE2 3.38Å; L1377-E1516 HydrophobicContact CD2-CB 4.41Å; L1377-E1516 WeakPolarHBondContact CD2-OE2 3.25Å; L1382-E1516 HydrophobicContact CD1-CG 4.16Å; C1512-E1516 PolarHBondContact O-N 3.09Å; L1513-E1516 PolarHBondContact O-N 3.24Å; E1516-G1518 PolarHBondContact O-N 2.91Å; E1516-H1519 PolarHBondContact O-N 3.34Å; E1516-F1520 HydrophobicContact CG-CD2 4.19Å; E1516-F1520 HydrophobicContact CG-CE2 4.28Å; E1516-F1520 PolarHBondContact O-N 2.81Å; E1516-I1583 HydrophobicContact CB-CD1 3.53Å; E1516-I1583 HydrophobicContact CB-CG1 4.33Å; E1516-I1583 HydrophobicContact CG-CD1 3.5Å
1517M78.1Confident76.2Confident39 Ų3945.9 Ų45.919%0.19222%0.223CC..Hα-helixtrans-57.5-46.5175.9-75-62.4-66.300112.3I1380 L1382 L1513 H1519 F1520 L1521I1380-M1517 HydrophobicContact CD1-CG 4.06Å; I1380-M1517 HydrophobicContact CD1-SD 4.21Å; I1380-M1517 HydrophobicContact CG2-SD 3.41Å; I1380-M1517 WeakPolarHBondContact CG2-SD 3.2Å; L1382-M1517 HydrophobicContact CD1-SD 3.87Å; L1382-M1517 HydrophobicContact CG-SD 4.35Å; L1513-M1517 PolarHBondContact O-N 2.79Å; M1517-H1519 PolarHBondContact O-N 3.32Å; M1517-F1520 PolarHBondContact O-N 3.01Å; M1517-L1521 WeakPolarHBondContact O-CB 3.42Å; M1517-L1521 VanDerWaalsContact O-CG 3.25Å; M1517-L1521 WeakPolarHBondContact O-CG 3.29Å; M1517-L1521 PolarHBondContact O-N 3.23Å
1518G79.3Confident74.4Confident15 Ų1548.3 Ų48.316%0.15523%0.234CC..Hα-helixtrans-62.2-43.5179.500000112.5F1514 C1515 E1516 L1521 W1522 I1654F1514-G1518 PolarHBondContact O-N 3.33Å; C1515-G1518 PolarHBondContact O-N 3.33Å; E1516-G1518 PolarHBondContact O-N 2.91Å; G1518-L1521 PolarHBondContact O-N 3.02Å; G1518-W1522 PolarHBondContact O-N 3.41Å; G1518-I1654 WeakPolarHBondContact O-CD1 3.44Å
1519H76.1Confident72.6Confident5 Ų549.6 Ų49.62%0.02324%0.242CC..Hα-helixtrans-66.3-37.5178.5-81.5-59.2000112.9C1515 E1516 M1517 A1523 L1579 L1650 S1651 S1655C1515-H1519 WeakPolarHBondContact O-CB 3.09Å; C1515-H1519 PolarHBondContact O-CD2 2.66Å; C1515-H1519 PolarHBondContact O-N 2.9Å; E1516-H1519 PolarHBondContact O-N 3.34Å; M1517-H1519 PolarHBondContact O-N 3.32Å; H1519-A1523 PolarHBondContact O-N 3.24Å; H1519-L1579 HydrophobicContact CB-CD2 3.56Å; H1519-L1650 WeakPolarHBondContact CE1-CD2 3.31Å; H1519-S1651 PolarHBondContact CE1-O 3.18Å; H1519-S1651 VanDerWaalsContact CE1-O 3.23Å; H1519-S1655 PolarHBondContact CE1-OG 2.78Å; H1519-S1655 VanDerWaalsContact CE1-OG 3.24Å; H1519-S1655 PolarHBondContact NE2-OG 3.31Å; H1519-S1655 VanDerWaalsContact NE2-OG 3.09Å
1520F71.5Confident70.8Confident35 Ų3553.6 Ų53.615%0.15426%0.26CS..Hα-helixtrans-65.2-43.1171.9-93.3-80.3000112.4L1382 E1516 M1517 W1522 A1523 I1576 L1579L1382-F1520 HydrophobicContact CD1-CD2 3.67Å; L1382-F1520 HydrophobicContact CD1-CE2 3.9Å; L1382-F1520 HydrophobicContact CD1-CG 4.31Å; L1382-F1520 HydrophobicContact CD2-CB 4.13Å; L1382-F1520 HydrophobicContact CD2-CD1 4.01Å; L1382-F1520 HydrophobicContact CD2-CD2 3.98Å; L1382-F1520 HydrophobicContact CD2-CE1 4.38Å; L1382-F1520 HydrophobicContact CD2-CE2 4.35Å; L1382-F1520 HydrophobicContact CD2-CG 3.79Å; L1382-F1520 HydrophobicContact CG-CD2 4.38Å; L1382-F1520 HydrophobicContact CG-CE2 4.5Å; E1516-F1520 HydrophobicContact CG-CD2 4.19Å; E1516-F1520 HydrophobicContact CG-CE2 4.28Å; E1516-F1520 PolarHBondContact O-N 2.81Å; M1517-F1520 PolarHBondContact O-N 3.01Å; F1520-W1522 VanDerWaalsContact C-N 3.25Å; F1520-W1522 PolarHBondContact O-N 3.29Å; F1520-A1523 PolarHBondContact O-N 3.06Å; F1520-I1576 HydrophobicContact CE1-CD1 4.46Å; F1520-I1576 HydrophobicContact CE1-CG1 4.04Å; F1520-I1576 HydrophobicContact CZ-CG1 4.01Å; F1520-I1576 HydrophobicContact CZ-CG2 4.31Å; F1520-L1579 HydrophobicContact CD2-CD1 4.49Å; F1520-L1579 HydrophobicContact CE2-CD1 4.35Å
1521L70.9Confident69Low112 Ų11256.4 Ų56.459%0.58627%0.272SS*.Hα-helixtrans-68.9-17.4-178.3-73168.4000114.4M1517 G1518M1517-L1521 WeakPolarHBondContact O-CB 3.42Å; M1517-L1521 VanDerWaalsContact O-CG 3.25Å; M1517-L1521 WeakPolarHBondContact O-CG 3.29Å; M1517-L1521 PolarHBondContact O-N 3.23Å; G1518-L1521 PolarHBondContact O-N 3.02Å
1522W69.8Low67.2Low161 Ų16158.7 Ų58.761%0.6129%0.288SS*.THydrogen-bonded Turntrans-116.813.7-178.4-84.339.8000113.5G1518 F1520 Q1524 I1653 I1654G1518-W1522 PolarHBondContact O-N 3.41Å; F1520-W1522 VanDerWaalsContact C-N 3.25Å; F1520-W1522 PolarHBondContact O-N 3.29Å; W1522-Q1524 PolarHBondContact O-N 3.31Å; W1522-Q1524 VanDerWaalsContact O-N 3.11Å; W1522-I1653 HydrophobicContact CZ3-CD1 4.21Å; W1522-I1654 HydrophobicContact CB-CD1 4.05Å; W1522-I1654 HydrophobicContact CD2-CD1 4.17Å; W1522-I1654 HydrophobicContact CE3-CD1 4.47Å; W1522-I1654 HydrophobicContact CG-CD1 4.01Å
1523A67.1Low65.6Low11 Ų1160.4 Ų60.49%0.09130%0.296CS..  trans-78.890.9178.200000111.5H1519 F1520 Q1525 L1526 L1575H1519-A1523 PolarHBondContact O-N 3.24Å; F1520-A1523 PolarHBondContact O-N 3.06Å; A1523-Q1525 PolarHBondContact O-N 2.95Å; A1523-L1526 HydrophobicContact CB-CD1 4.08Å; A1523-L1526 PolarHBondContact O-N 2.93Å; A1523-L1575 HydrophobicContact CB-CD2 4.39Å
1524Q55.9Low64.1Low117 Ų11766.5 Ų66.555%0.54732%0.319SS..THydrogen-bonded Turntrans-50.7-27.5-178.9-65.9-169-86.500114.2W1522 L1526 E1527 D1528W1522-Q1524 PolarHBondContact O-N 3.31Å; W1522-Q1524 VanDerWaalsContact O-N 3.11Å; Q1524-L1526 PolarHBondContact O-N 2.67Å; Q1524-E1527 WeakPolarHBondContact O-CB 3.41Å; Q1524-E1527 PolarHBondContact O-N 2.75Å; Q1524-D1528 PolarHBondContact O-N 2.66Å
1525Q55.6Low62.4Low28 Ų2864.7 Ų64.713%0.13132%0.315CS..Hα-helixtrans-64.7-16.7177.9-67.3-169.2-16.700114.6A1523 C1529 L1575A1523-Q1525 PolarHBondContact O-N 2.95Å; Q1525-C1529 PolarHBondContact O-N 3.01Å; Q1525-L1575 HydrophobicContact CB-CD2 4.49Å
1526L54.2Low60.9Low45 Ų4567.1 Ų67.124%0.23633%0.327CS..Hα-helixtrans-67.1-38.8167.5-94.482.6000111.3W1403 A1523 Q1524 H1530 L1572W1403-L1526 HydrophobicContact CZ3-CD2 4.41Å; A1523-L1526 HydrophobicContact CB-CD1 4.08Å; A1523-L1526 PolarHBondContact O-N 2.93Å; Q1524-L1526 PolarHBondContact O-N 2.67Å; L1526-H1530 VanDerWaalsContact O-CB 3.31Å; L1526-H1530 WeakPolarHBondContact O-CB 3.46Å; L1526-H1530 PolarHBondContact O-N 3.03Å; L1526-L1572 HydrophobicContact CD1-CD1 4.01Å
1527E51.2Low59.4Low111 Ų11172.6 Ų72.652%0.51935%0.348SS..Hα-helixtrans-69.6-40.7-179.7-57.8177.9132.200110.5Q1524 H1530 Q1531Q1524-E1527 WeakPolarHBondContact O-CB 3.41Å; Q1524-E1527 PolarHBondContact O-N 2.75Å; E1527-H1530 PolarHBondContact O-N 3.41Å; E1527-Q1531 PolarHBondContact O-N 3.18Å
1528D51.7Low58Low93 Ų9372.7 Ų72.750%0.49735%0.351SS..Hα-helixtrans-60.4-46.8174.2-74.6-29.6000113Q1524 S1532Q1524-D1528 PolarHBondContact O-N 2.66Å; D1528-S1532 WeakPolarHBondContact O-CB 3.44Å; D1528-S1532 PolarHBondContact O-N 2.8Å; D1528-S1532 PolarHBondContact O-OG 2.8Å
1529C53Low56.7Low28 Ų2876.9 Ų76.919%0.18937%0.37CS..Hα-helixtrans-68.5-37175.6-72.80000110.5Q1525 S1532 F1533 C1568Q1525-C1529 PolarHBondContact O-N 3.01Å; C1529-S1532 PolarHBondContact O-N 3.35Å; C1529-F1533 WeakPolarHBondContact O-CD2 3.4Å; C1529-F1533 PolarHBondContact O-N 3.42Å; C1529-C1568 HydrophobicContact CB-CB 4.26Å; C1529-C1568 WeakPolarHBondContact CB-SG 3.36Å; C1529-C1568 WeakPolarHBondContact SG-CB 3.44Å; C1529-C1568 CovalentContact SG-SG 2.06Å; C1529-C1568 PolarHBondContact SG-SG 2.96Å
1530H51.8Low55.4Low92 Ų9283.7 Ų83.743%0.42640%0.399SS..Hα-helixtrans-61.8-44.8176.2-163.3-72.8000112.1L1526 E1527 F1533 Y1534L1526-H1530 VanDerWaalsContact O-CB 3.31Å; L1526-H1530 WeakPolarHBondContact O-CB 3.46Å; L1526-H1530 PolarHBondContact O-N 3.03Å; E1527-H1530 PolarHBondContact O-N 3.41Å; H1530-F1533 PolarHBondContact O-N 2.95Å; H1530-Y1534 VanDerWaalsContact O-CB 3.24Å; H1530-Y1534 WeakPolarHBondContact O-CB 3.35Å; H1530-Y1534 PolarHBondContact O-N 3.3Å
1531Q50.5Low54.1Low128 Ų12889.1 Ų89.160%0.59842%0.424SS*.Hα-helixtrans-63.9-40.2172.7-74.5-169-7.900112.3E1527 F1533 Y1534 N1535E1527-Q1531 PolarHBondContact O-N 3.18Å; Q1531-F1533 PolarHBondContact O-N 3.05Å; Q1531-Y1534 PolarHBondContact O-N 3.42Å; Q1531-N1535 WeakPolarHBondContact O-CB 3.29Å; Q1531-N1535 VanDerWaalsContact O-CG 3.26Å; Q1531-N1535 PolarHBondContact O-N 3.42Å; Q1531-N1535 PolarHBondContact O-ND2 3.22Å
1532S53.2Low52.8Low58 Ų5890 Ų9041%0.40643%0.429SS..Hα-helixtrans-62.9-41.2178-62.40000112.5D1528 C1529 I1536D1528-S1532 WeakPolarHBondContact O-CB 3.44Å; D1528-S1532 PolarHBondContact O-N 2.8Å; D1528-S1532 PolarHBondContact O-OG 2.8Å; C1529-S1532 PolarHBondContact O-N 3.35Å; S1532-I1536 WeakPolarHBondContact O-CD1 3.18Å; S1532-I1536 VanDerWaalsContact O-CG1 3.32Å; S1532-I1536 WeakPolarHBondContact O-CG1 3.4Å; S1532-I1536 PolarHBondContact O-N 2.87Å
1533F52.4Low51.4Low36 Ų3690.2 Ų90.216%0.15844%0.437CS..Hα-helixtrans-73.8-39.1175.4-87.5-86.6000112.4L1401 C1529 H1530 Q1531 N1535 I1536 Y1537 Q1565 C1568 L1569L1401-F1533 HydrophobicContact CD1-CE1 3.83Å; L1401-F1533 HydrophobicContact CD1-CZ 4.32Å; L1401-F1533 HydrophobicContact CD2-CD1 3.56Å; L1401-F1533 HydrophobicContact CD2-CE1 3.37Å; L1401-F1533 HydrophobicContact CD2-CG 4.4Å; L1401-F1533 HydrophobicContact CD2-CZ 4.1Å; L1401-F1533 HydrophobicContact CG-CE1 4.23Å; C1529-F1533 WeakPolarHBondContact O-CD2 3.4Å; C1529-F1533 PolarHBondContact O-N 3.42Å; H1530-F1533 PolarHBondContact O-N 2.95Å; Q1531-F1533 PolarHBondContact O-N 3.05Å; F1533-N1535 PolarHBondContact O-N 2.86Å; F1533-I1536 PolarHBondContact O-N 3.5Å; F1533-Y1537 PolarHBondContact O-N 2.74Å; F1533-Q1565 HydrophobicContact CE1-CB 4.46Å; F1533-Q1565 HydrophobicContact CE1-CG 3.67Å; F1533-Q1565 VanDerWaalsContact CE1-NE2 3.34Å; F1533-Q1565 HydrophobicContact CZ-CB 4.05Å; F1533-Q1565 HydrophobicContact CZ-CG 3.69Å; F1533-C1568 HydrophobicContact CE2-CB 4.35Å; F1533-L1569 HydrophobicContact CZ-CD1 4.3Å
1534Y53.7Low50.1Low143 Ų14393.8 Ų93.856%0.56147%0.466SS*.Hα-helixtrans-57-49.5174.7-177.1-97.4000111.3H1530 Q1531 I1536 Y1537 T1538H1530-Y1534 VanDerWaalsContact O-CB 3.24Å; H1530-Y1534 WeakPolarHBondContact O-CB 3.35Å; H1530-Y1534 PolarHBondContact O-N 3.3Å; Q1531-Y1534 PolarHBondContact O-N 3.42Å; Y1534-I1536 VanDerWaalsContact C-N 3.27Å; Y1534-I1536 PolarHBondContact O-N 2.91Å; Y1534-Y1537 PolarHBondContact O-N 3.03Å; Y1534-T1538 HydrophobicContact CD1-CG2 4.02Å; Y1534-T1538 HydrophobicContact CE1-CG2 3.65Å; Y1534-T1538 HydrophobicContact CE2-CG2 4.21Å; Y1534-T1538 HydrophobicContact CG-CG2 4.45Å; Y1534-T1538 PolarHBondContact O-N 2.94Å; Y1534-T1538 PolarHBondContact O-OG1 3.43Å
1535N49.6Very low49.2Very low88 Ų8895.6 Ų95.647%0.47148%0.479SS..Hα-helixtrans-61.8-30.7177.5-70.7-23.1000113.4Q1531 F1533 T1538 N1539Q1531-N1535 WeakPolarHBondContact O-CB 3.29Å; Q1531-N1535 VanDerWaalsContact O-CG 3.26Å; Q1531-N1535 PolarHBondContact O-N 3.42Å; Q1531-N1535 PolarHBondContact O-ND2 3.22Å; F1533-N1535 PolarHBondContact O-N 2.86Å; N1535-T1538 WeakPolarHBondContact CA-OG1 3.47Å; N1535-T1538 PolarHBondContact O-OG1 2.91Å; N1535-N1539 WeakPolarHBondContact O-CB 3.38Å; N1535-N1539 PolarHBondContact O-N 3.3Å; N1535-N1539 PolarHBondContact O-ND2 2.89Å; N1535-N1539 PolarHBondContact O-OD1 3.23Å
1536I53.6Low48.6Very low53 Ų5399.9 Ų99.927%0.27251%0.509SS..Hα-helixtrans-71.1-40.8172.7-69.7166000110.4S1532 F1533 Y1534 K1540S1532-I1536 WeakPolarHBondContact O-CD1 3.18Å; S1532-I1536 VanDerWaalsContact O-CG1 3.32Å; S1532-I1536 WeakPolarHBondContact O-CG1 3.4Å; S1532-I1536 PolarHBondContact O-N 2.87Å; F1533-I1536 PolarHBondContact O-N 3.5Å; Y1534-I1536 VanDerWaalsContact C-N 3.27Å; Y1534-I1536 PolarHBondContact O-N 2.91Å; I1536-K1540 WeakPolarHBondContact O-CB 3.4Å; I1536-K1540 PolarHBondContact O-N 3.18Å
1537Y47.8Very low47.7Very low127 Ų127105.4 Ų105.450%0.49854%0.538SS..Hα-helixtrans-70.5-42.9-178.4-151-83.2000112.3F1533 Y1534 K1540 F1541F1533-Y1537 PolarHBondContact O-N 2.74Å; Y1534-Y1537 PolarHBondContact O-N 3.03Å; Y1537-K1540 PolarHBondContact O-N 3.05Å; Y1537-F1541 HydrophobicContact CD1-CD2 4.11Å; Y1537-F1541 HydrophobicContact CD1-CE2 4.27Å; Y1537-F1541 AromaticContact CE1-CD2 3.92Å; Y1537-F1541 HydrophobicContact CE1-CD2 3.92Å; Y1537-F1541 AromaticContact CE1-CE2 3.61Å; Y1537-F1541 HydrophobicContact CE1-CE2 3.61Å; Y1537-F1541 PolarHBondContact O-N 3.15Å
1538T50.3Low47.4Very low41 Ų41107.2 Ų107.225%0.25255%0.55SS.*Hα-helixtrans-65.4-42.2176.954.10000112.1Y1534 N1535 K1540 F1541 N1542Y1534-T1538 HydrophobicContact CD1-CG2 4.02Å; Y1534-T1538 HydrophobicContact CE1-CG2 3.65Å; Y1534-T1538 HydrophobicContact CE2-CG2 4.21Å; Y1534-T1538 HydrophobicContact CG-CG2 4.45Å; Y1534-T1538 PolarHBondContact O-N 2.94Å; Y1534-T1538 PolarHBondContact O-OG1 3.43Å; N1535-T1538 WeakPolarHBondContact CA-OG1 3.47Å; N1535-T1538 PolarHBondContact O-OG1 2.91Å; T1538-K1540 VanDerWaalsContact C-N 3.29Å; T1538-K1540 PolarHBondContact O-N 3.19Å; T1538-F1541 PolarHBondContact O-N 2.81Å; T1538-N1542 PolarHBondContact O-N 3.03Å
1539N50.3Low46.7Very low103 Ų103110.4 Ų110.455%0.55157%0.567SS**Hα-helixtrans-64.9-35.7178.6-71.5-0.2000111.6N1535 F1541 N1542N1535-N1539 WeakPolarHBondContact O-CB 3.38Å; N1535-N1539 PolarHBondContact O-N 3.3Å; N1535-N1539 PolarHBondContact O-ND2 2.89Å; N1535-N1539 PolarHBondContact O-OD1 3.23Å; N1539-F1541 VanDerWaalsContact C-N 3.25Å; N1539-F1541 PolarHBondContact O-N 2.97Å; N1539-N1542 PolarHBondContact O-N 3.09Å
1540K50.3Low46.4Very low147 Ų147114.2 Ų114.264%0.63959%0.586SS**Hα-helixtrans-68.1-20.8177.3-159.6-179.3-179.1-169.80113.9I1536 Y1537 T1538I1536-K1540 WeakPolarHBondContact O-CB 3.4Å; I1536-K1540 PolarHBondContact O-N 3.18Å; Y1537-K1540 PolarHBondContact O-N 3.05Å; T1538-K1540 VanDerWaalsContact C-N 3.29Å; T1538-K1540 PolarHBondContact O-N 3.19Å
