A0A077Z7D5_TRITR Loading...

Endoribonuclease Dicer

AlphaFold DB , UniProt , Accession A0A077Z7D5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,562 aa.

>A0A077Z7D5_TRITR|A0A077Z7D5
MLERAINRNIIVPLGTGTGKTYIAVMLLKEMAADTKLPLSEGGKRSVFLVDKVFMFRVLVMTAQILMNMIVHGYISIDLLNVIIFDECHHATKNHPYRQIMSRYKECAGKRPRVLGLTASVVNSHVTGIELKLQMGMLESVMCSSIETTIELESYAKVATKPQIKVRVCKDDTAASWMDVSLRIAAYMKAVETLCKTGDVDSQYSFVESKSFVLEMLSKGRTSLSKIGLWSASRTFLRQELLLKAKLESGILPPRGNFETERLFLKAALCCLQAAIACLKPLVDCVKSVDQLESLVVPRVAELLKCLREYNANASTGDKDAPFCGIIFVTQRYVAYQLKVLLEEVVRLDARTYGFLKVGFIVGQSQQRTVQTGIAAEQCRRQEETLNKFRNKELNLLVATSILEEGIDVPQCNVVIRYDLPASFSSFVQSKGRARMRDAQYIVIIQNSASDNFCKTLKSYVEMEEELIRHQSEATEAWELAYENSTVDSLLPAYYGPPVDGLNGVQQQSVVTLSTSLYVLNRYCMSLPSDRYTVSSAKFEISSFNDSSGFQQYTATLMLPLNCPLKKKITGPPMSNQKLAKMAAALLACKILHKHGELSDHMLPASKYTEAVAGDESREDDDEEFVEFVERKQSSGRYRRELFKKKVPACLSNRLNAGVPLFLCQIQISVAISLLDSPFDELSFDTGTGETFGLLSREPLPQTPKFEIFASEEQVYVKCVSLPQPVLLADDKLALLLEVHRYMFLDLLKFNSPTVTFDFDHSEVPFYVVPLITEPAKGCVIDWALVDKLLWQMRRQNKRPTDEERKNFVYDKTRYVNSIILPWYHKHKDIDNFVRVVAVRKDMNPLSPCDFGGFASFAEYYEKSHNLKIFNLEQPLLCGDYVRPRYSMIHRRVKGDSREAVMIRSDPIAHAYAGSMFVPELVLRCLAVADELRTTIRKEAFSPEDVQSGDDEEAQPIDSHWCRTNGYATRNKRKSVPNESCDGGEPDVGLLVQFEGMNEGYFENVCKSEKANAATPTATEVNSSSATASSCKEFDEEELFFHQSIMPTDSTIQNVRNKRVVLNDDAVDVVDAFFVRKEDFNLVPRSLESAKGEQLTNGGIAEAAVADSSSDVVASFFKQFTTRYRLQPGLREILLALTCPSANDLFDMENAETLGDSFLKYAVAVCMFKKHADKQPGQLSDLRRNEISNANLCKLGKRIGLCGMIIVQEFKPTVNWLPPCFVASELEDDTGLDDDSADVDKNLNLIERHVVSDKRVADCVEALIGVYVRSCGHAVALQFMEWLGLSVICKAEMSEPAVTSAVALEETWKRLQLEKFEHVLRYEFKHRAYLVQALTHSSYCRPAVFENYERMEFLGDAILDYLVTHFIYERELYKSPGLLSDIRSALVNNMNFASIAVKHGYHKYLMASNPALYNAVGNFVKVLIELNKDVNFNTELFILGDVNNPEIDVEEYEVPKVLGDIFESVAGAIYLDSGCSLEVVWQTYYPMMKAQIGNCNLSCYDKSINKTRVKVTVKGGHEFSGMGKSRWLAKNTAAKRALHYLKQQMDSQNVAAIDHSQTSLIQ
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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
1M71.8Confident80.6Confident53 Ų5349.3 Ų49.326%0.26123%0.227SC..  0-67.20-65.7-44.5173.100113.1E3 R4 A5 V12 I23 E147 T148 T149M1-E3 VanDerWaalsContact C-N 3.3Å; M1-E3 PolarHBondContact O-N 2.99Å; M1-E3 VanDerWaalsContact O-N 3.12Å; M1-R4 WeakPolarHBondContact O-CA 3.37Å; M1-R4 WeakPolarHBondContact O-CB 3.24Å; M1-R4 PolarHBondContact O-N 3.25Å; M1-A5 PolarHBondContact O-N 2.61Å; M1-V12 HydrophobicContact CG-CG1 4.34Å; M1-I23 HydrophobicContact CB-CD1 4.04Å; M1-E147 HydrophobicContact CE-CB 3.85Å; M1-E147 WeakPolarHBondContact CE-O 3.3Å; M1-E147 HydrophobicContact SD-CB 3.72Å; M1-T148 VanDerWaalsContact CE-C 3.44Å; M1-T148 WeakPolarHBondContact CE-O 3.39Å; M1-T149 HydrophobicContact CE-CG2 4.28Å
2L74.9Confident80.7Confident31 Ų3145.2 Ų45.216%0.16221%0.208CC..Hα-helixtrans-44.8-48.3-175.6-179.660.5000114.3R4 A5 I6 M26 L27L2-R4 PolarHBondContact O-N 3.21Å; L2-A5 WeakPolarHBondContact O-CB 3.39Å; L2-A5 PolarHBondContact O-N 3.21Å; L2-A5 VanDerWaalsContact O-N 3.11Å; L2-I6 HydrophobicContact CD1-CD1 3.97Å; L2-I6 HydrophobicContact CD1-CG1 4.28Å; L2-I6 HydrophobicContact CG-CD1 3.82Å; L2-I6 WeakPolarHBondContact O-CG1 3.47Å; L2-I6 PolarHBondContact O-N 3.35Å; L2-M26 HydrophobicContact CD1-CB 3.93Å; L2-M26 HydrophobicContact CD2-CB 3.77Å; L2-M26 HydrophobicContact CD2-CE 4.47Å; L2-M26 HydrophobicContact CG-CB 4.5Å; L2-L27 HydrophobicContact CD1-CB 4.12Å
3E71.4Confident80.3Confident100 Ų10043.1 Ų43.147%0.46720%0.201SC..Hα-helixtrans-61.5-38.4177.7-62.7172.7155.400113.9M1 N7M1-E3 VanDerWaalsContact C-N 3.3Å; M1-E3 PolarHBondContact O-N 2.99Å; M1-E3 VanDerWaalsContact O-N 3.12Å; E3-N7 PolarHBondContact O-N 2.93Å
4R76.6Confident79.3Confident83 Ų8341.4 Ų41.431%0.31319%0.194SC..Hα-helixtrans-65.5-40.7173.9-59.7-169.1-169.9166.55.2109.9M1 L2 N7 R8 I10 E147 E153M1-R4 WeakPolarHBondContact O-CA 3.37Å; M1-R4 WeakPolarHBondContact O-CB 3.24Å; M1-R4 PolarHBondContact O-N 3.25Å; L2-R4 PolarHBondContact O-N 3.21Å; R4-N7 PolarHBondContact O-N 2.87Å; R4-R8 WeakPolarHBondContact O-CG 3.19Å; R4-R8 PolarHBondContact O-N 3.03Å; R4-R8 VanDerWaalsContact O-O 3.1Å; R4-I10 HydrophobicContact CB-CD1 4.42Å; R4-I10 HydrophobicContact CB-CG2 4.37Å; R4-E147 WeakPolarHBondContact CD-OE2 3.34Å; R4-E147 IonicContact CZ-OE2 2.65Å; R4-E147 IonicContact NE-OE2 3.91Å; R4-E147 IonicContact NH1-OE2 3.86Å; R4-E147 PolarHBondContact NH1-OE2 3.02Å; R4-E153 IonicContact CZ-OE1 3.65Å; R4-E153 IonicContact NH1-OE1 3.65Å; R4-E153 IonicContact NH2-OE1 3.86Å; R4-E153 PolarHBondContact NH2-OE1 2.95Å; R4-E153 IonicContact NH2-OE2 3.52Å
5A82.5Confident77.8Confident2 Ų239 Ų392%0.01719%0.185CC..Hα-helixtrans-69.4-30.2179.500000114.7M1 L2 R8 I10 L27 R113 L115M1-A5 PolarHBondContact O-N 2.61Å; L2-A5 WeakPolarHBondContact O-CB 3.39Å; L2-A5 PolarHBondContact O-N 3.21Å; L2-A5 VanDerWaalsContact O-N 3.11Å; A5-R8 CarbonylContact C-O 3.55Å; A5-R8 WeakPolarHBondContact CA-O 3.42Å; A5-I10 HydrophobicContact CB-CD1 3.65Å; A5-I10 HydrophobicContact CB-CG1 3.86Å; A5-L27 HydrophobicContact CB-CD1 4.39Å; A5-L27 HydrophobicContact CB-CD2 4.32Å; A5-R113 VanDerWaalsContact O-CD 3.3Å; A5-R113 WeakPolarHBondContact O-CD 3.43Å; A5-L115 HydrophobicContact CB-CD1 4.41Å
6I80Confident76.4Confident22 Ų2242.4 Ų42.411%0.11321%0.209CC..Hα-helixtrans-70.1-37.3175.2-69.5159.5000110.3L2 L27 E30 R113L2-I6 HydrophobicContact CD1-CD1 3.97Å; L2-I6 HydrophobicContact CD1-CG1 4.28Å; L2-I6 HydrophobicContact CG-CD1 3.82Å; L2-I6 WeakPolarHBondContact O-CG1 3.47Å; L2-I6 PolarHBondContact O-N 3.35Å; I6-L27 HydrophobicContact CB-CD1 4.45Å; I6-L27 HydrophobicContact CG1-CD1 3.64Å; I6-E30 HydrophobicContact CD1-CB 4.33Å; I6-E30 HydrophobicContact CD1-CG 3.91Å; I6-E30 HydrophobicContact CG1-CG 4.39Å; I6-R113 PolarHBondContact O-NE 2.99Å; I6-R113 PolarHBondContact O-NH2 3.12Å
7N79Confident74.9Confident115 Ų11544.2 Ų44.262%0.61524%0.242SC*.Hα-helixtrans-89.8-43.6-173.6-66.6-7.5000113.1E3 R4 R113E3-N7 PolarHBondContact O-N 2.93Å; R4-N7 PolarHBondContact O-N 2.87Å; N7-R113 PolarHBondContact O-NH1 3.42Å; N7-R113 PolarHBondContact O-NH2 3.35Å
8R84.9Confident74Confident111 Ų11144 Ų4442%0.41924%0.242SC..SBendtrans-128.4161179.466.9173.2178.7-147.74.9112.4R4 A5 I10 S145 E147R4-R8 WeakPolarHBondContact O-CG 3.19Å; R4-R8 PolarHBondContact O-N 3.03Å; R4-R8 VanDerWaalsContact O-O 3.1Å; A5-R8 CarbonylContact C-O 3.55Å; A5-R8 WeakPolarHBondContact CA-O 3.42Å; R8-I10 HydrophobicContact CG-CG2 3.75Å; R8-S145 PolarHBondContact NE-OG 3Å; R8-E147 IonicContact CZ-OE1 2.77Å; R8-E147 IonicContact NE-OE1 2.74Å; R8-E147 PolarHBondContact NE-OE1 3.34Å; R8-E147 VanDerWaalsContact NH2-CD 3.29Å; R8-E147 IonicContact NH2-OE1 2.64Å; R8-E147 PolarHBondContact NH2-OE1 3.23Å; R8-E147 IonicContact NH2-OE2 2.73Å; R8-E147 PolarHBondContact NH2-OE2 3.41Å
9N89.5Confident73.4Confident25 Ų2542.4 Ų42.413%0.13424%0.236CC..  trans-71.4131.8171-70.3-2.5000109.5Y104 R113 V114 C143 S144 S145N9-Y104 PolarHBondContact ND2-OH 2.82Å; N9-R113 WeakPolarHBondContact OD1-CD 3.48Å; N9-V114 VanDerWaalsContact CA-O 3.29Å; N9-V114 WeakPolarHBondContact CA-O 3.48Å; N9-V114 HydrophobicContact CB-CB 4.21Å; N9-V114 PolarHBondContact OD1-N 2.93Å; N9-C143 WeakPolarHBondContact CB-O 3.29Å; N9-C143 PolarHBondContact ND2-O 3.44Å; N9-S144 WeakPolarHBondContact O-CA 3.25Å; N9-S145 PolarHBondContact O-N 3.18Å
10I88.8Confident73.4Confident0 Ų041.3 Ų41.30%023%0.229CC..EExtended strand (participates in β ladder)trans-138.2155.3-177.170.8169.3000113.2R4 A5 R8 V12 V114 L115 G116 S145 E147R4-I10 HydrophobicContact CB-CD1 4.42Å; R4-I10 HydrophobicContact CB-CG2 4.37Å; A5-I10 HydrophobicContact CB-CD1 3.65Å; A5-I10 HydrophobicContact CB-CG1 3.86Å; R8-I10 HydrophobicContact CG-CG2 3.75Å; I10-V12 HydrophobicContact CD1-CG2 3.47Å; I10-V12 VanDerWaalsContact CD1-CG2 3.47Å; I10-V12 HydrophobicContact CG1-CG2 3.9Å; I10-V114 PolarHBondContact N-O 3.11Å; I10-L115 HydrophobicContact CD1-CD1 4.33Å; I10-L115 HydrophobicContact CG1-CD1 3.73Å; I10-L115 WeakPolarHBondContact O-CA 3.32Å; I10-G116 PolarHBondContact O-N 2.88Å; I10-S145 CarbonylContact C-O 3.59Å; I10-S145 VanDerWaalsContact CA-O 3.28Å; I10-S145 WeakPolarHBondContact CA-O 3.17Å; I10-E147 HydrophobicContact CB-CG 3.61Å; I10-E147 HydrophobicContact CD1-CB 4.5Å; I10-E147 HydrophobicContact CD1-CG 4.05Å; I10-E147 HydrophobicContact CG1-CG 4.42Å; I10-E147 HydrophobicContact CG2-CG 3.58Å
11I87.4Confident73.4Confident0 Ų041.5 Ų41.50%023%0.232CC..EExtended strand (participates in β ladder)trans-109.9127.2165.8-66.3150.1000107.6P13 G116 T118 L138 M142 S145 I146 E147I11-P13 WeakPolarHBondContact O-CD 3.41Å; I11-G116 CarbonylContact C-O 3.59Å; I11-G116 WeakPolarHBondContact CA-O 3.35Å; I11-T118 HydrophobicContact CG2-CG2 4.27Å; I11-L138 HydrophobicContact CD1-CD2 4.12Å; I11-L138 HydrophobicContact CD1-CG 3.86Å; I11-L138 HydrophobicContact CG2-CD2 4.4Å; I11-M142 HydrophobicContact CD1-CB 4.06Å; I11-M142 HydrophobicContact CD1-CG 4.22Å; I11-S145 PolarHBondContact N-O 2.68Å; I11-I146 HydrophobicContact CB-CG1 4Å; I11-I146 HydrophobicContact CD1-CG1 3.89Å; I11-I146 HydrophobicContact CG2-CG1 4.15Å; I11-E147 PolarHBondContact O-N 3Å
12V81.4Confident73.4Confident0 Ų040 Ų400%022%0.223CC..EExtended strand (participates in β ladder)trans-11192.8-178.3-1750000109.5M1 I10 L14 I23 L115 G116 L117 T118M1-V12 HydrophobicContact CG-CG1 4.34Å; I10-V12 HydrophobicContact CD1-CG2 3.47Å; I10-V12 VanDerWaalsContact CD1-CG2 3.47Å; I10-V12 HydrophobicContact CG1-CG2 3.9Å; V12-L14 HydrophobicContact CG1-CB 4.26Å; V12-L14 HydrophobicContact CG1-CD1 3.55Å; V12-L14 HydrophobicContact CG1-CG 3.71Å; V12-L14 PolarHBondContact O-N 2.99Å; V12-I23 HydrophobicContact CG1-CD1 4.26Å; V12-L115 HydrophobicContact CG2-CD1 3.91Å; V12-G116 PolarHBondContact N-O 2.8Å; V12-L117 HydrophobicContact CB-CD2 4.24Å; V12-T118 PolarHBondContact O-N 2.77Å
13P75.4Confident73.6Confident18 Ų1839.7 Ų39.712%0.11722%0.221CC..EExtended strand (participates in β ladder)trans-69.5116166.929.6-33.8000109.5I11 T118 V121 I146 T148I11-P13 WeakPolarHBondContact O-CD 3.41Å; P13-T118 WeakPolarHBondContact CA-O 3.35Å; P13-T118 HydrophobicContact CB-CG2 4.09Å; P13-V121 HydrophobicContact CB-CG2 4.1Å; P13-V121 HydrophobicContact CG-CG2 4.41Å; P13-I146 HydrophobicContact CG-CG2 3.99Å; P13-T148 HydrophobicContact CG-CG2 3.7Å
14L67.2Low74.1Confident19 Ų1934.9 Ų34.910%0.09920%0.199CC..  trans-149.1143.6-175-100.7-175.7000110.5V12 T18 K20 I23 T118 A119 T149V12-L14 HydrophobicContact CG1-CB 4.26Å; V12-L14 HydrophobicContact CG1-CD1 3.55Å; V12-L14 HydrophobicContact CG1-CG 3.71Å; V12-L14 PolarHBondContact O-N 2.99Å; L14-T18 WeakPolarHBondContact CB-OG1 3.38Å; L14-T18 WeakPolarHBondContact CD2-OG1 3.27Å; L14-K20 HydrophobicContact CB-CD 3.9Å; L14-K20 HydrophobicContact CB-CG 3.57Å; L14-K20 HydrophobicContact CD1-CG 4.29Å; L14-K20 WeakPolarHBondContact O-CD 3.21Å; L14-K20 PolarHBondContact O-NZ 3.48Å; L14-I23 HydrophobicContact CD1-CD1 3.74Å; L14-T118 PolarHBondContact N-O 2.99Å; L14-T118 VanDerWaalsContact O-O 3.14Å; L14-A119 WeakPolarHBondContact O-CA 3.25Å; L14-T149 HydrophobicContact CD2-CG2 3.39Å; L14-T149 HydrophobicContact CG-CG2 4.1Å
15G55.7Low74.2Confident6 Ų632.5 Ų32.56%0.06219%0.194CC..  trans-59174.2-179.600000114.8T18 K20 E405G15-T18 PolarHBondContact N-OG1 3.05Å; G15-T18 PolarHBondContact O-OG1 3.02Å; G15-K20 PolarHBondContact O-NZ 3.08Å; G15-E405 WeakPolarHBondContact CA-OE1 3.48Å
16T56.6Low73.9Confident93 Ų9333.5 Ų33.557%0.57120%0.198SC*.SBendtrans-70.8146.3168.4-1.40000109.8T18 E405T16-T18 PolarHBondContact O-N 3.36Å; T16-E405 WeakPolarHBondContact CA-OE2 3.24Å; T16-E405 WeakPolarHBondContact CB-OE2 3.26Å; T16-E405 VanDerWaalsContact N-CD 3.31Å; T16-E405 PolarHBondContact N-OE1 3.16Å; T16-E405 VanDerWaalsContact N-OE1 3.1Å; T16-E405 PolarHBondContact N-OE2 3.47Å; T16-E405 PolarHBondContact OG1-OE2 2.78Å
17G50.7Low74Confident74 Ų7432.4 Ų32.476%0.76319%0.193SC*.SBendtrans72.7-17.7-17700000116.8G19G17-G19 PolarHBondContact O-N 3.33Å
18T58.5Low74.1Confident40 Ų4028.1 Ų28.125%0.24517%0.169CC..SBendtrans-7628.7-173.172.70000115.3L14 G15 T16L14-T18 WeakPolarHBondContact CB-OG1 3.38Å; L14-T18 WeakPolarHBondContact CD2-OG1 3.27Å; G15-T18 PolarHBondContact N-OG1 3.05Å; G15-T18 PolarHBondContact O-OG1 3.02Å; T16-T18 PolarHBondContact O-N 3.36Å
19G63.1Low73.6Confident13 Ų1326.6 Ų26.613%0.13417%0.166CC..SBendtrans74.22717500000116.6G17 T21 Y22 I23G17-G19 PolarHBondContact O-N 3.33Å; G19-T21 PolarHBondContact O-N 2.91Å; G19-Y22 WeakPolarHBondContact O-CB 3.39Å; G19-Y22 PolarHBondContact O-N 3.38Å; G19-Y22 VanDerWaalsContact O-N 3.16Å; G19-I23 PolarHBondContact O-N 3.14Å; G19-I23 VanDerWaalsContact O-N 3.15Å
20K71.8Confident72.9Confident21 Ų2127.3 Ų27.39%0.09117%0.168CC..Hα-helixtrans-52-54.8174.5-72.7-157.1-71.9-85.40112.2L14 G15 Y22 I23 A24 L117L14-K20 HydrophobicContact CB-CD 3.9Å; L14-K20 HydrophobicContact CB-CG 3.57Å; L14-K20 HydrophobicContact CD1-CG 4.29Å; L14-K20 WeakPolarHBondContact O-CD 3.21Å; L14-K20 PolarHBondContact O-NZ 3.48Å; G15-K20 PolarHBondContact O-NZ 3.08Å; K20-Y22 VanDerWaalsContact C-N 3.27Å; K20-Y22 PolarHBondContact O-N 2.61Å; K20-I23 PolarHBondContact O-N 3.19Å; K20-A24 PolarHBondContact O-N 3.43Å; K20-L117 HydrophobicContact CB-CD1 4.3Å; K20-L117 HydrophobicContact CB-CD2 4.36Å; K20-L117 HydrophobicContact CD-CB 4.32Å
21T73.7Confident72.4Confident46 Ų4628.8 Ų28.828%0.28218%0.175SC..Hα-helixtrans-59.9-35.9177.5-38.10000112.2G19 I23 A24 V25 F48G19-T21 PolarHBondContact O-N 2.91Å; T21-I23 PolarHBondContact O-N 3.27Å; T21-A24 WeakPolarHBondContact O-CB 3.35Å; T21-A24 PolarHBondContact O-N 3.01Å; T21-V25 WeakPolarHBondContact O-CG2 3.22Å; T21-V25 PolarHBondContact O-N 2.97Å; T21-F48 HydrophobicContact CG2-CE2 4.39Å; T21-F48 HydrophobicContact CG2-CZ 4.35Å
22Y72.8Confident71.6Confident22 Ų2229.4 Ų29.49%0.08618%0.181CC..Hα-helixtrans-63.1-40.9178179-102.5000112.7G19 K20 A24 V25 M26 S1408 P1410 Y1413G19-Y22 WeakPolarHBondContact O-CB 3.39Å; G19-Y22 PolarHBondContact O-N 3.38Å; G19-Y22 VanDerWaalsContact O-N 3.16Å; K20-Y22 VanDerWaalsContact C-N 3.27Å; K20-Y22 PolarHBondContact O-N 2.61Å; Y22-A24 VanDerWaalsContact C-N 3.29Å; Y22-A24 PolarHBondContact O-N 3.24Å; Y22-V25 PolarHBondContact O-N 3.32Å; Y22-M26 HydrophobicContact CD1-CG 4.25Å; Y22-M26 HydrophobicContact CD2-CG 4.27Å; Y22-M26 HydrophobicContact CE1-CG 3.83Å; Y22-M26 HydrophobicContact CE2-CG 3.84Å; Y22-M26 HydrophobicContact CE2-SD 4.09Å; Y22-M26 HydrophobicContact CG-CG 4.46Å; Y22-M26 WeakPolarHBondContact O-CB 3.19Å; Y22-M26 WeakPolarHBondContact O-CG 3.28Å; Y22-M26 PolarHBondContact O-N 2.75Å; Y22-S1408 WeakPolarHBondContact OH-CA 3.41Å; Y22-P1410 HydrophobicContact CD1-CB 3.91Å; Y22-P1410 HydrophobicContact CD1-CG 3.67Å; Y22-P1410 HydrophobicContact CE1-CB 4.31Å; Y22-P1410 HydrophobicContact CE1-CG 3.89Å; Y22-P1410 HydrophobicContact CG-CB 4.08Å; Y22-P1410 HydrophobicContact CG-CG 4.35Å; Y22-Y1413 AromaticContact CD2-CD1 3.53Å; Y22-Y1413 HydrophobicContact CD2-CD1 3.53Å; Y22-Y1413 HydrophobicContact CD2-CD2 4.45Å; Y22-Y1413 HydrophobicContact CD2-CE1 4.12Å; Y22-Y1413 AromaticContact CD2-CG 3.71Å; Y22-Y1413 HydrophobicContact CD2-CG 3.71Å; Y22-Y1413 AromaticContact CE2-CD1 3.92Å; Y22-Y1413 HydrophobicContact CE2-CD1 3.92Å; Y22-Y1413 HydrophobicContact CE2-CD2 4.06Å; Y22-Y1413 AromaticContact CE2-CG 3.57Å; Y22-Y1413 HydrophobicContact CE2-CG 3.57Å
23I78.3Confident71Confident23 Ų2332.2 Ų32.212%0.11820%0.204CC..Hα-helixtrans-61.4-41174.7-63.3169.2000110.6M1 V12 L14 G19 K20 T21 L27 L115M1-I23 HydrophobicContact CB-CD1 4.04Å; V12-I23 HydrophobicContact CG1-CD1 4.26Å; L14-I23 HydrophobicContact CD1-CD1 3.74Å; G19-I23 PolarHBondContact O-N 3.14Å; G19-I23 VanDerWaalsContact O-N 3.15Å; K20-I23 PolarHBondContact O-N 3.19Å; T21-I23 PolarHBondContact O-N 3.27Å; I23-L27 WeakPolarHBondContact O-CB 3.2Å; I23-L27 PolarHBondContact O-N 3.2Å; I23-L115 HydrophobicContact CG2-CD2 4.45Å
24A82.8Confident70.6Confident0 Ų034.2 Ų34.20%021%0.214CC..Hα-helixtrans-65.3-46.4175.400000112.7K20 T21 Y22 M26 L27 L28 F48 I84 L115 L117K20-A24 PolarHBondContact O-N 3.43Å; T21-A24 WeakPolarHBondContact O-CB 3.35Å; T21-A24 PolarHBondContact O-N 3.01Å; Y22-A24 VanDerWaalsContact C-N 3.29Å; Y22-A24 PolarHBondContact O-N 3.24Å; A24-M26 VanDerWaalsContact C-N 3.33Å; A24-M26 PolarHBondContact O-N 2.75Å; A24-L27 PolarHBondContact O-N 3.37Å; A24-L28 WeakPolarHBondContact O-CB 3.46Å; A24-L28 VanDerWaalsContact O-CG 3.28Å; A24-L28 WeakPolarHBondContact O-CG 3.31Å; A24-L28 PolarHBondContact O-N 3.25Å; A24-F48 HydrophobicContact CB-CD2 4.43Å; A24-F48 HydrophobicContact CB-CE2 3.55Å; A24-F48 HydrophobicContact CB-CZ 3.84Å; A24-I84 HydrophobicContact CB-CD1 3.61Å; A24-I84 HydrophobicContact CB-CG2 3.94Å; A24-L115 HydrophobicContact CB-CD2 4.18Å; A24-L117 HydrophobicContact CB-CD1 4.08Å
25V79.1Confident70.6Confident33 Ų3335.1 Ų35.120%0.222%0.22CC..Hα-helixtrans-60-42.3176.2169.70000111.3T21 Y22 L28 K29T21-V25 WeakPolarHBondContact O-CG2 3.22Å; T21-V25 PolarHBondContact O-N 2.97Å; Y22-V25 PolarHBondContact O-N 3.32Å; V25-L28 PolarHBondContact O-N 3.48Å; V25-K29 WeakPolarHBondContact O-CG 3.48Å; V25-K29 PolarHBondContact O-N 2.95Å
26M76Confident70.9Confident22 Ų2239.3 Ų39.311%0.10824%0.237CC..Hα-helixtrans-68.7-37.5177.3-68.6-62.5-73.700112.5L2 Y22 A24 K29 E30 A1407L2-M26 HydrophobicContact CD1-CB 3.93Å; L2-M26 HydrophobicContact CD2-CB 3.77Å; L2-M26 HydrophobicContact CD2-CE 4.47Å; L2-M26 HydrophobicContact CG-CB 4.5Å; Y22-M26 HydrophobicContact CD1-CG 4.25Å; Y22-M26 HydrophobicContact CD2-CG 4.27Å; Y22-M26 HydrophobicContact CE1-CG 3.83Å; Y22-M26 HydrophobicContact CE2-CG 3.84Å; Y22-M26 HydrophobicContact CE2-SD 4.09Å; Y22-M26 HydrophobicContact CG-CG 4.46Å; Y22-M26 WeakPolarHBondContact O-CB 3.19Å; Y22-M26 WeakPolarHBondContact O-CG 3.28Å; Y22-M26 PolarHBondContact O-N 2.75Å; A24-M26 VanDerWaalsContact C-N 3.33Å; A24-M26 PolarHBondContact O-N 2.75Å; M26-K29 PolarHBondContact O-N 3.49Å; M26-K29 HydrophobicContact SD-CD 4.35Å; M26-E30 PolarHBondContact O-N 3.45Å; M26-A1407 WeakPolarHBondContact CE-O 3.38Å
27L82.4Confident71.5Confident0 Ų038.4 Ų38.40%023%0.228CC..Hα-helixtrans-64.3-39.9172.4-177.565000111.7L2 A5 I6 I23 A24 E30 M31 V82 L115L2-L27 HydrophobicContact CD1-CB 4.12Å; A5-L27 HydrophobicContact CB-CD1 4.39Å; A5-L27 HydrophobicContact CB-CD2 4.32Å; I6-L27 HydrophobicContact CB-CD1 4.45Å; I6-L27 HydrophobicContact CG1-CD1 3.64Å; I23-L27 WeakPolarHBondContact O-CB 3.2Å; I23-L27 PolarHBondContact O-N 3.2Å; A24-L27 PolarHBondContact O-N 3.37Å; L27-E30 PolarHBondContact O-N 2.71Å; L27-M31 HydrophobicContact CD1-CG 4.19Å; L27-M31 HydrophobicContact CD1-SD 3.9Å; L27-M31 HydrophobicContact CG-SD 4.42Å; L27-M31 WeakPolarHBondContact O-CB 3.12Å; L27-M31 PolarHBondContact O-N 3Å; L27-V82 HydrophobicContact CD2-CG1 4.02Å; L27-L115 HydrophobicContact CD2-CB 3.99Å; L27-L115 HydrophobicContact CD2-CD2 3.81Å; L27-L115 HydrophobicContact CD2-CG 4.46Å
28L81Confident72.3Confident24 Ų2437.3 Ų37.313%0.12621%0.208CC..Hα-helixtrans-65.6-40175.3-72167.1000112.2A24 V25 A32 F48 V58 I84A24-L28 WeakPolarHBondContact O-CB 3.46Å; A24-L28 VanDerWaalsContact O-CG 3.28Å; A24-L28 WeakPolarHBondContact O-CG 3.31Å; A24-L28 PolarHBondContact O-N 3.25Å; V25-L28 PolarHBondContact O-N 3.48Å; L28-A32 WeakPolarHBondContact O-CA 3.1Å; L28-A32 WeakPolarHBondContact O-CB 3.48Å; L28-A32 PolarHBondContact O-N 2.97Å; L28-A32 VanDerWaalsContact O-N 3.14Å; L28-F48 HydrophobicContact CD1-CD2 4.07Å; L28-V58 HydrophobicContact CD1-CG1 4.14Å; L28-V58 HydrophobicContact CD1-CG2 4.36Å; L28-V58 HydrophobicContact CD2-CG1 4.03Å; L28-V58 HydrophobicContact CD2-CG2 4.33Å; L28-I84 HydrophobicContact CD1-CD1 3.94Å; L28-I84 HydrophobicContact CD2-CD1 4.09Å; L28-I84 HydrophobicContact CG-CD1 3.77Å
29K73.5Confident72.8Confident80 Ų8039.8 Ų39.835%0.34822%0.219SC..Hα-helixtrans-63-41.9173.2-77.9-171.8175.6-167.70111.9V25 M26 A32V25-K29 WeakPolarHBondContact O-CG 3.48Å; V25-K29 PolarHBondContact O-N 2.95Å; M26-K29 PolarHBondContact O-N 3.49Å; M26-K29 HydrophobicContact SD-CD 4.35Å; K29-A32 WeakPolarHBondContact O-CB 3.28Å; K29-A32 PolarHBondContact O-N 2.7Å
30E74.9Confident73.1Confident40 Ų4044.3 Ų44.319%0.18725%0.248CC..Hα-helixtrans-71.7-43-179.2-159.679.9148.800112.1I6 M26 L27 A32 R1310 R1341I6-E30 HydrophobicContact CD1-CB 4.33Å; I6-E30 HydrophobicContact CD1-CG 3.91Å; I6-E30 HydrophobicContact CG1-CG 4.39Å; M26-E30 PolarHBondContact O-N 3.45Å; L27-E30 PolarHBondContact O-N 2.71Å; E30-A32 PolarHBondContact O-N 3.31Å; E30-R1310 VanDerWaalsContact OE2-CD 3.3Å; E30-R1310 WeakPolarHBondContact OE2-CD 3.41Å; E30-R1310 IonicContact OE2-CZ 2.75Å; E30-R1310 IonicContact OE2-NE 3.5Å; E30-R1310 IonicContact OE2-NH1 3.73Å; E30-R1310 PolarHBondContact OE2-NH1 2.98Å; E30-R1341 WeakPolarHBondContact OE1-CD 3.47Å; E30-R1341 IonicContact OE1-CZ 2.7Å; E30-R1341 IonicContact OE1-NE 2.8Å; E30-R1341 IonicContact OE1-NH1 3.26Å; E30-R1341 PolarHBondContact OE1-NH1 3.19Å
31M77.6Confident73.1Confident30 Ų3049.5 Ų49.515%0.14827%0.273CS..THydrogen-bonded Turntrans-85.316.6177.4-62.4-16862.700113.4L27 A33 N81 V82 R113L27-M31 HydrophobicContact CD1-CG 4.19Å; L27-M31 HydrophobicContact CD1-SD 3.9Å; L27-M31 HydrophobicContact CG-SD 4.42Å; L27-M31 WeakPolarHBondContact O-CB 3.12Å; L27-M31 PolarHBondContact O-N 3Å; M31-A33 VanDerWaalsContact C-N 3.34Å; M31-A33 PolarHBondContact O-N 3.15Å; M31-N81 PolarHBondContact O-ND2 3.13Å; M31-V82 HydrophobicContact CB-CG2 3.83Å; M31-V82 HydrophobicContact CE-CG2 3.72Å; M31-V82 HydrophobicContact CG-CG2 4.22Å; M31-V82 HydrophobicContact SD-CG2 3.52Å; M31-V82 VanDerWaalsContact SD-CG2 3.52Å; M31-R113 HydrophobicContact CE-CB 4Å; M31-R113 HydrophobicContact SD-CB 3.98Å; M31-R113 HydrophobicContact SD-CG 4.09Å
32A71.8Confident72.9Confident13 Ų1350.3 Ų50.311%0.10729%0.29CS..THydrogen-bonded Turntrans-69.6-26.9-176.300000113.8L28 K29 E30 D34 T35 K36L28-A32 WeakPolarHBondContact O-CA 3.1Å; L28-A32 WeakPolarHBondContact O-CB 3.48Å; L28-A32 PolarHBondContact O-N 2.97Å; L28-A32 VanDerWaalsContact O-N 3.14Å; K29-A32 WeakPolarHBondContact O-CB 3.28Å; K29-A32 PolarHBondContact O-N 2.7Å; E30-A32 PolarHBondContact O-N 3.31Å; A32-D34 PolarHBondContact O-N 3.36Å; A32-T35 WeakPolarHBondContact CA-OG1 3.33Å; A32-T35 PolarHBondContact O-N 2.85Å; A32-T35 PolarHBondContact O-OG1 3.48Å; A32-K36 WeakPolarHBondContact O-CG 3.44Å; A32-K36 PolarHBondContact O-N 2.87Å; A32-K36 VanDerWaalsContact O-N 3.14Å
33A67.4Low72.9Confident60 Ų6049.3 Ų49.350%0.49629%0.286SS..Hα-helixtrans-54.1-57.9-173.900000112.4M31 T35 K36M31-A33 VanDerWaalsContact C-N 3.34Å; M31-A33 PolarHBondContact O-N 3.15Å; A33-T35 PolarHBondContact O-N 3.34Å; A33-T35 VanDerWaalsContact O-N 3.11Å; A33-K36 PolarHBondContact O-N 2.86Å
34D67.6Low73Confident60 Ų6049.1 Ų49.132%0.32129%0.285SS..Hα-helixtrans-60.3-25.1178.5-52.1-33.2000112.9A32 G43 K44 N81A32-D34 PolarHBondContact O-N 3.36Å; D34-G43 CarbonylContact O-C 3.48Å; D34-G43 WeakPolarHBondContact O-CA 3.34Å; D34-K44 HydrophobicContact CB-CB 4.38Å; D34-K44 HydrophobicContact CB-CD 4.46Å; D34-K44 PolarHBondContact O-N 3.35Å; D34-N81 WeakPolarHBondContact CB-ND2 3.39Å; D34-N81 PolarHBondContact OD2-ND2 2.78Å; D34-N81 PolarHBondContact OD2-OD1 2.7Å
35T66.7Low72.9Confident38 Ų3852.6 Ų52.623%0.23330%0.298CS..Hα-helixtrans-84.7-18.9-177.169.60000114.2A32 A33 L37 K44 R45 S46 N81A32-T35 WeakPolarHBondContact CA-OG1 3.33Å; A32-T35 PolarHBondContact O-N 2.85Å; A32-T35 PolarHBondContact O-OG1 3.48Å; A33-T35 PolarHBondContact O-N 3.34Å; A33-T35 VanDerWaalsContact O-N 3.11Å; T35-L37 VanDerWaalsContact C-N 3.34Å; T35-K44 WeakPolarHBondContact CA-O 3.49Å; T35-R45 PolarHBondContact O-NH1 3.33Å; T35-S46 WeakPolarHBondContact CG2-OG 3.31Å; T35-N81 HydrophobicContact CG2-CB 4.21Å
36K63.4Low73.2Confident93 Ų9351.4 Ų51.440%0.40429%0.291SS..Hα-helixtrans-79.3-18.3179.2-73.8166.9172.8-1720112.6A32 A33 R1310A32-K36 WeakPolarHBondContact O-CG 3.44Å; A32-K36 PolarHBondContact O-N 2.87Å; A32-K36 VanDerWaalsContact O-N 3.14Å; A33-K36 PolarHBondContact O-N 2.86Å; K36-R1310 PolarHBondContact NZ-O 3.41Å
37L68Low73.6Confident75 Ų7550.3 Ų50.339%0.39329%0.286SS..SBendtrans-73.3149177.2-72.5170.6000112.6T35 G43 R45T35-L37 VanDerWaalsContact C-N 3.34Å; L37-G43 VanDerWaalsContact CB-CA 3.46Å; L37-R45 PolarHBondContact O-NH1 2.85Å; L37-R45 PolarHBondContact O-NH2 2.86Å
38P67.6Low73.7Confident51 Ų5151.3 Ų51.333%0.33129%0.29SS..  trans-57.4145.7164.6-25.637.1000112.4S40 E41 G43P38-S40 WeakPolarHBondContact CB-OG 3.21Å; P38-S40 PolarHBondContact O-N 3.34Å; P38-E41 HydrophobicContact CB-CB 4.33Å; P38-E41 HydrophobicContact CB-CG 4.28Å; P38-E41 WeakPolarHBondContact CD-OE2 3.4Å; P38-E41 HydrophobicContact CG-CG 4.41Å; P38-E41 PolarHBondContact O-N 3.24Å; P38-G43 WeakPolarHBondContact O-CA 3.42Å; P38-G43 PolarHBondContact O-N 3.34Å
39L69.5Low73.8Confident91 Ų9150.1 Ų50.148%0.47628%0.284SS..G310 helixtrans-61-30.2175.1-84.3152.8000112.2E41 G42 G43 L79L39-E41 PolarHBondContact O-N 2.98Å; L39-G42 PolarHBondContact O-N 3.23Å; L39-G43 VanDerWaalsContact CD2-O 3.28Å; L39-G43 WeakPolarHBondContact CD2-O 3.34Å; L39-L79 HydrophobicContact CD2-CD1 4.48Å; L39-L79 HydrophobicContact CD2-CD2 4.12Å
40S69.4Low74.1Confident109 Ų10947.5 Ų47.576%0.76227%0.274SS*.G310 helixtrans-65.8-18.817346.70000114.4P38P38-S40 WeakPolarHBondContact CB-OG 3.21Å; P38-S40 PolarHBondContact O-N 3.34Å
41E70.8Confident73.7Confident130 Ų13051 Ų5161%0.60729%0.294SS*.G310 helixtrans-109.320.3-177.8-68.2166-150.300111.4P38 L39 G43P38-E41 HydrophobicContact CB-CB 4.33Å; P38-E41 HydrophobicContact CB-CG 4.28Å; P38-E41 WeakPolarHBondContact CD-OE2 3.4Å; P38-E41 HydrophobicContact CG-CG 4.41Å; P38-E41 PolarHBondContact O-N 3.24Å; L39-E41 PolarHBondContact O-N 2.98Å; E41-G43 VanDerWaalsContact C-N 3.3Å; E41-G43 PolarHBondContact O-N 2.64Å
42G71.3Confident72.6Confident62 Ų6255 Ų5564%0.63931%0.311SS*.THydrogen-bonded Turntrans79.47.6-17700000114.6L39 K44L39-G42 PolarHBondContact O-N 3.23Å; G42-K44 PolarHBondContact O-N 3.39Å
43G71.2Confident71.5Confident1 Ų157.5 Ų57.51%0.0133%0.325CS..  trans-65.2129.4178.900000113.3D34 L37 P38 L39 E41D34-G43 CarbonylContact O-C 3.48Å; D34-G43 WeakPolarHBondContact O-CA 3.34Å; L37-G43 VanDerWaalsContact CB-CA 3.46Å; P38-G43 WeakPolarHBondContact O-CA 3.42Å; P38-G43 PolarHBondContact O-N 3.34Å; L39-G43 VanDerWaalsContact CD2-O 3.28Å; L39-G43 WeakPolarHBondContact CD2-O 3.34Å; E41-G43 VanDerWaalsContact C-N 3.3Å; E41-G43 PolarHBondContact O-N 2.64Å
44K80.7Confident70.4Confident20 Ų2060.2 Ų60.29%0.08733%0.326CS..  trans-90.1175.9-176.9-74.4172.9163.6-76.20112.2D34 T35 G42 D78 L79 L80 N81 K110D34-K44 HydrophobicContact CB-CB 4.38Å; D34-K44 HydrophobicContact CB-CD 4.46Å; D34-K44 PolarHBondContact O-N 3.35Å; T35-K44 WeakPolarHBondContact CA-O 3.49Å; G42-K44 PolarHBondContact O-N 3.39Å; K44-D78 PolarHBondContact NZ-O 3.04Å; K44-L79 CarbonylContact C-O 3.59Å; K44-L79 WeakPolarHBondContact CA-O 3.44Å; K44-L79 WeakPolarHBondContact CB-O 3.3Å; K44-L80 PolarHBondContact NZ-O 2.85Å; K44-N81 HydrophobicContact CB-CB 3.79Å; K44-N81 HydrophobicContact CD-CB 3.9Å; K44-N81 WeakPolarHBondContact CD-OD1 3.5Å; K44-N81 HydrophobicContact CG-CB 4.5Å; K44-K110 PolarHBondContact NZ-O 3.12Å
45R80.7Confident68.7Low72 Ų7266.2 Ų66.227%0.27235%0.354SS..EExtended strand (participates in β ladder)trans-126.3147.4171.4-59.6-64.2173.9-110.911.2111.5T35 L37 L59 L79 L80 N81T35-R45 PolarHBondContact O-NH1 3.33Å; L37-R45 PolarHBondContact O-NH1 2.85Å; L37-R45 PolarHBondContact O-NH2 2.86Å; R45-L59 HydrophobicContact CB-CD1 4.4Å; R45-L79 PolarHBondContact N-O 3.06Å; R45-L80 HydrophobicContact CB-CD2 4.35Å; R45-L80 CarbonylContact O-C 3.55Å; R45-L80 WeakPolarHBondContact O-CA 3.37Å; R45-N81 PolarHBondContact O-N 2.92Å
46S84.9Confident67.4Low8 Ų869.3 Ų69.36%0.05637%0.365CS..EExtended strand (participates in β ladder)trans-107.2144172.8-67.80000110.4T35 V58 L59 V82T35-S46 WeakPolarHBondContact CG2-OG 3.31Å; S46-V58 WeakPolarHBondContact O-CG1 3.34Å; S46-L59 PolarHBondContact O-N 3.2Å; S46-L59 VanDerWaalsContact O-N 3.12Å; S46-V82 WeakPolarHBondContact CA-O 3.26Å
47V85.1Confident66.8Low0 Ų075.8 Ų75.80%039%0.386CS..EExtended strand (participates in β ladder)trans-124.4135.4-176.5-177.50000109.5L49 L59 M61 L66 L80 V82 I84V47-L49 HydrophobicContact CG1-CD2 3.62Å; V47-L49 HydrophobicContact CG1-CG 4.1Å; V47-L59 WeakPolarHBondContact CA-O 3.39Å; V47-L59 WeakPolarHBondContact CG1-O 3.45Å; V47-L59 HydrophobicContact CG2-CB 4.17Å; V47-L59 HydrophobicContact CG2-CD1 4.38Å; V47-M61 HydrophobicContact CG1-CE 4.35Å; V47-M61 HydrophobicContact CG1-CG 4.14Å; V47-M61 HydrophobicContact CG1-SD 4.48Å; V47-L66 HydrophobicContact CG1-CD1 4.36Å; V47-L66 HydrophobicContact CG1-CD2 4.16Å; V47-L66 HydrophobicContact CG2-CD1 4.23Å; V47-L80 HydrophobicContact CG2-CD1 4.32Å; V47-L80 HydrophobicContact CG2-CD2 3.77Å; V47-V82 PolarHBondContact N-O 3.47Å; V47-I84 PolarHBondContact O-N 3.42Å
48F85.6Confident66.7Low20 Ų2074.3 Ų74.39%0.08838%0.38CS..EExtended strand (participates in β ladder)trans-116.5117.9170.8-156.9-38.3000107.5T21 A24 L28 V50 L59 V60 M61 I84 D86 L117T21-F48 HydrophobicContact CG2-CE2 4.39Å; T21-F48 HydrophobicContact CG2-CZ 4.35Å; A24-F48 HydrophobicContact CB-CD2 4.43Å; A24-F48 HydrophobicContact CB-CE2 3.55Å; A24-F48 HydrophobicContact CB-CZ 3.84Å; L28-F48 HydrophobicContact CD1-CD2 4.07Å; F48-V50 HydrophobicContact CD1-CG1 3.68Å; F48-V50 HydrophobicContact CE1-CG1 3.79Å; F48-L59 PolarHBondContact N-O 3.42Å; F48-V60 HydrophobicContact CB-CG2 4.28Å; F48-V60 WeakPolarHBondContact O-CA 3.24Å; F48-M61 PolarHBondContact O-N 3.28Å; F48-I84 HydrophobicContact CD1-CB 4.11Å; F48-I84 HydrophobicContact CD1-CG2 3.99Å; F48-I84 HydrophobicContact CD2-CB 4.48Å; F48-I84 HydrophobicContact CD2-CD1 4.36Å; F48-I84 HydrophobicContact CD2-CG2 4.47Å; F48-I84 HydrophobicContact CE1-CB 4.46Å; F48-I84 HydrophobicContact CE1-CG2 3.83Å; F48-I84 HydrophobicContact CE2-CG2 4.34Å; F48-I84 HydrophobicContact CG-CB 4.12Å; F48-I84 HydrophobicContact CG-CG2 4.31Å; F48-I84 HydrophobicContact CZ-CG2 4.02Å; F48-D86 HydrophobicContact CE1-CB 4.39Å; F48-L117 HydrophobicContact CZ-CD1 4.29Å
49L83.3Confident67.1Low0 Ų075 Ų750%038%0.381CS..EExtended strand (participates in β ladder)trans-95121.6179.9-59.6179.1000110.8V47 M61 L66 I83 I84 F85 D86 Y97 I100V47-L49 HydrophobicContact CG1-CD2 3.62Å; V47-L49 HydrophobicContact CG1-CG 4.1Å; L49-M61 WeakPolarHBondContact CA-O 3.45Å; L49-M61 HydrophobicContact CD2-CG 3.79Å; L49-L66 HydrophobicContact CD1-CD2 4.03Å; L49-L66 HydrophobicContact CD2-CB 3.89Å; L49-L66 HydrophobicContact CD2-CD2 4.05Å; L49-L66 HydrophobicContact CG-CD2 4.47Å; L49-I83 HydrophobicContact CD1-CG2 4.05Å; L49-I83 HydrophobicContact CG-CG2 4.43Å; L49-I84 WeakPolarHBondContact CB-O 3.23Å; L49-I84 PolarHBondContact N-O 3.49Å; L49-F85 HydrophobicContact CD1-CD1 3.8Å; L49-F85 HydrophobicContact CD1-CE1 3.64Å; L49-F85 HydrophobicContact CD1-CG 4.45Å; L49-F85 HydrophobicContact CD1-CZ 4.19Å; L49-D86 PolarHBondContact O-N 3.42Å; L49-D86 VanDerWaalsContact O-N 3.14Å; L49-Y97 HydrophobicContact CB-CE1 3.94Å; L49-Y97 HydrophobicContact CD1-CD1 4.19Å; L49-Y97 HydrophobicContact CD1-CE1 3.98Å; L49-I100 HydrophobicContact CD1-CD1 3.94Å
50V78.9Confident67.6Low24 Ų2472.2 Ų72.215%0.14537%0.368CS..  trans-141155.9-174.6-69.20000110.5F48 K52 V60 M61 T62F48-V50 HydrophobicContact CD1-CG1 3.68Å; F48-V50 HydrophobicContact CE1-CG1 3.79Å; V50-K52 WeakPolarHBondContact CG2-O 3.35Å; V50-V60 HydrophobicContact CG2-CG1 3.46Å; V50-V60 VanDerWaalsContact CG2-CG1 3.46Å; V50-M61 PolarHBondContact N-O 3.38Å; V50-M61 VanDerWaalsContact N-O 3.08Å; V50-T62 VanDerWaalsContact O-CA 3.27Å; V50-T62 WeakPolarHBondContact O-CA 3.17Å
51D65.5Low68.2Low113 Ų11367.7 Ų67.760%0.60434%0.335SS*.SBendtrans-75.6-25.3-179.3-77-14.2000114
52K54.6Low68.9Low115 Ų11563.3 Ų63.350%0.532%0.317SS..SBendtrans-129137.2177.4-61.4177.1-173.1171.60109.3V50 D1065V50-K52 WeakPolarHBondContact CG2-O 3.35Å; K52-D1065 IonicContact NZ-OD2 3.22Å; K52-D1065 PolarHBondContact NZ-OD2 3.16Å
53V50.4Low69.6Low66 Ų6660.7 Ų60.740%0.429%0.289SS..  trans-108.7135.4-166-178.80000112.9V60 T62V53-V60 WeakPolarHBondContact CG1-O 3.37Å; V53-T62 HydrophobicContact CG2-CG2 3.64Å
54F43Very low70.3Confident116 Ų11664.8 Ų64.851%0.50931%0.308SS..  trans-126.4144.5167.2-61.2-79.3000109.6F56 A1066F54-F56 HydrophobicContact CB-CD2 4.48Å; F54-F56 HydrophobicContact CB-CE2 3.83Å; F54-A1066 HydrophobicContact CE2-CB 4.07Å; F54-A1066 HydrophobicContact CZ-CB 3.79Å
55M33.1Very low70.5Confident187 Ų18767.4 Ų67.492%0.92132%0.322SS*.  trans-80124.6-171.8-83.3-171.368.600113.3
56F39Very low70.8Confident103 Ų10364 Ų6445%0.45231%0.309SS..  trans-142.1176.2172.7-64.7-74.7000112.2F54 V58 V60F54-F56 HydrophobicContact CB-CD2 4.48Å; F54-F56 HydrophobicContact CB-CE2 3.83Å; F56-V58 VanDerWaalsContact C-N 3.34Å; F56-V58 CarbonylContact C-O 3.57Å; F56-V60 HydrophobicContact CB-CG2 4.41Å; F56-V60 HydrophobicContact CD2-CG2 4.05Å
57R50.5Low70.8Confident228 Ų22864.3 Ų64.386%0.8631%0.31SS*.SBendtrans-72.9-22.2176.2-80.9-179169.2150.7-1.2114.1
58V66.6Low70.7Confident44 Ų4467.7 Ų67.727%0.26733%0.328SS..SBendtrans-82.8141.4162.3175.20000107L28 S46 F56 V60L28-V58 HydrophobicContact CD1-CG1 4.14Å; L28-V58 HydrophobicContact CD1-CG2 4.36Å; L28-V58 HydrophobicContact CD2-CG1 4.03Å; L28-V58 HydrophobicContact CD2-CG2 4.33Å; S46-V58 WeakPolarHBondContact O-CG1 3.34Å; F56-V58 VanDerWaalsContact C-N 3.34Å; F56-V58 CarbonylContact C-O 3.57Å; V58-V60 VanDerWaalsContact C-N 3.32Å; V58-V60 PolarHBondContact O-N 2.99Å
59L76.3Confident70.6Confident66 Ų6669.2 Ų69.235%0.34634%0.336SS..EExtended strand (participates in β ladder)trans-74.186.6-178.8-66.5177.3000110.4R45 S46 V47 F48 M61R45-L59 HydrophobicContact CB-CD1 4.4Å; S46-L59 PolarHBondContact O-N 3.2Å; S46-L59 VanDerWaalsContact O-N 3.12Å; V47-L59 WeakPolarHBondContact CA-O 3.39Å; V47-L59 WeakPolarHBondContact CG1-O 3.45Å; V47-L59 HydrophobicContact CG2-CB 4.17Å; V47-L59 HydrophobicContact CG2-CD1 4.38Å; F48-L59 PolarHBondContact N-O 3.42Å; L59-M61 HydrophobicContact CB-CE 3.78Å; L59-M61 HydrophobicContact CD1-CE 4.2Å; L59-M61 HydrophobicContact CG-CE 4.44Å
60V78.3Confident70.6Confident32 Ų3270.3 Ų70.319%0.19434%0.342CS..EExtended strand (participates in β ladder)trans-79.2121.1168.9-177.10000108F48 V50 V53 F56 V58F48-V60 HydrophobicContact CB-CG2 4.28Å; F48-V60 WeakPolarHBondContact O-CA 3.24Å; V50-V60 HydrophobicContact CG2-CG1 3.46Å; V50-V60 VanDerWaalsContact CG2-CG1 3.46Å; V53-V60 WeakPolarHBondContact CG1-O 3.37Å; F56-V60 HydrophobicContact CB-CG2 4.41Å; F56-V60 HydrophobicContact CD2-CG2 4.05Å; V58-V60 VanDerWaalsContact C-N 3.32Å; V58-V60 PolarHBondContact O-N 2.99Å
61M82.8Confident70.7Confident14 Ų1473 Ų737%0.06936%0.358CS..EExtended strand (participates in β ladder)trans-157.2168-178.967.6175.68000112.4V47 F48 L49 V50 L59 I65 L66 M69V47-M61 HydrophobicContact CG1-CE 4.35Å; V47-M61 HydrophobicContact CG1-CG 4.14Å; V47-M61 HydrophobicContact CG1-SD 4.48Å; F48-M61 PolarHBondContact O-N 3.28Å; L49-M61 WeakPolarHBondContact CA-O 3.45Å; L49-M61 HydrophobicContact CD2-CG 3.79Å; V50-M61 PolarHBondContact N-O 3.38Å; V50-M61 VanDerWaalsContact N-O 3.08Å; L59-M61 HydrophobicContact CB-CE 3.78Å; L59-M61 HydrophobicContact CD1-CE 4.2Å; L59-M61 HydrophobicContact CG-CE 4.44Å; M61-I65 HydrophobicContact CB-CB 4.24Å; M61-I65 HydrophobicContact CB-CD1 4.39Å; M61-I65 HydrophobicContact CB-CG2 4.29Å; M61-I65 HydrophobicContact CG-CB 4.44Å; M61-I65 HydrophobicContact SD-CB 3.99Å; M61-I65 HydrophobicContact SD-CG2 3.7Å; M61-L66 HydrophobicContact CE-CD1 4.5Å; M61-L66 HydrophobicContact CG-CB 4.41Å; M61-L66 VanDerWaalsContact SD-CA 3.57Å; M61-L66 HydrophobicContact SD-CB 3.6Å; M61-L66 HydrophobicContact SD-CD1 4.15Å; M61-L66 HydrophobicContact SD-CG 4.48Å; M61-L66 PolarHBondContact SD-N 3.12Å; M61-L66 VanDerWaalsContact SD-N 3.35Å; M61-M69 HydrophobicContact CE-SD 4.1Å; M61-M69 HydrophobicContact SD-SD 4.35Å
62T86Confident71.5Confident39 Ų3973.4 Ų73.424%0.23936%0.356CS..  trans-77.6154.9171.273.60000112.1V50 V53 Q64 I65 L66V50-T62 VanDerWaalsContact O-CA 3.27Å; V50-T62 WeakPolarHBondContact O-CA 3.17Å; V53-T62 HydrophobicContact CG2-CG2 3.64Å; T62-Q64 PolarHBondContact O-N 3.37Å; T62-Q64 VanDerWaalsContact O-N 3.15Å; T62-I65 PolarHBondContact O-N 3.45Å; T62-I65 WeakPolarHBondContact OG1-CG1 3.17Å; T62-L66 PolarHBondContact O-N 3.45Å
63A85.3Confident72.6Confident6 Ų671 Ų715%0.0536%0.363CS..Hα-helixtrans-50.7-39.4178.600000113.2M67 P96 Y97A63-M67 WeakPolarHBondContact O-CB 3.48Å; A63-M67 PolarHBondContact O-N 3.47Å; A63-M67 VanDerWaalsContact O-N 3.09Å; A63-P96 HydrophobicContact CB-CB 3.95Å; A63-P96 HydrophobicContact CB-CG 4.45Å; A63-Y97 HydrophobicContact CB-CD1 3.56Å; A63-Y97 HydrophobicContact CB-CE1 3.39Å
64Q85.1Confident73.9Confident87 Ų8776.2 Ų76.241%0.40738%0.377SS..Hα-helixtrans-69.5-33.3-178.8-166.861.956.500112.5T62 M67 N68 P96T62-Q64 PolarHBondContact O-N 3.37Å; T62-Q64 VanDerWaalsContact O-N 3.15Å; Q64-M67 PolarHBondContact O-N 3.11Å; Q64-N68 PolarHBondContact NE2-OD1 3.29Å; Q64-N68 WeakPolarHBondContact O-CB 3.32Å; Q64-N68 PolarHBondContact O-N 3.19Å; Q64-N68 PolarHBondContact O-OD1 2.86Å; Q64-P96 VanDerWaalsContact OE1-CG 3.24Å
65I86.1Confident75.7Confident76 Ų7671.7 Ų71.739%0.3936%0.358SS..Hα-helixtrans-66.7-47.7178.5-63168.6000109.7M61 T62 M67 N68 M69M61-I65 HydrophobicContact CB-CB 4.24Å; M61-I65 HydrophobicContact CB-CD1 4.39Å; M61-I65 HydrophobicContact CB-CG2 4.29Å; M61-I65 HydrophobicContact CG-CB 4.44Å; M61-I65 HydrophobicContact SD-CB 3.99Å; M61-I65 HydrophobicContact SD-CG2 3.7Å; T62-I65 PolarHBondContact O-N 3.45Å; T62-I65 WeakPolarHBondContact OG1-CG1 3.17Å; I65-M67 VanDerWaalsContact C-N 3.34Å; I65-M67 PolarHBondContact O-N 2.75Å; I65-N68 PolarHBondContact O-N 3.21Å; I65-M69 HydrophobicContact CG2-SD 4.25Å; I65-M69 WeakPolarHBondContact O-CG 3.45Å; I65-M69 PolarHBondContact O-N 2.83Å
66L87.4Confident78Confident0 Ų065.1 Ų65.10%033%0.331CS..Hα-helixtrans-61.8-44.1177.1-174.267.2000111.1V47 L49 M61 T62 N68 M69 I70 I75 I100V47-L66 HydrophobicContact CG1-CD1 4.36Å; V47-L66 HydrophobicContact CG1-CD2 4.16Å; V47-L66 HydrophobicContact CG2-CD1 4.23Å; L49-L66 HydrophobicContact CD1-CD2 4.03Å; L49-L66 HydrophobicContact CD2-CB 3.89Å; L49-L66 HydrophobicContact CD2-CD2 4.05Å; L49-L66 HydrophobicContact CG-CD2 4.47Å; M61-L66 HydrophobicContact CE-CD1 4.5Å; M61-L66 HydrophobicContact CG-CB 4.41Å; M61-L66 VanDerWaalsContact SD-CA 3.57Å; M61-L66 HydrophobicContact SD-CB 3.6Å; M61-L66 HydrophobicContact SD-CD1 4.15Å; M61-L66 HydrophobicContact SD-CG 4.48Å; M61-L66 PolarHBondContact SD-N 3.12Å; M61-L66 VanDerWaalsContact SD-N 3.35Å; T62-L66 PolarHBondContact O-N 3.45Å; L66-N68 VanDerWaalsContact C-N 3.34Å; L66-N68 PolarHBondContact O-N 3.41Å; L66-M69 PolarHBondContact O-N 2.9Å; L66-I70 HydrophobicContact CD1-CD1 4.21Å; L66-I70 HydrophobicContact CD1-CG1 4.48Å; L66-I70 HydrophobicContact CD2-CD1 4.19Å; L66-I70 HydrophobicContact CG-CD1 3.77Å; L66-I70 HydrophobicContact CG-CG1 4.43Å; L66-I70 WeakPolarHBondContact O-CG1 3.35Å; L66-I70 PolarHBondContact O-N 2.72Å; L66-I75 HydrophobicContact CD1-CG2 4.33Å; L66-I100 HydrophobicContact CB-CD1 4.36Å; L66-I100 HydrophobicContact CD2-CD1 4.14Å; L66-I100 HydrophobicContact CD2-CG2 4.15Å
67M84.3Confident80.2Confident14 Ų1460.8 Ų60.87%0.06931%0.312CS..Hα-helixtrans-60.3-44178.5-171.461.1-169.700111.5A63 Q64 I65 M69 I70 V71 P96 Q99 I100A63-M67 WeakPolarHBondContact O-CB 3.48Å; A63-M67 PolarHBondContact O-N 3.47Å; A63-M67 VanDerWaalsContact O-N 3.09Å; Q64-M67 PolarHBondContact O-N 3.11Å; I65-M67 VanDerWaalsContact C-N 3.34Å; I65-M67 PolarHBondContact O-N 2.75Å; M67-M69 PolarHBondContact O-N 3.19Å; M67-I70 PolarHBondContact O-N 3.3Å; M67-V71 HydrophobicContact CE-CG2 3.64Å; M67-V71 HydrophobicContact CG-CG2 4.39Å; M67-V71 WeakPolarHBondContact O-CB 3.11Å; M67-V71 VanDerWaalsContact O-CG2 3.24Å; M67-V71 WeakPolarHBondContact O-CG2 3.14Å; M67-V71 PolarHBondContact O-N 3.5Å; M67-V71 HydrophobicContact SD-CG2 4.4Å; M67-P96 HydrophobicContact CB-CB 4.39Å; M67-Q99 HydrophobicContact CE-CB 3.41Å; M67-Q99 VanDerWaalsContact CE-CB 3.41Å; M67-Q99 HydrophobicContact CG-CB 4.4Å; M67-Q99 HydrophobicContact SD-CB 3.68Å; M67-I100 HydrophobicContact CB-CD1 4.4Å; M67-I100 HydrophobicContact CB-CG1 4.08Å; M67-I100 HydrophobicContact SD-CG1 3.85Å
68N82.5Confident81.8Confident71 Ų7153.3 Ų53.338%0.3829%0.289SS..Hα-helixtrans-61.7-44175.5-68.81.3000111.5Q64 I65 L66 I70 V71 H72Q64-N68 PolarHBondContact NE2-OD1 3.29Å; Q64-N68 WeakPolarHBondContact O-CB 3.32Å; Q64-N68 PolarHBondContact O-N 3.19Å; Q64-N68 PolarHBondContact O-OD1 2.86Å; I65-N68 PolarHBondContact O-N 3.21Å; L66-N68 VanDerWaalsContact C-N 3.34Å; L66-N68 PolarHBondContact O-N 3.41Å; N68-I70 VanDerWaalsContact C-N 3.33Å; N68-I70 PolarHBondContact O-N 3.15Å; N68-V71 PolarHBondContact O-N 2.87Å; N68-H72 WeakPolarHBondContact O-CB 3.49Å; N68-H72 PolarHBondContact O-CD2 3.04Å; N68-H72 PolarHBondContact O-N 2.95Å
69M84.3Confident82.6Confident52 Ų5254.5 Ų54.526%0.25629%0.294SS..Hα-helixtrans-62.6-37.7178.1-69.8179.96900112.8M61 I65 L66 M67 G73 Y74 I75M61-M69 HydrophobicContact CE-SD 4.1Å; M61-M69 HydrophobicContact SD-SD 4.35Å; I65-M69 HydrophobicContact CG2-SD 4.25Å; I65-M69 WeakPolarHBondContact O-CG 3.45Å; I65-M69 PolarHBondContact O-N 2.83Å; L66-M69 PolarHBondContact O-N 2.9Å; M67-M69 PolarHBondContact O-N 3.19Å; M69-G73 PolarHBondContact O-N 2.97Å; M69-Y74 PolarHBondContact O-N 2.78Å; M69-I75 HydrophobicContact CB-CG2 3.75Å; M69-I75 HydrophobicContact CE-CB 4.43Å; M69-I75 HydrophobicContact CE-CG2 4.34Å; M69-I75 PolarHBondContact O-N 3.31Å
70I83.7Confident83Confident23 Ų2351.3 Ų51.312%0.11828%0.277CS..Hα-helixtrans-70.6-42.9175.2-66165.4000110.8L66 M67 N68 H72 G73 I75 I77 I100 R103L66-I70 HydrophobicContact CD1-CD1 4.21Å; L66-I70 HydrophobicContact CD1-CG1 4.48Å; L66-I70 HydrophobicContact CD2-CD1 4.19Å; L66-I70 HydrophobicContact CG-CD1 3.77Å; L66-I70 HydrophobicContact CG-CG1 4.43Å; L66-I70 WeakPolarHBondContact O-CG1 3.35Å; L66-I70 PolarHBondContact O-N 2.72Å; M67-I70 PolarHBondContact O-N 3.3Å; N68-I70 VanDerWaalsContact C-N 3.33Å; N68-I70 PolarHBondContact O-N 3.15Å; I70-H72 PolarHBondContact O-N 2.82Å; I70-G73 PolarHBondContact O-N 3.25Å; I70-I75 HydrophobicContact CG1-CG2 3.95Å; I70-I77 HydrophobicContact CD1-CD1 4.09Å; I70-I77 HydrophobicContact CD1-CG1 3.91Å; I70-I77 HydrophobicContact CG1-CG1 4.38Å; I70-I100 HydrophobicContact CD1-CG2 4.38Å; I70-R103 HydrophobicContact CG2-CB 4.22Å; I70-R103 HydrophobicContact CG2-CG 4.04Å
71V79.9Confident83.3Confident80 Ų8050.1 Ų50.149%0.48527%0.269SS..Hα-helixtrans-64.8-38.8179.6167.30000112.4M67 N68 G73M67-V71 HydrophobicContact CE-CG2 3.64Å; M67-V71 HydrophobicContact CG-CG2 4.39Å; M67-V71 WeakPolarHBondContact O-CB 3.11Å; M67-V71 VanDerWaalsContact O-CG2 3.24Å; M67-V71 WeakPolarHBondContact O-CG2 3.14Å; M67-V71 PolarHBondContact O-N 3.5Å; M67-V71 HydrophobicContact SD-CG2 4.4Å; N68-V71 PolarHBondContact O-N 2.87Å; V71-G73 VanDerWaalsContact C-N 3.29Å
72H82.6Confident83.6Confident123 Ų12349.4 Ų49.457%0.56927%0.266SS*.THydrogen-bonded Turntrans-83.6-0.2177-63.3-54.4000113.7N68 I70 Y74N68-H72 WeakPolarHBondContact O-CB 3.49Å; N68-H72 PolarHBondContact O-CD2 3.04Å; N68-H72 PolarHBondContact O-N 2.95Å; I70-H72 PolarHBondContact O-N 2.82Å; H72-Y74 VanDerWaalsContact C-N 3.25Å; H72-Y74 HydrophobicContact CB-CD2 3.62Å; H72-Y74 HydrophobicContact CB-CE2 3.49Å; H72-Y74 VanDerWaalsContact CB-CE2 3.49Å; H72-Y74 HydrophobicContact CB-CG 4.31Å; H72-Y74 PolarHBondContact O-N 3.16Å
73G77.8Confident83.9Confident63 Ų6347.6 Ų47.665%0.64926%0.255SS*.THydrogen-bonded Turntrans71.812.7179.400000115M69 I70 V71 I75M69-G73 PolarHBondContact O-N 2.97Å; I70-G73 PolarHBondContact O-N 3.25Å; V71-G73 VanDerWaalsContact C-N 3.29Å; G73-I75 PolarHBondContact O-N 2.85Å
74Y77.8Confident84.1Confident176 Ų17647.3 Ų47.369%0.6925%0.252SS*.SBendtrans-70.5-20.1175.7-61.6-48000112.9M69 H72M69-Y74 PolarHBondContact O-N 2.78Å; H72-Y74 VanDerWaalsContact C-N 3.25Å; H72-Y74 HydrophobicContact CB-CD2 3.62Å; H72-Y74 HydrophobicContact CB-CE2 3.49Å; H72-Y74 VanDerWaalsContact CB-CE2 3.49Å; H72-Y74 HydrophobicContact CB-CG 4.31Å; H72-Y74 PolarHBondContact O-N 3.16Å
75I79.4Confident84.4Confident21 Ų2143.1 Ų43.111%0.10823%0.233CC..SBendtrans-148.4136.5171.5-161.7164.5000110.6L66 M69 I70 G73 L80L66-I75 HydrophobicContact CD1-CG2 4.33Å; M69-I75 HydrophobicContact CB-CG2 3.75Å; M69-I75 HydrophobicContact CE-CB 4.43Å; M69-I75 HydrophobicContact CE-CG2 4.34Å; M69-I75 PolarHBondContact O-N 3.31Å; I70-I75 HydrophobicContact CG1-CG2 3.95Å; G73-I75 PolarHBondContact O-N 2.85Å; I75-L80 HydrophobicContact CD1-CD2 3.64Å; I75-L80 HydrophobicContact CG1-CD2 4.33Å
76S82.6Confident84.4Confident50 Ų5041.8 Ų41.835%0.3523%0.227SC..  trans-100.1151.7172.164.70000110.8D78 L79S76-D78 VanDerWaalsContact C-N 3.31Å; S76-D78 WeakPolarHBondContact CB-OD1 3.25Å; S76-D78 PolarHBondContact O-N 3.46Å; S76-D78 PolarHBondContact OG-OD1 2.69Å; S76-L79 PolarHBondContact O-N 2.84Å; S76-L79 WeakPolarHBondContact OG-CD1 3.49Å; S76-L79 WeakPolarHBondContact OG-CG 3.37Å
77I84.8Confident84.2Confident11 Ų1143.9 Ų43.96%0.05624%0.236CC..G310 helixtrans-70.3-27.6-171.2-72.2175.8000112.5I70 L79 L80 R103 Y104 C107 P112I70-I77 HydrophobicContact CD1-CD1 4.09Å; I70-I77 HydrophobicContact CD1-CG1 3.91Å; I70-I77 HydrophobicContact CG1-CG1 4.38Å; I77-L79 VanDerWaalsContact C-N 3.28Å; I77-L79 PolarHBondContact O-N 3.23Å; I77-L80 WeakPolarHBondContact O-CB 3.12Å; I77-L80 PolarHBondContact O-N 3.22Å; I77-L80 VanDerWaalsContact O-N 3.1Å; I77-R103 VanDerWaalsContact CD1-C 3.4Å; I77-R103 HydrophobicContact CD1-CB 3.46Å; I77-R103 VanDerWaalsContact CD1-CB 3.46Å; I77-Y104 HydrophobicContact CG2-CD2 4.12Å; I77-C107 HydrophobicContact CG2-CB 4.25Å; I77-P112 HydrophobicContact CG2-CG 3.92Å; I77-P112 WeakPolarHBondContact O-CD 3.17Å
78D83.9Confident84.4Confident71 Ų7143.2 Ų43.238%0.3823%0.233SC..G310 helixtrans-70.7-18.1174.863.3-39000113.7K44 S76 L80K44-D78 PolarHBondContact NZ-O 3.04Å; S76-D78 VanDerWaalsContact C-N 3.31Å; S76-D78 WeakPolarHBondContact CB-OD1 3.25Å; S76-D78 PolarHBondContact O-N 3.46Å; S76-D78 PolarHBondContact OG-OD1 2.69Å; D78-L80 PolarHBondContact O-N 3.05Å
79L83Confident84.4Confident69 Ų6940.5 Ų40.536%0.36122%0.218SC..G310 helixtrans-77.1-8.5168.2-66.5173.5000113L39 K44 R45 S76 I77L39-L79 HydrophobicContact CD2-CD1 4.48Å; L39-L79 HydrophobicContact CD2-CD2 4.12Å; K44-L79 CarbonylContact C-O 3.59Å; K44-L79 WeakPolarHBondContact CA-O 3.44Å; K44-L79 WeakPolarHBondContact CB-O 3.3Å; R45-L79 PolarHBondContact N-O 3.06Å; S76-L79 PolarHBondContact O-N 2.84Å; S76-L79 WeakPolarHBondContact OG-CD1 3.49Å; S76-L79 WeakPolarHBondContact OG-CG 3.37Å; I77-L79 VanDerWaalsContact C-N 3.28Å; I77-L79 PolarHBondContact O-N 3.23Å
80L86.1Confident84.4Confident0 Ų040.6 Ų40.60%022%0.218CC..EExtended strand (participates in β ladder)trans-87.4149.2177.8-56-178.9000111.6K44 R45 V47 I75 I77 D78 I83 P112K44-L80 PolarHBondContact NZ-O 2.85Å; R45-L80 HydrophobicContact CB-CD2 4.35Å; R45-L80 CarbonylContact O-C 3.55Å; R45-L80 WeakPolarHBondContact O-CA 3.37Å; V47-L80 HydrophobicContact CG2-CD1 4.32Å; V47-L80 HydrophobicContact CG2-CD2 3.77Å; I75-L80 HydrophobicContact CD1-CD2 3.64Å; I75-L80 HydrophobicContact CG1-CD2 4.33Å; I77-L80 WeakPolarHBondContact O-CB 3.12Å; I77-L80 PolarHBondContact O-N 3.22Å; I77-L80 VanDerWaalsContact O-N 3.1Å; D78-L80 PolarHBondContact O-N 3.05Å; L80-I83 HydrophobicContact CD1-CD1 3.8Å; L80-I83 HydrophobicContact CD1-CG1 3.91Å; L80-P112 HydrophobicContact CB-CB 3.92Å; L80-P112 HydrophobicContact CB-CG 4.02Å
81N84.9Confident84.4Confident6 Ų639.5 Ų39.53%0.03221%0.212CC..EExtended strand (participates in β ladder)trans-103.4-45.3171.4-15124.2000112.6M31 D34 T35 K44 R45 P112 R113M31-N81 PolarHBondContact O-ND2 3.13Å; D34-N81 WeakPolarHBondContact CB-ND2 3.39Å; D34-N81 PolarHBondContact OD2-ND2 2.78Å; D34-N81 PolarHBondContact OD2-OD1 2.7Å; T35-N81 HydrophobicContact CG2-CB 4.21Å; K44-N81 HydrophobicContact CB-CB 3.79Å; K44-N81 HydrophobicContact CD-CB 3.9Å; K44-N81 WeakPolarHBondContact CD-OD1 3.5Å; K44-N81 HydrophobicContact CG-CB 4.5Å; R45-N81 PolarHBondContact O-N 2.92Å; N81-P112 CarbonylContact O-C 3.6Å; N81-P112 WeakPolarHBondContact O-CA 3.45Å; N81-P112 WeakPolarHBondContact O-CB 3Å; N81-R113 PolarHBondContact O-N 2.94Å
82V88.8Confident84.5Confident0 Ų037.2 Ų37.20%020%0.199CC..EExtended strand (participates in β ladder)trans-136.4136.4179.6-168.90000109.1L27 M31 S46 V47 I84 R113L27-V82 HydrophobicContact CD2-CG1 4.02Å; M31-V82 HydrophobicContact CB-CG2 3.83Å; M31-V82 HydrophobicContact CE-CG2 3.72Å; M31-V82 HydrophobicContact CG-CG2 4.22Å; M31-V82 HydrophobicContact SD-CG2 3.52Å; M31-V82 VanDerWaalsContact SD-CG2 3.52Å; S46-V82 WeakPolarHBondContact CA-O 3.26Å; V47-V82 PolarHBondContact N-O 3.47Å; V82-I84 HydrophobicContact CG1-CD1 4.2Å; V82-I84 HydrophobicContact CG1-CG1 3.71Å; V82-R113 CarbonylContact C-O 3.57Å; V82-R113 WeakPolarHBondContact CA-O 3.44Å; V82-R113 HydrophobicContact CG1-CB 4.38Å; V82-R113 HydrophobicContact CG2-CB 4.33Å
83I91.3Very high84.3Confident0 Ų037.7 Ų37.70%020%0.199CC..EExtended strand (participates in β ladder)trans-116.8120164.3-46.1177.6000107.6L49 L80 F85 P112 R113 L115L49-I83 HydrophobicContact CD1-CG2 4.05Å; L49-I83 HydrophobicContact CG-CG2 4.43Å; L80-I83 HydrophobicContact CD1-CD1 3.8Å; L80-I83 HydrophobicContact CD1-CG1 3.91Å; I83-F85 HydrophobicContact CB-CD2 4.46Å; I83-F85 HydrophobicContact CB-CE2 3.89Å; I83-F85 HydrophobicContact CG2-CD2 3.89Å; I83-F85 HydrophobicContact CG2-CE2 3.35Å; I83-F85 HydrophobicContact CG2-CZ 3.74Å; I83-P112 HydrophobicContact CD1-CG 3.75Å; I83-P112 HydrophobicContact CG1-CB 4.16Å; I83-P112 HydrophobicContact CG1-CG 3.87Å; I83-R113 PolarHBondContact N-O 2.86Å; I83-L115 PolarHBondContact O-N 3.03Å; I83-L115 VanDerWaalsContact O-N 3.07Å
84I90.8Very high84.4Confident0 Ų041.8 Ų41.80%021%0.206CC..EExtended strand (participates in β ladder)trans-105.8127.4175.7-51.4-171.4000107.9A24 L28 V47 F48 L49 V82 L115 L117A24-I84 HydrophobicContact CB-CD1 3.61Å; A24-I84 HydrophobicContact CB-CG2 3.94Å; L28-I84 HydrophobicContact CD1-CD1 3.94Å; L28-I84 HydrophobicContact CD2-CD1 4.09Å; L28-I84 HydrophobicContact CG-CD1 3.77Å; V47-I84 PolarHBondContact O-N 3.42Å; F48-I84 HydrophobicContact CD1-CB 4.11Å; F48-I84 HydrophobicContact CD1-CG2 3.99Å; F48-I84 HydrophobicContact CD2-CB 4.48Å; F48-I84 HydrophobicContact CD2-CD1 4.36Å; F48-I84 HydrophobicContact CD2-CG2 4.47Å; F48-I84 HydrophobicContact CE1-CB 4.46Å; F48-I84 HydrophobicContact CE1-CG2 3.83Å; F48-I84 HydrophobicContact CE2-CG2 4.34Å; F48-I84 HydrophobicContact CG-CB 4.12Å; F48-I84 HydrophobicContact CG-CG2 4.31Å; F48-I84 HydrophobicContact CZ-CG2 4.02Å; L49-I84 WeakPolarHBondContact CB-O 3.23Å; L49-I84 PolarHBondContact N-O 3.49Å; V82-I84 HydrophobicContact CG1-CD1 4.2Å; V82-I84 HydrophobicContact CG1-CG1 3.71Å; I84-L115 WeakPolarHBondContact CA-O 3.32Å; I84-L115 HydrophobicContact CD1-CD2 4.33Å; I84-L115 HydrophobicContact CG1-CB 4.36Å; I84-L115 HydrophobicContact CG2-CB 4.45Å; I84-L115 HydrophobicContact CG2-CD2 4.19Å; I84-L115 HydrophobicContact CG2-CG 4.37Å; I84-L117 HydrophobicContact CG2-CD1 4.17Å; I84-L117 HydrophobicContact CG2-CG 4.46Å