1541F43.1Very low46.3Very low150 Ų150114.6 Ų114.666%0.65860%0.599SS**Hα-helixtrans-91.7-18.8176.1-99.2-86000114.2Y1537 T1538 N1539Y1537-F1541 HydrophobicContact CD1-CD2 4.11Å; Y1537-F1541 HydrophobicContact CD1-CE2 4.27Å; Y1537-F1541 AromaticContact CE1-CD2 3.92Å; Y1537-F1541 HydrophobicContact CE1-CD2 3.92Å; Y1537-F1541 AromaticContact CE1-CE2 3.61Å; Y1537-F1541 HydrophobicContact CE1-CE2 3.61Å; Y1537-F1541 PolarHBondContact O-N 3.15Å; T1538-F1541 PolarHBondContact O-N 2.81Å; N1539-F1541 VanDerWaalsContact C-N 3.25Å; N1539-F1541 PolarHBondContact O-N 2.97Å
1542N42.8Very low46.2Very low130 Ų130114.5 Ų114.570%0.69560%0.598SS**Hα-helixtrans-87.2-16.3-177.5-72.7-18.9000114.1T1538 N1539 A1544T1538-N1542 PolarHBondContact O-N 3.03Å; N1539-N1542 PolarHBondContact O-N 3.09Å; N1542-A1544 VanDerWaalsContact C-N 3.29Å; N1542-A1544 PolarHBondContact O-N 3.17Å; N1542-A1544 VanDerWaalsContact O-N 3.14Å
1543E40.9Very low46Very low166 Ų166114.2 Ų114.278%0.77660%0.6SS**  trans-88.454178.9-67.8-169.3153.100113.3N1545E1543-N1545 VanDerWaalsContact C-N 3.28Å; E1543-N1545 PolarHBondContact O-N 3.01Å
1544A39.4Very low45.7Very low85 Ų85118.9 Ų118.970%0.70262%0.617SS**  trans-89.648.117200000112.6N1542N1542-A1544 VanDerWaalsContact C-N 3.29Å; N1542-A1544 PolarHBondContact O-N 3.17Å; N1542-A1544 VanDerWaalsContact O-N 3.14Å
1545N37.2Very low45.4Very low155 Ų155116 Ų11683%0.82962%0.615SS**  trans-141.9111.4176.5-93.2-44.9000110.9E1543E1543-N1545 VanDerWaalsContact C-N 3.28Å; E1543-N1545 PolarHBondContact O-N 3.01Å
1546P43.3Very low45.5Very low118 Ų118117.9 Ų117.977%0.76662%0.618SS**  trans-92.7115.5-176.833.1-30.7000112.4
1547L36.2Very low45.3Very low161 Ų161119.2 Ų119.284%0.84363%0.629SS**  trans178.173.6154.4-102.9161.7000113.4
1548I43.4Very low45.2Very low150 Ų150117 Ų11777%0.76963%0.626SS**  trans-139.4122.2162.1-57.2-178000109.7D1550I1548-D1550 HydrophobicContact CG2-CB 4.3Å; I1548-D1550 PolarHBondContact O-N 3.45Å
1549N38.3Very low45.3Very low159 Ų159118.4 Ų118.485%0.8564%0.637SS**  trans-96.953.4-177.1-76.7-18.3000112.9
1550D45.7Very low45.5Very low109 Ų109116.7 Ų116.758%0.58363%0.633SS**  trans-131.898.7178-94.5-51.7000113I1548 E1552 A1553I1548-D1550 HydrophobicContact CG2-CB 4.3Å; I1548-D1550 PolarHBondContact O-N 3.45Å; D1550-E1552 PolarHBondContact O-N 3.38Å; D1550-A1553 HydrophobicContact CB-CB 4.1Å; D1550-A1553 PolarHBondContact O-N 2.92Å
1551S49.6Very low45.6Very low100 Ų100111.7 Ų111.770%0.69962%0.617SS**Hα-helixtrans-71-25.8-178.954.20000113.8T1555S1551-T1555 WeakPolarHBondContact O-CG2 3.29Å; S1551-T1555 PolarHBondContact O-N 2.85Å; S1551-T1555 PolarHBondContact O-OG1 3.23Å
1552E50Low46Very low125 Ų125109.7 Ų109.758%0.58461%0.605SS**Hα-helixtrans-70.1-33173.2-78.9-138.6158.900113.2D1550 T1555 K1556D1550-E1552 PolarHBondContact O-N 3.38Å; E1552-T1555 WeakPolarHBondContact CA-OG1 3.42Å; E1552-T1555 PolarHBondContact O-OG1 2.77Å; E1552-K1556 WeakPolarHBondContact O-CD 3.37Å; E1552-K1556 WeakPolarHBondContact O-CG 3.05Å; E1552-K1556 PolarHBondContact O-N 2.94Å; E1552-K1556 IonicContact OE2-NZ 2.79Å; E1552-K1556 PolarHBondContact OE2-NZ 3.5Å
1553A47.8Very low46.6Very low53 Ų53106.3 Ų106.344%0.43860%0.596SS.*Hα-helixtrans-70.1-49.3-179.900000110.5D1550 T1555 K1556 T1557D1550-A1553 HydrophobicContact CB-CB 4.1Å; D1550-A1553 PolarHBondContact O-N 2.92Å; A1553-T1555 VanDerWaalsContact C-N 3.31Å; A1553-T1555 PolarHBondContact O-N 2.8Å; A1553-K1556 PolarHBondContact O-N 2.81Å; A1553-T1557 PolarHBondContact O-N 3.35Å; A1553-T1557 VanDerWaalsContact O-N 3.08Å; A1553-T1557 PolarHBondContact O-OG1 3.3Å
1554Y46Very low47.3Very low134 Ų134107.7 Ų107.753%0.52559%0.594SS.*Hα-helixtrans-63.1-35.2179.9-164.8-99.1000112.6T1557 L1558Y1554-T1557 PolarHBondContact O-OG1 3.22Å; Y1554-T1557 VanDerWaalsContact O-OG1 3.06Å; Y1554-L1558 VanDerWaalsContact O-CB 3.29Å; Y1554-L1558 WeakPolarHBondContact O-CB 3.35Å; Y1554-L1558 PolarHBondContact O-N 3.21Å
1555T48.8Very low48Very low83 Ų83105.3 Ų105.351%0.50957%0.568SS.*Hα-helixtrans-72.8-31175.947.70000113S1551 E1552 A1553 S1559S1551-T1555 WeakPolarHBondContact O-CG2 3.29Å; S1551-T1555 PolarHBondContact O-N 2.85Å; S1551-T1555 PolarHBondContact O-OG1 3.23Å; E1552-T1555 WeakPolarHBondContact CA-OG1 3.42Å; E1552-T1555 PolarHBondContact O-OG1 2.77Å; A1553-T1555 VanDerWaalsContact C-N 3.31Å; A1553-T1555 PolarHBondContact O-N 2.8Å; T1555-S1559 VanDerWaalsContact O-CB 3.27Å; T1555-S1559 WeakPolarHBondContact O-CB 3.43Å; T1555-S1559 PolarHBondContact O-N 3.2Å; T1555-S1559 PolarHBondContact O-OG 2.96Å
1556K50.7Low49Very low126 Ų126101.1 Ų101.155%0.54855%0.548SS..Hα-helixtrans-72-37.2173.4-76.8165-177.9151.70112.8E1552 A1553 S1559 S1560E1552-K1556 WeakPolarHBondContact O-CD 3.37Å; E1552-K1556 WeakPolarHBondContact O-CG 3.05Å; E1552-K1556 PolarHBondContact O-N 2.94Å; E1552-K1556 IonicContact OE2-NZ 2.79Å; E1552-K1556 PolarHBondContact OE2-NZ 3.5Å; A1553-K1556 PolarHBondContact O-N 2.81Å; K1556-S1559 PolarHBondContact O-OG 2.76Å; K1556-S1560 WeakPolarHBondContact O-CB 3.37Å; K1556-S1560 PolarHBondContact O-N 2.97Å; K1556-S1560 PolarHBondContact O-OG 3.34Å
1557T49.8Very low49.9Very low81 Ų8198 Ų9850%0.49753%0.529SS..Hα-helixtrans-72.6-39.417553.10000112.5A1553 Y1554 S1560 S1561A1553-T1557 PolarHBondContact O-N 3.35Å; A1553-T1557 VanDerWaalsContact O-N 3.08Å; A1553-T1557 PolarHBondContact O-OG1 3.3Å; Y1554-T1557 PolarHBondContact O-OG1 3.22Å; Y1554-T1557 VanDerWaalsContact O-OG1 3.06Å; T1557-S1560 PolarHBondContact O-OG 3.23Å; T1557-S1561 WeakPolarHBondContact O-CB 3.31Å; T1557-S1561 PolarHBondContact O-N 3.45Å; T1557-S1561 VanDerWaalsContact O-N 3.13Å; T1557-S1561 PolarHBondContact O-OG 3.42Å
1558L46.4Very low51.1Low82 Ų8291.4 Ų91.443%0.42950%0.496SS..Hα-helixtrans-67.8-44.3177.8-160.173.2000112.1Y1554 S1561 Y1562Y1554-L1558 VanDerWaalsContact O-CB 3.29Å; Y1554-L1558 WeakPolarHBondContact O-CB 3.35Å; Y1554-L1558 PolarHBondContact O-N 3.21Å; L1558-S1561 PolarHBondContact O-N 3.45Å; L1558-Y1562 PolarHBondContact O-N 3.01Å
1559S52.3Low51.9Low70 Ų7085 Ų8549%0.4946%0.464SS..Hα-helixtrans-68.1-39.6179.355.80000113.4T1555 K1556 S1561 Y1562 A1563T1555-S1559 VanDerWaalsContact O-CB 3.27Å; T1555-S1559 WeakPolarHBondContact O-CB 3.43Å; T1555-S1559 PolarHBondContact O-N 3.2Å; T1555-S1559 PolarHBondContact O-OG 2.96Å; K1556-S1559 PolarHBondContact O-OG 2.76Å; S1559-S1561 VanDerWaalsContact C-N 3.33Å; S1559-S1561 PolarHBondContact O-N 2.96Å; S1559-Y1562 PolarHBondContact O-N 3.44Å; S1559-A1563 WeakPolarHBondContact O-CB 3.06Å; S1559-A1563 PolarHBondContact O-N 3.33Å
1560S53.8Low53.2Low66 Ų6679.9 Ų79.946%0.46244%0.44SS..Hα-helixtrans-67.3-32.3174.754.70000112.9K1556 T1557 R1564K1556-S1560 WeakPolarHBondContact O-CB 3.37Å; K1556-S1560 PolarHBondContact O-N 2.97Å; K1556-S1560 PolarHBondContact O-OG 3.34Å; T1557-S1560 PolarHBondContact O-OG 3.23Å; S1560-R1564 PolarHBondContact O-N 3.14Å; S1560-R1564 VanDerWaalsContact O-N 3.09Å
1561S52.9Low54.2Low42 Ų4278.6 Ų78.629%0.29443%0.429SS..Hα-helixtrans-66.7-46.6171.8-59.40000111.9T1557 L1558 S1559 A1563 R1564 Q1565T1557-S1561 WeakPolarHBondContact O-CB 3.31Å; T1557-S1561 PolarHBondContact O-N 3.45Å; T1557-S1561 VanDerWaalsContact O-N 3.13Å; T1557-S1561 PolarHBondContact O-OG 3.42Å; L1558-S1561 PolarHBondContact O-N 3.45Å; S1559-S1561 VanDerWaalsContact C-N 3.33Å; S1559-S1561 PolarHBondContact O-N 2.96Å; S1561-A1563 VanDerWaalsContact C-N 3.35Å; S1561-A1563 PolarHBondContact O-N 2.95Å; S1561-R1564 WeakPolarHBondContact O-CB 3.43Å; S1561-R1564 PolarHBondContact O-N 3.07Å; S1561-Q1565 PolarHBondContact O-N 3.08Å
1562Y51.6Low55Low108 Ų10874.6 Ų74.642%0.42440%0.4SS..Hα-helixtrans-63.4-40176.9-148-91.3000111.8L1558 S1559 R1564 Q1565 V1566L1558-Y1562 PolarHBondContact O-N 3.01Å; S1559-Y1562 PolarHBondContact O-N 3.44Å; Y1562-R1564 VanDerWaalsContact C-N 3.34Å; Y1562-R1564 PolarHBondContact O-N 3.01Å; Y1562-Q1565 PolarHBondContact O-N 2.91Å; Y1562-V1566 HydrophobicContact CD1-CG2 4.08Å; Y1562-V1566 HydrophobicContact CE1-CG2 4.21Å; Y1562-V1566 WeakPolarHBondContact O-CG2 3.4Å; Y1562-V1566 PolarHBondContact O-N 3.41Å
1563A55Low56Low60 Ų6071.1 Ų71.150%0.49639%0.389SS..Hα-helixtrans-62.1-37.5174.200000112.7S1559 S1561 S1567S1559-A1563 WeakPolarHBondContact O-CB 3.06Å; S1559-A1563 PolarHBondContact O-N 3.33Å; S1561-A1563 VanDerWaalsContact C-N 3.35Å; S1561-A1563 PolarHBondContact O-N 2.95Å; A1563-S1567 WeakPolarHBondContact O-CB 3.06Å; A1563-S1567 PolarHBondContact O-N 2.76Å
1564R55.7Low57.1Low194 Ų19471.3 Ų71.373%0.73238%0.382SS*.Hα-helixtrans-64.9-42.7171.9-91.9-178170.9154.3-2.2112.5S1560 S1561 Y1562 S1567 C1568S1560-R1564 PolarHBondContact O-N 3.14Å; S1560-R1564 VanDerWaalsContact O-N 3.09Å; S1561-R1564 WeakPolarHBondContact O-CB 3.43Å; S1561-R1564 PolarHBondContact O-N 3.07Å; Y1562-R1564 VanDerWaalsContact C-N 3.34Å; Y1562-R1564 PolarHBondContact O-N 3.01Å; R1564-S1567 PolarHBondContact O-N 2.85Å; R1564-C1568 PolarHBondContact O-N 3.12Å
1565Q53.7Low58.2Low35 Ų3565.1 Ų65.116%0.16436%0.359CS..Hα-helixtrans-60.8-48.5176.2-68-177.2-24.200111.6F1533 S1561 Y1562 S1567 C1568 L1569F1533-Q1565 HydrophobicContact CE1-CB 4.46Å; F1533-Q1565 HydrophobicContact CE1-CG 3.67Å; F1533-Q1565 VanDerWaalsContact CE1-NE2 3.34Å; F1533-Q1565 HydrophobicContact CZ-CB 4.05Å; F1533-Q1565 HydrophobicContact CZ-CG 3.69Å; S1561-Q1565 PolarHBondContact O-N 3.08Å; Y1562-Q1565 PolarHBondContact O-N 2.91Å; Q1565-S1567 PolarHBondContact O-N 3.26Å; Q1565-C1568 PolarHBondContact O-N 2.73Å; Q1565-L1569 PolarHBondContact O-N 2.95Å
1566V59Low59.3Low67 Ų6761.7 Ų61.741%0.40634%0.337SS..Hα-helixtrans-61.1-32.2175.11750000111.8F1388 Y1562 S1570F1388-V1566 HydrophobicContact CE2-CG2 4.09Å; F1388-V1566 HydrophobicContact CZ-CG2 3.78Å; Y1562-V1566 HydrophobicContact CD1-CG2 4.08Å; Y1562-V1566 HydrophobicContact CE1-CG2 4.21Å; Y1562-V1566 WeakPolarHBondContact O-CG2 3.4Å; Y1562-V1566 PolarHBondContact O-N 3.41Å; V1566-S1570 WeakPolarHBondContact O-CB 3.41Å; V1566-S1570 PolarHBondContact O-N 3.15Å; V1566-S1570 PolarHBondContact O-OG 3.4Å
1567S62.2Low60.4Low53 Ų5358.8 Ų58.837%0.37133%0.331SS..Hα-helixtrans-73.4-39.8174.7-171.10000113.6A1563 R1564 Q1565 S1570 K1571A1563-S1567 WeakPolarHBondContact O-CB 3.06Å; A1563-S1567 PolarHBondContact O-N 2.76Å; R1564-S1567 PolarHBondContact O-N 2.85Å; Q1565-S1567 PolarHBondContact O-N 3.26Å; S1567-S1570 WeakPolarHBondContact CA-OG 3.42Å; S1567-S1570 PolarHBondContact O-OG 2.83Å; S1567-K1571 WeakPolarHBondContact O-CB 3.35Å; S1567-K1571 VanDerWaalsContact O-CG 3.29Å; S1567-K1571 WeakPolarHBondContact O-CG 3.4Å; S1567-K1571 PolarHBondContact O-N 3.41Å; S1567-K1571 VanDerWaalsContact O-N 3.12Å
1568C60.8Low61.7Low22 Ų2255.5 Ų55.515%0.14931%0.312CS..Hα-helixtrans-62.7-46.1171.5-111.50000110.5C1529 F1533 R1564 Q1565 S1570 K1571 L1572C1529-C1568 HydrophobicContact CB-CB 4.26Å; C1529-C1568 WeakPolarHBondContact CB-SG 3.36Å; C1529-C1568 WeakPolarHBondContact SG-CB 3.44Å; C1529-C1568 CovalentContact SG-SG 2.06Å; C1529-C1568 PolarHBondContact SG-SG 2.96Å; F1533-C1568 HydrophobicContact CE2-CB 4.35Å; R1564-C1568 PolarHBondContact O-N 3.12Å; Q1565-C1568 PolarHBondContact O-N 2.73Å; C1568-S1570 PolarHBondContact O-N 2.97Å; C1568-K1571 PolarHBondContact O-N 2.98Å; C1568-L1572 WeakPolarHBondContact O-CB 3.49Å; C1568-L1572 PolarHBondContact O-N 2.92Å
1569L59.9Low63.2Low17 Ų1751.8 Ų51.89%0.08929%0.292CS..Hα-helixtrans-65.7-37.6-179.5-99.276.3000113.8P1386 F1388 F1533 Q1565 S1573P1386-L1569 HydrophobicContact CB-CD1 4.44Å; P1386-L1569 HydrophobicContact CB-CD2 3.79Å; P1386-L1569 HydrophobicContact CB-CG 3.73Å; P1386-L1569 HydrophobicContact CG-CB 4.31Å; P1386-L1569 HydrophobicContact CG-CD2 3.79Å; P1386-L1569 HydrophobicContact CG-CG 3.6Å; F1388-L1569 HydrophobicContact CD2-CD2 3.61Å; F1388-L1569 HydrophobicContact CE2-CD2 3.5Å; F1388-L1569 HydrophobicContact CG-CD2 4.34Å; F1388-L1569 HydrophobicContact CZ-CD2 4.13Å; F1533-L1569 HydrophobicContact CZ-CD1 4.3Å; Q1565-L1569 PolarHBondContact O-N 2.95Å; L1569-S1573 PolarHBondContact O-N 3.06Å; L1569-S1573 PolarHBondContact O-OG 3.35Å
1570S66.1Low64.5Low50 Ų5049.8 Ų49.835%0.3528%0.275SS..Hα-helixtrans-70.4-40.4176.451.80000111.9V1566 S1567 C1568 S1573 I1574V1566-S1570 WeakPolarHBondContact O-CB 3.41Å; V1566-S1570 PolarHBondContact O-N 3.15Å; V1566-S1570 PolarHBondContact O-OG 3.4Å; S1567-S1570 WeakPolarHBondContact CA-OG 3.42Å; S1567-S1570 PolarHBondContact O-OG 2.83Å; C1568-S1570 PolarHBondContact O-N 2.97Å; S1570-S1573 PolarHBondContact O-N 3.44Å; S1570-S1573 PolarHBondContact O-OG 2.84Å; S1570-S1573 VanDerWaalsContact O-OG 3.05Å; S1570-I1574 WeakPolarHBondContact O-CD1 3.48Å; S1570-I1574 VanDerWaalsContact O-CG1 3.26Å; S1570-I1574 WeakPolarHBondContact O-CG1 3.42Å; S1570-I1574 PolarHBondContact O-N 3.21Å; S1570-I1574 VanDerWaalsContact O-N 3.1Å
1571K66.6Low65.8Low83 Ų8347.1 Ų47.136%0.36126%0.255SS..Hα-helixtrans-60.1-46.2171.7-72.9178.3177.2-172.60112.3S1567 C1568 I1574 L1575 L1642S1567-K1571 WeakPolarHBondContact O-CB 3.35Å; S1567-K1571 VanDerWaalsContact O-CG 3.29Å; S1567-K1571 WeakPolarHBondContact O-CG 3.4Å; S1567-K1571 PolarHBondContact O-N 3.41Å; S1567-K1571 VanDerWaalsContact O-N 3.12Å; C1568-K1571 PolarHBondContact O-N 2.98Å; K1571-I1574 PolarHBondContact O-N 3.2Å; K1571-L1575 PolarHBondContact O-N 3.29Å; K1571-L1642 HydrophobicContact CB-CD2 3.91Å; K1571-L1642 HydrophobicContact CD-CD2 4.01Å; K1571-L1642 HydrophobicContact CG-CD2 3.68Å; K1571-L1642 HydrophobicContact CG-CG 4.36Å
1572L66.9Low67.3Low16 Ų1646 Ų468%0.08425%0.246CC..Hα-helixtrans-63.4-41.4178.8-173.275.7000112.4P1386 W1403 L1526 C1568 L1575 I1576P1386-L1572 HydrophobicContact CB-CD2 4.18Å; P1386-L1572 HydrophobicContact CG-CD2 4.13Å; W1403-L1572 HydrophobicContact CH2-CD2 3.54Å; W1403-L1572 HydrophobicContact CZ2-CD2 3.52Å; L1526-L1572 HydrophobicContact CD1-CD1 4.01Å; C1568-L1572 WeakPolarHBondContact O-CB 3.49Å; C1568-L1572 PolarHBondContact O-N 2.92Å; L1572-L1575 WeakPolarHBondContact O-CB 3.48Å; L1572-L1575 PolarHBondContact O-N 3.19Å; L1572-I1576 HydrophobicContact CG-CD1 4.12Å; L1572-I1576 WeakPolarHBondContact O-CG1 3.42Å; L1572-I1576 PolarHBondContact O-N 3.07Å
1573S69.8Low68.9Low52 Ų5241 Ų4136%0.36423%0.227SC..Hα-helixtrans-68.3-35.6178.260.10000112.6L1569 S1570 C1577L1569-S1573 PolarHBondContact O-N 3.06Å; L1569-S1573 PolarHBondContact O-OG 3.35Å; S1570-S1573 PolarHBondContact O-N 3.44Å; S1570-S1573 PolarHBondContact O-OG 2.84Å; S1570-S1573 VanDerWaalsContact O-OG 3.05Å; S1573-C1577 PolarHBondContact O-N 3Å; S1573-C1577 VanDerWaalsContact O-N 3.13Å; S1573-C1577 PolarHBondContact O-SG 2.68Å
1574I70.2Confident70.5Confident56 Ų5638.3 Ų38.329%0.28720%0.204SC..Hα-helixtrans-63.2-42.2170.7-66.4164.8000111.1S1570 K1571 C1577 S1578 V1638 L1642S1570-I1574 WeakPolarHBondContact O-CD1 3.48Å; S1570-I1574 VanDerWaalsContact O-CG1 3.26Å; S1570-I1574 WeakPolarHBondContact O-CG1 3.42Å; S1570-I1574 PolarHBondContact O-N 3.21Å; S1570-I1574 VanDerWaalsContact O-N 3.1Å; K1571-I1574 PolarHBondContact O-N 3.2Å; I1574-C1577 PolarHBondContact O-N 2.98Å; I1574-S1578 PolarHBondContact O-N 2.84Å; I1574-S1578 PolarHBondContact O-OG 3.33Å; I1574-V1638 HydrophobicContact CG2-CG1 4.28Å; I1574-V1638 HydrophobicContact CG2-CG2 4.14Å; I1574-L1642 HydrophobicContact CB-CD1 4.44Å; I1574-L1642 HydrophobicContact CG2-CD1 3.74Å
1575L70.9Confident72.1Confident5 Ų530.5 Ų30.53%0.02618%0.175CC..Hα-helixtrans-59.9-48.7175.5173.755000112.4A1523 Q1525 K1571 L1572 C1577 S1578 L1579 I1649A1523-L1575 HydrophobicContact CB-CD2 4.39Å; Q1525-L1575 HydrophobicContact CB-CD2 4.49Å; K1571-L1575 PolarHBondContact O-N 3.29Å; L1572-L1575 WeakPolarHBondContact O-CB 3.48Å; L1572-L1575 PolarHBondContact O-N 3.19Å; L1575-C1577 PolarHBondContact O-N 2.92Å; L1575-S1578 PolarHBondContact O-N 3.45Å; L1575-S1578 PolarHBondContact O-OG 3.24Å; L1575-S1578 VanDerWaalsContact O-OG 3.05Å; L1575-L1579 HydrophobicContact CD1-CD1 4.02Å; L1575-L1579 HydrophobicContact CD1-CG 4.12Å; L1575-L1579 HydrophobicContact CG-CD1 4.17Å; L1575-L1579 WeakPolarHBondContact O-CG 3.5Å; L1575-L1579 PolarHBondContact O-N 3.2Å; L1575-I1649 HydrophobicContact CD1-CG2 3.44Å; L1575-I1649 VanDerWaalsContact CD1-CG2 3.44Å; L1575-I1649 HydrophobicContact CD2-CG2 4.49Å; L1575-I1649 HydrophobicContact CG-CG2 4.48Å
1576I71.4Confident73.8Confident11 Ų1128.9 Ų28.96%0.05617%0.167CC..Hα-helixtrans-62.4-33.8178.7-66.8168000111F1520 L1572 K1580F1520-I1576 HydrophobicContact CE1-CD1 4.46Å; F1520-I1576 HydrophobicContact CE1-CG1 4.04Å; F1520-I1576 HydrophobicContact CZ-CG1 4.01Å; F1520-I1576 HydrophobicContact CZ-CG2 4.31Å; L1572-I1576 HydrophobicContact CG-CD1 4.12Å; L1572-I1576 WeakPolarHBondContact O-CG1 3.42Å; L1572-I1576 PolarHBondContact O-N 3.07Å; I1576-K1580 WeakPolarHBondContact O-CG 3.41Å; I1576-K1580 PolarHBondContact O-N 3.05Å
1577C74Confident75.2Confident64 Ų6425.9 Ų25.943%0.43215%0.149SC..Hα-helixtrans-72.1-40.7175.9-670000113.2S1573 I1574 L1575 K1580 D1581S1573-C1577 PolarHBondContact O-N 3Å; S1573-C1577 VanDerWaalsContact O-N 3.13Å; S1573-C1577 PolarHBondContact O-SG 2.68Å; I1574-C1577 PolarHBondContact O-N 2.98Å; L1575-C1577 PolarHBondContact O-N 2.92Å; C1577-K1580 PolarHBondContact O-N 3.34Å; C1577-D1581 PolarHBondContact O-N 2.88Å
1578S76.8Confident76.6Confident12 Ų1223.4 Ų23.48%0.08413%0.131CC..Hα-helixtrans-71.1-32.2179.566.50000112.6I1574 L1575 D1581 L1582I1574-S1578 PolarHBondContact O-N 2.84Å; I1574-S1578 PolarHBondContact O-OG 3.33Å; L1575-S1578 PolarHBondContact O-N 3.45Å; L1575-S1578 PolarHBondContact O-OG 3.24Å; L1575-S1578 VanDerWaalsContact O-OG 3.05Å; S1578-D1581 PolarHBondContact O-N 2.66Å; S1578-L1582 PolarHBondContact O-N 3.08Å; S1578-L1582 VanDerWaalsContact O-N 3.1Å
1579L78.2Confident78.1Confident4 Ų423.8 Ų23.82%0.02113%0.131CC..Hα-helixtrans-59.9-51.3169.1-74170.1000111.6H1519 F1520 L1575 D1581 L1582 I1583 L1650H1519-L1579 HydrophobicContact CB-CD2 3.56Å; F1520-L1579 HydrophobicContact CD2-CD1 4.49Å; F1520-L1579 HydrophobicContact CE2-CD1 4.35Å; L1575-L1579 HydrophobicContact CD1-CD1 4.02Å; L1575-L1579 HydrophobicContact CD1-CG 4.12Å; L1575-L1579 HydrophobicContact CG-CD1 4.17Å; L1575-L1579 WeakPolarHBondContact O-CG 3.5Å; L1575-L1579 PolarHBondContact O-N 3.2Å; L1579-D1581 VanDerWaalsContact C-N 3.34Å; L1579-D1581 PolarHBondContact O-N 3.07Å; L1579-L1582 PolarHBondContact O-N 3.46Å; L1579-L1582 VanDerWaalsContact O-N 3.1Å; L1579-I1583 VanDerWaalsContact O-CD1 3.3Å; L1579-I1583 WeakPolarHBondContact O-CD1 3.15Å; L1579-I1583 WeakPolarHBondContact O-CG1 3.48Å; L1579-I1583 PolarHBondContact O-N 3.33Å; L1579-L1650 HydrophobicContact CD2-CD1 3.68Å; L1579-L1650 HydrophobicContact CD2-CG 4.01Å; L1579-L1650 HydrophobicContact CG-CD1 4.46Å
1580K78.1Confident79.7Confident28 Ų2823.1 Ų23.112%0.12213%0.127CC..Hα-helixtrans-57.8-42.9177.3-76.1174.6161.6-155.60112.5P1445 S1446 I1576 C1577 L1582 I1583 F1584P1445-K1580 PolarHBondContact O-NZ 3.41Å; S1446-K1580 WeakPolarHBondContact O-CD 3.27Å; S1446-K1580 WeakPolarHBondContact O-CE 3.3Å; S1446-K1580 WeakPolarHBondContact O-CG 3.46Å; S1446-K1580 PolarHBondContact O-NZ 2.78Å; I1576-K1580 WeakPolarHBondContact O-CG 3.41Å; I1576-K1580 PolarHBondContact O-N 3.05Å; C1577-K1580 PolarHBondContact O-N 3.34Å; K1580-L1582 VanDerWaalsContact C-N 3.34Å; K1580-L1582 PolarHBondContact O-N 3.33Å; K1580-I1583 PolarHBondContact O-N 3.23Å; K1580-F1584 WeakPolarHBondContact O-CB 3.41Å; K1580-F1584 PolarHBondContact O-N 3.04Å; K1580-F1584 VanDerWaalsContact O-N 3.09Å
1581D81.8Confident80.9Confident10 Ų1021 Ų215%0.05311%0.112CC..Hα-helixtrans-60-41.4174.7-75.2-18.1000112.3Q1451 C1577 S1578 L1579 F1584 Y1585 M1631 R1634Q1451-D1581 PolarHBondContact NE2-OD1 3.4Å; C1577-D1581 PolarHBondContact O-N 2.88Å; S1578-D1581 PolarHBondContact O-N 2.66Å; L1579-D1581 VanDerWaalsContact C-N 3.34Å; L1579-D1581 PolarHBondContact O-N 3.07Å; D1581-F1584 PolarHBondContact O-N 2.86Å; D1581-Y1585 PolarHBondContact O-N 2.91Å; D1581-M1631 HydrophobicContact CB-CE 4.03Å; D1581-M1631 HydrophobicContact CB-SD 4.16Å; D1581-R1634 IonicContact OD1-NH2 3.72Å; D1581-R1634 IonicContact OD2-CZ 3.96Å; D1581-R1634 IonicContact OD2-NE 2.73Å; D1581-R1634 PolarHBondContact OD2-NE 2.8Å; D1581-R1634 IonicContact OD2-NH2 3.64Å; D1581-R1634 PolarHBondContact OD2-NH2 3.34Å
1582L84.7Confident82.2Confident19 Ų1917.8 Ų17.810%0.09910%0.099CC..Hα-helixtrans-68.3-41.1-179.8-179.364.8000112.8S1578 L1579 K1580 F1584 Y1585 Q1586 M1631 L1650 S1655 F1659S1578-L1582 PolarHBondContact O-N 3.08Å; S1578-L1582 VanDerWaalsContact O-N 3.1Å; L1579-L1582 PolarHBondContact O-N 3.46Å; L1579-L1582 VanDerWaalsContact O-N 3.1Å; K1580-L1582 VanDerWaalsContact C-N 3.34Å; K1580-L1582 PolarHBondContact O-N 3.33Å; L1582-F1584 VanDerWaalsContact C-N 3.3Å; L1582-F1584 PolarHBondContact O-N 2.89Å; L1582-Y1585 HydrophobicContact CD1-CD1 4.34Å; L1582-Y1585 WeakPolarHBondContact O-CB 3.47Å; L1582-Y1585 PolarHBondContact O-N 3.27Å; L1582-Q1586 PolarHBondContact O-N 2.74Å; L1582-M1631 HydrophobicContact CB-CE 4.27Å; L1582-M1631 HydrophobicContact CD1-CE 4.35Å; L1582-L1650 HydrophobicContact CD2-CD1 3.78Å; L1582-L1650 HydrophobicContact CD2-CD2 3.49Å; L1582-L1650 VanDerWaalsContact CD2-CD2 3.49Å; L1582-L1650 HydrophobicContact CD2-CG 4.24Å; L1582-S1655 WeakPolarHBondContact CD2-OG 3.21Å; L1582-F1659 HydrophobicContact CD1-CZ 4.21Å
1583I85.5Confident83.4Confident3 Ų318 Ų182%0.01510%0.1CC..Hα-helixtrans-66.3-37.6178-63.2150.5000110.1F1447 C1512 E1516 L1579 K1580 Y1585 Q1586 L1587F1447-I1583 HydrophobicContact CE1-CG2 4.46Å; C1512-I1583 HydrophobicContact CB-CG2 4.28Å; E1516-I1583 HydrophobicContact CB-CD1 3.53Å; E1516-I1583 HydrophobicContact CB-CG1 4.33Å; E1516-I1583 HydrophobicContact CG-CD1 3.5Å; L1579-I1583 VanDerWaalsContact O-CD1 3.3Å; L1579-I1583 WeakPolarHBondContact O-CD1 3.15Å; L1579-I1583 WeakPolarHBondContact O-CG1 3.48Å; L1579-I1583 PolarHBondContact O-N 3.33Å; K1580-I1583 PolarHBondContact O-N 3.23Å; I1583-Y1585 VanDerWaalsContact C-N 3.35Å; I1583-Y1585 PolarHBondContact O-N 3.35Å; I1583-Q1586 PolarHBondContact O-N 2.76Å; I1583-L1587 WeakPolarHBondContact O-CB 3.22Å; I1583-L1587 PolarHBondContact O-N 3.24Å
1584F87.7Confident84.4Confident4 Ų415.6 Ų15.62%0.0188%0.083CC..Hα-helixtrans-62.6-38.3171.8-175.7-108000112.5F1447 Q1451 L1455 K1580 D1581 L1582 I1588 H1627F1447-F1584 HydrophobicContact CD1-CB 3.93Å; F1447-F1584 AromaticContact CD1-CD2 3.72Å; F1447-F1584 HydrophobicContact CD1-CD2 3.72Å; F1447-F1584 HydrophobicContact CD1-CG 4.25Å; F1447-F1584 HydrophobicContact CE1-CB 3.85Å; F1447-F1584 HydrophobicContact CE1-CD2 4.01Å; F1447-F1584 HydrophobicContact CE1-CG 4.44Å; F1447-F1584 HydrophobicContact CG-CD2 4.13Å; Q1451-F1584 HydrophobicContact CB-CD1 4.31Å; Q1451-F1584 HydrophobicContact CB-CD2 4.08Å; Q1451-F1584 HydrophobicContact CB-CE1 3.96Å; Q1451-F1584 HydrophobicContact CB-CE2 3.71Å; Q1451-F1584 HydrophobicContact CB-CG 4.36Å; Q1451-F1584 HydrophobicContact CB-CZ 3.65Å; Q1451-F1584 HydrophobicContact CG-CD1 3.92Å; Q1451-F1584 HydrophobicContact CG-CD2 4.42Å; Q1451-F1584 HydrophobicContact CG-CE1 3.88Å; Q1451-F1584 HydrophobicContact CG-CE2 4.38Å; Q1451-F1584 HydrophobicContact CG-CG 4.2Å; Q1451-F1584 HydrophobicContact CG-CZ 4.12Å; Q1451-F1584 VanDerWaalsContact O-CZ 3.28Å; Q1451-F1584 WeakPolarHBondContact O-CZ 3.46Å; L1455-F1584 HydrophobicContact CB-CE2 4.15Å; L1455-F1584 HydrophobicContact CB-CZ 4.15Å; L1455-F1584 HydrophobicContact CD2-CE2 4.1Å; K1580-F1584 WeakPolarHBondContact O-CB 3.41Å; K1580-F1584 PolarHBondContact O-N 3.04Å; K1580-F1584 VanDerWaalsContact O-N 3.09Å; D1581-F1584 PolarHBondContact O-N 2.86Å; L1582-F1584 VanDerWaalsContact C-N 3.3Å; L1582-F1584 PolarHBondContact O-N 2.89Å; F1584-I1588 HydrophobicContact CD1-CD1 4.06Å; F1584-I1588 HydrophobicContact CE1-CD1 3.55Å; F1584-I1588 HydrophobicContact CE2-CD1 4.31Å; F1584-I1588 HydrophobicContact CZ-CD1 3.69Å; F1584-I1588 PolarHBondContact O-N 3.18Å; F1584-I1588 VanDerWaalsContact O-N 3.13Å; F1584-H1627 AromaticContact CD1-CE1 3.83Å; F1584-H1627 AromaticContact CE1-CE1 3.6Å; F1584-H1627 AromaticContact CE1-NE2 3.73Å
1585Y89.8Confident85.5Confident30 Ų3013 Ų1312%0.1187%0.069CC..Hα-helixtrans-66.2-45.1172.6176.3-115.3000112.8D1581 L1582 I1583 L1587 I1588 M1589 H1627 S1628 M1631 F1659D1581-Y1585 PolarHBondContact O-N 2.91Å; L1582-Y1585 HydrophobicContact CD1-CD1 4.34Å; L1582-Y1585 WeakPolarHBondContact O-CB 3.47Å; L1582-Y1585 PolarHBondContact O-N 3.27Å; I1583-Y1585 VanDerWaalsContact C-N 3.35Å; I1583-Y1585 PolarHBondContact O-N 3.35Å; Y1585-L1587 VanDerWaalsContact C-N 3.33Å; Y1585-L1587 PolarHBondContact O-N 2.9Å; Y1585-I1588 PolarHBondContact O-N 3.33Å; Y1585-M1589 HydrophobicContact CE1-CG 4.37Å; Y1585-M1589 HydrophobicContact CE2-CG 4.22Å; Y1585-M1589 HydrophobicContact CE2-SD 4.21Å; Y1585-M1589 WeakPolarHBondContact O-CG 3.17Å; Y1585-M1589 PolarHBondContact O-N 3.18Å; Y1585-H1627 HydrophobicContact CD2-CB 4.09Å; Y1585-H1627 HydrophobicContact CE2-CB 4.18Å; Y1585-S1628 PolarHBondContact OH-OG 3.21Å; Y1585-M1631 HydrophobicContact CD1-CG 4.2Å; Y1585-M1631 HydrophobicContact CD2-CG 3.7Å; Y1585-M1631 HydrophobicContact CE2-CG 4.34Å; Y1585-M1631 HydrophobicContact CG-CG 3.62Å; Y1585-M1631 HydrophobicContact CG-SD 4.44Å; Y1585-F1659 HydrophobicContact CD1-CE1 4.05Å; Y1585-F1659 HydrophobicContact CD1-CZ 4.01Å; Y1585-F1659 AromaticContact CE1-CE1 3.66Å; Y1585-F1659 HydrophobicContact CE1-CE1 3.66Å; Y1585-F1659 AromaticContact CE1-CZ 3.78Å; Y1585-F1659 HydrophobicContact CE1-CZ 3.78Å
1586Q89.3Confident86.4Confident1 Ų114.1 Ų14.11%0.0057%0.074CC..Hα-helixtrans-58.1-44.1174.3-71.8-176.32.900111.7L1582 I1583 I1588 M1589 Y1590 F1659L1582-Q1586 PolarHBondContact O-N 2.74Å; I1583-Q1586 PolarHBondContact O-N 2.76Å; Q1586-I1588 PolarHBondContact O-N 3.08Å; Q1586-M1589 WeakPolarHBondContact O-CB 3.28Å; Q1586-M1589 PolarHBondContact O-N 2.9Å; Q1586-Y1590 HydrophobicContact CB-CE2 4.32Å; Q1586-Y1590 WeakPolarHBondContact O-CD1 3.46Å; Q1586-Y1590 WeakPolarHBondContact O-CD2 3.47Å; Q1586-Y1590 VanDerWaalsContact O-CG 3.24Å; Q1586-Y1590 PolarHBondContact O-N 3.47Å; Q1586-F1659 HydrophobicContact CG-CE1 4.42Å
1587L89.1Confident87.2Confident3 Ų314 Ų142%0.0167%0.074CC..Hα-helixtrans-55.8-47.9175.1176.664.8000111.6V1370 L1373 F1447 L1455 L1509 I1583 Y1585 M1589 Y1590 L1591V1370-L1587 HydrophobicContact CG2-CD2 4.44Å; L1373-L1587 HydrophobicContact CD2-CD1 4.04Å; L1373-L1587 HydrophobicContact CD2-CD2 4.18Å; F1447-L1587 HydrophobicContact CE2-CD2 3.98Å; F1447-L1587 HydrophobicContact CZ-CD2 3.89Å; L1455-L1587 HydrophobicContact CD2-CD2 4.41Å; L1509-L1587 HydrophobicContact CD2-CD1 4.23Å; I1583-L1587 WeakPolarHBondContact O-CB 3.22Å; I1583-L1587 PolarHBondContact O-N 3.24Å; Y1585-L1587 VanDerWaalsContact C-N 3.33Å; Y1585-L1587 PolarHBondContact O-N 2.9Å; L1587-M1589 PolarHBondContact O-N 3.47Å; L1587-Y1590 PolarHBondContact O-N 3.07Å; L1587-L1591 HydrophobicContact CG-CD1 4.47Å; L1587-L1591 WeakPolarHBondContact O-CG 3.39Å; L1587-L1591 PolarHBondContact O-N 2.9Å