85F90.9Very high84.8Confident0 Ų035.5 Ų35.50%018%0.183CC..EExtended strand (participates in β ladder)trans-112.4111.7179.7-68.6-100.5000109L49 I83 C88 Y97 I100 M101 V114 L115 L117 M142L49-F85 HydrophobicContact CD1-CD1 3.8Å; L49-F85 HydrophobicContact CD1-CE1 3.64Å; L49-F85 HydrophobicContact CD1-CG 4.45Å; L49-F85 HydrophobicContact CD1-CZ 4.19Å; I83-F85 HydrophobicContact CB-CD2 4.46Å; I83-F85 HydrophobicContact CB-CE2 3.89Å; I83-F85 HydrophobicContact CG2-CD2 3.89Å; I83-F85 HydrophobicContact CG2-CE2 3.35Å; I83-F85 HydrophobicContact CG2-CZ 3.74Å; F85-C88 HydrophobicContact CB-CB 3.79Å; F85-Y97 AromaticContact CD1-CD1 3.42Å; F85-Y97 HydrophobicContact CD1-CD1 3.42Å; F85-Y97 VanDerWaalsContact CD1-CD1 3.42Å; F85-Y97 HydrophobicContact CD1-CD2 4.05Å; F85-Y97 AromaticContact CD1-CE1 3.7Å; F85-Y97 HydrophobicContact CD1-CE1 3.7Å; F85-Y97 HydrophobicContact CD1-CE2 4.31Å; F85-Y97 AromaticContact CD1-CG 3.6Å; F85-Y97 HydrophobicContact CD1-CG 3.6Å; F85-Y97 AromaticContact CE1-CD1 3.65Å; F85-Y97 HydrophobicContact CE1-CD1 3.65Å; F85-Y97 HydrophobicContact CE1-CE1 4.29Å; F85-Y97 AromaticContact CE1-CG 3.9Å; F85-Y97 HydrophobicContact CE1-CG 3.9Å; F85-I100 HydrophobicContact CZ-CG2 4.08Å; F85-M101 HydrophobicContact CE2-SD 3.92Å; F85-M101 HydrophobicContact CZ-CG 4.1Å; F85-M101 HydrophobicContact CZ-SD 3.68Å; F85-V114 HydrophobicContact CD2-CG1 4.03Å; F85-V114 HydrophobicContact CE2-CG1 3.94Å; F85-L115 PolarHBondContact N-O 2.89Å; F85-L117 PolarHBondContact O-N 3.38Å; F85-M142 HydrophobicContact CB-CE 4.13Å; F85-M142 HydrophobicContact CD1-CE 4.09Å; F85-M142 HydrophobicContact CD2-CE 3.58Å; F85-M142 HydrophobicContact CE1-CE 4.37Å; F85-M142 HydrophobicContact CE2-CE 3.87Å; F85-M142 HydrophobicContact CG-CE 3.69Å; F85-M142 HydrophobicContact CZ-CE 4.26Å
86D85.4Confident85.1Confident48 Ų4835.3 Ų35.326%0.25718%0.183SC..THydrogen-bonded Turntrans-77154.2167.1-15512.2000111.6F48 L49 C88 Y97F48-D86 HydrophobicContact CE1-CB 4.39Å; L49-D86 PolarHBondContact O-N 3.42Å; L49-D86 VanDerWaalsContact O-N 3.14Å; D86-C88 PolarHBondContact O-N 2.75Å; D86-Y97 VanDerWaalsContact O-CE2 3.31Å; D86-Y97 WeakPolarHBondContact O-CE2 3.22Å; D86-Y97 PolarHBondContact O-OH 3.11Å
87E84.1Confident85.5Confident43 Ų4333.1 Ų33.120%0.20117%0.167CC..THydrogen-bonded Turntrans34.448.1-170.2-67.5-55.6143.400114.7H89 H90 L117 T118 A119E87-H89 PolarHBondContact O-N 3.19Å; E87-H89 PolarHBondContact O-ND1 3.15Å; E87-H89 IonicContact OE2-CE1 3.56Å; E87-H89 PolarHBondContact OE2-CE1 2.92Å; E87-H89 IonicContact OE2-ND1 3.15Å; E87-H89 PolarHBondContact OE2-ND1 3.17Å; E87-H90 PolarHBondContact O-N 2.78Å; E87-L117 CarbonylContact C-O 3.55Å; E87-L117 WeakPolarHBondContact CA-O 3.18Å; E87-L117 PolarHBondContact N-O 2.74Å; E87-T118 PolarHBondContact OE2-OG1 3.4Å; E87-T118 VanDerWaalsContact OE2-OG1 3.1Å; E87-A119 WeakPolarHBondContact OE1-CB 3.43Å; E87-A119 PolarHBondContact OE1-N 3Å; E87-A119 PolarHBondContact OE2-N 2.86Å; E87-A119 VanDerWaalsContact OE2-N 3.08Å
88C87.6Confident85.7Confident0 Ų037.7 Ų37.70%018%0.184CC..G310 helixtrans-59.3-16.4-170.367.40000114.5F85 D86 H90 A91 G116 L117 M142F85-C88 HydrophobicContact CB-CB 3.79Å; D86-C88 PolarHBondContact O-N 2.75Å; C88-H90 PolarHBondContact O-N 3.21Å; C88-A91 VanDerWaalsContact O-CB 3.26Å; C88-A91 WeakPolarHBondContact O-CB 3.34Å; C88-A91 PolarHBondContact O-N 2.61Å; C88-G116 VanDerWaalsContact SG-CA 3.54Å; C88-L117 PolarHBondContact N-O 2.97Å; C88-L117 PolarHBondContact SG-O 2.71Å; C88-M142 HydrophobicContact CB-CE 4.23Å
89H83.3Confident85.8Confident14 Ų1438 Ų387%0.06518%0.183CC..G310 helixtrans-54.9-24.7172.976.3-90.3000112.7E87 A91 T92 T118 N123E87-H89 PolarHBondContact O-N 3.19Å; E87-H89 PolarHBondContact O-ND1 3.15Å; E87-H89 IonicContact OE2-CE1 3.56Å; E87-H89 PolarHBondContact OE2-CE1 2.92Å; E87-H89 IonicContact OE2-ND1 3.15Å; E87-H89 PolarHBondContact OE2-ND1 3.17Å; H89-A91 PolarHBondContact O-N 3.04Å; H89-T92 PolarHBondContact O-N 3.1Å; H89-T92 PolarHBondContact O-OG1 3.4Å; H89-T118 WeakPolarHBondContact CB-OG1 3.29Å; H89-T118 PolarHBondContact ND1-OG1 3.48Å; H89-N123 PolarHBondContact NE2-ND2 3.28Å; H89-N123 VanDerWaalsContact NE2-ND2 3.15Å
90H83.6Confident86.1Confident54 Ų5434.7 Ų34.725%0.2517%0.165CC..G310 helixtrans-59.9-22.9172.2-72.13.6000114.4E87 C88 T92 K93 H95 Y97E87-H90 PolarHBondContact O-N 2.78Å; C88-H90 PolarHBondContact O-N 3.21Å; H90-T92 PolarHBondContact O-N 2.8Å; H90-T92 VanDerWaalsContact O-N 3.17Å; H90-K93 PolarHBondContact O-N 2.79Å; H90-K93 VanDerWaalsContact O-N 3.1Å; H90-H95 HydrophobicContact CB-CB 4.49Å; H90-H95 VanDerWaalsContact O-CB 3.31Å; H90-H95 WeakPolarHBondContact O-CB 3.38Å; H90-Y97 HydrophobicContact CB-CD2 4.19Å; H90-Y97 HydrophobicContact CB-CE2 4.31Å
91A84.9Confident86.3Confident0 Ų034.7 Ų34.70%017%0.166CC..G310 helixtrans-64.6-18.1-178.600000114.5C88 H89 K93 Y97 R98 L138 V141 M142C88-A91 VanDerWaalsContact O-CB 3.26Å; C88-A91 WeakPolarHBondContact O-CB 3.34Å; C88-A91 PolarHBondContact O-N 2.61Å; H89-A91 PolarHBondContact O-N 3.04Å; A91-K93 VanDerWaalsContact C-N 3.3Å; A91-Y97 HydrophobicContact CB-CD2 4.37Å; A91-R98 WeakPolarHBondContact O-CB 3.43Å; A91-L138 HydrophobicContact CB-CD1 4.45Å; A91-V141 HydrophobicContact CB-CG1 4.01Å; A91-M142 HydrophobicContact CB-CG 4.38Å; A91-M142 HydrophobicContact CB-SD 3.42Å; A91-M142 WeakPolarHBondContact CB-SD 3.26Å
92T80Confident86.4Confident33 Ų3337.1 Ų37.120%0.20218%0.183CC..G310 helixtrans-64.8-34.7172.653.50000112.4H89 H90 R98 M137 L138H89-T92 PolarHBondContact O-N 3.1Å; H89-T92 PolarHBondContact O-OG1 3.4Å; H90-T92 PolarHBondContact O-N 2.8Å; H90-T92 VanDerWaalsContact O-N 3.17Å; T92-R98 PolarHBondContact O-NH1 3.49Å; T92-M137 HydrophobicContact CG2-CE 3.95Å; T92-M137 HydrophobicContact CG2-CG 4.4Å; T92-L138 HydrophobicContact CG2-CB 4.03Å; T92-L138 HydrophobicContact CG2-CD1 4Å
93K80.3Confident86.2Confident132 Ų13242.2 Ų42.257%0.57420%0.202SC*.SBendtrans-81.6-177-176.6-58.3177.4-176.9173.70111.3H90 A91 H95 R98H90-K93 PolarHBondContact O-N 2.79Å; H90-K93 VanDerWaalsContact O-N 3.1Å; A91-K93 VanDerWaalsContact C-N 3.3Å; K93-H95 PolarHBondContact O-N 3.4Å; K93-R98 WeakPolarHBondContact O-CD 3.47Å
94N79.9Confident86.1Confident149 Ų14942.9 Ų42.980%0.79721%0.205SC*.SBendtrans-76.164.1169.2-169.920.8000111.1
95H85.6Confident85.9Confident44 Ų4446.9 Ų46.920%0.20422%0.222CC..  trans-108.3150.1-179.4-162.9-120.4000110.4H90 K93 Y97 R98H90-H95 HydrophobicContact CB-CB 4.49Å; H90-H95 VanDerWaalsContact O-CB 3.31Å; H90-H95 WeakPolarHBondContact O-CB 3.38Å; K93-H95 PolarHBondContact O-N 3.4Å; H95-Y97 AromaticContact CE1-CD2 3.74Å; H95-Y97 AromaticContact CE1-CE2 3.72Å; H95-Y97 AromaticContact CE1-CG 3.89Å; H95-Y97 AromaticContact CE1-CZ 3.89Å; H95-Y97 AromaticContact ND1-CD1 3.8Å; H95-Y97 AromaticContact ND1-CD2 3.2Å; H95-Y97 WeakPolarHBondContact ND1-CD2 3.34Å; H95-Y97 AromaticContact ND1-CE2 3.67Å; H95-Y97 AromaticContact ND1-CG 3.26Å; H95-Y97 VanDerWaalsContact ND1-CG 3.26Å; H95-Y97 PolarHBondContact O-N 3.47Å; H95-R98 WeakPolarHBondContact O-CB 3.4Å; H95-R98 PolarHBondContact O-N 3.04Å
96P85.7Confident85.5Confident18 Ų1852.5 Ų52.512%0.11725%0.248CC..Hα-helixtrans-56.2-27.1178.8-27.536.9000113.9A63 Q64 M67 R98 Q99 I100A63-P96 HydrophobicContact CB-CB 3.95Å; A63-P96 HydrophobicContact CB-CG 4.45Å; Q64-P96 VanDerWaalsContact OE1-CG 3.24Å; M67-P96 HydrophobicContact CB-CB 4.39Å; P96-R98 VanDerWaalsContact C-N 3.27Å; P96-R98 PolarHBondContact O-N 3.07Å; P96-Q99 WeakPolarHBondContact O-CB 3.46Å; P96-Q99 PolarHBondContact O-N 3.05Å; P96-I100 WeakPolarHBondContact O-CG1 2.97Å; P96-I100 PolarHBondContact O-N 3.11Å
97Y91.2Very high85.3Confident3 Ų351 Ų511%0.01224%0.242CC..Hα-helixtrans-50.5-44.4169.8-66.4-15.4000113.2L49 A63 F85 D86 H90 A91 H95 Q99 I100 M101L49-Y97 HydrophobicContact CB-CE1 3.94Å; L49-Y97 HydrophobicContact CD1-CD1 4.19Å; L49-Y97 HydrophobicContact CD1-CE1 3.98Å; A63-Y97 HydrophobicContact CB-CD1 3.56Å; A63-Y97 HydrophobicContact CB-CE1 3.39Å; F85-Y97 AromaticContact CD1-CD1 3.42Å; F85-Y97 HydrophobicContact CD1-CD1 3.42Å; F85-Y97 VanDerWaalsContact CD1-CD1 3.42Å; F85-Y97 HydrophobicContact CD1-CD2 4.05Å; F85-Y97 AromaticContact CD1-CE1 3.7Å; F85-Y97 HydrophobicContact CD1-CE1 3.7Å; F85-Y97 HydrophobicContact CD1-CE2 4.31Å; F85-Y97 AromaticContact CD1-CG 3.6Å; F85-Y97 HydrophobicContact CD1-CG 3.6Å; F85-Y97 AromaticContact CE1-CD1 3.65Å; F85-Y97 HydrophobicContact CE1-CD1 3.65Å; F85-Y97 HydrophobicContact CE1-CE1 4.29Å; F85-Y97 AromaticContact CE1-CG 3.9Å; F85-Y97 HydrophobicContact CE1-CG 3.9Å; D86-Y97 VanDerWaalsContact O-CE2 3.31Å; D86-Y97 WeakPolarHBondContact O-CE2 3.22Å; D86-Y97 PolarHBondContact O-OH 3.11Å; H90-Y97 HydrophobicContact CB-CD2 4.19Å; H90-Y97 HydrophobicContact CB-CE2 4.31Å; A91-Y97 HydrophobicContact CB-CD2 4.37Å; H95-Y97 AromaticContact CE1-CD2 3.74Å; H95-Y97 AromaticContact CE1-CE2 3.72Å; H95-Y97 AromaticContact CE1-CG 3.89Å; H95-Y97 AromaticContact CE1-CZ 3.89Å; H95-Y97 AromaticContact ND1-CD1 3.8Å; H95-Y97 AromaticContact ND1-CD2 3.2Å; H95-Y97 WeakPolarHBondContact ND1-CD2 3.34Å; H95-Y97 AromaticContact ND1-CE2 3.67Å; H95-Y97 AromaticContact ND1-CG 3.26Å; H95-Y97 VanDerWaalsContact ND1-CG 3.26Å; H95-Y97 PolarHBondContact O-N 3.47Å; Y97-Q99 VanDerWaalsContact C-N 3.26Å; Y97-Q99 PolarHBondContact O-N 3.22Å; Y97-I100 PolarHBondContact O-N 2.9Å; Y97-M101 WeakPolarHBondContact O-CB 3.41Å; Y97-M101 WeakPolarHBondContact O-CG 3.3Å; Y97-M101 PolarHBondContact O-N 3.3Å
98R88.1Confident84.7Confident107 Ų10754.1 Ų54.140%0.40428%0.275SS..Hα-helixtrans-62.7-36.6178.8-168173.2174129.72.7111.5A91 T92 K93 H95 P96 M101 S102 V141A91-R98 WeakPolarHBondContact O-CB 3.43Å; T92-R98 PolarHBondContact O-NH1 3.49Å; K93-R98 WeakPolarHBondContact O-CD 3.47Å; H95-R98 WeakPolarHBondContact O-CB 3.4Å; H95-R98 PolarHBondContact O-N 3.04Å; P96-R98 VanDerWaalsContact C-N 3.27Å; P96-R98 PolarHBondContact O-N 3.07Å; R98-M101 PolarHBondContact O-N 3.25Å; R98-S102 PolarHBondContact O-N 2.85Å; R98-S102 PolarHBondContact O-OG 2.8Å; R98-V141 HydrophobicContact CG-CG1 4.34Å
99Q86.9Confident84Confident77 Ų7756 Ų5636%0.3629%0.294SS..Hα-helixtrans-75.8-40.5-177.7-48.2-179.38.200111.3M67 P96 Y97 M101 S102 R103M67-Q99 HydrophobicContact CE-CB 3.41Å; M67-Q99 VanDerWaalsContact CE-CB 3.41Å; M67-Q99 HydrophobicContact CG-CB 4.4Å; M67-Q99 HydrophobicContact SD-CB 3.68Å; P96-Q99 WeakPolarHBondContact O-CB 3.46Å; P96-Q99 PolarHBondContact O-N 3.05Å; Y97-Q99 VanDerWaalsContact C-N 3.26Å; Y97-Q99 PolarHBondContact O-N 3.22Å; Q99-M101 VanDerWaalsContact C-N 3.3Å; Q99-M101 PolarHBondContact O-N 2.82Å; Q99-S102 PolarHBondContact O-N 3.38Å; Q99-R103 PolarHBondContact O-N 2.89Å
100I89.3Confident83.8Confident0 Ų062.4 Ų62.40%032%0.321CS..Hα-helixtrans-57.8-45169.1-65158.7000110L49 L66 M67 I70 F85 P96 Y97 S102 R103 Y104L49-I100 HydrophobicContact CD1-CD1 3.94Å; L66-I100 HydrophobicContact CB-CD1 4.36Å; L66-I100 HydrophobicContact CD2-CD1 4.14Å; L66-I100 HydrophobicContact CD2-CG2 4.15Å; M67-I100 HydrophobicContact CB-CD1 4.4Å; M67-I100 HydrophobicContact CB-CG1 4.08Å; M67-I100 HydrophobicContact SD-CG1 3.85Å; I70-I100 HydrophobicContact CD1-CG2 4.38Å; F85-I100 HydrophobicContact CZ-CG2 4.08Å; P96-I100 WeakPolarHBondContact O-CG1 2.97Å; P96-I100 PolarHBondContact O-N 3.11Å; Y97-I100 PolarHBondContact O-N 2.9Å; I100-S102 PolarHBondContact O-N 3.46Å; I100-R103 PolarHBondContact O-N 3.29Å; I100-Y104 PolarHBondContact O-N 3.12Å
101M90.2Very high83.9Confident1 Ų165 Ų651%0.00533%0.329CS..Hα-helixtrans-70.5-26.8179.6-70.3-52.3-52.500114.1F85 Y97 R98 Q99 Y104 K105 V114 V141 M142 C143F85-M101 HydrophobicContact CE2-SD 3.92Å; F85-M101 HydrophobicContact CZ-CG 4.1Å; F85-M101 HydrophobicContact CZ-SD 3.68Å; Y97-M101 WeakPolarHBondContact O-CB 3.41Å; Y97-M101 WeakPolarHBondContact O-CG 3.3Å; Y97-M101 PolarHBondContact O-N 3.3Å; R98-M101 PolarHBondContact O-N 3.25Å; Q99-M101 VanDerWaalsContact C-N 3.3Å; Q99-M101 PolarHBondContact O-N 2.82Å; M101-Y104 HydrophobicContact CE-CD1 3.4Å; M101-Y104 HydrophobicContact CE-CD2 4.43Å; M101-Y104 HydrophobicContact CE-CE1 3.94Å; M101-Y104 HydrophobicContact CE-CG 3.69Å; M101-Y104 PolarHBondContact O-N 2.85Å; M101-Y104 HydrophobicContact SD-CG 4.33Å; M101-K105 WeakPolarHBondContact O-CG 3.2Å; M101-K105 PolarHBondContact O-N 3.16Å; M101-K105 VanDerWaalsContact O-N 3.12Å; M101-V114 HydrophobicContact CE-CG2 4.41Å; M101-V114 HydrophobicContact SD-CG2 4.49Å; M101-V141 WeakPolarHBondContact CB-O 3.14Å; M101-M142 VanDerWaalsContact CE-O 3.29Å; M101-M142 WeakPolarHBondContact CE-O 3.46Å; M101-M142 HydrophobicContact CG-CE 4.43Å; M101-M142 HydrophobicContact CG-SD 3.98Å; M101-M142 HydrophobicContact SD-CE 4.47Å; M101-C143 HydrophobicContact CE-CB 4.4Å
102S87.1Confident84Confident57 Ų5765.2 Ų65.240%0.39933%0.33SS..Hα-helixtrans-62.2-49.4166.2-67.80000111.1R98 Q99 I100 Y104 K105 E106R98-S102 PolarHBondContact O-N 2.85Å; R98-S102 PolarHBondContact O-OG 2.8Å; Q99-S102 PolarHBondContact O-N 3.38Å; I100-S102 PolarHBondContact O-N 3.46Å; S102-Y104 VanDerWaalsContact C-N 3.27Å; S102-Y104 PolarHBondContact O-N 2.94Å; S102-K105 WeakPolarHBondContact O-CB 3.3Å; S102-K105 PolarHBondContact O-N 2.96Å; S102-E106 WeakPolarHBondContact O-CG 3.41Å; S102-E106 PolarHBondContact O-N 3.22Å
103R84.9Confident84.5Confident107 Ų10767 Ų6740%0.40433%0.333SS..Hα-helixtrans-61.8-34.2176.3-62.5-52.3-161.5-178.94.2112.6I70 I77 Q99 I100 K105 E106 C107I70-R103 HydrophobicContact CG2-CB 4.22Å; I70-R103 HydrophobicContact CG2-CG 4.04Å; I77-R103 VanDerWaalsContact CD1-C 3.4Å; I77-R103 HydrophobicContact CD1-CB 3.46Å; I77-R103 VanDerWaalsContact CD1-CB 3.46Å; Q99-R103 PolarHBondContact O-N 2.89Å; I100-R103 PolarHBondContact O-N 3.29Å; R103-K105 VanDerWaalsContact C-N 3.33Å; R103-K105 PolarHBondContact O-N 3.06Å; R103-E106 WeakPolarHBondContact CD-OE2 3.28Å; R103-E106 IonicContact CZ-OE2 2.83Å; R103-E106 IonicContact NE-OE2 2.74Å; R103-E106 IonicContact NH1-OE1 3.79Å; R103-E106 IonicContact NH1-OE2 3.27Å; R103-E106 PolarHBondContact NH1-OE2 2.9Å; R103-E106 PolarHBondContact O-N 3.31Å; R103-C107 PolarHBondContact O-N 3Å; R103-C107 VanDerWaalsContact O-N 3.11Å
104Y89.4Confident85.1Confident13 Ų1360.7 Ų60.75%0.05131%0.306CS..Hα-helixtrans-62.7-37.8172.9176-86.3000112.6N9 I77 I100 M101 S102 C107 R111 P112 V114 C143N9-Y104 PolarHBondContact ND2-OH 2.82Å; I77-Y104 HydrophobicContact CG2-CD2 4.12Å; I100-Y104 PolarHBondContact O-N 3.12Å; M101-Y104 HydrophobicContact CE-CD1 3.4Å; M101-Y104 HydrophobicContact CE-CD2 4.43Å; M101-Y104 HydrophobicContact CE-CE1 3.94Å; M101-Y104 HydrophobicContact CE-CG 3.69Å; M101-Y104 PolarHBondContact O-N 2.85Å; M101-Y104 HydrophobicContact SD-CG 4.33Å; S102-Y104 VanDerWaalsContact C-N 3.27Å; S102-Y104 PolarHBondContact O-N 2.94Å; Y104-C107 WeakPolarHBondContact O-CB 3.28Å; Y104-C107 PolarHBondContact O-N 3.43Å; Y104-R111 HydrophobicContact CE2-CB 3.85Å; Y104-R111 HydrophobicContact CE2-CG 4.47Å; Y104-R111 PolarHBondContact O-NE 2.99Å; Y104-P112 HydrophobicContact CD2-CG 3.99Å; Y104-P112 HydrophobicContact CE2-CG 3.81Å; Y104-P112 WeakPolarHBondContact CE2-O 3Å; Y104-P112 PolarHBondContact OH-O 3.4Å; Y104-V114 HydrophobicContact CD2-CG2 4.23Å; Y104-V114 HydrophobicContact CE1-CG2 4.48Å; Y104-V114 HydrophobicContact CE2-CG2 3.61Å; Y104-C143 HydrophobicContact CE1-CB 4.02Å
105K85Confident85.7Confident84 Ų8453.7 Ų53.737%0.36527%0.268SS..Hα-helixtrans-72.4-30.8176.1-71.1167.3178-179.50112.8M101 S102 R103 C107 R111 S140 V141 C143M101-K105 WeakPolarHBondContact O-CG 3.2Å; M101-K105 PolarHBondContact O-N 3.16Å; M101-K105 VanDerWaalsContact O-N 3.12Å; S102-K105 WeakPolarHBondContact O-CB 3.3Å; S102-K105 PolarHBondContact O-N 2.96Å; R103-K105 VanDerWaalsContact C-N 3.33Å; R103-K105 PolarHBondContact O-N 3.06Å; K105-C107 VanDerWaalsContact C-N 3.3Å; K105-R111 PolarHBondContact O-NH2 2.79Å; K105-S140 WeakPolarHBondContact CE-O 3.46Å; K105-S140 PolarHBondContact NZ-O 2.82Å; K105-V141 WeakPolarHBondContact CE-O 3.45Å; K105-V141 PolarHBondContact NZ-O 3.43Å; K105-C143 WeakPolarHBondContact CE-SG 3.26Å
106E83.3Confident85.9Confident118 Ų11851.6 Ų51.655%0.55126%0.259SS*.Hα-helixtrans-72.4-20.7172.6-67.2163.2-159.300112.8S102 R103 A108S102-E106 WeakPolarHBondContact O-CG 3.41Å; S102-E106 PolarHBondContact O-N 3.22Å; R103-E106 WeakPolarHBondContact CD-OE2 3.28Å; R103-E106 IonicContact CZ-OE2 2.83Å; R103-E106 IonicContact NE-OE2 2.74Å; R103-E106 IonicContact NH1-OE1 3.79Å; R103-E106 IonicContact NH1-OE2 3.27Å; R103-E106 PolarHBondContact NH1-OE2 2.9Å; R103-E106 PolarHBondContact O-N 3.31Å; E106-A108 PolarHBondContact O-N 2.82Å
107C80.8Confident85.8Confident17 Ų1750.8 Ų50.812%0.11525%0.253CS..  trans-65.4117.3-179.7-179.10000112.2I77 R103 Y104 K105 R111I77-C107 HydrophobicContact CG2-CB 4.25Å; R103-C107 PolarHBondContact O-N 3Å; R103-C107 VanDerWaalsContact O-N 3.11Å; Y104-C107 WeakPolarHBondContact O-CB 3.28Å; Y104-C107 PolarHBondContact O-N 3.43Å; K105-C107 VanDerWaalsContact C-N 3.3Å; C107-R111 HydrophobicContact CB-CG 4.24Å; C107-R111 PolarHBondContact O-NE 2.81Å; C107-R111 PolarHBondContact O-NH2 2.84Å
108A71.9Confident85.4Confident109 Ų10950.6 Ų50.690%0.90125%0.253SS*.  trans-88-18174.300000114E106E106-A108 PolarHBondContact O-N 2.82Å
109G72.6Confident84.5Confident38 Ų3847.2 Ų47.239%0.39225%0.247SC..SBendtrans-78.8-174.5176.100000113.9R111G109-R111 PolarHBondContact O-N 2.92Å
110K78.5Confident83.7Confident149 Ų14944.5 Ų44.565%0.64824%0.237SC*.  trans-64.992177-175.6-175.5176.2-173.20110.7K44K44-K110 PolarHBondContact NZ-O 3.12Å
111R85.7Confident82.9Confident110 Ų11045.4 Ų45.442%0.41524%0.242SC..PPolyproline II helixtrans-54.2143179.3-63.9-177.8-176.7-179.5-5.1111.9Y104 K105 C107 G109Y104-R111 HydrophobicContact CE2-CB 3.85Å; Y104-R111 HydrophobicContact CE2-CG 4.47Å; Y104-R111 PolarHBondContact O-NE 2.99Å; K105-R111 PolarHBondContact O-NH2 2.79Å; C107-R111 HydrophobicContact CB-CG 4.24Å; C107-R111 PolarHBondContact O-NE 2.81Å; C107-R111 PolarHBondContact O-NH2 2.84Å; G109-R111 PolarHBondContact O-N 2.92Å
112P88.1Confident81.8Confident3 Ų346.2 Ų46.22%0.01925%0.247CC..PPolyproline II helixtrans-69.2161.6174.826.7-32.5000112.4I77 L80 N81 I83 Y104I77-P112 HydrophobicContact CG2-CG 3.92Å; I77-P112 WeakPolarHBondContact O-CD 3.17Å; L80-P112 HydrophobicContact CB-CB 3.92Å; L80-P112 HydrophobicContact CB-CG 4.02Å; N81-P112 CarbonylContact O-C 3.6Å; N81-P112 WeakPolarHBondContact O-CA 3.45Å; N81-P112 WeakPolarHBondContact O-CB 3Å; I83-P112 HydrophobicContact CD1-CG 3.75Å; I83-P112 HydrophobicContact CG1-CB 4.16Å; I83-P112 HydrophobicContact CG1-CG 3.87Å; Y104-P112 HydrophobicContact CD2-CG 3.99Å; Y104-P112 HydrophobicContact CE2-CG 3.81Å; Y104-P112 WeakPolarHBondContact CE2-O 3Å; Y104-P112 PolarHBondContact OH-O 3.4Å
113R90.7Very high80.5Confident70 Ų7048.9 Ų48.926%0.26426%0.257SS..EExtended strand (participates in β ladder)trans-67.8138.4166.7-168.268.367.6-1639.1109.6A5 I6 N7 N9 M31 N81 V82 I83A5-R113 VanDerWaalsContact O-CD 3.3Å; A5-R113 WeakPolarHBondContact O-CD 3.43Å; I6-R113 PolarHBondContact O-NE 2.99Å; I6-R113 PolarHBondContact O-NH2 3.12Å; N7-R113 PolarHBondContact O-NH1 3.42Å; N7-R113 PolarHBondContact O-NH2 3.35Å; N9-R113 WeakPolarHBondContact OD1-CD 3.48Å; M31-R113 HydrophobicContact CE-CB 4Å; M31-R113 HydrophobicContact SD-CB 3.98Å; M31-R113 HydrophobicContact SD-CG 4.09Å; N81-R113 PolarHBondContact O-N 2.94Å; V82-R113 CarbonylContact C-O 3.57Å; V82-R113 WeakPolarHBondContact CA-O 3.44Å; V82-R113 HydrophobicContact CG1-CB 4.38Å; V82-R113 HydrophobicContact CG2-CB 4.33Å; I83-R113 PolarHBondContact N-O 2.86Å
114V92Very high79.6Confident1 Ų147.2 Ų47.21%0.00626%0.262CS..EExtended strand (participates in β ladder)trans-112.5125.5175.5179.90000109.8N9 I10 F85 M101 Y104 M142N9-V114 VanDerWaalsContact CA-O 3.29Å; N9-V114 WeakPolarHBondContact CA-O 3.48Å; N9-V114 HydrophobicContact CB-CB 4.21Å; N9-V114 PolarHBondContact OD1-N 2.93Å; I10-V114 PolarHBondContact N-O 3.11Å; F85-V114 HydrophobicContact CD2-CG1 4.03Å; F85-V114 HydrophobicContact CE2-CG1 3.94Å; M101-V114 HydrophobicContact CE-CG2 4.41Å; M101-V114 HydrophobicContact SD-CG2 4.49Å; Y104-V114 HydrophobicContact CD2-CG2 4.23Å; Y104-V114 HydrophobicContact CE1-CG2 4.48Å; Y104-V114 HydrophobicContact CE2-CG2 3.61Å; V114-M142 HydrophobicContact CG1-CE 3.99Å
115L92Very high78.5Confident1 Ų152 Ų521%0.00529%0.285CS..EExtended strand (participates in β ladder)trans-119.3117.3169.5175.362.6000108.9A5 I10 V12 I23 A24 L27 I83 I84 F85 L117A5-L115 HydrophobicContact CB-CD1 4.41Å; I10-L115 HydrophobicContact CD1-CD1 4.33Å; I10-L115 HydrophobicContact CG1-CD1 3.73Å; I10-L115 WeakPolarHBondContact O-CA 3.32Å; V12-L115 HydrophobicContact CG2-CD1 3.91Å; I23-L115 HydrophobicContact CG2-CD2 4.45Å; A24-L115 HydrophobicContact CB-CD2 4.18Å; L27-L115 HydrophobicContact CD2-CB 3.99Å; L27-L115 HydrophobicContact CD2-CD2 3.81Å; L27-L115 HydrophobicContact CD2-CG 4.46Å; I83-L115 PolarHBondContact O-N 3.03Å; I83-L115 VanDerWaalsContact O-N 3.07Å; I84-L115 WeakPolarHBondContact CA-O 3.32Å; I84-L115 HydrophobicContact CD1-CD2 4.33Å; I84-L115 HydrophobicContact CG1-CB 4.36Å; I84-L115 HydrophobicContact CG2-CB 4.45Å; I84-L115 HydrophobicContact CG2-CD2 4.19Å; I84-L115 HydrophobicContact CG2-CG 4.37Å; F85-L115 PolarHBondContact N-O 2.89Å; L115-L117 HydrophobicContact CD1-CD2 4.37Å; L115-L117 HydrophobicContact CD2-CD2 4.26Å; L115-L117 HydrophobicContact CG-CD2 4.26Å; L115-L117 HydrophobicContact CG-CG 4.44Å
116G90.1Very high77.9Confident0 Ų048.9 Ų48.90%027%0.273CS..EExtended strand (participates in β ladder)trans-92.3131.7166.400000111I10 I11 V12 C88I10-G116 PolarHBondContact O-N 2.88Å; I11-G116 CarbonylContact C-O 3.59Å; I11-G116 WeakPolarHBondContact CA-O 3.35Å; V12-G116 PolarHBondContact N-O 2.8Å; C88-G116 VanDerWaalsContact SG-CA 3.54Å
117L85.3Confident77.4Confident1 Ų146.7 Ų46.71%0.00527%0.267CS..EExtended strand (participates in β ladder)trans-111.4143.2167.3-61.7177.9000108.2V12 K20 A24 F48 I84 F85 E87 C88 L115V12-L117 HydrophobicContact CB-CD2 4.24Å; K20-L117 HydrophobicContact CB-CD1 4.3Å; K20-L117 HydrophobicContact CB-CD2 4.36Å; K20-L117 HydrophobicContact CD-CB 4.32Å; A24-L117 HydrophobicContact CB-CD1 4.08Å; F48-L117 HydrophobicContact CZ-CD1 4.29Å; I84-L117 HydrophobicContact CG2-CD1 4.17Å; I84-L117 HydrophobicContact CG2-CG 4.46Å; F85-L117 PolarHBondContact O-N 3.38Å; E87-L117 CarbonylContact C-O 3.55Å; E87-L117 WeakPolarHBondContact CA-O 3.18Å; E87-L117 PolarHBondContact N-O 2.74Å; C88-L117 PolarHBondContact N-O 2.97Å; C88-L117 PolarHBondContact SG-O 2.71Å; L115-L117 HydrophobicContact CD1-CD2 4.37Å; L115-L117 HydrophobicContact CD2-CD2 4.26Å; L115-L117 HydrophobicContact CG-CD2 4.26Å; L115-L117 HydrophobicContact CG-CG 4.44Å
118T82.5Confident76.8Confident0 Ų046.2 Ų46.20%027%0.265CS..EExtended strand (participates in β ladder)trans-160.5147176.6-163.90000111.6I11 V12 P13 L14 E87 H89 S120I11-T118 HydrophobicContact CG2-CG2 4.27Å; V12-T118 PolarHBondContact O-N 2.77Å; P13-T118 WeakPolarHBondContact CA-O 3.35Å; P13-T118 HydrophobicContact CB-CG2 4.09Å; L14-T118 PolarHBondContact N-O 2.99Å; L14-T118 VanDerWaalsContact O-O 3.14Å; E87-T118 PolarHBondContact OE2-OG1 3.4Å; E87-T118 VanDerWaalsContact OE2-OG1 3.1Å; H89-T118 WeakPolarHBondContact CB-OG1 3.29Å; H89-T118 PolarHBondContact ND1-OG1 3.48Å; T118-S120 VanDerWaalsContact CG2-O 3.24Å; T118-S120 WeakPolarHBondContact CG2-O 3.35Å; T118-S120 PolarHBondContact OG1-O 3.09Å
119A68.3Low76.9Confident35 Ų3547.3 Ų47.329%0.28926%0.255SS..SBendtrans-69.3-35.8173.400000112.6L14 E87L14-A119 WeakPolarHBondContact O-CA 3.25Å; E87-A119 WeakPolarHBondContact OE1-CB 3.43Å; E87-A119 PolarHBondContact OE1-N 3Å; E87-A119 PolarHBondContact OE2-N 2.86Å; E87-A119 VanDerWaalsContact OE2-N 3.08Å
120S70.3Confident77.2Confident21 Ų2149.1 Ų49.115%0.14725%0.253CS..  trans-150.2161.2175-176.30000109.8T118 V122 N123T118-S120 VanDerWaalsContact CG2-O 3.24Å; T118-S120 WeakPolarHBondContact CG2-O 3.35Å; T118-S120 PolarHBondContact OG1-O 3.09Å; S120-V122 PolarHBondContact OG-N 3.33Å; S120-V122 VanDerWaalsContact OG-N 3.15Å; S120-V122 PolarHBondContact OG-O 3.42Å; S120-N123 WeakPolarHBondContact CB-OD1 3.28Å
121V71.5Confident77.1Confident18 Ų1842.2 Ų42.211%0.10922%0.223CC..SBendtrans-78.1-32.3167-174.80000110.7P13 M135 L138 I146P13-V121 HydrophobicContact CB-CG2 4.1Å; P13-V121 HydrophobicContact CG-CG2 4.41Å; V121-M135 HydrophobicContact CG1-CG 4Å; V121-L138 HydrophobicContact CG1-CD2 4.08Å; V121-I146 HydrophobicContact CG1-CD1 4.25Å; V121-I146 HydrophobicContact CG2-CD1 4.33Å; V121-I146 HydrophobicContact CG2-CG2 4.39Å
122V68.5Low76.7Confident18 Ų1840.1 Ų40.111%0.10922%0.217CC..  trans-138.1134.6-175.7-173.20000110.9S120 S124 V126 L131 Q134S120-V122 PolarHBondContact OG-N 3.33Å; S120-V122 VanDerWaalsContact OG-N 3.15Å; S120-V122 PolarHBondContact OG-O 3.42Å; V122-S124 WeakPolarHBondContact CG1-O 3.29Å; V122-V126 HydrophobicContact CG1-CG1 4.12Å; V122-V126 HydrophobicContact CG1-CG2 4.04Å; V122-L131 HydrophobicContact CB-CD1 4.43Å; V122-L131 HydrophobicContact CG2-CD1 3.46Å; V122-L131 VanDerWaalsContact CG2-CD1 3.46Å; V122-Q134 HydrophobicContact CG2-CB 4.31Å
123N60.1Low76.4Confident113 Ų11345.1 Ų45.160%0.60424%0.243SC*.SBendtrans-110.518.5-176.3-67.9-17.5000113.4H89 S120H89-N123 PolarHBondContact NE2-ND2 3.28Å; H89-N123 VanDerWaalsContact NE2-ND2 3.15Å; S120-N123 WeakPolarHBondContact CB-OD1 3.28Å
124S65Low76Confident72 Ų7244 Ų4450%0.50324%0.241SC..SBendtrans-144.1152.3-175.649.60000110.7V122 V126V122-S124 WeakPolarHBondContact CG1-O 3.29Å; S124-V126 PolarHBondContact O-N 2.94Å
125H65.7Low75.5Confident114 Ų11444.2 Ų44.253%0.52824%0.242SC..  trans-65.3122.5174.1-51.2-72.7000110.3Y460H125-Y460 AromaticContact CE1-CZ 3.99Å; H125-Y460 PolarHBondContact CE1-OH 3.38Å; H125-Y460 VanDerWaalsContact CE1-OH 3.3Å; H125-Y460 AromaticContact ND1-CE1 3.5Å; H125-Y460 WeakPolarHBondContact ND1-CE1 3.25Å; H125-Y460 AromaticContact ND1-CZ 3.91Å
126V72.5Confident75.1Confident19 Ų1945.7 Ų45.712%0.11526%0.257CS..  trans-135.6164.7177-62.10000110.4V122 S124 E130 L131 S459 M463V122-V126 HydrophobicContact CG1-CG1 4.12Å; V122-V126 HydrophobicContact CG1-CG2 4.04Å; S124-V126 PolarHBondContact O-N 2.94Å; V126-E130 HydrophobicContact CB-CB 4.01Å; V126-E130 HydrophobicContact CB-CG 3.78Å; V126-E130 HydrophobicContact CG1-CG 3.81Å; V126-L131 HydrophobicContact CG2-CB 4.04Å; V126-S459 PolarHBondContact O-OG 2.92Å; V126-M463 HydrophobicContact CG2-CG 4.33Å; V126-M463 HydrophobicContact CG2-SD 3.42Å; V126-M463 WeakPolarHBondContact CG2-SD 3.45Å
127T72.7Confident74.8Confident71 Ų7149.4 Ų49.444%0.43628%0.275SS..  trans-81163.5170.657.50000110.3I129 E130 L131T127-I129 VanDerWaalsContact C-N 3.25Å; T127-I129 PolarHBondContact O-N 3.29Å; T127-E130 PolarHBondContact O-N 2.76Å; T127-L131 PolarHBondContact O-N 2.71Å
128G68.1Low74.9Confident7 Ų749.4 Ų49.47%0.07228%0.275CS..Hα-helixtrans-55.6-38.7177.800000113.5L131 K132G128-L131 WeakPolarHBondContact O-CB 3.36Å; G128-L131 PolarHBondContact O-N 2.84Å; G128-K132 PolarHBondContact O-N 2.82Å
129I75.3Confident75.1Confident132 Ų13251.2 Ų51.268%0.67728%0.284SS*.Hα-helixtrans-63.7-45.8178.3-58.7174000111.3T127 L131 K132 L133T127-I129 VanDerWaalsContact C-N 3.25Å; T127-I129 PolarHBondContact O-N 3.29Å; I129-L131 VanDerWaalsContact C-N 3.32Å; I129-L131 PolarHBondContact O-N 2.94Å; I129-K132 PolarHBondContact O-N 2.87Å; I129-L133 HydrophobicContact CG2-CD1 4.46Å; I129-L133 WeakPolarHBondContact O-CG 3.37Å; I129-L133 PolarHBondContact O-N 2.95Å
130E77.8Confident76Confident76 Ų7653.4 Ų53.436%0.35530%0.297SS..Hα-helixtrans-66.7-35.4178.5178.862.3-155.500111.2V126 T127 L133 Q134V126-E130 HydrophobicContact CB-CB 4.01Å; V126-E130 HydrophobicContact CB-CG 3.78Å; V126-E130 HydrophobicContact CG1-CG 3.81Å; T127-E130 PolarHBondContact O-N 2.76Å; E130-L133 PolarHBondContact O-N 2.92Å; E130-Q134 WeakPolarHBondContact O-CG 3.4Å; E130-Q134 PolarHBondContact O-N 3.29Å; E130-Q134 PolarHBondContact OE1-NE2 2.96Å
131L77.2Confident76.9Confident5 Ų553 Ų533%0.02629%0.293CS..Hα-helixtrans-61.1-46.3170.5176.560.3000111.8V122 V126 T127 G128 I129 L133 Q134 M135 M463 L467V122-L131 HydrophobicContact CB-CD1 4.43Å; V122-L131 HydrophobicContact CG2-CD1 3.46Å; V122-L131 VanDerWaalsContact CG2-CD1 3.46Å; V126-L131 HydrophobicContact CG2-CB 4.04Å; T127-L131 PolarHBondContact O-N 2.71Å; G128-L131 WeakPolarHBondContact O-CB 3.36Å; G128-L131 PolarHBondContact O-N 2.84Å; I129-L131 VanDerWaalsContact C-N 3.32Å; I129-L131 PolarHBondContact O-N 2.94Å; L131-L133 VanDerWaalsContact C-N 3.3Å; L131-L133 PolarHBondContact O-N 2.89Å; L131-Q134 PolarHBondContact O-N 2.88Å; L131-M135 HydrophobicContact CD1-CG 4.01Å; L131-M135 HydrophobicContact CD1-SD 4.13Å; L131-M135 HydrophobicContact CG-CG 4.36Å; L131-M135 HydrophobicContact CG-SD 4Å; L131-M135 WeakPolarHBondContact O-CB 3.19Å; L131-M135 WeakPolarHBondContact O-CG 3.44Å; L131-M135 PolarHBondContact O-N 2.94Å; L131-M463 HydrophobicContact CB-CG 4.16Å; L131-M463 HydrophobicContact CD2-CB 3.6Å; L131-M463 HydrophobicContact CD2-CG 3.6Å; L131-M463 HydrophobicContact CD2-SD 4.16Å; L131-M463 HydrophobicContact CG-CG 4.5Å; L131-L467 HydrophobicContact CD2-CD1 3.94Å; L131-L467 HydrophobicContact CD2-CG 3.96Å
132K78Confident77.7Confident65 Ų6552.1 Ų52.128%0.28329%0.288SS..Hα-helixtrans-58.6-41.5176.8-158.5-169.9-168.769.60111.7G128 I129 G136 E466 E473G128-K132 PolarHBondContact O-N 2.82Å; I129-K132 PolarHBondContact O-N 2.87Å; K132-G136 PolarHBondContact O-N 3.06Å; K132-E466 HydrophobicContact CB-CG 4.06Å; K132-E466 VanDerWaalsContact CD-OE1 3.25Å; K132-E466 WeakPolarHBondContact CD-OE1 3.37Å; K132-E466 WeakPolarHBondContact CE-OE1 3.47Å; K132-E466 HydrophobicContact CG-CG 4.4Å; K132-E466 IonicContact NZ-OE1 3.29Å; K132-E466 PolarHBondContact NZ-OE1 3.47Å; K132-E473 IonicContact NZ-OE1 3.23Å; K132-E473 PolarHBondContact NZ-OE1 2.93Å; K132-E473 IonicContact NZ-OE2 2.71Å; K132-E473 PolarHBondContact NZ-OE2 3.21Å
133L81.8Confident78.6Confident109 Ų10953.6 Ų53.657%0.57130%0.299SS*.Hα-helixtrans-64.9-42.6175.9-69.5172.1000112.4I129 E130 L131 M137I129-L133 HydrophobicContact CG2-CD1 4.46Å; I129-L133 WeakPolarHBondContact O-CG 3.37Å; I129-L133 PolarHBondContact O-N 2.95Å; E130-L133 PolarHBondContact O-N 2.92Å; L131-L133 VanDerWaalsContact C-N 3.3Å; L131-L133 PolarHBondContact O-N 2.89Å; L133-M137 VanDerWaalsContact O-CB 3.24Å; L133-M137 WeakPolarHBondContact O-CB 3.28Å; L133-M137 PolarHBondContact O-N 3.1Å
134Q81.7Confident79.9Confident47 Ų4748.7 Ų48.722%0.2227%0.273CS..Hα-helixtrans-70.9-35.9177.9-69.3-173.723.300112.7V122 E130 L131 M137 L138V122-Q134 HydrophobicContact CG2-CB 4.31Å; E130-Q134 WeakPolarHBondContact O-CG 3.4Å; E130-Q134 PolarHBondContact O-N 3.29Å; E130-Q134 PolarHBondContact OE1-NE2 2.96Å; L131-Q134 PolarHBondContact O-N 2.88Å; Q134-M137 HydrophobicContact CG-CE 4.42Å; Q134-L138 WeakPolarHBondContact O-CB 3.12Å; Q134-L138 PolarHBondContact O-N 3.5Å
135M81.3Confident80.9Confident5 Ų546.6 Ų46.63%0.02526%0.258CS..Hα-helixtrans-59.9-59.2170.7-75178.368.500110.9V121 L131 M137 L138 E139 I146 L467 H470V121-M135 HydrophobicContact CG1-CG 4Å; L131-M135 HydrophobicContact CD1-CG 4.01Å; L131-M135 HydrophobicContact CD1-SD 4.13Å; L131-M135 HydrophobicContact CG-CG 4.36Å; L131-M135 HydrophobicContact CG-SD 4Å; L131-M135 WeakPolarHBondContact O-CB 3.19Å; L131-M135 WeakPolarHBondContact O-CG 3.44Å; L131-M135 PolarHBondContact O-N 2.94Å; M135-M137 VanDerWaalsContact C-N 3.26Å; M135-M137 PolarHBondContact O-N 2.96Å; M135-L138 PolarHBondContact O-N 3.19Å; M135-E139 WeakPolarHBondContact O-CG 3.46Å; M135-E139 PolarHBondContact O-N 2.66Å; M135-I146 HydrophobicContact CB-CD1 3.88Å; M135-I146 HydrophobicContact CE-CB 4.45Å; M135-I146 HydrophobicContact CE-CD1 4.07Å; M135-I146 HydrophobicContact CE-CG2 4.29Å; M135-I146 HydrophobicContact CG-CD1 3.88Å; M135-L467 HydrophobicContact CE-CD2 3.79Å; M135-L467 HydrophobicContact SD-CD2 3.76Å; M135-L467 HydrophobicContact SD-CG 4.26Å; M135-H470 HydrophobicContact CE-CB 3.84Å; M135-H470 VanDerWaalsContact CE-CD2 3.48Å; M135-H470 WeakPolarHBondContact CE-CD2 3.31Å
136G82.9Confident81.7Confident31 Ų3142 Ų4232%0.3224%0.237SC..Hα-helixtrans-60.8-32.6-179.900000113.6K132 S140K132-G136 PolarHBondContact O-N 3.06Å; G136-S140 WeakPolarHBondContact O-CB 3.38Å; G136-S140 PolarHBondContact O-N 3.23Å
137M85.5Confident81.8Confident79 Ų7941.4 Ų41.439%0.38923%0.234SC..Hα-helixtrans-65.9-44.8171.1177.5173.451.300112T92 L133 Q134 M135 S140 V141T92-M137 HydrophobicContact CG2-CE 3.95Å; T92-M137 HydrophobicContact CG2-CG 4.4Å; L133-M137 VanDerWaalsContact O-CB 3.24Å; L133-M137 WeakPolarHBondContact O-CB 3.28Å; L133-M137 PolarHBondContact O-N 3.1Å; Q134-M137 HydrophobicContact CG-CE 4.42Å; M135-M137 VanDerWaalsContact C-N 3.26Å; M135-M137 PolarHBondContact O-N 2.96Å; M137-S140 PolarHBondContact O-N 3.35Å; M137-V141 HydrophobicContact CG-CG2 4.45Å; M137-V141 WeakPolarHBondContact O-CB 3.48Å; M137-V141 VanDerWaalsContact O-CG2 3.28Å; M137-V141 WeakPolarHBondContact O-CG2 3.38Å; M137-V141 PolarHBondContact O-N 3.1Å
138L86.6Confident81.4Confident1 Ų138.8 Ų38.81%0.00522%0.218CC..Hα-helixtrans-65.8-45.9179.2-179.464.2000111.2I11 A91 T92 V121 Q134 M135 S140 V141 M142I11-L138 HydrophobicContact CD1-CD2 4.12Å; I11-L138 HydrophobicContact CD1-CG 3.86Å; I11-L138 HydrophobicContact CG2-CD2 4.4Å; A91-L138 HydrophobicContact CB-CD1 4.45Å; T92-L138 HydrophobicContact CG2-CB 4.03Å; T92-L138 HydrophobicContact CG2-CD1 4Å; V121-L138 HydrophobicContact CG1-CD2 4.08Å; Q134-L138 WeakPolarHBondContact O-CB 3.12Å; Q134-L138 PolarHBondContact O-N 3.5Å; M135-L138 PolarHBondContact O-N 3.19Å; L138-S140 PolarHBondContact O-N 2.94Å; L138-V141 PolarHBondContact O-N 3.14Å; L138-M142 HydrophobicContact CD1-CG 3.79Å; L138-M142 HydrophobicContact CG-CG 4.35Å; L138-M142 WeakPolarHBondContact O-CB 3.46Å; L138-M142 WeakPolarHBondContact O-CG 3.19Å; L138-M142 PolarHBondContact O-N 2.93Å
139E87Confident81Confident38 Ų3840.3 Ų40.318%0.17823%0.225CC..Hα-helixtrans-58.4-47.1175-68.4-171.2137.600111.6M135 V141 M142 C143 S144 S145 I146 H470M135-E139 WeakPolarHBondContact O-CG 3.46Å; M135-E139 PolarHBondContact O-N 2.66Å; E139-V141 PolarHBondContact O-N 3.41Å; E139-M142 PolarHBondContact O-N 2.89Å; E139-C143 WeakPolarHBondContact O-CA 3.41Å; E139-C143 PolarHBondContact O-N 2.89Å; E139-S144 VanDerWaalsContact CA-O 3.3Å; E139-S144 WeakPolarHBondContact CA-O 3.4Å; E139-S144 VanDerWaalsContact CB-O 3.28Å; E139-S144 WeakPolarHBondContact CB-O 3.5Å; E139-S144 WeakPolarHBondContact CG-O 3.18Å; E139-S144 PolarHBondContact O-N 2.76Å; E139-S145 WeakPolarHBondContact OE1-CA 3.36Å; E139-I146 HydrophobicContact CG-CD1 3.78Å; E139-I146 HydrophobicContact CG-CG1 3.75Å; E139-I146 PolarHBondContact OE1-N 3.32Å; E139-H470 IonicContact OE2-CE1 2.66Å
140S86.9Confident79.8Confident80 Ų8039.7 Ų39.756%0.55922%0.222SC*.Hα-helixtrans-62.1-41.3176.9178.60000112.5K105 G136 M137 L138K105-S140 WeakPolarHBondContact CE-O 3.46Å; K105-S140 PolarHBondContact NZ-O 2.82Å; G136-S140 WeakPolarHBondContact O-CB 3.38Å; G136-S140 PolarHBondContact O-N 3.23Å; M137-S140 PolarHBondContact O-N 3.35Å; L138-S140 PolarHBondContact O-N 2.94Å
141V88.9Confident78.3Confident12 Ų1240 Ų407%0.07322%0.224CC..Hα-helixtrans-66.3-48.8175.9168.90000111.2A91 R98 M101 K105 M137 L138 E139A91-V141 HydrophobicContact CB-CG1 4.01Å; R98-V141 HydrophobicContact CG-CG1 4.34Å; M101-V141 WeakPolarHBondContact CB-O 3.14Å; K105-V141 WeakPolarHBondContact CE-O 3.45Å; K105-V141 PolarHBondContact NZ-O 3.43Å; M137-V141 HydrophobicContact CG-CG2 4.45Å; M137-V141 WeakPolarHBondContact O-CB 3.48Å; M137-V141 VanDerWaalsContact O-CG2 3.28Å; M137-V141 WeakPolarHBondContact O-CG2 3.38Å; M137-V141 PolarHBondContact O-N 3.1Å; L138-V141 PolarHBondContact O-N 3.14Å; E139-V141 PolarHBondContact O-N 3.41Å
142M87.7Confident76.7Confident0 Ų041.1 Ų41.10%023%0.23CC..Hα-helixtrans-82.8-10.2-173-64.5-57.9-63.600114.8I11 F85 C88 A91 M101 V114 L138 E139 S144I11-M142 HydrophobicContact CD1-CB 4.06Å; I11-M142 HydrophobicContact CD1-CG 4.22Å; F85-M142 HydrophobicContact CB-CE 4.13Å; F85-M142 HydrophobicContact CD1-CE 4.09Å; F85-M142 HydrophobicContact CD2-CE 3.58Å; F85-M142 HydrophobicContact CE1-CE 4.37Å; F85-M142 HydrophobicContact CE2-CE 3.87Å; F85-M142 HydrophobicContact CG-CE 3.69Å; F85-M142 HydrophobicContact CZ-CE 4.26Å; C88-M142 HydrophobicContact CB-CE 4.23Å; A91-M142 HydrophobicContact CB-CG 4.38Å; A91-M142 HydrophobicContact CB-SD 3.42Å; A91-M142 WeakPolarHBondContact CB-SD 3.26Å; M101-M142 VanDerWaalsContact CE-O 3.29Å; M101-M142 WeakPolarHBondContact CE-O 3.46Å; M101-M142 HydrophobicContact CG-CE 4.43Å; M101-M142 HydrophobicContact CG-SD 3.98Å; M101-M142 HydrophobicContact SD-CE 4.47Å; V114-M142 HydrophobicContact CG1-CE 3.99Å; L138-M142 HydrophobicContact CD1-CG 3.79Å; L138-M142 HydrophobicContact CG-CG 4.35Å; L138-M142 WeakPolarHBondContact O-CB 3.46Å; L138-M142 WeakPolarHBondContact O-CG 3.19Å; L138-M142 PolarHBondContact O-N 2.93Å; E139-M142 PolarHBondContact O-N 2.89Å; M142-S144 VanDerWaalsContact C-N 3.27Å; M142-S144 PolarHBondContact O-N 2.82Å; M142-S144 PolarHBondContact O-OG 2.9Å; M142-S144 VanDerWaalsContact O-OG 3.06Å
143C88.4Confident75Confident49 Ų4940.9 Ų40.933%0.33123%0.23SC..THydrogen-bonded Turntrans49.748-171.4-64.50000112.3N9 M101 Y104 K105 E139N9-C143 WeakPolarHBondContact CB-O 3.29Å; N9-C143 PolarHBondContact ND2-O 3.44Å; M101-C143 HydrophobicContact CE-CB 4.4Å; Y104-C143 HydrophobicContact CE1-CB 4.02Å; K105-C143 WeakPolarHBondContact CE-SG 3.26Å; E139-C143 WeakPolarHBondContact O-CA 3.41Å; E139-C143 PolarHBondContact O-N 2.89Å
144S87.5Confident73.1Confident10 Ų1037.9 Ų37.97%0.0722%0.218CC..  trans-145148.1-173-600000109.9N9 E139 M142N9-S144 WeakPolarHBondContact O-CA 3.25Å; E139-S144 VanDerWaalsContact CA-O 3.3Å; E139-S144 WeakPolarHBondContact CA-O 3.4Å; E139-S144 VanDerWaalsContact CB-O 3.28Å; E139-S144 WeakPolarHBondContact CB-O 3.5Å; E139-S144 WeakPolarHBondContact CG-O 3.18Å; E139-S144 PolarHBondContact O-N 2.76Å; M142-S144 VanDerWaalsContact C-N 3.27Å; M142-S144 PolarHBondContact O-N 2.82Å; M142-S144 PolarHBondContact O-OG 2.9Å; M142-S144 VanDerWaalsContact O-OG 3.06Å
145S84.7Confident71Confident28 Ų2836.5 Ų36.520%0.19621%0.211CC..EExtended strand (participates in β ladder)trans-89.1145.7170.449.50000111.9R8 N9 I10 I11 E139 E147R8-S145 PolarHBondContact NE-OG 3Å; N9-S145 PolarHBondContact O-N 3.18Å; I10-S145 CarbonylContact C-O 3.59Å; I10-S145 VanDerWaalsContact CA-O 3.28Å; I10-S145 WeakPolarHBondContact CA-O 3.17Å; I11-S145 PolarHBondContact N-O 2.68Å; E139-S145 WeakPolarHBondContact OE1-CA 3.36Å; S145-E147 PolarHBondContact OG-OE1 3.24Å
146I82.8Confident68.9Low17 Ų1739.4 Ų39.49%0.08724%0.235CC..EExtended strand (participates in β ladder)trans-80.1126.8174-67.9165.9000109.8I11 P13 V121 M135 E139I11-I146 HydrophobicContact CB-CG1 4Å; I11-I146 HydrophobicContact CD1-CG1 3.89Å; I11-I146 HydrophobicContact CG2-CG1 4.15Å; P13-I146 HydrophobicContact CG-CG2 3.99Å; V121-I146 HydrophobicContact CG1-CD1 4.25Å; V121-I146 HydrophobicContact CG2-CD1 4.33Å; V121-I146 HydrophobicContact CG2-CG2 4.39Å; M135-I146 HydrophobicContact CB-CD1 3.88Å; M135-I146 HydrophobicContact CE-CB 4.45Å; M135-I146 HydrophobicContact CE-CD1 4.07Å; M135-I146 HydrophobicContact CE-CG2 4.29Å; M135-I146 HydrophobicContact CG-CD1 3.88Å; E139-I146 HydrophobicContact CG-CD1 3.78Å; E139-I146 HydrophobicContact CG-CG1 3.75Å; E139-I146 PolarHBondContact OE1-N 3.32Å
147E74.6Confident66.9Low7 Ų744.7 Ų44.73%0.03325%0.25CC..  trans-123.194.8-176.5-49.2-76.5162.200110.4M1 R4 R8 I10 I11 S145M1-E147 HydrophobicContact CE-CB 3.85Å; M1-E147 WeakPolarHBondContact CE-O 3.3Å; M1-E147 HydrophobicContact SD-CB 3.72Å; R4-E147 WeakPolarHBondContact CD-OE2 3.34Å; R4-E147 IonicContact CZ-OE2 2.65Å; R4-E147 IonicContact NE-OE2 3.91Å; R4-E147 IonicContact NH1-OE2 3.86Å; R4-E147 PolarHBondContact NH1-OE2 3.02Å; R8-E147 IonicContact CZ-OE1 2.77Å; R8-E147 IonicContact NE-OE1 2.74Å; R8-E147 PolarHBondContact NE-OE1 3.34Å; R8-E147 VanDerWaalsContact NH2-CD 3.29Å; R8-E147 IonicContact NH2-OE1 2.64Å; R8-E147 PolarHBondContact NH2-OE1 3.23Å; R8-E147 IonicContact NH2-OE2 2.73Å; R8-E147 PolarHBondContact NH2-OE2 3.41Å; I10-E147 HydrophobicContact CB-CG 3.61Å; I10-E147 HydrophobicContact CD1-CB 4.5Å; I10-E147 HydrophobicContact CD1-CG 4.05Å; I10-E147 HydrophobicContact CG1-CG 4.42Å; I10-E147 HydrophobicContact CG2-CG 3.58Å; I11-E147 PolarHBondContact O-N 3Å; S145-E147 PolarHBondContact OG-OE1 3.24Å
148T65Low64.7Low17 Ų1747.3 Ų47.310%0.10427%0.27CS..  trans-75.3154.6172.835.60000112.5M1 P13 L467 Q471M1-T148 VanDerWaalsContact CE-C 3.44Å; M1-T148 WeakPolarHBondContact CE-O 3.39Å; P13-T148 HydrophobicContact CG-CG2 3.7Å; T148-L467 HydrophobicContact CG2-CD2 4.31Å; T148-Q471 WeakPolarHBondContact OG1-CG 2.92Å; T148-Q471 PolarHBondContact OG1-NE2 2.97Å; T148-Q471 PolarHBondContact OG1-OE1 3.47Å
149T59Low62.5Low38 Ų3848.7 Ų48.723%0.23328%0.281CS..  trans-73.7162.8-170.236.30000116M1 L14 E151 L152M1-T149 HydrophobicContact CE-CG2 4.28Å; L14-T149 HydrophobicContact CD2-CG2 3.39Å; L14-T149 HydrophobicContact CG-CG2 4.1Å; T149-E151 PolarHBondContact O-N 3.34Å; T149-L152 PolarHBondContact O-N 2.97Å
150I50.9Low60.8Low119 Ų11949.9 Ų49.961%0.6129%0.291SS*.Hα-helixtrans-55.5-22.4175.9-59.1168.6000112.6L152 E153 S154I150-L152 VanDerWaalsContact C-N 3.27Å; I150-L152 PolarHBondContact O-N 3.32Å; I150-E153 PolarHBondContact O-N 2.91Å; I150-S154 VanDerWaalsContact O-CB 3.27Å; I150-S154 WeakPolarHBondContact O-CB 3.48Å; I150-S154 PolarHBondContact O-N 2.86Å; I150-S154 PolarHBondContact O-OG 3.28Å
151E45.8Very low59.7Low82 Ų8252.6 Ų52.638%0.38329%0.293SS..Hα-helixtrans-57.9-37.6171.7-72.8-163.211900111.8T149 S154 Y155 R433 R435T149-E151 PolarHBondContact O-N 3.34Å; E151-S154 PolarHBondContact O-OG 3.47Å; E151-Y155 WeakPolarHBondContact O-CB 3.44Å; E151-Y155 PolarHBondContact O-N 3.22Å; E151-Y155 VanDerWaalsContact O-N 3.09Å; E151-R433 IonicContact OE1-NH1 2.69Å; E151-R433 PolarHBondContact OE1-NH1 3.28Å; E151-R435 IonicContact OE1-CZ 2.73Å; E151-R435 IonicContact OE1-NH1 3.14Å; E151-R435 IonicContact OE1-NH2 3.66Å; E151-R435 PolarHBondContact OE1-NH2 3.47Å
152L45Very low59Low30 Ų3052.5 Ų52.516%0.15729%0.292CS..Hα-helixtrans-72.4-44.3170.5-93.277.5000112.8T149 I150 S154 Y155 A156 V428 I468T149-L152 PolarHBondContact O-N 2.97Å; I150-L152 VanDerWaalsContact C-N 3.27Å; I150-L152 PolarHBondContact O-N 3.32Å; L152-S154 VanDerWaalsContact C-N 3.3Å; L152-S154 PolarHBondContact O-N 3.18Å; L152-Y155 PolarHBondContact O-N 3.41Å; L152-A156 WeakPolarHBondContact O-CB 3.33Å; L152-A156 PolarHBondContact O-N 2.9Å; L152-V428 HydrophobicContact CD1-CG1 4.27Å; L152-I468 HydrophobicContact CD2-CG1 4.3Å
153E41Very low58.8Low60 Ų6057.1 Ų57.128%0.2831%0.314SS..Hα-helixtrans-61.1-37.9-178.7-65.3-177.9178.100111.8R4 I150 K157R4-E153 IonicContact CZ-OE1 3.65Å; R4-E153 IonicContact NH1-OE1 3.65Å; R4-E153 IonicContact NH2-OE1 3.86Å; R4-E153 PolarHBondContact NH2-OE1 2.95Å; R4-E153 IonicContact NH2-OE2 3.52Å; I150-E153 PolarHBondContact O-N 2.91Å; E153-K157 VanDerWaalsContact O-CB 3.32Å; E153-K157 WeakPolarHBondContact O-CB 3.26Å; E153-K157 WeakPolarHBondContact O-CG 3.26Å; E153-K157 PolarHBondContact O-N 3Å; E153-K157 VanDerWaalsContact O-N 3.14Å
154S43.1Very low58.7Low46 Ų4657.5 Ų57.532%0.32231%0.312SS..Hα-helixtrans-77.7-38.3177.164.90000113.5I150 E151 L152 A156 K157 V158I150-S154 VanDerWaalsContact O-CB 3.27Å; I150-S154 WeakPolarHBondContact O-CB 3.48Å; I150-S154 PolarHBondContact O-N 2.86Å; I150-S154 PolarHBondContact O-OG 3.28Å; E151-S154 PolarHBondContact O-OG 3.47Å; L152-S154 VanDerWaalsContact C-N 3.3Å; L152-S154 PolarHBondContact O-N 3.18Å; S154-A156 PolarHBondContact O-N 2.86Å; S154-K157 PolarHBondContact O-N 3.24Å; S154-K157 VanDerWaalsContact O-N 3.16Å; S154-V158 PolarHBondContact O-N 3.32Å
155Y37.3Very low58.8Low17 Ų1759.7 Ų59.77%0.06732%0.32CS..Hα-helixtrans-61.9-27.8172.1171.9-100.7000112.4E151 L152 K431 E464E151-Y155 WeakPolarHBondContact O-CB 3.44Å; E151-Y155 PolarHBondContact O-N 3.22Å; E151-Y155 VanDerWaalsContact O-N 3.09Å; L152-Y155 PolarHBondContact O-N 3.41Å; Y155-K431 WeakPolarHBondContact OH-CD 3.27Å; Y155-K431 WeakPolarHBondContact OH-CE 3.17Å; Y155-K431 PolarHBondContact OH-NZ 2.84Å; Y155-E464 WeakPolarHBondContact CE1-OE1 3.43Å; Y155-E464 PolarHBondContact OH-OE1 3.11Å
156A37.8Very low59Low66 Ų6660.6 Ų60.655%0.54533%0.325SS..Hα-helixtrans-84.2-31.8170.900000114.3L152 S154L152-A156 WeakPolarHBondContact O-CB 3.33Å; L152-A156 PolarHBondContact O-N 2.9Å; S154-A156 PolarHBondContact O-N 2.86Å
157K40.7Very low59.4Low143 Ų14362.9 Ų62.962%0.62233%0.332SS*.Hα-helixtrans-103.6-12.2-169-68.8-176.3172.9-175.20116.2E153 S154 E479E153-K157 VanDerWaalsContact O-CB 3.32Å; E153-K157 WeakPolarHBondContact O-CB 3.26Å; E153-K157 WeakPolarHBondContact O-CG 3.26Å; E153-K157 PolarHBondContact O-N 3Å; E153-K157 VanDerWaalsContact O-N 3.14Å; S154-K157 PolarHBondContact O-N 3.24Å; S154-K157 VanDerWaalsContact O-N 3.16Å; K157-E479 IonicContact NZ-OE1 3.94Å; K157-E479 IonicContact NZ-OE2 3.62Å; K157-E479 PolarHBondContact NZ-OE2 3.49Å
158V38.7Very low60.2Low134 Ų13465.7 Ų65.781%0.81235%0.35SS*.THydrogen-bonded Turntrans-136.2-31.9-178.3-170.90000113.8S154S154-V158 PolarHBondContact O-N 3.32Å
159A40.9Very low61.3Low29 Ų2965.5 Ų65.524%0.2435%0.349CS..SBendtrans-89.2142-175.100000113.5K161A159-K161 PolarHBondContact O-N 3.07Å
160T51Low62.6Low64 Ų6471.1 Ų71.139%0.39337%0.37SS..PPolyproline II helixtrans-69.3124.1162.840.10000109.7P162 M436T160-P162 WeakPolarHBondContact O-CD 3.42Å; T160-M436 PolarHBondContact OG1-O 2.83Å
161K63.5Low64.3Low137 Ų13767.1 Ų67.160%0.59635%0.35SS*.PPolyproline II helixtrans-53.2120.4175.8-79-172.7174-175.50110A159A159-K161 PolarHBondContact O-N 3.07Å
162P73.5Confident66Low9 Ų964.1 Ų64.16%0.05834%0.337CS..PPolyproline II helixtrans-69.3142.7-174.226.5-34.8000111.9T160 I164 K431 A434 A439T160-P162 WeakPolarHBondContact O-CD 3.42Å; P162-I164 PolarHBondContact O-N 3.32Å; P162-K431 HydrophobicContact CG-CG 4.06Å; P162-A434 HydrophobicContact CB-CB 3.79Å; P162-A434 HydrophobicContact CG-CB 4.14Å; P162-A439 CarbonylContact C-O 3.53Å; P162-A439 WeakPolarHBondContact CA-O 3.49Å; P162-A439 HydrophobicContact CB-CB 4.41Å; P162-A439 VanDerWaalsContact CB-O 3.32Å; P162-A439 WeakPolarHBondContact CB-O 3.33Å
163Q83.2Confident67.5Low97 Ų9767.4 Ų67.445%0.45336%0.358SS..EExtended strand (participates in β ladder)trans-69.9115.1-179.9-65.1-172.89.700110.5K165 A439 Q440 Y441Q163-K165 PolarHBondContact O-N 2.91Å; Q163-A439 PolarHBondContact N-O 3.42Å; Q163-Q440 HydrophobicContact CB-CG 4.49Å; Q163-Q440 WeakPolarHBondContact O-CA 3.47Å; Q163-Y441 PolarHBondContact O-N 3.09Å
164I87.4Confident69Low58 Ų5867.6 Ų67.630%0.29737%0.37SS..EExtended strand (participates in β ladder)trans-76.8121.5173.5-57.9175.8000109P162 F427 Y441 L457 V461P162-I164 PolarHBondContact O-N 3.32Å; I164-F427 HydrophobicContact CD1-CE2 4.49Å; I164-F427 HydrophobicContact CD1-CZ 4.1Å; I164-Y441 WeakPolarHBondContact CA-O 3.4Å; I164-Y441 HydrophobicContact CG1-CD1 4.39Å; I164-Y441 HydrophobicContact CG2-CD1 4.37Å; I164-L457 HydrophobicContact CG2-CD2 4.2Å; I164-V461 HydrophobicContact CD1-CG2 4.19Å
165K89.6Confident70.6Confident55 Ų5566 Ų6624%0.23936%0.359CS..EExtended strand (participates in β ladder)trans-122.9129.3175-68.2-178.8-179.21750110.2Q163 Q440 Y441 I442 V443Q163-K165 PolarHBondContact O-N 2.91Å; K165-Q440 VanDerWaalsContact NZ-CD 3.28Å; K165-Y441 PolarHBondContact N-O 3.42Å; K165-I442 HydrophobicContact CB-CG1 4.46Å; K165-I442 CarbonylContact O-C 3.59Å; K165-I442 WeakPolarHBondContact O-CA 3.15Å; K165-V443 PolarHBondContact O-N 3.01Å
166V89.6Confident72.4Confident47 Ų4770.5 Ų70.529%0.28539%0.394SS..EExtended strand (participates in β ladder)trans-100.6125.9171-177.80000108.6V168 I445 L457V166-V168 HydrophobicContact CG1-CG2 4.29Å; V166-I445 HydrophobicContact CG1-CG2 3.58Å; V166-L457 HydrophobicContact CG2-CD2 3.83Å
167R90.2Very high74.7Confident65 Ų6568.2 Ų68.225%0.24537%0.371CS..EExtended strand (participates in β ladder)trans-110.7101.3178-71.9-70.5-164.8-133.19.6108.6E302 E309 I442 V443 I444 I445R167-E302 HydrophobicContact CB-CG 4.06Å; R167-E302 WeakPolarHBondContact CD-OE1 3.44Å; R167-E309 IonicContact CZ-OE1 3.5Å; R167-E309 IonicContact CZ-OE2 3.65Å; R167-E309 IonicContact NE-OE1 3.21Å; R167-E309 IonicContact NH2-OE1 2.68Å; R167-E309 PolarHBondContact NH2-OE1 3.35Å; R167-E309 IonicContact NH2-OE2 2.84Å; R167-E309 PolarHBondContact NH2-OE2 3.43Å; R167-I442 HydrophobicContact CB-CG2 4.49Å; R167-I442 HydrophobicContact CG-CG2 3.79Å; R167-V443 PolarHBondContact N-O 2.99Å; R167-I444 WeakPolarHBondContact O-CA 3.39Å; R167-I445 PolarHBondContact O-N 3.43Å
168V90.3Very high76.7Confident67 Ų6764.1 Ų64.141%0.40635%0.354SS..EExtended strand (participates in β ladder)trans-82.5127.2177.4-171.20000109.4V166 I445 N447V166-V168 HydrophobicContact CG1-CG2 4.29Å; V168-I445 CarbonylContact C-O 3.58Å; V168-I445 WeakPolarHBondContact CA-O 2.96Å; V168-I445 HydrophobicContact CB-CG2 4.35Å; V168-I445 HydrophobicContact CG2-CG2 3.88Å; V168-N447 HydrophobicContact CG1-CB 4.22Å
169C89.3Confident78.8Confident13 Ų1364 Ų649%0.08835%0.349CS..EExtended strand (participates in β ladder)trans-122169.5176.5670000110.9R299 E302 I445 N447C169-R299 WeakPolarHBondContact SG-CG 3.3Å; C169-E302 HydrophobicContact CB-CB 4Å; C169-E302 HydrophobicContact CB-CG 4.25Å; C169-I445 PolarHBondContact N-O 3.1Å; C169-I445 PolarHBondContact SG-O 3.44Å; C169-N447 PolarHBondContact O-N 3.41Å
170K87Confident81.1Confident155 Ų15564.6 Ų64.667%0.67435%0.35SS*.  trans-62.5151.4173.3-62179.3-179.1177.70110.2A174 P298K170-A174 HydrophobicContact CB-CB 4.46Å; K170-P298 HydrophobicContact CB-CB 4.08Å; K170-P298 HydrophobicContact CB-CG 4.19Å; K170-P298 VanDerWaalsContact O-CB 3.23Å; K170-P298 WeakPolarHBondContact O-CB 3.43Å
171D84.8Confident82.9Confident36 Ų3662.1 Ų62.119%0.19334%0.336CS..  trans-63.7143.7174.9-52.8-73000110.9T173 A174 Q446 N447 S448D171-T173 PolarHBondContact O-N 2.83Å; D171-A174 WeakPolarHBondContact O-CB 3.12Å; D171-A174 PolarHBondContact O-N 2.89Å; D171-Q446 WeakPolarHBondContact OD1-CB 3.27Å; D171-N447 PolarHBondContact OD1-N 3.31Å; D171-S448 WeakPolarHBondContact OD1-CB 3.36Å; D171-S448 PolarHBondContact OD1-N 3.08Å; D171-S448 PolarHBondContact OD1-OG 2.94Å