1588I91.9Very high87.8Confident1 Ų111.1 Ų11.11%0.0056%0.055CC..Hα-helixtrans-65.3-38.2179.3-72.2173.4000111.8L1455 V1459 F1584 Y1585 Q1586 Y1590 L1591 I1592 I1623 H1627L1455-I1588 HydrophobicContact CD1-CD1 4.35Å; L1455-I1588 HydrophobicContact CD1-CG1 4.05Å; V1459-I1588 HydrophobicContact CG2-CD1 4.41Å; F1584-I1588 HydrophobicContact CD1-CD1 4.06Å; F1584-I1588 HydrophobicContact CE1-CD1 3.55Å; F1584-I1588 HydrophobicContact CE2-CD1 4.31Å; F1584-I1588 HydrophobicContact CZ-CD1 3.69Å; F1584-I1588 PolarHBondContact O-N 3.18Å; F1584-I1588 VanDerWaalsContact O-N 3.13Å; Y1585-I1588 PolarHBondContact O-N 3.33Å; Q1586-I1588 PolarHBondContact O-N 3.08Å; I1588-Y1590 PolarHBondContact O-N 3.47Å; I1588-L1591 PolarHBondContact O-N 3.28Å; I1588-I1592 HydrophobicContact CG2-CD1 4.2Å; I1588-I1592 WeakPolarHBondContact O-CG1 3.22Å; I1588-I1592 PolarHBondContact O-N 3.2Å; I1588-I1623 HydrophobicContact CG2-CG2 4.2Å; I1588-H1627 WeakPolarHBondContact CD1-NE2 3.5Å
1589M91.9Very high88.3Confident30 Ų3010.6 Ų10.615%0.1485%0.051CC..Hα-helixtrans-59.5-46.2172.4-69.6-57.9-66.300111.9Y1585 Q1586 L1587 L1591 I1592 I1593 F1624Y1585-M1589 HydrophobicContact CE1-CG 4.37Å; Y1585-M1589 HydrophobicContact CE2-CG 4.22Å; Y1585-M1589 HydrophobicContact CE2-SD 4.21Å; Y1585-M1589 WeakPolarHBondContact O-CG 3.17Å; Y1585-M1589 PolarHBondContact O-N 3.18Å; Q1586-M1589 WeakPolarHBondContact O-CB 3.28Å; Q1586-M1589 PolarHBondContact O-N 2.9Å; L1587-M1589 PolarHBondContact O-N 3.47Å; M1589-L1591 VanDerWaalsContact C-N 3.33Å; M1589-L1591 PolarHBondContact O-N 2.9Å; M1589-I1592 PolarHBondContact O-N 3.22Å; M1589-I1593 WeakPolarHBondContact O-CD1 3.36Å; M1589-I1593 WeakPolarHBondContact O-CG1 3.38Å; M1589-I1593 PolarHBondContact O-N 2.97Å; M1589-I1593 VanDerWaalsContact O-N 3.09Å; M1589-F1624 HydrophobicContact CE-CD2 3.8Å; M1589-F1624 HydrophobicContact CE-CE2 3.57Å; M1589-F1624 HydrophobicContact SD-CD2 3.41Å; M1589-F1624 WeakPolarHBondContact SD-CD2 3.27Å; M1589-F1624 HydrophobicContact SD-CE2 3.57Å; M1589-F1624 VanDerWaalsContact SD-CE2 3.57Å
1590Y92.9Very high88.6Confident3 Ų310.7 Ų10.71%0.0125%0.051CC..Hα-helixtrans-64-37.2176.5-56.8-22000111.9C1512 Q1586 L1587 I1588 I1593 I1594 G1658 W1661 L1665C1512-Y1590 WeakPolarHBondContact SG-CE2 3.31Å; Q1586-Y1590 HydrophobicContact CB-CE2 4.32Å; Q1586-Y1590 WeakPolarHBondContact O-CD1 3.46Å; Q1586-Y1590 WeakPolarHBondContact O-CD2 3.47Å; Q1586-Y1590 VanDerWaalsContact O-CG 3.24Å; Q1586-Y1590 PolarHBondContact O-N 3.47Å; L1587-Y1590 PolarHBondContact O-N 3.07Å; I1588-Y1590 PolarHBondContact O-N 3.47Å; Y1590-I1593 PolarHBondContact O-N 2.93Å; Y1590-I1594 WeakPolarHBondContact O-CB 3.27Å; Y1590-I1594 WeakPolarHBondContact O-CD1 3.21Å; Y1590-I1594 VanDerWaalsContact O-CG1 3.24Å; Y1590-I1594 WeakPolarHBondContact O-CG1 3.38Å; Y1590-I1594 PolarHBondContact O-N 2.91Å; Y1590-G1658 PolarHBondContact OH-O 3.37Å; Y1590-W1661 HydrophobicContact CE1-CB 4.28Å; Y1590-W1661 AromaticContact CE1-CD1 3.66Å; Y1590-W1661 HydrophobicContact CE1-CG 4.38Å; Y1590-W1661 AromaticContact CZ-CD1 3.72Å; Y1590-L1665 HydrophobicContact CD1-CD2 4.1Å; Y1590-L1665 HydrophobicContact CG-CD2 4.17Å
1591L91.7Very high88.8Confident5 Ų510.9 Ų10.93%0.0265%0.051CC..Hα-helixtrans-66.2-39.8175.9-69.6-177.4000113T1366 L1455 F1505 L1587 I1588 M1589 I1593 I1594 S1595T1366-L1591 HydrophobicContact CG2-CD1 3.83Å; T1366-L1591 HydrophobicContact CG2-CD2 3.58Å; T1366-L1591 HydrophobicContact CG2-CG 4.32Å; L1455-L1591 HydrophobicContact CD1-CD1 3.97Å; F1505-L1591 HydrophobicContact CD1-CD2 4.41Å; F1505-L1591 HydrophobicContact CE1-CD2 3.86Å; L1587-L1591 HydrophobicContact CG-CD1 4.47Å; L1587-L1591 WeakPolarHBondContact O-CG 3.39Å; L1587-L1591 PolarHBondContact O-N 2.9Å; I1588-L1591 PolarHBondContact O-N 3.28Å; M1589-L1591 VanDerWaalsContact C-N 3.33Å; M1589-L1591 PolarHBondContact O-N 2.9Å; L1591-I1593 VanDerWaalsContact C-N 3.34Å; L1591-I1594 PolarHBondContact O-N 3.13Å; L1591-S1595 WeakPolarHBondContact O-CB 3.49Å; L1591-S1595 PolarHBondContact O-N 3.36Å
1592I93.5Very high88.5Confident17 Ų1711.4 Ų11.49%0.0876%0.06CC..Hα-helixtrans-60.3-47172.9-67.9167.2000109.8L1463 I1588 M1589 I1594 S1595 F1596 W1616 I1623 F1624L1463-I1592 HydrophobicContact CD1-CG1 4.37Å; I1588-I1592 HydrophobicContact CG2-CD1 4.2Å; I1588-I1592 WeakPolarHBondContact O-CG1 3.22Å; I1588-I1592 PolarHBondContact O-N 3.2Å; M1589-I1592 PolarHBondContact O-N 3.22Å; I1592-I1594 PolarHBondContact O-N 2.88Å; I1592-S1595 PolarHBondContact O-N 3.26Å; I1592-S1595 PolarHBondContact O-OG 2.77Å; I1592-F1596 PolarHBondContact O-N 3.47Å; I1592-F1596 VanDerWaalsContact O-N 3.16Å; I1592-W1616 HydrophobicContact CG2-CZ2 4.42Å; I1592-I1623 HydrophobicContact CD1-CG2 4.09Å; I1592-F1624 HydrophobicContact CD1-CB 4.28Å
1593I92.1Very high88.4Confident20 Ų2013.6 Ų13.610%0.1037%0.069CC..Hα-helixtrans-65.9-38.1-179.4-69.2164.5000112.4M1589 Y1590 L1591 C1662 L1665 L1666M1589-I1593 WeakPolarHBondContact O-CD1 3.36Å; M1589-I1593 WeakPolarHBondContact O-CG1 3.38Å; M1589-I1593 PolarHBondContact O-N 2.97Å; M1589-I1593 VanDerWaalsContact O-N 3.09Å; Y1590-I1593 PolarHBondContact O-N 2.93Å; L1591-I1593 VanDerWaalsContact C-N 3.34Å; I1593-C1662 HydrophobicContact CD1-CB 3.44Å; I1593-C1662 VanDerWaalsContact CD1-CB 3.44Å; I1593-L1665 HydrophobicContact CB-CD2 4.2Å; I1593-L1665 HydrophobicContact CG2-CB 4.13Å; I1593-L1665 HydrophobicContact CG2-CD2 3.82Å; I1593-L1665 HydrophobicContact CG2-CG 3.74Å; I1593-L1666 HydrophobicContact CG2-CD2 3.8Å; I1593-L1666 HydrophobicContact CG2-CG 3.8Å
1594I91.5Very high88.3Confident2 Ų220 Ų201%0.019%0.093CC..Hα-helixtrans-66.9-40.1173.2-69.4164000110.3F1362 R1504 F1505 Y1590 L1591 I1592 F1596 S1597 Y1598 L1665F1362-I1594 HydrophobicContact CE2-CG2 4.09Å; R1504-I1594 WeakPolarHBondContact O-CD1 3.4Å; F1505-I1594 HydrophobicContact CD1-CD1 3.86Å; F1505-I1594 HydrophobicContact CE1-CD1 4.08Å; F1505-I1594 HydrophobicContact CE1-CG2 3.99Å; F1505-I1594 HydrophobicContact CE2-CG2 4.3Å; F1505-I1594 HydrophobicContact CG-CD1 4.48Å; F1505-I1594 HydrophobicContact CZ-CG2 3.82Å; Y1590-I1594 WeakPolarHBondContact O-CB 3.27Å; Y1590-I1594 WeakPolarHBondContact O-CD1 3.21Å; Y1590-I1594 VanDerWaalsContact O-CG1 3.24Å; Y1590-I1594 WeakPolarHBondContact O-CG1 3.38Å; Y1590-I1594 PolarHBondContact O-N 2.91Å; L1591-I1594 PolarHBondContact O-N 3.13Å; I1592-I1594 PolarHBondContact O-N 2.88Å; I1594-F1596 VanDerWaalsContact C-N 3.29Å; I1594-F1596 PolarHBondContact O-N 2.9Å; I1594-S1597 WeakPolarHBondContact O-CB 3.25Å; I1594-S1597 PolarHBondContact O-N 3.11Å; I1594-S1597 VanDerWaalsContact O-N 3.09Å; I1594-S1597 PolarHBondContact O-OG 3.45Å; I1594-Y1598 HydrophobicContact CG2-CD2 4.43Å; I1594-Y1598 HydrophobicContact CG2-CE2 3.87Å; I1594-Y1598 WeakPolarHBondContact O-CD2 3.46Å; I1594-L1665 HydrophobicContact CG1-CD2 4.24Å
1595S92.1Very high88.1Confident0 Ų022.2 Ų22.20%011%0.107CC..Hα-helixtrans-61.9-32.9179.180.20000113.2L1591 I1592 S1597 Y1598 A1599 W1616L1591-S1595 WeakPolarHBondContact O-CB 3.49Å; L1591-S1595 PolarHBondContact O-N 3.36Å; I1592-S1595 PolarHBondContact O-N 3.26Å; I1592-S1595 PolarHBondContact O-OG 2.77Å; S1595-S1597 PolarHBondContact O-N 2.89Å; S1595-Y1598 PolarHBondContact O-N 3.43Å; S1595-Y1598 VanDerWaalsContact O-N 3.12Å; S1595-A1599 WeakPolarHBondContact O-CB 3.04Å; S1595-A1599 PolarHBondContact O-N 3.28Å; S1595-W1616 PolarHBondContact OG-NE1 3.16Å
1596F90.5Very high87.7Confident30 Ų3030.4 Ų30.413%0.13214%0.138CC..Hα-helixtrans-55-38173.6177-85.7000112.4I1592 I1594 Y1598 A1599 N1600 V1605 F1608 W1616I1592-F1596 PolarHBondContact O-N 3.47Å; I1592-F1596 VanDerWaalsContact O-N 3.16Å; I1594-F1596 VanDerWaalsContact C-N 3.29Å; I1594-F1596 PolarHBondContact O-N 2.9Å; F1596-Y1598 VanDerWaalsContact C-N 3.29Å; F1596-Y1598 PolarHBondContact O-N 3.37Å; F1596-A1599 PolarHBondContact O-N 3.33Å; F1596-N1600 WeakPolarHBondContact CD2-ND2 3.22Å; F1596-N1600 HydrophobicContact CE1-CB 4.36Å; F1596-N1600 WeakPolarHBondContact CE2-ND2 3.38Å; F1596-N1600 HydrophobicContact CZ-CB 4.3Å; F1596-N1600 PolarHBondContact O-N 2.98Å; F1596-V1605 HydrophobicContact CE1-CB 4.48Å; F1596-V1605 HydrophobicContact CE1-CG2 3.9Å; F1596-V1605 HydrophobicContact CZ-CG1 4.41Å; F1596-V1605 HydrophobicContact CZ-CG2 4.47Å; F1596-F1608 HydrophobicContact CE2-CD1 4.16Å; F1596-F1608 HydrophobicContact CE2-CD2 4.01Å; F1596-F1608 HydrophobicContact CE2-CE1 4.36Å; F1596-F1608 HydrophobicContact CE2-CE2 4.22Å; F1596-F1608 AromaticContact CE2-CG 3.97Å; F1596-F1608 HydrophobicContact CE2-CG 3.97Å; F1596-F1608 HydrophobicContact CE2-CZ 4.38Å; F1596-F1608 HydrophobicContact CZ-CB 4.25Å; F1596-F1608 HydrophobicContact CZ-CD2 4.34Å; F1596-F1608 HydrophobicContact CZ-CG 4.17Å; F1596-W1616 HydrophobicContact CB-CH2 3.95Å; F1596-W1616 HydrophobicContact CB-CZ2 3.75Å; F1596-W1616 AromaticContact CD2-CH2 3.62Å; F1596-W1616 HydrophobicContact CD2-CH2 3.62Å; F1596-W1616 HydrophobicContact CD2-CZ2 4.24Å; F1596-W1616 AromaticContact CD2-CZ3 3.84Å; F1596-W1616 HydrophobicContact CD2-CZ3 3.84Å; F1596-W1616 HydrophobicContact CG-CH2 4.28Å
1597S87.5Confident87.5Confident8 Ų838 Ų386%0.05617%0.171CC..Hα-helixtrans-67.6-28.8-178.675.10000113.3I1594 S1595 Y1601I1594-S1597 WeakPolarHBondContact O-CB 3.25Å; I1594-S1597 PolarHBondContact O-N 3.11Å; I1594-S1597 VanDerWaalsContact O-N 3.09Å; I1594-S1597 PolarHBondContact O-OG 3.45Å; S1595-S1597 PolarHBondContact O-N 2.89Å; S1597-Y1601 PolarHBondContact O-N 2.05Å
1598Y87.4Confident87.3Confident4 Ų440.7 Ų40.72%0.01618%0.183CC..Hα-helixtrans-83-41.8171.5-63.4-77.8000111.1V1361 F1362 R1504 I1594 S1595 F1596 N1600 Y1601V1361-Y1598 HydrophobicContact CG1-CE1 3.86Å; F1362-Y1598 HydrophobicContact CB-CD2 4.31Å; F1362-Y1598 HydrophobicContact CB-CG 4.43Å; F1362-Y1598 AromaticContact CD2-CD2 3.68Å; F1362-Y1598 HydrophobicContact CD2-CD2 3.68Å; F1362-Y1598 AromaticContact CD2-CE2 3.77Å; F1362-Y1598 HydrophobicContact CD2-CE2 3.77Å; F1362-Y1598 HydrophobicContact CE2-CD2 4.41Å; F1362-Y1598 HydrophobicContact CG-CD2 4.23Å; R1504-Y1598 WeakPolarHBondContact CD-OH 3.49Å; R1504-Y1598 PolarHBondContact NH1-OH 3Å; I1594-Y1598 HydrophobicContact CG2-CD2 4.43Å; I1594-Y1598 HydrophobicContact CG2-CE2 3.87Å; I1594-Y1598 WeakPolarHBondContact O-CD2 3.46Å; S1595-Y1598 PolarHBondContact O-N 3.43Å; S1595-Y1598 VanDerWaalsContact O-N 3.12Å; F1596-Y1598 VanDerWaalsContact C-N 3.29Å; F1596-Y1598 PolarHBondContact O-N 3.37Å; Y1598-N1600 VanDerWaalsContact C-N 3.3Å; Y1598-N1600 PolarHBondContact O-N 3.35Å; Y1598-Y1601 WeakPolarHBondContact O-CB 3.32Å; Y1598-Y1601 PolarHBondContact O-N 2.79Å
1599A87.4Confident87Confident1 Ų149.2 Ų49.21%0.00822%0.215CC..Hα-helixtrans-60.9-35.9-179.400000113.2L1467 R1470 S1595 F1596 W1616L1467-A1599 HydrophobicContact CD2-CB 3.65Å; R1470-A1599 WeakPolarHBondContact CD-O 3.44Å; R1470-A1599 VanDerWaalsContact CG-O 3.24Å; R1470-A1599 WeakPolarHBondContact CG-O 3.25Å; S1595-A1599 WeakPolarHBondContact O-CB 3.04Å; S1595-A1599 PolarHBondContact O-N 3.28Å; F1596-A1599 PolarHBondContact O-N 3.33Å; A1599-W1616 HydrophobicContact CB-CB 4.18Å; A1599-W1616 HydrophobicContact CB-CD2 3.83Å; A1599-W1616 HydrophobicContact CB-CG 3.59Å
1600N84.2Confident86.6Confident6 Ų656.6 Ų56.63%0.03224%0.242CC..THydrogen-bonded Turntrans-112.223.1-179.8-67.2-67.2000113.2F1596 Y1598 G1602 Q1603 F1608 T1612F1596-N1600 WeakPolarHBondContact CD2-ND2 3.22Å; F1596-N1600 HydrophobicContact CE1-CB 4.36Å; F1596-N1600 WeakPolarHBondContact CE2-ND2 3.38Å; F1596-N1600 HydrophobicContact CZ-CB 4.3Å; F1596-N1600 PolarHBondContact O-N 2.98Å; Y1598-N1600 VanDerWaalsContact C-N 3.3Å; Y1598-N1600 PolarHBondContact O-N 3.35Å; N1600-G1602 PolarHBondContact O-N 3.06Å; N1600-Q1603 PolarHBondContact O-N 3.07Å; N1600-F1608 WeakPolarHBondContact ND2-CD2 3.47Å; N1600-F1608 WeakPolarHBondContact ND2-CE2 3.47Å; N1600-F1608 VanDerWaalsContact OD1-CD2 3.27Å; N1600-F1608 WeakPolarHBondContact OD1-CD2 3.36Å; N1600-F1608 WeakPolarHBondContact OD1-CE2 3.45Å; N1600-T1612 PolarHBondContact OD1-OG1 2.74Å
1601Y82.2Confident86.1Confident31 Ų3160.1 Ų60.112%0.12227%0.267CS..THydrogen-bonded Turntrans-51.6123.8-177.6-171.8-90.3000111.8H1358 R1470 V1472 S1597 Y1598 E1676 I1680H1358-Y1601 AromaticContact CE1-CD1 3.58Å; H1358-Y1601 AromaticContact CE1-CD2 3.73Å; H1358-Y1601 AromaticContact CE1-CE1 3.88Å; H1358-Y1601 AromaticContact CE1-CE2 3.98Å; H1358-Y1601 AromaticContact CE1-CG 3.5Å; H1358-Y1601 VanDerWaalsContact CE1-CG 3.5Å; H1358-Y1601 AromaticContact NE2-CD1 3.33Å; H1358-Y1601 VanDerWaalsContact NE2-CD1 3.33Å; H1358-Y1601 WeakPolarHBondContact NE2-CD1 3.42Å; H1358-Y1601 AromaticContact NE2-CE1 3.91Å; H1358-Y1601 AromaticContact NE2-CG 3.49Å; R1470-Y1601 PolarHBondContact NH1-O 3.04Å; R1470-Y1601 VanDerWaalsContact NH1-O 3.09Å; V1472-Y1601 WeakPolarHBondContact CG1-O 3.24Å; S1597-Y1601 PolarHBondContact O-N 2.05Å; Y1598-Y1601 WeakPolarHBondContact O-CB 3.32Å; Y1598-Y1601 PolarHBondContact O-N 2.79Å; Y1601-E1676 WeakPolarHBondContact CE2-OE1 3.22Å; Y1601-E1676 VanDerWaalsContact OH-CD 3.23Å; Y1601-E1676 PolarHBondContact OH-OE1 2.9Å; Y1601-I1680 WeakPolarHBondContact OH-CD1 3.44Å
1602G76.1Confident85.7Confident22 Ų2260.5 Ų60.523%0.22727%0.27CS..THydrogen-bonded Turntrans102.2-15.1-17700000115.1N1600 K1677N1600-G1602 PolarHBondContact O-N 3.06Å; G1602-K1677 PolarHBondContact O-NZ 2.76Å
1603Q81.3Confident85.5Confident65 Ų6559.7 Ų59.730%0.30427%0.265SS..SBendtrans-107.3161.6172.2-66-175.54.600111.5V1472 N1600V1472-Q1603 HydrophobicContact CG1-CG 3.78Å; V1472-Q1603 HydrophobicContact CG2-CG 4.39Å; N1600-Q1603 PolarHBondContact O-N 3.07Å
1604R83.8Confident85.2Confident138 Ų13861 Ų6152%0.52128%0.276SS..  trans-90.5151.4169-78.4-174.9172.8170.9-3.4109.8W1606 K1607 D1670R1604-W1606 PolarHBondContact O-N 3.23Å; R1604-W1606 VanDerWaalsContact O-N 3.12Å; R1604-K1607 PolarHBondContact O-N 3.02Å; R1604-D1670 VanDerWaalsContact CA-OD1 3.29Å; R1604-D1670 WeakPolarHBondContact CA-OD1 3.49Å
1605V83.7Confident85.1Confident49 Ų4962.6 Ų62.630%0.29729%0.287SS..G310 helixtrans-43.3-49.9175.4-176.30000111.8F1596 K1607 F1608 D1670F1596-V1605 HydrophobicContact CE1-CB 4.48Å; F1596-V1605 HydrophobicContact CE1-CG2 3.9Å; F1596-V1605 HydrophobicContact CZ-CG1 4.41Å; F1596-V1605 HydrophobicContact CZ-CG2 4.47Å; V1605-K1607 PolarHBondContact O-N 3.28Å; V1605-F1608 WeakPolarHBondContact O-CB 3.39Å; V1605-F1608 PolarHBondContact O-N 2.76Å; V1605-D1670 HydrophobicContact CG2-CB 4.03Å; V1605-D1670 PolarHBondContact N-OD1 2.76Å; V1605-D1670 VanDerWaalsContact N-OD1 3.17Å
1606W82.1Confident85.2Confident202 Ų20263.6 Ų63.677%0.76529%0.29SS*.G310 helixtrans-63.8-6.2-178.7-47.395.1000116.5R1604 F1667R1604-W1606 PolarHBondContact O-N 3.23Å; R1604-W1606 VanDerWaalsContact O-N 3.12Å; W1606-F1667 HydrophobicContact CZ2-CE1 4.1Å; W1606-F1667 HydrophobicContact CZ2-CZ 4.4Å
1607K83.8Confident85.2Confident162 Ų16262.8 Ų62.870%0.70429%0.289SS*.G310 helixtrans-114.43.3175.8-67.9-162.3173-1660113.4R1604 V1605R1604-K1607 PolarHBondContact O-N 3.02Å; V1605-K1607 PolarHBondContact O-N 3.28Å
1608F85.1Confident85.4Confident59 Ų5967.5 Ų67.526%0.25931%0.312SS..  trans-58.7148175.8176.9-117.9000112.1F1596 N1600 V1605 T1612 W1616F1596-F1608 HydrophobicContact CE2-CD1 4.16Å; F1596-F1608 HydrophobicContact CE2-CD2 4.01Å; F1596-F1608 HydrophobicContact CE2-CE1 4.36Å; F1596-F1608 HydrophobicContact CE2-CE2 4.22Å; F1596-F1608 AromaticContact CE2-CG 3.97Å; F1596-F1608 HydrophobicContact CE2-CG 3.97Å; F1596-F1608 HydrophobicContact CE2-CZ 4.38Å; F1596-F1608 HydrophobicContact CZ-CB 4.25Å; F1596-F1608 HydrophobicContact CZ-CD2 4.34Å; F1596-F1608 HydrophobicContact CZ-CG 4.17Å; N1600-F1608 WeakPolarHBondContact ND2-CD2 3.47Å; N1600-F1608 WeakPolarHBondContact ND2-CE2 3.47Å; N1600-F1608 VanDerWaalsContact OD1-CD2 3.27Å; N1600-F1608 WeakPolarHBondContact OD1-CD2 3.36Å; N1600-F1608 WeakPolarHBondContact OD1-CE2 3.45Å; V1605-F1608 WeakPolarHBondContact O-CB 3.39Å; V1605-F1608 PolarHBondContact O-N 2.76Å; F1608-T1612 WeakPolarHBondContact CD2-OG1 3.35Å; F1608-T1612 WeakPolarHBondContact CE2-OG1 3.45Å; F1608-W1616 HydrophobicContact CZ-CZ3 4.43Å
1609R85.9Confident85.7Confident180 Ų18069 Ų6968%0.67932%0.321SS*.  trans-145.1145.6171.8-62-179.2176.2-176.7-4.2107.6S1611 T1612R1609-S1611 PolarHBondContact O-N 2.83Å; R1609-T1612 HydrophobicContact CB-CG2 4.35Å; R1609-T1612 PolarHBondContact O-N 3.28Å; R1609-T1612 PolarHBondContact O-OG1 2.81Å
1610Y84Confident86Confident184 Ų18469.3 Ų69.372%0.72232%0.324SS*.THydrogen-bonded Turntrans-54.5-21.5176.8-61-76.6000114.3C1617Y1610-C1617 HydrophobicContact CD1-CB 4.38Å
1611S81.8Confident86.5Confident77 Ų7772 Ų7254%0.53834%0.343SS..THydrogen-bonded Turntrans-80.5-3.7175.769.50000115.5R1609R1609-S1611 PolarHBondContact O-N 2.83Å
1612T84.1Confident87Confident13 Ų1375.2 Ų75.28%0.0836%0.362CS..SBendtrans-78-33.3179.658.60000112.7Q1471 V1472 N1600 F1608 R1609Q1471-T1612 PolarHBondContact N-O 2.99Å; V1472-T1612 HydrophobicContact CG2-CG2 4.47Å; N1600-T1612 PolarHBondContact OD1-OG1 2.74Å; F1608-T1612 WeakPolarHBondContact CD2-OG1 3.35Å; F1608-T1612 WeakPolarHBondContact CE2-OG1 3.45Å; R1609-T1612 HydrophobicContact CB-CG2 4.35Å; R1609-T1612 PolarHBondContact O-N 3.28Å; R1609-T1612 PolarHBondContact O-OG1 2.81Å
1613N88.1Confident87.9Confident0 Ų074.9 Ų74.90%036%0.355CS..  trans-157.191.2169.2-176-19.8000108.6S1466 S1615 W1616 C1617S1466-N1613 PolarHBondContact O-ND2 2.96Å; S1466-N1613 PolarHBondContact O-OD1 3.34Å; N1613-S1615 VanDerWaalsContact C-N 3.31Å; N1613-S1615 PolarHBondContact O-N 2.82Å; N1613-S1615 PolarHBondContact OD1-N 3.18Å; N1613-S1615 PolarHBondContact OD1-OG 3.41Å; N1613-W1616 HydrophobicContact CB-CB 4.23Å; N1613-W1616 PolarHBondContact OD1-N 3.1Å; N1613-C1617 PolarHBondContact O-N 2.94Å; N1613-C1617 PolarHBondContact O-SG 3.11Å
1614P87.7Confident88.5Confident49 Ų4976 Ų7632%0.31836%0.358SS..Hα-helixtrans-67.5-33.3-177.327.5-34.1000112D1469 W1616 C1617 I1618D1469-P1614 WeakPolarHBondContact OD2-CD 3.29Å; D1469-P1614 WeakPolarHBondContact OD2-CG 3.44Å; P1614-W1616 PolarHBondContact O-N 2.83Å; P1614-C1617 WeakPolarHBondContact O-CB 3.36Å; P1614-C1617 PolarHBondContact O-N 3.47Å; P1614-I1618 WeakPolarHBondContact O-CG1 3.17Å; P1614-I1618 PolarHBondContact O-N 3.35Å; P1614-I1618 VanDerWaalsContact O-N 3.11Å
1615S89.4Confident89Confident35 Ų3574 Ų7425%0.24536%0.358CS..Hα-helixtrans-64.2-42.6-179.178.60000112.3S1466 N1613 I1618 V1619S1466-S1615 PolarHBondContact O-OG 3.38Å; N1613-S1615 VanDerWaalsContact C-N 3.31Å; N1613-S1615 PolarHBondContact O-N 2.82Å; N1613-S1615 PolarHBondContact OD1-N 3.18Å; N1613-S1615 PolarHBondContact OD1-OG 3.41Å; S1615-I1618 PolarHBondContact O-N 3.28Å; S1615-V1619 WeakPolarHBondContact O-CB 3.34Å; S1615-V1619 WeakPolarHBondContact O-CG2 3.39Å; S1615-V1619 PolarHBondContact O-N 3.29Å
1616W92.6Very high89.3Confident20 Ų2076.4 Ų76.48%0.07637%0.368CS..Hα-helixtrans-64-40174.718088.2000112I1592 S1595 F1596 A1599 F1608 N1613 P1614 I1618 V1619 S1620I1592-W1616 HydrophobicContact CG2-CZ2 4.42Å; S1595-W1616 PolarHBondContact OG-NE1 3.16Å; F1596-W1616 HydrophobicContact CB-CH2 3.95Å; F1596-W1616 HydrophobicContact CB-CZ2 3.75Å; F1596-W1616 AromaticContact CD2-CH2 3.62Å; F1596-W1616 HydrophobicContact CD2-CH2 3.62Å; F1596-W1616 HydrophobicContact CD2-CZ2 4.24Å; F1596-W1616 AromaticContact CD2-CZ3 3.84Å; F1596-W1616 HydrophobicContact CD2-CZ3 3.84Å; F1596-W1616 HydrophobicContact CG-CH2 4.28Å; A1599-W1616 HydrophobicContact CB-CB 4.18Å; A1599-W1616 HydrophobicContact CB-CD2 3.83Å; A1599-W1616 HydrophobicContact CB-CG 3.59Å; F1608-W1616 HydrophobicContact CZ-CZ3 4.43Å; N1613-W1616 HydrophobicContact CB-CB 4.23Å; N1613-W1616 PolarHBondContact OD1-N 3.1Å; P1614-W1616 PolarHBondContact O-N 2.83Å; W1616-I1618 PolarHBondContact O-N 2.88Å; W1616-V1619 PolarHBondContact O-N 3.14Å; W1616-S1620 WeakPolarHBondContact O-CB 3.48Å; W1616-S1620 PolarHBondContact O-N 3.42Å; W1616-S1620 PolarHBondContact O-OG 2.65Å
1617C91.7Very high89.8Confident14 Ų1467.1 Ų67.110%0.09533%0.333CS..Hα-helixtrans-59-47.9177.1-60.20000111.4Y1610 N1613 P1614 S1620 S1621Y1610-C1617 HydrophobicContact CD1-CB 4.38Å; N1613-C1617 PolarHBondContact O-N 2.94Å; N1613-C1617 PolarHBondContact O-SG 3.11Å; P1614-C1617 WeakPolarHBondContact O-CB 3.36Å; P1614-C1617 PolarHBondContact O-N 3.47Å; C1617-S1620 PolarHBondContact O-OG 3.16Å; C1617-S1620 VanDerWaalsContact O-OG 3.14Å; C1617-S1621 WeakPolarHBondContact O-CB 3.2Å; C1617-S1621 PolarHBondContact O-N 3.44Å; C1617-S1621 VanDerWaalsContact O-N 3.14Å; C1617-S1621 PolarHBondContact O-OG 3.47Å
1618I92.1Very high90.1Very high106 Ų10660.4 Ų60.454%0.54431%0.306SS..Hα-helixtrans-65.2-48-179-65.8163.6000110.8P1614 S1615 W1616 L1622P1614-I1618 WeakPolarHBondContact O-CG1 3.17Å; P1614-I1618 PolarHBondContact O-N 3.35Å; P1614-I1618 VanDerWaalsContact O-N 3.11Å; S1615-I1618 PolarHBondContact O-N 3.28Å; W1616-I1618 PolarHBondContact O-N 2.88Å; I1618-L1622 HydrophobicContact CG2-CD1 3.94Å; I1618-L1622 WeakPolarHBondContact O-CB 3.21Å; I1618-L1622 WeakPolarHBondContact O-CG 3.15Å; I1618-L1622 PolarHBondContact O-N 2.83Å
1619V93.4Very high90.4Very high35 Ų3561.1 Ų61.121%0.21232%0.315CS..Hα-helixtrans-67.5-44.8-177.9171.10000111.8L1463 S1615 W1616 S1621 L1622 I1623L1463-V1619 HydrophobicContact CD2-CG1 4.35Å; S1615-V1619 WeakPolarHBondContact O-CB 3.34Å; S1615-V1619 WeakPolarHBondContact O-CG2 3.39Å; S1615-V1619 PolarHBondContact O-N 3.29Å; W1616-V1619 PolarHBondContact O-N 3.14Å; V1619-S1621 PolarHBondContact O-N 2.66Å; V1619-L1622 PolarHBondContact O-N 3.1Å; V1619-I1623 HydrophobicContact CG1-CD1 3.68Å; V1619-I1623 HydrophobicContact CG1-CG1 4.4Å; V1619-I1623 WeakPolarHBondContact O-CG1 3.1Å; V1619-I1623 PolarHBondContact O-N 3.04Å
1620S93.8Very high90.6Very high9 Ų957 Ų576%0.06330%0.3CS..Hα-helixtrans-63.3-42.5179.761.80000111.9W1616 C1617 F1624W1616-S1620 WeakPolarHBondContact O-CB 3.48Å; W1616-S1620 PolarHBondContact O-N 3.42Å; W1616-S1620 PolarHBondContact O-OG 2.65Å; C1617-S1620 PolarHBondContact O-OG 3.16Å; C1617-S1620 VanDerWaalsContact O-OG 3.14Å; S1620-F1624 WeakPolarHBondContact O-CB 3.37Å; S1620-F1624 PolarHBondContact O-N 3.39Å
1621S93.5Very high90.7Very high63 Ų6348.7 Ų48.744%0.44127%0.268SS..Hα-helixtrans-63.8-44173.6-62.20000113C1617 V1619 F1624 I1625C1617-S1621 WeakPolarHBondContact O-CB 3.2Å; C1617-S1621 PolarHBondContact O-N 3.44Å; C1617-S1621 VanDerWaalsContact O-N 3.14Å; C1617-S1621 PolarHBondContact O-OG 3.47Å; V1619-S1621 PolarHBondContact O-N 2.66Å; S1621-F1624 PolarHBondContact O-N 2.93Å; S1621-I1625 WeakPolarHBondContact O-CB 3.27Å; S1621-I1625 WeakPolarHBondContact O-CD1 3.37Å; S1621-I1625 VanDerWaalsContact O-CG1 3.26Å; S1621-I1625 WeakPolarHBondContact O-CG1 3.09Å; S1621-I1625 PolarHBondContact O-N 2.92Å
1622L94.2Very high90.9Very high98 Ų9849.8 Ų49.851%0.51327%0.267SS..Hα-helixtrans-62-45.5178-81.6168.6000112.3I1618 V1619 I1625 L1626I1618-L1622 HydrophobicContact CG2-CD1 3.94Å; I1618-L1622 WeakPolarHBondContact O-CB 3.21Å; I1618-L1622 WeakPolarHBondContact O-CG 3.15Å; I1618-L1622 PolarHBondContact O-N 2.83Å; V1619-L1622 PolarHBondContact O-N 3.1Å; L1622-I1625 PolarHBondContact O-N 3.41Å; L1622-L1626 WeakPolarHBondContact O-CB 3.34Å; L1622-L1626 PolarHBondContact O-N 3.29Å
1623I93.6Very high91.1Very high14 Ų1453.6 Ų53.67%0.07229%0.286CS..Hα-helixtrans-63.2-45.3177.6-66.5169.6000110.1V1459 L1463 I1588 I1592 V1619 I1625 L1626 H1627V1459-I1623 HydrophobicContact CG1-CG2 4.3Å; V1459-I1623 HydrophobicContact CG2-CG2 4.5Å; L1463-I1623 HydrophobicContact CD1-CD1 4.48Å; L1463-I1623 HydrophobicContact CD2-CD1 3.93Å; L1463-I1623 HydrophobicContact CG-CD1 3.77Å; I1588-I1623 HydrophobicContact CG2-CG2 4.2Å; I1592-I1623 HydrophobicContact CD1-CG2 4.09Å; V1619-I1623 HydrophobicContact CG1-CD1 3.68Å; V1619-I1623 HydrophobicContact CG1-CG1 4.4Å; V1619-I1623 WeakPolarHBondContact O-CG1 3.1Å; V1619-I1623 PolarHBondContact O-N 3.04Å; I1623-I1625 PolarHBondContact O-N 3.11Å; I1623-L1626 PolarHBondContact O-N 2.79Å; I1623-H1627 WeakPolarHBondContact O-CB 3.22Å; I1623-H1627 PolarHBondContact O-N 2.86Å
1624F93.7Very high90.8Very high88 Ų8857.7 Ų57.739%0.38630%0.302SS..Hα-helixtrans-59-47.1177.6174.9-121.1000112.5M1589 I1592 S1620 S1621 S1628M1589-F1624 HydrophobicContact CE-CD2 3.8Å; M1589-F1624 HydrophobicContact CE-CE2 3.57Å; M1589-F1624 HydrophobicContact SD-CD2 3.41Å; M1589-F1624 WeakPolarHBondContact SD-CD2 3.27Å; M1589-F1624 HydrophobicContact SD-CE2 3.57Å; M1589-F1624 VanDerWaalsContact SD-CE2 3.57Å; I1592-F1624 HydrophobicContact CD1-CB 4.28Å; S1620-F1624 WeakPolarHBondContact O-CB 3.37Å; S1620-F1624 PolarHBondContact O-N 3.39Å; S1621-F1624 PolarHBondContact O-N 2.93Å; F1624-S1628 WeakPolarHBondContact CE2-OG 3.3Å; F1624-S1628 VanDerWaalsContact O-CB 3.3Å; F1624-S1628 WeakPolarHBondContact O-CB 3.26Å; F1624-S1628 PolarHBondContact O-N 3.36Å; F1624-S1628 PolarHBondContact O-OG 3.15Å
1625I94.4Very high90.3Very high98 Ų9858.5 Ų58.550%0.50330%0.303SS..Hα-helixtrans-64.5-49179.6-68.5164.4000110.6S1621 L1622 I1623 H1627 S1628 V1629S1621-I1625 WeakPolarHBondContact O-CB 3.27Å; S1621-I1625 WeakPolarHBondContact O-CD1 3.37Å; S1621-I1625 VanDerWaalsContact O-CG1 3.26Å; S1621-I1625 WeakPolarHBondContact O-CG1 3.09Å; S1621-I1625 PolarHBondContact O-N 2.92Å; L1622-I1625 PolarHBondContact O-N 3.41Å; I1623-I1625 PolarHBondContact O-N 3.11Å; I1625-H1627 PolarHBondContact O-N 2.87Å; I1625-S1628 PolarHBondContact O-N 3.33Å; I1625-V1629 HydrophobicContact CG2-CG2 4.45Å; I1625-V1629 WeakPolarHBondContact O-CB 3.37Å; I1625-V1629 WeakPolarHBondContact O-CG2 3.29Å; I1625-V1629 PolarHBondContact O-N 2.8Å
1626L91.5Very high89.8Confident99 Ų9960.4 Ų60.452%0.51832%0.316SS..Hα-helixtrans-59-44178.6-85.5160.8000112.2L1622 I1623 Y1630L1622-L1626 WeakPolarHBondContact O-CB 3.34Å; L1622-L1626 PolarHBondContact O-N 3.29Å; I1623-L1626 PolarHBondContact O-N 2.79Å; L1626-Y1630 WeakPolarHBondContact O-CB 3.32Å; L1626-Y1630 PolarHBondContact O-N 3.5Å
1627H91.4Very high89.1Confident7 Ų763.8 Ų63.83%0.03233%0.334CS..Hα-helixtrans-71.8-35.6179.3-120.1-69.8000113.2W1454 F1584 Y1585 I1588 I1623 I1625 Y1630 M1631W1454-H1627 AromaticContact CD1-NE2 3.49Å; W1454-H1627 AromaticContact NE1-CD2 3.45Å; W1454-H1627 PolarHBondContact NE1-CD2 2.78Å; W1454-H1627 AromaticContact NE1-NE2 3.08Å; W1454-H1627 PolarHBondContact NE1-NE2 2.72Å; F1584-H1627 AromaticContact CD1-CE1 3.83Å; F1584-H1627 AromaticContact CE1-CE1 3.6Å; F1584-H1627 AromaticContact CE1-NE2 3.73Å; Y1585-H1627 HydrophobicContact CD2-CB 4.09Å; Y1585-H1627 HydrophobicContact CE2-CB 4.18Å; I1588-H1627 WeakPolarHBondContact CD1-NE2 3.5Å; I1623-H1627 WeakPolarHBondContact O-CB 3.22Å; I1623-H1627 PolarHBondContact O-N 2.86Å; I1625-H1627 PolarHBondContact O-N 2.87Å; H1627-Y1630 PolarHBondContact O-N 2.86Å; H1627-M1631 WeakPolarHBondContact O-CG 3.34Å; H1627-M1631 PolarHBondContact O-N 2.92Å
1628S90.8Very high88.1Confident20 Ų2063.9 Ų63.914%0.1433%0.334CS..Hα-helixtrans-63.4-46174.3-58.90000111Y1585 F1624 I1625 M1631 I1632Y1585-S1628 PolarHBondContact OH-OG 3.21Å; F1624-S1628 WeakPolarHBondContact CE2-OG 3.3Å; F1624-S1628 VanDerWaalsContact O-CB 3.3Å; F1624-S1628 WeakPolarHBondContact O-CB 3.26Å; F1624-S1628 PolarHBondContact O-N 3.36Å; F1624-S1628 PolarHBondContact O-OG 3.15Å; I1625-S1628 PolarHBondContact O-N 3.33Å; S1628-M1631 PolarHBondContact O-N 3.43Å; S1628-I1632 WeakPolarHBondContact O-CD1 3.45Å; S1628-I1632 VanDerWaalsContact O-CG1 3.25Å; S1628-I1632 WeakPolarHBondContact O-CG1 3.31Å; S1628-I1632 PolarHBondContact O-N 3Å