172D81.3Confident84Confident19 Ų1960.4 Ų60.410%0.10233%0.332CS..G310 helixtrans-64-18.6-171.5-69.1-11.3000112.4A174 V297 R299 Q446D172-A174 VanDerWaalsContact C-N 3.29Å; D172-A174 PolarHBondContact O-N 3.29Å; D172-V297 HydrophobicContact CB-CB 4.07Å; D172-V297 HydrophobicContact CB-CG1 4.21Å; D172-R299 PolarHBondContact OD1-N 2.83Å; D172-R299 IonicContact OD1-NE 2.69Å; D172-R299 IonicContact OD2-CZ 2.79Å; D172-R299 VanDerWaalsContact OD2-CZ 3.26Å; D172-R299 IonicContact OD2-NE 3.47Å; D172-R299 PolarHBondContact OD2-NE 2.84Å; D172-R299 IonicContact OD2-NH2 3.92Å; D172-R299 PolarHBondContact OD2-NH2 3.02Å; D172-Q446 VanDerWaalsContact CB-NE2 3.33Å; D172-Q446 PolarHBondContact OD1-NE2 3Å; D172-Q446 VanDerWaalsContact OD1-NE2 3.09Å; D172-Q446 PolarHBondContact OD2-NE2 3.08Å
173T77.2Confident84.8Confident98 Ų9867.5 Ų67.560%0.60136%0.358SS*.G310 helixtrans-72.7-14173.751.50000114.3D171 A175 M178D171-T173 PolarHBondContact O-N 2.83Å; T173-A175 VanDerWaalsContact C-N 3.28Å; T173-A175 PolarHBondContact O-N 3.35Å; T173-M178 HydrophobicContact CG2-CE 3.96Å
174A72.9Confident85.2Confident64 Ų6462.9 Ų62.953%0.52934%0.336SS..G310 helixtrans-88.315.1-179.900000113.7K170 D171 D172K170-A174 HydrophobicContact CB-CB 4.46Å; D171-A174 WeakPolarHBondContact O-CB 3.12Å; D171-A174 PolarHBondContact O-N 2.89Å; D172-A174 VanDerWaalsContact C-N 3.29Å; D172-A174 PolarHBondContact O-N 3.29Å
175A75.5Confident85.3Confident12 Ų1261.7 Ų61.710%0.09934%0.335CS..  trans-70.1139.5176.600000111.7T173 W177 M178T173-A175 VanDerWaalsContact C-N 3.28Å; T173-A175 PolarHBondContact O-N 3.35Å; A175-W177 HydrophobicContact CB-CD2 3.9Å; A175-W177 HydrophobicContact CB-CE3 4.31Å; A175-W177 HydrophobicContact CB-CG 4.44Å; A175-W177 HydrophobicContact CB-CH2 4.15Å; A175-W177 HydrophobicContact CB-CZ2 3.72Å; A175-W177 HydrophobicContact CB-CZ3 4.43Å; A175-W177 PolarHBondContact O-N 2.8Å; A175-M178 WeakPolarHBondContact O-CB 3.34Å; A175-M178 PolarHBondContact O-N 3.44Å
176S76.9Confident85.3Confident113 Ų11361.9 Ų61.979%0.7935%0.347SS*.THydrogen-bonded Turntrans-61.3-18.9-177.251.40000114.5
177W84.7Confident85.4Confident18 Ų1863.9 Ų63.97%0.06835%0.35CS..THydrogen-bonded Turntrans-103.413.8-176.146.6-103.5000113.9A175 D179 V180 S181 L229 S294 V297A175-W177 HydrophobicContact CB-CD2 3.9Å; A175-W177 HydrophobicContact CB-CE3 4.31Å; A175-W177 HydrophobicContact CB-CG 4.44Å; A175-W177 HydrophobicContact CB-CH2 4.15Å; A175-W177 HydrophobicContact CB-CZ2 3.72Å; A175-W177 HydrophobicContact CB-CZ3 4.43Å; A175-W177 PolarHBondContact O-N 2.8Å; W177-D179 PolarHBondContact O-N 3.48Å; W177-D179 VanDerWaalsContact O-N 3.14Å; W177-V180 WeakPolarHBondContact O-CB 3.35Å; W177-V180 PolarHBondContact O-N 2.81Å; W177-S181 PolarHBondContact O-N 2.91Å; W177-L229 HydrophobicContact CB-CD1 3.7Å; W177-L229 HydrophobicContact CB-CG 4.39Å; W177-L229 HydrophobicContact CD2-CD1 3.93Å; W177-L229 HydrophobicContact CD2-CD2 4.04Å; W177-L229 HydrophobicContact CD2-CG 3.58Å; W177-L229 HydrophobicContact CE3-CD1 4.1Å; W177-L229 HydrophobicContact CE3-CD2 3.45Å; W177-L229 VanDerWaalsContact CE3-CD2 3.45Å; W177-L229 HydrophobicContact CE3-CG 3.56Å; W177-L229 HydrophobicContact CG-CD1 3.76Å; W177-L229 HydrophobicContact CG-CG 3.95Å; W177-L229 HydrophobicContact CH2-CD2 4.46Å; W177-L229 HydrophobicContact CZ3-CD2 3.7Å; W177-L229 HydrophobicContact CZ3-CG 4.06Å; W177-S294 PolarHBondContact NE1-O 3.13Å; W177-S294 VanDerWaalsContact NE1-O 3.11Å; W177-V297 HydrophobicContact CH2-CG1 3.82Å; W177-V297 HydrophobicContact CZ2-CG1 4.09Å
178M82.4Confident85.5Confident56 Ų5660.9 Ų60.928%0.27634%0.339SS..Hα-helixtrans-56.6-32.7-173.1-164.962.3171.300113.9T173 A175 V180 S181 L182T173-M178 HydrophobicContact CG2-CE 3.96Å; A175-M178 WeakPolarHBondContact O-CB 3.34Å; A175-M178 PolarHBondContact O-N 3.44Å; M178-V180 VanDerWaalsContact C-N 3.33Å; M178-V180 PolarHBondContact O-N 2.96Å; M178-S181 WeakPolarHBondContact O-CB 3.48Å; M178-S181 PolarHBondContact O-N 2.74Å; M178-L182 HydrophobicContact CG-CD1 4.38Å; M178-L182 WeakPolarHBondContact O-CG 3.48Å; M178-L182 PolarHBondContact O-N 3.34Å
179D84.7Confident85.4Confident131 Ų13164.2 Ų64.270%0.70135%0.347SS*.Hα-helixtrans-63.6-35.5175.7-67.3-37.8000113.3W177 R183W177-D179 PolarHBondContact O-N 3.48Å; W177-D179 VanDerWaalsContact O-N 3.14Å; D179-R183 WeakPolarHBondContact O-CB 3.45Å; D179-R183 PolarHBondContact O-N 2.67Å
180V88.6Confident85.4Confident42 Ų4266.6 Ų66.626%0.25537%0.368SS..Hα-helixtrans-69.2-41.6175.3-176.10000109.7W177 M178 R183 I184 L229 C278 L282W177-V180 WeakPolarHBondContact O-CB 3.35Å; W177-V180 PolarHBondContact O-N 2.81Å; M178-V180 VanDerWaalsContact C-N 3.33Å; M178-V180 PolarHBondContact O-N 2.96Å; V180-R183 PolarHBondContact O-N 3.49Å; V180-I184 HydrophobicContact CG1-CD1 3.99Å; V180-I184 WeakPolarHBondContact O-CG1 3.49Å; V180-I184 PolarHBondContact O-N 2.75Å; V180-L229 HydrophobicContact CB-CD1 4.41Å; V180-L229 HydrophobicContact CG1-CD1 4.27Å; V180-C278 HydrophobicContact CG1-CB 4.5Å; V180-L282 HydrophobicContact CG1-CD1 4.27Å; V180-L282 HydrophobicContact CG2-CD1 4.3Å
181S87.6Confident85.5Confident13 Ų1359.8 Ų59.89%0.09134%0.34CS..Hα-helixtrans-59.1-47.5173.7-178.30000111.8W177 M178 R183 I184 A185 L224W177-S181 PolarHBondContact O-N 2.91Å; M178-S181 WeakPolarHBondContact O-CB 3.48Å; M178-S181 PolarHBondContact O-N 2.74Å; S181-R183 PolarHBondContact O-N 2.79Å; S181-I184 PolarHBondContact O-N 3.32Å; S181-A185 VanDerWaalsContact O-CB 3.29Å; S181-A185 WeakPolarHBondContact O-CB 3.31Å; S181-A185 PolarHBondContact O-N 2.83Å; S181-L224 WeakPolarHBondContact OG-CD2 3.48Å
182L87.2Confident85.6Confident100 Ų10059.9 Ų59.952%0.52434%0.339SS..Hα-helixtrans-62.5-41.6176.8-71.8169.7000112.4M178 A185 A186M178-L182 HydrophobicContact CG-CD1 4.38Å; M178-L182 WeakPolarHBondContact O-CG 3.48Å; M178-L182 PolarHBondContact O-N 3.34Å; L182-A185 PolarHBondContact O-N 3.48Å; L182-A186 PolarHBondContact O-N 2.93Å
183R90.3Very high85.8Confident159 Ų15962.4 Ų62.460%0.636%0.355SS*.Hα-helixtrans-64.8-42.3177.3-172.1174.6-69.9-167.3-1.3112.1D179 V180 S181 A186 Y187D179-R183 WeakPolarHBondContact O-CB 3.45Å; D179-R183 PolarHBondContact O-N 2.67Å; V180-R183 PolarHBondContact O-N 3.49Å; S181-R183 PolarHBondContact O-N 2.79Å; R183-A186 WeakPolarHBondContact O-CB 3.38Å; R183-A186 PolarHBondContact O-N 2.88Å; R183-Y187 HydrophobicContact CG-CE2 4.18Å; R183-Y187 PolarHBondContact O-N 2.86Å
184I92.4Very high86Confident0 Ų062 Ų620%035%0.349CS..Hα-helixtrans-64.9-45.4174.1-68.4167.2000110.6V180 S181 A186 Y187 M188 L224 F236 A275 C278 L279V180-I184 HydrophobicContact CG1-CD1 3.99Å; V180-I184 WeakPolarHBondContact O-CG1 3.49Å; V180-I184 PolarHBondContact O-N 2.75Å; S181-I184 PolarHBondContact O-N 3.32Å; I184-A186 PolarHBondContact O-N 3.07Å; I184-Y187 PolarHBondContact O-N 2.88Å; I184-Y187 VanDerWaalsContact O-N 3.15Å; I184-M188 HydrophobicContact CG2-CG 4.39Å; I184-M188 HydrophobicContact CG2-SD 4.03Å; I184-M188 WeakPolarHBondContact O-CG 3.4Å; I184-M188 PolarHBondContact O-N 2.97Å; I184-L224 HydrophobicContact CB-CD2 4.36Å; I184-L224 HydrophobicContact CD1-CD1 4.36Å; I184-L224 HydrophobicContact CG2-CD2 4.12Å; I184-F236 HydrophobicContact CG2-CE2 3.93Å; I184-F236 HydrophobicContact CG2-CZ 3.86Å; I184-A275 HydrophobicContact CG1-CB 4.39Å; I184-A275 HydrophobicContact CG2-CB 3.91Å; I184-C278 HydrophobicContact CD1-CB 4.3Å; I184-C278 HydrophobicContact CG1-CB 4.24Å; I184-L279 HydrophobicContact CD1-CD1 4.04Å; I184-L279 HydrophobicContact CD1-CD2 3.61Å; I184-L279 HydrophobicContact CD1-CG 3.65Å
185A88.7Confident86.2Confident32 Ų3259 Ų5926%0.26432%0.324SS..Hα-helixtrans-60-30.9177.600000112.6S181 L182 K189S181-A185 VanDerWaalsContact O-CB 3.29Å; S181-A185 WeakPolarHBondContact O-CB 3.31Å; S181-A185 PolarHBondContact O-N 2.83Å; L182-A185 PolarHBondContact O-N 3.48Å; A185-K189 VanDerWaalsContact O-CB 3.25Å; A185-K189 WeakPolarHBondContact O-CB 3.44Å; A185-K189 PolarHBondContact O-N 2.95Å
186A90.1Very high86.1Confident59 Ų5964.6 Ų64.649%0.48835%0.346SS..Hα-helixtrans-66.4-46.4173.500000112.6L182 R183 I184 M188 K189 A190L182-A186 PolarHBondContact O-N 2.93Å; R183-A186 WeakPolarHBondContact O-CB 3.38Å; R183-A186 PolarHBondContact O-N 2.88Å; I184-A186 PolarHBondContact O-N 3.07Å; A186-M188 VanDerWaalsContact C-N 3.34Å; A186-M188 PolarHBondContact O-N 3.4Å; A186-K189 PolarHBondContact O-N 3.48Å; A186-A190 PolarHBondContact O-N 2.82Å
187Y90.8Very high85.8Confident90 Ų9063.4 Ų63.435%0.35333%0.334SS..Hα-helixtrans-58.3-47.4173.7-57.5-42.1000111.2R183 I184 K189 A190 V191 C271 A274R183-Y187 HydrophobicContact CG-CE2 4.18Å; R183-Y187 PolarHBondContact O-N 2.86Å; I184-Y187 PolarHBondContact O-N 2.88Å; I184-Y187 VanDerWaalsContact O-N 3.15Å; Y187-K189 VanDerWaalsContact C-N 3.29Å; Y187-K189 PolarHBondContact O-N 2.72Å; Y187-A190 WeakPolarHBondContact O-CB 3.34Å; Y187-A190 PolarHBondContact O-N 3.13Å; Y187-A190 VanDerWaalsContact O-N 3.16Å; Y187-V191 PolarHBondContact O-N 2.82Å; Y187-C271 VanDerWaalsContact C-SG 3.51Å; Y187-A274 HydrophobicContact CD2-CB 4.07Å; Y187-A274 HydrophobicContact CE2-CB 4.11Å
188M91.8Very high84.8Confident2 Ų264.9 Ų64.91%0.0136%0.355CS..Hα-helixtrans-60.2-39.3178-65.7-177.681.200112.2I184 A186 E192 L217 R221 F236I184-M188 HydrophobicContact CG2-CG 4.39Å; I184-M188 HydrophobicContact CG2-SD 4.03Å; I184-M188 WeakPolarHBondContact O-CG 3.4Å; I184-M188 PolarHBondContact O-N 2.97Å; A186-M188 VanDerWaalsContact C-N 3.34Å; A186-M188 PolarHBondContact O-N 3.4Å; M188-E192 WeakPolarHBondContact O-CB 3.45Å; M188-E192 PolarHBondContact O-N 3.49Å; M188-L217 HydrophobicContact CB-CD2 3.89Å; M188-L217 HydrophobicContact CE-CB 4.16Å; M188-L217 HydrophobicContact CE-CD2 3.79Å; M188-L217 WeakPolarHBondContact CE-O 3.38Å; M188-L217 HydrophobicContact CG-CD2 4Å; M188-R221 HydrophobicContact CE-CB 4.24Å; M188-F236 HydrophobicContact CE-CE1 3.87Å; M188-F236 HydrophobicContact CE-CZ 4.21Å; M188-F236 HydrophobicContact SD-CE1 3.98Å; M188-F236 HydrophobicContact SD-CZ 3.77Å
189K89.9Confident83.4Confident136 Ų13667.8 Ų67.859%0.59137%0.372SS*.Hα-helixtrans-72.2-30.2178.1-168.7170.7-177.8178.70112.4A185 A186 Y187 E192 T193A185-K189 VanDerWaalsContact O-CB 3.25Å; A185-K189 WeakPolarHBondContact O-CB 3.44Å; A185-K189 PolarHBondContact O-N 2.95Å; A186-K189 PolarHBondContact O-N 3.48Å; Y187-K189 VanDerWaalsContact C-N 3.29Å; Y187-K189 PolarHBondContact O-N 2.72Å; K189-E192 PolarHBondContact O-N 3.3Å; K189-T193 WeakPolarHBondContact O-CB 3.38Å; K189-T193 PolarHBondContact O-N 2.76Å; K189-T193 PolarHBondContact O-OG1 3.34Å; K189-T193 VanDerWaalsContact O-OG1 3.06Å
190A88.8Confident81.6Confident64 Ų6467.1 Ų67.153%0.52937%0.372SS..Hα-helixtrans-63.2-47.3172.700000111.4A186 Y187 T193 L194A186-A190 PolarHBondContact O-N 2.82Å; Y187-A190 WeakPolarHBondContact O-CB 3.34Å; Y187-A190 PolarHBondContact O-N 3.13Å; Y187-A190 VanDerWaalsContact O-N 3.16Å; A190-T193 PolarHBondContact O-N 3.22Å; A190-L194 PolarHBondContact O-N 3.01Å
191V88.6Confident79.3Confident12 Ų1272.1 Ų72.17%0.07340%0.398CS..Hα-helixtrans-65.1-43174.2-177.80000111.1Y187 T193 L194 C195 V213 L217 A268 C271Y187-V191 PolarHBondContact O-N 2.82Å; V191-T193 VanDerWaalsContact C-N 3.28Å; V191-T193 PolarHBondContact O-N 2.87Å; V191-L194 WeakPolarHBondContact O-CA 3.25Å; V191-L194 WeakPolarHBondContact O-CB 3.47Å; V191-L194 PolarHBondContact O-N 3.33Å; V191-L194 VanDerWaalsContact O-N 3.09Å; V191-C195 PolarHBondContact O-N 2.89Å; V191-C195 PolarHBondContact O-SG 3.24Å; V191-V213 HydrophobicContact CG1-CG1 3.98Å; V191-L217 HydrophobicContact CB-CD1 4.2Å; V191-L217 HydrophobicContact CG1-CD1 4.07Å; V191-A268 HydrophobicContact CG1-CB 4.39Å; V191-C271 HydrophobicContact CG2-CB 3.53Å
192E86.7Confident77.1Confident37 Ų3776.5 Ų76.517%0.17343%0.428CS..Hα-helixtrans-61.2-34.8177.3-164.3-170.9160.800113M188 K189 C195 K196 L214 L217 R221M188-E192 WeakPolarHBondContact O-CB 3.45Å; M188-E192 PolarHBondContact O-N 3.49Å; K189-E192 PolarHBondContact O-N 3.3Å; E192-C195 WeakPolarHBondContact O-CB 3.14Å; E192-K196 WeakPolarHBondContact O-CG 3.47Å; E192-K196 PolarHBondContact O-N 2.82Å; E192-K196 IonicContact OE1-NZ 2.71Å; E192-K196 PolarHBondContact OE1-NZ 3.08Å; E192-L214 HydrophobicContact CG-CD2 3.95Å; E192-L217 HydrophobicContact CB-CD1 4Å; E192-R221 IonicContact OE1-NH1 3.06Å; E192-R221 IonicContact OE2-CZ 2.74Å; E192-R221 IonicContact OE2-NH1 2.86Å; E192-R221 PolarHBondContact OE2-NH1 1.98Å; E192-R221 IonicContact OE2-NH2 3.2Å; E192-R221 PolarHBondContact OE2-NH2 3.33Å
193T86.2Confident75Confident72 Ų7280.4 Ų80.444%0.44244%0.444SS..Hα-helixtrans-68-45.2171.9-65.30000110.6K189 A190 V191 C195 K196 T197K189-T193 WeakPolarHBondContact O-CB 3.38Å; K189-T193 PolarHBondContact O-N 2.76Å; K189-T193 PolarHBondContact O-OG1 3.34Å; K189-T193 VanDerWaalsContact O-OG1 3.06Å; A190-T193 PolarHBondContact O-N 3.22Å; V191-T193 VanDerWaalsContact C-N 3.28Å; V191-T193 PolarHBondContact O-N 2.87Å; T193-C195 VanDerWaalsContact C-N 3.28Å; T193-C195 PolarHBondContact O-N 3.23Å; T193-K196 CarbonylContact O-C 3.28Å; T193-K196 WeakPolarHBondContact O-CA 3.28Å; T193-K196 PolarHBondContact O-N 3.4Å; T193-T197 HydrophobicContact CG2-CG2 4.07Å; T193-T197 PolarHBondContact O-N 2.9Å; T193-T197 PolarHBondContact O-OG1 3.45Å
194L81.8Confident72.8Confident89 Ų8982 Ų8247%0.46645%0.451SS..Hα-helixtrans-55.8-42.1175.1-167.176.3000111.8A190 V191 K196 G198 A267A190-L194 PolarHBondContact O-N 3.01Å; V191-L194 WeakPolarHBondContact O-CA 3.25Å; V191-L194 WeakPolarHBondContact O-CB 3.47Å; V191-L194 PolarHBondContact O-N 3.33Å; V191-L194 VanDerWaalsContact O-N 3.09Å; L194-K196 VanDerWaalsContact C-N 3.27Å; L194-K196 PolarHBondContact O-N 3.49Å; L194-G198 PolarHBondContact O-N 3.44Å; L194-A267 HydrophobicContact CD2-CB 4.3Å
195C75.8Confident70.5Confident2 Ų285.1 Ų85.11%0.01447%0.473CS..Hα-helixtrans-56.6-40.5173-600000112.4V191 E192 T193 K210 L214 F264V191-C195 PolarHBondContact O-N 2.89Å; V191-C195 PolarHBondContact O-SG 3.24Å; E192-C195 WeakPolarHBondContact O-CB 3.14Å; T193-C195 VanDerWaalsContact C-N 3.28Å; T193-C195 PolarHBondContact O-N 3.23Å; C195-K210 WeakPolarHBondContact O-CE 3.35Å; C195-K210 PolarHBondContact O-NZ 3.3Å; C195-L214 HydrophobicContact CB-CD2 3.88Å; C195-L214 HydrophobicContact CB-CG 4.27Å; C195-F264 HydrophobicContact CB-CE2 4.31Å; C195-F264 HydrophobicContact CB-CZ 4.45Å; C195-F264 VanDerWaalsContact SG-CE2 3.52Å; C195-F264 WeakPolarHBondContact SG-CZ 3.23Å
196K73.3Confident68.7Low129 Ų12986.2 Ų86.256%0.56147%0.472SS*.Hα-helixtrans-83.8-28.6-174.2-70.2171.7-172173.70113.4E192 T193 L194E192-K196 WeakPolarHBondContact O-CG 3.47Å; E192-K196 PolarHBondContact O-N 2.82Å; E192-K196 IonicContact OE1-NZ 2.71Å; E192-K196 PolarHBondContact OE1-NZ 3.08Å; T193-K196 CarbonylContact O-C 3.28Å; T193-K196 WeakPolarHBondContact O-CA 3.28Å; T193-K196 PolarHBondContact O-N 3.4Å; L194-K196 VanDerWaalsContact C-N 3.27Å; L194-K196 PolarHBondContact O-N 3.49Å
197T71.5Confident67.2Low88 Ų8888.9 Ų88.954%0.5448%0.482SS..Hα-helixtrans-92.1-7.7179.857.70000114T193 D199T193-T197 HydrophobicContact CG2-CG2 4.07Å; T193-T197 PolarHBondContact O-N 2.9Å; T193-T197 PolarHBondContact O-OG1 3.45Å; T197-D199 VanDerWaalsContact C-N 3.31Å; T197-D199 PolarHBondContact O-N 3.19Å
198G63Low65.7Low50 Ų5091.1 Ų91.152%0.51550%0.496SS..  trans-74.1-7.5-176.800000116.6L194 V200L194-G198 PolarHBondContact O-N 3.44Å; G198-V200 VanDerWaalsContact C-N 3.33Å; G198-V200 PolarHBondContact O-N 2.9Å; G198-V200 VanDerWaalsContact O-N 3.12Å
199D52.5Low64.9Low117 Ų11791 Ų9163%0.62650%0.495SS*.  trans-86.663.8-178.5-63.9-38000112T197 K210T197-D199 VanDerWaalsContact C-N 3.31Å; T197-D199 PolarHBondContact O-N 3.19Å; D199-K210 IonicContact OD1-NZ 2.72Å; D199-K210 PolarHBondContact OD1-NZ 2.64Å; D199-K210 IonicContact OD2-NZ 3.27Å; D199-K210 PolarHBondContact OD2-NZ 3.3Å
200V47.2Very low64.3Low116 Ų11686 Ų8670%0.70347%0.474SS*.SBendtrans-90-54.1177.7-176.10000111.9G198G198-V200 VanDerWaalsContact C-N 3.33Å; G198-V200 PolarHBondContact O-N 2.9Å; G198-V200 VanDerWaalsContact O-N 3.12Å
201D40.5Very low63.6Low148 Ų14886.4 Ų86.479%0.79147%0.472SS*.SBendtrans-146.7105.3-176.2-86.7-61.9000113.3
202S42.4Very low63.2Low105 Ų10588 Ų8873%0.73448%0.479SS*.  trans161.6142.2139.548.20000111.5Y204S202-Y204 VanDerWaalsContact C-N 3.28Å; S202-Y204 PolarHBondContact O-N 2.84Å
203Q43.1Very low63.1Low182 Ų18286.3 Ų86.385%0.8547%0.47SS*.SBendtrans-823.5-175.5-70.3-177.9-15.700114.6
204Y43Very low63.1Low192 Ų19285.6 Ų85.675%0.75346%0.464SS*.SBendtrans-144.5141.3-172.1-67.4-83.7000113.3S202S202-Y204 VanDerWaalsContact C-N 3.28Å; S202-Y204 PolarHBondContact O-N 2.84Å
205S44.3Very low63.1Low66 Ų6686.1 Ų86.146%0.46246%0.464SS..SBendtrans85.1-8.1162.3110.80000122.9V207S205-V207 PolarHBondContact O-N 2.86Å
206F52Low63.6Low54 Ų5486.1 Ų86.124%0.23746%0.464CS..  trans-91.517.1-175.7-142.2-95.3000116.7T260 E261 F264F206-T260 HydrophobicContact CE2-CG2 3.82Å; F206-T260 HydrophobicContact CZ-CG2 3.97Å; F206-E261 HydrophobicContact CE2-CB 4.1Å; F206-E261 HydrophobicContact CZ-CB 4.4Å; F206-F264 HydrophobicContact CE1-CG 4.47Å; F206-F264 HydrophobicContact CZ-CB 4.33Å
207V57.6Low64.3Low116 Ų11680.1 Ų80.170%0.70344%0.438SS*.SBendtrans-89.5-34-162.7-175.70000114.2S205 S211S205-V207 PolarHBondContact O-N 2.86Å; V207-S211 PolarHBondContact O-N 2.89Å
208E60.6Low65Low136 Ų13679.1 Ų79.164%0.63644%0.435SS*.Hα-helixtrans-85.1-40.1-158.2-155.4175.7-11100114.6K210 S211E208-K210 VanDerWaalsContact C-N 3.27Å; E208-K210 PolarHBondContact O-N 3.41Å; E208-S211 PolarHBondContact O-OG 3.08Å
209S74.2Confident66.1Low1 Ų179 Ų791%0.00742%0.42CS..Hα-helixtrans-72.5-22.7171.1-62.90000112.9F212 V213 E261S209-F212 PolarHBondContact O-N 3.4Å; S209-V213 WeakPolarHBondContact O-CG2 3.28Å; S209-V213 PolarHBondContact O-N 2.82Å; S209-E261 WeakPolarHBondContact CB-OE1 3.31Å; S209-E261 PolarHBondContact OG-OE1 3.22Å
210K76.4Confident67.8Low30 Ų3073.5 Ų73.513%0.1339%0.39CS..Hα-helixtrans-68.8-41.3-178.4-179165.1168.3158.40112.3C195 D199 E208 L214C195-K210 WeakPolarHBondContact O-CE 3.35Å; C195-K210 PolarHBondContact O-NZ 3.3Å; D199-K210 IonicContact OD1-NZ 2.72Å; D199-K210 PolarHBondContact OD1-NZ 2.64Å; D199-K210 IonicContact OD2-NZ 3.27Å; D199-K210 PolarHBondContact OD2-NZ 3.3Å; E208-K210 VanDerWaalsContact C-N 3.27Å; E208-K210 PolarHBondContact O-N 3.41Å; K210-L214 HydrophobicContact CG-CD1 4.35Å; K210-L214 WeakPolarHBondContact O-CB 3.32Å; K210-L214 VanDerWaalsContact O-CG 3.27Å; K210-L214 WeakPolarHBondContact O-CG 3.45Å; K210-L214 PolarHBondContact O-N 2.71Å; K210-L214 VanDerWaalsContact O-N 3.15Å
211S75.7Confident69.9Low72 Ų7272 Ų7250%0.50337%0.372SS..Hα-helixtrans-64.8-45.6172.960.10000111.6V207 E208 V213 L214 E215V207-S211 PolarHBondContact O-N 2.89Å; E208-S211 PolarHBondContact O-OG 3.08Å; S211-V213 PolarHBondContact O-N 3.18Å; S211-L214 PolarHBondContact O-N 2.89Å; S211-E215 WeakPolarHBondContact O-CB 2.83Å; S211-E215 PolarHBondContact O-N 2.81Å
212F80Confident72.1Confident47 Ų4765.8 Ų65.821%0.20634%0.339CS..Hα-helixtrans-57.8-47.5178.5179.5-107.5000112.7S209 E215 M216 L242 L243 K246S209-F212 PolarHBondContact O-N 3.4Å; F212-E215 PolarHBondContact O-N 2.83Å; F212-M216 VanDerWaalsContact O-CB 3.29Å; F212-M216 WeakPolarHBondContact O-CB 3.3Å; F212-M216 PolarHBondContact O-N 3.38Å; F212-L242 HydrophobicContact CZ-CB 4.27Å; F212-L243 HydrophobicContact CD1-CD1 4.35Å; F212-L243 HydrophobicContact CE1-CD1 3.58Å; F212-L243 HydrophobicContact CE1-CG 4.15Å; F212-L243 HydrophobicContact CZ-CD1 4.29Å; F212-K246 HydrophobicContact CD1-CD 4.45Å; F212-K246 HydrophobicContact CE1-CD 4.36Å
213V84.1Confident74.3Confident0 Ų060.8 Ų60.80%031%0.305CS..Hα-helixtrans-66.5-37.6176.71710000112V191 S209 S211 M216 L217 F264 L265 A268V191-V213 HydrophobicContact CG1-CG1 3.98Å; S209-V213 WeakPolarHBondContact O-CG2 3.28Å; S209-V213 PolarHBondContact O-N 2.82Å; S211-V213 PolarHBondContact O-N 3.18Å; V213-M216 HydrophobicContact CG1-CE 4.31Å; V213-M216 WeakPolarHBondContact O-CB 3.24Å; V213-M216 PolarHBondContact O-N 2.84Å; V213-L217 HydrophobicContact CG1-CD1 4.24Å; V213-L217 VanDerWaalsContact O-CG 3.28Å; V213-L217 WeakPolarHBondContact O-CG 3.43Å; V213-L217 PolarHBondContact O-N 3.41Å; V213-F264 HydrophobicContact CB-CE1 3.83Å; V213-F264 HydrophobicContact CB-CZ 3.91Å; V213-F264 HydrophobicContact CG1-CE1 4.29Å; V213-F264 HydrophobicContact CG1-CZ 3.99Å; V213-F264 HydrophobicContact CG2-CD1 4.33Å; V213-F264 HydrophobicContact CG2-CE1 3.6Å; V213-F264 HydrophobicContact CG2-CZ 4.15Å; V213-L265 HydrophobicContact CG2-CD2 4.16Å; V213-A268 HydrophobicContact CB-CB 4.49Å; V213-A268 HydrophobicContact CG1-CB 3.79Å; V213-A268 HydrophobicContact CG2-CB 3.8Å
214L85.4Confident76.5Confident58 Ų5852.4 Ų52.430%0.30427%0.266SS..Hα-helixtrans-67.7-38.1175.7-72.5170.7000112.3E192 C195 K210 S211 L217 S218E192-L214 HydrophobicContact CG-CD2 3.95Å; C195-L214 HydrophobicContact CB-CD2 3.88Å; C195-L214 HydrophobicContact CB-CG 4.27Å; K210-L214 HydrophobicContact CG-CD1 4.35Å; K210-L214 WeakPolarHBondContact O-CB 3.32Å; K210-L214 VanDerWaalsContact O-CG 3.27Å; K210-L214 WeakPolarHBondContact O-CG 3.45Å; K210-L214 PolarHBondContact O-N 2.71Å; K210-L214 VanDerWaalsContact O-N 3.15Å; S211-L214 PolarHBondContact O-N 2.89Å; L214-L217 PolarHBondContact O-N 3.43Å; L214-S218 WeakPolarHBondContact O-CB 3.42Å; L214-S218 PolarHBondContact O-N 2.91Å
215E82Confident78.7Confident99 Ų9946.3 Ų46.346%0.46325%0.251SS..Hα-helixtrans-68.2-40.1175.4-157.3-147174.200111.6S211 F212 S218 K219S211-E215 WeakPolarHBondContact O-CB 2.83Å; S211-E215 PolarHBondContact O-N 2.81Å; F212-E215 PolarHBondContact O-N 2.83Å; E215-S218 WeakPolarHBondContact O-CB 3.13Å; E215-S218 PolarHBondContact O-N 2.89Å; E215-K219 WeakPolarHBondContact O-CG 3.34Å; E215-K219 PolarHBondContact O-N 2.6Å; E215-K219 WeakPolarHBondContact OE1-CE 3.41Å; E215-K219 IonicContact OE1-NZ 3.73Å; E215-K219 PolarHBondContact OE1-NZ 3.07Å; E215-K219 IonicContact OE2-NZ 2.71Å; E215-K219 PolarHBondContact OE2-NZ 3.42Å
216M86.4Confident80.8Confident2 Ų245.4 Ų45.41%0.0124%0.239CC..Hα-helixtrans-57.8-48.1171.8-179-147.671.300111.8F212 V213 S218 K219 G220 Q239 L243 A268 L272F212-M216 VanDerWaalsContact O-CB 3.29Å; F212-M216 WeakPolarHBondContact O-CB 3.3Å; F212-M216 PolarHBondContact O-N 3.38Å; V213-M216 HydrophobicContact CG1-CE 4.31Å; V213-M216 WeakPolarHBondContact O-CB 3.24Å; V213-M216 PolarHBondContact O-N 2.84Å; M216-S218 VanDerWaalsContact C-N 3.33Å; M216-S218 PolarHBondContact O-N 3.42Å; M216-K219 PolarHBondContact O-N 3.48Å; M216-G220 PolarHBondContact O-N 3.32Å; M216-G220 VanDerWaalsContact O-N 3.08Å; M216-Q239 HydrophobicContact CG-CB 3.68Å; M216-Q239 HydrophobicContact CG-CG 3.58Å; M216-Q239 HydrophobicContact SD-CB 4.31Å; M216-L243 HydrophobicContact CG-CD1 4.38Å; M216-L243 HydrophobicContact SD-CD1 3.46Å; M216-L243 WeakPolarHBondContact SD-CD1 3.35Å; M216-A268 HydrophobicContact CE-CB 4.37Å; M216-L272 HydrophobicContact CE-CD2 4.14Å; M216-L272 HydrophobicContact CE-CG 4.29Å; M216-L272 HydrophobicContact CG-CD2 4.47Å; M216-L272 HydrophobicContact SD-CD1 3.64Å; M216-L272 HydrophobicContact SD-CD2 3.89Å; M216-L272 HydrophobicContact SD-CG 3.89Å
217L88.6Confident82.6Confident3 Ų342.9 Ų42.92%0.01623%0.228CC..Hα-helixtrans-64.4-37175.5-68.8172.9000111.7M188 V191 E192 V213 L214 R221M188-L217 HydrophobicContact CB-CD2 3.89Å; M188-L217 HydrophobicContact CE-CB 4.16Å; M188-L217 HydrophobicContact CE-CD2 3.79Å; M188-L217 WeakPolarHBondContact CE-O 3.38Å; M188-L217 HydrophobicContact CG-CD2 4Å; V191-L217 HydrophobicContact CB-CD1 4.2Å; V191-L217 HydrophobicContact CG1-CD1 4.07Å; E192-L217 HydrophobicContact CB-CD1 4Å; V213-L217 HydrophobicContact CG1-CD1 4.24Å; V213-L217 VanDerWaalsContact O-CG 3.28Å; V213-L217 WeakPolarHBondContact O-CG 3.43Å; V213-L217 PolarHBondContact O-N 3.41Å; L214-L217 PolarHBondContact O-N 3.43Å; L217-R221 VanDerWaalsContact O-CB 3.28Å; L217-R221 WeakPolarHBondContact O-CB 3.28Å; L217-R221 PolarHBondContact O-N 3.1Å
218S87.2Confident84.2Confident68 Ų6837.4 Ų37.448%0.47619%0.194SC..Hα-helixtrans-61.6-51.8174.5-171.50000111.6L214 E215 M216 G220 R221 T222L214-S218 WeakPolarHBondContact O-CB 3.42Å; L214-S218 PolarHBondContact O-N 2.91Å; E215-S218 WeakPolarHBondContact O-CB 3.13Å; E215-S218 PolarHBondContact O-N 2.89Å; M216-S218 VanDerWaalsContact C-N 3.33Å; M216-S218 PolarHBondContact O-N 3.42Å; S218-G220 PolarHBondContact O-N 3.45Å; S218-R221 PolarHBondContact O-N 2.8Å; S218-T222 PolarHBondContact O-N 2.98Å
219K85.5Confident85.7Confident48 Ų4830.9 Ų30.921%0.20916%0.164CC..Hα-helixtrans-54.4-49.6177.1-74.1163.7179.2165.40112E215 M216 R221 T222 S223 T235 Y333E215-K219 WeakPolarHBondContact O-CG 3.34Å; E215-K219 PolarHBondContact O-N 2.6Å; E215-K219 WeakPolarHBondContact OE1-CE 3.41Å; E215-K219 IonicContact OE1-NZ 3.73Å; E215-K219 PolarHBondContact OE1-NZ 3.07Å; E215-K219 IonicContact OE2-NZ 2.71Å; E215-K219 PolarHBondContact OE2-NZ 3.42Å; M216-K219 PolarHBondContact O-N 3.48Å; K219-R221 PolarHBondContact O-N 3.47Å; K219-T222 PolarHBondContact O-N 3.02Å; K219-S223 PolarHBondContact O-N 3.47Å; K219-T235 HydrophobicContact CB-CG2 4.45Å; K219-Y333 HydrophobicContact CB-CD1 4.22Å; K219-Y333 HydrophobicContact CB-CE1 3.86Å; K219-Y333 HydrophobicContact CB-CE2 4.32Å; K219-Y333 HydrophobicContact CD-CE2 4.23Å; K219-Y333 HydrophobicContact CG-CD1 4.35Å; K219-Y333 HydrophobicContact CG-CD2 4.06Å; K219-Y333 HydrophobicContact CG-CE1 4.3Å; K219-Y333 HydrophobicContact CG-CE2 4.01Å; K219-Y333 HydrophobicContact CG-CG 4.25Å
220G88.4Confident86.5Confident0 Ų031.2 Ų31.20%017%0.165CC..Hα-helixtrans-60.7-43.9177.400000113.2M216 S218 S223 L224M216-G220 PolarHBondContact O-N 3.32Å; M216-G220 VanDerWaalsContact O-N 3.08Å; S218-G220 PolarHBondContact O-N 3.45Å; G220-S223 PolarHBondContact O-N 2.86Å; G220-L224 WeakPolarHBondContact O-CB 3.42Å; G220-L224 PolarHBondContact O-N 3.05Å
221R90.6Very high87.1Confident85 Ų8529.8 Ų29.832%0.32116%0.159SC..Hα-helixtrans-67.9-38.5179.8-175.8175.5-67.7152.4-1.1111.9M188 E192 L217 S218 K219 S225M188-R221 HydrophobicContact CE-CB 4.24Å; E192-R221 IonicContact OE1-NH1 3.06Å; E192-R221 IonicContact OE2-CZ 2.74Å; E192-R221 IonicContact OE2-NH1 2.86Å; E192-R221 PolarHBondContact OE2-NH1 1.98Å; E192-R221 IonicContact OE2-NH2 3.2Å; E192-R221 PolarHBondContact OE2-NH2 3.33Å; L217-R221 VanDerWaalsContact O-CB 3.28Å; L217-R221 WeakPolarHBondContact O-CB 3.28Å; L217-R221 PolarHBondContact O-N 3.1Å; S218-R221 PolarHBondContact O-N 2.8Å; K219-R221 PolarHBondContact O-N 3.47Å; R221-S225 WeakPolarHBondContact O-CB 3.36Å; R221-S225 PolarHBondContact O-N 2.78Å; R221-S225 PolarHBondContact O-OG 3.19Å
222T87.4Confident87.9Confident18 Ų1826.3 Ų26.311%0.1114%0.135CC..Hα-helixtrans-60.4-52.5171.1-79.40000110.8S218 K219 L224 S225 K226 Q331 Y333 V334S218-T222 PolarHBondContact O-N 2.98Å; K219-T222 PolarHBondContact O-N 3.02Å; T222-L224 VanDerWaalsContact C-N 3.34Å; T222-L224 PolarHBondContact O-N 3.05Å; T222-S225 PolarHBondContact O-N 2.92Å; T222-S225 PolarHBondContact O-OG 2.87Å; T222-K226 VanDerWaalsContact O-CB 3.29Å; T222-K226 WeakPolarHBondContact O-CB 3.49Å; T222-K226 PolarHBondContact O-N 2.92Å; T222-Q331 PolarHBondContact OG1-OE1 3.3Å; T222-Y333 HydrophobicContact CG2-CD1 4.26Å; T222-V334 HydrophobicContact CG2-CG2 3.47Å; T222-V334 VanDerWaalsContact CG2-CG2 3.47Å
223S88.9Confident88.4Confident0 Ų024.3 Ų24.30%013%0.127CC..Hα-helixtrans-59.1-43.2178.6-90.20000112.8K219 G220 S225 I227 G228 S231 T235K219-S223 PolarHBondContact O-N 3.47Å; G220-S223 PolarHBondContact O-N 2.86Å; S223-S225 PolarHBondContact O-N 3.07Å; S223-I227 PolarHBondContact O-N 2.69Å; S223-G228 PolarHBondContact O-N 2.99Å; S223-S231 WeakPolarHBondContact CB-OG 3.25Å; S223-S231 PolarHBondContact OG-OG 3.44Å; S223-T235 PolarHBondContact OG-OG1 3.34Å; S223-T235 VanDerWaalsContact OG-OG1 3.08Å
224L88.8Confident88.7Confident6 Ų629 Ų293%0.03114%0.144CC..Hα-helixtrans-62.2-39.6179.5-163.177.3000113S181 I184 G220 T222 L229 A232S181-L224 WeakPolarHBondContact OG-CD2 3.48Å; I184-L224 HydrophobicContact CB-CD2 4.36Å; I184-L224 HydrophobicContact CD1-CD1 4.36Å; I184-L224 HydrophobicContact CG2-CD2 4.12Å; G220-L224 WeakPolarHBondContact O-CB 3.42Å; G220-L224 PolarHBondContact O-N 3.05Å; T222-L224 VanDerWaalsContact C-N 3.34Å; T222-L224 PolarHBondContact O-N 3.05Å; L224-L229 HydrophobicContact CD1-CD2 3.63Å; L224-A232 HydrophobicContact CB-CB 4.18Å; L224-A232 HydrophobicContact CD1-CB 3.61Å
225S88.3Confident88.8Confident64 Ų6426.2 Ų26.245%0.44813%0.13SC..Hα-helixtrans-96.4-24.8-173.959.90000115.2R221 T222 S223R221-S225 WeakPolarHBondContact O-CB 3.36Å; R221-S225 PolarHBondContact O-N 2.78Å; R221-S225 PolarHBondContact O-OG 3.19Å; T222-S225 PolarHBondContact O-N 2.92Å; T222-S225 PolarHBondContact O-OG 2.87Å; S223-S225 PolarHBondContact O-N 3.07Å
226K88.1Confident89.2Confident47 Ų4721.6 Ų21.620%0.20411%0.108CC..Hα-helixtrans-102.5-21.2179.2-72.8-70.6-163.7167.60113.8T222 V297 R299 V334 Y418 D419T222-K226 VanDerWaalsContact O-CB 3.29Å; T222-K226 WeakPolarHBondContact O-CB 3.49Å; T222-K226 PolarHBondContact O-N 2.92Å; K226-V297 WeakPolarHBondContact O-CG2 3.47Å; K226-R299 VanDerWaalsContact CD-NH2 3.26Å; K226-V334 HydrophobicContact CB-CG2 3.88Å; K226-V334 HydrophobicContact CG-CG2 4.14Å; K226-Y418 PolarHBondContact O-OH 3.23Å; K226-D419 IonicContact NZ-OD1 2.8Å; K226-D419 PolarHBondContact NZ-OD1 3.4Å
227I90.7Very high89.4Confident1 Ų125.4 Ų25.41%0.00513%0.128CC..THydrogen-bonded Turntrans-128.8-42.5-176.7-60.3173.4000112.1S223 S231 V296 V297 V300 V334 Q337 L338 L341S223-I227 PolarHBondContact O-N 2.69Å; I227-S231 VanDerWaalsContact CG2-CB 3.47Å; I227-V296 CarbonylContact O-C 3.6Å; I227-V296 WeakPolarHBondContact O-CA 3.21Å; I227-V296 VanDerWaalsContact O-CB 3.28Å; I227-V296 WeakPolarHBondContact O-CB 3.38Å; I227-V297 PolarHBondContact O-N 3.22Å; I227-V300 HydrophobicContact CG2-CG2 4.48Å; I227-V334 HydrophobicContact CD1-CG1 4.13Å; I227-V334 HydrophobicContact CG1-CG1 4.33Å; I227-Q337 HydrophobicContact CD1-CB 3.27Å; I227-Q337 HydrophobicContact CD1-CG 4.42Å; I227-L338 HydrophobicContact CD1-CG 4.16Å; I227-L341 HydrophobicContact CG2-CD2 4.16Å
228G91.3Very high89.2Confident0 Ų031.6 Ų31.60%015%0.151CC..BIsolated β-bridgetrans121.8-172173.800000114S223 W230 S231 A232 L295S223-G228 PolarHBondContact O-N 2.99Å; G228-W230 VanDerWaalsContact C-N 3.33Å; G228-W230 PolarHBondContact O-N 3.47Å; G228-S231 PolarHBondContact O-N 3.22Å; G228-A232 WeakPolarHBondContact O-CB 3.3Å; G228-A232 PolarHBondContact O-N 3.44Å; G228-L295 CarbonylContact C-O 3.53Å
229L91.6Very high89.2Confident0 Ų028.7 Ų28.70%013%0.13CC..Hα-helixtrans-61.2-37.2-167.4-64.3-161.3000113.8W177 V180 L224 A232 S233 L279 L282 L295W177-L229 HydrophobicContact CB-CD1 3.7Å; W177-L229 HydrophobicContact CB-CG 4.39Å; W177-L229 HydrophobicContact CD2-CD1 3.93Å; W177-L229 HydrophobicContact CD2-CD2 4.04Å; W177-L229 HydrophobicContact CD2-CG 3.58Å; W177-L229 HydrophobicContact CE3-CD1 4.1Å; W177-L229 HydrophobicContact CE3-CD2 3.45Å; W177-L229 VanDerWaalsContact CE3-CD2 3.45Å; W177-L229 HydrophobicContact CE3-CG 3.56Å; W177-L229 HydrophobicContact CG-CD1 3.76Å; W177-L229 HydrophobicContact CG-CG 3.95Å; W177-L229 HydrophobicContact CH2-CD2 4.46Å; W177-L229 HydrophobicContact CZ3-CD2 3.7Å; W177-L229 HydrophobicContact CZ3-CG 4.06Å; V180-L229 HydrophobicContact CB-CD1 4.41Å; V180-L229 HydrophobicContact CG1-CD1 4.27Å; L224-L229 HydrophobicContact CD1-CD2 3.63Å; L229-A232 PolarHBondContact O-N 3.09Å; L229-S233 PolarHBondContact O-N 2.86Å; L229-L279 HydrophobicContact CB-CD2 3.79Å; L229-L279 HydrophobicContact CD1-CD2 4.06Å; L229-L279 HydrophobicContact CD2-CD2 3.83Å; L229-L279 HydrophobicContact CG-CD2 4.09Å; L229-L282 HydrophobicContact CD1-CD1 3.66Å; L229-L295 HydrophobicContact CD1-CD2 4.47Å; L229-L295 PolarHBondContact N-O 3.11Å
230W91.7Very high89.4Confident7 Ų727.6 Ų27.63%0.02713%0.126CC..Hα-helixtrans-64.3-47-179.5-179.197.1000112.3G228 S233 R234 L292 V340 L341 E344G228-W230 VanDerWaalsContact C-N 3.33Å; G228-W230 PolarHBondContact O-N 3.47Å; W230-S233 PolarHBondContact O-N 3.4Å; W230-R234 VanDerWaalsContact CH2-NH1 3.3Å; W230-R234 VanDerWaalsContact CZ2-NH1 3.26Å; W230-R234 PolarHBondContact O-N 2.68Å; W230-L292 HydrophobicContact CB-CD1 3.74Å; W230-L292 VanDerWaalsContact CD1-CD1 3.46Å; W230-L292 HydrophobicContact CD2-CD1 3.76Å; W230-L292 HydrophobicContact CE3-CD1 4.48Å; W230-L292 HydrophobicContact CG-CD1 3.37Å; W230-V340 HydrophobicContact CH2-CG1 4.22Å; W230-L341 HydrophobicContact CD2-CD1 4.11Å; W230-L341 HydrophobicContact CE3-CD1 3.41Å; W230-L341 VanDerWaalsContact CE3-CD1 3.41Å; W230-L341 HydrophobicContact CH2-CD1 4.34Å; W230-L341 HydrophobicContact CZ3-CB 3.96Å; W230-L341 HydrophobicContact CZ3-CD1 3.56Å; W230-L341 HydrophobicContact CZ3-CG 4.37Å; W230-E344 HydrophobicContact CH2-CB 3.67Å; W230-E344 HydrophobicContact CH2-CG 4.09Å; W230-E344 HydrophobicContact CZ2-CB 3.55Å; W230-E344 HydrophobicContact CZ2-CG 3.41Å; W230-E344 VanDerWaalsContact CZ2-CG 3.41Å
231S89.6Confident89.2Confident0 Ų033.5 Ų33.50%016%0.156CC..Hα-helixtrans-68.3-36.3176170.90000111.3S223 I227 G228 S233 T235 Q337S223-S231 WeakPolarHBondContact CB-OG 3.25Å; S223-S231 PolarHBondContact OG-OG 3.44Å; I227-S231 VanDerWaalsContact CG2-CB 3.47Å; G228-S231 PolarHBondContact O-N 3.22Å; S231-S233 VanDerWaalsContact C-N 3.34Å; S231-S233 PolarHBondContact O-N 2.68Å; S231-T235 VanDerWaalsContact O-CB 3.28Å; S231-T235 WeakPolarHBondContact O-CB 3.48Å; S231-T235 PolarHBondContact O-N 3.38Å; S231-T235 PolarHBondContact O-OG1 3.08Å; S231-Q337 VanDerWaalsContact OG-CD 3.28Å; S231-Q337 PolarHBondContact OG-OE1 3.04Å
232A91.2Very high88.8Confident0 Ų033 Ų330%016%0.16CC..Hα-helixtrans-61.2-41.7173.800000111.7L224 G228 L229 T235 F236 L279L224-A232 HydrophobicContact CB-CB 4.18Å; L224-A232 HydrophobicContact CD1-CB 3.61Å; G228-A232 WeakPolarHBondContact O-CB 3.3Å; G228-A232 PolarHBondContact O-N 3.44Å; L229-A232 PolarHBondContact O-N 3.09Å; A232-T235 WeakPolarHBondContact O-CB 3.47Å; A232-T235 PolarHBondContact O-N 3.39Å; A232-F236 HydrophobicContact CB-CD2 4.33Å; A232-F236 HydrophobicContact CB-CE2 3.86Å; A232-F236 WeakPolarHBondContact O-CD2 3.38Å; A232-F236 WeakPolarHBondContact O-CG 3.27Å; A232-F236 PolarHBondContact O-N 2.95Å; A232-L279 HydrophobicContact CB-CD1 4.32Å
233S91.8Very high88.7Confident5 Ų532.1 Ų32.14%0.03515%0.154CC..Hα-helixtrans-61-52177.6-1740000112.3L229 W230 S231 T235 F236 L237L229-S233 PolarHBondContact O-N 2.86Å; W230-S233 PolarHBondContact O-N 3.4Å; S231-S233 VanDerWaalsContact C-N 3.34Å; S231-S233 PolarHBondContact O-N 2.68Å; S233-T235 VanDerWaalsContact C-N 3.26Å; S233-T235 PolarHBondContact O-N 3.06Å; S233-F236 PolarHBondContact O-N 2.86Å; S233-L237 WeakPolarHBondContact O-CG 3.43Å; S233-L237 PolarHBondContact O-N 3.17Å
234R89.2Confident88.6Confident97 Ų9735.6 Ų35.637%0.36617%0.17SC..Hα-helixtrans-61.4-34.1174.8-74.4-168.6169.81774112.6W230 R238 E344W230-R234 VanDerWaalsContact CH2-NH1 3.3Å; W230-R234 VanDerWaalsContact CZ2-NH1 3.26Å; W230-R234 PolarHBondContact O-N 2.68Å; R234-R238 PolarHBondContact O-N 3.33Å; R234-R238 VanDerWaalsContact O-N 3.11Å; R234-E344 IonicContact CZ-OE2 2.66Å; R234-E344 IonicContact NH1-OE2 3.94Å; R234-E344 PolarHBondContact NH1-OE2 2.89Å; R234-E344 IonicContact NH2-OE1 2.62Å; R234-E344 PolarHBondContact NH2-OE1 2.81Å; R234-E344 IonicContact NH2-OE2 3.18Å; R234-E344 PolarHBondContact NH2-OE2 3.3Å
235T87.5Confident88.1Confident0 Ų037.7 Ų37.70%019%0.187CC..Hα-helixtrans-62.3-55173.3-62.90000111.4K219 S223 S231 A232 S233 L237 R238 Q239 Y333 Q337K219-T235 HydrophobicContact CB-CG2 4.45Å; S223-T235 PolarHBondContact OG-OG1 3.34Å; S223-T235 VanDerWaalsContact OG-OG1 3.08Å; S231-T235 VanDerWaalsContact O-CB 3.28Å; S231-T235 WeakPolarHBondContact O-CB 3.48Å; S231-T235 PolarHBondContact O-N 3.38Å; S231-T235 PolarHBondContact O-OG1 3.08Å; A232-T235 WeakPolarHBondContact O-CB 3.47Å; A232-T235 PolarHBondContact O-N 3.39Å; S233-T235 VanDerWaalsContact C-N 3.26Å; S233-T235 PolarHBondContact O-N 3.06Å; T235-L237 PolarHBondContact O-N 3.45Å; T235-R238 PolarHBondContact O-N 3.41Å; T235-Q239 HydrophobicContact CG2-CG 4.35Å; T235-Q239 WeakPolarHBondContact O-CG 3.47Å; T235-Q239 PolarHBondContact O-N 2.93Å; T235-Y333 HydrophobicContact CG2-CE1 4.12Å; T235-Y333 VanDerWaalsContact CG2-OH 3.3Å; T235-Y333 WeakPolarHBondContact CG2-OH 3.24Å; T235-Y333 PolarHBondContact OG1-OH 3.37Å; T235-Q337 PolarHBondContact OG1-NE2 3.42Å
236F91.4Very high87.6Confident2 Ų237.4 Ų37.41%0.00918%0.178CC..Hα-helixtrans-64.1-38.9-177.3-62.8-50.5000112.1I184 M188 A232 S233 Q239 E240 L272 A275 I276 L279I184-F236 HydrophobicContact CG2-CE2 3.93Å; I184-F236 HydrophobicContact CG2-CZ 3.86Å; M188-F236 HydrophobicContact CE-CE1 3.87Å; M188-F236 HydrophobicContact CE-CZ 4.21Å; M188-F236 HydrophobicContact SD-CE1 3.98Å; M188-F236 HydrophobicContact SD-CZ 3.77Å; A232-F236 HydrophobicContact CB-CD2 4.33Å; A232-F236 HydrophobicContact CB-CE2 3.86Å; A232-F236 WeakPolarHBondContact O-CD2 3.38Å; A232-F236 WeakPolarHBondContact O-CG 3.27Å; A232-F236 PolarHBondContact O-N 2.95Å; S233-F236 PolarHBondContact O-N 2.86Å; F236-Q239 PolarHBondContact O-N 2.8Å; F236-E240 WeakPolarHBondContact O-CB 3.35Å; F236-E240 PolarHBondContact O-N 2.96Å; F236-L272 HydrophobicContact CB-CD2 4.16Å; F236-L272 HydrophobicContact CD1-CD2 3.55Å; F236-L272 HydrophobicContact CE1-CD2 4.39Å; F236-L272 HydrophobicContact CG-CD2 4.25Å; F236-A275 HydrophobicContact CD2-CB 3.89Å; F236-A275 HydrophobicContact CE2-CB 3.93Å; F236-A275 HydrophobicContact CG-CB 4.27Å; F236-A275 HydrophobicContact CZ-CB 4.32Å; F236-I276 HydrophobicContact CB-CD1 4.19Å; F236-I276 HydrophobicContact CB-CG1 3.71Å; F236-L279 HydrophobicContact CD2-CD1 3.57Å; F236-L279 HydrophobicContact CE2-CD1 3.81Å
237L89.4Confident87.2Confident82 Ų8237.2 Ų37.243%0.42918%0.179SC..Hα-helixtrans-58.1-47.2171.9-78.4163.2000112.2S233 T235 Q239 E240 L241 I276S233-L237 WeakPolarHBondContact O-CG 3.43Å; S233-L237 PolarHBondContact O-N 3.17Å; T235-L237 PolarHBondContact O-N 3.45Å; L237-Q239 VanDerWaalsContact C-N 3.34Å; L237-Q239 PolarHBondContact O-N 3.24Å; L237-E240 PolarHBondContact O-N 3.44Å; L237-L241 PolarHBondContact O-N 2.97Å; L237-I276 HydrophobicContact CD2-CD1 4.16Å; L237-I276 HydrophobicContact CD2-CG2 4.25Å; L237-I276 HydrophobicContact CG-CD1 4.31Å; L237-I276 HydrophobicContact CG-CG1 4.42Å
238R84.7Confident86.6Confident134 Ų13444.3 Ų44.351%0.50621%0.212SC..Hα-helixtrans-64.4-37.8176.1-176.9171.7179157.15.4112.1R234 T235 L242 Y336R234-R238 PolarHBondContact O-N 3.33Å; R234-R238 VanDerWaalsContact O-N 3.11Å; T235-R238 PolarHBondContact O-N 3.41Å; R238-L242 HydrophobicContact CG-CD1 4.34Å; R238-L242 WeakPolarHBondContact O-CG 3.44Å; R238-L242 PolarHBondContact O-N 2.71Å; R238-Y336 PolarHBondContact NH1-OH 3.3Å; R238-Y336 VanDerWaalsContact NH1-OH 3.11Å
239Q86.5Confident85.5Confident7 Ų747.6 Ų47.63%0.03324%0.235CC..Hα-helixtrans-68.9-34.8176-65.4-43.6-85.200112.4M216 T235 F236 L237 L241 L242 L243 L272M216-Q239 HydrophobicContact CG-CB 3.68Å; M216-Q239 HydrophobicContact CG-CG 3.58Å; M216-Q239 HydrophobicContact SD-CB 4.31Å; T235-Q239 HydrophobicContact CG2-CG 4.35Å; T235-Q239 WeakPolarHBondContact O-CG 3.47Å; T235-Q239 PolarHBondContact O-N 2.93Å; F236-Q239 PolarHBondContact O-N 2.8Å; L237-Q239 VanDerWaalsContact C-N 3.34Å; L237-Q239 PolarHBondContact O-N 3.24Å; Q239-L241 VanDerWaalsContact C-N 3.34Å; Q239-L242 PolarHBondContact O-N 2.64Å; Q239-L243 PolarHBondContact O-N 2.93Å; Q239-L272 HydrophobicContact CB-CD1 3.83Å; Q239-L272 HydrophobicContact CB-CD2 3.99Å
240E90.1Very high83.9Confident24 Ų2450.7 Ų50.711%0.11227%0.267CS..Hα-helixtrans-64.4-42.1178-163-157.6175.700110.7F236 L237 L243 K244 L269 L272 Q273 I276F236-E240 WeakPolarHBondContact O-CB 3.35Å; F236-E240 PolarHBondContact O-N 2.96Å; L237-E240 PolarHBondContact O-N 3.44Å; E240-L243 PolarHBondContact O-N 3.19Å; E240-K244 WeakPolarHBondContact O-CG 3.18Å; E240-K244 PolarHBondContact O-N 2.9Å; E240-K244 WeakPolarHBondContact OE1-CE 3.34Å; E240-K244 IonicContact OE1-NZ 2.71Å; E240-K244 PolarHBondContact OE1-NZ 2.96Å; E240-K244 IonicContact OE2-NZ 3.41Å; E240-L269 HydrophobicContact CG-CD1 3.5Å; E240-L269 VanDerWaalsContact CG-CD1 3.5Å; E240-L272 HydrophobicContact CB-CD1 4.18Å; E240-Q273 HydrophobicContact CG-CG 4.34Å; E240-Q273 VanDerWaalsContact OE1-CG 3.31Å; E240-Q273 WeakPolarHBondContact OE1-CG 3.45Å; E240-Q273 PolarHBondContact OE1-NE2 2.67Å; E240-I276 HydrophobicContact CB-CD1 4.06Å; E240-I276 HydrophobicContact CG-CD1 4.39Å
241L84.9Confident82Confident124 Ų12457 Ų5765%0.64930%0.3SS*.Hα-helixtrans-64.1-44.6177.8-144.8164.2000111.3L237 Q239 L243 K244 A245L237-L241 PolarHBondContact O-N 2.97Å; Q239-L241 VanDerWaalsContact C-N 3.34Å; L241-L243 PolarHBondContact O-N 3.17Å; L241-K244 PolarHBondContact O-N 3.17Å; L241-A245 PolarHBondContact O-N 2.81Å
242L82.4Confident80.2Confident74 Ų7459 Ų5939%0.38731%0.31SS..Hα-helixtrans-64.6-37.3174.7-69.2169.1000112.9F212 R238 Q239 K246F212-L242 HydrophobicContact CZ-CB 4.27Å; R238-L242 HydrophobicContact CG-CD1 4.34Å; R238-L242 WeakPolarHBondContact O-CG 3.44Å; R238-L242 PolarHBondContact O-N 2.71Å; Q239-L242 PolarHBondContact O-N 2.64Å; L242-K246 PolarHBondContact O-N 3.18Å; L242-K246 VanDerWaalsContact O-N 3.09Å
243L84.7Confident78.1Confident0 Ų063.4 Ų63.40%034%0.339CS..Hα-helixtrans-69.9-37.3176.1-112.591.9000112.8F212 M216 Q239 E240 L241 K246 L247 L265 A268 L269 L272F212-L243 HydrophobicContact CD1-CD1 4.35Å; F212-L243 HydrophobicContact CE1-CD1 3.58Å; F212-L243 HydrophobicContact CE1-CG 4.15Å; F212-L243 HydrophobicContact CZ-CD1 4.29Å; M216-L243 HydrophobicContact CG-CD1 4.38Å; M216-L243 HydrophobicContact SD-CD1 3.46Å; M216-L243 WeakPolarHBondContact SD-CD1 3.35Å; Q239-L243 PolarHBondContact O-N 2.93Å; E240-L243 PolarHBondContact O-N 3.19Å; L241-L243 PolarHBondContact O-N 3.17Å; L243-K246 PolarHBondContact O-N 3.1Å; L243-L247 WeakPolarHBondContact O-CB 3.5Å; L243-L247 WeakPolarHBondContact O-CG 3.32Å; L243-L247 PolarHBondContact O-N 3.28Å; L243-L265 HydrophobicContact CD2-CD2 4.47Å; L243-L265 VanDerWaalsContact CD2-O 3.29Å; L243-L265 WeakPolarHBondContact CD2-O 3.21Å; L243-A268 HydrophobicContact CD2-CB 3.77Å; L243-L269 HydrophobicContact CB-CD1 4.15Å; L243-L269 HydrophobicContact CD2-CB 3.96Å; L243-L272 HydrophobicContact CD1-CD1 4.29Å
244K86.6Confident76Confident74 Ų7469 Ų6932%0.32238%0.375SS..Hα-helixtrans-62.3-50.6173.9-75.1171.4-176166.60110.6E240 L241 K246 L247 E248 L269E240-K244 WeakPolarHBondContact O-CG 3.18Å; E240-K244 PolarHBondContact O-N 2.9Å; E240-K244 WeakPolarHBondContact OE1-CE 3.34Å; E240-K244 IonicContact OE1-NZ 2.71Å; E240-K244 PolarHBondContact OE1-NZ 2.96Å; E240-K244 IonicContact OE2-NZ 3.41Å; L241-K244 PolarHBondContact O-N 3.17Å; K244-K246 VanDerWaalsContact C-N 3.3Å; K244-K246 PolarHBondContact O-N 3.33Å; K244-L247 CarbonylContact O-C 3.57Å; K244-L247 WeakPolarHBondContact O-CA 3.48Å; K244-L247 WeakPolarHBondContact O-CB 3.23Å; K244-L247 PolarHBondContact O-N 3.1Å; K244-E248 WeakPolarHBondContact O-CB 3.5Å; K244-E248 WeakPolarHBondContact O-CG 3.44Å; K244-E248 PolarHBondContact O-N 3.15Å; K244-L269 HydrophobicContact CG-CD1 4.16Å
245A79.2Confident73.7Confident49 Ų4975.6 Ų75.641%0.40540%0.4SS..Hα-helixtrans-55.2-42.617600000112.7L241 L247 E248 S249L241-A245 PolarHBondContact O-N 2.81Å; A245-L247 VanDerWaalsContact C-N 3.34Å; A245-L247 PolarHBondContact O-N 3.31Å; A245-E248 PolarHBondContact O-N 2.72Å; A245-S249 WeakPolarHBondContact O-CB 3.43Å; A245-S249 PolarHBondContact O-N 3.22Å; A245-S249 PolarHBondContact O-OG 3.27Å
246K77.7Confident71.9Confident59 Ų5977.1 Ų77.126%0.25742%0.416SS..Hα-helixtrans-74.9-17.4176.1-169.9159.9-177.2167.80114.3F212 L242 L243 K244F212-K246 HydrophobicContact CD1-CD 4.45Å; F212-K246 HydrophobicContact CE1-CD 4.36Å; L242-K246 PolarHBondContact O-N 3.18Å; L242-K246 VanDerWaalsContact O-N 3.09Å; L243-K246 PolarHBondContact O-N 3.1Å; K244-K246 VanDerWaalsContact C-N 3.3Å; K244-K246 PolarHBondContact O-N 3.33Å
247L80Confident70.2Confident42 Ų4282.7 Ų82.722%0.2245%0.446CS..Hα-helixtrans-84-21.8169.2-85.3163.5000113L243 K244 A245 R262 L265 L269L243-L247 WeakPolarHBondContact O-CB 3.5Å; L243-L247 WeakPolarHBondContact O-CG 3.32Å; L243-L247 PolarHBondContact O-N 3.28Å; K244-L247 CarbonylContact O-C 3.57Å; K244-L247 WeakPolarHBondContact O-CA 3.48Å; K244-L247 WeakPolarHBondContact O-CB 3.23Å; K244-L247 PolarHBondContact O-N 3.1Å; A245-L247 VanDerWaalsContact C-N 3.34Å; A245-L247 PolarHBondContact O-N 3.31Å; L247-R262 HydrophobicContact CD2-CG 4.01Å; L247-L265 HydrophobicContact CD1-CB 4.35Å; L247-L265 HydrophobicContact CD2-CB 3.83Å; L247-L265 HydrophobicContact CD2-CD1 4.23Å; L247-L265 HydrophobicContact CG-CB 4.08Å; L247-L265 HydrophobicContact CG-CD1 4.44Å; L247-L269 HydrophobicContact CD1-CD2 4.01Å
248E77.7Confident69.1Low151 Ų15183 Ų8371%0.70644%0.443SS*.Hα-helixtrans-96.6-34.5-176.5-73.4161.3-169.800112.7K244 A245 G250K244-E248 WeakPolarHBondContact O-CB 3.5Å; K244-E248 WeakPolarHBondContact O-CG 3.44Å; K244-E248 PolarHBondContact O-N 3.15Å; A245-E248 PolarHBondContact O-N 2.72Å; E248-G250 PolarHBondContact O-N 2.69Å; E248-G250 VanDerWaalsContact O-N 3.12Å
249S67.9Low68.3Low68 Ų6883.8 Ų83.848%0.47645%0.453SS..SBendtrans-67.7-12.4-172.667.60000115.7A245 I251A245-S249 WeakPolarHBondContact O-CB 3.43Å; A245-S249 PolarHBondContact O-N 3.22Å; A245-S249 PolarHBondContact O-OG 3.27Å; S249-I251 PolarHBondContact O-N 2.71Å
250G57Low67.5Low65 Ų6586.7 Ų86.767%0.6747%0.471SS*.  trans68.80.7176.900000115.8E248 L252E248-G250 PolarHBondContact O-N 2.69Å; E248-G250 VanDerWaalsContact O-N 3.12Å; G250-L252 VanDerWaalsContact C-N 3.25Å; G250-L252 PolarHBondContact O-N 2.86Å
251I52.8Low66.7Low139 Ų13986.4 Ų86.471%0.71347%0.47SS*.  trans-76.674.9-178.7-46.9178.9000110.4S249S249-I251 PolarHBondContact O-N 2.71Å
252L52.1Low66.4Low42 Ų4287.3 Ų87.322%0.2247%0.465CS..SBendtrans-129.7128.2161.8-68.8175.5000107.3G250 F258G250-L252 VanDerWaalsContact C-N 3.25Å; G250-L252 PolarHBondContact O-N 2.86Å; L252-F258 HydrophobicContact CB-CD1 4.05Å; L252-F258 HydrophobicContact CB-CE1 3.71Å; L252-F258 HydrophobicContact CD1-CD1 4.37Å
253P46Very low66.3Low94 Ų9489 Ų8961%0.6147%0.474SS*.  trans-66.4142.5-167.925.6-34.5000112R255 F258P253-R255 PolarHBondContact O-N 3.42Å; P253-F258 WeakPolarHBondContact O-CZ 3.23Å
254P47.3Very low66.1Low121 Ų12189.7 Ų89.779%0.78648%0.477SS*.SBendtrans-60.512.3-168.221.2-33.6000118
255R41.9Very low66.1Low236 Ų23686.3 Ų86.389%0.89146%0.462SS*.SBendtrans-143.376-176.7-64.1-176.4178.7171.8-0.3111.2P253P253-R255 PolarHBondContact O-N 3.42Å
256G50Low66.5Low32 Ų3289.2 Ų89.233%0.3347%0.465SS..SBendtrans-164.4171.1177.800000112.2F258G256-F258 VanDerWaalsContact C-N 3.3Å; G256-F258 WeakPolarHBondContact O-CD2 3.32Å; G256-F258 WeakPolarHBondContact O-CE2 3.44Å; G256-F258 PolarHBondContact O-N 3.02Å
257N56Low66.9Low119 Ų11988 Ų8864%0.63647%0.466SS*.  trans-85.368.3-175.1-1565.7000112E259 T260N257-E259 PolarHBondContact O-N 2.87Å; N257-E259 VanDerWaalsContact O-N 3.16Å; N257-T260 PolarHBondContact O-N 3.3Å; N257-T260 VanDerWaalsContact O-N 3.1Å
258F65.4Low67.4Low88 Ų8886 Ų8639%0.38646%0.456SS..Hα-helixtrans-48.8-42.9-164.7-70.9-77.1000116.6L252 P253 G256 T260 E261 R262L252-F258 HydrophobicContact CB-CD1 4.05Å; L252-F258 HydrophobicContact CB-CE1 3.71Å; L252-F258 HydrophobicContact CD1-CD1 4.37Å; P253-F258 WeakPolarHBondContact O-CZ 3.23Å; G256-F258 VanDerWaalsContact C-N 3.3Å; G256-F258 WeakPolarHBondContact O-CD2 3.32Å; G256-F258 WeakPolarHBondContact O-CE2 3.44Å; G256-F258 PolarHBondContact O-N 3.02Å; F258-T260 VanDerWaalsContact C-N 3.27Å; F258-T260 PolarHBondContact O-N 3.5Å; F258-E261 PolarHBondContact O-N 3.33Å; F258-R262 VanDerWaalsContact O-CB 3.32Å; F258-R262 WeakPolarHBondContact O-CB 3.48Å; F258-R262 PolarHBondContact O-N 3.26Å
259E68.5Low68Low152 Ų15279.9 Ų79.971%0.7143%0.428SS*.Hα-helixtrans-62.8-36.9-176.8-72.5-14311500111.9N257 R262 L263N257-E259 PolarHBondContact O-N 2.87Å; N257-E259 VanDerWaalsContact O-N 3.16Å; E259-R262 PolarHBondContact O-N 2.81Å; E259-L263 WeakPolarHBondContact O-CB 3.36Å; E259-L263 WeakPolarHBondContact O-CD1 3.38Å; E259-L263 PolarHBondContact O-N 3.08Å
260T70.1Confident69.2Low67 Ų6780.4 Ų80.441%0.41143%0.431SS..Hα-helixtrans-67.3-43.9-178.5-43.60000111.5F206 N257 F258 L263 F264F206-T260 HydrophobicContact CE2-CG2 3.82Å; F206-T260 HydrophobicContact CZ-CG2 3.97Å; N257-T260 PolarHBondContact O-N 3.3Å; N257-T260 VanDerWaalsContact O-N 3.1Å; F258-T260 VanDerWaalsContact C-N 3.27Å; F258-T260 PolarHBondContact O-N 3.5Å; T260-L263 PolarHBondContact O-N 3.48Å; T260-F264 WeakPolarHBondContact O-CB 3.48Å; T260-F264 PolarHBondContact O-N 3.29Å
261E73.3Confident70.9Confident19 Ų1977.9 Ų77.99%0.08940%0.403CS..Hα-helixtrans-70.3-36.8176.9-171.2165.4-160.700111.7F206 S209 F258 F264 L265F206-E261 HydrophobicContact CE2-CB 4.1Å; F206-E261 HydrophobicContact CZ-CB 4.4Å; S209-E261 WeakPolarHBondContact CB-OE1 3.31Å; S209-E261 PolarHBondContact OG-OE1 3.22Å; F258-E261 PolarHBondContact O-N 3.33Å; E261-F264 WeakPolarHBondContact O-CB 3.44Å; E261-F264 PolarHBondContact O-N 3.02Å; E261-L265 PolarHBondContact O-N 3.29Å
262R78.6Confident72.7Confident143 Ų14371.4 Ų71.454%0.5437%0.369SS..Hα-helixtrans-67.8-36.1173.9-164.8177.5-173.8-165.84.3112.5L247 F258 E259 K266L247-R262 HydrophobicContact CD2-CG 4.01Å; F258-R262 VanDerWaalsContact O-CB 3.32Å; F258-R262 WeakPolarHBondContact O-CB 3.48Å; F258-R262 PolarHBondContact O-N 3.26Å; E259-R262 PolarHBondContact O-N 2.81Å; R262-K266 WeakPolarHBondContact O-CB 3.17Å; R262-K266 VanDerWaalsContact O-CG 3.28Å; R262-K266 WeakPolarHBondContact O-CG 3.23Å; R262-K266 PolarHBondContact O-N 2.83Å
263L79Confident74.6Confident110 Ų11073.3 Ų73.358%0.57638%0.377SS*.Hα-helixtrans-64.9-42.9170.6-106.376.5000111.2E259 T260 K266 A267E259-L263 WeakPolarHBondContact O-CB 3.36Å; E259-L263 WeakPolarHBondContact O-CD1 3.38Å; E259-L263 PolarHBondContact O-N 3.08Å; T260-L263 PolarHBondContact O-N 3.48Å; L263-K266 WeakPolarHBondContact O-CB 3.47Å; L263-K266 PolarHBondContact O-N 3.17Å; L263-A267 WeakPolarHBondContact O-CB 3.38Å; L263-A267 PolarHBondContact O-N 2.88Å
264F81.9Confident76.8Confident14 Ų1470.3 Ų70.36%0.06136%0.36CS..Hα-helixtrans-61.1-46.8178.5176.5-100.4000112C195 F206 V213 T260 E261 A267 A268C195-F264 HydrophobicContact CB-CE2 4.31Å; C195-F264 HydrophobicContact CB-CZ 4.45Å; C195-F264 VanDerWaalsContact SG-CE2 3.52Å; C195-F264 WeakPolarHBondContact SG-CZ 3.23Å; F206-F264 HydrophobicContact CE1-CG 4.47Å; F206-F264 HydrophobicContact CZ-CB 4.33Å; V213-F264 HydrophobicContact CB-CE1 3.83Å; V213-F264 HydrophobicContact CB-CZ 3.91Å; V213-F264 HydrophobicContact CG1-CE1 4.29Å; V213-F264 HydrophobicContact CG1-CZ 3.99Å; V213-F264 HydrophobicContact CG2-CD1 4.33Å; V213-F264 HydrophobicContact CG2-CE1 3.6Å; V213-F264 HydrophobicContact CG2-CZ 4.15Å; T260-F264 WeakPolarHBondContact O-CB 3.48Å; T260-F264 PolarHBondContact O-N 3.29Å; E261-F264 WeakPolarHBondContact O-CB 3.44Å; E261-F264 PolarHBondContact O-N 3.02Å; F264-A267 PolarHBondContact O-N 3.38Å; F264-A268 PolarHBondContact O-N 2.84Å
265L85.5Confident79Confident2 Ų264.6 Ų64.61%0.0132%0.323CS..Hα-helixtrans-62.7-40.9172.9-71.5173000112.1V213 L243 L247 E261 A267 A268 L269V213-L265 HydrophobicContact CG2-CD2 4.16Å; L243-L265 HydrophobicContact CD2-CD2 4.47Å; L243-L265 VanDerWaalsContact CD2-O 3.29Å; L243-L265 WeakPolarHBondContact CD2-O 3.21Å; L247-L265 HydrophobicContact CD1-CB 4.35Å; L247-L265 HydrophobicContact CD2-CB 3.83Å; L247-L265 HydrophobicContact CD2-CD1 4.23Å; L247-L265 HydrophobicContact CG-CB 4.08Å; L247-L265 HydrophobicContact CG-CD1 4.44Å; E261-L265 PolarHBondContact O-N 3.29Å; L265-A267 VanDerWaalsContact C-N 3.34Å; L265-A267 PolarHBondContact O-N 2.71Å; L265-A268 PolarHBondContact O-N 3.07Å; L265-L269 WeakPolarHBondContact O-CB 3.41Å; L265-L269 PolarHBondContact O-N 3.38Å
266K87Confident81.4Confident110 Ų11054.4 Ų54.448%0.47829%0.286SS..Hα-helixtrans-61.7-37.7173-78.3175.5176.3-177.30113R262 L263 L269 C270R262-K266 WeakPolarHBondContact O-CB 3.17Å; R262-K266 VanDerWaalsContact O-CG 3.28Å; R262-K266 WeakPolarHBondContact O-CG 3.23Å; R262-K266 PolarHBondContact O-N 2.83Å; L263-K266 WeakPolarHBondContact O-CB 3.47Å; L263-K266 PolarHBondContact O-N 3.17Å; K266-L269 PolarHBondContact O-N 3.36Å; K266-C270 WeakPolarHBondContact O-CB 3.47Å; K266-C270 PolarHBondContact O-N 3.31Å
267A87.5Confident83.4Confident33 Ų3356.1 Ų56.127%0.27330%0.297SS..Hα-helixtrans-67.2-41.9177.500000111.7L194 L263 F264 L265 C270 C271L194-A267 HydrophobicContact CD2-CB 4.3Å; L263-A267 WeakPolarHBondContact O-CB 3.38Å; L263-A267 PolarHBondContact O-N 2.88Å; F264-A267 PolarHBondContact O-N 3.38Å; L265-A267 VanDerWaalsContact C-N 3.34Å; L265-A267 PolarHBondContact O-N 2.71Å; A267-C270 PolarHBondContact O-N 2.76Å; A267-C271 PolarHBondContact O-N 2.78Å
268A89.7Confident85Confident0 Ų052.1 Ų52.10%028%0.279CS..Hα-helixtrans-62.9-43172.200000112V191 V213 M216 L243 F264 L265 C270 C271 L272V191-A268 HydrophobicContact CG1-CB 4.39Å; V213-A268 HydrophobicContact CB-CB 4.49Å; V213-A268 HydrophobicContact CG1-CB 3.79Å; V213-A268 HydrophobicContact CG2-CB 3.8Å; M216-A268 HydrophobicContact CE-CB 4.37Å; L243-A268 HydrophobicContact CD2-CB 3.77Å; F264-A268 PolarHBondContact O-N 2.84Å; L265-A268 PolarHBondContact O-N 3.07Å; A268-C270 PolarHBondContact O-N 3.37Å; A268-C271 WeakPolarHBondContact O-CB 3.4Å; A268-C271 PolarHBondContact O-N 3.42Å; A268-L272 PolarHBondContact O-N 3.09Å
269L91.1Very high86.3Confident24 Ų2448 Ų4813%0.12626%0.26CS..Hα-helixtrans-60.3-45.2174.8-175.470.1000111.9E240 L243 K244 L247 L265 K266 C271 L272 Q273E240-L269 HydrophobicContact CG-CD1 3.5Å; E240-L269 VanDerWaalsContact CG-CD1 3.5Å; L243-L269 HydrophobicContact CB-CD1 4.15Å; L243-L269 HydrophobicContact CD2-CB 3.96Å; K244-L269 HydrophobicContact CG-CD1 4.16Å; L247-L269 HydrophobicContact CD1-CD2 4.01Å; L265-L269 WeakPolarHBondContact O-CB 3.41Å; L265-L269 PolarHBondContact O-N 3.38Å; K266-L269 PolarHBondContact O-N 3.36Å; L269-C271 VanDerWaalsContact C-N 3.3Å; L269-C271 PolarHBondContact O-N 2.95Å; L269-L272 WeakPolarHBondContact O-CB 3.3Å; L269-L272 PolarHBondContact O-N 3.47Å; L269-Q273 WeakPolarHBondContact O-CG 3.48Å; L269-Q273 PolarHBondContact O-N 2.67Å
270C92.2Very high87.3Confident79 Ų7946.3 Ų46.353%0.53425%0.251SS..Hα-helixtrans-62.8-36.2177.5-169.30000112.2K266 A267 A268 Q273 A274K266-C270 WeakPolarHBondContact O-CB 3.47Å; K266-C270 PolarHBondContact O-N 3.31Å; A267-C270 PolarHBondContact O-N 2.76Å; A268-C270 PolarHBondContact O-N 3.37Å; C270-Q273 PolarHBondContact O-N 3.02Å; C270-A274 WeakPolarHBondContact O-CB 3.33Å; C270-A274 PolarHBondContact O-N 3.49Å
271C92.8Very high88.2Confident11 Ų1147.3 Ų47.37%0.07426%0.258CS..Hα-helixtrans-66.1-40.4173.5179.20000112.4Y187 V191 A267 A268 L269 A275Y187-C271 VanDerWaalsContact C-SG 3.51Å; V191-C271 HydrophobicContact CG2-CB 3.53Å; A267-C271 PolarHBondContact O-N 2.78Å; A268-C271 WeakPolarHBondContact O-CB 3.4Å; A268-C271 PolarHBondContact O-N 3.42Å; L269-C271 VanDerWaalsContact C-N 3.3Å; L269-C271 PolarHBondContact O-N 2.95Å; C271-A275 WeakPolarHBondContact O-CB 3.18Å; C271-A275 PolarHBondContact O-N 3.45Å
272L91.1Very high88.9Confident3 Ų349.4 Ų49.42%0.01627%0.27CS..Hα-helixtrans-62.6-46.4173.4-69.2176.6000111.1M216 F236 Q239 E240 L243 A268 L269 A274 A275 I276M216-L272 HydrophobicContact CE-CD2 4.14Å; M216-L272 HydrophobicContact CE-CG 4.29Å; M216-L272 HydrophobicContact CG-CD2 4.47Å; M216-L272 HydrophobicContact SD-CD1 3.64Å; M216-L272 HydrophobicContact SD-CD2 3.89Å; M216-L272 HydrophobicContact SD-CG 3.89Å; F236-L272 HydrophobicContact CB-CD2 4.16Å; F236-L272 HydrophobicContact CD1-CD2 3.55Å; F236-L272 HydrophobicContact CE1-CD2 4.39Å; F236-L272 HydrophobicContact CG-CD2 4.25Å; Q239-L272 HydrophobicContact CB-CD1 3.83Å; Q239-L272 HydrophobicContact CB-CD2 3.99Å; E240-L272 HydrophobicContact CB-CD1 4.18Å; L243-L272 HydrophobicContact CD1-CD1 4.29Å; A268-L272 PolarHBondContact O-N 3.09Å; L269-L272 WeakPolarHBondContact O-CB 3.3Å; L269-L272 PolarHBondContact O-N 3.47Å; L272-A274 PolarHBondContact O-N 2.72Å; L272-A275 PolarHBondContact O-N 2.99Å; L272-A275 VanDerWaalsContact O-N 3.15Å; L272-I276 VanDerWaalsContact O-CG1 3.26Å; L272-I276 WeakPolarHBondContact O-CG1 3.42Å; L272-I276 PolarHBondContact O-N 3.14Å
273Q92.7Very high89.3Confident82 Ų8243.5 Ų43.538%0.38325%0.249SC..Hα-helixtrans-63.3-39.7-179.8-72.5174.8-18.900112.2E240 L269 C270 I276 A277E240-Q273 HydrophobicContact CG-CG 4.34Å; E240-Q273 VanDerWaalsContact OE1-CG 3.31Å; E240-Q273 WeakPolarHBondContact OE1-CG 3.45Å; E240-Q273 PolarHBondContact OE1-NE2 2.67Å; L269-Q273 WeakPolarHBondContact O-CG 3.48Å; L269-Q273 PolarHBondContact O-N 2.67Å; C270-Q273 PolarHBondContact O-N 3.02Å; Q273-I276 PolarHBondContact O-N 3.45Å; Q273-A277 VanDerWaalsContact O-CB 3.32Å; Q273-A277 WeakPolarHBondContact O-CB 3.24Å; Q273-A277 PolarHBondContact O-N 3.05Å
274A92.1Very high89.6Confident31 Ų3143.1 Ų43.126%0.25625%0.248SC..Hα-helixtrans-62.2-43.1171.800000112.3Y187 C270 L272 A277 C278Y187-A274 HydrophobicContact CD2-CB 4.07Å; Y187-A274 HydrophobicContact CE2-CB 4.11Å; C270-A274 WeakPolarHBondContact O-CB 3.33Å; C270-A274 PolarHBondContact O-N 3.49Å; L272-A274 PolarHBondContact O-N 2.72Å; A274-A277 PolarHBondContact O-N 2.71Å; A274-C278 PolarHBondContact O-N 3.36Å; A274-C278 VanDerWaalsContact O-N 3.1Å; A274-C278 PolarHBondContact O-SG 2.96Å
275A92.6Very high89.6Confident1 Ų146.2 Ų46.21%0.00827%0.27CS..Hα-helixtrans-64.9-44.4176.400000112.3I184 F236 C271 L272 A277 C278 L279I184-A275 HydrophobicContact CG1-CB 4.39Å; I184-A275 HydrophobicContact CG2-CB 3.91Å; F236-A275 HydrophobicContact CD2-CB 3.89Å; F236-A275 HydrophobicContact CE2-CB 3.93Å; F236-A275 HydrophobicContact CG-CB 4.27Å; F236-A275 HydrophobicContact CZ-CB 4.32Å; C271-A275 WeakPolarHBondContact O-CB 3.18Å; C271-A275 PolarHBondContact O-N 3.45Å; L272-A275 PolarHBondContact O-N 2.99Å; L272-A275 VanDerWaalsContact O-N 3.15Å; A275-A277 PolarHBondContact O-N 3.46Å; A275-C278 PolarHBondContact O-N 2.91Å; A275-L279 VanDerWaalsContact O-CG 3.27Å; A275-L279 WeakPolarHBondContact O-CG 3.32Å; A275-L279 PolarHBondContact O-N 3.09Å; A275-L279 VanDerWaalsContact O-N 3.12Å
276I92.3Very high89.7Confident22 Ų2247.1 Ų47.111%0.11328%0.276CS..Hα-helixtrans-60.4-44.8175.4-67.4162.2000110.2F236 L237 E240 L272 Q273 C278 L279 K280F236-I276 HydrophobicContact CB-CD1 4.19Å; F236-I276 HydrophobicContact CB-CG1 3.71Å; L237-I276 HydrophobicContact CD2-CD1 4.16Å; L237-I276 HydrophobicContact CD2-CG2 4.25Å; L237-I276 HydrophobicContact CG-CD1 4.31Å; L237-I276 HydrophobicContact CG-CG1 4.42Å; E240-I276 HydrophobicContact CB-CD1 4.06Å; E240-I276 HydrophobicContact CG-CD1 4.39Å; L272-I276 VanDerWaalsContact O-CG1 3.26Å; L272-I276 WeakPolarHBondContact O-CG1 3.42Å; L272-I276 PolarHBondContact O-N 3.14Å; Q273-I276 PolarHBondContact O-N 3.45Å; I276-C278 VanDerWaalsContact C-N 3.32Å; I276-C278 PolarHBondContact O-N 3.33Å; I276-L279 PolarHBondContact O-N 2.92Å; I276-L279 VanDerWaalsContact O-N 3.09Å; I276-K280 WeakPolarHBondContact O-CB 3.29Å; I276-K280 PolarHBondContact O-N 2.83Å
277A91.8Very high89.8Confident68 Ų6850.2 Ų50.256%0.56229%0.29SS*.Hα-helixtrans-61.4-36.9177.900000113.1Q273 A274 A275 P281Q273-A277 VanDerWaalsContact O-CB 3.32Å; Q273-A277 WeakPolarHBondContact O-CB 3.24Å; Q273-A277 PolarHBondContact O-N 3.05Å; A274-A277 PolarHBondContact O-N 2.71Å; A275-A277 PolarHBondContact O-N 3.46Å; A277-P281 WeakPolarHBondContact O-CD 3.37Å
278C90.7Very high90Very high36 Ų3650.3 Ų50.324%0.24329%0.289CS..Hα-helixtrans-69.6-30.1173.2-70.30000113.7V180 I184 A274 A275 I276V180-C278 HydrophobicContact CG1-CB 4.5Å; I184-C278 HydrophobicContact CD1-CB 4.3Å; I184-C278 HydrophobicContact CG1-CB 4.24Å; A274-C278 PolarHBondContact O-N 3.36Å; A274-C278 VanDerWaalsContact O-N 3.1Å; A274-C278 PolarHBondContact O-SG 2.96Å; A275-C278 PolarHBondContact O-N 2.91Å; I276-C278 VanDerWaalsContact C-N 3.32Å; I276-C278 PolarHBondContact O-N 3.33Å
279L91.3Very high89.9Confident0 Ų050.6 Ų50.60%029%0.29CS..Hα-helixtrans-89.3-33.5-176.1-67.7169000113.5I184 L229 A232 F236 A275 I276 L282 V283I184-L279 HydrophobicContact CD1-CD1 4.04Å; I184-L279 HydrophobicContact CD1-CD2 3.61Å; I184-L279 HydrophobicContact CD1-CG 3.65Å; L229-L279 HydrophobicContact CB-CD2 3.79Å; L229-L279 HydrophobicContact CD1-CD2 4.06Å; L229-L279 HydrophobicContact CD2-CD2 3.83Å; L229-L279 HydrophobicContact CG-CD2 4.09Å; A232-L279 HydrophobicContact CB-CD1 4.32Å; F236-L279 HydrophobicContact CD2-CD1 3.57Å; F236-L279 HydrophobicContact CE2-CD1 3.81Å; A275-L279 VanDerWaalsContact O-CG 3.27Å; A275-L279 WeakPolarHBondContact O-CG 3.32Å; A275-L279 PolarHBondContact O-N 3.09Å; A275-L279 VanDerWaalsContact O-N 3.12Å; I276-L279 PolarHBondContact O-N 2.92Å; I276-L279 VanDerWaalsContact O-N 3.09Å; L279-L282 WeakPolarHBondContact O-CB 3.4Å; L279-L282 PolarHBondContact O-N 2.77Å; L279-V283 PolarHBondContact O-N 2.89Å
280K89.7Confident89.8Confident118 Ų11854.8 Ų54.851%0.51331%0.313SS..Hα-helixtrans-49.7-51.7-173.5-169.1167.1-173.4171.40114.4I276 L282 V283 D284I276-K280 WeakPolarHBondContact O-CB 3.29Å; I276-K280 PolarHBondContact O-N 2.83Å; K280-L282 PolarHBondContact O-N 3.4Å; K280-L282 VanDerWaalsContact O-N 3.16Å; K280-V283 PolarHBondContact O-N 2.74Å; K280-D284 WeakPolarHBondContact CE-OD2 3.42Å; K280-D284 WeakPolarHBondContact CG-OD2 3.31Å; K280-D284 WeakPolarHBondContact O-CB 3.28Å; K280-D284 PolarHBondContact O-N 3.4Å
281P88.7Confident89.7Confident88 Ų8854.9 Ų54.957%0.57131%0.305SS*.Hα-helixtrans-67.4-15.5-179.528.1-36.4000114.3A277 C285A277-P281 WeakPolarHBondContact O-CD 3.37Å; P281-C285 PolarHBondContact O-SG 3.15Å; P281-C285 VanDerWaalsContact O-SG 3.35Å
282L88.3Confident89.6Confident63 Ų6354.4 Ų54.433%0.3330%0.302SS..Hα-helixtrans-89.1-41.5174.8-60173000111.2V180 L229 L279 K280 L295V180-L282 HydrophobicContact CG1-CD1 4.27Å; V180-L282 HydrophobicContact CG2-CD1 4.3Å; L229-L282 HydrophobicContact CD1-CD1 3.66Å; L279-L282 WeakPolarHBondContact O-CB 3.4Å; L279-L282 PolarHBondContact O-N 2.77Å; K280-L282 PolarHBondContact O-N 3.4Å; K280-L282 VanDerWaalsContact O-N 3.16Å; L282-L295 HydrophobicContact CB-CD2 4.3Å; L282-L295 WeakPolarHBondContact O-CD1 3.37Å
283V87.8Confident89.5Confident18 Ų1856.5 Ų56.511%0.10931%0.312CS..Hα-helixtrans-84.4-36.6-172.1175.40000112.8L279 K280 C285 V286L279-V283 PolarHBondContact O-N 2.89Å; K280-V283 PolarHBondContact O-N 2.74Å; V283-C285 PolarHBondContact O-N 2.84Å; V283-C285 VanDerWaalsContact O-N 3.15Å; V283-V286 WeakPolarHBondContact O-CG2 3.39Å; V283-V286 PolarHBondContact O-N 3.13Å; V283-V286 VanDerWaalsContact O-N 3.15Å
284D85.2Confident89.3Confident102 Ų10255.6 Ų55.655%0.54532%0.315SS..THydrogen-bonded Turntrans-66.2-16178.4-70.510.7000112.5K280K280-D284 WeakPolarHBondContact CE-OD2 3.42Å; K280-D284 WeakPolarHBondContact CG-OD2 3.31Å; K280-D284 WeakPolarHBondContact O-CB 3.28Å; K280-D284 PolarHBondContact O-N 3.4Å
285C81.4Confident89.3Confident79 Ų7954.9 Ų54.953%0.53431%0.306SS..THydrogen-bonded Turntrans-82-10.6176.5-69.40000114.5P281 V283 K287 Q291P281-C285 PolarHBondContact O-SG 3.15Å; P281-C285 VanDerWaalsContact O-SG 3.35Å; V283-C285 PolarHBondContact O-N 2.84Å; V283-C285 VanDerWaalsContact O-N 3.15Å; C285-K287 PolarHBondContact O-N 2.93Å; C285-Q291 PolarHBondContact O-OE1 3.23Å
286V88.4Confident89.3Confident22 Ų2255 Ų5513%0.13331%0.307CS..  trans-74.4114.2-173.8-179.70000111.5V283 Q291 L292 L295 L348V283-V286 WeakPolarHBondContact O-CG2 3.39Å; V283-V286 PolarHBondContact O-N 3.13Å; V283-V286 VanDerWaalsContact O-N 3.15Å; V286-Q291 HydrophobicContact CG1-CB 4.4Å; V286-L292 HydrophobicContact CG1-CB 3.97Å; V286-L295 HydrophobicContact CG2-CD1 3.49Å; V286-L295 VanDerWaalsContact CG2-CD1 3.49Å; V286-L348 HydrophobicContact CG1-CD1 4.13Å
287K88Confident89.3Confident174 Ų17454.1 Ų54.176%0.75730%0.302SS*.  trans-128.8-11.5177.2-62.3-175.5-178.5-178.10114.1C285C285-K287 PolarHBondContact O-N 2.93Å
288S92Very high89.2Confident36 Ų3652 Ų5225%0.25228%0.283SS..SBendtrans-129.7165.2172.182.70000112.5D290 Q291 L292S288-D290 VanDerWaalsContact C-N 3.33Å; S288-D290 PolarHBondContact OG-N 3.45Å; S288-D290 PolarHBondContact OG-OD2 3.25Å; S288-D290 VanDerWaalsContact OG-OD2 3.1Å; S288-Q291 PolarHBondContact O-N 2.89Å; S288-Q291 PolarHBondContact OG-N 3.46Å; S288-L292 PolarHBondContact O-N 2.79Å
289V88.3Confident89.3Confident6 Ų650.8 Ų50.84%0.03627%0.273CS..Hα-helixtrans-65.7-33.9175.5178.50000111.7Q291 L292 E293 V345 L348 D349 Y353V289-Q291 VanDerWaalsContact C-N 3.31Å; V289-Q291 PolarHBondContact O-N 2.93Å; V289-L292 CarbonylContact O-C 3.53Å; V289-L292 WeakPolarHBondContact O-CB 3.49Å; V289-L292 PolarHBondContact O-N 2.97Å; V289-L292 VanDerWaalsContact O-N 3.12Å; V289-E293 HydrophobicContact CG1-CG 4.43Å; V289-E293 PolarHBondContact O-N 3.46Å; V289-V345 HydrophobicContact CG1-CG1 4.3Å; V289-V345 HydrophobicContact CG2-CG1 4.19Å; V289-L348 HydrophobicContact CG2-CB 3.84Å; V289-D349 HydrophobicContact CG2-CB 3.68Å; V289-Y353 HydrophobicContact CG1-CE2 4.25Å
290D88.5Confident89.3Confident111 Ų11150.8 Ų50.859%0.59427%0.273SS*.Hα-helixtrans-64.1-37.4177.2-36.6-84.1000112S288 E293 S294S288-D290 VanDerWaalsContact C-N 3.33Å; S288-D290 PolarHBondContact OG-N 3.45Å; S288-D290 PolarHBondContact OG-OD2 3.25Å; S288-D290 VanDerWaalsContact OG-OD2 3.1Å; D290-E293 PolarHBondContact O-N 3.24Å; D290-S294 PolarHBondContact O-N 3.23Å
291Q89.9Confident89.4Confident82 Ų8246.4 Ų46.438%0.38326%0.259SS..Hα-helixtrans-66.9-39.2173.9-68176.4-33.300111C285 V286 S288 V289 S294C285-Q291 PolarHBondContact O-OE1 3.23Å; V286-Q291 HydrophobicContact CG1-CB 4.4Å; S288-Q291 PolarHBondContact O-N 2.89Å; S288-Q291 PolarHBondContact OG-N 3.46Å; V289-Q291 VanDerWaalsContact C-N 3.31Å; V289-Q291 PolarHBondContact O-N 2.93Å; Q291-S294 PolarHBondContact O-N 3.25Å; Q291-S294 PolarHBondContact O-OG 2.85Å
292L91.1Very high89.7Confident0 Ų043.3 Ų43.30%024%0.237CC..Hα-helixtrans-65.8-41.7174.4-176.458.8000112W230 V286 S288 V289 S294 L295 V296 L341 V345 L348W230-L292 HydrophobicContact CB-CD1 3.74Å; W230-L292 VanDerWaalsContact CD1-CD1 3.46Å; W230-L292 HydrophobicContact CD2-CD1 3.76Å; W230-L292 HydrophobicContact CE3-CD1 4.48Å; W230-L292 HydrophobicContact CG-CD1 3.37Å; V286-L292 HydrophobicContact CG1-CB 3.97Å; S288-L292 PolarHBondContact O-N 2.79Å; V289-L292 CarbonylContact O-C 3.53Å; V289-L292 WeakPolarHBondContact O-CB 3.49Å; V289-L292 PolarHBondContact O-N 2.97Å; V289-L292 VanDerWaalsContact O-N 3.12Å; L292-S294 PolarHBondContact O-N 2.93Å; L292-L295 PolarHBondContact O-N 3.15Å; L292-V296 HydrophobicContact CD1-CG1 4.36Å; L292-V296 PolarHBondContact O-N 2.84Å; L292-L341 HydrophobicContact CD1-CD1 4.01Å; L292-L341 HydrophobicContact CD2-CD1 3.98Å; L292-L341 HydrophobicContact CG-CD1 4.23Å; L292-V345 HydrophobicContact CD2-CG2 3.66Å; L292-L348 HydrophobicContact CB-CD1 4.49Å; L292-L348 HydrophobicContact CD2-CD1 3.98Å
293E89.6Confident90Very high48 Ų4840.3 Ų40.322%0.22422%0.221CC..Hα-helixtrans-57.9-32.4174.6-81.8-174-175.300112.4V289 D290 L295 V296 L304 R308V289-E293 HydrophobicContact CG1-CG 4.43Å; V289-E293 PolarHBondContact O-N 3.46Å; D290-E293 PolarHBondContact O-N 3.24Å; E293-L295 VanDerWaalsContact C-N 3.29Å; E293-L295 PolarHBondContact O-N 3.1Å; E293-V296 WeakPolarHBondContact O-CG2 3.42Å; E293-L304 HydrophobicContact CG-CD1 4.01Å; E293-R308 IonicContact OE1-CZ 2.67Å; E293-R308 IonicContact OE1-NH1 3.44Å; E293-R308 IonicContact OE1-NH2 2.76Å; E293-R308 PolarHBondContact OE1-NH2 3.06Å
294S88.5Confident90.2Very high63 Ų6339.5 Ų39.544%0.44122%0.216SC..THydrogen-bonded Turntrans-70.9-18.6175.281.70000114.6W177 D290 Q291 L292W177-S294 PolarHBondContact NE1-O 3.13Å; W177-S294 VanDerWaalsContact NE1-O 3.11Å; D290-S294 PolarHBondContact O-N 3.23Å; Q291-S294 PolarHBondContact O-N 3.25Å; Q291-S294 PolarHBondContact O-OG 2.85Å; L292-S294 PolarHBondContact O-N 2.93Å
295L91.3Very high90.5Very high15 Ų1539 Ų398%0.07921%0.209CC..THydrogen-bonded Turntrans-109.6-2-175.2-64.4179000114.3G228 L229 L282 V286 L292 E293G228-L295 CarbonylContact C-O 3.53Å; L229-L295 HydrophobicContact CD1-CD2 4.47Å; L229-L295 PolarHBondContact N-O 3.11Å; L282-L295 HydrophobicContact CB-CD2 4.3Å; L282-L295 WeakPolarHBondContact O-CD1 3.37Å; V286-L295 HydrophobicContact CG2-CD1 3.49Å; V286-L295 VanDerWaalsContact CG2-CD1 3.49Å; L292-L295 PolarHBondContact O-N 3.15Å; E293-L295 VanDerWaalsContact C-N 3.29Å; E293-L295 PolarHBondContact O-N 3.1Å
296V92.1Very high90.9Very high5 Ų535.2 Ų35.23%0.0318%0.184CC..BIsolated β-bridgetrans-98.8165.8172.2-62.60000111.4I227 L292 E293 V300 A301 L341I227-V296 CarbonylContact O-C 3.6Å; I227-V296 WeakPolarHBondContact O-CA 3.21Å; I227-V296 VanDerWaalsContact O-CB 3.28Å; I227-V296 WeakPolarHBondContact O-CB 3.38Å; L292-V296 HydrophobicContact CD1-CG1 4.36Å; L292-V296 PolarHBondContact O-N 2.84Å; E293-V296 WeakPolarHBondContact O-CG2 3.42Å; V296-V300 HydrophobicContact CB-CB 3.98Å; V296-V300 HydrophobicContact CB-CG1 3.8Å; V296-V300 HydrophobicContact CG1-CG1 4.05Å; V296-V300 HydrophobicContact CG2-CB 4.04Å; V296-V300 HydrophobicContact CG2-CG1 3.85Å; V296-A301 HydrophobicContact CG2-CB 4.48Å; V296-L341 HydrophobicContact CG1-CD1 4.01Å; V296-L341 HydrophobicContact CG1-CD2 4.29Å
297V92.3Very high91Very high2 Ų234.2 Ų34.21%0.01218%0.178CC..  trans-72.2149174.7-61.60000111.3D172 W177 K226 I227 R299 V300 A301D172-V297 HydrophobicContact CB-CB 4.07Å; D172-V297 HydrophobicContact CB-CG1 4.21Å; W177-V297 HydrophobicContact CH2-CG1 3.82Å; W177-V297 HydrophobicContact CZ2-CG1 4.09Å; K226-V297 WeakPolarHBondContact O-CG2 3.47Å; I227-V297 PolarHBondContact O-N 3.22Å; V297-R299 VanDerWaalsContact C-N 3.29Å; V297-R299 PolarHBondContact O-N 3.49Å; V297-R299 VanDerWaalsContact O-N 3.11Å; V297-V300 HydrophobicContact CG2-CB 4.22Å; V297-V300 HydrophobicContact CG2-CG2 3.69Å; V297-V300 WeakPolarHBondContact O-CA 3.38Å; V297-V300 WeakPolarHBondContact O-CB 3.37Å; V297-V300 PolarHBondContact O-N 2.68Å; V297-A301 PolarHBondContact O-N 2.93Å
298P91.1Very high91.1Very high23 Ų2330 Ų3015%0.14916%0.157CC..Hα-helixtrans-42.9-42.1175.8-35.535.5000116.8K170 V300 A301 E302K170-P298 HydrophobicContact CB-CB 4.08Å; K170-P298 HydrophobicContact CB-CG 4.19Å; K170-P298 VanDerWaalsContact O-CB 3.23Å; K170-P298 WeakPolarHBondContact O-CB 3.43Å; P298-V300 PolarHBondContact O-N 3.44Å; P298-A301 PolarHBondContact O-N 3.35Å; P298-E302 PolarHBondContact O-N 2.93Å
299R91.2Very high90.7Very high11 Ų1131.3 Ų31.34%0.04216%0.159CC..Hα-helixtrans-61.3-29.8175.4-79.3-169.8-63.9130.214.9114.2C169 D172 K226 V297 L303 Y418 D419 I444 Q446C169-R299 WeakPolarHBondContact SG-CG 3.3Å; D172-R299 PolarHBondContact OD1-N 2.83Å; D172-R299 IonicContact OD1-NE 2.69Å; D172-R299 IonicContact OD2-CZ 2.79Å; D172-R299 VanDerWaalsContact OD2-CZ 3.26Å; D172-R299 IonicContact OD2-NE 3.47Å; D172-R299 PolarHBondContact OD2-NE 2.84Å; D172-R299 IonicContact OD2-NH2 3.92Å; D172-R299 PolarHBondContact OD2-NH2 3.02Å; K226-R299 VanDerWaalsContact CD-NH2 3.26Å; V297-R299 VanDerWaalsContact C-N 3.29Å; V297-R299 PolarHBondContact O-N 3.49Å; V297-R299 VanDerWaalsContact O-N 3.11Å; R299-L303 PolarHBondContact O-N 2.62Å; R299-Y418 HydrophobicContact CB-CE2 3.84Å; R299-Y418 VanDerWaalsContact NH1-CZ 3.33Å; R299-Y418 PolarHBondContact NH1-O 3.08Å; R299-Y418 PolarHBondContact NH1-OH 3.46Å; R299-Y418 PolarHBondContact NH2-OH 2.86Å; R299-D419 IonicContact NH1-OD1 2.66Å; R299-D419 PolarHBondContact NH1-OD1 3.16Å; R299-D419 VanDerWaalsContact NH1-OD1 3.15Å; R299-I444 HydrophobicContact CB-CG2 4.22Å; R299-I444 HydrophobicContact CG-CG2 4.02Å; R299-Q446 HydrophobicContact CG-CG 3.91Å
300V92.9Very high90.3Very high0 Ų032.5 Ų32.50%016%0.163CC..Hα-helixtrans-80-38.2178174.50000110.8I227 V296 V297 P298 E302 L303 L304 L338 L341 Y418I227-V300 HydrophobicContact CG2-CG2 4.48Å; V296-V300 HydrophobicContact CB-CB 3.98Å; V296-V300 HydrophobicContact CB-CG1 3.8Å; V296-V300 HydrophobicContact CG1-CG1 4.05Å; V296-V300 HydrophobicContact CG2-CB 4.04Å; V296-V300 HydrophobicContact CG2-CG1 3.85Å; V297-V300 HydrophobicContact CG2-CB 4.22Å; V297-V300 HydrophobicContact CG2-CG2 3.69Å; V297-V300 WeakPolarHBondContact O-CA 3.38Å; V297-V300 WeakPolarHBondContact O-CB 3.37Å; V297-V300 PolarHBondContact O-N 2.68Å; P298-V300 PolarHBondContact O-N 3.44Å; V300-E302 VanDerWaalsContact C-N 3.32Å; V300-E302 PolarHBondContact O-N 3.47Å; V300-L303 WeakPolarHBondContact O-CB 3.46Å; V300-L303 PolarHBondContact O-N 2.99Å; V300-L303 VanDerWaalsContact O-N 3.17Å; V300-L304 WeakPolarHBondContact O-CG 3.39Å; V300-L304 PolarHBondContact O-N 2.99Å; V300-L338 HydrophobicContact CG2-CD2 4.22Å; V300-L341 HydrophobicContact CG1-CD2 3.34Å; V300-Y418 HydrophobicContact CG2-CE2 3.84Å
301A92Very high89.5Confident26 Ų2629.5 Ų29.522%0.21515%0.147CC..Hα-helixtrans-60.2-42.7171.600000111.6V296 V297 P298 L303 L304 K305V296-A301 HydrophobicContact CG2-CB 4.48Å; V297-A301 PolarHBondContact O-N 2.93Å; P298-A301 PolarHBondContact O-N 3.35Å; A301-L303 VanDerWaalsContact C-N 3.32Å; A301-L303 PolarHBondContact O-N 3.25Å; A301-L304 PolarHBondContact O-N 2.99Å; A301-K305 WeakPolarHBondContact O-CB 3.26Å; A301-K305 PolarHBondContact O-N 3.41Å
302E93.4Very high87.7Confident24 Ų2428.6 Ų28.611%0.11215%0.154CC..Hα-helixtrans-66.8-31.1175.5-166.761.5-154.600112.5R167 C169 P298 V300 K305 C306 I444R167-E302 HydrophobicContact CB-CG 4.06Å; R167-E302 WeakPolarHBondContact CD-OE1 3.44Å; C169-E302 HydrophobicContact CB-CB 4Å; C169-E302 HydrophobicContact CB-CG 4.25Å; P298-E302 PolarHBondContact O-N 2.93Å; V300-E302 VanDerWaalsContact C-N 3.32Å; V300-E302 PolarHBondContact O-N 3.47Å; E302-K305 IonicContact OE1-NZ 2.68Å; E302-K305 PolarHBondContact OE1-NZ 3.38Å; E302-K305 IonicContact OE2-NZ 3.98Å; E302-K305 PolarHBondContact OE2-NZ 3.14Å; E302-C306 PolarHBondContact O-N 3.29Å; E302-C306 PolarHBondContact O-SG 3.43Å; E302-I444 HydrophobicContact CB-CG2 4.38Å; E302-I444 HydrophobicContact CG-CG2 4.47Å
303L94.1Very high85.8Confident0 Ų033.6 Ų33.60%018%0.181CC..Hα-helixtrans-64.7-47.2170.9176.166.1000112R299 V300 A301 K305 C306 L307 I327 L338 I416 Y418 I444R299-L303 PolarHBondContact O-N 2.62Å; V300-L303 WeakPolarHBondContact O-CB 3.46Å; V300-L303 PolarHBondContact O-N 2.99Å; V300-L303 VanDerWaalsContact O-N 3.17Å; A301-L303 VanDerWaalsContact C-N 3.32Å; A301-L303 PolarHBondContact O-N 3.25Å; L303-K305 VanDerWaalsContact C-N 3.26Å; L303-K305 PolarHBondContact O-N 3.24Å; L303-C306 PolarHBondContact O-N 3.49Å; L303-L307 HydrophobicContact CG-CD1 4.44Å; L303-L307 WeakPolarHBondContact O-CG 3.35Å; L303-L307 PolarHBondContact O-N 3.3Å; L303-I327 HydrophobicContact CD1-CD1 4.02Å; L303-I327 HydrophobicContact CD1-CG1 4.28Å; L303-I327 HydrophobicContact CD2-CD1 4.37Å; L303-L338 HydrophobicContact CD2-CD1 4.41Å; L303-L338 HydrophobicContact CD2-CD2 4.02Å; L303-I416 HydrophobicContact CD1-CB 4.48Å; L303-I416 HydrophobicContact CD1-CD1 3.83Å; L303-I416 HydrophobicContact CD1-CG2 3.88Å; L303-Y418 HydrophobicContact CD2-CD2 4.23Å; L303-I444 HydrophobicContact CB-CD1 3.72Å; L303-I444 HydrophobicContact CD1-CD1 3.99Å; L303-I444 HydrophobicContact CG-CD1 4.47Å
304L93.1Very high83.9Confident0 Ų035.2 Ų35.20%020%0.202CC..Hα-helixtrans-63.9-33.4178.1-65-177.3000112.1E293 V300 A301 R308 L342 V345 Y353E293-L304 HydrophobicContact CG-CD1 4.01Å; V300-L304 WeakPolarHBondContact O-CG 3.39Å; V300-L304 PolarHBondContact O-N 2.99Å; A301-L304 PolarHBondContact O-N 2.99Å; L304-R308 WeakPolarHBondContact O-CB 3.34Å; L304-R308 PolarHBondContact O-N 3.09Å; L304-L342 HydrophobicContact CD2-CD2 3.66Å; L304-V345 HydrophobicContact CD1-CG2 3.95Å; L304-V345 HydrophobicContact CD2-CG1 4.3Å; L304-V345 HydrophobicContact CD2-CG2 3.91Å; L304-Y353 PolarHBondContact O-OH 3.11Å
305K91Very high81.8Confident91 Ų9137.1 Ų37.140%0.39622%0.215SC..Hα-helixtrans-68-44.1171.3172.6164.6158.8-98.40112.6A301 E302 L303 L307 R308 E309A301-K305 WeakPolarHBondContact O-CB 3.26Å; A301-K305 PolarHBondContact O-N 3.41Å; E302-K305 IonicContact OE1-NZ 2.68Å; E302-K305 PolarHBondContact OE1-NZ 3.38Å; E302-K305 IonicContact OE2-NZ 3.98Å; E302-K305 PolarHBondContact OE2-NZ 3.14Å; L303-K305 VanDerWaalsContact C-N 3.26Å; L303-K305 PolarHBondContact O-N 3.24Å; K305-L307 VanDerWaalsContact C-N 3.3Å; K305-L307 PolarHBondContact O-N 3.16Å; K305-R308 WeakPolarHBondContact O-CB 3.39Å; K305-R308 PolarHBondContact O-N 2.82Å; K305-R308 VanDerWaalsContact O-N 3.14Å; K305-E309 PolarHBondContact O-N 3.37Å
306C90.5Very high79.4Confident1 Ų141.3 Ų41.31%0.00724%0.241CC..Hα-helixtrans-60.3-38.9173.8-68.70000112.2E302 L303 Y310 I416E302-C306 PolarHBondContact O-N 3.29Å; E302-C306 PolarHBondContact O-SG 3.43Å; L303-C306 PolarHBondContact O-N 3.49Å; C306-Y310 WeakPolarHBondContact O-CD2 3.32Å; C306-I416 HydrophobicContact CB-CD1 4.43Å
307L90.8Very high77Confident0 Ų044.5 Ų44.50%028%0.275CS..Hα-helixtrans-69.8-34.2175.1-67.7170.7000112.3L303 K305 E309 Y310 F323 L342 Y353 L356 L396 I416L303-L307 HydrophobicContact CG-CD1 4.44Å; L303-L307 WeakPolarHBondContact O-CG 3.35Å; L303-L307 PolarHBondContact O-N 3.3Å; K305-L307 VanDerWaalsContact C-N 3.3Å; K305-L307 PolarHBondContact O-N 3.16Å; L307-E309 VanDerWaalsContact C-N 3.32Å; L307-E309 PolarHBondContact O-N 2.97Å; L307-Y310 PolarHBondContact O-N 3.41Å; L307-F323 HydrophobicContact CD2-CZ 4.05Å; L307-L342 HydrophobicContact CD1-CD2 3.56Å; L307-Y353 HydrophobicContact CB-CE1 4.17Å; L307-L356 HydrophobicContact CB-CD1 4.45Å; L307-L356 HydrophobicContact CD1-CD1 4.16Å; L307-L396 HydrophobicContact CD1-CD2 4.14Å; L307-L396 HydrophobicContact CD2-CD1 4.47Å; L307-L396 HydrophobicContact CD2-CD2 4.05Å; L307-I416 HydrophobicContact CD2-CD1 4.2Å
308R88.7Confident74.6Confident86 Ų8650.8 Ų50.833%0.32531%0.309SS..Hα-helixtrans-61.9-36.3176.3-166.8174.9-61.6154.411.9112.7E293 L304 K305 Y310 N311 T352 Y353E293-R308 IonicContact OE1-CZ 2.67Å; E293-R308 IonicContact OE1-NH1 3.44Å; E293-R308 IonicContact OE1-NH2 2.76Å; E293-R308 PolarHBondContact OE1-NH2 3.06Å; L304-R308 WeakPolarHBondContact O-CB 3.34Å; L304-R308 PolarHBondContact O-N 3.09Å; K305-R308 WeakPolarHBondContact O-CB 3.39Å; K305-R308 PolarHBondContact O-N 2.82Å; K305-R308 VanDerWaalsContact O-N 3.14Å; R308-Y310 PolarHBondContact O-N 2.98Å; R308-N311 PolarHBondContact O-N 3.28Å; R308-T352 HydrophobicContact CG-CG2 3.77Å; R308-Y353 HydrophobicContact CB-CE1 4.46Å; R308-Y353 PolarHBondContact NE-OH 3.5Å; R308-Y353 PolarHBondContact NH2-OH 2.75Å
309E84.7Confident72.5Confident64 Ų6458.7 Ų58.730%0.29934%0.341SS..Hα-helixtrans-57.8-30.2178.2-70.7174.8-161.700112.7R167 K305 L307R167-E309 IonicContact CZ-OE1 3.5Å; R167-E309 IonicContact CZ-OE2 3.65Å; R167-E309 IonicContact NE-OE1 3.21Å; R167-E309 IonicContact NH2-OE1 2.68Å; R167-E309 PolarHBondContact NH2-OE1 3.35Å; R167-E309 IonicContact NH2-OE2 2.84Å; R167-E309 PolarHBondContact NH2-OE2 3.43Å; K305-E309 PolarHBondContact O-N 3.37Å; L307-E309 VanDerWaalsContact C-N 3.32Å; L307-E309 PolarHBondContact O-N 2.97Å
310Y79.4Confident70.7Confident31 Ų3165.2 Ų65.212%0.12238%0.377CS..Hα-helixtrans-78.1-24-177.8-81.3-93000114.7C306 L307 R308 F323 V414 Q440C306-Y310 WeakPolarHBondContact O-CD2 3.32Å; L307-Y310 PolarHBondContact O-N 3.41Å; R308-Y310 PolarHBondContact O-N 2.98Å; Y310-F323 AromaticContact CD1-CD2 3.76Å; Y310-F323 HydrophobicContact CD1-CD2 3.76Å; Y310-F323 AromaticContact CD1-CE2 3.92Å; Y310-F323 HydrophobicContact CD1-CE2 3.92Å; Y310-F323 HydrophobicContact CD2-CE2 4.17Å; Y310-F323 HydrophobicContact CE1-CD2 4.49Å; Y310-F323 HydrophobicContact CE1-CE2 4.49Å; Y310-F323 AromaticContact CG-CD2 3.89Å; Y310-F323 HydrophobicContact CG-CD2 3.89Å; Y310-F323 AromaticContact CG-CE2 3.73Å; Y310-F323 HydrophobicContact CG-CE2 3.73Å; Y310-V414 HydrophobicContact CE1-CB 4.37Å; Y310-V414 HydrophobicContact CE2-CB 4.18Å; Y310-V414 HydrophobicContact CE2-CG2 3.92Å; Y310-V414 WeakPolarHBondContact OH-CB 3.39Å; Y310-V414 WeakPolarHBondContact OH-CG2 3.46Å; Y310-Q440 VanDerWaalsContact OH-CD 3.27Å
311N70.8Confident69.1Low47 Ų4768.2 Ų68.225%0.25140%0.402SS..Hα-helixtrans-74.1-35.2175.2-167.11.4000111.5R308 N313 A314 R351 T352 F355R308-N311 PolarHBondContact O-N 3.28Å; N311-N313 VanDerWaalsContact C-N 3.26Å; N311-N313 PolarHBondContact O-N 3.05Å; N311-A314 WeakPolarHBondContact O-CB 3.48Å; N311-A314 PolarHBondContact O-N 3.28Å; N311-A314 VanDerWaalsContact O-N 3.09Å; N311-R351 PolarHBondContact ND2-O 2.97Å; N311-R351 VanDerWaalsContact ND2-O 3.11Å; N311-T352 VanDerWaalsContact ND2-C 3.31Å; N311-T352 WeakPolarHBondContact ND2-CA 3.34Å; N311-T352 PolarHBondContact ND2-O 3.4Å; N311-F355 HydrophobicContact CB-CD1 4.18Å; N311-F355 HydrophobicContact CB-CE1 3.76Å; N311-F355 HydrophobicContact CB-CZ 4.43Å
312A54.1Low68.3Low64 Ų6471 Ų7153%0.52942%0.417SS..Hα-helixtrans-55.9-41.8178.400000112.3A314 S315A312-A314 VanDerWaalsContact C-N 3.31Å; A312-A314 PolarHBondContact O-N 3.5Å; A312-S315 WeakPolarHBondContact O-CB 3.2Å; A312-S315 PolarHBondContact O-N 3.4Å
313N50.9Low68Low105 Ų10571 Ų7156%0.56142%0.417SS*.Hα-helixtrans-71.8-20.5-179.1-65.3-3.6000113.7N311 S315 T316N311-N313 VanDerWaalsContact C-N 3.26Å; N311-N313 PolarHBondContact O-N 3.05Å; N313-S315 PolarHBondContact O-N 2.91Å; N313-T316 PolarHBondContact O-N 3.47Å; N313-T316 VanDerWaalsContact O-N 3.13Å; N313-T316 PolarHBondContact O-OG1 3.45Å
314A49.7Very low67.7Low81 Ų8171.8 Ų71.867%0.66942%0.422SS*.THydrogen-bonded Turntrans-67-13.5174.200000112.8N311 A312N311-A314 WeakPolarHBondContact O-CB 3.48Å; N311-A314 PolarHBondContact O-N 3.28Å; N311-A314 VanDerWaalsContact O-N 3.09Å; A312-A314 VanDerWaalsContact C-N 3.31Å; A312-A314 PolarHBondContact O-N 3.5Å
315S44.3Very low67.6Low103 Ų10371.8 Ų71.872%0.7242%0.422SS*.THydrogen-bonded Turntrans-82.3-14.6174.6-56.80000113.6A312 N313A312-S315 WeakPolarHBondContact O-CB 3.2Å; A312-S315 PolarHBondContact O-N 3.4Å; N313-S315 PolarHBondContact O-N 2.91Å
316T40.7Very low67.7Low103 Ų10367.4 Ų67.463%0.63240%0.403SS*.SBendtrans-107.356-169.347.90000113.8N313 D318N313-T316 PolarHBondContact O-N 3.47Å; N313-T316 VanDerWaalsContact O-N 3.13Å; N313-T316 PolarHBondContact O-OG1 3.45Å; T316-D318 PolarHBondContact O-N 2.9Å
317G41.2Very low67.9Low72 Ų7267.4 Ų67.474%0.74240%0.403SS*.SBendtrans72.6-31.915600000119K319G317-K319 PolarHBondContact O-N 2.99Å
318D42.6Very low68Low134 Ų13467.4 Ų67.472%0.71740%0.403SS*.  trans-81.7104.9-173.2-159.8-12.1000111.1T316T316-D318 PolarHBondContact O-N 2.9Å
319K46.9Very low68.2Low190 Ų19063.4 Ų63.483%0.82639%0.388SS*.  trans-89.9-5.9-171.4-75.2-173.9175-178.20114.1G317 A321G317-K319 PolarHBondContact O-N 2.99Å; K319-A321 VanDerWaalsContact C-N 3.35Å; K319-A321 PolarHBondContact O-N 3.02Å
320D52.8Low68.3Low148 Ų14864.5 Ų64.579%0.79140%0.399SS*.SBendtrans-84.1-3.1-154.4-72.67.9000115
321A60.3Low68.5Low63 Ų6366.6 Ų66.652%0.52141%0.41SS..  trans-143.1107176.700000113.4K319 M436K319-A321 VanDerWaalsContact C-N 3.35Å; K319-A321 PolarHBondContact O-N 3.02Å; A321-M436 HydrophobicContact CB-SD 4.24Å
322P74.3Confident69Low83 Ų8369 Ų6954%0.53942%0.416SS..  trans-68.5147.7170.729.2-34.2000111.4
323F86.6Confident70.4Confident26 Ų2668 Ų6811%0.11440%0.399CS..  trans-55.8136.5179179.7-88.1000112.2L307 Y310 F355 L356 N395 L396 V414L307-F323 HydrophobicContact CD2-CZ 4.05Å; Y310-F323 AromaticContact CD1-CD2 3.76Å; Y310-F323 HydrophobicContact CD1-CD2 3.76Å; Y310-F323 AromaticContact CD1-CE2 3.92Å; Y310-F323 HydrophobicContact CD1-CE2 3.92Å; Y310-F323 HydrophobicContact CD2-CE2 4.17Å; Y310-F323 HydrophobicContact CE1-CD2 4.49Å; Y310-F323 HydrophobicContact CE1-CE2 4.49Å; Y310-F323 AromaticContact CG-CD2 3.89Å; Y310-F323 HydrophobicContact CG-CD2 3.89Å; Y310-F323 AromaticContact CG-CE2 3.73Å; Y310-F323 HydrophobicContact CG-CE2 3.73Å; F323-F355 HydrophobicContact CB-CD2 4.18Å; F323-F355 HydrophobicContact CB-CE2 4.31Å; F323-F355 HydrophobicContact CD1-CD2 4.3Å; F323-F355 HydrophobicContact CD1-CE2 4.06Å; F323-F355 AromaticContact CD2-CE2 3.88Å; F323-F355 HydrophobicContact CD2-CE2 3.88Å; F323-F355 HydrophobicContact CE1-CE2 4.36Å; F323-F355 HydrophobicContact CE2-CE2 4.18Å; F323-F355 HydrophobicContact CG-CD2 4.12Å; F323-F355 AromaticContact CG-CE2 3.82Å; F323-F355 HydrophobicContact CG-CE2 3.82Å; F323-F355 HydrophobicContact CZ-CE2 4.41Å; F323-L356 HydrophobicContact CD1-CD2 4.06Å; F323-L356 HydrophobicContact CE1-CD2 3.56Å; F323-L356 HydrophobicContact CZ-CD2 3.99Å; F323-N395 WeakPolarHBondContact O-CB 3.47Å; F323-L396 HydrophobicContact CE1-CB 4.31Å; F323-L396 HydrophobicContact CE1-CD1 4.21Å; F323-L396 HydrophobicContact CZ-CD1 4.32Å; F323-V414 HydrophobicContact CE2-CG1 3.68Å; F323-V414 HydrophobicContact CZ-CG1 3.71Å
324C89.2Confident72.1Confident15 Ų1563 Ų6310%0.10137%0.372CS..  trans-153.9105.6-179.8-179.30000109.3N395 C412 N413 V414 M436C324-N395 WeakPolarHBondContact CA-O 3.48Å; C324-C412 CarbonylContact O-C 3.58Å; C324-C412 VanDerWaalsContact O-CA 3.22Å; C324-C412 WeakPolarHBondContact O-CA 3.29Å; C324-C412 VanDerWaalsContact O-CB 3.26Å; C324-C412 WeakPolarHBondContact O-CB 3.27Å; C324-N413 PolarHBondContact N-OD1 2.76Å; C324-N413 PolarHBondContact O-N 3.02Å; C324-N413 PolarHBondContact O-OD1 3.24Å; C324-V414 PolarHBondContact O-N 2.87Å; C324-M436 HydrophobicContact CB-CE 4.2Å
325G90.9Very high74Confident0 Ų059.2 Ų59.20%034%0.34CS..EExtended strand (participates in β ladder)trans-130.7151.2-168.500000116.1N395 L396 L397 V414G325-N395 PolarHBondContact N-O 2.93Å; G325-L396 WeakPolarHBondContact O-CA 3.06Å; G325-L397 PolarHBondContact O-N 3.08Å; G325-V414 VanDerWaalsContact CA-O 3.27Å; G325-V414 WeakPolarHBondContact CA-O 3.44Å
326I93.3Very high76Confident0 Ų057.4 Ų57.40%032%0.318CS..EExtended strand (participates in β ladder)trans-124.6132.9170.7-63.1169.9000110.3F328 F389 L397 A399 L403 V409 C412 V414 V415 I416 R433I326-F328 HydrophobicContact CB-CE2 4.44Å; I326-F328 HydrophobicContact CG2-CD2 3.87Å; I326-F328 HydrophobicContact CG2-CE1 4.31Å; I326-F328 HydrophobicContact CG2-CE2 3.62Å; I326-F328 HydrophobicContact CG2-CG 4.32Å; I326-F328 HydrophobicContact CG2-CZ 3.86Å; I326-F389 HydrophobicContact CD1-CE1 4.49Å; I326-F389 HydrophobicContact CG1-CE1 4.46Å; I326-F389 HydrophobicContact CG1-CZ 4.11Å; I326-L397 CarbonylContact C-O 3.32Å; I326-L397 WeakPolarHBondContact CA-O 3.42Å; I326-L397 HydrophobicContact CG1-CB 4.31Å; I326-A399 HydrophobicContact CG2-CB 4.06Å; I326-L403 HydrophobicContact CD1-CD1 4.02Å; I326-L403 HydrophobicContact CG1-CD1 4.45Å; I326-L403 HydrophobicContact CG2-CD1 4.27Å; I326-V409 HydrophobicContact CD1-CG2 4.45Å; I326-C412 VanDerWaalsContact CD1-SG 3.6Å; I326-V414 PolarHBondContact N-O 3.34Å; I326-V414 VanDerWaalsContact N-O 3.11Å; I326-V415 CarbonylContact O-C 3.59Å; I326-V415 WeakPolarHBondContact O-CA 3.42Å; I326-I416 PolarHBondContact O-N 3.27Å; I326-R433 HydrophobicContact CD1-CB 4.34Å
327I94.5Very high78.3Confident0 Ų052.8 Ų52.80%029%0.289CS..EExtended strand (participates in β ladder)trans-109.3115172.4-61.8163.3000108.6L303 V329 L342 L396 L397 V398 A399 I416L303-I327 HydrophobicContact CD1-CD1 4.02Å; L303-I327 HydrophobicContact CD1-CG1 4.28Å; L303-I327 HydrophobicContact CD2-CD1 4.37Å; I327-V329 HydrophobicContact CG2-CG1 4.49Å; I327-L342 HydrophobicContact CD1-CD1 3.99Å; I327-L396 HydrophobicContact CD1-CD1 3.81Å; I327-L396 HydrophobicContact CD1-CD2 3.91Å; I327-L396 HydrophobicContact CD1-CG 4.08Å; I327-L396 HydrophobicContact CG1-CD1 3.96Å; I327-L397 PolarHBondContact N-O 3.49Å; I327-V398 HydrophobicContact CB-CG1 4.35Å; I327-V398 HydrophobicContact CD1-CG2 4.37Å; I327-V398 HydrophobicContact CG2-CG1 4.34Å; I327-V398 CarbonylContact O-C 3.48Å; I327-V398 WeakPolarHBondContact O-CA 3.24Å; I327-A399 PolarHBondContact O-N 3.23Å; I327-I416 CarbonylContact C-O 3.6Å; I327-I416 WeakPolarHBondContact CA-O 3.25Å; I327-I416 HydrophobicContact CG1-CB 4.22Å; I327-I416 HydrophobicContact CG1-CD1 4.36Å
328F93.1Very high80.7Confident0 Ų049.4 Ų49.40%025%0.254CS..EExtended strand (participates in β ladder)trans-93.4128.6179.3-78.9-74.4000112.7I326 A399 L403 E404 V415 I416 Y418I326-F328 HydrophobicContact CB-CE2 4.44Å; I326-F328 HydrophobicContact CG2-CD2 3.87Å; I326-F328 HydrophobicContact CG2-CE1 4.31Å; I326-F328 HydrophobicContact CG2-CE2 3.62Å; I326-F328 HydrophobicContact CG2-CG 4.32Å; I326-F328 HydrophobicContact CG2-CZ 3.86Å; F328-A399 WeakPolarHBondContact CA-O 3.45Å; F328-A399 HydrophobicContact CD1-CB 4.22Å; F328-A399 HydrophobicContact CE1-CB 4.22Å; F328-L403 HydrophobicContact CE1-CB 3.77Å; F328-L403 HydrophobicContact CZ-CB 3.85Å; F328-E404 HydrophobicContact CD1-CG 3.96Å; F328-E404 HydrophobicContact CE1-CG 3.46Å; F328-E404 VanDerWaalsContact CE1-CG 3.46Å; F328-E404 HydrophobicContact CZ-CG 3.89Å; F328-V415 HydrophobicContact CD2-CG1 3.67Å; F328-V415 HydrophobicContact CE2-CG1 3.77Å; F328-I416 PolarHBondContact N-O 3.46Å; F328-Y418 PolarHBondContact O-N 3.24Å
329V91.5Very high83.1Confident2 Ų245 Ų451%0.01223%0.228CC..  trans-127.4159.3175.2-56.60000111.2I327 V334 A335 L338 V398 A399 T400 Y418I327-V329 HydrophobicContact CG2-CG1 4.49Å; V329-V334 HydrophobicContact CB-CG1 4.37Å; V329-V334 HydrophobicContact CG1-CG1 4.1Å; V329-A335 HydrophobicContact CG2-CB 3.67Å; V329-L338 HydrophobicContact CG1-CD1 3.8Å; V329-V398 HydrophobicContact CG1-CG1 4.36Å; V329-A399 PolarHBondContact N-O 2.97Å; V329-T400 HydrophobicContact CG2-CG2 4.13Å; V329-T400 WeakPolarHBondContact O-CA 3.39Å; V329-Y418 HydrophobicContact CG1-CD1 3.8Å; V329-Y418 HydrophobicContact CG1-CG 4.16Å
330T86.9Confident85.1Confident87 Ų8737 Ų3753%0.53420%0.196SC..SBendtrans-85.2-33.8174.6480000113.5D419T330-D419 HydrophobicContact CG2-CB 3.95Å; T330-D419 PolarHBondContact N-OD2 3.46Å; T330-D419 PolarHBondContact OG1-OD2 2.95Å
331Q83.8Confident87Confident76 Ų7630 Ų3036%0.35516%0.158SC..  trans-103.9127.2-173-65.2-17210.100112.5T222 Y333 V334 A335T222-Q331 PolarHBondContact OG1-OE1 3.3Å; Q331-Y333 VanDerWaalsContact C-N 3.28Å; Q331-Y333 PolarHBondContact O-N 2.74Å; Q331-V334 HydrophobicContact CB-CB 4.2Å; Q331-V334 HydrophobicContact CB-CG2 3.8Å; Q331-V334 WeakPolarHBondContact O-CA 3.45Å; Q331-V334 WeakPolarHBondContact O-CB 3.23Å; Q331-V334 PolarHBondContact O-N 2.86Å; Q331-A335 PolarHBondContact O-N 3.48Å; Q331-A335 VanDerWaalsContact O-N 3.13Å
332R82Confident88.7Confident96 Ų9627 Ų2736%0.36213%0.134SC..Hα-helixtrans-55.4-40.9179.8-55.4175-163.4179.9-0.5113.2V334 A335 Y336 V362 G363 Q364 S365 T400R332-V334 VanDerWaalsContact C-N 3.3Å; R332-V334 PolarHBondContact O-N 3.29Å; R332-A335 WeakPolarHBondContact O-CB 3.45Å; R332-A335 PolarHBondContact O-N 3.14Å; R332-Y336 PolarHBondContact O-N 3.27Å; R332-V362 HydrophobicContact CB-CB 3.91Å; R332-V362 HydrophobicContact CB-CG1 3.76Å; R332-V362 HydrophobicContact CG-CB 3.93Å; R332-V362 HydrophobicContact CG-CG1 4.19Å; R332-G363 WeakPolarHBondContact CD-O 3.47Å; R332-G363 PolarHBondContact NE-O 2.9Å; R332-G363 PolarHBondContact NH1-O 3.13Å; R332-Q364 VanDerWaalsContact NH2-C 3.27Å; R332-Q364 PolarHBondContact NH2-O 2.95Å; R332-S365 PolarHBondContact NH1-OG 3.41Å; R332-T400 HydrophobicContact CG-CG2 4.05Å
333Y82Confident89.5Confident45 Ų4527 Ų2718%0.17613%0.127CC..Hα-helixtrans-66.5-33.6178.6-160.9-108.5000112.3K219 T222 T235 Q331 Q337K219-Y333 HydrophobicContact CB-CD1 4.22Å; K219-Y333 HydrophobicContact CB-CE1 3.86Å; K219-Y333 HydrophobicContact CB-CE2 4.32Å; K219-Y333 HydrophobicContact CD-CE2 4.23Å; K219-Y333 HydrophobicContact CG-CD1 4.35Å; K219-Y333 HydrophobicContact CG-CD2 4.06Å; K219-Y333 HydrophobicContact CG-CE1 4.3Å; K219-Y333 HydrophobicContact CG-CE2 4.01Å; K219-Y333 HydrophobicContact CG-CG 4.25Å; T222-Y333 HydrophobicContact CG2-CD1 4.26Å; T235-Y333 HydrophobicContact CG2-CE1 4.12Å; T235-Y333 VanDerWaalsContact CG2-OH 3.3Å; T235-Y333 WeakPolarHBondContact CG2-OH 3.24Å; T235-Y333 PolarHBondContact OG1-OH 3.37Å; Q331-Y333 VanDerWaalsContact C-N 3.28Å; Q331-Y333 PolarHBondContact O-N 2.74Å; Y333-Q337 HydrophobicContact CD1-CG 4.01Å; Y333-Q337 HydrophobicContact CE1-CG 3.7Å; Y333-Q337 VanDerWaalsContact O-CB 3.31Å; Y333-Q337 WeakPolarHBondContact O-CB 3.29Å; Y333-Q337 VanDerWaalsContact O-CG 3.24Å; Y333-Q337 WeakPolarHBondContact O-CG 3.41Å; Y333-Q337 PolarHBondContact O-N 3.34Å; Y333-Q337 PolarHBondContact OH-NE2 2.82Å
334V88.4Confident89.8Confident0 Ų026.7 Ų26.70%013%0.125CC..Hα-helixtrans-68.5-36.1173.8178.40000110.8T222 K226 I227 V329 Q331 R332 Q337 L338 Y418T222-V334 HydrophobicContact CG2-CG2 3.47Å; T222-V334 VanDerWaalsContact CG2-CG2 3.47Å; K226-V334 HydrophobicContact CB-CG2 3.88Å; K226-V334 HydrophobicContact CG-CG2 4.14Å; I227-V334 HydrophobicContact CD1-CG1 4.13Å; I227-V334 HydrophobicContact CG1-CG1 4.33Å; V329-V334 HydrophobicContact CB-CG1 4.37Å; V329-V334 HydrophobicContact CG1-CG1 4.1Å; Q331-V334 HydrophobicContact CB-CB 4.2Å; Q331-V334 HydrophobicContact CB-CG2 3.8Å; Q331-V334 WeakPolarHBondContact O-CA 3.45Å; Q331-V334 WeakPolarHBondContact O-CB 3.23Å; Q331-V334 PolarHBondContact O-N 2.86Å; R332-V334 VanDerWaalsContact C-N 3.3Å; R332-V334 PolarHBondContact O-N 3.29Å; V334-Q337 PolarHBondContact O-N 3.19Å; V334-L338 HydrophobicContact CG1-CD1 3.99Å; V334-L338 HydrophobicContact CG1-CG 4.25Å; V334-L338 WeakPolarHBondContact O-CB 3.31Å; V334-L338 WeakPolarHBondContact O-CG 3.41Å; V334-L338 PolarHBondContact O-N 2.84Å; V334-Y418 HydrophobicContact CG1-CD1 4.49Å; V334-Y418 HydrophobicContact CG1-CE1 4.18Å
335A88.3Confident90Very high0 Ų026 Ų260%012%0.121CC..Hα-helixtrans-61-51.5176.100000111.9V329 Q331 R332 Q337 L338 K339 V362 V398V329-A335 HydrophobicContact CG2-CB 3.67Å; Q331-A335 PolarHBondContact O-N 3.48Å; Q331-A335 VanDerWaalsContact O-N 3.13Å; R332-A335 WeakPolarHBondContact O-CB 3.45Å; R332-A335 PolarHBondContact O-N 3.14Å; A335-Q337 PolarHBondContact O-N 3Å; A335-L338 PolarHBondContact O-N 3.32Å; A335-K339 PolarHBondContact O-N 2.94Å; A335-V362 HydrophobicContact CB-CG1 3.77Å; A335-V398 HydrophobicContact CB-CG1 4.03Å
336Y87.2Confident90.1Very high65 Ų6527.6 Ų27.626%0.25513%0.13SC..Hα-helixtrans-59.9-46.1176171.7-107000112.3R238 R332 K339 V340 F360R238-Y336 PolarHBondContact NH1-OH 3.3Å; R238-Y336 VanDerWaalsContact NH1-OH 3.11Å; R332-Y336 PolarHBondContact O-N 3.27Å; Y336-K339 WeakPolarHBondContact O-CB 3.49Å; Y336-K339 PolarHBondContact O-N 2.86Å; Y336-V340 HydrophobicContact CD2-CG2 4.39Å; Y336-V340 HydrophobicContact CE1-CG2 4.2Å; Y336-V340 HydrophobicContact CE2-CG2 3.88Å; Y336-V340 WeakPolarHBondContact O-CG2 3.47Å; Y336-V340 PolarHBondContact O-N 2.98Å; Y336-F360 HydrophobicContact CD2-CD1 4.46Å; Y336-F360 AromaticContact CD2-CE1 3.92Å; Y336-F360 HydrophobicContact CD2-CE1 3.92Å; Y336-F360 HydrophobicContact CD2-CE2 4.16Å; Y336-F360 AromaticContact CD2-CZ 3.76Å; Y336-F360 HydrophobicContact CD2-CZ 3.76Å
337Q87.6Confident90.1Very high7 Ų735.2 Ų35.23%0.03316%0.159CC..Hα-helixtrans-70-33.3-178.1-74.4-74.4-13.200113.3I227 S231 T235 Y333 V334 A335 L341I227-Q337 HydrophobicContact CD1-CB 3.27Å; I227-Q337 HydrophobicContact CD1-CG 4.42Å; S231-Q337 VanDerWaalsContact OG-CD 3.28Å; S231-Q337 PolarHBondContact OG-OE1 3.04Å; T235-Q337 PolarHBondContact OG1-NE2 3.42Å; Y333-Q337 HydrophobicContact CD1-CG 4.01Å; Y333-Q337 HydrophobicContact CE1-CG 3.7Å; Y333-Q337 VanDerWaalsContact O-CB 3.31Å; Y333-Q337 WeakPolarHBondContact O-CB 3.29Å; Y333-Q337 VanDerWaalsContact O-CG 3.24Å; Y333-Q337 WeakPolarHBondContact O-CG 3.41Å; Y333-Q337 PolarHBondContact O-N 3.34Å; Y333-Q337 PolarHBondContact OH-NE2 2.82Å; V334-Q337 PolarHBondContact O-N 3.19Å; A335-Q337 PolarHBondContact O-N 3Å; Q337-L341 WeakPolarHBondContact O-CB 3.48Å; Q337-L341 PolarHBondContact O-N 3.04Å
338L92.4Very high89.9Confident0 Ų036.9 Ų36.90%017%0.168CC..Hα-helixtrans-67.5-38.8170.5-82.3175.9000111.7I227 V300 L303 V329 V334 A335 L341 L342 V398 Y418I227-L338 HydrophobicContact CD1-CG 4.16Å; V300-L338 HydrophobicContact CG2-CD2 4.22Å; L303-L338 HydrophobicContact CD2-CD1 4.41Å; L303-L338 HydrophobicContact CD2-CD2 4.02Å; V329-L338 HydrophobicContact CG1-CD1 3.8Å; V334-L338 HydrophobicContact CG1-CD1 3.99Å; V334-L338 HydrophobicContact CG1-CG 4.25Å; V334-L338 WeakPolarHBondContact O-CB 3.31Å; V334-L338 WeakPolarHBondContact O-CG 3.41Å; V334-L338 PolarHBondContact O-N 2.84Å; A335-L338 PolarHBondContact O-N 3.32Å; L338-L341 HydrophobicContact CD2-CD2 4.16Å; L338-L341 PolarHBondContact O-N 2.8Å; L338-L342 WeakPolarHBondContact O-CB 3.44Å; L338-L342 VanDerWaalsContact O-CG 3.23Å; L338-L342 WeakPolarHBondContact O-CG 3.45Å; L338-L342 PolarHBondContact O-N 3.27Å; L338-V398 HydrophobicContact CB-CG1 4.06Å; L338-V398 HydrophobicContact CD1-CG1 4.27Å; L338-Y418 HydrophobicContact CD1-CD1 4.41Å; L338-Y418 HydrophobicContact CD1-CD2 4.4Å; L338-Y418 HydrophobicContact CD1-CG 4.28Å
339K92.8Very high89.8Confident41 Ų4139.2 Ų39.218%0.17818%0.18CC..Hα-helixtrans-59-48.2173.4-177.1-94.2179-167.50111.2A335 Y336 L341 L342 E343 V358 F360 V398A335-K339 PolarHBondContact O-N 2.94Å; Y336-K339 WeakPolarHBondContact O-CB 3.49Å; Y336-K339 PolarHBondContact O-N 2.86Å; K339-L341 VanDerWaalsContact C-N 3.34Å; K339-L341 PolarHBondContact O-N 2.9Å; K339-L342 PolarHBondContact O-N 3.28Å; K339-E343 WeakPolarHBondContact CD-OE2 3.46Å; K339-E343 VanDerWaalsContact CE-OE1 3.26Å; K339-E343 WeakPolarHBondContact CE-OE1 3.41Å; K339-E343 VanDerWaalsContact CE-OE2 3.27Å; K339-E343 WeakPolarHBondContact CE-OE2 3.38Å; K339-E343 IonicContact NZ-OE1 3.58Å; K339-E343 PolarHBondContact NZ-OE1 3.16Å; K339-E343 IonicContact NZ-OE2 2.88Å; K339-E343 PolarHBondContact NZ-OE2 2.82Å; K339-E343 WeakPolarHBondContact O-CG 3.39Å; K339-E343 PolarHBondContact O-N 2.94Å; K339-V358 HydrophobicContact CB-CG1 4.38Å; K339-V358 WeakPolarHBondContact CE-O 3.49Å; K339-V358 HydrophobicContact CG-CB 4.48Å; K339-V358 HydrophobicContact CG-CG1 4.01Å; K339-F360 HydrophobicContact CB-CB 3.99Å; K339-F360 HydrophobicContact CB-CD1 4.46Å; K339-F360 HydrophobicContact CB-CG 4.47Å; K339-F360 HydrophobicContact CD-CD1 4.13Å; K339-F360 HydrophobicContact CG-CB 4.21Å; K339-F360 HydrophobicContact CG-CD1 4.17Å; K339-V398 HydrophobicContact CB-CG2 4.4Å
340V89.7Confident89.7Confident23 Ų2342.3 Ų42.314%0.13921%0.206CC..Hα-helixtrans-64.4-34.1176.3172.80000112.9W230 Y336 E344W230-V340 HydrophobicContact CH2-CG1 4.22Å; Y336-V340 HydrophobicContact CD2-CG2 4.39Å; Y336-V340 HydrophobicContact CE1-CG2 4.2Å; Y336-V340 HydrophobicContact CE2-CG2 3.88Å; Y336-V340 WeakPolarHBondContact O-CG2 3.47Å; Y336-V340 PolarHBondContact O-N 2.98Å; V340-E344 PolarHBondContact O-N 3.24Å
341L93.2Very high89.6Confident1 Ų149 Ų491%0.00522%0.222CC..Hα-helixtrans-67.8-46.2173.5-179.778.3000111.7I227 W230 L292 V296 V300 Q337 L338 K339 E343 E344 V345I227-L341 HydrophobicContact CG2-CD2 4.16Å; W230-L341 HydrophobicContact CD2-CD1 4.11Å; W230-L341 HydrophobicContact CE3-CD1 3.41Å; W230-L341 VanDerWaalsContact CE3-CD1 3.41Å; W230-L341 HydrophobicContact CH2-CD1 4.34Å; W230-L341 HydrophobicContact CZ3-CB 3.96Å; W230-L341 HydrophobicContact CZ3-CD1 3.56Å; W230-L341 HydrophobicContact CZ3-CG 4.37Å; L292-L341 HydrophobicContact CD1-CD1 4.01Å; L292-L341 HydrophobicContact CD2-CD1 3.98Å; L292-L341 HydrophobicContact CG-CD1 4.23Å; V296-L341 HydrophobicContact CG1-CD1 4.01Å; V296-L341 HydrophobicContact CG1-CD2 4.29Å; V300-L341 HydrophobicContact CG1-CD2 3.34Å; Q337-L341 WeakPolarHBondContact O-CB 3.48Å; Q337-L341 PolarHBondContact O-N 3.04Å; L338-L341 HydrophobicContact CD2-CD2 4.16Å; L338-L341 PolarHBondContact O-N 2.8Å; K339-L341 VanDerWaalsContact C-N 3.34Å; K339-L341 PolarHBondContact O-N 2.9Å; L341-E343 VanDerWaalsContact C-N 3.35Å; L341-E343 PolarHBondContact O-N 3.28Å; L341-E344 WeakPolarHBondContact O-CB 3.25Å; L341-E344 PolarHBondContact O-N 2.76Å; L341-E344 VanDerWaalsContact O-N 3.1Å; L341-V345 WeakPolarHBondContact O-CG2 3.39Å; L341-V345 PolarHBondContact O-N 2.69Å
342L94.3Very high89.7Confident1 Ų147.1 Ų47.11%0.00522%0.215CC..Hα-helixtrans-66.4-37.4-177.8-71.2166000111.5L304 L307 I327 L338 K339 E344 V345 V346 V358 L396 V398L304-L342 HydrophobicContact CD2-CD2 3.66Å; L307-L342 HydrophobicContact CD1-CD2 3.56Å; I327-L342 HydrophobicContact CD1-CD1 3.99Å; L338-L342 WeakPolarHBondContact O-CB 3.44Å; L338-L342 VanDerWaalsContact O-CG 3.23Å; L338-L342 WeakPolarHBondContact O-CG 3.45Å; L338-L342 PolarHBondContact O-N 3.27Å; K339-L342 PolarHBondContact O-N 3.28Å; L342-E344 VanDerWaalsContact C-N 3.3Å; L342-E344 PolarHBondContact O-N 3Å; L342-V345 PolarHBondContact O-N 3.45Å; L342-V346 WeakPolarHBondContact O-CG2 3.47Å; L342-V346 PolarHBondContact O-N 3.29Å; L342-V358 HydrophobicContact CB-CG1 4.21Å; L342-V358 HydrophobicContact CB-CG2 4.09Å; L342-V358 HydrophobicContact CD1-CG1 4Å; L342-L396 HydrophobicContact CD1-CD2 4.01Å; L342-V398 HydrophobicContact CD1-CG2 4.1Å
343E92.6Very high90.1Very high83 Ų8342.5 Ų42.539%0.38820%0.198SC..Hα-helixtrans-60-38.4169.7-73.2177.7131.600112.5K339 L341 V346 R347K339-E343 WeakPolarHBondContact CD-OE2 3.46Å; K339-E343 VanDerWaalsContact CE-OE1 3.26Å; K339-E343 WeakPolarHBondContact CE-OE1 3.41Å; K339-E343 VanDerWaalsContact CE-OE2 3.27Å; K339-E343 WeakPolarHBondContact CE-OE2 3.38Å; K339-E343 IonicContact NZ-OE1 3.58Å; K339-E343 PolarHBondContact NZ-OE1 3.16Å; K339-E343 IonicContact NZ-OE2 2.88Å; K339-E343 PolarHBondContact NZ-OE2 2.82Å; K339-E343 WeakPolarHBondContact O-CG 3.39Å; K339-E343 PolarHBondContact O-N 2.94Å; L341-E343 VanDerWaalsContact C-N 3.35Å; L341-E343 PolarHBondContact O-N 3.28Å; E343-V346 PolarHBondContact O-N 2.8Å; E343-R347 WeakPolarHBondContact O-CB 3.28Å; E343-R347 PolarHBondContact O-N 3.11Å