1629V92.2Very high87.1Confident74 Ų7461.1 Ų61.145%0.44832%0.321SS..Hα-helixtrans-62.4-43.4176170.50000111.2I1625 M1631 I1632 I1633I1625-V1629 HydrophobicContact CG2-CG2 4.45Å; I1625-V1629 WeakPolarHBondContact O-CB 3.37Å; I1625-V1629 WeakPolarHBondContact O-CG2 3.29Å; I1625-V1629 PolarHBondContact O-N 2.8Å; V1629-M1631 PolarHBondContact O-N 2.91Å; V1629-I1632 PolarHBondContact O-N 2.79Å; V1629-I1633 HydrophobicContact CG1-CD1 3.76Å; V1629-I1633 HydrophobicContact CG1-CG1 4.49Å; V1629-I1633 VanDerWaalsContact O-CG1 3.29Å; V1629-I1633 WeakPolarHBondContact O-CG1 3.35Å; V1629-I1633 PolarHBondContact O-N 2.95Å
1630Y89.5Confident85.9Confident93 Ų9364 Ų6437%0.36534%0.342SS..Hα-helixtrans-57.7-47.9174.2175.8-95.8000112L1626 H1627 I1633 R1634L1626-Y1630 WeakPolarHBondContact O-CB 3.32Å; L1626-Y1630 PolarHBondContact O-N 3.5Å; H1627-Y1630 PolarHBondContact O-N 2.86Å; Y1630-I1633 PolarHBondContact O-N 3.17Å; Y1630-R1634 HydrophobicContact CD1-CG 4.17Å; Y1630-R1634 HydrophobicContact CD2-CG 4.5Å; Y1630-R1634 HydrophobicContact CE1-CG 3.75Å; Y1630-R1634 HydrophobicContact CE2-CG 4.12Å; Y1630-R1634 VanDerWaalsContact O-CG 3.31Å; Y1630-R1634 WeakPolarHBondContact O-CG 3.21Å; Y1630-R1634 PolarHBondContact O-N 2.8Å
1631M86.7Confident84.6Confident10 Ų1066.5 Ų66.55%0.04936%0.36CS..Hα-helixtrans-65.5-40.5179.4-71.6-54.4-60.400112.7D1581 L1582 Y1585 H1627 S1628 V1629 R1634 L1635D1581-M1631 HydrophobicContact CB-CE 4.03Å; D1581-M1631 HydrophobicContact CB-SD 4.16Å; L1582-M1631 HydrophobicContact CB-CE 4.27Å; L1582-M1631 HydrophobicContact CD1-CE 4.35Å; Y1585-M1631 HydrophobicContact CD1-CG 4.2Å; Y1585-M1631 HydrophobicContact CD2-CG 3.7Å; Y1585-M1631 HydrophobicContact CE2-CG 4.34Å; Y1585-M1631 HydrophobicContact CG-CG 3.62Å; Y1585-M1631 HydrophobicContact CG-SD 4.44Å; H1627-M1631 WeakPolarHBondContact O-CG 3.34Å; H1627-M1631 PolarHBondContact O-N 2.92Å; S1628-M1631 PolarHBondContact O-N 3.43Å; V1629-M1631 PolarHBondContact O-N 2.91Å; M1631-R1634 PolarHBondContact O-N 2.94Å; M1631-L1635 WeakPolarHBondContact O-CB 3.37Å; M1631-L1635 VanDerWaalsContact O-CG 3.29Å; M1631-L1635 WeakPolarHBondContact O-CG 3.37Å; M1631-L1635 PolarHBondContact O-N 3.28Å
1632I85.9Confident83Confident101 Ų10163.9 Ų63.952%0.51834%0.341SS..Hα-helixtrans-59.9-47.3174.5-69.4162.7000110.1S1628 V1629 R1634 L1635 C1636S1628-I1632 WeakPolarHBondContact O-CD1 3.45Å; S1628-I1632 VanDerWaalsContact O-CG1 3.25Å; S1628-I1632 WeakPolarHBondContact O-CG1 3.31Å; S1628-I1632 PolarHBondContact O-N 3Å; V1629-I1632 PolarHBondContact O-N 2.79Å; I1632-R1634 PolarHBondContact O-N 3.39Å; I1632-L1635 PolarHBondContact O-N 2.94Å; I1632-C1636 PolarHBondContact O-N 3.05Å; I1632-C1636 PolarHBondContact O-SG 3.49Å
1633I86.9Confident81.1Confident92 Ų9270.5 Ų70.547%0.47236%0.359SS..Hα-helixtrans-60.8-43.8177.4-68.9166.6000111.2V1629 Y1630 C1636 I1637V1629-I1633 HydrophobicContact CG1-CD1 3.76Å; V1629-I1633 HydrophobicContact CG1-CG1 4.49Å; V1629-I1633 VanDerWaalsContact O-CG1 3.29Å; V1629-I1633 WeakPolarHBondContact O-CG1 3.35Å; V1629-I1633 PolarHBondContact O-N 2.95Å; Y1630-I1633 PolarHBondContact O-N 3.17Å; I1633-C1636 PolarHBondContact O-N 3.11Å; I1633-I1637 HydrophobicContact CG2-CD1 3.87Å; I1633-I1637 WeakPolarHBondContact O-CD1 3.49Å; I1633-I1637 VanDerWaalsContact O-CG1 3.27Å; I1633-I1637 WeakPolarHBondContact O-CG1 3.36Å; I1633-I1637 PolarHBondContact O-N 3.11Å
1634R81.9Confident79Confident86 Ų8673.7 Ų73.733%0.32538%0.376SS..Hα-helixtrans-62.9-43.6177.2-69.2-72.4-75173.5-5.4112D1581 Y1630 M1631 I1632 I1637 V1638D1581-R1634 IonicContact OD1-NH2 3.72Å; D1581-R1634 IonicContact OD2-CZ 3.96Å; D1581-R1634 IonicContact OD2-NE 2.73Å; D1581-R1634 PolarHBondContact OD2-NE 2.8Å; D1581-R1634 IonicContact OD2-NH2 3.64Å; D1581-R1634 PolarHBondContact OD2-NH2 3.34Å; Y1630-R1634 HydrophobicContact CD1-CG 4.17Å; Y1630-R1634 HydrophobicContact CD2-CG 4.5Å; Y1630-R1634 HydrophobicContact CE1-CG 3.75Å; Y1630-R1634 HydrophobicContact CE2-CG 4.12Å; Y1630-R1634 VanDerWaalsContact O-CG 3.31Å; Y1630-R1634 WeakPolarHBondContact O-CG 3.21Å; Y1630-R1634 PolarHBondContact O-N 2.8Å; M1631-R1634 PolarHBondContact O-N 2.94Å; I1632-R1634 PolarHBondContact O-N 3.39Å; R1634-I1637 PolarHBondContact O-N 2.86Å; R1634-V1638 WeakPolarHBondContact O-CG2 3.47Å; R1634-V1638 PolarHBondContact O-N 2.94Å
1635L76.8Confident77.1Confident67 Ų6773.4 Ų73.435%0.35138%0.381SS..Hα-helixtrans-63.5-45.4176.4-71.8167.5000111.8M1631 I1632 I1637 V1638 D1639M1631-L1635 WeakPolarHBondContact O-CB 3.37Å; M1631-L1635 VanDerWaalsContact O-CG 3.29Å; M1631-L1635 WeakPolarHBondContact O-CG 3.37Å; M1631-L1635 PolarHBondContact O-N 3.28Å; I1632-L1635 PolarHBondContact O-N 2.94Å; L1635-I1637 VanDerWaalsContact C-N 3.31Å; L1635-I1637 PolarHBondContact O-N 3.29Å; L1635-V1638 WeakPolarHBondContact O-CB 3.42Å; L1635-V1638 PolarHBondContact O-N 3.48Å; L1635-V1638 VanDerWaalsContact O-N 3.13Å; L1635-D1639 PolarHBondContact O-N 2.75Å
1636C79.8Confident75.2Confident75 Ų7569.9 Ų69.951%0.50737%0.365SS..Hα-helixtrans-60.5-37.9175.8-67.20000112.9I1632 I1633 S1640I1632-C1636 PolarHBondContact O-N 3.05Å; I1632-C1636 PolarHBondContact O-SG 3.49Å; I1633-C1636 PolarHBondContact O-N 3.11Å; C1636-S1640 WeakPolarHBondContact O-CB 3.4Å; C1636-S1640 PolarHBondContact O-N 2.8Å
1637I77.6Confident73.3Confident90 Ų9074.7 Ų74.746%0.46238%0.377SS..Hα-helixtrans-64.2-46.4173.9-69.7164.6000110.2I1633 R1634 L1635 S1640 S1641I1633-I1637 HydrophobicContact CG2-CD1 3.87Å; I1633-I1637 WeakPolarHBondContact O-CD1 3.49Å; I1633-I1637 VanDerWaalsContact O-CG1 3.27Å; I1633-I1637 WeakPolarHBondContact O-CG1 3.36Å; I1633-I1637 PolarHBondContact O-N 3.11Å; R1634-I1637 PolarHBondContact O-N 2.86Å; L1635-I1637 VanDerWaalsContact C-N 3.31Å; L1635-I1637 PolarHBondContact O-N 3.29Å; I1637-S1640 PolarHBondContact O-N 2.89Å; I1637-S1640 PolarHBondContact O-OG 2.64Å; I1637-S1641 PolarHBondContact O-N 3.15Å; I1637-S1641 VanDerWaalsContact O-N 3.08Å
1638V71.1Confident71.6Confident17 Ų1780.6 Ų80.610%0.10340%0.404CS..Hα-helixtrans-58.9-50177.71700000111I1574 R1634 L1635 S1640 S1641 L1642I1574-V1638 HydrophobicContact CG2-CG1 4.28Å; I1574-V1638 HydrophobicContact CG2-CG2 4.14Å; R1634-V1638 WeakPolarHBondContact O-CG2 3.47Å; R1634-V1638 PolarHBondContact O-N 2.94Å; L1635-V1638 WeakPolarHBondContact O-CB 3.42Å; L1635-V1638 PolarHBondContact O-N 3.48Å; L1635-V1638 VanDerWaalsContact O-N 3.13Å; V1638-S1640 VanDerWaalsContact C-N 3.34Å; V1638-S1640 PolarHBondContact O-N 2.87Å; V1638-S1641 PolarHBondContact O-N 3.38Å; V1638-S1641 PolarHBondContact O-OG 2.84Å; V1638-L1642 HydrophobicContact CG1-CD1 3.69Å; V1638-L1642 PolarHBondContact O-N 3.23Å
1639D69.6Low69.8Low48 Ų4880.3 Ų80.326%0.25740%0.401SS..Hα-helixtrans-55.8-46176.7-78.2-30.4000111.9L1635 S1641 L1642 R1643 S1646L1635-D1639 PolarHBondContact O-N 2.75Å; D1639-S1641 PolarHBondContact O-N 3.38Å; D1639-L1642 PolarHBondContact O-N 2.9Å; D1639-R1643 PolarHBondContact O-N 3.31Å; D1639-S1646 WeakPolarHBondContact OD1-CA 3.42Å; D1639-S1646 WeakPolarHBondContact OD1-CB 3.36Å; D1639-S1646 PolarHBondContact OD1-N 3.44Å; D1639-S1646 PolarHBondContact OD1-OG 3.48Å; D1639-S1646 PolarHBondContact OD2-OG 3.14Å
1640S70.1Confident68.5Low94 Ų9478.1 Ų78.166%0.65739%0.387SS*.Hα-helixtrans-62.3-30.8177.679.30000113.4C1636 I1637 V1638C1636-S1640 WeakPolarHBondContact O-CB 3.4Å; C1636-S1640 PolarHBondContact O-N 2.8Å; I1637-S1640 PolarHBondContact O-N 2.89Å; I1637-S1640 PolarHBondContact O-OG 2.64Å; V1638-S1640 VanDerWaalsContact C-N 3.34Å; V1638-S1640 PolarHBondContact O-N 2.87Å
1641S66.6Low67.7Low62 Ų6274.4 Ų74.443%0.43437%0.374SS..Hα-helixtrans-83.9-32.3-176.3740000113.8I1637 V1638 D1639I1637-S1641 PolarHBondContact O-N 3.15Å; I1637-S1641 VanDerWaalsContact O-N 3.08Å; V1638-S1641 PolarHBondContact O-N 3.38Å; V1638-S1641 PolarHBondContact O-OG 2.84Å; D1639-S1641 PolarHBondContact O-N 3.38Å
1642L58.8Low67.1Low9 Ų977.4 Ų77.45%0.04739%0.394CS..Hα-helixtrans-95.1-19.8-175-92.2129.5000114.3K1571 I1574 V1638 D1639 L1644 I1649K1571-L1642 HydrophobicContact CB-CD2 3.91Å; K1571-L1642 HydrophobicContact CD-CD2 4.01Å; K1571-L1642 HydrophobicContact CG-CD2 3.68Å; K1571-L1642 HydrophobicContact CG-CG 4.36Å; I1574-L1642 HydrophobicContact CB-CD1 4.44Å; I1574-L1642 HydrophobicContact CG2-CD1 3.74Å; V1638-L1642 HydrophobicContact CG1-CD1 3.69Å; V1638-L1642 PolarHBondContact O-N 3.23Å; D1639-L1642 PolarHBondContact O-N 2.9Å; L1642-L1644 PolarHBondContact O-N 3.34Å; L1642-I1649 HydrophobicContact CB-CD1 4.43Å; L1642-I1649 HydrophobicContact CD1-CD1 4.36Å; L1642-I1649 HydrophobicContact CD2-CD1 4.13Å
1643R53.8Low66.9Low237 Ų23778 Ų7889%0.89440%0.397SS*.SBendtrans55.321.3-170.7-62.2-172.6177.1-171.8-0.2114.3D1639D1639-R1643 PolarHBondContact O-N 3.31Å
1644L49.5Very low66.8Low81 Ų8174.8 Ų74.842%0.42438%0.381SS..SBendtrans-117.6149.9169.5-116.569.8000108.1L1642 S1646 I1649L1642-L1644 PolarHBondContact O-N 3.34Å; L1644-S1646 PolarHBondContact O-N 3.15Å; L1644-I1649 HydrophobicContact CB-CD1 3.96Å; L1644-I1649 HydrophobicContact CB-CG1 4.45Å; L1644-I1649 HydrophobicContact CD2-CD1 4.47Å; L1644-I1649 HydrophobicContact CD2-CG1 4.29Å
1645T53.9Low66.8Low82 Ų8271.3 Ų71.350%0.50337%0.37SS..  trans-71.5122.6170.545.90000110.1W1647 H1648T1645-W1647 PolarHBondContact O-N 3.08Å; T1645-H1648 PolarHBondContact O-N 3.15Å
1646S55.2Low67.2Low24 Ų2470.3 Ų70.317%0.16837%0.371CS..Hα-helixtrans-40.8-36.3175.837.30000114.4D1639 L1644 H1648 I1649 L1650D1639-S1646 WeakPolarHBondContact OD1-CA 3.42Å; D1639-S1646 WeakPolarHBondContact OD1-CB 3.36Å; D1639-S1646 PolarHBondContact OD1-N 3.44Å; D1639-S1646 PolarHBondContact OD1-OG 3.48Å; D1639-S1646 PolarHBondContact OD2-OG 3.14Å; L1644-S1646 PolarHBondContact O-N 3.15Å; S1646-H1648 PolarHBondContact O-N 2.81Å; S1646-I1649 PolarHBondContact O-N 3.25Å; S1646-L1650 PolarHBondContact O-N 2.95Å
1647W51.7Low67.6Low199 Ų19972 Ų7275%0.75437%0.37SS*.Hα-helixtrans-52-30.3175.1-59.389.5000115.9T1645T1645-W1647 PolarHBondContact O-N 3.08Å
1648H54.7Low68Low132 Ų13267.7 Ų67.761%0.61135%0.348SS*.Hα-helixtrans-88-18.3175.5-86.2-75.2000113.8T1645 S1646T1645-H1648 PolarHBondContact O-N 3.15Å; S1646-H1648 PolarHBondContact O-N 2.81Å
1649I54.5Low68.9Low13 Ų1370.7 Ų70.77%0.06736%0.36CS..Hα-helixtrans-88.2-29.9-170.3-62.9-174.7000111.4L1575 L1642 L1644 S1646L1575-I1649 HydrophobicContact CD1-CG2 3.44Å; L1575-I1649 VanDerWaalsContact CD1-CG2 3.44Å; L1575-I1649 HydrophobicContact CD2-CG2 4.49Å; L1575-I1649 HydrophobicContact CG-CG2 4.48Å; L1642-I1649 HydrophobicContact CB-CD1 4.43Å; L1642-I1649 HydrophobicContact CD1-CD1 4.36Å; L1642-I1649 HydrophobicContact CD2-CD1 4.13Å; L1644-I1649 HydrophobicContact CB-CD1 3.96Å; L1644-I1649 HydrophobicContact CB-CG1 4.45Å; L1644-I1649 HydrophobicContact CD2-CD1 4.47Å; L1644-I1649 HydrophobicContact CD2-CG1 4.29Å; S1646-I1649 PolarHBondContact O-N 3.25Å
1650L64.1Low69.9Low29 Ų2973.4 Ų73.415%0.15237%0.373CS..SBendtrans-132.6103.9-166.7-167.6151.3000109.5H1519 L1579 L1582 S1646 P1652 S1655H1519-L1650 WeakPolarHBondContact CE1-CD2 3.31Å; L1579-L1650 HydrophobicContact CD2-CD1 3.68Å; L1579-L1650 HydrophobicContact CD2-CG 4.01Å; L1579-L1650 HydrophobicContact CG-CD1 4.46Å; L1582-L1650 HydrophobicContact CD2-CD1 3.78Å; L1582-L1650 HydrophobicContact CD2-CD2 3.49Å; L1582-L1650 VanDerWaalsContact CD2-CD2 3.49Å; L1582-L1650 HydrophobicContact CD2-CG 4.24Å; S1646-L1650 PolarHBondContact O-N 2.95Å; L1650-P1652 WeakPolarHBondContact O-CD 3.43Å; L1650-S1655 WeakPolarHBondContact CD2-OG 3.26Å
1651S73.6Confident71Confident14 Ų1470.6 Ų70.610%0.09835%0.348CS..  trans-45.4109.8-168.2177.70000113.5H1519 I1653 I1654 S1655H1519-S1651 PolarHBondContact CE1-O 3.18Å; H1519-S1651 VanDerWaalsContact CE1-O 3.23Å; S1651-I1653 PolarHBondContact O-N 3.18Å; S1651-I1654 PolarHBondContact O-N 3.29Å; S1651-I1654 VanDerWaalsContact O-N 3.11Å; S1651-S1655 PolarHBondContact O-N 3.05Å
1652P74Confident72.2Confident74 Ų7468.3 Ų68.348%0.48133%0.332SS..Hα-helixtrans-66.7-25.7-172.524.5-33.7000112.3L1650 A1656L1650-P1652 WeakPolarHBondContact O-CD 3.43Å; P1652-A1656 WeakPolarHBondContact O-CB 3.35Å; P1652-A1656 PolarHBondContact O-N 2.84Å
1653I81.2Confident73.7Confident113 Ų11373 Ų7358%0.57936%0.356SS*.Hα-helixtrans-64.7-42.4175.7-63.8172.1000110.8W1522 S1651 A1656 F1657W1522-I1653 HydrophobicContact CZ3-CD1 4.21Å; S1651-I1653 PolarHBondContact O-N 3.18Å; I1653-A1656 PolarHBondContact O-N 3.14Å; I1653-F1657 PolarHBondContact O-N 2.77Å
1654I84.1Confident75.5Confident25 Ų2565.8 Ų65.813%0.12834%0.335CS..Hα-helixtrans-75.5-38.2-176.3-58.3178.2000110.3G1518 W1522 S1651 F1657 G1658G1518-I1654 WeakPolarHBondContact O-CD1 3.44Å; W1522-I1654 HydrophobicContact CB-CD1 4.05Å; W1522-I1654 HydrophobicContact CD2-CD1 4.17Å; W1522-I1654 HydrophobicContact CE3-CD1 4.47Å; W1522-I1654 HydrophobicContact CG-CD1 4.01Å; S1651-I1654 PolarHBondContact O-N 3.29Å; S1651-I1654 VanDerWaalsContact O-N 3.11Å; I1654-F1657 WeakPolarHBondContact O-CB 3.16Å; I1654-F1657 PolarHBondContact O-N 2.78Å; I1654-G1658 PolarHBondContact O-N 3.42Å; I1654-G1658 VanDerWaalsContact O-N 3.14Å