344E92.3Very high90.3Very high18 Ų1842.5 Ų42.58%0.08421%0.211CC..Hα-helixtrans-67.8-39.5174-162.678-168.400112.1W230 R234 V340 L341 L342 V346 R347 L348W230-E344 HydrophobicContact CH2-CB 3.67Å; W230-E344 HydrophobicContact CH2-CG 4.09Å; W230-E344 HydrophobicContact CZ2-CB 3.55Å; W230-E344 HydrophobicContact CZ2-CG 3.41Å; W230-E344 VanDerWaalsContact CZ2-CG 3.41Å; R234-E344 IonicContact CZ-OE2 2.66Å; R234-E344 IonicContact NH1-OE2 3.94Å; R234-E344 PolarHBondContact NH1-OE2 2.89Å; R234-E344 IonicContact NH2-OE1 2.62Å; R234-E344 PolarHBondContact NH2-OE1 2.81Å; R234-E344 IonicContact NH2-OE2 3.18Å; R234-E344 PolarHBondContact NH2-OE2 3.3Å; V340-E344 PolarHBondContact O-N 3.24Å; L341-E344 WeakPolarHBondContact O-CB 3.25Å; L341-E344 PolarHBondContact O-N 2.76Å; L341-E344 VanDerWaalsContact O-N 3.1Å; L342-E344 VanDerWaalsContact C-N 3.3Å; L342-E344 PolarHBondContact O-N 3Å; E344-V346 VanDerWaalsContact C-N 3.32Å; E344-V346 PolarHBondContact O-N 3.37Å; E344-R347 CarbonylContact O-C 3.58Å; E344-R347 WeakPolarHBondContact O-CA 3.2Å; E344-R347 WeakPolarHBondContact O-CB 3.4Å; E344-R347 PolarHBondContact O-N 3.17Å; E344-R347 VanDerWaalsContact O-N 3.1Å; E344-R347 IonicContact OE1-CZ 2.92Å; E344-R347 VanDerWaalsContact OE1-CZ 3.22Å; E344-R347 IonicContact OE1-NE 2.75Å; E344-R347 PolarHBondContact OE1-NE 3Å; E344-R347 IonicContact OE1-NH2 3.78Å; E344-R347 PolarHBondContact OE1-NH2 2.82Å; E344-R347 IonicContact OE2-NE 2.86Å; E344-L348 HydrophobicContact CG-CD1 3.96Å; E344-L348 HydrophobicContact CG-CG 4.24Å; E344-L348 WeakPolarHBondContact O-CB 3.48Å; E344-L348 VanDerWaalsContact O-CG 3.3Å; E344-L348 WeakPolarHBondContact O-CG 3.48Å; E344-L348 PolarHBondContact O-N 2.79Å
345V93.7Very high90.3Very high1 Ų145.1 Ų45.11%0.00622%0.222CC..Hα-helixtrans-61.1-42.8175.5170.50000110.7V289 L292 L304 L341 L342 R347 L348 D349 Y353V289-V345 HydrophobicContact CG1-CG1 4.3Å; V289-V345 HydrophobicContact CG2-CG1 4.19Å; L292-V345 HydrophobicContact CD2-CG2 3.66Å; L304-V345 HydrophobicContact CD1-CG2 3.95Å; L304-V345 HydrophobicContact CD2-CG1 4.3Å; L304-V345 HydrophobicContact CD2-CG2 3.91Å; L341-V345 WeakPolarHBondContact O-CG2 3.39Å; L341-V345 PolarHBondContact O-N 2.69Å; L342-V345 PolarHBondContact O-N 3.45Å; V345-R347 VanDerWaalsContact C-N 3.32Å; V345-R347 PolarHBondContact O-N 2.96Å; V345-L348 PolarHBondContact O-N 3.09Å; V345-D349 PolarHBondContact O-N 2.96Å; V345-Y353 HydrophobicContact CG1-CD1 3.97Å; V345-Y353 HydrophobicContact CG1-CD2 3.37Å; V345-Y353 HydrophobicContact CG1-CE1 4.19Å; V345-Y353 HydrophobicContact CG1-CE2 3.63Å; V345-Y353 HydrophobicContact CG1-CG 3.55Å
346V92.5Very high90.4Very high33 Ų3345.5 Ų45.520%0.223%0.225CC..Hα-helixtrans-61.8-38.7172.3173.10000111.6L342 E343 E344 D349 A350 L356L342-V346 WeakPolarHBondContact O-CG2 3.47Å; L342-V346 PolarHBondContact O-N 3.29Å; E343-V346 PolarHBondContact O-N 2.8Å; E344-V346 VanDerWaalsContact C-N 3.32Å; E344-V346 PolarHBondContact O-N 3.37Å; V346-D349 CarbonylContact O-C 3.58Å; V346-A350 WeakPolarHBondContact O-CA 3.37Å; V346-A350 PolarHBondContact O-N 3.49Å; V346-A350 VanDerWaalsContact O-N 3.11Å; V346-L356 HydrophobicContact CG2-CB 4.03Å
347R92.6Very high90.6Very high160 Ų16047.9 Ų47.960%0.60424%0.236SC*.Hα-helixtrans-69.7-32.5176.9-162.3-167.470.669.9-0.5113.4E343 E344 V345E343-R347 WeakPolarHBondContact O-CB 3.28Å; E343-R347 PolarHBondContact O-N 3.11Å; E344-R347 CarbonylContact O-C 3.58Å; E344-R347 WeakPolarHBondContact O-CA 3.2Å; E344-R347 WeakPolarHBondContact O-CB 3.4Å; E344-R347 PolarHBondContact O-N 3.17Å; E344-R347 VanDerWaalsContact O-N 3.1Å; E344-R347 IonicContact OE1-CZ 2.92Å; E344-R347 VanDerWaalsContact OE1-CZ 3.22Å; E344-R347 IonicContact OE1-NE 2.75Å; E344-R347 PolarHBondContact OE1-NE 3Å; E344-R347 IonicContact OE1-NH2 3.78Å; E344-R347 PolarHBondContact OE1-NH2 2.82Å; E344-R347 IonicContact OE2-NE 2.86Å; V345-R347 VanDerWaalsContact C-N 3.32Å; V345-R347 PolarHBondContact O-N 2.96Å
348L91.8Very high90.9Very high36 Ų3648.1 Ų48.119%0.18824%0.238CC..Hα-helixtrans-85.6-34.1-178.4-71.4172.4000112.8V286 V289 L292 E344 V345V286-L348 HydrophobicContact CG1-CD1 4.13Å; V289-L348 HydrophobicContact CG2-CB 3.84Å; L292-L348 HydrophobicContact CB-CD1 4.49Å; L292-L348 HydrophobicContact CD2-CD1 3.98Å; E344-L348 HydrophobicContact CG-CD1 3.96Å; E344-L348 HydrophobicContact CG-CG 4.24Å; E344-L348 WeakPolarHBondContact O-CB 3.48Å; E344-L348 VanDerWaalsContact O-CG 3.3Å; E344-L348 WeakPolarHBondContact O-CG 3.48Å; E344-L348 PolarHBondContact O-N 2.79Å; V345-L348 PolarHBondContact O-N 3.09Å
349D91Very high90.8Very high48 Ų4848.3 Ų48.326%0.25724%0.24SC..  trans-141.878.9173.8-173.3-2.5000111.8V289 V345 V346 R351 T352 Y353V289-D349 HydrophobicContact CG2-CB 3.68Å; V345-D349 PolarHBondContact O-N 2.96Å; V346-D349 CarbonylContact O-C 3.58Å; D349-R351 PolarHBondContact O-N 3.35Å; D349-R351 WeakPolarHBondContact OD1-CA 3.34Å; D349-R351 WeakPolarHBondContact OD1-CB 3.2Å; D349-R351 PolarHBondContact OD1-N 3.48Å; D349-T352 VanDerWaalsContact CG-OG1 3.31Å; D349-T352 PolarHBondContact O-N 3.18Å; D349-T352 PolarHBondContact OD1-N 2.84Å; D349-T352 PolarHBondContact OD1-OG1 3.43Å; D349-T352 WeakPolarHBondContact OD2-CB 3.44Å; D349-T352 PolarHBondContact OD2-OG1 3.4Å; D349-Y353 HydrophobicContact CB-CD2 4.35Å; D349-Y353 PolarHBondContact O-N 3.34Å
350A88.3Confident90.6Very high67 Ų6749.3 Ų49.355%0.55425%0.245SC*.Hα-helixtrans-63.3-17.1172.700000113.4V346 G354V346-A350 WeakPolarHBondContact O-CA 3.37Å; V346-A350 PolarHBondContact O-N 3.49Å; V346-A350 VanDerWaalsContact O-N 3.11Å; A350-G354 WeakPolarHBondContact O-CA 3.32Å; A350-G354 PolarHBondContact O-N 3.27Å
351R85.9Confident90.3Very high229 Ų22948.3 Ų48.386%0.86424%0.238SC*.Hα-helixtrans-77.6-41.6176.9-172.9-177.3-178.8-172.10.7111.2N311 D349N311-R351 PolarHBondContact ND2-O 2.97Å; N311-R351 VanDerWaalsContact ND2-O 3.11Å; D349-R351 PolarHBondContact O-N 3.35Å; D349-R351 WeakPolarHBondContact OD1-CA 3.34Å; D349-R351 WeakPolarHBondContact OD1-CB 3.2Å; D349-R351 PolarHBondContact OD1-N 3.48Å
352T85.9Confident89.5Confident35 Ų3549 Ų4922%0.21524%0.243CC..Hα-helixtrans-85-29.2178.7-54.80000112.5R308 N311 D349 F355R308-T352 HydrophobicContact CG-CG2 3.77Å; N311-T352 VanDerWaalsContact ND2-C 3.31Å; N311-T352 WeakPolarHBondContact ND2-CA 3.34Å; N311-T352 PolarHBondContact ND2-O 3.4Å; D349-T352 VanDerWaalsContact CG-OG1 3.31Å; D349-T352 PolarHBondContact O-N 3.18Å; D349-T352 PolarHBondContact OD1-N 2.84Å; D349-T352 PolarHBondContact OD1-OG1 3.43Å; D349-T352 WeakPolarHBondContact OD2-CB 3.44Å; D349-T352 PolarHBondContact OD2-OG1 3.4Å; T352-F355 WeakPolarHBondContact O-CE1 3.43Å
353Y90Very high88.1Confident0 Ų049.6 Ų49.60%025%0.249CC..Hα-helixtrans-124.2-4.3-171.6-65.3-80.2000115.8V289 L304 L307 R308 V345 D349 F355 L356V289-Y353 HydrophobicContact CG1-CE2 4.25Å; L304-Y353 PolarHBondContact O-OH 3.11Å; L307-Y353 HydrophobicContact CB-CE1 4.17Å; R308-Y353 HydrophobicContact CB-CE1 4.46Å; R308-Y353 PolarHBondContact NE-OH 3.5Å; R308-Y353 PolarHBondContact NH2-OH 2.75Å; V345-Y353 HydrophobicContact CG1-CD1 3.97Å; V345-Y353 HydrophobicContact CG1-CD2 3.37Å; V345-Y353 HydrophobicContact CG1-CE1 4.19Å; V345-Y353 HydrophobicContact CG1-CE2 3.63Å; V345-Y353 HydrophobicContact CG1-CG 3.55Å; D349-Y353 HydrophobicContact CB-CD2 4.35Å; D349-Y353 PolarHBondContact O-N 3.34Å; Y353-F355 PolarHBondContact O-N 3.45Å; Y353-L356 HydrophobicContact CD1-CD1 3.94Å; Y353-L356 WeakPolarHBondContact O-CB 3.49Å; Y353-L356 PolarHBondContact O-N 2.82Å
354G85.5Confident86.5Confident44 Ų4450.8 Ų50.845%0.45425%0.254SS..THydrogen-bonded Turntrans-62-7.3-174.800000116.8A350 L356A350-G354 WeakPolarHBondContact O-CA 3.32Å; A350-G354 PolarHBondContact O-N 3.27Å; G354-L356 VanDerWaalsContact C-N 3.28Å
355F87.9Confident84.2Confident55 Ų5553.4 Ų53.424%0.24127%0.274CS..THydrogen-bonded Turntrans-77.1-11.2170.274.3-81.6000113.4N311 F323 T352 Y353 N395N311-F355 HydrophobicContact CB-CD1 4.18Å; N311-F355 HydrophobicContact CB-CE1 3.76Å; N311-F355 HydrophobicContact CB-CZ 4.43Å; F323-F355 HydrophobicContact CB-CD2 4.18Å; F323-F355 HydrophobicContact CB-CE2 4.31Å; F323-F355 HydrophobicContact CD1-CD2 4.3Å; F323-F355 HydrophobicContact CD1-CE2 4.06Å; F323-F355 AromaticContact CD2-CE2 3.88Å; F323-F355 HydrophobicContact CD2-CE2 3.88Å; F323-F355 HydrophobicContact CE1-CE2 4.36Å; F323-F355 HydrophobicContact CE2-CE2 4.18Å; F323-F355 HydrophobicContact CG-CD2 4.12Å; F323-F355 AromaticContact CG-CE2 3.82Å; F323-F355 HydrophobicContact CG-CE2 3.82Å; F323-F355 HydrophobicContact CZ-CE2 4.41Å; T352-F355 WeakPolarHBondContact O-CE1 3.43Å; Y353-F355 PolarHBondContact O-N 3.45Å; F355-N395 PolarHBondContact O-ND2 2.83Å
356L90.7Very high81.5Confident9 Ų960.7 Ų60.75%0.04731%0.308CS..  trans-90.6123.6-177.6-63.2-179.8000112.3L307 F323 V346 Y353 G354 V358 L396L307-L356 HydrophobicContact CB-CD1 4.45Å; L307-L356 HydrophobicContact CD1-CD1 4.16Å; F323-L356 HydrophobicContact CD1-CD2 4.06Å; F323-L356 HydrophobicContact CE1-CD2 3.56Å; F323-L356 HydrophobicContact CZ-CD2 3.99Å; V346-L356 HydrophobicContact CG2-CB 4.03Å; Y353-L356 HydrophobicContact CD1-CD1 3.94Å; Y353-L356 WeakPolarHBondContact O-CB 3.49Å; Y353-L356 PolarHBondContact O-N 2.82Å; G354-L356 VanDerWaalsContact C-N 3.28Å; L356-V358 HydrophobicContact CB-CG2 4.1Å; L356-L396 HydrophobicContact CD1-CD2 4.22Å; L356-L396 HydrophobicContact CD2-CB 4.44Å; L356-L396 HydrophobicContact CD2-CD2 4Å
357K92.2Very high78.6Confident115 Ų11567.3 Ų67.350%0.534%0.337SS..  trans-119105.9173.3-57.5-174.5-174.2178.40108.7E393 L394 N395 L396K357-E393 WeakPolarHBondContact CB-O 3.15Å; K357-E393 WeakPolarHBondContact CD-O 3.13Å; K357-L394 HydrophobicContact CB-CD2 4.35Å; K357-N395 PolarHBondContact N-OD1 3.11Å; K357-N395 PolarHBondContact O-N 2.92Å; K357-N395 PolarHBondContact O-OD1 2.85Å; K357-L396 PolarHBondContact O-N 2.8Å
358V93.2Very high75.6Confident12 Ų1268.3 Ų68.37%0.07334%0.341CS..EExtended strand (participates in β ladder)trans-108.7117.5-156.2-1650000113.6K339 L342 L356 L396 V398K339-V358 HydrophobicContact CB-CG1 4.38Å; K339-V358 WeakPolarHBondContact CE-O 3.49Å; K339-V358 HydrophobicContact CG-CB 4.48Å; K339-V358 HydrophobicContact CG-CG1 4.01Å; L342-V358 HydrophobicContact CB-CG1 4.21Å; L342-V358 HydrophobicContact CB-CG2 4.09Å; L342-V358 HydrophobicContact CD1-CG1 4Å; L356-V358 HydrophobicContact CB-CG2 4.1Å; V358-L396 CarbonylContact C-O 3.57Å; V358-L396 WeakPolarHBondContact CA-O 3.43Å; V358-L396 HydrophobicContact CG1-CB 4.47Å; V358-L396 HydrophobicContact CG1-CD2 4.4Å; V358-L396 HydrophobicContact CG1-CG 4.39Å; V358-L396 HydrophobicContact CG2-CB 4.33Å; V358-L396 HydrophobicContact CG2-CD2 4.23Å; V358-V398 HydrophobicContact CG1-CG2 4.06Å
359G90.2Very high72.5Confident4 Ų473 Ų734%0.04137%0.371CS..EExtended strand (participates in β ladder)trans-105.9175171.100000113.3L396 V398G359-L396 PolarHBondContact N-O 2.71Å; G359-V398 PolarHBondContact O-N 2.74Å
360F88.9Confident69.6Low62 Ų6277.4 Ų77.427%0.27240%0.4SS..EExtended strand (participates in β ladder)trans-144.5151.2170.780.8-74.2000112.4Y336 K339 V362 V398Y336-F360 HydrophobicContact CD2-CD1 4.46Å; Y336-F360 AromaticContact CD2-CE1 3.92Å; Y336-F360 HydrophobicContact CD2-CE1 3.92Å; Y336-F360 HydrophobicContact CD2-CE2 4.16Å; Y336-F360 AromaticContact CD2-CZ 3.76Å; Y336-F360 HydrophobicContact CD2-CZ 3.76Å; K339-F360 HydrophobicContact CB-CB 3.99Å; K339-F360 HydrophobicContact CB-CD1 4.46Å; K339-F360 HydrophobicContact CB-CG 4.47Å; K339-F360 HydrophobicContact CD-CD1 4.13Å; K339-F360 HydrophobicContact CG-CB 4.21Å; K339-F360 HydrophobicContact CG-CD1 4.17Å; F360-V362 HydrophobicContact CD2-CG1 3.94Å; F360-V362 HydrophobicContact CD2-CG2 4.4Å; F360-V362 HydrophobicContact CE2-CG1 4.26Å; F360-V362 HydrophobicContact CE2-CG2 4.03Å; F360-V398 CarbonylContact C-O 3.57Å; F360-V398 WeakPolarHBondContact CA-O 3.28Å; F360-V398 HydrophobicContact CB-CB 4.27Å; F360-V398 WeakPolarHBondContact CB-O 3.16Å
361I84.1Confident67Low2 Ų280.9 Ų80.91%0.0141%0.405CS..EExtended strand (participates in β ladder)trans-143.3136.8179.1-166.1171.1000112.1Q382 L386 L397 V398 A399 T400 I402 L403I361-Q382 HydrophobicContact CD1-CB 4.19Å; I361-Q382 HydrophobicContact CG1-CB 4.05Å; I361-Q382 HydrophobicContact CG1-CG 3.9Å; I361-L386 HydrophobicContact CD1-CD1 3.72Å; I361-L386 HydrophobicContact CD1-CD2 4.2Å; I361-L386 HydrophobicContact CD1-CG 3.8Å; I361-L397 HydrophobicContact CB-CD2 4.11Å; I361-L397 HydrophobicContact CG2-CD2 3.89Å; I361-V398 PolarHBondContact N-O 2.92Å; I361-A399 HydrophobicContact CG2-CB 3.62Å; I361-A399 WeakPolarHBondContact O-CA 3.2Å; I361-T400 PolarHBondContact O-N 2.96Å; I361-I402 HydrophobicContact CD1-CG2 4.3Å; I361-I402 HydrophobicContact CG1-CD1 4.37Å; I361-L403 HydrophobicContact CD1-CD2 4.2Å; I361-L403 HydrophobicContact CG2-CD1 3.82Å; I361-L403 HydrophobicContact CG2-CD2 4.18Å; I361-L403 HydrophobicContact CG2-CG 3.76Å
362V76.8Confident65Low15 Ų1573.8 Ų73.89%0.09139%0.386CS..  trans-144.1132.3-161.7-72.80000113.7R332 A335 F360 Q364 Q382 T400 I402R332-V362 HydrophobicContact CB-CB 3.91Å; R332-V362 HydrophobicContact CB-CG1 3.76Å; R332-V362 HydrophobicContact CG-CB 3.93Å; R332-V362 HydrophobicContact CG-CG1 4.19Å; A335-V362 HydrophobicContact CB-CG1 3.77Å; F360-V362 HydrophobicContact CD2-CG1 3.94Å; F360-V362 HydrophobicContact CD2-CG2 4.4Å; F360-V362 HydrophobicContact CE2-CG1 4.26Å; F360-V362 HydrophobicContact CE2-CG2 4.03Å; V362-Q364 PolarHBondContact O-N 3.29Å; V362-Q382 PolarHBondContact O-NE2 3.13Å; V362-Q382 VanDerWaalsContact O-NE2 3.11Å; V362-Q382 PolarHBondContact O-OE1 2.85Å; V362-T400 WeakPolarHBondContact CA-OG1 3.26Å; V362-T400 HydrophobicContact CG1-CG2 4.2Å; V362-I402 WeakPolarHBondContact O-CD1 3.48Å
363G63.8Low62.8Low13 Ų1372.6 Ų72.613%0.13438%0.382CS..  trans-41.7138.1174.400000114R332 T400R332-G363 WeakPolarHBondContact CD-O 3.47Å; R332-G363 PolarHBondContact NE-O 2.9Å; R332-G363 PolarHBondContact NH1-O 3.13Å; G363-T400 PolarHBondContact N-OG1 3.17Å
364Q59.6Low60.3Low109 Ų10976.8 Ų76.851%0.50940%0.403SS..  trans-72.4157.9157-75.3-175.7-16.600109.9R332 V362 A375R332-Q364 VanDerWaalsContact NH2-C 3.27Å; R332-Q364 PolarHBondContact NH2-O 2.95Å; V362-Q364 PolarHBondContact O-N 3.29Å; Q364-A375 PolarHBondContact NE2-O 3.21Å
365S42.9Very low58.1Low72 Ų7277 Ų7750%0.50340%0.4SS..  trans-122.4132.4176.532.40000110.8R332 Q367R332-S365 PolarHBondContact NH1-OG 3.41Å; S365-Q367 PolarHBondContact O-N 2.82Å
366Q38.3Very low56Low154 Ų15476 Ų7672%0.7240%0.402SS*.  trans-68.514.2174.4-62.4164.5-63.200113.9R368Q366-R368 PolarHBondContact O-N 3.34Å; Q366-R368 VanDerWaalsContact O-N 3.14Å
367Q31.5Very low53.9Low173 Ų17377.8 Ų77.881%0.80841%0.41SS*.  trans-87.185.4178.7-75-162.2-24.300111.7S365S365-Q367 PolarHBondContact O-N 2.82Å
368R28.2Very low52Low181 Ų18176.7 Ų76.768%0.68341%0.407SS*.  trans36.3101.9135.4-60.4176.5178.1165.90.4117.1Q366 D1064Q366-R368 PolarHBondContact O-N 3.34Å; Q366-R368 VanDerWaalsContact O-N 3.14Å; R368-D1064 IonicContact CZ-OD2 3.29Å; R368-D1064 VanDerWaalsContact CZ-OD2 3.29Å; R368-D1064 IonicContact NE-OD2 2.72Å; R368-D1064 PolarHBondContact NE-OD2 3.42Å; R368-D1064 IonicContact NH2-OD2 2.74Å; R368-D1064 PolarHBondContact NH2-OD2 3.33Å
369T27Very low50.3Low134 Ų13479 Ų7982%0.82242%0.423SS*.  -171.2158.7111.9-71.60000108.5Q371T369-Q371 PolarHBondContact O-N 3.37Å
370V31Very low48.8Very low140 Ų14084.6 Ų84.685%0.84844%0.443SS*.SBendtrans-72.787.3-178.6-176.40000111.1
371Q34.4Very low47.6Very low141 Ų14187.7 Ų87.766%0.65945%0.453SS*.  trans-146.897.7161-72.9-170.9-23.700107.5T369T369-Q371 PolarHBondContact O-N 3.37Å
372T43.9Very low47Very low79 Ų7988.8 Ų88.849%0.48546%0.458SS..  trans-70.5-52.8-169.254.50000112.5I374 A375 E1450T372-I374 VanDerWaalsContact C-N 3.32Å; T372-I374 PolarHBondContact O-N 2.73Å; T372-A375 WeakPolarHBondContact O-CB 3.19Å; T372-A375 PolarHBondContact O-N 2.81Å; T372-E1450 VanDerWaalsContact C-OE1 3.23Å; T372-E1450 WeakPolarHBondContact CB-OE2 3.34Å; T372-E1450 PolarHBondContact OG1-OE2 3.47Å
373G38.2Very low46.5Very low11 Ų1191.8 Ų91.811%0.11347%0.471CS..Hα-helixtrans-49.1-40.4-170.800000116.6A375 A376 E377 E1450G373-A375 PolarHBondContact O-N 2.89Å; G373-A376 PolarHBondContact O-N 2.76Å; G373-E377 WeakPolarHBondContact O-CB 3.28Å; G373-E377 PolarHBondContact O-N 2.86Å; G373-E1450 PolarHBondContact N-OE1 2.87Å
374I37.4Very low46.9Very low88 Ų8895.2 Ų95.245%0.45148%0.484SS..Hα-helixtrans-63.4-31-178.7-55.6177.1000111.6T372 Q378T372-I374 VanDerWaalsContact C-N 3.32Å; T372-I374 PolarHBondContact O-N 2.73Å; I374-Q378 PolarHBondContact O-N 3.19Å
375A39.6Very low47.8Very low48 Ų4891.4 Ų91.440%0.39747%0.468SS..Hα-helixtrans-74.3-39.7178.300000112.1Q364 T372 G373 C379Q364-A375 PolarHBondContact NE2-O 3.21Å; T372-A375 WeakPolarHBondContact O-CB 3.19Å; T372-A375 PolarHBondContact O-N 2.81Å; G373-A375 PolarHBondContact O-N 2.89Å; A375-C379 PolarHBondContact O-N 3.19Å; A375-C379 VanDerWaalsContact O-N 3.07Å
376A44.9Very low49.4Very low33 Ų3388.4 Ų88.427%0.27345%0.446SS..Hα-helixtrans-71.4-40.9175.700000112.2G373 Q378 C379 R380 E1450G373-A376 PolarHBondContact O-N 2.76Å; A376-Q378 VanDerWaalsContact C-N 3.29Å; A376-Q378 PolarHBondContact O-N 3.07Å; A376-C379 WeakPolarHBondContact O-CA 3.48Å; A376-C379 WeakPolarHBondContact O-CB 3.31Å; A376-C379 PolarHBondContact O-N 2.81Å; A376-R380 PolarHBondContact O-N 2.88Å; A376-E1450 HydrophobicContact CB-CB 4.35Å; A376-E1450 HydrophobicContact CB-CG 3.83Å; A376-E1450 VanDerWaalsContact CB-OE1 3.24Å; A376-E1450 WeakPolarHBondContact CB-OE1 3.48Å
377E44.9Very low51.1Low48 Ų4884.3 Ų84.322%0.22443%0.429CS..Hα-helixtrans-57.3-41.8173.4-168.6-150.7-166.700111.1G373 R381 D1448G373-E377 WeakPolarHBondContact O-CB 3.28Å; G373-E377 PolarHBondContact O-N 2.86Å; E377-R381 PolarHBondContact O-N 2.84Å; E377-R381 VanDerWaalsContact O-N 3.14Å; E377-R381 IonicContact OE1-CZ 3.76Å; E377-R381 IonicContact OE1-NH1 3.17Å; E377-R381 PolarHBondContact OE1-NH1 3.36Å; E377-R381 IonicContact OE1-NH2 2.73Å; E377-R381 PolarHBondContact OE1-NH2 2.7Å; E377-R381 IonicContact OE2-NH1 3.91Å; E377-R381 PolarHBondContact OE2-NH1 2.82Å; E377-D1448 HydrophobicContact CG-CB 4.42Å
378Q54.1Low53.3Low91 Ų9180.2 Ų80.243%0.42541%0.408SS..Hα-helixtrans-66.3-33.7170.9-80.5-167.17.700113.7I374 A376 Q382I374-Q378 PolarHBondContact O-N 3.19Å; A376-Q378 VanDerWaalsContact C-N 3.29Å; A376-Q378 PolarHBondContact O-N 3.07Å; Q378-Q382 WeakPolarHBondContact O-CG 3.26Å; Q378-Q382 PolarHBondContact O-N 3.04Å; Q378-Q382 PolarHBondContact O-NE2 2.82Å
379C56.5Low55.9Low62 Ų6271.7 Ų71.742%0.41938%0.376SS..Hα-helixtrans-68.5-47.5177-158.60000110.7A375 A376 R381 Q382 E383A375-C379 PolarHBondContact O-N 3.19Å; A375-C379 VanDerWaalsContact O-N 3.07Å; A376-C379 WeakPolarHBondContact O-CA 3.48Å; A376-C379 WeakPolarHBondContact O-CB 3.31Å; A376-C379 PolarHBondContact O-N 2.81Å; C379-R381 PolarHBondContact O-N 3.35Å; C379-Q382 WeakPolarHBondContact O-CB 3.36Å; C379-Q382 PolarHBondContact O-N 3.33Å; C379-Q382 VanDerWaalsContact O-N 3.09Å; C379-E383 PolarHBondContact O-N 3.4Å
380R58.7Low58.3Low120 Ų12069.5 Ų69.545%0.45335%0.353SS..Hα-helixtrans-57.3-50.6178.3-169.6-176.2-169.213611.8112.2A376 Q382 E383 E384 E1451A376-R380 PolarHBondContact O-N 2.88Å; R380-Q382 PolarHBondContact O-N 3.43Å; R380-E383 PolarHBondContact O-N 3.23Å; R380-E383 VanDerWaalsContact O-N 3.15Å; R380-E384 IonicContact NE-OE1 2.77Å; R380-E384 WeakPolarHBondContact O-CG 3.32Å; R380-E384 PolarHBondContact O-N 2.63Å; R380-E1451 IonicContact CZ-OE2 3.93Å; R380-E1451 IonicContact NH1-OE2 3.84Å; R380-E1451 PolarHBondContact NH1-OE2 3.31Å; R380-E1451 IonicContact NH2-OE2 3.76Å; R380-E1451 PolarHBondContact NH2-OE2 3.29Å
381R64.1Low60.4Low128 Ų12867.4 Ų67.448%0.48334%0.337SS..Hα-helixtrans-61.6-27.9177-73.3-171.8-179.1123.19.2113.4E377 C379 T385E377-R381 PolarHBondContact O-N 2.84Å; E377-R381 VanDerWaalsContact O-N 3.14Å; E377-R381 IonicContact OE1-CZ 3.76Å; E377-R381 IonicContact OE1-NH1 3.17Å; E377-R381 PolarHBondContact OE1-NH1 3.36Å; E377-R381 IonicContact OE1-NH2 2.73Å; E377-R381 PolarHBondContact OE1-NH2 2.7Å; E377-R381 IonicContact OE2-NH1 3.91Å; E377-R381 PolarHBondContact OE2-NH1 2.82Å; C379-R381 PolarHBondContact O-N 3.35Å; R381-T385 WeakPolarHBondContact O-CB 3.43Å; R381-T385 PolarHBondContact O-N 3.34Å; R381-T385 VanDerWaalsContact O-N 3.1Å; R381-T385 PolarHBondContact O-OG1 2.9Å
382Q70.6Confident62.4Low24 Ų2467.8 Ų67.811%0.11234%0.336CS..Hα-helixtrans-75.6-39.3175.3-73.8-178.568.400112.1I361 V362 Q378 C379 R380 T385 L386I361-Q382 HydrophobicContact CD1-CB 4.19Å; I361-Q382 HydrophobicContact CG1-CB 4.05Å; I361-Q382 HydrophobicContact CG1-CG 3.9Å; V362-Q382 PolarHBondContact O-NE2 3.13Å; V362-Q382 VanDerWaalsContact O-NE2 3.11Å; V362-Q382 PolarHBondContact O-OE1 2.85Å; Q378-Q382 WeakPolarHBondContact O-CG 3.26Å; Q378-Q382 PolarHBondContact O-N 3.04Å; Q378-Q382 PolarHBondContact O-NE2 2.82Å; C379-Q382 WeakPolarHBondContact O-CB 3.36Å; C379-Q382 PolarHBondContact O-N 3.33Å; C379-Q382 VanDerWaalsContact O-N 3.09Å; R380-Q382 PolarHBondContact O-N 3.43Å; Q382-T385 PolarHBondContact O-N 3.42Å; Q382-L386 PolarHBondContact O-N 3.47Å
383E67.7Low64.3Low79 Ų7968.7 Ų68.737%0.36934%0.335SS..Hα-helixtrans-72.1-37.2176.1-166.4144.7-163.400112.1C379 R380 T385 L386 N387 R531C379-E383 PolarHBondContact O-N 3.4Å; R380-E383 PolarHBondContact O-N 3.23Å; R380-E383 VanDerWaalsContact O-N 3.15Å; E383-T385 VanDerWaalsContact C-N 3.32Å; E383-T385 PolarHBondContact O-N 2.88Å; E383-L386 WeakPolarHBondContact O-CB 3.44Å; E383-L386 PolarHBondContact O-N 2.82Å; E383-N387 PolarHBondContact O-N 3.35Å; E383-R531 IonicContact OE1-NH2 3.82Å; E383-R531 PolarHBondContact OE1-NH2 3.42Å
384E72.1Confident66.6Low85 Ų8569.6 Ų69.640%0.39734%0.338SS..Hα-helixtrans-56.7-44.4166.4-73.7174.1-160.100111.8R380 L386 N387 K388R380-E384 IonicContact NE-OE1 2.77Å; R380-E384 WeakPolarHBondContact O-CG 3.32Å; R380-E384 PolarHBondContact O-N 2.63Å; E384-L386 VanDerWaalsContact C-N 3.32Å; E384-L386 PolarHBondContact O-N 2.93Å; E384-N387 PolarHBondContact O-N 3.42Å; E384-K388 WeakPolarHBondContact O-CB 3.09Å; E384-K388 VanDerWaalsContact O-CG 3.26Å; E384-K388 WeakPolarHBondContact O-CG 3.43Å; E384-K388 PolarHBondContact O-N 2.95Å
385T78.6Confident69.2Low29 Ų2966.7 Ų66.718%0.17832%0.323CS..Hα-helixtrans-66.2-34.5177.9-59.70000111.9R381 Q382 E383 F389 L394 L397R381-T385 WeakPolarHBondContact O-CB 3.43Å; R381-T385 PolarHBondContact O-N 3.34Å; R381-T385 VanDerWaalsContact O-N 3.1Å; R381-T385 PolarHBondContact O-OG1 2.9Å; Q382-T385 PolarHBondContact O-N 3.42Å; E383-T385 VanDerWaalsContact C-N 3.32Å; E383-T385 PolarHBondContact O-N 2.88Å; T385-F389 WeakPolarHBondContact O-CB 3.04Å; T385-F389 PolarHBondContact O-N 3.06Å; T385-F389 VanDerWaalsContact O-N 3.14Å; T385-L394 HydrophobicContact CG2-CD1 3.83Å; T385-L397 HydrophobicContact CG2-CD2 4.16Å
386L76.2Confident71.7Confident9 Ų964.4 Ų64.45%0.04730%0.304CS..Hα-helixtrans-67.4-45.4173.6-82.1164.9000112.2I361 Q382 E383 E384 F389 R390 L403 I407 V409I361-L386 HydrophobicContact CD1-CD1 3.72Å; I361-L386 HydrophobicContact CD1-CD2 4.2Å; I361-L386 HydrophobicContact CD1-CG 3.8Å; Q382-L386 PolarHBondContact O-N 3.47Å; E383-L386 WeakPolarHBondContact O-CB 3.44Å; E383-L386 PolarHBondContact O-N 2.82Å; E384-L386 VanDerWaalsContact C-N 3.32Å; E384-L386 PolarHBondContact O-N 2.93Å; L386-F389 PolarHBondContact O-N 2.87Å; L386-F389 VanDerWaalsContact O-N 3.13Å; L386-R390 WeakPolarHBondContact O-CG 3Å; L386-R390 PolarHBondContact O-N 3.4Å; L386-L403 HydrophobicContact CD2-CD2 4.02Å; L386-I407 HydrophobicContact CD1-CD1 4.08Å; L386-I407 HydrophobicContact CD1-CG2 3.83Å; L386-I407 HydrophobicContact CD2-CG2 3.9Å; L386-V409 HydrophobicContact CD2-CG1 3.55Å
387N72.7Confident74Confident68 Ų6862.8 Ų62.836%0.36429%0.291SS..Hα-helixtrans-65.5-40.8178.8-70.8-9.4000111.1E383 E384 F389 R390 N391E383-N387 PolarHBondContact O-N 3.35Å; E384-N387 PolarHBondContact O-N 3.42Å; N387-F389 PolarHBondContact O-N 3.08Å; N387-R390 PolarHBondContact O-N 3.11Å; N387-R390 VanDerWaalsContact O-N 3.16Å; N387-R390 PolarHBondContact OD1-NH1 3.14Å; N387-N391 WeakPolarHBondContact O-CB 3.45Å; N387-N391 VanDerWaalsContact O-CG 3.32Å; N387-N391 PolarHBondContact O-N 2.98Å; N387-N391 PolarHBondContact O-OD1 3.49Å
388K79.1Confident76.3Confident86 Ų8660.5 Ų60.537%0.37428%0.28SS..Hα-helixtrans-60.4-31.4171.6-70.7-178.8168.9164.40113.4E384 K392 E393 L394E384-K388 WeakPolarHBondContact O-CB 3.09Å; E384-K388 VanDerWaalsContact O-CG 3.26Å; E384-K388 WeakPolarHBondContact O-CG 3.43Å; E384-K388 PolarHBondContact O-N 2.95Å; K388-K392 PolarHBondContact O-N 2.66Å; K388-E393 HydrophobicContact CB-CB 4.08Å; K388-E393 WeakPolarHBondContact CE-OE2 3.23Å; K388-E393 HydrophobicContact CG-CB 4.45Å; K388-E393 WeakPolarHBondContact CG-OE2 3.43Å; K388-E393 WeakPolarHBondContact O-CA 3.5Å; K388-E393 WeakPolarHBondContact O-CB 3.49Å; K388-E393 PolarHBondContact O-N 3.18Å; K388-L394 HydrophobicContact CB-CD1 3.83Å; K388-L394 HydrophobicContact CB-CG 4.01Å; K388-L394 PolarHBondContact O-N 3.49Å
389F83Confident78Confident2 Ų256.2 Ų56.21%0.00926%0.26CS..Hα-helixtrans-77.7-39.1173.8-172.7-108.3000112.7I326 T385 L386 N387 N391 K392 L394 L397 V409 P410I326-F389 HydrophobicContact CD1-CE1 4.49Å; I326-F389 HydrophobicContact CG1-CE1 4.46Å; I326-F389 HydrophobicContact CG1-CZ 4.11Å; T385-F389 WeakPolarHBondContact O-CB 3.04Å; T385-F389 PolarHBondContact O-N 3.06Å; T385-F389 VanDerWaalsContact O-N 3.14Å; L386-F389 PolarHBondContact O-N 2.87Å; L386-F389 VanDerWaalsContact O-N 3.13Å; N387-F389 PolarHBondContact O-N 3.08Å; F389-N391 VanDerWaalsContact C-N 3.34Å; F389-K392 PolarHBondContact O-N 2.87Å; F389-L394 HydrophobicContact CB-CB 4.32Å; F389-L394 HydrophobicContact CD2-CB 4.22Å; F389-L394 WeakPolarHBondContact CD2-O 3.27Å; F389-L397 HydrophobicContact CB-CD1 3.81Å; F389-L397 HydrophobicContact CD1-CD1 3.69Å; F389-L397 HydrophobicContact CD2-CB 4.24Å; F389-L397 HydrophobicContact CD2-CD1 3.91Å; F389-L397 HydrophobicContact CD2-CG 4.12Å; F389-L397 HydrophobicContact CE1-CD1 4.18Å; F389-L397 HydrophobicContact CE2-CB 4.07Å; F389-L397 HydrophobicContact CE2-CD1 4.38Å; F389-L397 HydrophobicContact CE2-CG 4.45Å; F389-L397 HydrophobicContact CG-CD1 3.55Å; F389-L397 HydrophobicContact CG-CG 4.25Å; F389-L397 HydrophobicContact CZ-CB 4.36Å; F389-V409 HydrophobicContact CD1-CG1 4.38Å; F389-V409 HydrophobicContact CE1-CB 4.42Å; F389-P410 HydrophobicContact CD1-CG 3.62Å; F389-P410 HydrophobicContact CE1-CG 3.58Å; F389-P410 HydrophobicContact CZ-CG 4.44Å
390R77Confident79.5Confident88 Ų8853.5 Ų53.533%0.33224%0.242SC..Hα-helixtrans-59.2-44.7171.5-70.9167.1177.9158.6-4.2111.4L386 N387 K392 D408L386-R390 WeakPolarHBondContact O-CG 3Å; L386-R390 PolarHBondContact O-N 3.4Å; N387-R390 PolarHBondContact O-N 3.11Å; N387-R390 VanDerWaalsContact O-N 3.16Å; N387-R390 PolarHBondContact OD1-NH1 3.14Å; R390-K392 PolarHBondContact O-N 3.36Å; R390-D408 PolarHBondContact NE-O 2.81Å; R390-D408 PolarHBondContact NH2-O 3.18Å
391N74.3Confident80.3Confident96 Ų9651.2 Ų51.251%0.51324%0.244SC..THydrogen-bonded Turntrans-80.32.1-179.1-63.510.6000113.1N387 F389 E393N387-N391 WeakPolarHBondContact O-CB 3.45Å; N387-N391 VanDerWaalsContact O-CG 3.32Å; N387-N391 PolarHBondContact O-N 2.98Å; N387-N391 PolarHBondContact O-OD1 3.49Å; F389-N391 VanDerWaalsContact C-N 3.34Å; N391-E393 PolarHBondContact O-N 2.9Å
392K76.9Confident80.5Confident149 Ų14947.2 Ų47.265%0.64823%0.232SC*.THydrogen-bonded Turntrans62.216.4178.7-49.4172.8-172.7168.20115K388 F389 R390K388-K392 PolarHBondContact O-N 2.66Å; F389-K392 PolarHBondContact O-N 2.87Å; R390-K392 PolarHBondContact O-N 3.36Å
393E83.2Confident80.5Confident98 Ų9846 Ų4646%0.45823%0.226SC..SBendtrans-62.2-36.4163-71.2175.3-118.200110.9K357 K388 N391K357-E393 WeakPolarHBondContact CB-O 3.15Å; K357-E393 WeakPolarHBondContact CD-O 3.13Å; K388-E393 HydrophobicContact CB-CB 4.08Å; K388-E393 WeakPolarHBondContact CE-OE2 3.23Å; K388-E393 HydrophobicContact CG-CB 4.45Å; K388-E393 WeakPolarHBondContact CG-OE2 3.43Å; K388-E393 WeakPolarHBondContact O-CA 3.5Å; K388-E393 WeakPolarHBondContact O-CB 3.49Å; K388-E393 PolarHBondContact O-N 3.18Å; N391-E393 PolarHBondContact O-N 2.9Å
394L88.2Confident80.3Confident31 Ų3142.7 Ų42.716%0.16221%0.211CC..  trans-109.3145.7170.2-63.5173.1000109.5K357 T385 K388 F389K357-L394 HydrophobicContact CB-CD2 4.35Å; T385-L394 HydrophobicContact CG2-CD1 3.83Å; K388-L394 HydrophobicContact CB-CD1 3.83Å; K388-L394 HydrophobicContact CB-CG 4.01Å; K388-L394 PolarHBondContact O-N 3.49Å; F389-L394 HydrophobicContact CB-CB 4.32Å; F389-L394 HydrophobicContact CD2-CB 4.22Å; F389-L394 WeakPolarHBondContact CD2-O 3.27Å
395N90.5Very high79.8Confident26 Ų2641 Ų4114%0.13920%0.203CC..  trans-135.6-0.1179.576.3-10000114.7F323 C324 G325 F355 K357F323-N395 WeakPolarHBondContact O-CB 3.47Å; C324-N395 WeakPolarHBondContact CA-O 3.48Å; G325-N395 PolarHBondContact N-O 2.93Å; F355-N395 PolarHBondContact O-ND2 2.83Å; K357-N395 PolarHBondContact N-OD1 3.11Å; K357-N395 PolarHBondContact O-N 2.92Å; K357-N395 PolarHBondContact O-OD1 2.85Å
396L93.5Very high78.6Confident0 Ų042.3 Ų42.30%022%0.222CC..EExtended strand (participates in β ladder)trans-132.7120.6167.9-174.258.2000109.8L307 F323 G325 I327 L342 L356 K357 V358 G359L307-L396 HydrophobicContact CD1-CD2 4.14Å; L307-L396 HydrophobicContact CD2-CD1 4.47Å; L307-L396 HydrophobicContact CD2-CD2 4.05Å; F323-L396 HydrophobicContact CE1-CB 4.31Å; F323-L396 HydrophobicContact CE1-CD1 4.21Å; F323-L396 HydrophobicContact CZ-CD1 4.32Å; G325-L396 WeakPolarHBondContact O-CA 3.06Å; I327-L396 HydrophobicContact CD1-CD1 3.81Å; I327-L396 HydrophobicContact CD1-CD2 3.91Å; I327-L396 HydrophobicContact CD1-CG 4.08Å; I327-L396 HydrophobicContact CG1-CD1 3.96Å; L342-L396 HydrophobicContact CD1-CD2 4.01Å; L356-L396 HydrophobicContact CD1-CD2 4.22Å; L356-L396 HydrophobicContact CD2-CB 4.44Å; L356-L396 HydrophobicContact CD2-CD2 4Å; K357-L396 PolarHBondContact O-N 2.8Å; V358-L396 CarbonylContact C-O 3.57Å; V358-L396 WeakPolarHBondContact CA-O 3.43Å; V358-L396 HydrophobicContact CG1-CB 4.47Å; V358-L396 HydrophobicContact CG1-CD2 4.4Å; V358-L396 HydrophobicContact CG1-CG 4.39Å; V358-L396 HydrophobicContact CG2-CB 4.33Å; V358-L396 HydrophobicContact CG2-CD2 4.23Å; G359-L396 PolarHBondContact N-O 2.71Å
397L92.9Very high77.9Confident0 Ų044.2 Ų44.20%023%0.231CC..EExtended strand (participates in β ladder)trans-113.1120.1-179.9-120174.6000111.3G325 I326 I327 I361 T385 F389 L403G325-L397 PolarHBondContact O-N 3.08Å; I326-L397 CarbonylContact C-O 3.32Å; I326-L397 WeakPolarHBondContact CA-O 3.42Å; I326-L397 HydrophobicContact CG1-CB 4.31Å; I327-L397 PolarHBondContact N-O 3.49Å; I361-L397 HydrophobicContact CB-CD2 4.11Å; I361-L397 HydrophobicContact CG2-CD2 3.89Å; T385-L397 HydrophobicContact CG2-CD2 4.16Å; F389-L397 HydrophobicContact CB-CD1 3.81Å; F389-L397 HydrophobicContact CD1-CD1 3.69Å; F389-L397 HydrophobicContact CD2-CB 4.24Å; F389-L397 HydrophobicContact CD2-CD1 3.91Å; F389-L397 HydrophobicContact CD2-CG 4.12Å; F389-L397 HydrophobicContact CE1-CD1 4.18Å; F389-L397 HydrophobicContact CE2-CB 4.07Å; F389-L397 HydrophobicContact CE2-CD1 4.38Å; F389-L397 HydrophobicContact CE2-CG 4.45Å; F389-L397 HydrophobicContact CG-CD1 3.55Å; F389-L397 HydrophobicContact CG-CG 4.25Å; F389-L397 HydrophobicContact CZ-CB 4.36Å; L397-L403 HydrophobicContact CD1-CD1 4.12Å
398V93.3Very high77.3Confident0 Ų046.2 Ų46.20%024%0.242CC..EExtended strand (participates in β ladder)trans-91107.5172.8-164.90000109.7I327 V329 A335 L338 K339 L342 V358 G359 F360 I361I327-V398 HydrophobicContact CB-CG1 4.35Å; I327-V398 HydrophobicContact CD1-CG2 4.37Å; I327-V398 HydrophobicContact CG2-CG1 4.34Å; I327-V398 CarbonylContact O-C 3.48Å; I327-V398 WeakPolarHBondContact O-CA 3.24Å; V329-V398 HydrophobicContact CG1-CG1 4.36Å; A335-V398 HydrophobicContact CB-CG1 4.03Å; L338-V398 HydrophobicContact CB-CG1 4.06Å; L338-V398 HydrophobicContact CD1-CG1 4.27Å; K339-V398 HydrophobicContact CB-CG2 4.4Å; L342-V398 HydrophobicContact CD1-CG2 4.1Å; V358-V398 HydrophobicContact CG1-CG2 4.06Å; G359-V398 PolarHBondContact O-N 2.74Å; F360-V398 CarbonylContact C-O 3.57Å; F360-V398 WeakPolarHBondContact CA-O 3.28Å; F360-V398 HydrophobicContact CB-CB 4.27Å; F360-V398 WeakPolarHBondContact CB-O 3.16Å; I361-V398 PolarHBondContact N-O 2.92Å
399A89.9Confident76.7Confident0 Ų042.6 Ų42.60%023%0.227CC..EExtended strand (participates in β ladder)trans-117.7146.3-166.600000113.1I326 I327 F328 V329 I361 L403I326-A399 HydrophobicContact CG2-CB 4.06Å; I327-A399 PolarHBondContact O-N 3.23Å; F328-A399 WeakPolarHBondContact CA-O 3.45Å; F328-A399 HydrophobicContact CD1-CB 4.22Å; F328-A399 HydrophobicContact CE1-CB 4.22Å; V329-A399 PolarHBondContact N-O 2.97Å; I361-A399 HydrophobicContact CG2-CB 3.62Å; I361-A399 WeakPolarHBondContact O-CA 3.2Å; A399-L403 HydrophobicContact CB-CB 4.21Å; A399-L403 HydrophobicContact CB-CD1 3.58Å; A399-L403 HydrophobicContact CB-CG 3.84Å
400T87Confident76Confident6 Ų644.2 Ų44.24%0.03724%0.238CC..  trans-83.9-178155.357.80000111V329 R332 I361 V362 G363 I402 L403V329-T400 HydrophobicContact CG2-CG2 4.13Å; V329-T400 WeakPolarHBondContact O-CA 3.39Å; R332-T400 HydrophobicContact CG-CG2 4.05Å; I361-T400 PolarHBondContact O-N 2.96Å; V362-T400 WeakPolarHBondContact CA-OG1 3.26Å; V362-T400 HydrophobicContact CG1-CG2 4.2Å; G363-T400 PolarHBondContact N-OG1 3.17Å; T400-I402 PolarHBondContact O-N 2.93Å; T400-L403 PolarHBondContact O-N 2.95Å
401S74.9Confident75.8Confident72 Ų7245.5 Ų45.550%0.50325%0.248SC..G310 helixtrans-59.9-1-177.558.80000116L403 E404S401-L403 VanDerWaalsContact C-N 3.32Å; S401-L403 PolarHBondContact O-N 3.07Å; S401-E404 WeakPolarHBondContact O-CB 3.5Å; S401-E404 PolarHBondContact O-N 2.68Å; S401-E404 VanDerWaalsContact O-N 3.14Å
402I69.6Low76.2Confident43 Ų4340.9 Ų40.922%0.22122%0.223CC..G310 helixtrans-47.2-54.5165.2-71.5-171.7000110.5I361 V362 T400 E404 E405 I407I361-I402 HydrophobicContact CD1-CG2 4.3Å; I361-I402 HydrophobicContact CG1-CD1 4.37Å; V362-I402 WeakPolarHBondContact O-CD1 3.48Å; T400-I402 PolarHBondContact O-N 2.93Å; I402-E404 PolarHBondContact O-N 2.84Å; I402-E404 VanDerWaalsContact O-N 3.07Å; I402-E405 PolarHBondContact O-N 1.92Å; I402-I407 HydrophobicContact CG2-CD1 3.36Å; I402-I407 HydrophobicContact CG2-CG1 4.16Å
403L68.9Low76.7Confident0 Ų034.9 Ų34.90%020%0.198CC..G310 helixtrans-74.60.8-174-59.5-172.9000113.9I326 F328 I361 L386 L397 A399 T400 S401 I407 V409 R433I326-L403 HydrophobicContact CD1-CD1 4.02Å; I326-L403 HydrophobicContact CG1-CD1 4.45Å; I326-L403 HydrophobicContact CG2-CD1 4.27Å; F328-L403 HydrophobicContact CE1-CB 3.77Å; F328-L403 HydrophobicContact CZ-CB 3.85Å; I361-L403 HydrophobicContact CD1-CD2 4.2Å; I361-L403 HydrophobicContact CG2-CD1 3.82Å; I361-L403 HydrophobicContact CG2-CD2 4.18Å; I361-L403 HydrophobicContact CG2-CG 3.76Å; L386-L403 HydrophobicContact CD2-CD2 4.02Å; L397-L403 HydrophobicContact CD1-CD1 4.12Å; A399-L403 HydrophobicContact CB-CB 4.21Å; A399-L403 HydrophobicContact CB-CD1 3.58Å; A399-L403 HydrophobicContact CB-CG 3.84Å; T400-L403 PolarHBondContact O-N 2.95Å; S401-L403 VanDerWaalsContact C-N 3.32Å; S401-L403 PolarHBondContact O-N 3.07Å; L403-I407 HydrophobicContact CD2-CB 4.28Å; L403-I407 HydrophobicContact CD2-CG2 4.18Å; L403-V409 HydrophobicContact CD2-CG1 4.07Å; L403-R433 PolarHBondContact O-NE 3.06Å
404E65.2Low77Confident9 Ų930.2 Ų30.24%0.04218%0.176CC..G310 helixtrans-75.6-40.4167.1-55.3179.2-163.900108.8F328 S401 I402 R417 S426 Q429 R433F328-E404 HydrophobicContact CD1-CG 3.96Å; F328-E404 HydrophobicContact CE1-CG 3.46Å; F328-E404 VanDerWaalsContact CE1-CG 3.46Å; F328-E404 HydrophobicContact CZ-CG 3.89Å; S401-E404 WeakPolarHBondContact O-CB 3.5Å; S401-E404 PolarHBondContact O-N 2.68Å; S401-E404 VanDerWaalsContact O-N 3.14Å; I402-E404 PolarHBondContact O-N 2.84Å; I402-E404 VanDerWaalsContact O-N 3.07Å; E404-R417 IonicContact OE1-CZ 3.98Å; E404-R417 IonicContact OE1-NH1 3.57Å; E404-R417 PolarHBondContact OE1-NH1 3.12Å; E404-R417 IonicContact OE1-NH2 3.07Å; E404-R417 PolarHBondContact OE1-NH2 3.35Å; E404-R417 IonicContact OE2-NH2 3.75Å; E404-R417 PolarHBondContact OE2-NH2 2.89Å; E404-S426 WeakPolarHBondContact OE2-CA 3.45Å; E404-S426 WeakPolarHBondContact OE2-CB 3.43Å; E404-S426 PolarHBondContact OE2-OG 3.16Å; E404-Q429 HydrophobicContact CB-CB 3.95Å; E404-Q429 WeakPolarHBondContact O-CB 3.26Å; E404-R433 PolarHBondContact O-NH2 3.38Å
405E61.4Low77.2Confident50 Ų5028.7 Ų28.723%0.23417%0.168CC..SBendtrans-115132.5-171-49.2-148.3108.600114.5G15 T16 I402 I407 Q429G15-E405 WeakPolarHBondContact CA-OE1 3.48Å; T16-E405 WeakPolarHBondContact CA-OE2 3.24Å; T16-E405 WeakPolarHBondContact CB-OE2 3.26Å; T16-E405 VanDerWaalsContact N-CD 3.31Å; T16-E405 PolarHBondContact N-OE1 3.16Å; T16-E405 VanDerWaalsContact N-OE1 3.1Å; T16-E405 PolarHBondContact N-OE2 3.47Å; T16-E405 PolarHBondContact OG1-OE2 2.78Å; I402-E405 PolarHBondContact O-N 1.92Å; E405-I407 PolarHBondContact O-N 3.11Å; E405-Q429 PolarHBondContact OE1-NE2 3.16Å
406G53.7Low77.3Confident56 Ų5627.5 Ų27.558%0.57716%0.162SC*.SBendtrans71.5-22.9158.800000119
407I60.5Low77.3Confident48 Ų4827.8 Ų27.825%0.24616%0.163CC..  trans-90.8129.3-179.4-56.8-162.5000111.3L386 I402 L403 E405 V409L386-I407 HydrophobicContact CD1-CD1 4.08Å; L386-I407 HydrophobicContact CD1-CG2 3.83Å; L386-I407 HydrophobicContact CD2-CG2 3.9Å; I402-I407 HydrophobicContact CG2-CD1 3.36Å; I402-I407 HydrophobicContact CG2-CG1 4.16Å; L403-I407 HydrophobicContact CD2-CB 4.28Å; L403-I407 HydrophobicContact CD2-CG2 4.18Å; E405-I407 PolarHBondContact O-N 3.11Å; I407-V409 HydrophobicContact CG2-CG1 4.37Å
408D59.6Low77.2Confident110 Ų11027.8 Ų27.859%0.58816%0.163SC*.  trans-81.3130.2171.8-169.631.9000112.1R390R390-D408 PolarHBondContact NE-O 2.81Å; R390-D408 PolarHBondContact NH2-O 3.18Å
409V67.5Low77Confident10 Ų1028.4 Ų28.46%0.06117%0.166CC..  trans-144.6145.4-174.3-84.40000109.6I326 L386 F389 L403 I407I326-V409 HydrophobicContact CD1-CG2 4.45Å; L386-V409 HydrophobicContact CD2-CG1 3.55Å; F389-V409 HydrophobicContact CD1-CG1 4.38Å; F389-V409 HydrophobicContact CE1-CB 4.42Å; L403-V409 HydrophobicContact CD2-CG1 4.07Å; I407-V409 HydrophobicContact CG2-CG1 4.37Å
410P67.1Low76.9Confident37 Ų3731.3 Ų31.324%0.2418%0.182CC..PPolyproline II helixtrans-59152-176.625.6-36.1000112.6F389 C412F389-P410 HydrophobicContact CD1-CG 3.62Å; F389-P410 HydrophobicContact CE1-CG 3.58Å; F389-P410 HydrophobicContact CZ-CG 4.44Å; P410-C412 PolarHBondContact O-N 3.15Å; P410-C412 PolarHBondContact O-SG 3.37Å; P410-C412 VanDerWaalsContact O-SG 3.37Å
411Q73.6Confident76.7Confident114 Ų11431.4 Ų31.453%0.53318%0.182SC..PPolyproline II helixtrans-56.7123.2179.3-61.5-171.96.500110.5R435 M436Q411-R435 HydrophobicContact CB-CB 3.8Å; Q411-R435 HydrophobicContact CG-CB 3.76Å; Q411-M436 HydrophobicContact CB-CG 4.11Å; Q411-M436 WeakPolarHBondContact O-CE 3.18Å
412C82.2Confident76.9Confident0 Ų032.2 Ų32.20%019%0.193CC..BIsolated β-bridgetrans-94149.2-179.4-63.90000111.5C324 I326 P410 V415 R433 R435 M436C324-C412 CarbonylContact O-C 3.58Å; C324-C412 VanDerWaalsContact O-CA 3.22Å; C324-C412 WeakPolarHBondContact O-CA 3.29Å; C324-C412 VanDerWaalsContact O-CB 3.26Å; C324-C412 WeakPolarHBondContact O-CB 3.27Å; I326-C412 VanDerWaalsContact CD1-SG 3.6Å; P410-C412 PolarHBondContact O-N 3.15Å; P410-C412 PolarHBondContact O-SG 3.37Å; P410-C412 VanDerWaalsContact O-SG 3.37Å; C412-V415 HydrophobicContact CB-CG2 4.34Å; C412-R433 WeakPolarHBondContact CB-O 3.33Å; C412-R433 PolarHBondContact N-O 2.84Å; C412-R435 PolarHBondContact O-N 3.16Å; C412-M436 PolarHBondContact O-N 3.08Å; C412-M436 VanDerWaalsContact O-N 3.17Å
413N87.1Confident77.2Confident22 Ų2232.7 Ų32.712%0.11820%0.2CC..SBendtrans-92-16.3169.277.1-23.4000112.9C324 M436 A439 Q440C324-N413 PolarHBondContact N-OD1 2.76Å; C324-N413 PolarHBondContact O-N 3.02Å; C324-N413 PolarHBondContact O-OD1 3.24Å; N413-M436 HydrophobicContact CB-CB 4.15Å; N413-M436 HydrophobicContact CB-CG 4.42Å; N413-M436 HydrophobicContact CB-SD 3.8Å; N413-A439 VanDerWaalsContact O-CA 3.25Å; N413-A439 WeakPolarHBondContact O-CA 3.35Å; N413-Q440 PolarHBondContact O-N 3.47Å
414V90.5Very high77.6Confident0 Ų034.2 Ų34.20%021%0.207CC..EExtended strand (participates in β ladder)trans-141.9138.1172.271.40000112.1Y310 F323 C324 G325 I326 I416 Q440 I442Y310-V414 HydrophobicContact CE1-CB 4.37Å; Y310-V414 HydrophobicContact CE2-CB 4.18Å; Y310-V414 HydrophobicContact CE2-CG2 3.92Å; Y310-V414 WeakPolarHBondContact OH-CB 3.39Å; Y310-V414 WeakPolarHBondContact OH-CG2 3.46Å; F323-V414 HydrophobicContact CE2-CG1 3.68Å; F323-V414 HydrophobicContact CZ-CG1 3.71Å; C324-V414 PolarHBondContact O-N 2.87Å; G325-V414 VanDerWaalsContact CA-O 3.27Å; G325-V414 WeakPolarHBondContact CA-O 3.44Å; I326-V414 PolarHBondContact N-O 3.34Å; I326-V414 VanDerWaalsContact N-O 3.11Å; V414-I416 HydrophobicContact CG2-CD1 4.26Å; V414-I416 HydrophobicContact CG2-CG1 3.78Å; V414-Q440 WeakPolarHBondContact CA-O 3.47Å; V414-I442 HydrophobicContact CG2-CD1 3.8Å; V414-I442 HydrophobicContact CG2-CG1 4.25Å
415V91.4Very high77.8Confident0 Ų035.1 Ų35.10%022%0.215CC..EExtended strand (participates in β ladder)trans-125.8125.4165.8174.20000108I326 F328 C412 R433 A434 Q440 Y441 I442I326-V415 CarbonylContact O-C 3.59Å; I326-V415 WeakPolarHBondContact O-CA 3.42Å; F328-V415 HydrophobicContact CD2-CG1 3.67Å; F328-V415 HydrophobicContact CE2-CG1 3.77Å; C412-V415 HydrophobicContact CB-CG2 4.34Å; V415-R433 HydrophobicContact CG2-CB 4Å; V415-A434 HydrophobicContact CB-CB 4.3Å; V415-A434 HydrophobicContact CG2-CB 3.84Å; V415-Q440 PolarHBondContact N-O 3.49Å; V415-Y441 HydrophobicContact CB-CD2 4.01Å; V415-Y441 HydrophobicContact CG1-CD2 3.84Å; V415-Y441 HydrophobicContact CG1-CE2 3.95Å; V415-Y441 CarbonylContact O-C 3.59Å; V415-Y441 WeakPolarHBondContact O-CA 3.48Å; V415-I442 PolarHBondContact O-N 2.81Å
416I94.2Very high78.6Confident0 Ų033.3 Ų33.30%021%0.207CC..EExtended strand (participates in β ladder)trans-115.3116-177.2-48-177.6000109.9L303 C306 L307 I326 I327 F328 V414 Y418 I442 I444L303-I416 HydrophobicContact CD1-CB 4.48Å; L303-I416 HydrophobicContact CD1-CD1 3.83Å; L303-I416 HydrophobicContact CD1-CG2 3.88Å; C306-I416 HydrophobicContact CB-CD1 4.43Å; L307-I416 HydrophobicContact CD2-CD1 4.2Å; I326-I416 PolarHBondContact O-N 3.27Å; I327-I416 CarbonylContact C-O 3.6Å; I327-I416 WeakPolarHBondContact CA-O 3.25Å; I327-I416 HydrophobicContact CG1-CB 4.22Å; I327-I416 HydrophobicContact CG1-CD1 4.36Å; F328-I416 PolarHBondContact N-O 3.46Å; V414-I416 HydrophobicContact CG2-CD1 4.26Å; V414-I416 HydrophobicContact CG2-CG1 3.78Å; I416-Y418 PolarHBondContact O-N 2.95Å; I416-I442 CarbonylContact C-O 3.47Å; I416-I442 WeakPolarHBondContact CA-O 3Å; I416-I442 HydrophobicContact CG1-CB 4.37Å; I416-I442 HydrophobicContact CG2-CB 4.39Å; I416-I442 HydrophobicContact CG2-CG2 4.45Å; I416-I444 HydrophobicContact CG2-CD1 3.76Å; I416-I444 HydrophobicContact CG2-CG1 4.03Å
417R92.4Very high79.9Confident6 Ų630.7 Ų30.72%0.02318%0.18CC..EExtended strand (participates in β ladder)trans-80109.2165.7-74.4-56.7-157.3163.5-3.2109.5E404 S426 S430 Y441 I442 V443 I444E404-R417 IonicContact OE1-CZ 3.98Å; E404-R417 IonicContact OE1-NH1 3.57Å; E404-R417 PolarHBondContact OE1-NH1 3.12Å; E404-R417 IonicContact OE1-NH2 3.07Å; E404-R417 PolarHBondContact OE1-NH2 3.35Å; E404-R417 IonicContact OE2-NH2 3.75Å; E404-R417 PolarHBondContact OE2-NH2 2.89Å; R417-S426 PolarHBondContact NH2-O 3.39Å; R417-S426 PolarHBondContact NH2-OG 3.39Å; R417-S430 PolarHBondContact NE-OG 3.05Å; R417-S430 PolarHBondContact NH2-OG 2.91Å; R417-Y441 HydrophobicContact CG-CE1 4.48Å; R417-Y441 HydrophobicContact CG-CE2 4.04Å; R417-Y441 WeakPolarHBondContact CG-OH 3.47Å; R417-Y441 PolarHBondContact NE-OH 3.43Å; R417-I442 PolarHBondContact N-O 3.2Å; R417-V443 HydrophobicContact CB-CB 4.31Å; R417-V443 HydrophobicContact CB-CG1 4.05Å; R417-V443 HydrophobicContact CB-CG2 4.13Å; R417-V443 HydrophobicContact CG-CG2 4.28Å; R417-I444 PolarHBondContact O-N 3.23Å
418Y92Very high80.6Confident1 Ų129.6 Ų29.60%0.00418%0.176CC..SBendtrans-88.6-34.1173.8174.1-86000112.1K226 R299 V300 L303 F328 V329 V334 L338 I416K226-Y418 PolarHBondContact O-OH 3.23Å; R299-Y418 HydrophobicContact CB-CE2 3.84Å; R299-Y418 VanDerWaalsContact NH1-CZ 3.33Å; R299-Y418 PolarHBondContact NH1-O 3.08Å; R299-Y418 PolarHBondContact NH1-OH 3.46Å; R299-Y418 PolarHBondContact NH2-OH 2.86Å; V300-Y418 HydrophobicContact CG2-CE2 3.84Å; L303-Y418 HydrophobicContact CD2-CD2 4.23Å; F328-Y418 PolarHBondContact O-N 3.24Å; V329-Y418 HydrophobicContact CG1-CD1 3.8Å; V329-Y418 HydrophobicContact CG1-CG 4.16Å; V334-Y418 HydrophobicContact CG1-CD1 4.49Å; V334-Y418 HydrophobicContact CG1-CE1 4.18Å; L338-Y418 HydrophobicContact CD1-CD1 4.41Å; L338-Y418 HydrophobicContact CD1-CD2 4.4Å; L338-Y418 HydrophobicContact CD1-CG 4.28Å; I416-Y418 PolarHBondContact O-N 2.95Å
419D88.6Confident81.3Confident13 Ų1325.8 Ų25.87%0.0715%0.154CC..SBendtrans-110.5151.8159.9-61.4-54.1000109.1K226 R299 T330K226-D419 IonicContact NZ-OD1 2.8Å; K226-D419 PolarHBondContact NZ-OD1 3.4Å; R299-D419 IonicContact NH1-OD1 2.66Å; R299-D419 PolarHBondContact NH1-OD1 3.16Å; R299-D419 VanDerWaalsContact NH1-OD1 3.15Å; T330-D419 HydrophobicContact CG2-CB 3.95Å; T330-D419 PolarHBondContact N-OD2 3.46Å; T330-D419 PolarHBondContact OG1-OD2 2.95Å
420L86.9Confident81.9Confident61 Ų6125.3 Ų25.332%0.31915%0.152SC..  trans-71.9147.1-173-58177.3000112.7A422 V443 I445 F453L420-A422 PolarHBondContact O-N 3.34Å; L420-V443 HydrophobicContact CD2-CG1 3.51Å; L420-I445 HydrophobicContact CD1-CD1 3.96Å; L420-I445 HydrophobicContact CD1-CG1 4.38Å; L420-I445 HydrophobicContact CD2-CB 4.3Å; L420-I445 HydrophobicContact CD2-CD1 3.96Å; L420-I445 HydrophobicContact CD2-CG1 4.18Å; L420-F453 HydrophobicContact CB-CD2 4.41Å; L420-F453 HydrophobicContact CB-CE2 4.28Å; L420-F453 HydrophobicContact CD1-CB 4.37Å; L420-F453 HydrophobicContact CD1-CD2 3.98Å; L420-F453 HydrophobicContact CD1-CG 4.22Å; L420-F453 HydrophobicContact CD2-CD1 4.32Å; L420-F453 HydrophobicContact CD2-CD2 4.14Å; L420-F453 HydrophobicContact CD2-CE1 4.34Å; L420-F453 HydrophobicContact CD2-CE2 4.17Å; L420-F453 HydrophobicContact CD2-CG 4.22Å; L420-F453 HydrophobicContact CD2-CZ 4.27Å; L420-F453 HydrophobicContact CG-CD2 4.41Å
421P83.3Confident82.5Confident7 Ų724.1 Ų24.15%0.04514%0.143CC..  trans-65.4118.2177.226.2-34000111.6S423 F427 F453 Y460P421-S423 VanDerWaalsContact C-N 3.31Å; P421-S423 PolarHBondContact O-N 3.5Å; P421-F427 HydrophobicContact CB-CB 4.01Å; P421-F427 HydrophobicContact CG-CB 4.23Å; P421-F427 HydrophobicContact CG-CD2 4.45Å; P421-F453 HydrophobicContact CG-CE2 3.94Å; P421-F453 HydrophobicContact CG-CZ 4.03Å; P421-Y460 HydrophobicContact CG-CE2 4.23Å
422A78.7Confident82.4Confident89 Ų8919.2 Ų19.274%0.73612%0.122SC*.SBendtrans-72.9-18.9-173.300000114.3L420L420-A422 PolarHBondContact O-N 3.34Å
423S77.4Confident82.2Confident53 Ų5319.6 Ų19.637%0.37112%0.124SC..SBendtrans-145.1166.3179.274.30000111.6P421 S426 F427 Y460P421-S423 VanDerWaalsContact C-N 3.31Å; P421-S423 PolarHBondContact O-N 3.5Å; S423-S426 WeakPolarHBondContact O-CB 3.26Å; S423-S426 PolarHBondContact O-N 3.16Å; S423-S426 VanDerWaalsContact OG-CB 3.3Å; S423-S426 WeakPolarHBondContact OG-CB 3.48Å; S423-S426 PolarHBondContact OG-N 2.56Å; S423-S426 VanDerWaalsContact OG-N 3.16Å; S423-F427 PolarHBondContact O-N 3.27Å; S423-Y460 WeakPolarHBondContact CA-OH 3.28Å; S423-Y460 PolarHBondContact O-OH 2.7Å
424F75.4Confident81.8Confident32 Ų3218.6 Ų18.614%0.1412%0.119CC..Hα-helixtrans-62.4-41.3174.7170.6-108.6000112.2S426 F427 V428 Y460 M463 E464 L467F424-S426 PolarHBondContact O-N 3.05Å; F424-F427 HydrophobicContact CD2-CD1 4.38Å; F424-F427 HydrophobicContact CE2-CD1 4.47Å; F424-F427 WeakPolarHBondContact O-CB 3.42Å; F424-F427 PolarHBondContact O-N 2.88Å; F424-V428 HydrophobicContact CD2-CG2 4.09Å; F424-V428 HydrophobicContact CE1-CG2 4.04Å; F424-V428 HydrophobicContact CE2-CG2 3.48Å; F424-V428 VanDerWaalsContact CE2-CG2 3.48Å; F424-V428 HydrophobicContact CZ-CG2 3.46Å; F424-V428 VanDerWaalsContact CZ-CG2 3.46Å; F424-V428 PolarHBondContact O-N 3.29Å; F424-Y460 HydrophobicContact CB-CD1 4.04Å; F424-Y460 HydrophobicContact CB-CE1 3.88Å; F424-Y460 HydrophobicContact CD2-CD1 4.05Å; F424-Y460 HydrophobicContact CD2-CG 4.15Å; F424-Y460 VanDerWaalsContact CE2-O 3.27Å; F424-Y460 WeakPolarHBondContact CE2-O 3.23Å; F424-Y460 PolarHBondContact N-OH 3.07Å; F424-M463 HydrophobicContact CB-CE 3.92Å; F424-M463 HydrophobicContact CD2-CB 4.07Å; F424-M463 HydrophobicContact CD2-CE 3.85Å; F424-M463 HydrophobicContact CE1-CB 4.47Å; F424-M463 HydrophobicContact CE2-CB 3.72Å; F424-M463 HydrophobicContact CG-CE 3.9Å; F424-M463 HydrophobicContact CZ-CB 3.93Å; F424-E464 HydrophobicContact CE2-CB 4.15Å; F424-E464 HydrophobicContact CZ-CB 4.35Å; F424-L467 HydrophobicContact CE1-CD1 3.43Å; F424-L467 VanDerWaalsContact CE1-CD1 3.43Å; F424-L467 HydrophobicContact CZ-CD1 3.69Å
425S70.8Confident80.8Confident29 Ų2921.2 Ų21.220%0.20313%0.128CC..Hα-helixtrans-58.9-48.7174.9-169.20000111.2F427 V428 Q429S425-F427 VanDerWaalsContact C-N 3.26Å; S425-F427 PolarHBondContact O-N 3.4Å; S425-V428 PolarHBondContact O-N 3.29Å; S425-V428 VanDerWaalsContact O-N 3.12Å; S425-Q429 VanDerWaalsContact O-CB 3.28Å; S425-Q429 WeakPolarHBondContact O-CB 3.05Å; S425-Q429 VanDerWaalsContact O-CG 3.29Å; S425-Q429 WeakPolarHBondContact O-CG 3.46Å; S425-Q429 PolarHBondContact O-N 3.36Å; S425-Q429 PolarHBondContact OG-NE2 3.43Å
426S77.9Confident79.8Confident12 Ų1223.2 Ų23.28%0.08414%0.138CC..Hα-helixtrans-57.4-37.1176.6-179.80000112.3E404 R417 S423 F424 S430E404-S426 WeakPolarHBondContact OE2-CA 3.45Å; E404-S426 WeakPolarHBondContact OE2-CB 3.43Å; E404-S426 PolarHBondContact OE2-OG 3.16Å; R417-S426 PolarHBondContact NH2-O 3.39Å; R417-S426 PolarHBondContact NH2-OG 3.39Å; S423-S426 WeakPolarHBondContact O-CB 3.26Å; S423-S426 PolarHBondContact O-N 3.16Å; S423-S426 VanDerWaalsContact OG-CB 3.3Å; S423-S426 WeakPolarHBondContact OG-CB 3.48Å; S423-S426 PolarHBondContact OG-N 2.56Å; S423-S426 VanDerWaalsContact OG-N 3.16Å; F424-S426 PolarHBondContact O-N 3.05Å; S426-S430 WeakPolarHBondContact O-CB 3.41Å; S426-S430 PolarHBondContact O-N 3.22Å; S426-S430 PolarHBondContact O-OG 3.41Å
427F81.9Confident78.5Confident0 Ų033.2 Ų33.20%018%0.176CC..Hα-helixtrans-64.2-56.2170.8167.4-103.1000112.2I164 P421 S423 F424 S425 Q429 S430 K431 Y441 L457 Y460 V461 E464I164-F427 HydrophobicContact CD1-CE2 4.49Å; I164-F427 HydrophobicContact CD1-CZ 4.1Å; P421-F427 HydrophobicContact CB-CB 4.01Å; P421-F427 HydrophobicContact CG-CB 4.23Å; P421-F427 HydrophobicContact CG-CD2 4.45Å; S423-F427 PolarHBondContact O-N 3.27Å; F424-F427 HydrophobicContact CD2-CD1 4.38Å; F424-F427 HydrophobicContact CE2-CD1 4.47Å; F424-F427 WeakPolarHBondContact O-CB 3.42Å; F424-F427 PolarHBondContact O-N 2.88Å; S425-F427 VanDerWaalsContact C-N 3.26Å; S425-F427 PolarHBondContact O-N 3.4Å; F427-Q429 PolarHBondContact O-N 2.8Å; F427-S430 PolarHBondContact O-N 2.96Å; F427-S430 PolarHBondContact O-OG 2.62Å; F427-K431 HydrophobicContact CE1-CD 4.2Å; F427-K431 HydrophobicContact CE2-CD 4.34Å; F427-K431 HydrophobicContact CZ-CD 3.86Å; F427-K431 WeakPolarHBondContact O-CB 3.29Å; F427-K431 PolarHBondContact O-N 3.16Å; F427-Y441 AromaticContact CD2-CE1 3.95Å; F427-Y441 HydrophobicContact CD2-CE1 3.95Å; F427-Y441 HydrophobicContact CE2-CD1 4.44Å; F427-Y441 AromaticContact CE2-CE1 3.78Å; F427-Y441 HydrophobicContact CE2-CE1 3.78Å; F427-L457 HydrophobicContact CD2-CD1 4.26Å; F427-L457 HydrophobicContact CE2-CD1 3.52Å; F427-L457 HydrophobicContact CZ-CD1 3.93Å; F427-Y460 HydrophobicContact CB-CD2 3.56Å; F427-Y460 HydrophobicContact CB-CE2 3.79Å; F427-Y460 HydrophobicContact CB-CG 4.44Å; F427-Y460 AromaticContact CD1-CD2 3.98Å; F427-Y460 HydrophobicContact CD1-CD2 3.98Å; F427-Y460 HydrophobicContact CD1-CG 4.22Å; F427-Y460 HydrophobicContact CD2-CD2 4.07Å; F427-Y460 AromaticContact CG-CD2 3.61Å; F427-Y460 HydrophobicContact CG-CD2 3.61Å; F427-Y460 HydrophobicContact CG-CE2 4.33Å; F427-Y460 HydrophobicContact CG-CG 4.3Å; F427-V461 HydrophobicContact CZ-CG2 4.33Å; F427-E464 WeakPolarHBondContact CE1-OE2 3.47Å
428V73.9Confident77.6Confident26 Ų2638 Ų3816%0.15820%0.202CC..Hα-helixtrans-61.1-45.5-177175.30000111.8L152 F424 S425 G432L152-V428 HydrophobicContact CD1-CG1 4.27Å; F424-V428 HydrophobicContact CD2-CG2 4.09Å; F424-V428 HydrophobicContact CE1-CG2 4.04Å; F424-V428 HydrophobicContact CE2-CG2 3.48Å; F424-V428 VanDerWaalsContact CE2-CG2 3.48Å; F424-V428 HydrophobicContact CZ-CG2 3.46Å; F424-V428 VanDerWaalsContact CZ-CG2 3.46Å; F424-V428 PolarHBondContact O-N 3.29Å; S425-V428 PolarHBondContact O-N 3.29Å; S425-V428 VanDerWaalsContact O-N 3.12Å; V428-G432 WeakPolarHBondContact O-CA 3.29Å; V428-G432 PolarHBondContact O-N 3.1Å
429Q73.8Confident77.1Confident30 Ų3038 Ų3814%0.1420%0.202CC..Hα-helixtrans-59.9-52.3179.1-75.8171-19.300112.2E404 E405 S425 F427 G432E404-Q429 HydrophobicContact CB-CB 3.95Å; E404-Q429 WeakPolarHBondContact O-CB 3.26Å; E405-Q429 PolarHBondContact OE1-NE2 3.16Å; S425-Q429 VanDerWaalsContact O-CB 3.28Å; S425-Q429 WeakPolarHBondContact O-CB 3.05Å; S425-Q429 VanDerWaalsContact O-CG 3.29Å; S425-Q429 WeakPolarHBondContact O-CG 3.46Å; S425-Q429 PolarHBondContact O-N 3.36Å; S425-Q429 PolarHBondContact OG-NE2 3.43Å; F427-Q429 PolarHBondContact O-N 2.8Å; Q429-G432 PolarHBondContact O-N 3.43Å
430S80.3Confident77.1Confident0 Ų038.8 Ų38.80%021%0.205CC..Hα-helixtrans-66.9-41.6179.760.70000112.7R417 S426 F427 G432 R433 Y441R417-S430 PolarHBondContact NE-OG 3.05Å; R417-S430 PolarHBondContact NH2-OG 2.91Å; S426-S430 WeakPolarHBondContact O-CB 3.41Å; S426-S430 PolarHBondContact O-N 3.22Å; S426-S430 PolarHBondContact O-OG 3.41Å; F427-S430 PolarHBondContact O-N 2.96Å; F427-S430 PolarHBondContact O-OG 2.62Å; S430-G432 VanDerWaalsContact C-N 3.25Å; S430-G432 PolarHBondContact O-N 3.12Å; S430-R433 PolarHBondContact O-N 3.39Å; S430-Y441 PolarHBondContact OG-OH 3.34Å; S430-Y441 VanDerWaalsContact OG-OH 3.13Å
431K80.4Confident77.3Confident12 Ų1235.9 Ų35.95%0.05219%0.19CC..Hα-helixtrans-58.1-40.9171.8-175.2-172.1-178.3-165.50111.2Y155 P162 F427 R433 A434 Y441 E464Y155-K431 WeakPolarHBondContact OH-CD 3.27Å; Y155-K431 WeakPolarHBondContact OH-CE 3.17Å; Y155-K431 PolarHBondContact OH-NZ 2.84Å; P162-K431 HydrophobicContact CG-CG 4.06Å; F427-K431 HydrophobicContact CE1-CD 4.2Å; F427-K431 HydrophobicContact CE2-CD 4.34Å; F427-K431 HydrophobicContact CZ-CD 3.86Å; F427-K431 WeakPolarHBondContact O-CB 3.29Å; F427-K431 PolarHBondContact O-N 3.16Å; K431-R433 PolarHBondContact O-N 3.11Å; K431-R433 VanDerWaalsContact O-N 3.08Å; K431-A434 PolarHBondContact O-N 2.81Å; K431-A434 VanDerWaalsContact O-N 3.09Å; K431-Y441 HydrophobicContact CB-CD2 4Å; K431-Y441 HydrophobicContact CB-CE2 4.02Å; K431-Y441 HydrophobicContact CB-CG 4.29Å; K431-Y441 HydrophobicContact CG-CD2 4.36Å; K431-Y441 HydrophobicContact CG-CG 4.21Å; K431-E464 IonicContact NZ-OE1 2.66Å; K431-E464 PolarHBondContact NZ-OE1 2.86Å; K431-E464 IonicContact NZ-OE2 2.72Å; K431-E464 PolarHBondContact NZ-OE2 3.1Å
432G71.9Confident77.8Confident10 Ų1035.5 Ų35.510%0.10319%0.188CC..THydrogen-bonded Turntrans-63.9-5.5177.800000115.7V428 Q429 S430 R435V428-G432 WeakPolarHBondContact O-CA 3.29Å; V428-G432 PolarHBondContact O-N 3.1Å; Q429-G432 PolarHBondContact O-N 3.43Å; S430-G432 VanDerWaalsContact C-N 3.25Å; S430-G432 PolarHBondContact O-N 3.12Å; G432-R435 WeakPolarHBondContact O-CG 3.34Å; G432-R435 VanDerWaalsContact O-CZ 3.29Å; G432-R435 PolarHBondContact O-NE 3.39Å; G432-R435 PolarHBondContact O-NH2 2.88Å
433R77Confident78.4Confident9 Ų931.3 Ų31.33%0.03415%0.153CC..THydrogen-bonded Turntrans-87.9-21.4170.9-57-62.8175.7-139-15.4113.2E151 I326 L403 E404 C412 V415 S430 K431 R435E151-R433 IonicContact OE1-NH1 2.69Å; E151-R433 PolarHBondContact OE1-NH1 3.28Å; I326-R433 HydrophobicContact CD1-CB 4.34Å; L403-R433 PolarHBondContact O-NE 3.06Å; E404-R433 PolarHBondContact O-NH2 3.38Å; C412-R433 WeakPolarHBondContact CB-O 3.33Å; C412-R433 PolarHBondContact N-O 2.84Å; V415-R433 HydrophobicContact CG2-CB 4Å; S430-R433 PolarHBondContact O-N 3.39Å; K431-R433 PolarHBondContact O-N 3.11Å; K431-R433 VanDerWaalsContact O-N 3.08Å; R433-R435 PolarHBondContact O-N 2.77Å
434A78.8Confident79.1Confident1 Ų128.9 Ų28.91%0.00814%0.136CC..BIsolated β-bridgetrans-79.394.6172.800000109.7P162 V415 K431 A439P162-A434 HydrophobicContact CB-CB 3.79Å; P162-A434 HydrophobicContact CG-CB 4.14Å; V415-A434 HydrophobicContact CB-CB 4.3Å; V415-A434 HydrophobicContact CG2-CB 3.84Å; K431-A434 PolarHBondContact O-N 2.81Å; K431-A434 VanDerWaalsContact O-N 3.09Å; A434-A439 HydrophobicContact CB-CB 4.07Å
435R70.7Confident79.9Confident55 Ų5527.5 Ų27.521%0.20813%0.13CC..  trans-121.5-17.5-168.7-69.9-176.4-174.4171.66.1115.4E151 Q411 C412 G432 R433E151-R435 IonicContact OE1-CZ 2.73Å; E151-R435 IonicContact OE1-NH1 3.14Å; E151-R435 IonicContact OE1-NH2 3.66Å; E151-R435 PolarHBondContact OE1-NH2 3.47Å; Q411-R435 HydrophobicContact CB-CB 3.8Å; Q411-R435 HydrophobicContact CG-CB 3.76Å; C412-R435 PolarHBondContact O-N 3.16Å; G432-R435 WeakPolarHBondContact O-CG 3.34Å; G432-R435 VanDerWaalsContact O-CZ 3.29Å; G432-R435 PolarHBondContact O-NE 3.39Å; G432-R435 PolarHBondContact O-NH2 2.88Å; R433-R435 PolarHBondContact O-N 2.77Å
436M69.3Low80.8Confident41 Ų4128.6 Ų28.620%0.20213%0.132CC..SBendtrans-65.8166177.7-73.7-165.6175.700112.1T160 A321 C324 Q411 C412 N413 D438 A439T160-M436 PolarHBondContact OG1-O 2.83Å; A321-M436 HydrophobicContact CB-SD 4.24Å; C324-M436 HydrophobicContact CB-CE 4.2Å; Q411-M436 HydrophobicContact CB-CG 4.11Å; Q411-M436 WeakPolarHBondContact O-CE 3.18Å; C412-M436 PolarHBondContact O-N 3.08Å; C412-M436 VanDerWaalsContact O-N 3.17Å; N413-M436 HydrophobicContact CB-CB 4.15Å; N413-M436 HydrophobicContact CB-CG 4.42Å; N413-M436 HydrophobicContact CB-SD 3.8Å; M436-D438 PolarHBondContact O-N 3.49Å; M436-A439 HydrophobicContact CB-CB 4.39Å; M436-A439 WeakPolarHBondContact O-CB 3.42Å; M436-A439 PolarHBondContact O-N 2.98Å
437R66.3Low81.2Confident211 Ų21133 Ų3380%0.79615%0.154SC*.THydrogen-bonded Turntrans-54.3135.1168.6-137.5-179.1-165.6177.72.5109.7A439R437-A439 PolarHBondContact O-N 2.89Å
438D74.7Confident81.4Confident107 Ų10737.4 Ų37.457%0.57219%0.185SC*.THydrogen-bonded Turntrans54.422.8179.8-58.8-70.2000115.4M436M436-D438 PolarHBondContact O-N 3.49Å
439A81.7Confident81.9Confident1 Ų137.7 Ų37.71%0.00819%0.19CC..  trans-61.8149.2179.500000112.6P162 Q163 N413 A434 M436 R437P162-A439 CarbonylContact C-O 3.53Å; P162-A439 WeakPolarHBondContact CA-O 3.49Å; P162-A439 HydrophobicContact CB-CB 4.41Å; P162-A439 VanDerWaalsContact CB-O 3.32Å; P162-A439 WeakPolarHBondContact CB-O 3.33Å; Q163-A439 PolarHBondContact N-O 3.42Å; N413-A439 VanDerWaalsContact O-CA 3.25Å; N413-A439 WeakPolarHBondContact O-CA 3.35Å; A434-A439 HydrophobicContact CB-CB 4.07Å; M436-A439 HydrophobicContact CB-CB 4.39Å; M436-A439 WeakPolarHBondContact O-CB 3.42Å; M436-A439 PolarHBondContact O-N 2.98Å; R437-A439 PolarHBondContact O-N 2.89Å
440Q88.9Confident82.4Confident28 Ų2837 Ų3713%0.13119%0.189CC..EExtended strand (participates in β ladder)trans-122135.5-172.3-53.5-177.825.900111.7Q163 K165 Y310 N413 V414 V415 I442Q163-Q440 HydrophobicContact CB-CG 4.49Å; Q163-Q440 WeakPolarHBondContact O-CA 3.47Å; K165-Q440 VanDerWaalsContact NZ-CD 3.28Å; Y310-Q440 VanDerWaalsContact OH-CD 3.27Å; N413-Q440 PolarHBondContact O-N 3.47Å; V414-Q440 WeakPolarHBondContact CA-O 3.47Å; V415-Q440 PolarHBondContact N-O 3.49Å; Q440-I442 HydrophobicContact CB-CG1 4.22Å
441Y90.8Very high82.5Confident0 Ų042.8 Ų42.80%022%0.22CC..EExtended strand (participates in β ladder)trans-108100171.9-178.6-100.7000108.6Q163 I164 K165 V415 R417 F427 S430 K431 V443Q163-Y441 PolarHBondContact O-N 3.09Å; I164-Y441 WeakPolarHBondContact CA-O 3.4Å; I164-Y441 HydrophobicContact CG1-CD1 4.39Å; I164-Y441 HydrophobicContact CG2-CD1 4.37Å; K165-Y441 PolarHBondContact N-O 3.42Å; V415-Y441 HydrophobicContact CB-CD2 4.01Å; V415-Y441 HydrophobicContact CG1-CD2 3.84Å; V415-Y441 HydrophobicContact CG1-CE2 3.95Å; V415-Y441 CarbonylContact O-C 3.59Å; V415-Y441 WeakPolarHBondContact O-CA 3.48Å; R417-Y441 HydrophobicContact CG-CE1 4.48Å; R417-Y441 HydrophobicContact CG-CE2 4.04Å; R417-Y441 WeakPolarHBondContact CG-OH 3.47Å; R417-Y441 PolarHBondContact NE-OH 3.43Å; F427-Y441 AromaticContact CD2-CE1 3.95Å; F427-Y441 HydrophobicContact CD2-CE1 3.95Å; F427-Y441 HydrophobicContact CE2-CD1 4.44Å; F427-Y441 AromaticContact CE2-CE1 3.78Å; F427-Y441 HydrophobicContact CE2-CE1 3.78Å; S430-Y441 PolarHBondContact OG-OH 3.34Å; S430-Y441 VanDerWaalsContact OG-OH 3.13Å; K431-Y441 HydrophobicContact CB-CD2 4Å; K431-Y441 HydrophobicContact CB-CE2 4.02Å; K431-Y441 HydrophobicContact CB-CG 4.29Å; K431-Y441 HydrophobicContact CG-CD2 4.36Å; K431-Y441 HydrophobicContact CG-CG 4.21Å; Y441-V443 HydrophobicContact CD1-CG2 4.09Å; Y441-V443 HydrophobicContact CE1-CG2 3.59Å
442I93Very high82.7Confident0 Ų047.3 Ų47.30%025%0.245CC..EExtended strand (participates in β ladder)trans-97.7128.5-173.3-54.5179.7000109.1K165 R167 V414 V415 I416 R417 Q440K165-I442 HydrophobicContact CB-CG1 4.46Å; K165-I442 CarbonylContact O-C 3.59Å; K165-I442 WeakPolarHBondContact O-CA 3.15Å; R167-I442 HydrophobicContact CB-CG2 4.49Å; R167-I442 HydrophobicContact CG-CG2 3.79Å; V414-I442 HydrophobicContact CG2-CD1 3.8Å; V414-I442 HydrophobicContact CG2-CG1 4.25Å; V415-I442 PolarHBondContact O-N 2.81Å; I416-I442 CarbonylContact C-O 3.47Å; I416-I442 WeakPolarHBondContact CA-O 3Å; I416-I442 HydrophobicContact CG1-CB 4.37Å; I416-I442 HydrophobicContact CG2-CB 4.39Å; I416-I442 HydrophobicContact CG2-CG2 4.45Å; R417-I442 PolarHBondContact N-O 3.2Å; Q440-I442 HydrophobicContact CB-CG1 4.22Å
443V92.3Very high83.2Confident0 Ų047.4 Ų47.40%024%0.242CC..EExtended strand (participates in β ladder)trans-113.7116.5172-172.90000109.7K165 R167 R417 L420 Y441 F453K165-V443 PolarHBondContact O-N 3.01Å; R167-V443 PolarHBondContact N-O 2.99Å; R417-V443 HydrophobicContact CB-CB 4.31Å; R417-V443 HydrophobicContact CB-CG1 4.05Å; R417-V443 HydrophobicContact CB-CG2 4.13Å; R417-V443 HydrophobicContact CG-CG2 4.28Å; L420-V443 HydrophobicContact CD2-CG1 3.51Å; Y441-V443 HydrophobicContact CD1-CG2 4.09Å; Y441-V443 HydrophobicContact CE1-CG2 3.59Å; V443-F453 HydrophobicContact CB-CE1 4.29Å; V443-F453 HydrophobicContact CG1-CE1 3.73Å; V443-F453 HydrophobicContact CG1-CZ 4Å; V443-F453 HydrophobicContact CG2-CE1 4.39Å
444I92.4Very high83.5Confident2 Ų249.3 Ų49.31%0.0126%0.256CS..EExtended strand (participates in β ladder)trans-86.3126.1174.3-56.1177.1000108.1R167 R299 E302 L303 I416 R417R167-I444 WeakPolarHBondContact O-CA 3.39Å; R299-I444 HydrophobicContact CB-CG2 4.22Å; R299-I444 HydrophobicContact CG-CG2 4.02Å; E302-I444 HydrophobicContact CB-CG2 4.38Å; E302-I444 HydrophobicContact CG-CG2 4.47Å; L303-I444 HydrophobicContact CB-CD1 3.72Å; L303-I444 HydrophobicContact CD1-CD1 3.99Å; L303-I444 HydrophobicContact CG-CD1 4.47Å; I416-I444 HydrophobicContact CG2-CD1 3.76Å; I416-I444 HydrophobicContact CG2-CG1 4.03Å; R417-I444 PolarHBondContact O-N 3.23Å
445I91.1Very high83.7Confident3 Ų355.7 Ų55.72%0.01528%0.284CS..EExtended strand (participates in β ladder)trans-136.7148.4-176.6-167.1159.5000112.1V166 R167 V168 C169 L420 A449 F453V166-I445 HydrophobicContact CG1-CG2 3.58Å; R167-I445 PolarHBondContact O-N 3.43Å; V168-I445 CarbonylContact C-O 3.58Å; V168-I445 WeakPolarHBondContact CA-O 2.96Å; V168-I445 HydrophobicContact CB-CG2 4.35Å; V168-I445 HydrophobicContact CG2-CG2 3.88Å; C169-I445 PolarHBondContact N-O 3.1Å; C169-I445 PolarHBondContact SG-O 3.44Å; L420-I445 HydrophobicContact CD1-CD1 3.96Å; L420-I445 HydrophobicContact CD1-CG1 4.38Å; L420-I445 HydrophobicContact CD2-CB 4.3Å; L420-I445 HydrophobicContact CD2-CD1 3.96Å; L420-I445 HydrophobicContact CD2-CG1 4.18Å; I445-A449 HydrophobicContact CD1-CB 4.09Å; I445-A449 HydrophobicContact CG1-CB 3.93Å; I445-F453 HydrophobicContact CD1-CB 3.22Å; I445-F453 HydrophobicContact CD1-CD1 3.69Å; I445-F453 HydrophobicContact CD1-CG 3.62Å
446Q89Confident84.3Confident52 Ų5254.6 Ų54.624%0.24328%0.284CS..EExtended strand (participates in β ladder)trans-83.7145175.5-54.8-176.6-64.600110.2D171 D172 R299 S448 A449 S450D171-Q446 WeakPolarHBondContact OD1-CB 3.27Å; D172-Q446 VanDerWaalsContact CB-NE2 3.33Å; D172-Q446 PolarHBondContact OD1-NE2 3Å; D172-Q446 VanDerWaalsContact OD1-NE2 3.09Å; D172-Q446 PolarHBondContact OD2-NE2 3.08Å; R299-Q446 HydrophobicContact CG-CG 3.91Å; Q446-S448 VanDerWaalsContact C-N 3.28Å; Q446-S448 PolarHBondContact O-N 3.25Å; Q446-A449 PolarHBondContact O-N 2.94Å; Q446-S450 PolarHBondContact O-N 3.07Å
447N87.1Confident85Confident104 Ų10453.6 Ų53.656%0.55628%0.279SS*.G310 helixtrans-52.1-44.3-176.1-165.552.3000112.9V168 C169 D171 A449 S450V168-N447 HydrophobicContact CG1-CB 4.22Å; C169-N447 PolarHBondContact O-N 3.41Å; D171-N447 PolarHBondContact OD1-N 3.31Å; N447-A449 PolarHBondContact O-N 3.26Å; N447-S450 WeakPolarHBondContact O-CB 3.16Å; N447-S450 PolarHBondContact O-N 3.38Å
448S86.1Confident85.8Confident94 Ų9450.5 Ų50.566%0.65727%0.271SS*.G310 helixtrans-62.8-21.1177.159.60000115.5D171 Q446D171-S448 WeakPolarHBondContact OD1-CB 3.36Å; D171-S448 PolarHBondContact OD1-N 3.08Å; D171-S448 PolarHBondContact OD1-OG 2.94Å; Q446-S448 VanDerWaalsContact C-N 3.28Å; Q446-S448 PolarHBondContact O-N 3.25Å
449A83.4Confident86.2Confident31 Ų3146.1 Ų46.126%0.25625%0.249SC..G310 helixtrans-98.6-14.218000000113.5I445 Q446 N447 D451 N452 F453I445-A449 HydrophobicContact CD1-CB 4.09Å; I445-A449 HydrophobicContact CG1-CB 3.93Å; Q446-A449 PolarHBondContact O-N 2.94Å; N447-A449 PolarHBondContact O-N 3.26Å; A449-D451 PolarHBondContact O-N 3.33Å; A449-N452 PolarHBondContact O-N 3.46Å; A449-F453 PolarHBondContact O-N 3.11Å; A449-F453 VanDerWaalsContact O-N 3.16Å
450S84.8Confident86.2Confident16 Ų1646.2 Ų46.211%0.11225%0.249CC..Hα-helixtrans-52.7-56.1-169.1-174.10000113.3Q446 N447 N452 F453 C454Q446-S450 PolarHBondContact O-N 3.07Å; N447-S450 WeakPolarHBondContact O-CB 3.16Å; N447-S450 PolarHBondContact O-N 3.38Å; S450-N452 VanDerWaalsContact C-N 3.29Å; S450-N452 PolarHBondContact O-N 2.9Å; S450-F453 PolarHBondContact O-N 3.03Å; S450-C454 WeakPolarHBondContact O-CB 3.36Å; S450-C454 PolarHBondContact O-N 2.83Å; S450-C454 PolarHBondContact O-SG 3.02Å; S450-C454 VanDerWaalsContact O-SG 3.37Å
451D82.2Confident85.8Confident122 Ų12247 Ų4765%0.65226%0.255SS*.Hα-helixtrans-65.1-29.2-172.3-69.5-17.7000114.3A449 K455A449-D451 PolarHBondContact O-N 3.33Å; D451-K455 WeakPolarHBondContact O-CD 3.4Å; D451-K455 VanDerWaalsContact O-CE 3.25Å; D451-K455 WeakPolarHBondContact O-CE 3.41Å; D451-K455 WeakPolarHBondContact O-CG 3.47Å
452N84.3Confident85.3Confident107 Ų10751 Ų5157%0.57227%0.274SS*.Hα-helixtrans-78-46.8176.7-75.5-20.9000110.5A449 S450 C454 K455 T456A449-N452 PolarHBondContact O-N 3.46Å; S450-N452 VanDerWaalsContact C-N 3.29Å; S450-N452 PolarHBondContact O-N 2.9Å; N452-C454 VanDerWaalsContact C-N 3.33Å; N452-C454 PolarHBondContact O-N 3.19Å; N452-K455 WeakPolarHBondContact O-CB 3.38Å; N452-K455 PolarHBondContact O-N 2.99Å; N452-K455 VanDerWaalsContact O-N 3.11Å; N452-T456 PolarHBondContact O-N 3.42Å; N452-T456 VanDerWaalsContact O-N 3.1Å; N452-T456 PolarHBondContact O-OG1 3.09Å
453F82.6Confident84.5Confident11 Ų1151.1 Ų51.15%0.04828%0.275CS..Hα-helixtrans-65.9-34.2178.2-174.6-104.9000112.8L420 P421 V443 I445 A449 S450 K455 T456 L457L420-F453 HydrophobicContact CB-CD2 4.41Å; L420-F453 HydrophobicContact CB-CE2 4.28Å; L420-F453 HydrophobicContact CD1-CB 4.37Å; L420-F453 HydrophobicContact CD1-CD2 3.98Å; L420-F453 HydrophobicContact CD1-CG 4.22Å; L420-F453 HydrophobicContact CD2-CD1 4.32Å; L420-F453 HydrophobicContact CD2-CD2 4.14Å; L420-F453 HydrophobicContact CD2-CE1 4.34Å; L420-F453 HydrophobicContact CD2-CE2 4.17Å; L420-F453 HydrophobicContact CD2-CG 4.22Å; L420-F453 HydrophobicContact CD2-CZ 4.27Å; L420-F453 HydrophobicContact CG-CD2 4.41Å; P421-F453 HydrophobicContact CG-CE2 3.94Å; P421-F453 HydrophobicContact CG-CZ 4.03Å; V443-F453 HydrophobicContact CB-CE1 4.29Å; V443-F453 HydrophobicContact CG1-CE1 3.73Å; V443-F453 HydrophobicContact CG1-CZ 4Å; V443-F453 HydrophobicContact CG2-CE1 4.39Å; I445-F453 HydrophobicContact CD1-CB 3.22Å; I445-F453 HydrophobicContact CD1-CD1 3.69Å; I445-F453 HydrophobicContact CD1-CG 3.62Å; A449-F453 PolarHBondContact O-N 3.11Å; A449-F453 VanDerWaalsContact O-N 3.16Å; S450-F453 PolarHBondContact O-N 3.03Å; F453-K455 PolarHBondContact O-N 2.83Å; F453-T456 PolarHBondContact O-N 3.02Å; F453-T456 VanDerWaalsContact O-N 3.17Å; F453-L457 HydrophobicContact CE1-CB 4.21Å; F453-L457 HydrophobicContact CE1-CD2 4.16Å; F453-L457 HydrophobicContact CZ-CB 4.45Å; F453-L457 HydrophobicContact CZ-CD1 4.5Å; F453-L457 VanDerWaalsContact O-CB 3.31Å; F453-L457 WeakPolarHBondContact O-CB 3.49Å; F453-L457 PolarHBondContact O-N 2.67Å
454C83.1Confident83.6Confident50 Ų5051.6 Ų51.634%0.33828%0.277SS..Hα-helixtrans-61.3-28173.7-75.30000113.1S450 N452 K458S450-C454 WeakPolarHBondContact O-CB 3.36Å; S450-C454 PolarHBondContact O-N 2.83Å; S450-C454 PolarHBondContact O-SG 3.02Å; S450-C454 VanDerWaalsContact O-SG 3.37Å; N452-C454 VanDerWaalsContact C-N 3.33Å; N452-C454 PolarHBondContact O-N 3.19Å; C454-K458 WeakPolarHBondContact O-CG 3.33Å; C454-K458 PolarHBondContact O-N 3.26Å
455K83.8Confident82.6Confident134 Ų13455.5 Ų55.558%0.58330%0.296SS*.Hα-helixtrans-76.5-45.9171.5-62.5161-167.1161.90110.9D451 N452 F453 L457 K458 S459D451-K455 WeakPolarHBondContact O-CD 3.4Å; D451-K455 VanDerWaalsContact O-CE 3.25Å; D451-K455 WeakPolarHBondContact O-CE 3.41Å; D451-K455 WeakPolarHBondContact O-CG 3.47Å; N452-K455 WeakPolarHBondContact O-CB 3.38Å; N452-K455 PolarHBondContact O-N 2.99Å; N452-K455 VanDerWaalsContact O-N 3.11Å; F453-K455 PolarHBondContact O-N 2.83Å; K455-L457 VanDerWaalsContact C-N 3.31Å; K455-L457 PolarHBondContact O-N 3.37Å; K455-K458 PolarHBondContact O-N 3.01Å; K455-S459 PolarHBondContact O-N 3.26Å; K455-S459 VanDerWaalsContact O-N 3.1Å
456T84.1Confident81.9Confident33 Ų3356.3 Ų56.320%0.20230%0.299CS..Hα-helixtrans-57.2-42.6175.2-560000112.3N452 F453 S459 Y460N452-T456 PolarHBondContact O-N 3.42Å; N452-T456 VanDerWaalsContact O-N 3.1Å; N452-T456 PolarHBondContact O-OG1 3.09Å; F453-T456 PolarHBondContact O-N 3.02Å; F453-T456 VanDerWaalsContact O-N 3.17Å; T456-S459 WeakPolarHBondContact O-CB 3.47Å; T456-S459 PolarHBondContact O-N 2.89Å; T456-Y460 HydrophobicContact CG2-CD1 4.21Å; T456-Y460 HydrophobicContact CG2-CD2 4.31Å; T456-Y460 HydrophobicContact CG2-CE1 3.81Å; T456-Y460 HydrophobicContact CG2-CE2 3.89Å; T456-Y460 HydrophobicContact CG2-CG 4.47Å; T456-Y460 WeakPolarHBondContact O-CD1 3.22Å; T456-Y460 PolarHBondContact O-N 3.08Å
457L83.9Confident80.9Confident20 Ų2054.7 Ų54.711%0.10529%0.292CS..Hα-helixtrans-67.2-35.9-179.8-177.162.2000112.3I164 V166 F427 F453 K455 Y460 V461I164-L457 HydrophobicContact CG2-CD2 4.2Å; V166-L457 HydrophobicContact CG2-CD2 3.83Å; F427-L457 HydrophobicContact CD2-CD1 4.26Å; F427-L457 HydrophobicContact CE2-CD1 3.52Å; F427-L457 HydrophobicContact CZ-CD1 3.93Å; F453-L457 HydrophobicContact CE1-CB 4.21Å; F453-L457 HydrophobicContact CE1-CD2 4.16Å; F453-L457 HydrophobicContact CZ-CB 4.45Å; F453-L457 HydrophobicContact CZ-CD1 4.5Å; F453-L457 VanDerWaalsContact O-CB 3.31Å; F453-L457 WeakPolarHBondContact O-CB 3.49Å; F453-L457 PolarHBondContact O-N 2.67Å; K455-L457 VanDerWaalsContact C-N 3.31Å; K455-L457 PolarHBondContact O-N 3.37Å; L457-Y460 PolarHBondContact O-N 2.92Å; L457-V461 WeakPolarHBondContact O-CG2 2.99Å; L457-V461 PolarHBondContact O-N 3.4Å
458K83.4Confident80Confident145 Ų14551.8 Ų51.863%0.6328%0.276SS*.Hα-helixtrans-63.4-50171.3-75.4-178.5177.5-171.40111.3C454 K455 Y460 V461 E462C454-K458 WeakPolarHBondContact O-CG 3.33Å; C454-K458 PolarHBondContact O-N 3.26Å; K455-K458 PolarHBondContact O-N 3.01Å; K458-Y460 VanDerWaalsContact C-N 3.27Å; K458-Y460 PolarHBondContact O-N 3.2Å; K458-V461 PolarHBondContact O-N 3.45Å; K458-V461 VanDerWaalsContact O-N 3.1Å; K458-E462 WeakPolarHBondContact O-CG 3.3Å; K458-E462 PolarHBondContact O-N 3.15Å
459S82.7Confident79Confident16 Ų1653 Ų5311%0.11227%0.266CS..Hα-helixtrans-53.8-42172.8153.60000112.1V126 K455 T456 M463V126-S459 PolarHBondContact O-OG 2.92Å; K455-S459 PolarHBondContact O-N 3.26Å; K455-S459 VanDerWaalsContact O-N 3.1Å; T456-S459 WeakPolarHBondContact O-CB 3.47Å; T456-S459 PolarHBondContact O-N 2.89Å; S459-M463 WeakPolarHBondContact O-CB 3.3Å; S459-M463 VanDerWaalsContact O-CG 3.29Å; S459-M463 WeakPolarHBondContact O-CG 3.49Å; S459-M463 PolarHBondContact O-N 3.41Å
460Y82.2Confident78.3Confident3 Ų352.7 Ų52.71%0.01226%0.26CS..Hα-helixtrans-65.5-42.5175.7-72.9-1.6000112.9H125 P421 S423 F424 F427 T456 L457 K458 M463 E464H125-Y460 AromaticContact CE1-CZ 3.99Å; H125-Y460 PolarHBondContact CE1-OH 3.38Å; H125-Y460 VanDerWaalsContact CE1-OH 3.3Å; H125-Y460 AromaticContact ND1-CE1 3.5Å; H125-Y460 WeakPolarHBondContact ND1-CE1 3.25Å; H125-Y460 AromaticContact ND1-CZ 3.91Å; P421-Y460 HydrophobicContact CG-CE2 4.23Å; S423-Y460 WeakPolarHBondContact CA-OH 3.28Å; S423-Y460 PolarHBondContact O-OH 2.7Å; F424-Y460 HydrophobicContact CB-CD1 4.04Å; F424-Y460 HydrophobicContact CB-CE1 3.88Å; F424-Y460 HydrophobicContact CD2-CD1 4.05Å; F424-Y460 HydrophobicContact CD2-CG 4.15Å; F424-Y460 VanDerWaalsContact CE2-O 3.27Å; F424-Y460 WeakPolarHBondContact CE2-O 3.23Å; F424-Y460 PolarHBondContact N-OH 3.07Å; F427-Y460 HydrophobicContact CB-CD2 3.56Å; F427-Y460 HydrophobicContact CB-CE2 3.79Å; F427-Y460 HydrophobicContact CB-CG 4.44Å; F427-Y460 AromaticContact CD1-CD2 3.98Å; F427-Y460 HydrophobicContact CD1-CD2 3.98Å; F427-Y460 HydrophobicContact CD1-CG 4.22Å; F427-Y460 HydrophobicContact CD2-CD2 4.07Å; F427-Y460 AromaticContact CG-CD2 3.61Å; F427-Y460 HydrophobicContact CG-CD2 3.61Å; F427-Y460 HydrophobicContact CG-CE2 4.33Å; F427-Y460 HydrophobicContact CG-CG 4.3Å; T456-Y460 HydrophobicContact CG2-CD1 4.21Å; T456-Y460 HydrophobicContact CG2-CD2 4.31Å; T456-Y460 HydrophobicContact CG2-CE1 3.81Å; T456-Y460 HydrophobicContact CG2-CE2 3.89Å; T456-Y460 HydrophobicContact CG2-CG 4.47Å; T456-Y460 WeakPolarHBondContact O-CD1 3.22Å; T456-Y460 PolarHBondContact O-N 3.08Å; L457-Y460 PolarHBondContact O-N 2.92Å; K458-Y460 VanDerWaalsContact C-N 3.27Å; K458-Y460 PolarHBondContact O-N 3.2Å; Y460-M463 HydrophobicContact CD1-CE 3.56Å; Y460-M463 HydrophobicContact CE1-CE 4.11Å; Y460-M463 PolarHBondContact O-N 2.96Å; Y460-E464 WeakPolarHBondContact O-CB 3.48Å; Y460-E464 PolarHBondContact O-N 3.37Å
461V79.3Confident77Confident43 Ų4353.5 Ų53.526%0.26126%0.261SS..Hα-helixtrans-68.4-40.5176.71730000111.4I164 F427 L457 K458 M463 E464 E465I164-V461 HydrophobicContact CD1-CG2 4.19Å; F427-V461 HydrophobicContact CZ-CG2 4.33Å; L457-V461 WeakPolarHBondContact O-CG2 2.99Å; L457-V461 PolarHBondContact O-N 3.4Å; K458-V461 PolarHBondContact O-N 3.45Å; K458-V461 VanDerWaalsContact O-N 3.1Å; V461-M463 VanDerWaalsContact C-N 3.32Å; V461-M463 PolarHBondContact O-N 2.92Å; V461-E464 PolarHBondContact O-N 3.45Å; V461-E465 WeakPolarHBondContact O-CG 3.37Å; V461-E465 PolarHBondContact O-N 2.75Å
462E80.5Confident75.5Confident84 Ų8450 Ų5039%0.39325%0.246SC..Hα-helixtrans-59.2-41.5173.5-72167-149.700112.2K458 E466K458-E462 WeakPolarHBondContact O-CG 3.3Å; K458-E462 PolarHBondContact O-N 3.15Å; E462-E466 WeakPolarHBondContact O-CB 3.33Å; E462-E466 PolarHBondContact O-N 3.36Å
463M75.5Confident73.9Confident4 Ų450.6 Ų50.62%0.0225%0.246CC..Hα-helixtrans-69.7-38175.9-75.8-168.4-68.600112.8V126 L131 F424 S459 Y460 V461 L467V126-M463 HydrophobicContact CG2-CG 4.33Å; V126-M463 HydrophobicContact CG2-SD 3.42Å; V126-M463 WeakPolarHBondContact CG2-SD 3.45Å; L131-M463 HydrophobicContact CB-CG 4.16Å; L131-M463 HydrophobicContact CD2-CB 3.6Å; L131-M463 HydrophobicContact CD2-CG 3.6Å; L131-M463 HydrophobicContact CD2-SD 4.16Å; L131-M463 HydrophobicContact CG-CG 4.5Å; F424-M463 HydrophobicContact CB-CE 3.92Å; F424-M463 HydrophobicContact CD2-CB 4.07Å; F424-M463 HydrophobicContact CD2-CE 3.85Å; F424-M463 HydrophobicContact CE1-CB 4.47Å; F424-M463 HydrophobicContact CE2-CB 3.72Å; F424-M463 HydrophobicContact CG-CE 3.9Å; F424-M463 HydrophobicContact CZ-CB 3.93Å; S459-M463 WeakPolarHBondContact O-CB 3.3Å; S459-M463 VanDerWaalsContact O-CG 3.29Å; S459-M463 WeakPolarHBondContact O-CG 3.49Å; S459-M463 PolarHBondContact O-N 3.41Å; Y460-M463 HydrophobicContact CD1-CE 3.56Å; Y460-M463 HydrophobicContact CE1-CE 4.11Å; Y460-M463 PolarHBondContact O-N 2.96Å; V461-M463 VanDerWaalsContact C-N 3.32Å; V461-M463 PolarHBondContact O-N 2.92Å; M463-L467 WeakPolarHBondContact O-CB 3.35Å; M463-L467 PolarHBondContact O-N 2.75Å
464E73.2Confident72.2Confident9 Ų952.7 Ų52.74%0.04227%0.266CS..Hα-helixtrans-62.9-44.6174.3-171.8-175165.400111.2Y155 F424 F427 K431 Y460 V461 I468Y155-E464 WeakPolarHBondContact CE1-OE1 3.43Å; Y155-E464 PolarHBondContact OH-OE1 3.11Å; F424-E464 HydrophobicContact CE2-CB 4.15Å; F424-E464 HydrophobicContact CZ-CB 4.35Å; F427-E464 WeakPolarHBondContact CE1-OE2 3.47Å; K431-E464 IonicContact NZ-OE1 2.66Å; K431-E464 PolarHBondContact NZ-OE1 2.86Å; K431-E464 IonicContact NZ-OE2 2.72Å; K431-E464 PolarHBondContact NZ-OE2 3.1Å; Y460-E464 WeakPolarHBondContact O-CB 3.48Å; Y460-E464 PolarHBondContact O-N 3.37Å; V461-E464 PolarHBondContact O-N 3.45Å; E464-I468 HydrophobicContact CG-CD1 4.36Å; E464-I468 WeakPolarHBondContact O-CD1 3.33Å; E464-I468 VanDerWaalsContact O-CG1 3.28Å; E464-I468 WeakPolarHBondContact O-CG1 2.93Å; E464-I468 PolarHBondContact O-N 2.96Å
465E73.3Confident70.3Confident85 Ų8554.1 Ų54.140%0.39727%0.273SS..Hα-helixtrans-66.7-42.8176.8-73-170.5177.400112.9V461 I468 R469V461-E465 WeakPolarHBondContact O-CG 3.37Å; V461-E465 PolarHBondContact O-N 2.75Å; E465-I468 PolarHBondContact O-N 2.92Å; E465-R469 WeakPolarHBondContact O-CG 3.32Å; E465-R469 PolarHBondContact O-N 2.8Å; E465-R469 IonicContact OE2-NH2 2.7Å; E465-R469 PolarHBondContact OE2-NH2 2.69Å
466E74.6Confident68Low19 Ų1950.6 Ų50.69%0.08926%0.258CS..Hα-helixtrans-70.5-34.5-179.1-165.260.3-153.700112.2K132 E462 I468 R469 H470K132-E466 HydrophobicContact CB-CG 4.06Å; K132-E466 VanDerWaalsContact CD-OE1 3.25Å; K132-E466 WeakPolarHBondContact CD-OE1 3.37Å; K132-E466 WeakPolarHBondContact CE-OE1 3.47Å; K132-E466 HydrophobicContact CG-CG 4.4Å; K132-E466 IonicContact NZ-OE1 3.29Å; K132-E466 PolarHBondContact NZ-OE1 3.47Å; E462-E466 WeakPolarHBondContact O-CB 3.33Å; E462-E466 PolarHBondContact O-N 3.36Å; E466-I468 VanDerWaalsContact C-N 3.33Å; E466-I468 PolarHBondContact O-N 3.11Å; E466-R469 PolarHBondContact O-N 2.93Å; E466-R469 WeakPolarHBondContact OE2-CD 3.29Å; E466-R469 IonicContact OE2-CZ 2.63Å; E466-R469 IonicContact OE2-NH1 3.29Å; E466-R469 PolarHBondContact OE2-NH1 3.26Å; E466-H470 VanDerWaalsContact O-CB 3.3Å; E466-H470 WeakPolarHBondContact O-CB 3.38Å; E466-H470 PolarHBondContact O-N 3.25Å
467L69.9Low65.5Low18 Ų1853.7 Ų53.79%0.09429%0.287CS..Hα-helixtrans-60.9-41.4170.4-89.9158000112.1L131 M135 T148 F424 M463 H470 Q471L131-L467 HydrophobicContact CD2-CD1 3.94Å; L131-L467 HydrophobicContact CD2-CG 3.96Å; M135-L467 HydrophobicContact CE-CD2 3.79Å; M135-L467 HydrophobicContact SD-CD2 3.76Å; M135-L467 HydrophobicContact SD-CG 4.26Å; T148-L467 HydrophobicContact CG2-CD2 4.31Å; F424-L467 HydrophobicContact CE1-CD1 3.43Å; F424-L467 VanDerWaalsContact CE1-CD1 3.43Å; F424-L467 HydrophobicContact CZ-CD1 3.69Å; M463-L467 WeakPolarHBondContact O-CB 3.35Å; M463-L467 PolarHBondContact O-N 2.75Å; L467-H470 PolarHBondContact O-N 3.32Å; L467-Q471 PolarHBondContact O-N 3.16Å
468I66.4Low63.3Low44 Ų4458.6 Ų58.623%0.22631%0.305CS..Hα-helixtrans-65.7-44175.7-67.1165.7000110.5L152 E464 E465 E466 H470 Q471 S472L152-I468 HydrophobicContact CD2-CG1 4.3Å; E464-I468 HydrophobicContact CG-CD1 4.36Å; E464-I468 WeakPolarHBondContact O-CD1 3.33Å; E464-I468 VanDerWaalsContact O-CG1 3.28Å; E464-I468 WeakPolarHBondContact O-CG1 2.93Å; E464-I468 PolarHBondContact O-N 2.96Å; E465-I468 PolarHBondContact O-N 2.92Å; E466-I468 VanDerWaalsContact C-N 3.33Å; E466-I468 PolarHBondContact O-N 3.11Å; I468-H470 PolarHBondContact O-N 3.43Å; I468-Q471 PolarHBondContact O-N 3.34Å; I468-S472 PolarHBondContact O-N 2.83Å; I468-S472 VanDerWaalsContact O-N 3.08Å
469R66.9Low61Low118 Ų11855 Ų5545%0.44529%0.29SS..Hα-helixtrans-59.2-45.5173.7-71.6-172.4-163.4110.914.2111.9E465 E466 Q471 S472 E473E465-R469 WeakPolarHBondContact O-CG 3.32Å; E465-R469 PolarHBondContact O-N 2.8Å; E465-R469 IonicContact OE2-NH2 2.7Å; E465-R469 PolarHBondContact OE2-NH2 2.69Å; E466-R469 PolarHBondContact O-N 2.93Å; E466-R469 WeakPolarHBondContact OE2-CD 3.29Å; E466-R469 IonicContact OE2-CZ 2.63Å; E466-R469 IonicContact OE2-NH1 3.29Å; E466-R469 PolarHBondContact OE2-NH1 3.26Å; R469-Q471 VanDerWaalsContact C-N 3.27Å; R469-Q471 PolarHBondContact O-N 2.91Å; R469-S472 CarbonylContact O-C 3.22Å; R469-S472 WeakPolarHBondContact O-CA 3.33Å; R469-S472 WeakPolarHBondContact O-CB 3.47Å; R469-S472 PolarHBondContact O-N 2.91Å; R469-E473 WeakPolarHBondContact O-CG 3.32Å; R469-E473 PolarHBondContact O-N 3.43Å
470H67.8Low58.6Low26 Ų2662.2 Ų62.212%0.1233%0.326CS..Hα-helixtrans-68-28.2-177-150.6-40.2000111.9M135 E139 E466 L467 I468 A474M135-H470 HydrophobicContact CE-CB 3.84Å; M135-H470 VanDerWaalsContact CE-CD2 3.48Å; M135-H470 WeakPolarHBondContact CE-CD2 3.31Å; E139-H470 IonicContact OE2-CE1 2.66Å; E466-H470 VanDerWaalsContact O-CB 3.3Å; E466-H470 WeakPolarHBondContact O-CB 3.38Å; E466-H470 PolarHBondContact O-N 3.25Å; L467-H470 PolarHBondContact O-N 3.32Å; I468-H470 PolarHBondContact O-N 3.43Å; H470-A474 VanDerWaalsContact O-CB 3.25Å; H470-A474 WeakPolarHBondContact O-CB 3.44Å; H470-A474 PolarHBondContact O-N 3.33Å; H470-A474 VanDerWaalsContact O-N 3.16Å
471Q57.9Low56.2Low32 Ų3266.3 Ų66.315%0.1536%0.361CS..Hα-helixtrans-66.3-47.4165.8-76.2-169.1-106.600112.1T148 L467 I468 R469 A474 T475T148-Q471 WeakPolarHBondContact OG1-CG 2.92Å; T148-Q471 PolarHBondContact OG1-NE2 2.97Å; T148-Q471 PolarHBondContact OG1-OE1 3.47Å; L467-Q471 PolarHBondContact O-N 3.16Å; I468-Q471 PolarHBondContact O-N 3.34Å; R469-Q471 VanDerWaalsContact C-N 3.27Å; R469-Q471 PolarHBondContact O-N 2.91Å; Q471-A474 PolarHBondContact O-N 3.19Å; Q471-T475 WeakPolarHBondContact O-CB 3.5Å; Q471-T475 PolarHBondContact O-N 2.82Å; Q471-T475 PolarHBondContact O-OG1 3.43Å
472S50.5Low54.4Low48 Ų4873.9 Ų73.934%0.33639%0.386SS..Hα-helixtrans-59.3-51.6175.8-74.90000111.4I468 R469 A474 T475 E476I468-S472 PolarHBondContact O-N 2.83Å; I468-S472 VanDerWaalsContact O-N 3.08Å; R469-S472 CarbonylContact O-C 3.22Å; R469-S472 WeakPolarHBondContact O-CA 3.33Å; R469-S472 WeakPolarHBondContact O-CB 3.47Å; R469-S472 PolarHBondContact O-N 2.91Å; S472-A474 PolarHBondContact O-N 3.31Å; S472-A474 VanDerWaalsContact O-N 3.16Å; S472-T475 CarbonylContact O-C 3.45Å; S472-T475 PolarHBondContact O-N 3.13Å; S472-E476 VanDerWaalsContact O-CB 3.3Å; S472-E476 WeakPolarHBondContact O-CB 3.24Å; S472-E476 PolarHBondContact O-N 2.76Å; S472-E476 PolarHBondContact OG-OE1 2.9Å
473E50.3Low52.4Low120 Ų12077 Ų7756%0.56140%0.401SS*.Hα-helixtrans-58.5-29.1178.2-69.8173.2178.400113.3K132 R469K132-E473 IonicContact NZ-OE1 3.23Å; K132-E473 PolarHBondContact NZ-OE1 2.93Å; K132-E473 IonicContact NZ-OE2 2.71Å; K132-E473 PolarHBondContact NZ-OE2 3.21Å; R469-E473 WeakPolarHBondContact O-CG 3.32Å; R469-E473 PolarHBondContact O-N 3.43Å
474A47.7Very low51.1Low56 Ų5683.3 Ų83.346%0.46344%0.435SS..Hα-helixtrans-88.9-10.4175.300000114.7H470 Q471 S472H470-A474 VanDerWaalsContact O-CB 3.25Å; H470-A474 WeakPolarHBondContact O-CB 3.44Å; H470-A474 PolarHBondContact O-N 3.33Å; H470-A474 VanDerWaalsContact O-N 3.16Å; Q471-A474 PolarHBondContact O-N 3.19Å; S472-A474 PolarHBondContact O-N 3.31Å; S472-A474 VanDerWaalsContact O-N 3.16Å
475T41.8Very low49.9Very low80 Ų8087.1 Ų87.149%0.49146%0.463SS..Hα-helixtrans-114.6-18-175.5-50.80000112.7Q471 S472Q471-T475 WeakPolarHBondContact O-CB 3.5Å; Q471-T475 PolarHBondContact O-N 2.82Å; Q471-T475 PolarHBondContact O-OG1 3.43Å; S472-T475 CarbonylContact O-C 3.45Å; S472-T475 PolarHBondContact O-N 3.13Å
476E36.3Very low49.2Very low59 Ų5986.4 Ų86.428%0.27646%0.464SS..  trans-131.3128-165.2-71.3178.6-130.200115.4S472 E479S472-E476 VanDerWaalsContact O-CB 3.3Å; S472-E476 WeakPolarHBondContact O-CB 3.24Å; S472-E476 PolarHBondContact O-N 2.76Å; S472-E476 PolarHBondContact OG-OE1 2.9Å; E476-E479 HydrophobicContact CG-CB 4.3Å; E476-E479 HydrophobicContact CG-CG 4.37Å; E476-E479 WeakPolarHBondContact OE2-CA 3.42Å; E476-E479 WeakPolarHBondContact OE2-CB 3.3Å; E476-E479 PolarHBondContact OE2-N 3.33Å
477A32.3Very low48.9Very low98 Ų9886.5 Ų86.581%0.8147%0.466SS*.SBend-10422.312700000111
478W37.1Very low49Very low124 Ų12488.1 Ų88.147%0.4748%0.475SS..SBendtrans-136.3-9.4-145.5-70.4-16.4000120.7Y553 Q577W478-Y553 AromaticContact CH2-CE1 3.92Å; W478-Y553 HydrophobicContact CH2-CE1 3.92Å; W478-Y553 AromaticContact CH2-CZ 3.93Å; W478-Y553 HydrophobicContact CZ2-CE1 4.25Å; W478-Y553 AromaticContact CZ2-CZ 3.78Å; W478-Y553 WeakPolarHBondContact CZ2-OH 3.45Å; W478-Q577 HydrophobicContact CZ3-CG 4Å
479E35.2Very low49.4Very low69 Ų6990.8 Ų90.832%0.32250%0.497SS..  trans-125.223.8177.2-55.4-156.374.600115.9K157 E476 K578K157-E479 IonicContact NZ-OE1 3.94Å; K157-E479 IonicContact NZ-OE2 3.62Å; K157-E479 PolarHBondContact NZ-OE2 3.49Å; E476-E479 HydrophobicContact CG-CB 4.3Å; E476-E479 HydrophobicContact CG-CG 4.37Å; E476-E479 WeakPolarHBondContact OE2-CA 3.42Å; E476-E479 WeakPolarHBondContact OE2-CB 3.3Å; E476-E479 PolarHBondContact OE2-N 3.33Å; E479-K578 WeakPolarHBondContact OE1-CD 3.42Å; E479-K578 WeakPolarHBondContact OE1-CE 3.44Å; E479-K578 IonicContact OE1-NZ 3.71Å; E479-K578 PolarHBondContact OE1-NZ 2.84Å
480L31.7Very low50Low167 Ų16789.6 Ų89.687%0.87450%0.499SS*.SBendtrans-92.5124.6167.6-93.5169.4000113.2
481A32.8Very low50.6Low90 Ų9090.2 Ų90.274%0.74450%0.503SS*.  trans55.986.8166.600000117.9
482Y40.9Very low51.7Low201 Ų20194.1 Ų94.179%0.78853%0.531SS*.  trans-133.2136.4147-108-90.3000109.6
483E39.3Very low53.3Low150 Ų15093.1 Ų93.170%0.70153%0.526SS*.  trans-73.7135173.5-63.7-173.1159.300110.4S485E483-S485 VanDerWaalsContact CB-OG 3.28Å; E483-S485 WeakPolarHBondContact CB-OG 3.26Å; E483-S485 PolarHBondContact O-N 3.27Å; E483-S485 PolarHBondContact OE2-OG 3.12Å
484N47.8Very low55Low136 Ų13689.1 Ų89.173%0.72751%0.506SS*.G310 helixtrans-60.7-14.6178.7-69.1-28.7000113.5T486N484-T486 PolarHBondContact O-N 2.79Å
485S47.2Very low56.7Low90 Ų9092.8 Ų92.863%0.62951%0.508SS*.G310 helixtrans-60-21.6-178.353.10000115.1E483E483-S485 VanDerWaalsContact CB-OG 3.28Å; E483-S485 WeakPolarHBondContact CB-OG 3.26Å; E483-S485 PolarHBondContact O-N 3.27Å; E483-S485 PolarHBondContact OE2-OG 3.12Å
486T58.8Low58.4Low70 Ų7089.3 Ų89.343%0.42949%0.489SS..G310 helixtrans-120.6-0.2-172.653.10000114.9N484 S489N484-T486 PolarHBondContact O-N 2.79Å; T486-S489 PolarHBondContact O-OG 3.08Å; T486-S489 VanDerWaalsContact O-OG 3.08Å
487V68.9Low60.3Low20 Ų2089 Ų8912%0.12149%0.492CS..G310 helixtrans-72.1-38.7-178.2175.60000111.8S489 L490 L513 L579V487-S489 VanDerWaalsContact C-N 3.27Å; V487-S489 PolarHBondContact O-N 3.14Å; V487-L490 WeakPolarHBondContact O-CB 3.49Å; V487-L490 WeakPolarHBondContact O-CG 3.2Å; V487-L490 PolarHBondContact O-N 2.68Å; V487-L513 HydrophobicContact CG1-CB 4.49Å; V487-L513 HydrophobicContact CG1-CD2 4.04Å; V487-L513 HydrophobicContact CG1-CG 4.36Å; V487-L579 HydrophobicContact CG1-CD2 3.74Å
488D70.5Confident62.2Low53 Ų5387.3 Ų87.328%0.28347%0.472SS..G310 helixtrans-80.40.5-172.3-73.5-31.2000114.8T512 L513 S514D488-T512 VanDerWaalsContact CG-OG1 3.32Å; D488-T512 VanDerWaalsContact OD1-CB 3.31Å; D488-T512 WeakPolarHBondContact OD1-CB 3.43Å; D488-T512 PolarHBondContact OD1-OG1 2.86Å; D488-T512 WeakPolarHBondContact OD2-CB 3.41Å; D488-T512 PolarHBondContact OD2-OG1 3.3Å; D488-L513 WeakPolarHBondContact OD1-CA 3.38Å; D488-L513 VanDerWaalsContact OD1-CB 3.29Å; D488-L513 WeakPolarHBondContact OD1-CB 3.2Å; D488-L513 PolarHBondContact OD1-N 2.96Å; D488-S514 PolarHBondContact OD1-N 3Å; D488-S514 PolarHBondContact OD1-OG 3.37Å; D488-S514 WeakPolarHBondContact OD2-CB 3.47Å; D488-S514 PolarHBondContact OD2-OG 3.19Å
489S75.3Confident63.5Low100 Ų10083.3 Ų83.370%0.69946%0.462SS*.G310 helixtrans-91.7-11.8169.761.40000113.6T486 V487T486-S489 PolarHBondContact O-OG 3.08Å; T486-S489 VanDerWaalsContact O-OG 3.08Å; V487-S489 VanDerWaalsContact C-N 3.27Å; V487-S489 PolarHBondContact O-N 3.14Å
490L80Confident64.6Low92 Ų9285.6 Ų85.648%0.48248%0.476SS..SBendtrans-71.5-29.1-177.9-62.4175.2000113.2V487 L513 M574 L579V487-L490 WeakPolarHBondContact O-CB 3.49Å; V487-L490 WeakPolarHBondContact O-CG 3.2Å; V487-L490 PolarHBondContact O-N 2.68Å; L490-L513 HydrophobicContact CB-CD2 4.17Å; L490-M574 HydrophobicContact CB-CE 4.12Å; L490-M574 HydrophobicContact CD1-CE 4.3Å; L490-L579 HydrophobicContact CD1-CD1 3.78Å; L490-L579 HydrophobicContact CD1-CD2 3.9Å; L490-L579 HydrophobicContact CD1-CG 4.5Å
491L79.6Confident65.9Low39 Ų3978.7 Ų78.720%0.20445%0.446CS..SBendtrans-141.5138.2176.4-76.2170.6000109.4A493 L513 P572 M574 A583 L586L491-A493 PolarHBondContact O-N 3.22Å; L491-L513 HydrophobicContact CB-CD1 4.46Å; L491-L513 HydrophobicContact CB-CD2 4.49Å; L491-L513 HydrophobicContact CD1-CD1 3.8Å; L491-L513 HydrophobicContact CD1-CD2 4.38Å; L491-P572 HydrophobicContact CD1-CG 3.91Å; L491-P572 HydrophobicContact CD2-CG 4.14Å; L491-M574 HydrophobicContact CD1-CE 4.02Å; L491-M574 HydrophobicContact CD1-SD 3.93Å; L491-M574 HydrophobicContact CG-CE 4.33Å; L491-M574 HydrophobicContact CG-SD 4.42Å; L491-A583 HydrophobicContact CD1-CB 3.43Å; L491-A583 VanDerWaalsContact CD1-CB 3.43Å; L491-L586 HydrophobicContact CB-CD2 4.29Å
492P82.6Confident66.9Low115 Ų11583.3 Ų83.375%0.74746%0.457SS*.PPolyproline II helixtrans-64.4129.7-177.926.5-34.3000111.2
493A83.7Confident67.5Low26 Ų2681 Ų8122%0.21546%0.458CS..PPolyproline II helixtrans-59150.1175.900000111.9L491 Y495 V510 T512L491-A493 PolarHBondContact O-N 3.22Å; A493-Y495 HydrophobicContact CB-CE2 4.05Å; A493-V510 HydrophobicContact CB-CG2 3.74Å; A493-T512 HydrophobicContact CB-CG2 4.11Å
494Y86.1Confident68.2Low36 Ų3677 Ų7714%0.14146%0.458CS..EExtended strand (participates in β ladder)trans-99.6123.5178.2-177.4-123.6000110.8V510 V511 K590 H593 M602Y494-V510 CarbonylContact O-C 3.6Å; Y494-V510 WeakPolarHBondContact O-CA 3.26Å; Y494-V511 PolarHBondContact N-O 3.4Å; Y494-V511 PolarHBondContact O-N 3.32Å; Y494-K590 HydrophobicContact CD1-CB 3.85Å; Y494-K590 HydrophobicContact CD1-CG 4.14Å; Y494-K590 HydrophobicContact CD2-CB 4.37Å; Y494-K590 HydrophobicContact CD2-CD 3.86Å; Y494-K590 HydrophobicContact CD2-CG 3.86Å; Y494-K590 HydrophobicContact CE1-CB 4.07Å; Y494-K590 HydrophobicContact CE1-CG 4.1Å; Y494-K590 HydrophobicContact CE2-CD 4.22Å; Y494-K590 HydrophobicContact CE2-CG 3.86Å; Y494-K590 HydrophobicContact CG-CB 4.01Å; Y494-K590 HydrophobicContact CG-CD 4.2Å; Y494-K590 HydrophobicContact CG-CG 4.03Å; Y494-H593 HydrophobicContact CE1-CB 4Å; Y494-H593 AromaticContact CE1-ND1 3.58Å; Y494-H593 AromaticContact CZ-ND1 3.63Å; Y494-H593 PolarHBondContact OH-ND1 3Å; Y494-M602 HydrophobicContact CD1-CE 4.04Å; Y494-M602 HydrophobicContact CD1-SD 4.43Å; Y494-M602 HydrophobicContact CE1-CE 3.74Å; Y494-M602 HydrophobicContact CE1-SD 4.37Å
495Y83.9Confident68.7Low133 Ų13374.8 Ų74.852%0.52245%0.449SS..EExtended strand (participates in β ladder)trans-103.4138.8-179.5-62.7-95.3000110.8A493 Q508 S509 V510A493-Y495 HydrophobicContact CB-CE2 4.05Å; Y495-Q508 HydrophobicContact CD1-CB 4.36Å; Y495-S509 WeakPolarHBondContact CA-O 3.37Å; Y495-V510 HydrophobicContact CD1-CB 3.92Å; Y495-V510 HydrophobicContact CD1-CG2 3.84Å; Y495-V510 HydrophobicContact CE1-CB 3.93Å; Y495-V510 HydrophobicContact CE1-CG2 3.58Å; Y495-V510 HydrophobicContact CE2-CG2 4.32Å; Y495-V510 HydrophobicContact CG-CG2 4.33Å
496G76.8Confident69.2Low8 Ų876.5 Ų76.58%0.08245%0.447CS..EExtended strand (participates in β ladder)trans-77.5177.6166.100000112.3S509G496-S509 WeakPolarHBondContact CA-OG 3.35Å; G496-S509 PolarHBondContact N-O 2.94Å
497P76.9Confident69.3Low51 Ų5179.4 Ų79.433%0.33146%0.456SS..EExtended strand (participates in β ladder)trans-63.7155.7171.629.7-34.2000111V499 D600P497-V499 PolarHBondContact O-N 2.94Å; P497-D600 HydrophobicContact CG-CB 3.74Å; P497-D600 WeakPolarHBondContact CG-OD1 3.49Å
498P70.4Confident69.5Low63 Ų6383.4 Ų83.441%0.40947%0.473SS..EExtended strand (participates in β ladder)trans-68.2127.8172.328.5-31.9000109.9Q506 Q508P498-Q506 HydrophobicContact CB-CB 4.21Å; P498-Q508 HydrophobicContact CB-CG 3.97Å
499V64.9Low69.7Low41 Ų4181.8 Ų81.825%0.24847%0.466CS..EExtended strand (participates in β ladder)trans-113.9140174.6-1680000108.6P497 G501 Q507 D600P497-V499 PolarHBondContact O-N 2.94Å; V499-G501 PolarHBondContact O-N 3.42Å; V499-Q507 PolarHBondContact N-O 3.4Å; V499-Q507 PolarHBondContact O-N 3.3Å; V499-D600 HydrophobicContact CG2-CB 4.25Å
500D59.6Low70.1Confident117 Ų11780.2 Ų80.263%0.62645%0.452SS*.EExtended strand (participates in β ladder)trans-71109.9177.9-65.2-37.5000109.9Q506D500-Q506 WeakPolarHBondContact OD1-CG 3.32Å; D500-Q506 PolarHBondContact OD1-NE2 2.86Å
501G57.5Low70.1Confident22 Ų2275.9 Ų75.923%0.22743%0.429CS..  trans-73.6164177.200000112.6V499 N503 G504 V505V499-G501 PolarHBondContact O-N 3.42Å; G501-N503 PolarHBondContact O-N 3.36Å; G501-G504 PolarHBondContact O-N 3.37Å; G501-V505 PolarHBondContact N-O 3.19Å; G501-V505 VanDerWaalsContact N-O 3.14Å
502L53.6Low70.2Confident187 Ų18775.2 Ų75.298%0.97943%0.427SS*.THydrogen-bonded Turntrans-50-18.7-179.6-78.6160.4000115.8
503N55Low70.1Confident151 Ų15169.8 Ų69.881%0.80739%0.391SS*.THydrogen-bonded Turntrans-108.712.6-179.3-62-8.8000113.6G501 V505G501-N503 PolarHBondContact O-N 3.36Å; N503-V505 PolarHBondContact O-N 2.87Å
504G54.1Low69.6Low68 Ų6870.7 Ų70.770%0.70140%0.396SS*.SBendtrans71.210.4-177.200000115G501G501-G504 PolarHBondContact O-N 3.37Å
505V56.4Low69.1Low89 Ų8971.6 Ų71.654%0.53941%0.405SS..  trans-92.9123.7171.3179.60000107.9G501 N503 Q507G501-V505 PolarHBondContact N-O 3.19Å; G501-V505 VanDerWaalsContact N-O 3.14Å; N503-V505 PolarHBondContact O-N 2.87Å; V505-Q507 PolarHBondContact O-N 3.29Å
506Q58.9Low68.9Low126 Ų12665.2 Ų65.259%0.58938%0.38SS*.EExtended strand (participates in β ladder)trans-64.7123.8172.8-73.9-168.6-17.800110.3P498 D500P498-Q506 HydrophobicContact CB-CB 4.21Å; D500-Q506 WeakPolarHBondContact OD1-CG 3.32Å; D500-Q506 PolarHBondContact OD1-NE2 2.86Å
507Q60.4Low68.8Low131 Ų13166.8 Ų66.861%0.61239%0.387SS*.EExtended strand (participates in β ladder)trans-117.9134.3176.5-67.4-174.8-6.800109.2V499 V505V499-Q507 PolarHBondContact N-O 3.4Å; V499-Q507 PolarHBondContact O-N 3.3Å; V505-Q507 PolarHBondContact O-N 3.29Å
508Q72.6Confident68.6Low103 Ų10371.4 Ų71.448%0.48140%0.399SS..EExtended strand (participates in β ladder)trans-102133.2172-74176.5-6.700108.7Y495 P498Y495-Q508 HydrophobicContact CD1-CB 4.36Å; P498-Q508 HydrophobicContact CB-CG 3.97Å
509S76.2Confident68.9Low20 Ų2069.2 Ų69.214%0.1438%0.384CS..EExtended strand (participates in β ladder)trans-64.7146.2164.4620000109.4Y495 G496 D600 M602Y495-S509 WeakPolarHBondContact CA-O 3.37Å; G496-S509 WeakPolarHBondContact CA-OG 3.35Å; G496-S509 PolarHBondContact N-O 2.94Å; S509-D600 VanDerWaalsContact CB-O 3.26Å; S509-D600 WeakPolarHBondContact CB-O 3.34Å; S509-D600 PolarHBondContact OG-O 2.98Å; S509-M602 WeakPolarHBondContact OG-CG 3.47Å
510V82.8Confident69.7Low67 Ų6767.3 Ų67.341%0.40637%0.372SS..EExtended strand (participates in β ladder)trans-137.9133.317964.20000110.7A493 Y494 Y495 T512A493-V510 HydrophobicContact CB-CG2 3.74Å; Y494-V510 CarbonylContact O-C 3.6Å; Y494-V510 WeakPolarHBondContact O-CA 3.26Å; Y495-V510 HydrophobicContact CD1-CB 3.92Å; Y495-V510 HydrophobicContact CD1-CG2 3.84Å; Y495-V510 HydrophobicContact CE1-CB 3.93Å; Y495-V510 HydrophobicContact CE1-CG2 3.58Å; Y495-V510 HydrophobicContact CE2-CG2 4.32Å; Y495-V510 HydrophobicContact CG-CG2 4.33Å; V510-T512 HydrophobicContact CG2-CG2 4.23Å
511V80.6Confident70.5Confident0 Ų065 Ų650%036%0.36CS..EExtended strand (participates in β ladder)trans-111.8115.7169.3-170.40000107.6Y494 V519 L586 C589 M602Y494-V511 PolarHBondContact N-O 3.4Å; Y494-V511 PolarHBondContact O-N 3.32Å; V511-V519 HydrophobicContact CG1-CG2 4.27Å; V511-V519 HydrophobicContact CG2-CG2 4.34Å; V511-L586 HydrophobicContact CB-CD1 4.14Å; V511-L586 HydrophobicContact CG1-CD1 3.88Å; V511-L586 VanDerWaalsContact O-CD1 3.28Å; V511-L586 WeakPolarHBondContact O-CD1 3.47Å; V511-C589 HydrophobicContact CG1-CB 4.31Å; V511-M602 HydrophobicContact CG2-CB 3.95Å; V511-M602 HydrophobicContact CG2-CG 3.61Å; V511-M602 HydrophobicContact CG2-SD 3.74Å
512T82.1Confident71.3Confident26 Ų2669.5 Ų69.516%0.1637%0.37CS..  trans-94.6176.317572.80000110.8D488 A493 V510 S514 T515 S516D488-T512 VanDerWaalsContact CG-OG1 3.32Å; D488-T512 VanDerWaalsContact OD1-CB 3.31Å; D488-T512 WeakPolarHBondContact OD1-CB 3.43Å; D488-T512 PolarHBondContact OD1-OG1 2.86Å; D488-T512 WeakPolarHBondContact OD2-CB 3.41Å; D488-T512 PolarHBondContact OD2-OG1 3.3Å; A493-T512 HydrophobicContact CB-CG2 4.11Å; V510-T512 HydrophobicContact CG2-CG2 4.23Å; T512-S514 VanDerWaalsContact C-N 3.34Å; T512-S514 PolarHBondContact OG1-OG 3.2Å; T512-T515 PolarHBondContact N-OG1 3.16Å; T512-T515 PolarHBondContact O-OG1 2.91Å; T512-T515 PolarHBondContact OG1-N 3.04Å; T512-T515 PolarHBondContact OG1-OG1 2.68Å; T512-S516 WeakPolarHBondContact O-CB 3.2Å; T512-S516 PolarHBondContact O-N 3.45Å
513L78.8Confident72.7Confident0 Ų060.6 Ų60.60%032%0.324CS..THydrogen-bonded Turntrans-64-42.9178.6-169.262.6000110.5V487 D488 L490 L491 S516 M574 L579 M582 A583 L586V487-L513 HydrophobicContact CG1-CB 4.49Å; V487-L513 HydrophobicContact CG1-CD2 4.04Å; V487-L513 HydrophobicContact CG1-CG 4.36Å; D488-L513 WeakPolarHBondContact OD1-CA 3.38Å; D488-L513 VanDerWaalsContact OD1-CB 3.29Å; D488-L513 WeakPolarHBondContact OD1-CB 3.2Å; D488-L513 PolarHBondContact OD1-N 2.96Å; L490-L513 HydrophobicContact CB-CD2 4.17Å; L491-L513 HydrophobicContact CB-CD1 4.46Å; L491-L513 HydrophobicContact CB-CD2 4.49Å; L491-L513 HydrophobicContact CD1-CD1 3.8Å; L491-L513 HydrophobicContact CD1-CD2 4.38Å; L513-S516 PolarHBondContact O-OG 3.1Å; L513-M574 HydrophobicContact CD2-CE 4.07Å; L513-L579 HydrophobicContact CD2-CD2 4.07Å; L513-M582 VanDerWaalsContact CD1-C 3.48Å; L513-M582 HydrophobicContact CD1-CB 3.67Å; L513-M582 HydrophobicContact CG-CB 3.85Å; L513-M582 WeakPolarHBondContact O-CB 3.41Å; L513-A583 HydrophobicContact CD1-CB 4.15Å; L513-L586 HydrophobicContact CB-CD2 4.48Å; L513-L586 HydrophobicContact CD1-CB 4.4Å; L513-L586 HydrophobicContact CD1-CD2 4.07Å
514S73.2Confident73.8Confident45 Ų4553.5 Ų53.532%0.31529%0.286SS..THydrogen-bonded Turntrans-65.5-39.517867.90000113.3D488 T512D488-S514 PolarHBondContact OD1-N 3Å; D488-S514 PolarHBondContact OD1-OG 3.37Å; D488-S514 WeakPolarHBondContact OD2-CB 3.47Å; D488-S514 PolarHBondContact OD2-OG 3.19Å; T512-S514 VanDerWaalsContact C-N 3.34Å; T512-S514 PolarHBondContact OG1-OG 3.2Å
515T76.2Confident74.6Confident55 Ų5557.7 Ų57.734%0.33729%0.289SS..THydrogen-bonded Turntrans-84.8-16.4-179.163.50000114.3T512 L517 Y518 V519T512-T515 PolarHBondContact N-OG1 3.16Å; T512-T515 PolarHBondContact O-OG1 2.91Å; T512-T515 PolarHBondContact OG1-N 3.04Å; T512-T515 PolarHBondContact OG1-OG1 2.68Å; T515-L517 PolarHBondContact O-N 3.17Å; T515-Y518 WeakPolarHBondContact O-CB 3.13Å; T515-Y518 PolarHBondContact O-N 2.74Å; T515-V519 PolarHBondContact O-N 2.89Å
516S80Confident75.5Confident0 Ų054.6 Ų54.60%027%0.271CS..Hα-helixtrans-50.5-46.2-174.5630000115.1T512 L513 Y518 V519 L520 M582T512-S516 WeakPolarHBondContact O-CB 3.2Å; T512-S516 PolarHBondContact O-N 3.45Å; L513-S516 PolarHBondContact O-OG 3.1Å; S516-Y518 VanDerWaalsContact C-N 3.3Å; S516-Y518 PolarHBondContact O-N 3.07Å; S516-V519 PolarHBondContact O-N 3.42Å; S516-L520 WeakPolarHBondContact O-CB 3.48Å; S516-L520 PolarHBondContact O-N 3.42Å; S516-M582 PolarHBondContact OG-O 3.3Å; S516-M582 VanDerWaalsContact OG-O 3.1Å
517L74.1Confident76.3Confident41 Ų4148.8 Ų48.822%0.21524%0.244CC..Hα-helixtrans-66.8-30.1-179.6-75169.6000112.8T515 L520 N521 F539 M582 A585T515-L517 PolarHBondContact O-N 3.17Å; L517-L520 HydrophobicContact CD2-CD2 4.41Å; L517-N521 VanDerWaalsContact O-CB 3.28Å; L517-N521 WeakPolarHBondContact O-CB 3.46Å; L517-N521 PolarHBondContact O-N 2.8Å; L517-N521 PolarHBondContact O-ND2 2.96Å; L517-F539 HydrophobicContact CD2-CE1 4.38Å; L517-F539 HydrophobicContact CD2-CE2 4.29Å; L517-F539 HydrophobicContact CD2-CZ 3.63Å; L517-M582 HydrophobicContact CD1-CE 4.26Å; L517-M582 HydrophobicContact CD1-CG 3.56Å; L517-M582 HydrophobicContact CG-CG 4.08Å; L517-A585 HydrophobicContact CD2-CB 3.67Å; L517-A585 HydrophobicContact CG-CB 4.05Å
518Y73.4Confident76.7Confident148 Ų14844.9 Ų44.958%0.5823%0.23SC*.Hα-helixtrans-69.8-47.5175.9166.2-99.2000111.1T515 S516 N521 R522T515-Y518 WeakPolarHBondContact O-CB 3.13Å; T515-Y518 PolarHBondContact O-N 2.74Å; S516-Y518 VanDerWaalsContact C-N 3.3Å; S516-Y518 PolarHBondContact O-N 3.07Å; Y518-N521 PolarHBondContact O-N 2.8Å; Y518-R522 WeakPolarHBondContact O-CB 2.83Å; Y518-R522 PolarHBondContact O-N 3.44Å; Y518-R522 PolarHBondContact OH-NH1 3.22Å