1655S81.4Confident77.5Confident13 Ų1362 Ų629%0.09132%0.315CS..Hα-helixtrans-65.4-41.1169.6-84.30000112.9H1519 L1582 L1650 S1651 F1657 G1658 F1659H1519-S1655 PolarHBondContact CE1-OG 2.78Å; H1519-S1655 VanDerWaalsContact CE1-OG 3.24Å; H1519-S1655 PolarHBondContact NE2-OG 3.31Å; H1519-S1655 VanDerWaalsContact NE2-OG 3.09Å; L1582-S1655 WeakPolarHBondContact CD2-OG 3.21Å; L1650-S1655 WeakPolarHBondContact CD2-OG 3.26Å; S1651-S1655 PolarHBondContact O-N 3.05Å; S1655-F1657 VanDerWaalsContact C-N 3.31Å; S1655-F1657 PolarHBondContact O-N 3.24Å; S1655-G1658 PolarHBondContact O-N 3.07Å; S1655-F1659 WeakPolarHBondContact O-CD2 3.22Å; S1655-F1659 PolarHBondContact O-N 3.21Å
1656A85.1Confident79.1Confident45 Ų4561 Ų6137%0.37231%0.306SS..Hα-helixtrans-60.7-40.4174.500000111.5P1652 I1653 G1658 F1659 I1660P1652-A1656 WeakPolarHBondContact O-CB 3.35Å; P1652-A1656 PolarHBondContact O-N 2.84Å; I1653-A1656 PolarHBondContact O-N 3.14Å; A1656-G1658 PolarHBondContact O-N 3.1Å; A1656-F1659 PolarHBondContact O-N 2.96Å; A1656-I1660 WeakPolarHBondContact O-CB 3.32Å; A1656-I1660 WeakPolarHBondContact O-CD1 3.49Å; A1656-I1660 WeakPolarHBondContact O-CG1 3.43Å; A1656-I1660 PolarHBondContact O-N 3.18Å
1657F89.3Confident80.8Confident111 Ų11165.5 Ų65.549%0.48732%0.323SS..Hα-helixtrans-58.4-47173.3179.6-100.4000112.2V1511 I1653 I1654 S1655 F1659 I1660 W1661V1511-F1657 HydrophobicContact CG1-CE1 4.21Å; I1653-F1657 PolarHBondContact O-N 2.77Å; I1654-F1657 WeakPolarHBondContact O-CB 3.16Å; I1654-F1657 PolarHBondContact O-N 2.78Å; S1655-F1657 VanDerWaalsContact C-N 3.31Å; S1655-F1657 PolarHBondContact O-N 3.24Å; F1657-F1659 PolarHBondContact O-N 3.17Å; F1657-I1660 PolarHBondContact O-N 3.13Å; F1657-W1661 PolarHBondContact O-N 3.42Å
1658G86.3Confident82.7Confident0 Ų058.4 Ų58.40%030%0.299CS..Hα-helixtrans-59.1-42.7174.100000113.4Y1590 I1654 S1655 A1656 W1661Y1590-G1658 PolarHBondContact OH-O 3.37Å; I1654-G1658 PolarHBondContact O-N 3.42Å; I1654-G1658 VanDerWaalsContact O-N 3.14Å; S1655-G1658 PolarHBondContact O-N 3.07Å; A1656-G1658 PolarHBondContact O-N 3.1Å; G1658-W1661 WeakPolarHBondContact O-CB 3.46Å; G1658-W1661 PolarHBondContact O-N 2.84Å
1659F89.2Confident84.3Confident79 Ų7952.3 Ų52.335%0.34627%0.271SS..Hα-helixtrans-74.2-29.4177.2-67.7-58.3000113.8L1582 Y1585 Q1586 S1655 A1656 F1657 W1661 C1662L1582-F1659 HydrophobicContact CD1-CZ 4.21Å; Y1585-F1659 HydrophobicContact CD1-CE1 4.05Å; Y1585-F1659 HydrophobicContact CD1-CZ 4.01Å; Y1585-F1659 AromaticContact CE1-CE1 3.66Å; Y1585-F1659 HydrophobicContact CE1-CE1 3.66Å; Y1585-F1659 AromaticContact CE1-CZ 3.78Å; Y1585-F1659 HydrophobicContact CE1-CZ 3.78Å; Q1586-F1659 HydrophobicContact CG-CE1 4.42Å; S1655-F1659 WeakPolarHBondContact O-CD2 3.22Å; S1655-F1659 PolarHBondContact O-N 3.21Å; A1656-F1659 PolarHBondContact O-N 2.96Å; F1657-F1659 PolarHBondContact O-N 3.17Å; F1659-W1661 VanDerWaalsContact C-N 3.29Å; F1659-C1662 VanDerWaalsContact O-CB 3.29Å; F1659-C1662 WeakPolarHBondContact O-CB 3.25Å; F1659-C1662 PolarHBondContact O-N 3.06Å
1660I91Very high86Confident106 Ų10653.2 Ų53.254%0.54428%0.276SS..Hα-helixtrans-66.4-33.7171.2-72.1163.3000110.6A1656 F1657 C1662 I1663 L1664A1656-I1660 WeakPolarHBondContact O-CB 3.32Å; A1656-I1660 WeakPolarHBondContact O-CD1 3.49Å; A1656-I1660 WeakPolarHBondContact O-CG1 3.43Å; A1656-I1660 PolarHBondContact O-N 3.18Å; F1657-I1660 PolarHBondContact O-N 3.13Å; I1660-C1662 PolarHBondContact O-N 3.21Å; I1660-I1663 PolarHBondContact O-N 2.84Å; I1660-L1664 PolarHBondContact O-N 2.9Å
1661W93.5Very high87.2Confident35 Ų3556.5 Ų56.513%0.13329%0.293CS..Hα-helixtrans-57.7-32.7174.8-172.5-102.4000112.9P1507 S1508 V1511 Y1590 F1657 G1658 F1659 I1663 L1664 L1665 I1668P1507-W1661 HydrophobicContact CB-CH2 4.23Å; P1507-W1661 HydrophobicContact CB-CZ2 3.71Å; S1508-W1661 PolarHBondContact OG-NE1 3.15Å; S1508-W1661 VanDerWaalsContact OG-NE1 3.11Å; V1511-W1661 HydrophobicContact CB-CD2 4.32Å; V1511-W1661 HydrophobicContact CB-CG 4.3Å; V1511-W1661 HydrophobicContact CG1-CB 4.04Å; V1511-W1661 HydrophobicContact CG1-CD2 4.26Å; V1511-W1661 HydrophobicContact CG1-CG 3.88Å; V1511-W1661 HydrophobicContact CG2-CD2 3.74Å; V1511-W1661 HydrophobicContact CG2-CE3 3.88Å; V1511-W1661 HydrophobicContact CG2-CG 4.22Å; V1511-W1661 HydrophobicContact CG2-CH2 4.29Å; V1511-W1661 HydrophobicContact CG2-CZ2 4.17Å; V1511-W1661 HydrophobicContact CG2-CZ3 4.13Å; Y1590-W1661 HydrophobicContact CE1-CB 4.28Å; Y1590-W1661 AromaticContact CE1-CD1 3.66Å; Y1590-W1661 HydrophobicContact CE1-CG 4.38Å; Y1590-W1661 AromaticContact CZ-CD1 3.72Å; F1657-W1661 PolarHBondContact O-N 3.42Å; G1658-W1661 WeakPolarHBondContact O-CB 3.46Å; G1658-W1661 PolarHBondContact O-N 2.84Å; F1659-W1661 VanDerWaalsContact C-N 3.29Å; W1661-I1663 VanDerWaalsContact C-N 3.27Å; W1661-I1663 PolarHBondContact O-N 2.62Å; W1661-L1664 HydrophobicContact CE3-CB 4.4Å; W1661-L1664 HydrophobicContact CE3-CD2 3.72Å; W1661-L1664 HydrophobicContact CH2-CD2 4.06Å; W1661-L1664 HydrophobicContact CZ3-CD2 3.38Å; W1661-L1664 PolarHBondContact O-N 2.99Å; W1661-L1665 WeakPolarHBondContact O-CB 3.46Å; W1661-L1665 PolarHBondContact O-N 2.78Å; W1661-I1668 HydrophobicContact CH2-CD1 3.9Å; W1661-I1668 HydrophobicContact CZ2-CD1 4.09Å
1662C90.8Very high88Confident14 Ų1456.9 Ų56.910%0.09529%0.294CS..Hα-helixtrans-54.3-42.1173.2-69.50000112.8I1593 F1659 I1660 L1666I1593-C1662 HydrophobicContact CD1-CB 3.44Å; I1593-C1662 VanDerWaalsContact CD1-CB 3.44Å; F1659-C1662 VanDerWaalsContact O-CB 3.29Å; F1659-C1662 WeakPolarHBondContact O-CB 3.25Å; F1659-C1662 PolarHBondContact O-N 3.06Å; I1660-C1662 PolarHBondContact O-N 3.21Å; C1662-L1666 PolarHBondContact O-N 3.06Å
1663I90.6Very high88.6Confident106 Ų10654.1 Ų54.154%0.54428%0.277SS..Hα-helixtrans-71.1-44.8179.6-57.3176.4000109.7I1660 W1661 L1665 L1666 F1667I1660-I1663 PolarHBondContact O-N 2.84Å; W1661-I1663 VanDerWaalsContact C-N 3.27Å; W1661-I1663 PolarHBondContact O-N 2.62Å; I1663-L1665 VanDerWaalsContact C-N 3.31Å; I1663-L1665 PolarHBondContact O-N 2.87Å; I1663-L1666 PolarHBondContact O-N 3.35Å; I1663-F1667 HydrophobicContact CG2-CD2 4.42Å; I1663-F1667 HydrophobicContact CG2-CE2 4.09Å; I1663-F1667 WeakPolarHBondContact O-CD2 3.39Å
1664L91.5Very high88.8Confident87 Ų8753.8 Ų53.846%0.45527%0.268SS..Hα-helixtrans-62.3-39.4178.2-154.883.4000112I1660 W1661 L1666 F1667 I1668I1660-L1664 PolarHBondContact O-N 2.9Å; W1661-L1664 HydrophobicContact CE3-CB 4.4Å; W1661-L1664 HydrophobicContact CE3-CD2 3.72Å; W1661-L1664 HydrophobicContact CH2-CD2 4.06Å; W1661-L1664 HydrophobicContact CZ3-CD2 3.38Å; W1661-L1664 PolarHBondContact O-N 2.99Å; L1664-L1666 VanDerWaalsContact C-N 3.33Å; L1664-L1666 PolarHBondContact O-N 2.83Å; L1664-F1667 PolarHBondContact O-N 2.63Å; L1664-F1667 VanDerWaalsContact O-N 3.15Å; L1664-I1668 HydrophobicContact CD2-CD1 3.93Å; L1664-I1668 HydrophobicContact CG-CD1 4.1Å; L1664-I1668 WeakPolarHBondContact O-CG1 3.4Å; L1664-I1668 PolarHBondContact O-N 2.98Å
1665L91.4Very high89Confident1 Ų160.9 Ų60.91%0.00529%0.293CS..Hα-helixtrans-63.8-33.8179.5-176.660000112.5S1508 Y1590 I1593 I1594 W1661 I1663 N1669S1508-L1665 VanDerWaalsContact OG-CD1 3.32Å; S1508-L1665 WeakPolarHBondContact OG-CD1 3.11Å; S1508-L1665 WeakPolarHBondContact OG-CD2 3.3Å; Y1590-L1665 HydrophobicContact CD1-CD2 4.1Å; Y1590-L1665 HydrophobicContact CG-CD2 4.17Å; I1593-L1665 HydrophobicContact CB-CD2 4.2Å; I1593-L1665 HydrophobicContact CG2-CB 4.13Å; I1593-L1665 HydrophobicContact CG2-CD2 3.82Å; I1593-L1665 HydrophobicContact CG2-CG 3.74Å; I1594-L1665 HydrophobicContact CG1-CD2 4.24Å; W1661-L1665 WeakPolarHBondContact O-CB 3.46Å; W1661-L1665 PolarHBondContact O-N 2.78Å; I1663-L1665 VanDerWaalsContact C-N 3.31Å; I1663-L1665 PolarHBondContact O-N 2.87Å; L1665-N1669 VanDerWaalsContact O-CB 3.25Å; L1665-N1669 WeakPolarHBondContact O-CB 3.24Å; L1665-N1669 VanDerWaalsContact O-CG 3.26Å; L1665-N1669 PolarHBondContact O-N 2.9Å; L1665-N1669 PolarHBondContact O-ND2 2.82Å
1666L89.2Confident89.1Confident60 Ų6061.6 Ų61.631%0.31430%0.295SS..Hα-helixtrans-61.6-45.9171.1-76.4165.4000111.6I1593 C1662 I1663 L1664 N1669 D1670I1593-L1666 HydrophobicContact CG2-CD2 3.8Å; I1593-L1666 HydrophobicContact CG2-CG 3.8Å; C1662-L1666 PolarHBondContact O-N 3.06Å; I1663-L1666 PolarHBondContact O-N 3.35Å; L1664-L1666 VanDerWaalsContact C-N 3.33Å; L1664-L1666 PolarHBondContact O-N 2.83Å; L1666-N1669 PolarHBondContact O-N 3.22Å; L1666-D1670 PolarHBondContact O-N 2.76Å
1667F90.3Very high88.9Confident120 Ų12063.3 Ų63.353%0.52629%0.294SS..Hα-helixtrans-66.8-41.9177.2-74.1-75000112.6W1606 I1663 L1664 N1669 D1670 L1671W1606-F1667 HydrophobicContact CZ2-CE1 4.1Å; W1606-F1667 HydrophobicContact CZ2-CZ 4.4Å; I1663-F1667 HydrophobicContact CG2-CD2 4.42Å; I1663-F1667 HydrophobicContact CG2-CE2 4.09Å; I1663-F1667 WeakPolarHBondContact O-CD2 3.39Å; L1664-F1667 PolarHBondContact O-N 2.63Å; L1664-F1667 VanDerWaalsContact O-N 3.15Å; F1667-N1669 VanDerWaalsContact C-N 3.33Å; F1667-N1669 PolarHBondContact O-N 3.05Å; F1667-D1670 PolarHBondContact O-N 2.92Å; F1667-L1671 WeakPolarHBondContact O-CB 3.25Å; F1667-L1671 PolarHBondContact O-N 3.22Å
1668I90.5Very high88.7Confident50 Ų5065.6 Ų65.626%0.25630%0.3SS..Hα-helixtrans-60.1-44.9175-70.6166.9000110.2W1661 L1664 L1671 I1672W1661-I1668 HydrophobicContact CH2-CD1 3.9Å; W1661-I1668 HydrophobicContact CZ2-CD1 4.09Å; L1664-I1668 HydrophobicContact CD2-CD1 3.93Å; L1664-I1668 HydrophobicContact CG-CD1 4.1Å; L1664-I1668 WeakPolarHBondContact O-CG1 3.4Å; L1664-I1668 PolarHBondContact O-N 2.98Å; I1668-L1671 PolarHBondContact O-N 3.12Å; I1668-I1672 HydrophobicContact CG2-CD1 3.64Å; I1668-I1672 HydrophobicContact CG2-CG1 4.34Å; I1668-I1672 VanDerWaalsContact O-CG1 3.28Å; I1668-I1672 WeakPolarHBondContact O-CG1 3.15Å; I1668-I1672 PolarHBondContact O-N 3.15Å
1669N89.5Confident88.6Confident4 Ų466.9 Ų66.92%0.02131%0.31CS..Hα-helixtrans-66.5-39.1178.9-78.2-29.2000113.3L1665 L1666 F1667 S1673L1665-N1669 VanDerWaalsContact O-CB 3.25Å; L1665-N1669 WeakPolarHBondContact O-CB 3.24Å; L1665-N1669 VanDerWaalsContact O-CG 3.26Å; L1665-N1669 PolarHBondContact O-N 2.9Å; L1665-N1669 PolarHBondContact O-ND2 2.82Å; L1666-N1669 PolarHBondContact O-N 3.22Å; F1667-N1669 VanDerWaalsContact C-N 3.33Å; F1667-N1669 PolarHBondContact O-N 3.05Å; N1669-S1673 VanDerWaalsContact O-CB 3.25Å; N1669-S1673 WeakPolarHBondContact O-CB 3.29Å; N1669-S1673 PolarHBondContact O-N 2.87Å; N1669-S1673 PolarHBondContact O-OG 3.2Å
1670D89.4Confident88.1Confident31 Ų3164.9 Ų64.917%0.16630%0.303CS..Hα-helixtrans-66.1-38.1173.4-162.370.8000111.1R1604 V1605 L1666 F1667 S1673 W1674R1604-D1670 VanDerWaalsContact CA-OD1 3.29Å; R1604-D1670 WeakPolarHBondContact CA-OD1 3.49Å; V1605-D1670 HydrophobicContact CG2-CB 4.03Å; V1605-D1670 PolarHBondContact N-OD1 2.76Å; V1605-D1670 VanDerWaalsContact N-OD1 3.17Å; L1666-D1670 PolarHBondContact O-N 2.76Å; F1667-D1670 PolarHBondContact O-N 2.92Å; D1670-S1673 PolarHBondContact O-N 3.41Å; D1670-W1674 VanDerWaalsContact O-CB 3.25Å; D1670-W1674 WeakPolarHBondContact O-CB 3.44Å; D1670-W1674 PolarHBondContact O-N 3.45Å
1671L89.3Confident87.6Confident98 Ų9863.4 Ų63.451%0.51330%0.295SS..Hα-helixtrans-70.1-43.2178.7-172.9148.6000113F1667 I1668 W1674 R1675F1667-L1671 WeakPolarHBondContact O-CB 3.25Å; F1667-L1671 PolarHBondContact O-N 3.22Å; I1668-L1671 PolarHBondContact O-N 3.12Å; L1671-W1674 PolarHBondContact O-N 2.89Å; L1671-R1675 PolarHBondContact O-N 2.92Å
1672I89.9Confident87Confident22 Ų2265 Ų6511%0.11331%0.31CS..Hα-helixtrans-58.1-51.7172.1-69.8164.1000109V1500 R1504 I1668 W1674 R1675 E1676V1500-I1672 HydrophobicContact CG1-CG2 4.15Å; R1504-I1672 HydrophobicContact CG-CD1 3.96Å; R1504-I1672 HydrophobicContact CG-CG2 4.25Å; I1668-I1672 HydrophobicContact CG2-CD1 3.64Å; I1668-I1672 HydrophobicContact CG2-CG1 4.34Å; I1668-I1672 VanDerWaalsContact O-CG1 3.28Å; I1668-I1672 WeakPolarHBondContact O-CG1 3.15Å; I1668-I1672 PolarHBondContact O-N 3.15Å; I1672-W1674 VanDerWaalsContact C-N 3.3Å; I1672-W1674 PolarHBondContact O-N 3.46Å; I1672-R1675 PolarHBondContact O-N 3.34Å; I1672-R1675 VanDerWaalsContact O-N 3.16Å; I1672-E1676 WeakPolarHBondContact O-CB 3.39Å; I1672-E1676 PolarHBondContact O-N 2.9Å
1673S87.1Confident86.3Confident17 Ų1766.8 Ų66.812%0.11932%0.316CS..Hα-helixtrans-66.9-31-176.7-50.80000112.2R1504 N1669 D1670 K1677R1504-S1673 PolarHBondContact NH2-OG 2.87Å; N1669-S1673 VanDerWaalsContact O-CB 3.25Å; N1669-S1673 WeakPolarHBondContact O-CB 3.29Å; N1669-S1673 PolarHBondContact O-N 2.87Å; N1669-S1673 PolarHBondContact O-OG 3.2Å; D1670-S1673 PolarHBondContact O-N 3.41Å; S1673-K1677 VanDerWaalsContact O-CB 3.23Å; S1673-K1677 WeakPolarHBondContact O-CB 3.33Å; S1673-K1677 PolarHBondContact O-N 2.97Å
1674W85Confident85.5Confident106 Ų10663 Ų6340%0.40230%0.296SS..Hα-helixtrans-68.2-44.1170.717375.2000112.7D1670 L1671 I1672 R1678D1670-W1674 VanDerWaalsContact O-CB 3.25Å; D1670-W1674 WeakPolarHBondContact O-CB 3.44Å; D1670-W1674 PolarHBondContact O-N 3.45Å; L1671-W1674 PolarHBondContact O-N 2.89Å; I1672-W1674 VanDerWaalsContact C-N 3.3Å; I1672-W1674 PolarHBondContact O-N 3.46Å; W1674-R1678 WeakPolarHBondContact O-CB 3.35Å; W1674-R1678 PolarHBondContact O-N 3.17Å
1675R88.1Confident84.8Confident173 Ų17366.8 Ų66.865%0.65330%0.304SS*.Hα-helixtrans-64.2-42.9175.2-78.6-162.6176-148.82.5111.5L1671 I1672 R1678 A1679L1671-R1675 PolarHBondContact O-N 2.92Å; I1672-R1675 PolarHBondContact O-N 3.34Å; I1672-R1675 VanDerWaalsContact O-N 3.16Å; R1675-R1678 PolarHBondContact O-N 3.18Å; R1675-A1679 PolarHBondContact O-N 2.89Å
1676E85Confident84Confident29 Ų2971 Ų7114%0.13633%0.327CS..Hα-helixtrans-58.5-53.9175.6-167.2-170.2157.500110.8V1500 R1504 Y1601 I1672 R1678 A1679 I1680V1500-E1676 WeakPolarHBondContact CG1-OE2 3.36Å; V1500-E1676 HydrophobicContact CG2-CG 4.3Å; R1504-E1676 IonicContact CZ-OE2 2.74Å; R1504-E1676 IonicContact NH1-OE2 2.81Å; R1504-E1676 PolarHBondContact NH1-OE2 2.81Å; R1504-E1676 IonicContact NH2-OE2 3.15Å; R1504-E1676 PolarHBondContact NH2-OE2 3.49Å; Y1601-E1676 WeakPolarHBondContact CE2-OE1 3.22Å; Y1601-E1676 VanDerWaalsContact OH-CD 3.23Å; Y1601-E1676 PolarHBondContact OH-OE1 2.9Å; I1672-E1676 WeakPolarHBondContact O-CB 3.39Å; I1672-E1676 PolarHBondContact O-N 2.9Å; E1676-R1678 VanDerWaalsContact C-N 3.3Å; E1676-R1678 PolarHBondContact O-N 3.34Å; E1676-A1679 PolarHBondContact O-N 3.12Å; E1676-A1679 VanDerWaalsContact O-N 3.14Å; E1676-I1680 HydrophobicContact CG-CD1 3.98Å; E1676-I1680 WeakPolarHBondContact O-CG1 3.46Å; E1676-I1680 PolarHBondContact O-N 3.47Å
1677K81.1Confident83Confident81 Ų8169.6 Ų69.635%0.35232%0.322SS..Hα-helixtrans-59.3-37.6176.5-171.5173.9-168.9179.10112.5G1602 S1673 L1681G1602-K1677 PolarHBondContact O-NZ 2.76Å; S1673-K1677 VanDerWaalsContact O-CB 3.23Å; S1673-K1677 WeakPolarHBondContact O-CB 3.33Å; S1673-K1677 PolarHBondContact O-N 2.97Å; K1677-L1681 WeakPolarHBondContact O-CB 3.25Å; K1677-L1681 PolarHBondContact O-N 2.74Å
1678R84.6Confident82Confident159 Ų15968 Ų6860%0.631%0.312SS*.Hα-helixtrans-64.1-42.2176.8-172.9173.6179.7170.1-1.3111.6W1674 R1675 E1676 T1682W1674-R1678 WeakPolarHBondContact O-CB 3.35Å; W1674-R1678 PolarHBondContact O-N 3.17Å; R1675-R1678 PolarHBondContact O-N 3.18Å; E1676-R1678 VanDerWaalsContact C-N 3.3Å; E1676-R1678 PolarHBondContact O-N 3.34Å; R1678-T1682 PolarHBondContact O-N 2.89Å; R1678-T1682 VanDerWaalsContact O-N 3.1Å; R1678-T1682 PolarHBondContact O-OG1 3.44Å
1679A83.3Confident81Confident27 Ų2769 Ų6922%0.22332%0.318CS..Hα-helixtrans-69-41.4177.800000112.7R1675 E1676 T1682 E1683R1675-A1679 PolarHBondContact O-N 2.89Å; E1676-A1679 PolarHBondContact O-N 3.12Å; E1676-A1679 VanDerWaalsContact O-N 3.14Å; A1679-T1682 WeakPolarHBondContact CA-OG1 3.28Å; A1679-T1682 PolarHBondContact O-N 3.16Å; A1679-T1682 PolarHBondContact O-OG1 3.22Å; A1679-E1683 PolarHBondContact O-N 2.99Å; A1679-E1683 VanDerWaalsContact O-N 3.12Å
1680I78.9Confident79.9Confident37 Ų3777.4 Ų77.419%0.1935%0.35CS..Hα-helixtrans-64.1-45.4175.1-70.9170.7000110.5Y1601 E1676 T1682 E1683 H1684Y1601-I1680 WeakPolarHBondContact OH-CD1 3.44Å; E1676-I1680 HydrophobicContact CG-CD1 3.98Å; E1676-I1680 WeakPolarHBondContact O-CG1 3.46Å; E1676-I1680 PolarHBondContact O-N 3.47Å; I1680-T1682 VanDerWaalsContact C-N 3.29Å; I1680-T1682 PolarHBondContact O-N 2.84Å; I1680-E1683 WeakPolarHBondContact O-CA 3.37Å; I1680-E1683 WeakPolarHBondContact O-CB 3.35Å; I1680-E1683 PolarHBondContact O-N 2.81Å; I1680-H1684 VanDerWaalsContact CG2-CE1 3.4Å; I1680-H1684 WeakPolarHBondContact CG2-CE1 3.36Å; I1680-H1684 WeakPolarHBondContact CG2-NE2 3.49Å; I1680-H1684 VanDerWaalsContact O-CG 3.3Å; I1680-H1684 PolarHBondContact O-N 2.98Å; I1680-H1684 PolarHBondContact O-ND1 2.98Å
1681L80.8Confident78.7Confident74 Ų7478.2 Ų78.239%0.38735%0.353SS..Hα-helixtrans-66.7-27.9179-165.7148.2000112.7K1677 R1685K1677-L1681 WeakPolarHBondContact O-CB 3.25Å; K1677-L1681 PolarHBondContact O-N 2.74Å; L1681-R1685 HydrophobicContact CD2-CG 4.39Å; L1681-R1685 WeakPolarHBondContact O-CG 3.4Å; L1681-R1685 PolarHBondContact O-N 2.85Å
1682T80.4Confident77.4Confident70 Ų7078.3 Ų78.343%0.42935%0.354SS..Hα-helixtrans-69.8-38.7167.142.30000113.1R1678 A1679 I1680 H1684 R1685 L1686R1678-T1682 PolarHBondContact O-N 2.89Å; R1678-T1682 VanDerWaalsContact O-N 3.1Å; R1678-T1682 PolarHBondContact O-OG1 3.44Å; A1679-T1682 WeakPolarHBondContact CA-OG1 3.28Å; A1679-T1682 PolarHBondContact O-N 3.16Å; A1679-T1682 PolarHBondContact O-OG1 3.22Å; I1680-T1682 VanDerWaalsContact C-N 3.29Å; I1680-T1682 PolarHBondContact O-N 2.84Å; T1682-H1684 VanDerWaalsContact C-N 3.32Å; T1682-H1684 PolarHBondContact O-N 3.37Å; T1682-R1685 PolarHBondContact O-N 3.36Å; T1682-L1686 WeakPolarHBondContact O-CG 3.46Å; T1682-L1686 PolarHBondContact O-N 2.91Å
1683E77.2Confident76Confident51 Ų5180.3 Ų80.324%0.23837%0.367CS..Hα-helixtrans-62.1-40.1171.7-80.1173-137.100111.5R1493 R1496 A1679 I1680 L1686 S1687R1493-E1683 IonicContact CZ-OE2 2.7Å; R1493-E1683 IonicContact NE-OE2 3.66Å; R1493-E1683 IonicContact NH2-OE2 3.43Å; R1493-E1683 PolarHBondContact NH2-OE2 3.46Å; R1496-E1683 IonicContact CZ-OE1 3.83Å; R1496-E1683 IonicContact NH1-OE1 3.3Å; R1496-E1683 PolarHBondContact NH1-OE1 2.73Å; R1496-E1683 IonicContact NH2-OE1 3.97Å; R1496-E1683 PolarHBondContact NH2-OE1 2.74Å; A1679-E1683 PolarHBondContact O-N 2.99Å; A1679-E1683 VanDerWaalsContact O-N 3.12Å; I1680-E1683 WeakPolarHBondContact O-CA 3.37Å; I1680-E1683 WeakPolarHBondContact O-CB 3.35Å; I1680-E1683 PolarHBondContact O-N 2.81Å; E1683-L1686 PolarHBondContact O-N 2.97Å; E1683-S1687 WeakPolarHBondContact O-CB 3.26Å; E1683-S1687 PolarHBondContact O-N 2.78Å; E1683-S1687 PolarHBondContact O-OG 2.82Å
1684H73.2Confident74.4Confident25 Ų2585.9 Ų85.912%0.11639%0.389CS..Hα-helixtrans-67.6-32.4176.4-60.7-9.3000113.7E1480 P1481 I1680 T1682 S1687 R1688E1480-H1684 VanDerWaalsContact CG-NE2 3.29Å; E1480-H1684 WeakPolarHBondContact CG-NE2 3.25Å; E1480-H1684 IonicContact OE1-NE2 3.71Å; E1480-H1684 IonicContact OE2-CE1 3.17Å; E1480-H1684 IonicContact OE2-NE2 2.71Å; E1480-H1684 PolarHBondContact OE2-NE2 3.49Å; P1481-H1684 WeakPolarHBondContact CD-ND1 3.21Å; I1680-H1684 VanDerWaalsContact CG2-CE1 3.4Å; I1680-H1684 WeakPolarHBondContact CG2-CE1 3.36Å; I1680-H1684 WeakPolarHBondContact CG2-NE2 3.49Å; I1680-H1684 VanDerWaalsContact O-CG 3.3Å; I1680-H1684 PolarHBondContact O-N 2.98Å; I1680-H1684 PolarHBondContact O-ND1 2.98Å; T1682-H1684 VanDerWaalsContact C-N 3.32Å; T1682-H1684 PolarHBondContact O-N 3.37Å; H1684-S1687 VanDerWaalsContact CA-OG 3.32Å; H1684-S1687 WeakPolarHBondContact CA-OG 3.43Å; H1684-S1687 PolarHBondContact O-OG 2.98Å; H1684-R1688 VanDerWaalsContact O-CB 3.29Å; H1684-R1688 WeakPolarHBondContact O-CB 2.87Å; H1684-R1688 VanDerWaalsContact O-CG 3.23Å; H1684-R1688 WeakPolarHBondContact O-CG 3.42Å; H1684-R1688 PolarHBondContact O-N 3.03Å
1685R76Confident72.8Confident167 Ų16782.9 Ų82.963%0.6338%0.381SS*.Hα-helixtrans-67.7-47.6172.2-77176.5179.9-164.2-0.6110.9L1681 T1682 R1688 L1689L1681-R1685 HydrophobicContact CD2-CG 4.39Å; L1681-R1685 WeakPolarHBondContact O-CG 3.4Å; L1681-R1685 PolarHBondContact O-N 2.85Å; T1682-R1685 PolarHBondContact O-N 3.36Å; R1685-R1688 PolarHBondContact O-N 2.87Å; R1685-L1689 WeakPolarHBondContact O-CG 3.49Å; R1685-L1689 PolarHBondContact O-N 3.02Å
1686L74.7Confident70.4Confident91 Ų9177.4 Ų77.448%0.47638%0.378SS..Hα-helixtrans-61.5-44.7177.3-69.5168.4000111.7T1682 E1683 R1688 L1689 Y1690T1682-L1686 WeakPolarHBondContact O-CG 3.46Å; T1682-L1686 PolarHBondContact O-N 2.91Å; E1683-L1686 PolarHBondContact O-N 2.97Å; L1686-R1688 VanDerWaalsContact C-N 3.32Å; L1686-R1688 PolarHBondContact O-N 3.24Å; L1686-L1689 WeakPolarHBondContact O-CB 3.44Å; L1686-L1689 PolarHBondContact O-N 3.49Å; L1686-Y1690 WeakPolarHBondContact O-CD2 3.37Å; L1686-Y1690 PolarHBondContact O-N 2.91Å
1687S68.7Low68.1Low30 Ų3084.6 Ų84.621%0.2141%0.414CS..Hα-helixtrans-65-34.1176.164.90000113.1P1481 E1683 H1684 Y1690 F1691P1481-S1687 WeakPolarHBondContact CB-OG 3.08Å; P1481-S1687 WeakPolarHBondContact CG-OG 3.25Å; E1683-S1687 WeakPolarHBondContact O-CB 3.26Å; E1683-S1687 PolarHBondContact O-N 2.78Å; E1683-S1687 PolarHBondContact O-OG 2.82Å; H1684-S1687 VanDerWaalsContact CA-OG 3.32Å; H1684-S1687 WeakPolarHBondContact CA-OG 3.43Å; H1684-S1687 PolarHBondContact O-OG 2.98Å; S1687-Y1690 CarbonylContact O-C 3.55Å; S1687-Y1690 PolarHBondContact O-N 3.28Å; S1687-F1691 WeakPolarHBondContact O-CB 3.47Å; S1687-F1691 PolarHBondContact O-N 3.04Å
1688R69.4Low65.8Low87 Ų8791.9 Ų91.933%0.32844%0.44SS..Hα-helixtrans-70.9-31.9174.6-78.5177114.7-126.12.1112.2Q978 C980 H1684 R1685 L1686 F1691 N1692Q978-R1688 PolarHBondContact O-NH2 2.93Å; C980-R1688 WeakPolarHBondContact SG-CG 3.32Å; H1684-R1688 VanDerWaalsContact O-CB 3.29Å; H1684-R1688 WeakPolarHBondContact O-CB 2.87Å; H1684-R1688 VanDerWaalsContact O-CG 3.23Å; H1684-R1688 WeakPolarHBondContact O-CG 3.42Å; H1684-R1688 PolarHBondContact O-N 3.03Å; R1685-R1688 PolarHBondContact O-N 2.87Å; L1686-R1688 VanDerWaalsContact C-N 3.32Å; L1686-R1688 PolarHBondContact O-N 3.24Å; R1688-F1691 PolarHBondContact O-N 3.2Å; R1688-N1692 WeakPolarHBondContact O-CB 3.38Å; R1688-N1692 PolarHBondContact O-N 3.34Å; R1688-N1692 PolarHBondContact O-ND2 3.48Å; R1688-N1692 PolarHBondContact O-OD1 3.12Å
1689L69.5Low63Low71 Ų7188.7 Ų88.737%0.37244%0.443SS..Hα-helixtrans-64-51.4168.4-68.7160.9000110.1R1685 L1686 F1691 N1692 T1693 V1701R1685-L1689 WeakPolarHBondContact O-CG 3.49Å; R1685-L1689 PolarHBondContact O-N 3.02Å; L1686-L1689 WeakPolarHBondContact O-CB 3.44Å; L1686-L1689 PolarHBondContact O-N 3.49Å; L1689-F1691 PolarHBondContact O-N 2.77Å; L1689-F1691 VanDerWaalsContact O-N 3.16Å; L1689-N1692 CarbonylContact O-C 3.58Å; L1689-N1692 PolarHBondContact O-N 3.06Å; L1689-N1692 VanDerWaalsContact O-N 3.09Å; L1689-T1693 WeakPolarHBondContact O-CG2 3.38Å; L1689-T1693 PolarHBondContact O-N 3.13Å; L1689-T1693 PolarHBondContact O-OG1 2.9Å; L1689-V1701 HydrophobicContact CD1-CG1 3.72Å; L1689-V1701 HydrophobicContact CD1-CG2 4.05Å; L1689-V1701 HydrophobicContact CD2-CG2 4.48Å
1690Y66.6Low60.4Low179 Ų17992.9 Ų92.970%0.70247%0.468SS*.Hα-helixtrans-63.9-14.6174.7-75.2-65.8000115.7L1686 S1687 T1693L1686-Y1690 WeakPolarHBondContact O-CD2 3.37Å; L1686-Y1690 PolarHBondContact O-N 2.91Å; S1687-Y1690 CarbonylContact O-C 3.55Å; S1687-Y1690 PolarHBondContact O-N 3.28Å; Y1690-T1693 PolarHBondContact O-OG1 3.07Å
1691F63.8Low58Low49 Ų4999 Ų9922%0.21551%0.506CS..Hα-helixtrans-92.9-30.6172.7-172.9-87.9000111.7C980 R982 S1687 R1688 L1689C980-F1691 HydrophobicContact CB-CD1 4.49Å; C980-F1691 HydrophobicContact CB-CD2 4.13Å; C980-F1691 HydrophobicContact CB-CE2 4.35Å; C980-F1691 HydrophobicContact CB-CG 4.2Å; C980-F1691 WeakPolarHBondContact O-CE2 3.45Å; R982-F1691 HydrophobicContact CB-CE2 4.34Å; R982-F1691 HydrophobicContact CB-CZ 4.43Å; S1687-F1691 WeakPolarHBondContact O-CB 3.47Å; S1687-F1691 PolarHBondContact O-N 3.04Å; R1688-F1691 PolarHBondContact O-N 3.2Å; L1689-F1691 PolarHBondContact O-N 2.77Å; L1689-F1691 VanDerWaalsContact O-N 3.16Å
1692N62.7Low56.8Low100 Ų100100.3 Ų100.354%0.53551%0.512SS..Hα-helixtrans-92.1-4.8179.6-67-3000113.5R1688 L1689 K1694R1688-N1692 WeakPolarHBondContact O-CB 3.38Å; R1688-N1692 PolarHBondContact O-N 3.34Å; R1688-N1692 PolarHBondContact O-ND2 3.48Å; R1688-N1692 PolarHBondContact O-OD1 3.12Å; L1689-N1692 CarbonylContact O-C 3.58Å; L1689-N1692 PolarHBondContact O-N 3.06Å; L1689-N1692 VanDerWaalsContact O-N 3.09Å; N1692-K1694 VanDerWaalsContact C-N 3.33Å; N1692-K1694 PolarHBondContact O-N 3.09Å
1693T59.8Low55.6Low64 Ų64101.8 Ų101.839%0.39352%0.516SS..  trans-64.693.6167.938.80000109L1689 Y1690L1689-T1693 WeakPolarHBondContact O-CG2 3.38Å; L1689-T1693 PolarHBondContact O-N 3.13Å; L1689-T1693 PolarHBondContact O-OG1 2.9Å; Y1690-T1693 PolarHBondContact O-OG1 3.07Å
1694K52.9Low54.4Low134 Ų134104.7 Ų104.758%0.58353%0.532SS*.  trans-63.4161.3178.3-53.9-165.9-179-145.60111.1E1004 N1692 G1696E1004-K1694 WeakPolarHBondContact OE1-CE 3.11Å; E1004-K1694 IonicContact OE1-NZ 2.73Å; E1004-K1694 PolarHBondContact OE1-NZ 3.21Å; E1004-K1694 WeakPolarHBondContact OE2-CD 3.24Å; E1004-K1694 IonicContact OE2-NZ 3.53Å; N1692-K1694 VanDerWaalsContact C-N 3.33Å; N1692-K1694 PolarHBondContact O-N 3.09Å; K1694-G1696 VanDerWaalsContact C-N 3.26Å; K1694-G1696 PolarHBondContact O-N 3.36Å
1695L51.1Low53.3Low43 Ų43109.4 Ų109.423%0.22556%0.556CS.*SBendtrans-71.380.7177.8-78.168.9000110.5N1008 L1191 V1208 Q1211 V1212N1008-L1695 WeakPolarHBondContact O-CD2 3.25Å; L1191-L1695 HydrophobicContact CD1-CD2 4.07Å; L1191-L1695 HydrophobicContact CD2-CD2 4.38Å; V1208-L1695 HydrophobicContact CG1-CD1 4.14Å; V1208-L1695 HydrophobicContact CG1-CD2 3.31Å; V1208-L1695 HydrophobicContact CG1-CG 3.43Å; V1208-L1695 VanDerWaalsContact CG1-CG 3.43Å; Q1211-L1695 HydrophobicContact CB-CD1 4.32Å; V1212-L1695 HydrophobicContact CG2-CD2 3.91Å
1696G39.6Very low51.9Low57 Ų57105.8 Ų105.859%0.58855%0.552SS**SBendtrans137.1131.2178.600000112.8K1694K1694-G1696 VanDerWaalsContact C-N 3.26Å; K1694-G1696 PolarHBondContact O-N 3.36Å
1697M36.7Very low50.3Low181 Ų181106.7 Ų106.789%0.89256%0.557SS**SBendtrans66.1136.7-179-70.9171.456.500117.3S1699M1697-S1699 PolarHBondContact O-N 3.37Å; M1697-S1699 VanDerWaalsContact O-N 3.08Å
1698Y31.4Very low49Very low233 Ų233112.2 Ų112.291%0.91458%0.582SS**  trans-64.3101.9163.7-62.1-96.5000109.5P1700Y1698-P1700 VanDerWaalsContact O-CD 3.31Å; Y1698-P1700 WeakPolarHBondContact O-CD 3.36Å
1699S25.7Very low47.5Very low93 Ų93114.2 Ų114.265%0.6560%0.601SS**  trans-77112.8156.1-176.40000107.3M1697M1697-S1699 PolarHBondContact O-N 3.37Å; M1697-S1699 VanDerWaalsContact O-N 3.08Å
1700P28.4Very low45.6Very low115 Ų115117.8 Ų117.875%0.74762%0.62SS**  trans-64.1153.5177.227.7-34.1000111.1Y1698Y1698-P1700 VanDerWaalsContact O-CD 3.31Å; Y1698-P1700 WeakPolarHBondContact O-CD 3.36Å
1701V28.8Very low43.7Very low165 Ų165112.2 Ų112.2100%161%0.613SS**  trans-93.70177.5175.40000110.3L1689L1689-V1701 HydrophobicContact CD1-CG1 3.72Å; L1689-V1701 HydrophobicContact CD1-CG2 4.05Å; L1689-V1701 HydrophobicContact CD2-CG2 4.48Å

Retrieved 1,701 of 1,701 residues in 2531 ms (Link to these results)

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