519V76.7Confident76.4Confident16 Ų1643.1 Ų43.110%0.09723%0.229CC..Hα-helixtrans-61.3-46.7177.9178.10000110.6V511 T515 S516 N521 R522 Y523 L598 M602V511-V519 HydrophobicContact CG1-CG2 4.27Å; V511-V519 HydrophobicContact CG2-CG2 4.34Å; T515-V519 PolarHBondContact O-N 2.89Å; S516-V519 PolarHBondContact O-N 3.42Å; V519-N521 PolarHBondContact O-N 3.28Å; V519-R522 PolarHBondContact O-N 3.02Å; V519-Y523 PolarHBondContact O-N 2.94Å; V519-L598 HydrophobicContact CG1-CD1 3.98Å; V519-L598 HydrophobicContact CG1-CD2 4.34Å; V519-M602 WeakPolarHBondContact CG1-O 3.23Å
520L82Confident75.9Confident1 Ų144.9 Ų44.91%0.00524%0.237CC..Hα-helixtrans-57.7-48.6175.9176.269.7000112.6S516 L517 Y523 C524 A537 F539 L557 L559 A585 A588 L592S516-L520 WeakPolarHBondContact O-CB 3.48Å; S516-L520 PolarHBondContact O-N 3.42Å; L517-L520 HydrophobicContact CD2-CD2 4.41Å; L520-Y523 PolarHBondContact O-N 3.28Å; L520-C524 PolarHBondContact O-N 2.97Å; L520-C524 PolarHBondContact O-SG 3.4Å; L520-A537 HydrophobicContact CD1-CB 4.49Å; L520-A537 HydrophobicContact CD2-CB 3.94Å; L520-A537 HydrophobicContact CG-CB 4.28Å; L520-F539 HydrophobicContact CD2-CZ 3.85Å; L520-L557 HydrophobicContact CD1-CD1 4.2Å; L520-L557 HydrophobicContact CD2-CD1 3.47Å; L520-L557 VanDerWaalsContact CD2-CD1 3.47Å; L520-L557 HydrophobicContact CG-CD1 4.49Å; L520-L559 HydrophobicContact CD1-CD2 3.73Å; L520-A585 HydrophobicContact CB-CB 4.42Å; L520-A585 HydrophobicContact CD2-CB 3.68Å; L520-A588 HydrophobicContact CD1-CB 4.26Å; L520-L592 HydrophobicContact CD1-CD1 4.36Å
521N75.1Confident75Confident70 Ų7048.1 Ų48.137%0.37424%0.242SC..Hα-helixtrans-67.5-37.6-179.3-74.9-18000111.6L517 Y518 V519 Y523 C524 M525L517-N521 VanDerWaalsContact O-CB 3.28Å; L517-N521 WeakPolarHBondContact O-CB 3.46Å; L517-N521 PolarHBondContact O-N 2.8Å; L517-N521 PolarHBondContact O-ND2 2.96Å; Y518-N521 PolarHBondContact O-N 2.8Å; V519-N521 PolarHBondContact O-N 3.28Å; N521-Y523 VanDerWaalsContact C-N 3.31Å; N521-Y523 PolarHBondContact O-N 2.9Å; N521-C524 PolarHBondContact O-N 3.26Å; N521-M525 WeakPolarHBondContact O-CB 3.21Å; N521-M525 WeakPolarHBondContact O-CG 3.01Å; N521-M525 PolarHBondContact O-N 3.09Å
522R74.9Confident74.3Confident115 Ų11549.3 Ų49.343%0.43425%0.247SC..Hα-helixtrans-63.2-36.6174.7-174.2172.5179.9168.9-4.3112.1Y518 V519 S526 P604Y518-R522 WeakPolarHBondContact O-CB 2.83Å; Y518-R522 PolarHBondContact O-N 3.44Å; Y518-R522 PolarHBondContact OH-NH1 3.22Å; V519-R522 PolarHBondContact O-N 3.02Å; R522-S526 PolarHBondContact O-N 3.12Å; R522-S526 PolarHBondContact O-OG 2.79Å; R522-P604 HydrophobicContact CG-CG 4.46Å
523Y82.4Confident73.6Confident1 Ų148.8 Ų48.80%0.00424%0.243CC..Hα-helixtrans-65.9-48.3169.9172.8-105.4000112.2V519 L520 N521 M525 S526 L527 C563 L592 E597 L598 P604V519-Y523 PolarHBondContact O-N 2.94Å; L520-Y523 PolarHBondContact O-N 3.28Å; N521-Y523 VanDerWaalsContact C-N 3.31Å; N521-Y523 PolarHBondContact O-N 2.9Å; Y523-M525 VanDerWaalsContact C-N 3.28Å; Y523-M525 PolarHBondContact O-N 3.04Å; Y523-S526 WeakPolarHBondContact CA-OG 3.08Å; Y523-S526 PolarHBondContact O-N 2.73Å; Y523-S526 PolarHBondContact O-OG 3.03Å; Y523-L527 HydrophobicContact CE1-CD1 4.39Å; Y523-L527 HydrophobicContact CE1-CD2 4.18Å; Y523-L527 HydrophobicContact CE1-CG 4.44Å; Y523-L527 HydrophobicContact CE2-CD2 4.16Å; Y523-L527 PolarHBondContact O-N 3.49Å; Y523-C563 PolarHBondContact OH-SG 2.86Å; Y523-L592 HydrophobicContact CD1-CD1 3.62Å; Y523-L592 HydrophobicContact CD1-CD2 4.28Å; Y523-L592 HydrophobicContact CE1-CD1 3.83Å; Y523-L592 HydrophobicContact CE1-CD2 3.61Å; Y523-L592 HydrophobicContact CE1-CG 4.37Å; Y523-L592 HydrophobicContact CG-CD1 4.23Å; Y523-E597 HydrophobicContact CE2-CB 3.77Å; Y523-E597 HydrophobicContact CE2-CG 4.46Å; Y523-E597 PolarHBondContact OH-OE2 2.93Å; Y523-L598 HydrophobicContact CD2-CD2 4.27Å; Y523-L598 HydrophobicContact CG-CD2 4.44Å; Y523-P604 HydrophobicContact CD2-CB 4.36Å
524C78.6Confident73Confident1 Ų154.2 Ų54.21%0.00728%0.276CS..Hα-helixtrans-58.1-41.3179-63.40000112L520 N521 S526 L527 S535 P560L520-C524 PolarHBondContact O-N 2.97Å; L520-C524 PolarHBondContact O-SG 3.4Å; N521-C524 PolarHBondContact O-N 3.26Å; C524-S526 PolarHBondContact O-N 2.57Å; C524-L527 PolarHBondContact O-N 3.45Å; C524-S535 CarbonylContact C-O 3.56Å; C524-S535 WeakPolarHBondContact CB-O 2.95Å; C524-S535 WeakPolarHBondContact O-CB 3.5Å; C524-P560 HydrophobicContact CB-CG 4.25Å
525M70.7Confident72.8Confident157 Ų15752.8 Ų52.877%0.77327%0.266SS*.THydrogen-bonded Turntrans-70.5-7.4175.7-71.8176.9166.600114.9N521 Y523N521-M525 WeakPolarHBondContact O-CB 3.21Å; N521-M525 WeakPolarHBondContact O-CG 3.01Å; N521-M525 PolarHBondContact O-N 3.09Å; Y523-M525 VanDerWaalsContact C-N 3.28Å; Y523-M525 PolarHBondContact O-N 3.04Å
526S76.2Confident72.6Confident23 Ų2353 Ų5316%0.16127%0.269CS..THydrogen-bonded Turntrans-105.4-2.817767.30000114R522 Y523 C524 P604 Y608R522-S526 PolarHBondContact O-N 3.12Å; R522-S526 PolarHBondContact O-OG 2.79Å; Y523-S526 WeakPolarHBondContact CA-OG 3.08Å; Y523-S526 PolarHBondContact O-N 2.73Å; Y523-S526 PolarHBondContact O-OG 3.03Å; C524-S526 PolarHBondContact O-N 2.57Å; S526-P604 WeakPolarHBondContact OG-CB 3.34Å; S526-P604 VanDerWaalsContact OG-CG 3.25Å; S526-P604 WeakPolarHBondContact OG-CG 3.45Å; S526-Y608 WeakPolarHBondContact O-CB 3.4Å
527L74.9Confident72.4Confident5 Ų553.7 Ų53.73%0.02628%0.276CS..SBendtrans-69.7148.9172.6-68.9172.6000110.4Y523 C524 S529 P560 C563 Y608Y523-L527 HydrophobicContact CE1-CD1 4.39Å; Y523-L527 HydrophobicContact CE1-CD2 4.18Å; Y523-L527 HydrophobicContact CE1-CG 4.44Å; Y523-L527 HydrophobicContact CE2-CD2 4.16Å; Y523-L527 PolarHBondContact O-N 3.49Å; C524-L527 PolarHBondContact O-N 3.45Å; L527-S529 PolarHBondContact O-N 3.47Å; L527-P560 HydrophobicContact CD1-CB 3.94Å; L527-P560 HydrophobicContact CD1-CG 3.86Å; L527-C563 HydrophobicContact CD1-CB 3.97Å; L527-C563 HydrophobicContact CD2-CB 4.47Å; L527-Y608 HydrophobicContact CD2-CE2 4.48Å
528P68.2Low72.5Confident49 Ų4955.1 Ų55.132%0.31828%0.28SS..  trans-54.3131.2169.4-23.634.1000110.9N562 Y608P528-N562 PolarHBondContact O-ND2 2.9Å; P528-Y608 HydrophobicContact CG-CD1 3.61Å; P528-Y608 HydrophobicContact CG-CE1 4.09Å; P528-Y608 HydrophobicContact CG-CG 4.33Å
529S66.5Low72.8Confident65 Ų6550.3 Ų50.346%0.45526%0.262SS..  trans-150.8133.5178.955.90000110.3L527L527-S529 PolarHBondContact O-N 3.47Å
530D67.1Low73Confident57 Ų5753.7 Ų53.731%0.30528%0.277SS..  trans-72.3173.9171.581.4-65.9000111.7Y532 T533 H1336D530-Y532 PolarHBondContact O-N 2.91Å; D530-Y532 WeakPolarHBondContact OD2-CA 2.82Å; D530-Y532 WeakPolarHBondContact OD2-CB 3.29Å; D530-Y532 WeakPolarHBondContact OD2-CD2 3.39Å; D530-Y532 PolarHBondContact OD2-N 3.26Å; D530-T533 PolarHBondContact O-N 3.18Å; D530-T533 VanDerWaalsContact O-N 3.13Å; D530-T533 WeakPolarHBondContact OD1-CB 3.41Å; D530-T533 PolarHBondContact OD1-N 2.97Å; D530-T533 VanDerWaalsContact OD1-N 3.08Å; D530-T533 PolarHBondContact OD1-OG1 3.25Å; D530-H1336 IonicContact OD1-CE1 3.84Å; D530-H1336 IonicContact OD1-NE2 2.7Å; D530-H1336 IonicContact OD2-NE2 3.7Å
531R63.1Low72.9Confident135 Ų13556.6 Ų56.651%0.50929%0.292SS..THydrogen-bonded Turntrans-59.2-8.8178.671-174.6-74.4-1620.1115.1E383 E1453E383-R531 IonicContact OE1-NH2 3.82Å; E383-R531 PolarHBondContact OE1-NH2 3.42Å; R531-E1453 IonicContact CZ-OE2 2.91Å; R531-E1453 IonicContact NH1-OE1 3.22Å; R531-E1453 PolarHBondContact NH1-OE1 3.47Å; R531-E1453 IonicContact NH1-OE2 2.73Å; R531-E1453 PolarHBondContact NH1-OE2 3.12Å; R531-E1453 IonicContact NH2-OE2 2.69Å
532Y66.4Low73.3Confident26 Ų2656.1 Ų56.110%0.10229%0.294CS..THydrogen-bonded Turntrans-115.3-3.8-179.9-49.4-67.3000114.7D530 N1409 A1411 L1412D530-Y532 PolarHBondContact O-N 2.91Å; D530-Y532 WeakPolarHBondContact OD2-CA 2.82Å; D530-Y532 WeakPolarHBondContact OD2-CB 3.29Å; D530-Y532 WeakPolarHBondContact OD2-CD2 3.39Å; D530-Y532 PolarHBondContact OD2-N 3.26Å; Y532-N1409 WeakPolarHBondContact CA-ND2 3.49Å; Y532-N1409 WeakPolarHBondContact O-CB 3.48Å; Y532-N1409 PolarHBondContact O-ND2 2.83Å; Y532-A1411 HydrophobicContact CD1-CB 4.08Å; Y532-A1411 HydrophobicContact CE1-CB 4Å; Y532-L1412 HydrophobicContact CD1-CB 3.79Å; Y532-L1412 HydrophobicContact CD2-CB 4.1Å; Y532-L1412 HydrophobicContact CD2-CD1 3.68Å; Y532-L1412 HydrophobicContact CD2-CD2 4.26Å; Y532-L1412 HydrophobicContact CD2-CG 4.22Å; Y532-L1412 HydrophobicContact CE1-CB 4.24Å; Y532-L1412 HydrophobicContact CE2-CD1 3.68Å; Y532-L1412 HydrophobicContact CG-CB 3.7Å; Y532-L1412 HydrophobicContact CG-CD1 4.19Å; Y532-L1412 HydrophobicContact CG-CD2 4.34Å; Y532-L1412 HydrophobicContact CG-CG 4.3Å
533T67.8Low73.7Confident14 Ų1453.7 Ų53.79%0.08630%0.295CS..  trans-103.5122.8-178.5-67.80000113.1D530 S1337 S1338D530-T533 PolarHBondContact O-N 3.18Å; D530-T533 VanDerWaalsContact O-N 3.13Å; D530-T533 WeakPolarHBondContact OD1-CB 3.41Å; D530-T533 PolarHBondContact OD1-N 2.97Å; D530-T533 VanDerWaalsContact OD1-N 3.08Å; D530-T533 PolarHBondContact OD1-OG1 3.25Å; T533-S1337 WeakPolarHBondContact OG1-CB 3.22Å; T533-S1338 PolarHBondContact OG1-N 3.19Å
534V65Low73.8Confident115 Ų11557.6 Ų57.670%0.69731%0.312SS*.  trans-100.886.1176.4-176.20000109.8S536V534-S536 PolarHBondContact O-N 2.97Å; V534-S536 PolarHBondContact O-OG 3.05Å; V534-S536 VanDerWaalsContact O-OG 3.1Å
535S68.6Low74Confident14 Ų1462.8 Ų62.810%0.09834%0.34CS..  trans-62.799-178.2-64.60000112.2C524C524-S535 CarbonylContact C-O 3.56Å; C524-S535 WeakPolarHBondContact CB-O 2.95Å; C524-S535 WeakPolarHBondContact O-CB 3.5Å
536S72.1Confident74.3Confident59 Ų5956.9 Ų56.941%0.41331%0.311SS..  trans-146.2141.8-177.852.90000111.9V534V534-S536 PolarHBondContact O-N 2.97Å; V534-S536 PolarHBondContact O-OG 3.05Å; V534-S536 VanDerWaalsContact O-OG 3.1Å
537A76.1Confident74.4Confident16 Ų1662.4 Ų62.413%0.13235%0.35CS..  trans-75.1132-179.700000111.7L520 F539 M558L520-A537 HydrophobicContact CD1-CB 4.49Å; L520-A537 HydrophobicContact CD2-CB 3.94Å; L520-A537 HydrophobicContact CG-CB 4.28Å; A537-F539 HydrophobicContact CB-CE2 4.22Å; A537-M558 WeakPolarHBondContact CA-O 3.46Å
538K76.7Confident74.3Confident71 Ų7166.1 Ų66.131%0.30938%0.376SS..EExtended strand (participates in β ladder)trans-94.4147.5177.1-61.5170.9-171.2163.40109.7L557 M558 Y1339 C1340K538-L557 CarbonylContact O-C 3.55Å; K538-L557 WeakPolarHBondContact O-CA 3.47Å; K538-M558 HydrophobicContact CB-CB 4.4Å; K538-M558 HydrophobicContact CB-CE 4.37Å; K538-M558 PolarHBondContact N-O 3.47Å; K538-M558 PolarHBondContact O-N 3.09Å; K538-Y1339 PolarHBondContact NZ-O 3.45Å; K538-C1340 PolarHBondContact NZ-O 2.93Å
539F79.8Confident74.5Confident47 Ų4766.1 Ų66.121%0.20639%0.385CS..EExtended strand (participates in β ladder)trans-129.7109-179.9-65.6-97000110.4L517 L520 A537 A555 L557 K581 A584L517-F539 HydrophobicContact CD2-CE1 4.38Å; L517-F539 HydrophobicContact CD2-CE2 4.29Å; L517-F539 HydrophobicContact CD2-CZ 3.63Å; L520-F539 HydrophobicContact CD2-CZ 3.85Å; A537-F539 HydrophobicContact CB-CE2 4.22Å; F539-A555 HydrophobicContact CD1-CB 4.32Å; F539-L557 HydrophobicContact CD1-CB 4.13Å; F539-L557 HydrophobicContact CE1-CB 4.08Å; F539-L557 HydrophobicContact CE1-CD1 3.74Å; F539-L557 HydrophobicContact CE1-CG 4.19Å; F539-L557 HydrophobicContact CZ-CD1 3.88Å; F539-L557 HydrophobicContact CZ-CG 4.46Å; F539-K581 HydrophobicContact CB-CD 4.39Å; F539-K581 HydrophobicContact CB-CG 4.2Å; F539-K581 HydrophobicContact CD1-CB 3.99Å; F539-K581 HydrophobicContact CD1-CD 4.43Å; F539-K581 HydrophobicContact CD1-CG 3.69Å; F539-K581 HydrophobicContact CD2-CD 4.49Å; F539-K581 HydrophobicContact CE1-CB 3.91Å; F539-K581 HydrophobicContact CE1-CG 4.13Å; F539-K581 WeakPolarHBondContact CE1-O 3.42Å; F539-K581 HydrophobicContact CG-CD 4.21Å; F539-K581 HydrophobicContact CG-CG 3.93Å; F539-K581 HydrophobicContact CZ-CB 4.46Å; F539-A584 HydrophobicContact CE1-CB 4.36Å
540E80.4Confident74.8Confident86 Ų8670.1 Ų70.140%0.40240%0.395SS..EExtended strand (participates in β ladder)trans-76137.9162.6-68.4165.4169.300108.2A555 T556 M558 K568E540-A555 CarbonylContact O-C 3.53Å; E540-A555 WeakPolarHBondContact O-CA 3.36Å; E540-T556 PolarHBondContact N-O 2.87Å; E540-T556 PolarHBondContact O-N 3.11Å; E540-M558 HydrophobicContact CG-CE 3.91Å; E540-M558 VanDerWaalsContact OE1-CE 3.27Å; E540-M558 WeakPolarHBondContact OE1-CE 3.44Å; E540-K568 IonicContact OE1-NZ 2.87Å; E540-K568 PolarHBondContact OE1-NZ 3.16Å; E540-K568 IonicContact OE2-NZ 2.69Å; E540-K568 PolarHBondContact OE2-NZ 3Å
541I80.3Confident75.4Confident62 Ų6271.9 Ų71.932%0.31840%0.401SS..EExtended strand (participates in β ladder)trans-125.1123.6-179.1-47.5173.5000108.8Y553 T554 Q577 K581I541-Y553 HydrophobicContact CG2-CD1 4.39Å; I541-T554 WeakPolarHBondContact CA-O 3.39Å; I541-Q577 HydrophobicContact CD1-CB 4.28Å; I541-Q577 HydrophobicContact CD1-CG 4.38Å; I541-Q577 VanDerWaalsContact CD1-OE1 3.28Å; I541-Q577 HydrophobicContact CG2-CG 4.03Å; I541-K581 VanDerWaalsContact CD1-CE 3.45Å
542S82.6Confident76.5Confident60 Ų6067.9 Ų67.942%0.4239%0.388SS..EExtended strand (participates in β ladder)trans-103.2148.9166.6560000110Y553 T554S542-Y553 WeakPolarHBondContact O-CA 3.33Å; S542-T554 PolarHBondContact N-O 3.29Å; S542-T554 PolarHBondContact O-N 2.66Å; S542-T554 PolarHBondContact OG-O 3.02Å
543S83.6Confident77.5Confident64 Ų6467 Ų6745%0.44839%0.385SS..EExtended strand (participates in β ladder)trans-127137.8170.568.50000110Q551 Q552 Y553S543-Q551 PolarHBondContact OG-NE2 3.13Å; S543-Q552 VanDerWaalsContact CA-O 3.27Å; S543-Q552 WeakPolarHBondContact CA-O 3.43Å; S543-Y553 VanDerWaalsContact CB-CE1 3.47Å
544F85.6Confident78.5Confident84 Ų8467 Ų6737%0.36839%0.385SS..EExtended strand (participates in β ladder)trans-144.4160.7176.861-88.5000109.4Q552 P573F544-Q552 HydrophobicContact CE2-CB 4.26Å; F544-Q552 HydrophobicContact CZ-CB 4.2Å; F544-Q552 PolarHBondContact N-O 3.09Å; F544-Q552 PolarHBondContact O-N 2.72Å; F544-P573 HydrophobicContact CE1-CB 4.4Å; F544-P573 HydrophobicContact CE1-CG 4.35Å; F544-P573 HydrophobicContact CZ-CB 3.8Å; F544-P573 HydrophobicContact CZ-CG 3.76Å
545N81.4Confident79.6Confident110 Ų11061.5 Ų61.559%0.58835%0.352SS*.EExtended strand (participates in β ladder)trans-90.5133.8174-63.9-3.6000109.1F550N545-F550 CarbonylContact C-O 3.58Å; N545-F550 WeakPolarHBondContact CA-O 3.47Å
546D78.8Confident80.5Confident32 Ų3261.9 Ų61.917%0.17135%0.353CS..  trans-74.4177.1173.765.733.6000112.4S548 G549 F550 Q552D546-S548 VanDerWaalsContact CG-OG 3.26Å; D546-S548 PolarHBondContact O-N 3.15Å; D546-S548 VanDerWaalsContact O-N 3.16Å; D546-S548 VanDerWaalsContact OD1-C 3.29Å; D546-S548 VanDerWaalsContact OD1-CA 3.26Å; D546-S548 WeakPolarHBondContact OD1-CA 3.47Å; D546-S548 WeakPolarHBondContact OD1-CB 3.28Å; D546-S548 PolarHBondContact OD1-N 2.63Å; D546-S548 PolarHBondContact OD1-OG 2.85Å; D546-S548 PolarHBondContact OD2-OG 2.69Å; D546-G549 PolarHBondContact O-N 3.47Å; D546-G549 PolarHBondContact OD1-N 3Å; D546-F550 PolarHBondContact N-O 2.76Å; D546-F550 PolarHBondContact OD1-N 3.01Å; D546-Q552 HydrophobicContact CB-CG 4.17Å; D546-Q552 PolarHBondContact OD2-NE2 3.5Å
547S76.5Confident81.3Confident139 Ų13959 Ų5997%0.97233%0.334SS*.THydrogen-bonded Turntrans-66-10.817947.40000114.5
548S72.9Confident81.6Confident83 Ų8360.3 Ų60.358%0.5834%0.337SS*.THydrogen-bonded Turntrans-98.1-0.2170.134.60000113.4D546D546-S548 VanDerWaalsContact CG-OG 3.26Å; D546-S548 PolarHBondContact O-N 3.15Å; D546-S548 VanDerWaalsContact O-N 3.16Å; D546-S548 VanDerWaalsContact OD1-C 3.29Å; D546-S548 VanDerWaalsContact OD1-CA 3.26Å; D546-S548 WeakPolarHBondContact OD1-CA 3.47Å; D546-S548 WeakPolarHBondContact OD1-CB 3.28Å; D546-S548 PolarHBondContact OD1-N 2.63Å; D546-S548 PolarHBondContact OD1-OG 2.85Å; D546-S548 PolarHBondContact OD2-OG 2.69Å
549G72.9Confident82Confident50 Ų5058 Ų5852%0.51533%0.328SS..SBendtrans83.34.2179.100000115D546D546-G549 PolarHBondContact O-N 3.47Å; D546-G549 PolarHBondContact OD1-N 3Å
550F73.6Confident82Confident149 Ų14956.6 Ų56.665%0.65432%0.324SS*.  trans-81.4140.6174.9-66.8-81.8000110.6N545 D546 Q552N545-F550 CarbonylContact C-O 3.58Å; N545-F550 WeakPolarHBondContact CA-O 3.47Å; D546-F550 PolarHBondContact N-O 2.76Å; D546-F550 PolarHBondContact OD1-N 3.01Å; F550-Q552 PolarHBondContact O-N 2.82Å
551Q79.6Confident81.8Confident93 Ų9353.3 Ų53.344%0.43531%0.309SS..EExtended strand (participates in β ladder)trans-80.1112-179.4-167.8177.911.400110.1S543 Y553S543-Q551 PolarHBondContact OG-NE2 3.13Å; Q551-Y553 HydrophobicContact CG-CE1 4.47Å; Q551-Y553 HydrophobicContact CG-CE2 4.34Å; Q551-Y553 WeakPolarHBondContact CG-OH 3.12Å; Q551-Y553 PolarHBondContact NE2-OH 3.48Å; Q551-Y553 WeakPolarHBondContact O-CE2 3.33Å; Q551-Y553 PolarHBondContact OE1-OH 3.27Å; Q551-Y553 VanDerWaalsContact OE1-OH 3.11Å
552Q86.5Confident81.6Confident52 Ų5250.5 Ų50.524%0.24330%0.295CS..EExtended strand (participates in β ladder)trans-102.7158.8175.9-60.4-161.313.100111.6S543 F544 D546 F550 P573S543-Q552 VanDerWaalsContact CA-O 3.27Å; S543-Q552 WeakPolarHBondContact CA-O 3.43Å; F544-Q552 HydrophobicContact CE2-CB 4.26Å; F544-Q552 HydrophobicContact CZ-CB 4.2Å; F544-Q552 PolarHBondContact N-O 3.09Å; F544-Q552 PolarHBondContact O-N 2.72Å; D546-Q552 HydrophobicContact CB-CG 4.17Å; D546-Q552 PolarHBondContact OD2-NE2 3.5Å; F550-Q552 PolarHBondContact O-N 2.82Å; Q552-P573 HydrophobicContact CB-CB 4.39Å
553Y86.3Confident81.5Confident6 Ų647.7 Ų47.72%0.02428%0.275CS..EExtended strand (participates in β ladder)trans-126.4133.9-175.7-57.9-87.7000110.7W478 I541 S542 S543 Q551 P573 M574 Q577 A580W478-Y553 AromaticContact CH2-CE1 3.92Å; W478-Y553 HydrophobicContact CH2-CE1 3.92Å; W478-Y553 AromaticContact CH2-CZ 3.93Å; W478-Y553 HydrophobicContact CZ2-CE1 4.25Å; W478-Y553 AromaticContact CZ2-CZ 3.78Å; W478-Y553 WeakPolarHBondContact CZ2-OH 3.45Å; I541-Y553 HydrophobicContact CG2-CD1 4.39Å; S542-Y553 WeakPolarHBondContact O-CA 3.33Å; S543-Y553 VanDerWaalsContact CB-CE1 3.47Å; Q551-Y553 HydrophobicContact CG-CE1 4.47Å; Q551-Y553 HydrophobicContact CG-CE2 4.34Å; Q551-Y553 WeakPolarHBondContact CG-OH 3.12Å; Q551-Y553 PolarHBondContact NE2-OH 3.48Å; Q551-Y553 WeakPolarHBondContact O-CE2 3.33Å; Q551-Y553 PolarHBondContact OE1-OH 3.27Å; Q551-Y553 VanDerWaalsContact OE1-OH 3.11Å; Y553-P573 WeakPolarHBondContact O-CA 3.47Å; Y553-M574 PolarHBondContact N-O 2.8Å; Y553-M574 PolarHBondContact O-N 3.08Å; Y553-Q577 HydrophobicContact CD1-CG 3.43Å; Y553-Q577 VanDerWaalsContact CD1-CG 3.43Å; Y553-Q577 HydrophobicContact CD2-CG 4.48Å; Y553-Q577 HydrophobicContact CE1-CG 3.89Å; Y553-Q577 HydrophobicContact CG-CG 3.77Å; Y553-A580 WeakPolarHBondContact O-CB 3.48Å
554T90.2Very high81.1Confident15 Ų1545.9 Ų45.99%0.09226%0.261CS..EExtended strand (participates in β ladder)trans-118.1133.2171.8-770000108.3I541 S542 T570I541-T554 WeakPolarHBondContact CA-O 3.39Å; S542-T554 PolarHBondContact N-O 3.29Å; S542-T554 PolarHBondContact O-N 2.66Å; S542-T554 PolarHBondContact OG-O 3.02Å; T554-T570 HydrophobicContact CG2-CG2 3.3Å
555A86.9Confident80.7Confident0 Ų042.4 Ų42.40%025%0.247CC..EExtended strand (participates in β ladder)trans-108.3129.1174.800000110.1F539 E540 G571 A580 K581 A584F539-A555 HydrophobicContact CD1-CB 4.32Å; E540-A555 CarbonylContact O-C 3.53Å; E540-A555 WeakPolarHBondContact O-CA 3.36Å; A555-G571 PolarHBondContact O-N 3.39Å; A555-A580 HydrophobicContact CB-CB 3.96Å; A555-A580 WeakPolarHBondContact CB-O 3.14Å; A555-K581 HydrophobicContact CB-CG 4.25Å; A555-A584 HydrophobicContact CB-CB 4.17Å
556T88Confident80.4Confident21 Ų2139.4 Ų39.413%0.12923%0.228CC..EExtended strand (participates in β ladder)trans-104.3110.9170.1-640000108.6E540 K568 T570E540-T556 PolarHBondContact N-O 2.87Å; E540-T556 PolarHBondContact O-N 3.11Å; T556-K568 HydrophobicContact CG2-CB 3.81Å; T556-K568 HydrophobicContact CG2-CD 3.85Å; T556-K568 HydrophobicContact CG2-CG 4.29Å; T556-T570 WeakPolarHBondContact CG2-OG1 3.44Å; T556-T570 PolarHBondContact OG1-OG1 3.02Å
557L88.1Confident80.3Confident0 Ų045.3 Ų45.30%025%0.252CS..EExtended strand (participates in β ladder)trans-83.2138.9179.4173.9159000110.3L520 K538 F539 L559 I569 A584 A588L520-L557 HydrophobicContact CD1-CD1 4.2Å; L520-L557 HydrophobicContact CD2-CD1 3.47Å; L520-L557 VanDerWaalsContact CD2-CD1 3.47Å; L520-L557 HydrophobicContact CG-CD1 4.49Å; K538-L557 CarbonylContact O-C 3.55Å; K538-L557 WeakPolarHBondContact O-CA 3.47Å; F539-L557 HydrophobicContact CD1-CB 4.13Å; F539-L557 HydrophobicContact CE1-CB 4.08Å; F539-L557 HydrophobicContact CE1-CD1 3.74Å; F539-L557 HydrophobicContact CE1-CG 4.19Å; F539-L557 HydrophobicContact CZ-CD1 3.88Å; F539-L557 HydrophobicContact CZ-CG 4.46Å; L557-L559 HydrophobicContact CD2-CD2 3.84Å; L557-L559 HydrophobicContact CD2-CG 3.75Å; L557-I569 HydrophobicContact CB-CB 4.34Å; L557-I569 WeakPolarHBondContact CB-O 3.08Å; L557-I569 HydrophobicContact CD2-CB 4.1Å; L557-I569 HydrophobicContact CD2-CD1 4.1Å; L557-I569 HydrophobicContact CD2-CG1 4.25Å; L557-I569 PolarHBondContact N-O 3.38Å; L557-I569 PolarHBondContact O-N 3.24Å; L557-A584 HydrophobicContact CB-CB 4.09Å; L557-A588 HydrophobicContact CD1-CB 3.78Å; L557-A588 HydrophobicContact CD2-CB 4.09Å
558M83.8Confident80.6Confident42 Ų4242.7 Ų42.721%0.20722%0.224CC..EExtended strand (participates in β ladder)trans-123.1127167.6-67.1-174.9-71.700108.8A537 K538 E540 K568A537-M558 WeakPolarHBondContact CA-O 3.46Å; K538-M558 HydrophobicContact CB-CB 4.4Å; K538-M558 HydrophobicContact CB-CE 4.37Å; K538-M558 PolarHBondContact N-O 3.47Å; K538-M558 PolarHBondContact O-N 3.09Å; E540-M558 HydrophobicContact CG-CE 3.91Å; E540-M558 VanDerWaalsContact OE1-CE 3.27Å; E540-M558 WeakPolarHBondContact OE1-CE 3.44Å; M558-K568 HydrophobicContact CG-CD 4.34Å; M558-K568 HydrophobicContact CG-CG 4.06Å; M558-K568 HydrophobicContact SD-CD 4.32Å; M558-K568 WeakPolarHBondContact SD-CE 3.47Å; M558-K568 HydrophobicContact SD-CG 4.45Å
559L84.5Confident81.3Confident23 Ų2339.1 Ų39.112%0.1220%0.198CC..  trans-77163.5175.8-66.7167.7000110.8L520 L557 C563 L565 I569 L592L520-L559 HydrophobicContact CD1-CD2 3.73Å; L557-L559 HydrophobicContact CD2-CD2 3.84Å; L557-L559 HydrophobicContact CD2-CG 3.75Å; L559-C563 HydrophobicContact CB-CB 3.93Å; L559-L565 HydrophobicContact CD1-CB 3.94Å; L559-L565 HydrophobicContact CD1-CD2 3.86Å; L559-L565 HydrophobicContact CD1-CG 4.12Å; L559-I569 HydrophobicContact CD1-CD1 4.27Å; L559-L592 HydrophobicContact CD1-CD2 4.12Å
560P79.3Confident82.2Confident17 Ų1740.3 Ų40.311%0.1120%0.195CC..  trans-56.6152.7171.5-24.836000112C524 L527 N562 C563C524-P560 HydrophobicContact CB-CG 4.25Å; L527-P560 HydrophobicContact CD1-CB 3.94Å; L527-P560 HydrophobicContact CD1-CG 3.86Å; P560-N562 PolarHBondContact O-N 2.99Å; P560-C563 VanDerWaalsContact O-CB 3.25Å; P560-C563 WeakPolarHBondContact O-CB 3.5Å; P560-C563 PolarHBondContact O-N 3.01Å
561L76.1Confident82.9Confident17 Ų1733.4 Ų33.49%0.08917%0.166CC..THydrogen-bonded Turntrans-57.1-32.7178.2-73.7171.2000112.2C563 K566 T1335 P1342 F1345 N1347L561-C563 PolarHBondContact O-N 3.03Å; L561-K566 PolarHBondContact O-NZ 2.85Å; L561-T1335 HydrophobicContact CD1-CG2 4Å; L561-P1342 HydrophobicContact CD1-CB 4.22Å; L561-P1342 HydrophobicContact CD1-CG 4.25Å; L561-P1342 HydrophobicContact CD2-CB 4.29Å; L561-P1342 HydrophobicContact CD2-CG 4.03Å; L561-P1342 HydrophobicContact CG-CG 4.42Å; L561-F1345 WeakPolarHBondContact CD2-O 3.45Å; L561-N1347 HydrophobicContact CB-CB 4.41Å; L561-N1347 HydrophobicContact CD1-CB 4.4Å
562N75.6Confident83.5Confident4 Ų431.1 Ų31.12%0.02116%0.16CC..THydrogen-bonded Turntrans-76.50.6-178.7-57.438000112.8P528 P560 Q1175 S1337 N1347 E1349P528-N562 PolarHBondContact O-ND2 2.9Å; P560-N562 PolarHBondContact O-N 2.99Å; N562-Q1175 PolarHBondContact O-NE2 3.1Å; N562-Q1175 VanDerWaalsContact O-NE2 3.12Å; N562-S1337 WeakPolarHBondContact OD1-CB 3.07Å; N562-S1337 PolarHBondContact OD1-OG 3.31Å; N562-N1347 PolarHBondContact OD1-ND2 2.79Å; N562-E1349 PolarHBondContact ND2-OE1 2.95Å
563C80.4Confident83.6Confident1 Ų131.4 Ų31.41%0.00717%0.166CC..SBendtrans-82.2140.8169.3-175.20000110.8Y523 L527 L559 P560 L561 L565 K566 Q1175Y523-C563 PolarHBondContact OH-SG 2.86Å; L527-C563 HydrophobicContact CD1-CB 3.97Å; L527-C563 HydrophobicContact CD2-CB 4.47Å; L559-C563 HydrophobicContact CB-CB 3.93Å; P560-C563 VanDerWaalsContact O-CB 3.25Å; P560-C563 WeakPolarHBondContact O-CB 3.5Å; P560-C563 PolarHBondContact O-N 3.01Å; L561-C563 PolarHBondContact O-N 3.03Å; C563-L565 VanDerWaalsContact C-N 3.28Å; C563-L565 PolarHBondContact O-N 2.91Å; C563-L565 PolarHBondContact SG-N 3.43Å; C563-L565 VanDerWaalsContact SG-N 3.39Å; C563-K566 WeakPolarHBondContact O-CE 2.91Å; C563-K566 PolarHBondContact O-NZ 3.32Å; C563-Q1175 VanDerWaalsContact C-NE2 3.33Å
564P75.1Confident83.6Confident25 Ų2532 Ų3216%0.16217%0.169CC..SBendtrans-61.7-30.2170.1-26.436.4000114.2K566 Q1175P564-K566 WeakPolarHBondContact O-CG 3.38Å; P564-K566 PolarHBondContact O-N 2.93Å; P564-Q1175 HydrophobicContact CG-CG 4.44Å
565L79Confident83.2Confident12 Ų1235.4 Ų35.46%0.06319%0.193CC..  trans-82.482.6-171.4-176.960.3000112.4L559 C563 K567 I569 I591 L592L559-L565 HydrophobicContact CD1-CB 3.94Å; L559-L565 HydrophobicContact CD1-CD2 3.86Å; L559-L565 HydrophobicContact CD1-CG 4.12Å; C563-L565 VanDerWaalsContact C-N 3.28Å; C563-L565 PolarHBondContact O-N 2.91Å; C563-L565 PolarHBondContact SG-N 3.43Å; C563-L565 VanDerWaalsContact SG-N 3.39Å; L565-K567 PolarHBondContact O-N 3.19Å; L565-I569 HydrophobicContact CD2-CD1 3.88Å; L565-I591 HydrophobicContact CD1-CG2 4.07Å; L565-I591 HydrophobicContact CD2-CB 4.2Å; L565-I591 HydrophobicContact CD2-CG2 3.52Å; L565-I591 HydrophobicContact CG-CG2 4.46Å; L565-L592 HydrophobicContact CB-CD2 4.4Å; L565-L592 HydrophobicContact CD2-CD2 3.93Å; L565-L592 HydrophobicContact CD2-CG 4.31Å
566K73.9Confident82.8Confident46 Ų4637.6 Ų37.620%0.221%0.205CC..  trans-70.125.3-174.9-50.9-48-170.4172.70116.7L561 C563 P564 F1345 E1346L561-K566 PolarHBondContact O-NZ 2.85Å; C563-K566 WeakPolarHBondContact O-CE 2.91Å; C563-K566 PolarHBondContact O-NZ 3.32Å; P564-K566 WeakPolarHBondContact O-CG 3.38Å; P564-K566 PolarHBondContact O-N 2.93Å; K566-F1345 HydrophobicContact CB-CB 3.97Å; K566-F1345 WeakPolarHBondContact CD-O 3.47Å; K566-E1346 HydrophobicContact CD-CG 4.46Å
567K76.7Confident82.3Confident156 Ų15639.3 Ų39.368%0.67821%0.212SC*.SBendtrans-115.7138-171.4-66.8-178.1179.6176.40112.2L565 I569L565-K567 PolarHBondContact O-N 3.19Å; K567-I569 WeakPolarHBondContact O-CG1 3.37Å
568K83.1Confident81.6Confident85 Ų8544.5 Ų44.537%0.3723%0.234SC..  trans-65.2131.9166.8-68.6-156.3172.8-160.30109.5E540 T556 M558 F1345E540-K568 IonicContact OE1-NZ 2.87Å; E540-K568 PolarHBondContact OE1-NZ 3.16Å; E540-K568 IonicContact OE2-NZ 2.69Å; E540-K568 PolarHBondContact OE2-NZ 3Å; T556-K568 HydrophobicContact CG2-CB 3.81Å; T556-K568 HydrophobicContact CG2-CD 3.85Å; T556-K568 HydrophobicContact CG2-CG 4.29Å; M558-K568 HydrophobicContact CG-CD 4.34Å; M558-K568 HydrophobicContact CG-CG 4.06Å; M558-K568 HydrophobicContact SD-CD 4.32Å; M558-K568 WeakPolarHBondContact SD-CE 3.47Å; M558-K568 HydrophobicContact SD-CG 4.45Å; K568-F1345 HydrophobicContact CG-CE1 4.13Å; K568-F1345 HydrophobicContact CG-CZ 4.13Å
569I88.7Confident81.5Confident8 Ų843.3 Ų43.34%0.04123%0.228CC..EExtended strand (participates in β ladder)trans-116.499.3-175.9-52.2-176000109.2L557 L559 L565 K567 L587 A588 I591L557-I569 HydrophobicContact CB-CB 4.34Å; L557-I569 WeakPolarHBondContact CB-O 3.08Å; L557-I569 HydrophobicContact CD2-CB 4.1Å; L557-I569 HydrophobicContact CD2-CD1 4.1Å; L557-I569 HydrophobicContact CD2-CG1 4.25Å; L557-I569 PolarHBondContact N-O 3.38Å; L557-I569 PolarHBondContact O-N 3.24Å; L559-I569 HydrophobicContact CD1-CD1 4.27Å; L565-I569 HydrophobicContact CD2-CD1 3.88Å; K567-I569 WeakPolarHBondContact O-CG1 3.37Å; I569-L587 HydrophobicContact CG2-CB 4.45Å; I569-L587 HydrophobicContact CG2-CD2 3.64Å; I569-A588 HydrophobicContact CD1-CB 3.8Å; I569-A588 HydrophobicContact CG2-CB 4.3Å; I569-I591 HydrophobicContact CD1-CD1 4.25Å; I569-I591 HydrophobicContact CG2-CD1 4.21Å
570T90.7Very high81.6Confident75 Ų7542.2 Ų42.246%0.4622%0.223SC..EExtended strand (participates in β ladder)trans-87.8121.8179.7-56.70000110.8T554 T556T554-T570 HydrophobicContact CG2-CG2 3.3Å; T556-T570 WeakPolarHBondContact CG2-OG1 3.44Å; T556-T570 PolarHBondContact OG1-OG1 3.02Å
571G88.9Confident81.8Confident4 Ų444.8 Ų44.84%0.04123%0.232CC..PPolyproline II helixtrans-76.5159.8172.600000112.4A555A555-G571 PolarHBondContact O-N 3.39Å
572P90.7Very high82.2Confident45 Ų4545.1 Ų45.129%0.29223%0.234SC..PPolyproline II helixtrans-59.9157.717327.5-36.5000112L491 M574 A583L491-P572 HydrophobicContact CD1-CG 3.91Å; L491-P572 HydrophobicContact CD2-CG 4.14Å; P572-M574 HydrophobicContact CG-SD 4.47Å; P572-A583 HydrophobicContact CG-CB 3.88Å
573P89.3Confident82.8Confident58 Ų5845 Ų4538%0.37723%0.234SC..PPolyproline II helixtrans-58.3136.8170-23.935.4000112.4F544 Q552 Y553F544-P573 HydrophobicContact CE1-CB 4.4Å; F544-P573 HydrophobicContact CE1-CG 4.35Å; F544-P573 HydrophobicContact CZ-CB 3.8Å; F544-P573 HydrophobicContact CZ-CG 3.76Å; Q552-P573 HydrophobicContact CB-CB 4.39Å; Y553-P573 WeakPolarHBondContact O-CA 3.47Å
574M87.1Confident83.3Confident18 Ų1845 Ų459%0.08923%0.233CC..BIsolated β-bridgetrans-135.4159.1177.6-55.6-65-74.400111L490 L491 L513 Y553 P572 N576 L579 A580 A583L490-M574 HydrophobicContact CB-CE 4.12Å; L490-M574 HydrophobicContact CD1-CE 4.3Å; L491-M574 HydrophobicContact CD1-CE 4.02Å; L491-M574 HydrophobicContact CD1-SD 3.93Å; L491-M574 HydrophobicContact CG-CE 4.33Å; L491-M574 HydrophobicContact CG-SD 4.42Å; L513-M574 HydrophobicContact CD2-CE 4.07Å; Y553-M574 PolarHBondContact N-O 2.8Å; Y553-M574 PolarHBondContact O-N 3.08Å; P572-M574 HydrophobicContact CG-SD 4.47Å; M574-N576 PolarHBondContact O-N 3.41Å; M574-L579 HydrophobicContact CB-CB 3.71Å; M574-L579 HydrophobicContact CE-CB 3.89Å; M574-L579 HydrophobicContact CE-CD1 4.42Å; M574-L579 HydrophobicContact CG-CB 4.08Å; M574-A580 HydrophobicContact CB-CB 4.25Å; M574-A580 HydrophobicContact CG-CB 4.42Å; M574-A583 HydrophobicContact CG-CB 3.95Å; M574-A583 HydrophobicContact SD-CB 4.19Å
575S81.4Confident83.9Confident86 Ų8643.8 Ų43.860%0.60123%0.225SC*.SBendtrans-67.2-14.6-17854.80000115.4
576N79.1Confident84.4Confident46 Ų4643.9 Ų43.925%0.24623%0.226CC..SBendtrans-149.4164172.370.757.4000112.3M574 K578 L579 A580M574-N576 PolarHBondContact O-N 3.41Å; N576-K578 VanDerWaalsContact C-N 3.31Å; N576-K578 PolarHBondContact O-N 3.06Å; N576-K578 WeakPolarHBondContact OD1-CB 3.45Å; N576-K578 PolarHBondContact OD1-N 3.4Å; N576-L579 WeakPolarHBondContact ND2-CD1 3.46Å; N576-L579 PolarHBondContact O-N 3.43Å; N576-L579 WeakPolarHBondContact OD1-CG 3.41Å; N576-L579 PolarHBondContact OD1-N 3.17Å; N576-A580 PolarHBondContact O-N 2.83Å
577Q77.3Confident85.3Confident58 Ų5844.8 Ų44.827%0.27123%0.233SC..Hα-helixtrans-63.6-30.5-176.5-62.9-164.6-1.200114.5W478 I541 Y553 A580 K581W478-Q577 HydrophobicContact CZ3-CG 4Å; I541-Q577 HydrophobicContact CD1-CB 4.28Å; I541-Q577 HydrophobicContact CD1-CG 4.38Å; I541-Q577 VanDerWaalsContact CD1-OE1 3.28Å; I541-Q577 HydrophobicContact CG2-CG 4.03Å; Y553-Q577 HydrophobicContact CD1-CG 3.43Å; Y553-Q577 VanDerWaalsContact CD1-CG 3.43Å; Y553-Q577 HydrophobicContact CD2-CG 4.48Å; Y553-Q577 HydrophobicContact CE1-CG 3.89Å; Y553-Q577 HydrophobicContact CG-CG 3.77Å; Q577-A580 PolarHBondContact O-N 3.45Å; Q577-K581 WeakPolarHBondContact O-CG 3.38Å; Q577-K581 PolarHBondContact O-N 3.15Å
578K72.1Confident86Confident109 Ų10937.4 Ų37.447%0.47420%0.2SC..Hα-helixtrans-71.4-46.7-178.9-173.5179.7-172.2169.30110.5E479 N576 A580 K581 M582E479-K578 WeakPolarHBondContact OE1-CD 3.42Å; E479-K578 WeakPolarHBondContact OE1-CE 3.44Å; E479-K578 IonicContact OE1-NZ 3.71Å; E479-K578 PolarHBondContact OE1-NZ 2.84Å; N576-K578 VanDerWaalsContact C-N 3.31Å; N576-K578 PolarHBondContact O-N 3.06Å; N576-K578 WeakPolarHBondContact OD1-CB 3.45Å; N576-K578 PolarHBondContact OD1-N 3.4Å; K578-A580 VanDerWaalsContact C-N 3.34Å; K578-K581 PolarHBondContact O-N 3.1Å; K578-M582 HydrophobicContact CG-CE 4.49Å; K578-M582 HydrophobicContact CG-SD 4.48Å; K578-M582 WeakPolarHBondContact O-CG 3.41Å; K578-M582 PolarHBondContact O-N 2.82Å
579L82.3Confident86.3Confident16 Ų1633.3 Ų33.38%0.08418%0.183CC..Hα-helixtrans-61-41.2171.5-68176.6000111.5V487 L490 L513 M574 N576 K581 M582 A583V487-L579 HydrophobicContact CG1-CD2 3.74Å; L490-L579 HydrophobicContact CD1-CD1 3.78Å; L490-L579 HydrophobicContact CD1-CD2 3.9Å; L490-L579 HydrophobicContact CD1-CG 4.5Å; L513-L579 HydrophobicContact CD2-CD2 4.07Å; M574-L579 HydrophobicContact CB-CB 3.71Å; M574-L579 HydrophobicContact CE-CB 3.89Å; M574-L579 HydrophobicContact CE-CD1 4.42Å; M574-L579 HydrophobicContact CG-CB 4.08Å; N576-L579 WeakPolarHBondContact ND2-CD1 3.46Å; N576-L579 PolarHBondContact O-N 3.43Å; N576-L579 WeakPolarHBondContact OD1-CG 3.41Å; N576-L579 PolarHBondContact OD1-N 3.17Å; L579-K581 PolarHBondContact O-N 3.21Å; L579-M582 PolarHBondContact O-N 3.23Å; L579-A583 VanDerWaalsContact O-CB 3.28Å; L579-A583 WeakPolarHBondContact O-CB 3.47Å; L579-A583 PolarHBondContact O-N 3.47Å
580A86.5Confident86.5Confident0 Ų037.7 Ų37.70%020%0.202CC..Hα-helixtrans-60.6-44.1176.200000112.2Y553 A555 M574 N576 Q577 K578 A583 A584Y553-A580 WeakPolarHBondContact O-CB 3.48Å; A555-A580 HydrophobicContact CB-CB 3.96Å; A555-A580 WeakPolarHBondContact CB-O 3.14Å; M574-A580 HydrophobicContact CB-CB 4.25Å; M574-A580 HydrophobicContact CG-CB 4.42Å; N576-A580 PolarHBondContact O-N 2.83Å; Q577-A580 PolarHBondContact O-N 3.45Å; K578-A580 VanDerWaalsContact C-N 3.34Å; A580-A583 PolarHBondContact O-N 2.71Å; A580-A584 PolarHBondContact O-N 3.46Å
581K83.9Confident86.4Confident71 Ų7136.7 Ų36.731%0.30919%0.193SC..Hα-helixtrans-63.2-44.1174.2-71.9179.7-176.6177.90112.4F539 I541 A555 Q577 K578 L579 A583 A584 A585F539-K581 HydrophobicContact CB-CD 4.39Å; F539-K581 HydrophobicContact CB-CG 4.2Å; F539-K581 HydrophobicContact CD1-CB 3.99Å; F539-K581 HydrophobicContact CD1-CD 4.43Å; F539-K581 HydrophobicContact CD1-CG 3.69Å; F539-K581 HydrophobicContact CD2-CD 4.49Å; F539-K581 HydrophobicContact CE1-CB 3.91Å; F539-K581 HydrophobicContact CE1-CG 4.13Å; F539-K581 WeakPolarHBondContact CE1-O 3.42Å; F539-K581 HydrophobicContact CG-CD 4.21Å; F539-K581 HydrophobicContact CG-CG 3.93Å; F539-K581 HydrophobicContact CZ-CB 4.46Å; I541-K581 VanDerWaalsContact CD1-CE 3.45Å; A555-K581 HydrophobicContact CB-CG 4.25Å; Q577-K581 WeakPolarHBondContact O-CG 3.38Å; Q577-K581 PolarHBondContact O-N 3.15Å; K578-K581 PolarHBondContact O-N 3.1Å; L579-K581 PolarHBondContact O-N 3.21Å; K581-A583 VanDerWaalsContact C-N 3.33Å; K581-A584 PolarHBondContact O-N 2.94Å; K581-A585 VanDerWaalsContact O-CB 3.3Å; K581-A585 WeakPolarHBondContact O-CB 3.37Å; K581-A585 PolarHBondContact O-N 3.36Å
582M83.4Confident86.5Confident25 Ų2536.5 Ų36.512%0.12319%0.191CC..Hα-helixtrans-61-41.6174.7-74.3171.3162.500111.7L513 S516 L517 K578 L579 A585 L586L513-M582 VanDerWaalsContact CD1-C 3.48Å; L513-M582 HydrophobicContact CD1-CB 3.67Å; L513-M582 HydrophobicContact CG-CB 3.85Å; L513-M582 WeakPolarHBondContact O-CB 3.41Å; S516-M582 PolarHBondContact OG-O 3.3Å; S516-M582 VanDerWaalsContact OG-O 3.1Å; L517-M582 HydrophobicContact CD1-CE 4.26Å; L517-M582 HydrophobicContact CD1-CG 3.56Å; L517-M582 HydrophobicContact CG-CG 4.08Å; K578-M582 HydrophobicContact CG-CE 4.49Å; K578-M582 HydrophobicContact CG-SD 4.48Å; K578-M582 WeakPolarHBondContact O-CG 3.41Å; K578-M582 PolarHBondContact O-N 2.82Å; L579-M582 PolarHBondContact O-N 3.23Å; M582-A585 PolarHBondContact O-N 3.02Å; M582-L586 WeakPolarHBondContact O-CB 3.47Å; M582-L586 PolarHBondContact O-N 3.41Å
583A89Confident86.4Confident2 Ų235.5 Ų35.52%0.01718%0.182CC..Hα-helixtrans-66-41.8179.300000112L491 L513 P572 M574 L579 A580 K581 L587L491-A583 HydrophobicContact CD1-CB 3.43Å; L491-A583 VanDerWaalsContact CD1-CB 3.43Å; L513-A583 HydrophobicContact CD1-CB 4.15Å; P572-A583 HydrophobicContact CG-CB 3.88Å; M574-A583 HydrophobicContact CG-CB 3.95Å; M574-A583 HydrophobicContact SD-CB 4.19Å; L579-A583 VanDerWaalsContact O-CB 3.28Å; L579-A583 WeakPolarHBondContact O-CB 3.47Å; L579-A583 PolarHBondContact O-N 3.47Å; A580-A583 PolarHBondContact O-N 2.71Å; K581-A583 VanDerWaalsContact C-N 3.33Å; A583-L587 WeakPolarHBondContact O-CB 3.33Å; A583-L587 PolarHBondContact O-N 2.74Å; A583-L587 VanDerWaalsContact O-N 3.12Å
584A91.7Very high86.3Confident0 Ų040 Ų400%020%0.196CC..Hα-helixtrans-64.6-39.9171.900000112.2F539 A555 L557 A580 K581 L587 A588F539-A584 HydrophobicContact CE1-CB 4.36Å; A555-A584 HydrophobicContact CB-CB 4.17Å; L557-A584 HydrophobicContact CB-CB 4.09Å; A580-A584 PolarHBondContact O-N 3.46Å; K581-A584 PolarHBondContact O-N 2.94Å; A584-L587 PolarHBondContact O-N 3.31Å; A584-A588 WeakPolarHBondContact O-CB 3.33Å; A584-A588 PolarHBondContact O-N 2.91Å
585A87.8Confident86.1Confident0 Ų044.5 Ų44.50%022%0.216CC..Hα-helixtrans-67.9-39.3177.400000113.1L517 L520 K581 M582 A588 C589L517-A585 HydrophobicContact CD2-CB 3.67Å; L517-A585 HydrophobicContact CG-CB 4.05Å; L520-A585 HydrophobicContact CB-CB 4.42Å; L520-A585 HydrophobicContact CD2-CB 3.68Å; K581-A585 VanDerWaalsContact O-CB 3.3Å; K581-A585 WeakPolarHBondContact O-CB 3.37Å; K581-A585 PolarHBondContact O-N 3.36Å; M582-A585 PolarHBondContact O-N 3.02Å; A585-A588 PolarHBondContact O-N 3Å; A585-C589 PolarHBondContact O-N 3.46Å; A585-C589 PolarHBondContact O-SG 3.01Å
586L89.5Confident86.2Confident13 Ų1342.1 Ų42.17%0.06821%0.205CC..Hα-helixtrans-64.1-43.2175.6178.259.6000110.7L491 V511 L513 M582 C589 K590L491-L586 HydrophobicContact CB-CD2 4.29Å; V511-L586 HydrophobicContact CB-CD1 4.14Å; V511-L586 HydrophobicContact CG1-CD1 3.88Å; V511-L586 VanDerWaalsContact O-CD1 3.28Å; V511-L586 WeakPolarHBondContact O-CD1 3.47Å; L513-L586 HydrophobicContact CB-CD2 4.48Å; L513-L586 HydrophobicContact CD1-CB 4.4Å; L513-L586 HydrophobicContact CD1-CD2 4.07Å; M582-L586 WeakPolarHBondContact O-CB 3.47Å; M582-L586 PolarHBondContact O-N 3.41Å; L586-C589 PolarHBondContact O-N 3.22Å; L586-K590 WeakPolarHBondContact O-CB 3.45Å; L586-K590 PolarHBondContact O-N 3.38Å; L586-K590 VanDerWaalsContact O-N 3.1Å
587L92.1Very high86.4Confident66 Ų6640.3 Ų40.335%0.34620%0.196SC..Hα-helixtrans-65.9-38.8175.1-154.8155.1000111.1I569 A583 A584 K590 I591I569-L587 HydrophobicContact CG2-CB 4.45Å; I569-L587 HydrophobicContact CG2-CD2 3.64Å; A583-L587 WeakPolarHBondContact O-CB 3.33Å; A583-L587 PolarHBondContact O-N 2.74Å; A583-L587 VanDerWaalsContact O-N 3.12Å; A584-L587 PolarHBondContact O-N 3.31Å; L587-K590 PolarHBondContact O-N 3.25Å; L587-I591 HydrophobicContact CD2-CD1 3.59Å; L587-I591 HydrophobicContact CD2-CG1 4.25Å; L587-I591 WeakPolarHBondContact O-CG1 3.15Å; L587-I591 PolarHBondContact O-N 2.87Å; L587-I591 VanDerWaalsContact O-N 3.08Å
588A91.2Very high86.7Confident0 Ų037.8 Ų37.80%018%0.184CC..Hα-helixtrans-63.1-47173.600000112.7L520 L557 I569 A584 A585 K590 I591 L592L520-A588 HydrophobicContact CD1-CB 4.26Å; L557-A588 HydrophobicContact CD1-CB 3.78Å; L557-A588 HydrophobicContact CD2-CB 4.09Å; I569-A588 HydrophobicContact CD1-CB 3.8Å; I569-A588 HydrophobicContact CG2-CB 4.3Å; A584-A588 WeakPolarHBondContact O-CB 3.33Å; A584-A588 PolarHBondContact O-N 2.91Å; A585-A588 PolarHBondContact O-N 3Å; A588-K590 VanDerWaalsContact C-N 3.27Å; A588-K590 PolarHBondContact O-N 2.95Å; A588-I591 PolarHBondContact O-N 3.35Å; A588-L592 WeakPolarHBondContact O-CG 3.33Å; A588-L592 PolarHBondContact O-N 2.97Å
589C89.8Confident87.2Confident0 Ų034.5 Ų34.50%017%0.174CC..Hα-helixtrans-57.3-41.9175.6-64.90000111.4V511 A585 L586 I591 L592 H593 L598V511-C589 HydrophobicContact CG1-CB 4.31Å; A585-C589 PolarHBondContact O-N 3.46Å; A585-C589 PolarHBondContact O-SG 3.01Å; L586-C589 PolarHBondContact O-N 3.22Å; C589-I591 VanDerWaalsContact C-N 3.32Å; C589-I591 PolarHBondContact O-N 3.35Å; C589-L592 PolarHBondContact O-N 3.41Å; C589-H593 WeakPolarHBondContact O-CB 3.43Å; C589-H593 PolarHBondContact O-N 3.41Å; C589-L598 HydrophobicContact CB-CD1 4.22Å
590K91.7Very high87.1Confident100 Ų10037.7 Ų37.744%0.43519%0.192SC..Hα-helixtrans-63.9-30.4175.8-179.9172.5-178.61760113.9Y494 L586 L587 A588 K594Y494-K590 HydrophobicContact CD1-CB 3.85Å; Y494-K590 HydrophobicContact CD1-CG 4.14Å; Y494-K590 HydrophobicContact CD2-CB 4.37Å; Y494-K590 HydrophobicContact CD2-CD 3.86Å; Y494-K590 HydrophobicContact CD2-CG 3.86Å; Y494-K590 HydrophobicContact CE1-CB 4.07Å; Y494-K590 HydrophobicContact CE1-CG 4.1Å; Y494-K590 HydrophobicContact CE2-CD 4.22Å; Y494-K590 HydrophobicContact CE2-CG 3.86Å; Y494-K590 HydrophobicContact CG-CB 4.01Å; Y494-K590 HydrophobicContact CG-CD 4.2Å; Y494-K590 HydrophobicContact CG-CG 4.03Å; L586-K590 WeakPolarHBondContact O-CB 3.45Å; L586-K590 PolarHBondContact O-N 3.38Å; L586-K590 VanDerWaalsContact O-N 3.1Å; L587-K590 PolarHBondContact O-N 3.25Å; A588-K590 VanDerWaalsContact C-N 3.27Å; A588-K590 PolarHBondContact O-N 2.95Å; K590-K594 WeakPolarHBondContact O-CG 3.38Å
591I90.6Very high86.8Confident54 Ų5443.2 Ų43.228%0.27722%0.217SC..Hα-helixtrans-80.8-42.6173.6-62.2171.1000110.9L565 I569 L587 A588 C589 H593 K594 H595L565-I591 HydrophobicContact CD1-CG2 4.07Å; L565-I591 HydrophobicContact CD2-CB 4.2Å; L565-I591 HydrophobicContact CD2-CG2 3.52Å; L565-I591 HydrophobicContact CG-CG2 4.46Å; I569-I591 HydrophobicContact CD1-CD1 4.25Å; I569-I591 HydrophobicContact CG2-CD1 4.21Å; L587-I591 HydrophobicContact CD2-CD1 3.59Å; L587-I591 HydrophobicContact CD2-CG1 4.25Å; L587-I591 WeakPolarHBondContact O-CG1 3.15Å; L587-I591 PolarHBondContact O-N 2.87Å; L587-I591 VanDerWaalsContact O-N 3.08Å; A588-I591 PolarHBondContact O-N 3.35Å; C589-I591 VanDerWaalsContact C-N 3.32Å; C589-I591 PolarHBondContact O-N 3.35Å; I591-H593 PolarHBondContact O-N 3.08Å; I591-K594 CarbonylContact O-C 3.59Å; I591-K594 WeakPolarHBondContact O-CA 3.4Å; I591-K594 WeakPolarHBondContact O-CB 3.45Å; I591-K594 PolarHBondContact O-N 2.92Å; I591-K594 VanDerWaalsContact O-N 3.11Å; I591-H595 PolarHBondContact O-N 3.24Å
592L89.2Confident86.5Confident0 Ų040.4 Ų40.40%021%0.205CC..Hα-helixtrans-61.4-42.5179.6-72.2168.5000112.6L520 Y523 L559 L565 A588 C589 H595 G596 E597 L598L520-L592 HydrophobicContact CD1-CD1 4.36Å; Y523-L592 HydrophobicContact CD1-CD1 3.62Å; Y523-L592 HydrophobicContact CD1-CD2 4.28Å; Y523-L592 HydrophobicContact CE1-CD1 3.83Å; Y523-L592 HydrophobicContact CE1-CD2 3.61Å; Y523-L592 HydrophobicContact CE1-CG 4.37Å; Y523-L592 HydrophobicContact CG-CD1 4.23Å; L559-L592 HydrophobicContact CD1-CD2 4.12Å; L565-L592 HydrophobicContact CB-CD2 4.4Å; L565-L592 HydrophobicContact CD2-CD2 3.93Å; L565-L592 HydrophobicContact CD2-CG 4.31Å; A588-L592 WeakPolarHBondContact O-CG 3.33Å; A588-L592 PolarHBondContact O-N 2.97Å; C589-L592 PolarHBondContact O-N 3.41Å; L592-H595 CarbonylContact O-C 3.4Å; L592-H595 PolarHBondContact O-N 2.81Å; L592-H595 VanDerWaalsContact O-N 3.08Å; L592-G596 PolarHBondContact O-N 2.93Å; L592-E597 HydrophobicContact CB-CB 4.43Å; L592-E597 HydrophobicContact CD2-CB 4.1Å; L592-E597 PolarHBondContact O-N 3.43Å; L592-L598 HydrophobicContact CB-CD1 4.02Å; L592-L598 HydrophobicContact CB-CG 4.04Å; L592-L598 PolarHBondContact O-N 2.91Å
593H88.4Confident86.2Confident23 Ų2342.6 Ų42.611%0.10622%0.217CC..Hα-helixtrans-60.8-44.2171.6-178.3-112.3000111.6Y494 C589 I591 H595 G596 L598 S599 D600 M602Y494-H593 HydrophobicContact CE1-CB 4Å; Y494-H593 AromaticContact CE1-ND1 3.58Å; Y494-H593 AromaticContact CZ-ND1 3.63Å; Y494-H593 PolarHBondContact OH-ND1 3Å; C589-H593 WeakPolarHBondContact O-CB 3.43Å; C589-H593 PolarHBondContact O-N 3.41Å; I591-H593 PolarHBondContact O-N 3.08Å; H593-H595 PolarHBondContact O-N 3.21Å; H593-G596 PolarHBondContact O-N 3.17Å; H593-L598 HydrophobicContact CB-CB 4.17Å; H593-S599 PolarHBondContact CD2-O 2.79Å; H593-D600 IonicContact NE2-OD1 2.64Å; H593-M602 HydrophobicContact CB-CE 4.43Å; H593-M602 HydrophobicContact CB-SD 4.21Å
594K87.9Confident85.6Confident153 Ų15344 Ų4467%0.66523%0.226SC*.THydrogen-bonded Turntrans-67.6-9172.9-76.2-172.1169.6-152.40115K590 I591K590-K594 WeakPolarHBondContact O-CG 3.38Å; I591-K594 CarbonylContact O-C 3.59Å; I591-K594 WeakPolarHBondContact O-CA 3.4Å; I591-K594 WeakPolarHBondContact O-CB 3.45Å; I591-K594 PolarHBondContact O-N 2.92Å; I591-K594 VanDerWaalsContact O-N 3.11Å
595H83.2Confident84.6Confident112 Ų11244.8 Ų44.852%0.51923%0.233SC..THydrogen-bonded Turntrans-99.8-3.3170.9-10036.1000113I591 L592 H593 E597I591-H595 PolarHBondContact O-N 3.24Å; L592-H595 CarbonylContact O-C 3.4Å; L592-H595 PolarHBondContact O-N 2.81Å; L592-H595 VanDerWaalsContact O-N 3.08Å; H593-H595 PolarHBondContact O-N 3.21Å; H595-E597 VanDerWaalsContact C-N 3.26Å; H595-E597 HydrophobicContact CB-CG 4.41Å; H595-E597 PolarHBondContact O-N 3.13Å
596G82.9Confident83.2Confident36 Ų3647.9 Ų47.937%0.37125%0.254SS..THydrogen-bonded Turntrans69.622.1-174.800000114L592 H593 K607L592-G596 PolarHBondContact O-N 2.93Å; H593-G596 PolarHBondContact O-N 3.17Å; G596-K607 PolarHBondContact O-NZ 2.84Å
597E84Confident81.6Confident9 Ų952.6 Ų52.64%0.04227%0.274CS..SBendtrans-91.2-27.2173.4-75.4-64.110400112Y523 L592 H595 A605 K607 Y608Y523-E597 HydrophobicContact CE2-CB 3.77Å; Y523-E597 HydrophobicContact CE2-CG 4.46Å; Y523-E597 PolarHBondContact OH-OE2 2.93Å; L592-E597 HydrophobicContact CB-CB 4.43Å; L592-E597 HydrophobicContact CD2-CB 4.1Å; L592-E597 PolarHBondContact O-N 3.43Å; H595-E597 VanDerWaalsContact C-N 3.26Å; H595-E597 HydrophobicContact CB-CG 4.41Å; H595-E597 PolarHBondContact O-N 3.13Å; E597-A605 PolarHBondContact O-N 3.31Å; E597-K607 IonicContact OE1-NZ 2.73Å; E597-Y608 PolarHBondContact OE1-OH 3.32Å; E597-Y608 WeakPolarHBondContact OE2-CE2 3.38Å; E597-Y608 PolarHBondContact OE2-OH 3.35Å
598L84.2Confident79.6Confident4 Ų449.9 Ų49.92%0.02126%0.259CS..BIsolated β-bridgetrans-103.5137.6158.8-63.1172.3000108.8V519 Y523 C589 L592 H593 L603V519-L598 HydrophobicContact CG1-CD1 3.98Å; V519-L598 HydrophobicContact CG1-CD2 4.34Å; Y523-L598 HydrophobicContact CD2-CD2 4.27Å; Y523-L598 HydrophobicContact CG-CD2 4.44Å; C589-L598 HydrophobicContact CB-CD1 4.22Å; L592-L598 HydrophobicContact CB-CD1 4.02Å; L592-L598 HydrophobicContact CB-CG 4.04Å; L592-L598 PolarHBondContact O-N 2.91Å; H593-L598 HydrophobicContact CB-CB 4.17Å; L598-L603 CarbonylContact C-O 3.57Å; L598-L603 WeakPolarHBondContact CA-O 3.47Å
599S82Confident77.2Confident40 Ų4054 Ų5428%0.2829%0.285SS..  trans-70.3167.916959.70000112.3H593 H601 M602 L603H593-S599 PolarHBondContact CD2-O 2.79Å; S599-H601 PolarHBondContact O-N 2.95Å; S599-M602 WeakPolarHBondContact O-CA 3.23Å; S599-M602 PolarHBondContact O-N 3.4Å; S599-L603 PolarHBondContact N-O 3.03Å; S599-L603 PolarHBondContact OG-N 3.3Å; S599-L603 PolarHBondContact OG-O 3.45Å
600D81.1Confident74.8Confident83 Ų8359.7 Ų59.744%0.44431%0.312SS..THydrogen-bonded Turntrans-56.6-20.5175.8-65.1-34.1000113.9P497 V499 S509 H593 M602P497-D600 HydrophobicContact CG-CB 3.74Å; P497-D600 WeakPolarHBondContact CG-OD1 3.49Å; V499-D600 HydrophobicContact CG2-CB 4.25Å; S509-D600 VanDerWaalsContact CB-O 3.26Å; S509-D600 WeakPolarHBondContact CB-O 3.34Å; S509-D600 PolarHBondContact OG-O 2.98Å; H593-D600 IonicContact NE2-OD1 2.64Å; D600-M602 VanDerWaalsContact C-N 3.31Å
601H80.3Confident72.3Confident116 Ų11656.9 Ų56.954%0.53731%0.307SS..THydrogen-bonded Turntrans-866.6173-64.1-57.1000114.2S599 L603S599-H601 PolarHBondContact O-N 2.95Å; H601-L603 HydrophobicContact CB-CD1 4.41Å; H601-L603 HydrophobicContact CB-CG 4.35Å; H601-L603 PolarHBondContact O-N 3.49Å
602M76.7Confident69.7Low13 Ų1359.1 Ų59.16%0.06432%0.323CS..SBendtrans58.223.3-173.8-55.4-70.916100113.8Y494 S509 V511 V519 H593 S599 D600Y494-M602 HydrophobicContact CD1-CE 4.04Å; Y494-M602 HydrophobicContact CD1-SD 4.43Å; Y494-M602 HydrophobicContact CE1-CE 3.74Å; Y494-M602 HydrophobicContact CE1-SD 4.37Å; S509-M602 WeakPolarHBondContact OG-CG 3.47Å; V511-M602 HydrophobicContact CG2-CB 3.95Å; V511-M602 HydrophobicContact CG2-CG 3.61Å; V511-M602 HydrophobicContact CG2-SD 3.74Å; V519-M602 WeakPolarHBondContact CG1-O 3.23Å; H593-M602 HydrophobicContact CB-CE 4.43Å; H593-M602 HydrophobicContact CB-SD 4.21Å; S599-M602 WeakPolarHBondContact O-CA 3.23Å; S599-M602 PolarHBondContact O-N 3.4Å; D600-M602 VanDerWaalsContact C-N 3.31Å
603L77.2Confident67.1Low71 Ų7162.6 Ų62.637%0.37235%0.351SS..SBendtrans-96.2153.3169-62.5177.1000109.6L598 S599 H601L598-L603 CarbonylContact C-O 3.57Å; L598-L603 WeakPolarHBondContact CA-O 3.47Å; S599-L603 PolarHBondContact N-O 3.03Å; S599-L603 PolarHBondContact OG-N 3.3Å; S599-L603 PolarHBondContact OG-O 3.45Å; H601-L603 HydrophobicContact CB-CD1 4.41Å; H601-L603 HydrophobicContact CB-CG 4.35Å; H601-L603 PolarHBondContact O-N 3.49Å
604P76.7Confident64.4Low30 Ų3061.5 Ų61.520%0.19535%0.347CS..BIsolated β-bridgetrans-54.4141.4172.2-23.534.7000111.8R522 Y523 S526R522-P604 HydrophobicContact CG-CG 4.46Å; Y523-P604 HydrophobicContact CD2-CB 4.36Å; S526-P604 WeakPolarHBondContact OG-CB 3.34Å; S526-P604 VanDerWaalsContact OG-CG 3.25Å; S526-P604 WeakPolarHBondContact OG-CG 3.45Å
605A70.8Confident61.7Low18 Ų1860.2 Ų60.215%0.14935%0.347CS..PPolyproline II helixtrans-62.7137.8173.700000110.7E597 K607E597-A605 PolarHBondContact O-N 3.31Å; A605-K607 HydrophobicContact CB-CD 4.34Å; A605-K607 HydrophobicContact CB-CG 4.34Å; A605-K607 PolarHBondContact O-N 3.26Å
606S58.1Low59.3Low64 Ų6463.1 Ų63.145%0.44836%0.361SS..THydrogen-bonded Turntrans-65.9-8.6-169.269.90000115.6Y608 T609 E610S606-Y608 PolarHBondContact O-N 2.98Å; S606-T609 PolarHBondContact O-N 3.45Å; S606-T609 PolarHBondContact O-OG1 2.96Å; S606-E610 WeakPolarHBondContact CB-OE1 3.37Å; S606-E610 PolarHBondContact O-N 2.76Å; S606-E610 PolarHBondContact OG-OE1 3.19Å
607K55.5Low56.9Low112 Ų11264 Ų6449%0.48736%0.361SS..THydrogen-bonded Turntrans-42.6-28.1178.3-62.3174.1-176.3161.30115.1G596 E597 A605G596-K607 PolarHBondContact O-NZ 2.84Å; E597-K607 IonicContact OE1-NZ 2.73Å; A605-K607 HydrophobicContact CB-CD 4.34Å; A605-K607 HydrophobicContact CB-CG 4.34Å; A605-K607 PolarHBondContact O-N 3.26Å
608Y49.6Very low54.3Low9 Ų970.6 Ų70.64%0.03539%0.386CS..THydrogen-bonded Turntrans-104.1-32.5-176.6-50.3-60.7000113.1S526 L527 P528 E597 S606 A611 V612S526-Y608 WeakPolarHBondContact O-CB 3.4Å; L527-Y608 HydrophobicContact CD2-CE2 4.48Å; P528-Y608 HydrophobicContact CG-CD1 3.61Å; P528-Y608 HydrophobicContact CG-CE1 4.09Å; P528-Y608 HydrophobicContact CG-CG 4.33Å; E597-Y608 PolarHBondContact OE1-OH 3.32Å; E597-Y608 WeakPolarHBondContact OE2-CE2 3.38Å; E597-Y608 PolarHBondContact OE2-OH 3.35Å; S606-Y608 PolarHBondContact O-N 2.98Å; Y608-A611 PolarHBondContact O-N 3.07Å; Y608-V612 PolarHBondContact O-N 2.84Å; Y608-V612 VanDerWaalsContact O-N 3.16Å
609T41.5Very low51.7Low88 Ų8878.9 Ų78.954%0.5442%0.424SS..Hα-helixtrans-71.6-31.4-178.935.90000113.7S606 A611 A613S606-T609 PolarHBondContact O-N 3.45Å; S606-T609 PolarHBondContact O-OG1 2.96Å; T609-A611 VanDerWaalsContact C-N 3.31Å; T609-A613 WeakPolarHBondContact O-CB 3.4Å; T609-A613 PolarHBondContact O-N 3.24Å
610E39.2Very low49.1Very low119 Ų11981.6 Ų81.656%0.55644%0.436SS*.Hα-helixtrans-79.8-14.4176.5-69.2169.9-13100113S606 R618S606-E610 WeakPolarHBondContact CB-OE1 3.37Å; S606-E610 PolarHBondContact O-N 2.76Å; S606-E610 PolarHBondContact OG-OE1 3.19Å; E610-R618 PolarHBondContact O-NH1 3.21Å
611A38.2Very low46.5Very low41 Ų4183.6 Ų83.634%0.33945%0.446SS..Hα-helixtrans-84.9-50.5173.400000111.4Y608 T609 A613 G614 D615Y608-A611 PolarHBondContact O-N 3.07Å; T609-A611 VanDerWaalsContact C-N 3.31Å; A611-A613 VanDerWaalsContact C-N 3.33Å; A611-A613 PolarHBondContact O-N 3.37Å; A611-G614 CarbonylContact O-C 3.6Å; A611-G614 VanDerWaalsContact O-CA 3.25Å; A611-G614 WeakPolarHBondContact O-CA 3.38Å; A611-G614 PolarHBondContact O-N 3.45Å; A611-D615 PolarHBondContact O-N 2.89Å
612V36.5Very low44.1Very low100 Ų10085.5 Ų85.561%0.60646%0.46SS*.Hα-helixtrans-67.6-30.9-178.7179.90000112.7Y608Y608-V612 PolarHBondContact O-N 2.84Å; Y608-V612 VanDerWaalsContact O-N 3.16Å
613A34.6Very low41.6Very low73 Ų7387.6 Ų87.660%0.60347%0.47SS*.Hα-helixtrans-74.8-16168.600000113.1T609 A611 S617T609-A613 WeakPolarHBondContact O-CB 3.4Å; T609-A613 PolarHBondContact O-N 3.24Å; A611-A613 VanDerWaalsContact C-N 3.33Å; A611-A613 PolarHBondContact O-N 3.37Å; A613-S617 PolarHBondContact O-OG 2.92Å
614G31.3Very low39.1Very low1 Ų191.4 Ų91.41%0.0149%0.486CS..Hα-helixtrans-89.7-44.1179.300000113.8A611 E616 S617 R618A611-G614 CarbonylContact O-C 3.6Å; A611-G614 VanDerWaalsContact O-CA 3.25Å; A611-G614 WeakPolarHBondContact O-CA 3.38Å; A611-G614 PolarHBondContact O-N 3.45Å; G614-E616 VanDerWaalsContact C-N 3.32Å; G614-E616 PolarHBondContact O-N 3.39Å; G614-S617 CarbonylContact O-C 3.58Å; G614-S617 PolarHBondContact O-N 3.24Å; G614-S617 PolarHBondContact O-OG 2.68Å; G614-R618 VanDerWaalsContact O-CB 3.27Å; G614-R618 WeakPolarHBondContact O-CB 3.26Å; G614-R618 WeakPolarHBondContact O-CG 3.39Å; G614-R618 PolarHBondContact O-N 3.37Å
615D32.2Very low36.4Very low125 Ų12599.9 Ų99.967%0.66852%0.52SS*.Hα-helixtrans-65.9-29.4-170.4-74.1-15.8000113.7A611 S617A611-D615 PolarHBondContact O-N 2.89Å; D615-S617 VanDerWaalsContact C-N 3.32Å
616E33.5Very low34.2Very low173 Ų173103.3 Ų103.381%0.80854%0.539SS*.THydrogen-bonded Turntrans-87.610.5170.8-66.9-166.2165.100113.8G614G614-E616 VanDerWaalsContact C-N 3.32Å; G614-E616 PolarHBondContact O-N 3.39Å
617S31.5Very low32.5Very low54 Ų54108.1 Ų108.138%0.37856%0.555SS.*THydrogen-bonded Turntrans-139.1-14.1178.463.20000116.4A613 G614 D615A613-S617 PolarHBondContact O-OG 2.92Å; G614-S617 CarbonylContact O-C 3.58Å; G614-S617 PolarHBondContact O-N 3.24Å; G614-S617 PolarHBondContact O-OG 2.68Å; D615-S617 VanDerWaalsContact C-N 3.32Å
618R29.3Very low31Very low149 Ų149112.4 Ų112.456%0.56257%0.574SS**SBendtrans-110.3-0.3-171.7-65.3-176.5176.61381.1115.2E610 G614E610-R618 PolarHBondContact O-NH1 3.21Å; G614-R618 VanDerWaalsContact O-CB 3.27Å; G614-R618 WeakPolarHBondContact O-CB 3.26Å; G614-R618 WeakPolarHBondContact O-CG 3.39Å; G614-R618 PolarHBondContact O-N 3.37Å
619E29.1Very low29.8Very low178 Ų178116.3 Ų116.383%0.83260%0.598SS**SBendtrans-77.7-13.2158.7-66.1-163.314800111.7
620D28.5Very low28.9Very low96 Ų96121.8 Ų121.851%0.51362%0.617SS.*SBendtrans-99.4-8.5177.6-74.4-28.3000114.1D622 E623D620-D622 PolarHBondContact O-N 3.35Å; D620-E623 PolarHBondContact O-N 2.95Å
621D26.8Very low28.1Very low126 Ų126125.9 Ų125.967%0.67463%0.628SS**THydrogen-bonded Turntrans-70.7-0.3-172.8-100.4-21.9000114.9
622D28.3Very low27.4Very low155 Ų155132.5 Ų132.583%0.82965%0.649SS**THydrogen-bonded Turntrans-103.1-1.6167.3-100.6-35.7000113.1D620D620-D622 PolarHBondContact O-N 3.35Å
623E24.8Very low26.8Very low58 Ų58136.5 Ų136.527%0.27166%0.661SS.*SBendtrans-106.669172.7-65.2-133112.500111.5D620 F625 T1507 R1526D620-E623 PolarHBondContact O-N 2.95Å; E623-F625 PolarHBondContact O-N 3.38Å; E623-F625 VanDerWaalsContact O-N 3.15Å; E623-T1507 WeakPolarHBondContact OE2-CG2 3.28Å; E623-T1507 PolarHBondContact OE2-OG1 3.44Å; E623-R1526 WeakPolarHBondContact OE1-CB 3.4Å; E623-R1526 WeakPolarHBondContact OE1-CD 3.43Å; E623-R1526 WeakPolarHBondContact OE1-CG 3.4Å; E623-R1526 IonicContact OE1-CZ 3.62Å; E623-R1526 IonicContact OE1-NE 3.82Å; E623-R1526 PolarHBondContact OE1-NE 2.9Å
624E24.6Very low26.5Very low150 Ų150136.7 Ų136.770%0.70166%0.658SS**  trans-42.8117.1175.4-169.1-172.5-175.200112.7V626E624-V626 HydrophobicContact CB-CG2 4.16Å; E624-V626 VanDerWaalsContact CD-CG2 3.47Å; E624-V626 HydrophobicContact CG-CG2 3.61Å; E624-V626 PolarHBondContact O-N 3.34Å
625F21.1Very low26.4Very low208 Ų208141.6 Ų141.691%0.91269%0.692SS**  trans-79.162.6-174.5-146.5-83.4000111.8E623 E627E623-F625 PolarHBondContact O-N 3.38Å; E623-F625 VanDerWaalsContact O-N 3.15Å; F625-E627 PolarHBondContact O-N 2.93Å; F625-E627 VanDerWaalsContact O-N 3.11Å
626V23.1Very low26.4Very low91 Ų91138.4 Ų138.455%0.55269%0.689SS**  trans-69.8106.6-175.3-176.40000111.2E624E624-V626 HydrophobicContact CB-CG2 4.16Å; E624-V626 VanDerWaalsContact CD-CG2 3.47Å; E624-V626 HydrophobicContact CG-CG2 3.61Å; E624-V626 PolarHBondContact O-N 3.34Å
627E24Very low26.4Very low165 Ų165140.1 Ų140.177%0.77169%0.688SS**  trans-58.3138.6165.6-174.6172.5-138.200110.3F625 V629F625-E627 PolarHBondContact O-N 2.93Å; F625-E627 VanDerWaalsContact O-N 3.11Å; E627-V629 VanDerWaalsContact C-N 3.35Å; E627-V629 PolarHBondContact O-N 3.5Å
628F23.9Very low27Very low202 Ų202145.4 Ų145.489%0.88670%0.701SS**SBendtrans-6983.5-169.6-113.8-94.3000112.9
629V23.2Very low28Very low90 Ų90146.5 Ų146.555%0.54571%0.705SS.*  trans-126.2124.5169-177.60000108.5E627 R631E627-V629 VanDerWaalsContact C-N 3.35Å; E627-V629 PolarHBondContact O-N 3.5Å; V629-R631 HydrophobicContact CG1-CG 4.33Å; V629-R631 PolarHBondContact O-N 3.21Å
630E23.4Very low29.5Very low203 Ų203146.7 Ų146.795%0.94970%0.698SS**  trans-66.593.9178.3-65.4-176.5132.400111.2
631R21.9Very low31.5Very low206 Ų206144.6 Ų144.678%0.77769%0.685SS**  trans-129120.4168.5-75.2-176.1174.3169.20.1110.3V629 Q633V629-R631 HydrophobicContact CG1-CG 4.33Å; V629-R631 PolarHBondContact O-N 3.21Å; R631-Q633 PolarHBondContact O-N 3.41Å; R631-Q633 VanDerWaalsContact O-N 3.13Å
632K23.4Very low34Very low179 Ų179142.1 Ų142.178%0.77867%0.671SS**  trans-59.5110.6162.9-59.8173.6179.41790108
633Q25.2Very low36.6Very low184 Ų184136.8 Ų136.886%0.8664%0.641SS**  trans-156.8154.5160.3-118.2154.331.400112.8R631R631-Q633 PolarHBondContact O-N 3.41Å; R631-Q633 VanDerWaalsContact O-N 3.13Å
634S26.8Very low39.3Very low77 Ų77138.1 Ų138.154%0.53865%0.646SS.*  trans-87.1110.4-166.753.80000112.4G636S634-G636 PolarHBondContact O-N 2.86Å
635S29.4Very low42.1Very low105 Ų105133.5 Ų133.573%0.73462%0.623SS**SBendtrans-58.5119.116056.30000109.7
636G32.6Very low45.1Very low57 Ų57127 Ų12759%0.58860%0.595SS**  trans48.285.2170.800000115.9S634 Y638S634-G636 PolarHBondContact O-N 2.86Å; G636-Y638 PolarHBondContact O-N 2.63Å
637R34.8Very low47.8Very low209 Ų209124.4 Ų124.479%0.78958%0.579SS**  trans-65.780.6162.3-79.2-171.3178.3-172.3-1.6109.5R639R637-R639 PolarHBondContact O-N 3.47Å
638Y42.7Very low50.4Low166 Ų166117.3 Ų117.365%0.65155%0.547SS*.  trans-46.7127161-69.6-80000107.7G636 R640G636-Y638 PolarHBondContact O-N 2.63Å; Y638-R640 PolarHBondContact O-N 3.01Å
639R49.7Very low53.1Low172 Ų172109.7 Ų109.765%0.64952%0.522SS*.  trans-71.495.1-167.8-159.6174162.7129.9-1.2109.2R637 E641 D1253R637-R639 PolarHBondContact O-N 3.47Å; R639-E641 HydrophobicContact CB-CG 4.49Å; R639-E641 HydrophobicContact CG-CG 3.83Å; R639-E641 IonicContact CZ-OE1 3.13Å; R639-E641 IonicContact NE-OE1 3.72Å; R639-E641 PolarHBondContact NE-OE1 3.46Å; R639-E641 IonicContact NH2-OE1 3Å; R639-E641 PolarHBondContact NH2-OE1 2.88Å; R639-E641 PolarHBondContact O-N 3.15Å; R639-E641 VanDerWaalsContact O-N 3.08Å; R639-D1253 WeakPolarHBondContact CB-OD2 2.99Å
640R61.4Low55.7Low181 Ų181106.2 Ų106.268%0.68350%0.501SS*.EExtended strand (participates in β ladder)trans-75.589.5176.8-77.3-173.7-174.7-166.62.3108.1Y638 V1250Y638-R640 PolarHBondContact O-N 3.01Å; R640-V1250 HydrophobicContact CB-CG1 3.59Å; R640-V1250 HydrophobicContact CG-CG1 3.91Å
641E71.3Confident58.3Low53 Ų5397 Ų9725%0.24846%0.458CS..EExtended strand (participates in β ladder)trans-90.9140.7178.5-60.6-169.7135.700109.8R639 F643 K1197 V1251R639-E641 HydrophobicContact CB-CG 4.49Å; R639-E641 HydrophobicContact CG-CG 3.83Å; R639-E641 IonicContact CZ-OE1 3.13Å; R639-E641 IonicContact NE-OE1 3.72Å; R639-E641 PolarHBondContact NE-OE1 3.46Å; R639-E641 IonicContact NH2-OE1 3Å; R639-E641 PolarHBondContact NH2-OE1 2.88Å; R639-E641 PolarHBondContact O-N 3.15Å; R639-E641 VanDerWaalsContact O-N 3.08Å; E641-F643 HydrophobicContact CB-CD2 4.46Å; E641-F643 HydrophobicContact CB-CE2 3.6Å; E641-F643 HydrophobicContact CB-CZ 3.64Å; E641-F643 WeakPolarHBondContact O-CD2 3.14Å; E641-F643 WeakPolarHBondContact O-CE2 3.24Å; E641-K1197 IonicContact OE2-NZ 2.62Å; E641-K1197 PolarHBondContact OE2-NZ 2.87Å; E641-V1251 PolarHBondContact N-O 3.47Å; E641-V1251 PolarHBondContact O-N 3.22Å
642L79.3Confident61.1Low73 Ų7389.6 Ų89.638%0.38244%0.438SS..EExtended strand (participates in β ladder)trans-81.6127.8172.1-99.486.8000109.8L1243 R1248 H1249 V1250L642-L1243 HydrophobicContact CD1-CD1 4.18Å; L642-L1243 HydrophobicContact CD1-CD2 4.08Å; L642-L1243 HydrophobicContact CD2-CD2 4.02Å; L642-R1248 HydrophobicContact CD2-CB 4Å; L642-H1249 WeakPolarHBondContact CA-O 3.49Å; L642-V1250 HydrophobicContact CD1-CG2 3.8Å; L642-V1250 HydrophobicContact CG-CG2 4.15Å
643F82.2Confident63.8Low44 Ų4484.4 Ų84.419%0.19342%0.419CS..EExtended strand (participates in β ladder)trans-116.9143172.4-60.6-82.4000109.8E641 C1202 R1248 H1249 V1251E641-F643 HydrophobicContact CB-CD2 4.46Å; E641-F643 HydrophobicContact CB-CE2 3.6Å; E641-F643 HydrophobicContact CB-CZ 3.64Å; E641-F643 WeakPolarHBondContact O-CD2 3.14Å; E641-F643 WeakPolarHBondContact O-CE2 3.24Å; F643-C1202 HydrophobicContact CB-CB 4.23Å; F643-C1202 WeakPolarHBondContact CB-O 3.41Å; F643-C1202 HydrophobicContact CD1-CB 3.47Å; F643-C1202 VanDerWaalsContact CD1-CB 3.47Å; F643-C1202 HydrophobicContact CD2-CB 3.8Å; F643-C1202 HydrophobicContact CE1-CB 3.69Å; F643-C1202 HydrophobicContact CE2-CB 3.99Å; F643-C1202 HydrophobicContact CG-CB 3.53Å; F643-C1202 HydrophobicContact CZ-CB 3.96Å; F643-R1248 CarbonylContact O-C 3.56Å; F643-R1248 VanDerWaalsContact O-CA 3.25Å; F643-R1248 WeakPolarHBondContact O-CA 3.37Å; F643-R1248 WeakPolarHBondContact O-CB 3.35Å; F643-H1249 PolarHBondContact N-O 3.1Å; F643-H1249 PolarHBondContact O-N 3.31Å; F643-V1251 HydrophobicContact CD2-CB 3.81Å; F643-V1251 HydrophobicContact CD2-CG2 3.82Å; F643-V1251 HydrophobicContact CE2-CB 4.02Å
644K82.4Confident66.4Low86 Ų8680.7 Ų80.737%0.37440%0.397SS..EExtended strand (participates in β ladder)trans-76.1137169.6-173.3163.8177.8151.40109E763 G1203 E1247K644-E763 WeakPolarHBondContact CE-OE2 3.4Å; K644-E763 IonicContact NZ-OE1 2.6Å; K644-E763 PolarHBondContact NZ-OE1 3.13Å; K644-E763 IonicContact NZ-OE2 3.4Å; K644-E763 PolarHBondContact NZ-OE2 3.29Å; K644-G1203 WeakPolarHBondContact O-CA 3.25Å; K644-E1247 IonicContact NZ-OE2 3.73Å; K644-E1247 PolarHBondContact NZ-OE2 2.93Å
645K83.3Confident69.2Low53 Ų5377.3 Ų77.323%0.2337%0.373CS..  trans-67.1142.4177.9-67.2173.1-170.3159.60110.3V647 N1215 L1245 I1246 E1247 R1248K645-V647 PolarHBondContact O-N 3.23Å; K645-N1215 PolarHBondContact NZ-O 3.16Å; K645-L1245 PolarHBondContact NZ-O 2.94Å; K645-I1246 PolarHBondContact NZ-O 2.69Å; K645-E1247 WeakPolarHBondContact CB-O 3.15Å; K645-E1247 PolarHBondContact N-O 3.28Å; K645-R1248 WeakPolarHBondContact CE-O 3.2Å
646K83.7Confident71.9Confident71 Ų7176.5 Ų76.531%0.30936%0.36SS..  trans-80.3110.7-179.3172.957-180160.80110.4V928 E931 G1203 M1204K646-V928 HydrophobicContact CG-CG1 4.19Å; K646-E931 VanDerWaalsContact CE-CD 3.4Å; K646-E931 WeakPolarHBondContact CE-OE1 3.16Å; K646-E931 VanDerWaalsContact CE-OE2 3.3Å; K646-E931 WeakPolarHBondContact CE-OE2 3.34Å; K646-E931 VanDerWaalsContact NZ-CD 3.31Å; K646-E931 IonicContact NZ-OE1 3.32Å; K646-E931 PolarHBondContact NZ-OE1 2.68Å; K646-E931 IonicContact NZ-OE2 2.68Å; K646-E931 PolarHBondContact NZ-OE2 3.14Å; K646-G1203 WeakPolarHBondContact CB-O 3.29Å; K646-G1203 PolarHBondContact N-O 3.31Å; K646-M1204 HydrophobicContact CB-CG 4.04Å; K646-M1204 HydrophobicContact CG-CE 4.38Å; K646-M1204 HydrophobicContact CG-CG 4.08Å
647V79.7Confident74.3Confident36 Ų3675 Ų7522%0.21834%0.343CS..  trans-77.8133.7164.6-176.80000109K645 L651 V764K645-V647 PolarHBondContact O-N 3.23Å; V647-L651 HydrophobicContact CG1-CB 4.45Å; V647-V764 HydrophobicContact CG1-CG2 4.12Å; V647-V764 HydrophobicContact CG2-CG2 4.04Å
648P79Confident76.6Confident16 Ų1667.9 Ų67.910%0.10433%0.334CS..  trans-63.1137.9173.4-20.331.1000112.1C650 L651 S652 A927 V928 E931P648-C650 VanDerWaalsContact C-N 3.26Å; P648-C650 PolarHBondContact O-N 3.04Å; P648-C650 VanDerWaalsContact O-N 3.16Å; P648-L651 HydrophobicContact CB-CD1 4.43Å; P648-L651 HydrophobicContact CB-CG 4.35Å; P648-L651 HydrophobicContact CG-CD1 4.07Å; P648-L651 PolarHBondContact O-N 3.25Å; P648-S652 PolarHBondContact O-N 3.07Å; P648-A927 HydrophobicContact CB-CB 3.67Å; P648-A927 HydrophobicContact CG-CB 3.68Å; P648-V928 HydrophobicContact CG-CG2 3.76Å; P648-E931 WeakPolarHBondContact CA-OE2 3.42Å
649A79.3Confident78.7Confident43 Ų4362.1 Ų62.136%0.35532%0.316SS..Hα-helixtrans-55.2-37.6-17600000114L651 S652 E931A649-L651 PolarHBondContact O-N 3.19Å; A649-S652 PolarHBondContact O-N 2.88Å; A649-S652 PolarHBondContact O-OG 2.99Å; A649-E931 PolarHBondContact N-OE2 2.89Å
650C77.7Confident80.6Confident16 Ų1656.7 Ų56.711%0.10830%0.303CS..Hα-helixtrans-69.2-13.7179.458.70000114.6P648 E698P648-C650 VanDerWaalsContact C-N 3.26Å; P648-C650 PolarHBondContact O-N 3.04Å; P648-C650 VanDerWaalsContact O-N 3.16Å; C650-E698 HydrophobicContact CB-CB 3.9Å
651L78.6Confident82Confident11 Ų1148 Ų486%0.05827%0.27CS..Hα-helixtrans-105.3-14179.6-59.7-174.9000113.7V647 P648 A649 L700 P765 F766V647-L651 HydrophobicContact CG1-CB 4.45Å; P648-L651 HydrophobicContact CB-CD1 4.43Å; P648-L651 HydrophobicContact CB-CG 4.35Å; P648-L651 HydrophobicContact CG-CD1 4.07Å; P648-L651 PolarHBondContact O-N 3.25Å; A649-L651 PolarHBondContact O-N 3.19Å; L651-L700 HydrophobicContact CD2-CD1 4.42Å; L651-L700 HydrophobicContact CD2-CD2 4.22Å; L651-L700 HydrophobicContact CD2-CG 4.3Å; L651-P765 WeakPolarHBondContact O-CD 3.4Å; L651-F766 HydrophobicContact CB-CD1 4.05Å; L651-F766 HydrophobicContact CB-CE1 4.45Å; L651-F766 HydrophobicContact CD1-CD1 4.33Å; L651-F766 HydrophobicContact CD1-CE1 4.01Å; L651-F766 HydrophobicContact CD2-CD1 3.83Å; L651-F766 HydrophobicContact CD2-CE1 4.23Å; L651-F766 HydrophobicContact CD2-CG 4.29Å; L651-F766 HydrophobicContact CG-CD1 4.28Å; L651-F766 HydrophobicContact CG-CE1 4.46Å
652S79.6Confident82.9Confident50 Ų5047.8 Ų47.835%0.3527%0.268SS..Hα-helixtrans-85.3-10.3178.747.60000114.8P648 A649 E763P648-S652 PolarHBondContact O-N 3.07Å; A649-S652 PolarHBondContact O-N 2.88Å; A649-S652 PolarHBondContact O-OG 2.99Å; S652-E763 WeakPolarHBondContact CA-O 3.46Å
653N80.3Confident83.3Confident70 Ų7044.5 Ų44.537%0.37425%0.251SS..SBendtrans-90.6124.1-175-76-23.3000112.1R697 E698N653-R697 HydrophobicContact CB-CB 3.84Å; N653-R697 HydrophobicContact CB-CG 3.91Å; N653-R697 WeakPolarHBondContact O-CB 3.28Å; N653-E698 PolarHBondContact ND2-OE1 2.89Å
654R81.4Confident83.4Confident106 Ų10642.4 Ų42.440%0.424%0.242SC..PPolyproline II helixtrans-61.4143.9-176.4-69.7-169.6-166.7-153.91.9113.8R697 D760 P765R654-R697 WeakPolarHBondContact O-CD 3.44Å; R654-R697 WeakPolarHBondContact O-CG 3.4Å; R654-D760 PolarHBondContact NH1-O 3.43Å; R654-D760 IonicContact NH1-OD1 3.37Å; R654-D760 PolarHBondContact NH2-O 2.93Å; R654-P765 HydrophobicContact CB-CG 4.31Å; R654-P765 HydrophobicContact CG-CB 4.02Å; R654-P765 HydrophobicContact CG-CG 3.77Å
655L85.7Confident83.6Confident6 Ų639.2 Ų39.23%0.03123%0.229CC..PPolyproline II helixtrans-77.7120.8167.5-56.5175.1000109.9L661 L695 R697 L733 Y767L655-L661 HydrophobicContact CD2-CD1 4.25Å; L655-L661 HydrophobicContact CD2-CD2 3.84Å; L655-L661 HydrophobicContact CD2-CG 4.49Å; L655-L695 HydrophobicContact CD1-CD2 4.23Å; L655-L695 HydrophobicContact CD1-CG 4.27Å; L655-L695 HydrophobicContact CD2-CG 4.44Å; L655-R697 HydrophobicContact CD2-CB 4.33Å; L655-L733 HydrophobicContact CB-CD2 4.32Å; L655-Y767 HydrophobicContact CD1-CD1 3.7Å; L655-Y767 HydrophobicContact CD1-CD2 3.59Å; L655-Y767 HydrophobicContact CD1-CE1 3.89Å; L655-Y767 HydrophobicContact CD1-CE2 3.82Å; L655-Y767 HydrophobicContact CD1-CG 3.51Å
656N85.2Confident83.3Confident87 Ų8737 Ų3747%0.46522%0.219SC..  trans-122145.7176.7-65-10.1000109.4V659N656-V659 HydrophobicContact CB-CG2 3.83Å
657A83.8Confident83Confident27 Ų2737.3 Ų37.322%0.22322%0.221CC..THydrogen-bonded Turntrans-66.9151.9176.400000113.2V659 L728 D730 L733A657-V659 VanDerWaalsContact O-CG2 3.3Å; A657-V659 WeakPolarHBondContact O-CG2 3.45Å; A657-V659 PolarHBondContact O-N 2.76Å; A657-V659 VanDerWaalsContact O-N 3.17Å; A657-L728 WeakPolarHBondContact CA-O 3.43Å; A657-D730 HydrophobicContact CB-CB 4.25Å; A657-D730 WeakPolarHBondContact CB-OD1 3.45Å; A657-L733 HydrophobicContact CB-CD1 3.88Å
658G81.5Confident82.5Confident59 Ų5938.4 Ų38.461%0.60823%0.225SC*.THydrogen-bonded Turntrans70.92.1177.200000115.6L728G658-L728 PolarHBondContact N-O 3.49Å
659V87.5Confident81.9Confident45 Ų4540.1 Ų40.127%0.27324%0.238SC..SBendtrans-112.5145.5178.8-138.50000109.5N656 A657 L661 R697N656-V659 HydrophobicContact CB-CG2 3.83Å; A657-V659 VanDerWaalsContact O-CG2 3.3Å; A657-V659 WeakPolarHBondContact O-CG2 3.45Å; A657-V659 PolarHBondContact O-N 2.76Å; A657-V659 VanDerWaalsContact O-N 3.17Å; V659-L661 WeakPolarHBondContact O-CG 3.32Å; V659-L661 PolarHBondContact O-N 2.83Å; V659-R697 VanDerWaalsContact CG1-NH2 3.33Å
660P90.2Very high81Confident57 Ų5740.8 Ų40.837%0.3724%0.238SC..  trans-61.5127.4-175.5-25.835.7000112.7R697 P725 L727P660-R697 PolarHBondContact O-NH1 3.27Å; P660-P725 HydrophobicContact CB-CB 3.82Å; P660-P725 HydrophobicContact CB-CG 4.08Å; P660-L727 HydrophobicContact CG-CD2 4.13Å
661L90.5Very high79.7Confident0 Ų041.8 Ų41.80%025%0.247CC..BIsolated β-bridgetrans-114.6149176.8-52-178.8000110L655 V659 L695 P725 V726 L728 L733L655-L661 HydrophobicContact CD2-CD1 4.25Å; L655-L661 HydrophobicContact CD2-CD2 3.84Å; L655-L661 HydrophobicContact CD2-CG 4.49Å; V659-L661 WeakPolarHBondContact O-CG 3.32Å; V659-L661 PolarHBondContact O-N 2.83Å; L661-L695 HydrophobicContact CB-CD1 3.76Å; L661-L695 HydrophobicContact CB-CG 4.49Å; L661-L695 HydrophobicContact CD1-CD1 4.22Å; L661-L695 HydrophobicContact CD1-CD2 4.19Å; L661-L695 HydrophobicContact CD1-CG 4.34Å; L661-P725 CarbonylContact O-C 3.54Å; L661-P725 WeakPolarHBondContact O-CA 3.42Å; L661-P725 VanDerWaalsContact O-CB 3.3Å; L661-P725 WeakPolarHBondContact O-CB 3.44Å; L661-V726 PolarHBondContact N-O 3.12Å; L661-V726 PolarHBondContact O-N 2.86Å; L661-L728 HydrophobicContact CD1-CD1 4.27Å; L661-L733 HydrophobicContact CD1-CD1 4.41Å; L661-L733 HydrophobicContact CD1-CD2 3.92Å
662F89.3Confident78.2Confident47 Ų4745 Ų4521%0.20626%0.263CS..EExtended strand (participates in β ladder)trans-107.7143-176.6-63.9-91.9000110.8L695 S696 R697 P699 P725F662-L695 WeakPolarHBondContact O-CA 3.42Å; F662-S696 PolarHBondContact N-O 2.71Å; F662-S696 PolarHBondContact O-N 2.95Å; F662-S696 PolarHBondContact O-OG 2.78Å; F662-R697 WeakPolarHBondContact CD2-O 3.4Å; F662-P699 HydrophobicContact CB-CB 4.33Å; F662-P699 HydrophobicContact CD1-CB 3.85Å; F662-P699 HydrophobicContact CD1-CG 4.27Å; F662-P699 HydrophobicContact CE1-CB 4.38Å; F662-P699 HydrophobicContact CE1-CG 4.34Å; F662-P699 HydrophobicContact CG-CB 4.06Å; F662-P699 HydrophobicContact CG-CG 4.48Å; F662-P725 HydrophobicContact CD1-CB 4.15Å; F662-P725 HydrophobicContact CE1-CB 3.91Å; F662-P725 HydrophobicContact CE1-CG 4.41Å; F662-P725 HydrophobicContact CZ-CB 4.13Å
663L88.9Confident76.6Confident4 Ų446.4 Ų46.42%0.02127%0.273CS..EExtended strand (participates in β ladder)trans-114.9127-179.4-91.4160.1000109.6L694 L695 L722 V726 V769 L771 I781L663-L694 WeakPolarHBondContact CA-O 3.06Å; L663-L695 HydrophobicContact CD2-CB 4.39Å; L663-L695 HydrophobicContact CD2-CD1 4.18Å; L663-L695 HydrophobicContact CG-CD1 3.92Å; L663-L722 HydrophobicContact CB-CB 4.49Å; L663-L722 HydrophobicContact CB-CD1 3.9Å; L663-L722 HydrophobicContact CB-CG 4.36Å; L663-L722 WeakPolarHBondContact O-CB 3.42Å; L663-L722 WeakPolarHBondContact O-CG 3.42Å; L663-L722 PolarHBondContact O-N 2.83Å; L663-V726 HydrophobicContact CD1-CB 4.33Å; L663-V726 HydrophobicContact CD1-CG2 3.69Å; L663-V769 HydrophobicContact CD2-CG2 3.75Å; L663-L771 HydrophobicContact CD2-CD2 3.78Å; L663-I781 HydrophobicContact CD1-CD1 4.23Å; L663-I781 HydrophobicContact CD1-CG1 4.01Å; L663-I781 HydrophobicContact CD2-CG1 4.36Å
664C84.9Confident74.7Confident1 Ų146.8 Ų46.81%0.00728%0.275CS..EExtended strand (participates in β ladder)trans-113.2109.5174.5-1700000109.7G693 L694 L700 V720C664-G693 CarbonylContact O-C 3.58Å; C664-G693 WeakPolarHBondContact O-CA 3.42Å; C664-L694 HydrophobicContact CB-CB 4.37Å; C664-L694 PolarHBondContact N-O 3.09Å; C664-L694 PolarHBondContact O-N 3.12Å; C664-L700 HydrophobicContact CB-CB 4.31Å; C664-L700 HydrophobicContact CB-CD1 3.77Å; C664-V720 CarbonylContact C-O 3.59Å; C664-V720 WeakPolarHBondContact CA-O 3.07Å
665Q85.2Confident72.9Confident19 Ų1945.3 Ų45.39%0.08928%0.275CS..EExtended strand (participates in β ladder)trans-71.5131.5176.7-174.3-173.726.400109.9Q667 C719 V720 L722 L771 C779Q665-Q667 HydrophobicContact CG-CG 4.06Å; Q665-C719 WeakPolarHBondContact O-CA 3.33Å; Q665-V720 PolarHBondContact N-O 2.98Å; Q665-V720 PolarHBondContact O-N 2.85Å; Q665-L722 HydrophobicContact CB-CD2 4.41Å; Q665-L771 HydrophobicContact CB-CD1 4.17Å; Q665-L771 HydrophobicContact CG-CD1 4.2Å; Q665-C779 PolarHBondContact NE2-SG 2.85Å
666I78.5Confident70.7Confident5 Ų553.3 Ų53.33%0.02632%0.317CS..EExtended strand (participates in β ladder)trans-92.3106.3170.2-59.8175.8000107.7I668 F692 L694 V717 L921I666-I668 HydrophobicContact CG2-CD1 4.42Å; I666-I668 HydrophobicContact CG2-CG1 4.06Å; I666-F692 PolarHBondContact N-O 3.22Å; I666-L694 HydrophobicContact CD1-CD2 4.21Å; I666-L694 HydrophobicContact CD1-CG 4.33Å; I666-V717 HydrophobicContact CG2-CG1 3.65Å; I666-L921 HydrophobicContact CD1-CD1 4.19Å; I666-L921 HydrophobicContact CG2-CD1 3.83Å
667Q75.3Confident68.7Low78 Ų7852 Ų5236%0.36432%0.315SS..EExtended strand (participates in β ladder)trans-92.7124.2175.3-63-178.4-10.400109.4Q665 V717 K718 V720Q665-Q667 HydrophobicContact CG-CG 4.06Å; Q667-V717 WeakPolarHBondContact O-CA 3.24Å; Q667-K718 HydrophobicContact CB-CB 4.47Å; Q667-K718 PolarHBondContact N-O 3.23Å; Q667-K718 PolarHBondContact O-N 2.72Å; Q667-V720 HydrophobicContact CG-CG2 4.26Å
668I70.8Confident66.9Low59 Ų5956.1 Ų56.130%0.30334%0.34SS..EExtended strand (participates in β ladder)trans-113.6130.2-177.5-57.6-178.3000108.1I666 V715 V717 F917I666-I668 HydrophobicContact CG2-CD1 4.42Å; I666-I668 HydrophobicContact CG2-CG1 4.06Å; I668-V715 HydrophobicContact CG2-CG1 3.37Å; I668-V717 HydrophobicContact CG1-CG1 4.34Å; I668-V717 HydrophobicContact CG1-CG2 4.41Å; I668-F917 HydrophobicContact CD1-CD2 4.03Å; I668-F917 HydrophobicContact CD1-CE2 4.42Å
669S65.6Low65.1Low52 Ų5258.9 Ų58.936%0.36434%0.335SS..EExtended strand (participates in β ladder)trans-139117.3-17547.70000110.7Y716S669-Y716 PolarHBondContact N-O 3.42Å; S669-Y716 PolarHBondContact O-N 2.71Å; S669-Y716 PolarHBondContact OG-O 3.36Å
670V59.8Low62.8Low58 Ų5864.2 Ų64.235%0.35236%0.362SS..EExtended strand (participates in β ladder)trans-74134.1-179.5-175.30000109.5F684 E713 V715V670-F684 HydrophobicContact CG2-CB 4.47Å; V670-E713 HydrophobicContact CG1-CB 4.45Å; V670-V715 HydrophobicContact CG2-CG2 4.34Å
671A52.1Low60Low36 Ų3670.9 Ų70.930%0.29839%0.388SS..SBendtrans-75.8-52.5-174.700000112.7Q714 Y716A671-Q714 HydrophobicContact CB-CB 4.27Å; A671-Q714 HydrophobicContact CB-CG 4.38Å; A671-Q714 VanDerWaalsContact CB-O 3.25Å; A671-Q714 WeakPolarHBondContact CB-O 3.21Å; A671-Q714 PolarHBondContact N-O 2.84Å; A671-Y716 HydrophobicContact CB-CD2 3.69Å; A671-Y716 HydrophobicContact CB-CE2 3.44Å; A671-Y716 VanDerWaalsContact CB-CE2 3.44Å
672I47.3Very low57.5Low78 Ų7875.2 Ų75.240%0.441%0.411SS..  trans-153.7121.9-175.2-49.5176.8000106.7L674I672-L674 HydrophobicContact CB-CG 4.32Å; I672-L674 HydrophobicContact CG2-CD2 4.29Å; I672-L674 HydrophobicContact CG2-CG 4Å; I672-L674 PolarHBondContact O-N 3.48Å
673S44.8Very low55Low80 Ų8077.3 Ų77.356%0.55943%0.431SS*.  trans-73.5121.4165.2-87.10000109.7E713S673-E713 VanDerWaalsContact CA-OE1 3.23Å; S673-E713 WeakPolarHBondContact CA-OE1 3.37Å; S673-E713 VanDerWaalsContact CB-OE1 3.32Å; S673-E713 WeakPolarHBondContact CB-OE1 3.05Å; S673-E713 PolarHBondContact OG-OE1 3.34Å
674L40Very low52.8Low79 Ų7981.4 Ų81.441%0.41445%0.449SS..  trans-112.627.5-165.6-90.8169.6000113.2I672I672-L674 HydrophobicContact CB-CG 4.32Å; I672-L674 HydrophobicContact CG2-CD2 4.29Å; I672-L674 HydrophobicContact CG2-CG 4Å; I672-L674 PolarHBondContact O-N 3.48Å
675L44Very low50.5Low75 Ų7586.9 Ų86.939%0.39348%0.479SS..  trans-135.8104.2-173.9-77.6168.2000113.1S677L675-S677 PolarHBondContact O-N 3.41Å
676D39.5Very low48.6Very low173 Ų17390.9 Ų90.993%0.92550%0.504SS*.  trans-63.484.9151.7-68.3-51.6000108.9
677S43.7Very low46.9Very low60 Ų6093.4 Ų93.442%0.4253%0.532SS..  trans-89121.7173.5178.90000109.2L675 F679L675-S677 PolarHBondContact O-N 3.41Å; S677-F679 PolarHBondContact O-N 2.89Å
678P45.6Very low45.8Very low114 Ų11492.6 Ų92.674%0.7453%0.532SS*.SBendtrans-77.632.9-177.534.1-37.9000113.4
679F44.7Very low45.3Very low116 Ų11691.2 Ų91.251%0.50953%0.532SS..SBendtrans-139.9129.8178.1-60.7-76.2000107.9S677S677-F679 PolarHBondContact O-N 2.89Å
680D38Very low45.3Very low158 Ų15891.5 Ų91.585%0.84553%0.528SS*.  trans-41.1147.9-158.8-57.8-31.1000117.9L682D680-L682 PolarHBondContact O-N 3.48Å
681E31.4Very low45.9Very low197 Ų19790.1 Ų90.192%0.92152%0.52SS*.  trans-26.8107.8176-60.9177.1142.500115.3
682L38.5Very low47.2Very low90 Ų9089.3 Ų89.347%0.47151%0.509SS..  trans-127.687.1161.8-95.9163.3000108.5D680 V816 V837D680-L682 PolarHBondContact O-N 3.48Å; L682-V816 HydrophobicContact CD1-CG1 4.42Å; L682-V816 HydrophobicContact CD2-CG1 4.13Å; L682-V837 VanDerWaalsContact CD1-O 3.24Å; L682-V837 WeakPolarHBondContact CD1-O 3.32Å
683S37.1Very low48.9Very low92 Ų9285.6 Ų85.664%0.64349%0.49SS*.  trans-60143162.647.80000109.7D685S683-D685 PolarHBondContact O-N 3.32Å
684F41.5Very low50.8Low90 Ų9081.9 Ų81.940%0.39546%0.464SS..  trans-73.569.4164.6-85.5-82.3000109.8V670 T686 E713V670-F684 HydrophobicContact CG2-CB 4.47Å; F684-T686 PolarHBondContact O-N 3.04Å; F684-E713 WeakPolarHBondContact CE2-OE2 3.37Å
685D38Very low53.2Low116 Ų11678.1 Ų78.162%0.6244%0.444SS*.  trans-70.5108.6168.9-1747.2000109.3S683 G687S683-D685 PolarHBondContact O-N 3.32Å; D685-G687 PolarHBondContact O-N 3.01Å; D685-G687 VanDerWaalsContact O-N 3.15Å; D685-G687 WeakPolarHBondContact OD1-CA 3.46Å; D685-G687 PolarHBondContact OD1-N 3.46Å
686T44.8Very low55.3Low102 Ų10274.6 Ų74.663%0.62643%0.426SS*.THydrogen-bonded Turntrans-7618.1171.254.10000112.5F684 T688F684-T686 PolarHBondContact O-N 3.04Å; T686-T688 CarbonylContact O-C 3.47Å; T686-T688 PolarHBondContact O-N 2.89Å; T686-T688 VanDerWaalsContact O-N 3.17Å; T686-T688 VanDerWaalsContact O-O 3.08Å
687G42.6Very low57.5Low59 Ų5969.7 Ų69.761%0.60840%0.395SS*.THydrogen-bonded Turntrans-62.1-13.5-179.600000115.5D685 G689D685-G687 PolarHBondContact O-N 3.01Å; D685-G687 VanDerWaalsContact O-N 3.15Å; D685-G687 WeakPolarHBondContact OD1-CA 3.46Å; D685-G687 PolarHBondContact OD1-N 3.46Å; G687-G689 PolarHBondContact O-N 3.17Å; G687-G689 VanDerWaalsContact O-N 3.16Å
688T52.5Low59.4Low61 Ų6170.5 Ų70.537%0.37439%0.392SS..SBendtrans-70.6101.7154.655.10000108.1T686 E690T686-T688 CarbonylContact O-C 3.47Å; T686-T688 PolarHBondContact O-N 2.89Å; T686-T688 VanDerWaalsContact O-N 3.17Å; T686-T688 VanDerWaalsContact O-O 3.08Å; T688-E690 PolarHBondContact O-N 2.95Å
689G59.6Low61.1Low29 Ų2968.2 Ų68.230%0.29938%0.377SS..  trans-63.310.418000000116.1G687 I772 T773G687-G689 PolarHBondContact O-N 3.17Å; G687-G689 VanDerWaalsContact O-N 3.16Å; G689-I772 CarbonylContact O-C 3.54Å; G689-I772 WeakPolarHBondContact O-CA 3.38Å; G689-T773 PolarHBondContact O-N 2.77Å; G689-T773 PolarHBondContact O-OG1 2.99Å; G689-T773 VanDerWaalsContact O-OG1 3.12Å
690E66.4Low62.7Low58 Ų5863 Ų6327%0.27136%0.355SS..EExtended strand (participates in β ladder)trans-71.1121.6172.1-62.3176.6-163.900110.2T688 L771 A911T688-E690 PolarHBondContact O-N 2.95Å; E690-L771 CarbonylContact C-O 3.44Å; E690-L771 VanDerWaalsContact CA-O 3.28Å; E690-L771 WeakPolarHBondContact CA-O 3.44Å; E690-A911 HydrophobicContact CB-CB 4.43Å
691T72.3Confident64.3Low30 Ų3056.9 Ų56.918%0.18432%0.323CS..EExtended strand (participates in β ladder)trans-134.6-176.8175.787.90000110.5L771T691-L771 PolarHBondContact N-O 3.08Å; T691-L771 PolarHBondContact O-N 3.45Å
692F78.4Confident66.2Low18 Ų1854.2 Ų54.28%0.07931%0.311CS..EExtended strand (participates in β ladder)trans-105.8162.5162.4-67-88.8000111.1I666 M743 V768 V769 A911 S915I666-F692 PolarHBondContact N-O 3.22Å; F692-M743 HydrophobicContact CE1-SD 3.96Å; F692-V768 HydrophobicContact CD1-CG1 4.26Å; F692-V769 WeakPolarHBondContact CA-O 3.16Å; F692-A911 HydrophobicContact CE2-CB 4.21Å; F692-A911 WeakPolarHBondContact CE2-O 3.45Å; F692-A911 HydrophobicContact CZ-CB 4.02Å; F692-A911 WeakPolarHBondContact CZ-O 3.46Å; F692-S915 VanDerWaalsContact CE2-N 3.35Å
693G82.7Confident67.6Low0 Ų050.1 Ų50.10%029%0.289CS..EExtended strand (participates in β ladder)trans-145.7171.2160.100000112.8C664 V769C664-G693 CarbonylContact O-C 3.58Å; C664-G693 WeakPolarHBondContact O-CA 3.42Å; G693-V769 PolarHBondContact N-O 2.96Å; G693-V769 PolarHBondContact O-N 2.64Å
694L85.8Confident69.1Low2 Ų248.5 Ų48.51%0.0128%0.277CS..EExtended strand (participates in β ladder)trans-99.4127171.9-50.8-177.5000108.1L663 C664 I666 L700 F766 V768 V922L663-L694 WeakPolarHBondContact CA-O 3.06Å; C664-L694 HydrophobicContact CB-CB 4.37Å; C664-L694 PolarHBondContact N-O 3.09Å; C664-L694 PolarHBondContact O-N 3.12Å; I666-L694 HydrophobicContact CD1-CD2 4.21Å; I666-L694 HydrophobicContact CD1-CG 4.33Å; L694-L700 HydrophobicContact CB-CD1 4.15Å; L694-L700 HydrophobicContact CD1-CD1 4.42Å; L694-L700 HydrophobicContact CD1-CD2 3.78Å; L694-F766 HydrophobicContact CD2-CD2 4.41Å; L694-F766 HydrophobicContact CD2-CE2 3.92Å; L694-V768 HydrophobicContact CD2-CB 4.49Å; L694-V768 HydrophobicContact CD2-CG1 4.37Å; L694-V768 HydrophobicContact CD2-CG2 3.82Å; L694-V922 HydrophobicContact CD2-CG2 4.34Å
695L89.4Confident70.6Confident0 Ų050.8 Ų50.80%029%0.286CS..EExtended strand (participates in β ladder)trans-98.4112.3170.8-179.770.7000108L655 L661 F662 L663 L728 L733 L736 Y767 V769L655-L695 HydrophobicContact CD1-CD2 4.23Å; L655-L695 HydrophobicContact CD1-CG 4.27Å; L655-L695 HydrophobicContact CD2-CG 4.44Å; L661-L695 HydrophobicContact CB-CD1 3.76Å; L661-L695 HydrophobicContact CB-CG 4.49Å; L661-L695 HydrophobicContact CD1-CD1 4.22Å; L661-L695 HydrophobicContact CD1-CD2 4.19Å; L661-L695 HydrophobicContact CD1-CG 4.34Å; F662-L695 WeakPolarHBondContact O-CA 3.42Å; L663-L695 HydrophobicContact CD2-CB 4.39Å; L663-L695 HydrophobicContact CD2-CD1 4.18Å; L663-L695 HydrophobicContact CG-CD1 3.92Å; L695-L728 HydrophobicContact CD2-CD1 3.85Å; L695-L733 HydrophobicContact CD2-CD2 4.18Å; L695-L736 HydrophobicContact CD2-CD1 4.03Å; L695-Y767 HydrophobicContact CD2-CD2 4.18Å; L695-Y767 PolarHBondContact N-O 3.4Å; L695-Y767 PolarHBondContact O-N 3.35Å; L695-Y767 VanDerWaalsContact O-N 3.08Å; L695-V769 HydrophobicContact CB-CG1 4.05Å; L695-V769 HydrophobicContact CB-CG2 4.19Å; L695-V769 HydrophobicContact CD2-CG1 4.43Å
696S88.2Confident72.1Confident1 Ų146.3 Ų46.31%0.00726%0.262CS..EExtended strand (participates in β ladder)trans-127.2162.6-171.557.30000111.5F662 E698 L700F662-S696 PolarHBondContact N-O 2.71Å; F662-S696 PolarHBondContact O-N 2.95Å; F662-S696 PolarHBondContact O-OG 2.78Å; S696-E698 WeakPolarHBondContact CB-O 3.36Å; S696-E698 PolarHBondContact OG-O 3.4Å; S696-L700 WeakPolarHBondContact OG-CD1 3.42Å
697R86.6Confident73.4Confident71 Ų7143.2 Ų43.227%0.26824%0.24SC..SBendtrans-81.5-22.8-179.4-171.658.5176.899.519.8113.4N653 R654 L655 V659 P660 F662N653-R697 HydrophobicContact CB-CB 3.84Å; N653-R697 HydrophobicContact CB-CG 3.91Å; N653-R697 WeakPolarHBondContact O-CB 3.28Å; R654-R697 WeakPolarHBondContact O-CD 3.44Å; R654-R697 WeakPolarHBondContact O-CG 3.4Å; L655-R697 HydrophobicContact CD2-CB 4.33Å; V659-R697 VanDerWaalsContact CG1-NH2 3.33Å; P660-R697 PolarHBondContact O-NH1 3.27Å; F662-R697 WeakPolarHBondContact CD2-O 3.4Å
698E84.1Confident74.8Confident77 Ų7740.5 Ų40.536%0.3621%0.212SC..SBendtrans-128.1154.1174.6-73.5172-160.400109.3C650 N653 S696 L700C650-E698 HydrophobicContact CB-CB 3.9Å; N653-E698 PolarHBondContact ND2-OE1 2.89Å; S696-E698 WeakPolarHBondContact CB-O 3.36Å; S696-E698 PolarHBondContact OG-O 3.4Å; E698-L700 PolarHBondContact O-N 2.82Å
699P81.4Confident75.6Confident66 Ų6638.6 Ų38.643%0.42920%0.198SC..PPolyproline II helixtrans-64.1134177.627.4-34.1000110.8F662F662-P699 HydrophobicContact CB-CB 4.33Å; F662-P699 HydrophobicContact CD1-CB 3.85Å; F662-P699 HydrophobicContact CD1-CG 4.27Å; F662-P699 HydrophobicContact CE1-CB 4.38Å; F662-P699 HydrophobicContact CE1-CG 4.34Å; F662-P699 HydrophobicContact CG-CB 4.06Å; F662-P699 HydrophobicContact CG-CG 4.48Å
700L78.3Confident75.8Confident7 Ų738.6 Ų38.64%0.03720%0.196CC..PPolyproline II helixtrans-69.1145.9169.8-78.497.6000110.1L651 C664 L694 S696 E698 C925L651-L700 HydrophobicContact CD2-CD1 4.42Å; L651-L700 HydrophobicContact CD2-CD2 4.22Å; L651-L700 HydrophobicContact CD2-CG 4.3Å; C664-L700 HydrophobicContact CB-CB 4.31Å; C664-L700 HydrophobicContact CB-CD1 3.77Å; L694-L700 HydrophobicContact CB-CD1 4.15Å; L694-L700 HydrophobicContact CD1-CD1 4.42Å; L694-L700 HydrophobicContact CD1-CD2 3.78Å; S696-L700 WeakPolarHBondContact OG-CD1 3.42Å; E698-L700 PolarHBondContact O-N 2.82Å; L700-C925 HydrophobicContact CD2-CB 4.46Å
701P71.4Confident75.7Confident28 Ų2838.2 Ų38.218%0.18220%0.199CC..PPolyproline II helixtrans-61.7149.3172.327.9-34.8000110.7T703 A927 D930P701-T703 PolarHBondContact O-N 3.48Å; P701-A927 HydrophobicContact CG-CB 4.22Å; P701-D930 HydrophobicContact CB-CB 4.24Å; P701-D930 VanDerWaalsContact CB-OD2 3.29Å; P701-D930 WeakPolarHBondContact CB-OD2 3.48Å; P701-D930 HydrophobicContact CG-CB 4.15Å
702Q70.9Confident74.9Confident141 Ų14138.9 Ų38.966%0.65920%0.2SC*.PPolyproline II helixtrans-66.1117.9173.1-73.2-166.18.200109.7
703T68.2Low73.9Confident4 Ų439.1 Ų39.13%0.02520%0.202CC..PPolyproline II helixtrans-83136.3175.761.50000110.3P701 C719 C925 L926P701-T703 PolarHBondContact O-N 3.48Å; T703-C719 HydrophobicContact CG2-CB 4.16Å; T703-C719 VanDerWaalsContact OG1-CB 3.26Å; T703-C719 WeakPolarHBondContact OG1-CB 3.42Å; T703-C719 PolarHBondContact OG1-N 3.19Å; T703-C719 VanDerWaalsContact OG1-N 3.08Å; T703-C925 VanDerWaalsContact CG2-O 3.23Å; T703-C925 WeakPolarHBondContact CG2-O 3.42Å; T703-L926 HydrophobicContact CG2-CB 4.49Å
704P67.5Low73.2Confident59 Ų5940.3 Ų40.338%0.38321%0.207SC..PPolyproline II helixtrans-58.8156.9161.628.1-36.2000109.8F706 L926 L1130P704-F706 PolarHBondContact O-N 3.02Å; P704-L926 HydrophobicContact CG-CD1 3.74Å; P704-L1130 HydrophobicContact CG-CB 4.19Å
705K73.5Confident72.5Confident137 Ų13740.5 Ų40.560%0.59621%0.209SC*.PPolyproline II helixtrans-58.2130.4174.3-62.2-175.7-178.4-179.40109.7Y716 V717 K718K705-Y716 HydrophobicContact CB-CD1 4.37Å; K705-V717 WeakPolarHBondContact CA-O 3.41Å; K705-K718 HydrophobicContact CG-CB 4.3Å
706F70.6Confident71.8Confident22 Ų2243 Ų4310%0.09622%0.218CC..EExtended strand (participates in β ladder)trans-126.2161.5174.164.4-94.2000111P704 I708 Y716 V717 L921 R924P704-F706 PolarHBondContact O-N 3.02Å; F706-I708 HydrophobicContact CD2-CG2 4.35Å; F706-I708 HydrophobicContact CE2-CG2 4.24Å; F706-Y716 CarbonylContact O-C 3.46Å; F706-Y716 WeakPolarHBondContact O-CA 3.03Å; F706-V717 HydrophobicContact CD2-CB 4.49Å; F706-V717 HydrophobicContact CE1-CB 4.37Å; F706-V717 HydrophobicContact CE2-CB 4.05Å; F706-V717 HydrophobicContact CZ-CB 4Å; F706-V717 HydrophobicContact CZ-CG1 4.12Å; F706-V717 PolarHBondContact N-O 3.33Å; F706-V717 PolarHBondContact O-N 2.96Å; F706-L921 HydrophobicContact CE2-CD2 3.72Å; F706-L921 HydrophobicContact CZ-CD2 3.73Å; F706-R924 HydrophobicContact CD2-CB 3.8Å; F706-R924 HydrophobicContact CD2-CG 4.15Å; F706-R924 HydrophobicContact CE1-CB 4.18Å; F706-R924 HydrophobicContact CE2-CB 3.34Å; F706-R924 HydrophobicContact CE2-CG 3.89Å; F706-R924 HydrophobicContact CG-CB 4.39Å; F706-R924 HydrophobicContact CZ-CB 3.55Å
707E70.8Confident71.1Confident38 Ų3843 Ų4318%0.17822%0.218CC..EExtended strand (participates in β ladder)trans-106.2140.8-170.7-67177.3-153.500112.3Q714 V715 Y716 C962E707-Q714 VanDerWaalsContact CD-NE2 3.34Å; E707-Q714 PolarHBondContact OE2-NE2 3.07Å; E707-V715 WeakPolarHBondContact CA-O 3.09Å; E707-Y716 HydrophobicContact CG-CD1 3.61Å; E707-Y716 HydrophobicContact CG-CE1 3.31Å; E707-Y716 VanDerWaalsContact OE1-CE1 3.29Å; E707-Y716 WeakPolarHBondContact OE1-CE1 3.1Å; E707-Y716 PolarHBondContact OE1-OH 3.06Å; E707-C962 PolarHBondContact OE2-SG 2.77Å; E707-C962 VanDerWaalsContact OE2-SG 3.41Å
708I72.5Confident70.6Confident2 Ų242.3 Ų42.31%0.0122%0.217CC..EExtended strand (participates in β ladder)trans-137.4157.4167.563.3174.2000110.2F706 V715 V717 M888 F917 E920 L921F706-I708 HydrophobicContact CD2-CG2 4.35Å; F706-I708 HydrophobicContact CE2-CG2 4.24Å; I708-V715 HydrophobicContact CG1-CB 4.17Å; I708-V715 PolarHBondContact N-O 2.88Å; I708-V715 PolarHBondContact O-N 3.02Å; I708-V717 HydrophobicContact CD1-CG2 3.9Å; I708-V717 HydrophobicContact CG1-CG2 4.05Å; I708-M888 HydrophobicContact CB-CB 4.24Å; I708-F917 HydrophobicContact CD1-CB 4.25Å; I708-F917 HydrophobicContact CD1-CD1 3.86Å; I708-F917 HydrophobicContact CD1-CG 4.14Å; I708-E920 HydrophobicContact CG2-CG 4.15Å; I708-L921 HydrophobicContact CD1-CD2 4.14Å
709F70.2Confident70.3Confident20 Ų2038.7 Ų38.79%0.08820%0.2CC..EExtended strand (participates in β ladder)trans-104.1103.5174.8-66.9-84.2000110.8S711 E713 Q714 M888 I889 R891 L1145F709-S711 VanDerWaalsContact C-N 3.3Å; F709-S711 PolarHBondContact O-N 3.49Å; F709-E713 WeakPolarHBondContact CA-O 3.41Å; F709-Q714 HydrophobicContact CD1-CB 4.44Å; F709-Q714 HydrophobicContact CE1-CB 4.02Å; F709-Q714 HydrophobicContact CE1-CG 4.2Å; F709-Q714 HydrophobicContact CZ-CG 4.47Å; F709-M888 PolarHBondContact N-O 3.37Å; F709-I889 WeakPolarHBondContact CD2-O 3.45Å; F709-I889 WeakPolarHBondContact CE2-O 3.5Å; F709-R891 HydrophobicContact CD1-CB 4.03Å; F709-R891 HydrophobicContact CD1-CG 4.03Å; F709-R891 HydrophobicContact CE1-CB 4.31Å; F709-R891 HydrophobicContact CE1-CG 4.39Å; F709-R891 HydrophobicContact CG-CB 4.29Å; F709-L1145 HydrophobicContact CE2-CD1 4.5Å; F709-L1145 HydrophobicContact CE2-CD2 4.39Å
710A63.1Low70.3Confident30 Ų3037 Ų3725%0.24819%0.189CC..SBendtrans-68.5-29179.600000113E713 V715 F917A710-E713 PolarHBondContact N-O 2.83Å; A710-V715 HydrophobicContact CB-CG2 3.81Å; A710-F917 HydrophobicContact CB-CE1 3.82Å; A710-F917 HydrophobicContact CB-CZ 4.04Å
711S63.6Low70.4Confident50 Ų5037.9 Ų37.935%0.3520%0.195SC..SBendtrans-164.4-88.6168.5-77.10000110.3F709 R892F709-S711 VanDerWaalsContact C-N 3.3Å; F709-S711 PolarHBondContact O-N 3.49Å; S711-R892 PolarHBondContact O-N 3.5Å; S711-R892 VanDerWaalsContact O-N 3.09Å
712E55.5Low70.9Confident44 Ų4438 Ų3821%0.20619%0.194CC..SBendtrans-98.4-15.7170-71-177-13000112.3R891 K894E712-R891 VanDerWaalsContact O-CZ 3.26Å; E712-R891 PolarHBondContact O-NE 3.05Å; E712-R891 PolarHBondContact O-NH2 3.28Å; E712-K894 WeakPolarHBondContact OE1-CE 3.35Å; E712-K894 WeakPolarHBondContact OE1-CG 3.37Å; E712-K894 IonicContact OE1-NZ 3.19Å; E712-K894 PolarHBondContact OE1-NZ 3.2Å; E712-K894 IonicContact OE2-NZ 2.75Å; E712-K894 PolarHBondContact OE2-NZ 3.1Å
713E58.7Low71.2Confident23 Ų2337.2 Ų37.211%0.10720%0.202CC..SBendtrans-98.1146.3-175-63.2175.1135.500111.9V670 S673 F684 F709 A710V670-E713 HydrophobicContact CG1-CB 4.45Å; S673-E713 VanDerWaalsContact CA-OE1 3.23Å; S673-E713 WeakPolarHBondContact CA-OE1 3.37Å; S673-E713 VanDerWaalsContact CB-OE1 3.32Å; S673-E713 WeakPolarHBondContact CB-OE1 3.05Å; S673-E713 PolarHBondContact OG-OE1 3.34Å; F684-E713 WeakPolarHBondContact CE2-OE2 3.37Å; F709-E713 WeakPolarHBondContact CA-O 3.41Å; A710-E713 PolarHBondContact N-O 2.83Å
714Q67.8Low71.9Confident25 Ų2544.6 Ų44.612%0.11724%0.236CC..EExtended strand (participates in β ladder)trans-90.7128.3178.3-173.1-177.68.300108.6A671 E707 F709A671-Q714 HydrophobicContact CB-CB 4.27Å; A671-Q714 HydrophobicContact CB-CG 4.38Å; A671-Q714 VanDerWaalsContact CB-O 3.25Å; A671-Q714 WeakPolarHBondContact CB-O 3.21Å; A671-Q714 PolarHBondContact N-O 2.84Å; E707-Q714 VanDerWaalsContact CD-NE2 3.34Å; E707-Q714 PolarHBondContact OE2-NE2 3.07Å; F709-Q714 HydrophobicContact CD1-CB 4.44Å; F709-Q714 HydrophobicContact CE1-CB 4.02Å; F709-Q714 HydrophobicContact CE1-CG 4.2Å; F709-Q714 HydrophobicContact CZ-CG 4.47Å
715V70.5Confident72.8Confident6 Ų644.7 Ų44.74%0.03624%0.236CC..EExtended strand (participates in β ladder)trans-129.5124.1-170.9-174.30000109.9I668 V670 E707 I708 A710I668-V715 HydrophobicContact CG2-CG1 3.37Å; V670-V715 HydrophobicContact CG2-CG2 4.34Å; E707-V715 WeakPolarHBondContact CA-O 3.09Å; I708-V715 HydrophobicContact CG1-CB 4.17Å; I708-V715 PolarHBondContact N-O 2.88Å; I708-V715 PolarHBondContact O-N 3.02Å; A710-V715 HydrophobicContact CB-CG2 3.81Å
716Y74.1Confident73.5Confident52 Ų5240.5 Ų40.520%0.20422%0.222CC..EExtended strand (participates in β ladder)trans-87.1134.8173.7-70.5-74.4000110.8S669 A671 K705 F706 E707S669-Y716 PolarHBondContact N-O 3.42Å; S669-Y716 PolarHBondContact O-N 2.71Å; S669-Y716 PolarHBondContact OG-O 3.36Å; A671-Y716 HydrophobicContact CB-CD2 3.69Å; A671-Y716 HydrophobicContact CB-CE2 3.44Å; A671-Y716 VanDerWaalsContact CB-CE2 3.44Å; K705-Y716 HydrophobicContact CB-CD1 4.37Å; F706-Y716 CarbonylContact O-C 3.46Å; F706-Y716 WeakPolarHBondContact O-CA 3.03Å; E707-Y716 HydrophobicContact CG-CD1 3.61Å; E707-Y716 HydrophobicContact CG-CE1 3.31Å; E707-Y716 VanDerWaalsContact OE1-CE1 3.29Å; E707-Y716 WeakPolarHBondContact OE1-CE1 3.1Å; E707-Y716 PolarHBondContact OE1-OH 3.06Å
717V73.9Confident74.5Confident0 Ų045 Ų450%025%0.247CC..EExtended strand (participates in β ladder)trans-122136.6177.2-170.90000110.3I666 Q667 I668 K705 F706 I708 L921I666-V717 HydrophobicContact CG2-CG1 3.65Å; Q667-V717 WeakPolarHBondContact O-CA 3.24Å; I668-V717 HydrophobicContact CG1-CG1 4.34Å; I668-V717 HydrophobicContact CG1-CG2 4.41Å; K705-V717 WeakPolarHBondContact CA-O 3.41Å; F706-V717 HydrophobicContact CD2-CB 4.49Å; F706-V717 HydrophobicContact CE1-CB 4.37Å; F706-V717 HydrophobicContact CE2-CB 4.05Å; F706-V717 HydrophobicContact CZ-CB 4Å; F706-V717 HydrophobicContact CZ-CG1 4.12Å; F706-V717 PolarHBondContact N-O 3.33Å; F706-V717 PolarHBondContact O-N 2.96Å; I708-V717 HydrophobicContact CD1-CG2 3.9Å; I708-V717 HydrophobicContact CG1-CG2 4.05Å; V717-L921 HydrophobicContact CB-CD2 4.14Å; V717-L921 HydrophobicContact CG1-CD2 3.78Å; V717-L921 HydrophobicContact CG2-CD2 3.96Å
718K76.1Confident75.4Confident57 Ų5744 Ų4425%0.24824%0.242CC..EExtended strand (participates in β ladder)trans-126.9125.2176-172-179.1-178.2174.30109Q667 K705 V720Q667-K718 HydrophobicContact CB-CB 4.47Å; Q667-K718 PolarHBondContact N-O 3.23Å; Q667-K718 PolarHBondContact O-N 2.72Å; K705-K718 HydrophobicContact CG-CB 4.3Å; K718-V720 HydrophobicContact CD-CG2 3.95Å; K718-V720 HydrophobicContact CG-CG2 3.9Å
719C77.8Confident76.2Confident1 Ų146.4 Ų46.41%0.00726%0.262CS..EExtended strand (participates in β ladder)trans-94123.7173-55.10000108.9Q665 T703Q665-C719 WeakPolarHBondContact O-CA 3.33Å; T703-C719 HydrophobicContact CG2-CB 4.16Å; T703-C719 VanDerWaalsContact OG1-CB 3.26Å; T703-C719 WeakPolarHBondContact OG1-CB 3.42Å; T703-C719 PolarHBondContact OG1-N 3.19Å; T703-C719 VanDerWaalsContact OG1-N 3.08Å
720V80.5Confident77.1Confident31 Ų3151.2 Ų51.219%0.18829%0.289CS..EExtended strand (participates in β ladder)trans-120.9104.2-173.5-177.90000109.5C664 Q665 Q667 K718 L722C664-V720 CarbonylContact C-O 3.59Å; C664-V720 WeakPolarHBondContact CA-O 3.07Å; Q665-V720 PolarHBondContact N-O 2.98Å; Q665-V720 PolarHBondContact O-N 2.85Å; Q667-V720 HydrophobicContact CG-CG2 4.26Å; K718-V720 HydrophobicContact CD-CG2 3.95Å; K718-V720 HydrophobicContact CG-CG2 3.9Å; V720-L722 PolarHBondContact O-N 2.91Å
721S80.6Confident78.4Confident25 Ų2554.2 Ų54.218%0.17530%0.301CS..EExtended strand (participates in β ladder)trans-65.1124.8171.4-168.50000110
722L83.5Confident79.7Confident31 Ų3155 Ų5516%0.16230%0.298CS..  trans-74.2143177.1-58.8-177.9000110L663 Q665 V720 Q724 C779L663-L722 HydrophobicContact CB-CB 4.49Å; L663-L722 HydrophobicContact CB-CD1 3.9Å; L663-L722 HydrophobicContact CB-CG 4.36Å; L663-L722 WeakPolarHBondContact O-CB 3.42Å; L663-L722 WeakPolarHBondContact O-CG 3.42Å; L663-L722 PolarHBondContact O-N 2.83Å; Q665-L722 HydrophobicContact CB-CD2 4.41Å; V720-L722 PolarHBondContact O-N 2.91Å; L722-Q724 PolarHBondContact O-N 3.05Å; L722-C779 HydrophobicContact CD1-CB 4.14Å; L722-C779 WeakPolarHBondContact CD1-O 3.46Å; L722-C779 HydrophobicContact CD2-CB 4.37Å
723P75.9Confident81.4Confident125 Ų12553.4 Ų53.481%0.81229%0.291SS*.SBendtrans-79.4-16.9-169.930.7-36.7000114.5
724Q82.6Confident82.8Confident159 Ų15954.9 Ų54.974%0.74331%0.307SS*.SBendtrans-105124.3177.4-67.6-171.12.900110.1L722L722-Q724 PolarHBondContact O-N 3.05Å
725P86.5Confident83.9Confident60 Ų6055.6 Ų55.639%0.3931%0.312SS..PPolyproline II helixtrans-75.1148.2172.632.5-34.6000110.8P660 L661 F662P660-P725 HydrophobicContact CB-CB 3.82Å; P660-P725 HydrophobicContact CB-CG 4.08Å; L661-P725 CarbonylContact O-C 3.54Å; L661-P725 WeakPolarHBondContact O-CA 3.42Å; L661-P725 VanDerWaalsContact O-CB 3.3Å; L661-P725 WeakPolarHBondContact O-CB 3.44Å; F662-P725 HydrophobicContact CD1-CB 4.15Å; F662-P725 HydrophobicContact CE1-CB 3.91Å; F662-P725 HydrophobicContact CE1-CG 4.41Å; F662-P725 HydrophobicContact CZ-CB 4.13Å
726V89.1Confident84.9Confident49 Ų4955.4 Ų55.430%0.29731%0.31SS..BIsolated β-bridgetrans-102.6139-179.5177.30000110L661 L663 L728L661-V726 PolarHBondContact N-O 3.12Å; L661-V726 PolarHBondContact O-N 2.86Å; L663-V726 HydrophobicContact CD1-CB 4.33Å; L663-V726 HydrophobicContact CD1-CG2 3.69Å; V726-L728 HydrophobicContact CG1-CD2 3.75Å; V726-L728 HydrophobicContact CG1-CG 4.07Å
727L91Very high85.7Confident118 Ų11854.7 Ų54.762%0.61831%0.31SS*.PPolyproline II helixtrans-100.5120.8171.6-70.1167.2000108.8P660P660-L727 HydrophobicContact CG-CD2 4.13Å
728L90.2Very high86.3Confident16 Ų1658.3 Ų58.38%0.08433%0.326CS..  trans-114.9146.6176.2-61.3-179.3000110.5A657 G658 L661 L695 V726 K732 L733 L736 I781 W783A657-L728 WeakPolarHBondContact CA-O 3.43Å; G658-L728 PolarHBondContact N-O 3.49Å; L661-L728 HydrophobicContact CD1-CD1 4.27Å; L695-L728 HydrophobicContact CD2-CD1 3.85Å; V726-L728 HydrophobicContact CG1-CD2 3.75Å; V726-L728 HydrophobicContact CG1-CG 4.07Å; L728-K732 HydrophobicContact CB-CB 4.43Å; L728-K732 HydrophobicContact CD2-CB 4.36Å; L728-L733 HydrophobicContact CB-CD1 4.23Å; L728-L733 HydrophobicContact CB-CG 3.93Å; L728-L733 HydrophobicContact CD1-CD2 4.01Å; L728-L733 HydrophobicContact CD1-CG 4.16Å; L728-L736 HydrophobicContact CD1-CD1 3.69Å; L728-I781 HydrophobicContact CD1-CD1 4.24Å; L728-I781 HydrophobicContact CD2-CD1 4.48Å; L728-W783 HydrophobicContact CD2-CH2 4.45Å; L728-W783 HydrophobicContact CD2-CZ2 4.02Å
729A89.4Confident86.8Confident52 Ų5255.7 Ų55.743%0.4332%0.316SS..  trans-88.5164.9168.400000110.9D731 K732 L733A729-D731 VanDerWaalsContact C-N 3.3Å; A729-D731 VanDerWaalsContact CB-OD1 3.26Å; A729-D731 WeakPolarHBondContact CB-OD1 3.47Å; A729-D731 PolarHBondContact O-N 3.21Å; A729-K732 PolarHBondContact O-N 2.86Å; A729-K732 VanDerWaalsContact O-N 3.1Å; A729-L733 PolarHBondContact O-N 3.12Å
730D88.5Confident87.2Confident121 Ų12155.7 Ų55.765%0.64732%0.315SS*.Hα-helixtrans-59.1-36.7-175.9-71.8-62.4000113.3A657 K732 L733 A734A657-D730 HydrophobicContact CB-CB 4.25Å; A657-D730 WeakPolarHBondContact CB-OD1 3.45Å; D730-K732 VanDerWaalsContact C-N 3.32Å; D730-K732 PolarHBondContact O-N 2.74Å; D730-L733 PolarHBondContact O-N 2.91Å; D730-A734 VanDerWaalsContact O-CB 3.3Å; D730-A734 WeakPolarHBondContact O-CB 3.48Å; D730-A734 PolarHBondContact O-N 2.82Å
731D90.2Very high87.5Confident94 Ų9460.4 Ų60.450%0.50333%0.33SS..Hα-helixtrans-60.9-42.4176.172-53.3000111.4A729 A734 L735A729-D731 VanDerWaalsContact C-N 3.3Å; A729-D731 VanDerWaalsContact CB-OD1 3.26Å; A729-D731 WeakPolarHBondContact CB-OD1 3.47Å; A729-D731 PolarHBondContact O-N 3.21Å; D731-A734 PolarHBondContact O-N 3.23Å; D731-L735 VanDerWaalsContact O-CG 3.28Å; D731-L735 WeakPolarHBondContact O-CG 3.03Å; D731-L735 PolarHBondContact O-N 2.9Å; D731-L735 VanDerWaalsContact O-N 3.11Å
732K91.7Very high87.5Confident67 Ų6760.6 Ų60.629%0.29133%0.327SS..Hα-helixtrans-72.2-36.4178.8-69.3-69.1167.3-173.70112.4L728 A729 D730 L736 W783L728-K732 HydrophobicContact CB-CB 4.43Å; L728-K732 HydrophobicContact CD2-CB 4.36Å; A729-K732 PolarHBondContact O-N 2.86Å; A729-K732 VanDerWaalsContact O-N 3.1Å; D730-K732 VanDerWaalsContact C-N 3.32Å; D730-K732 PolarHBondContact O-N 2.74Å; K732-L736 WeakPolarHBondContact O-CG 3.39Å; K732-L736 PolarHBondContact O-N 3.46Å; K732-W783 HydrophobicContact CB-CH2 3.74Å; K732-W783 HydrophobicContact CB-CZ2 4.37Å; K732-W783 HydrophobicContact CB-CZ3 4.32Å; K732-W783 HydrophobicContact CD-CD2 4.28Å; K732-W783 HydrophobicContact CD-CE3 3.9Å; K732-W783 HydrophobicContact CD-CH2 3.52Å; K732-W783 HydrophobicContact CD-CZ2 3.89Å; K732-W783 HydrophobicContact CD-CZ3 3.51Å; K732-W783 HydrophobicContact CG-CH2 4.14Å; K732-W783 HydrophobicContact CG-CZ2 4.49Å
733L90.2Very high87.3Confident10 Ų1059.5 Ų59.55%0.05232%0.321CS..Hα-helixtrans-68.4-39.4173-82.8162.4000112.2L655 A657 L661 L695 L728 A729 D730 L736 L737 Y767L655-L733 HydrophobicContact CB-CD2 4.32Å; A657-L733 HydrophobicContact CB-CD1 3.88Å; L661-L733 HydrophobicContact CD1-CD1 4.41Å; L661-L733 HydrophobicContact CD1-CD2 3.92Å; L695-L733 HydrophobicContact CD2-CD2 4.18Å; L728-L733 HydrophobicContact CB-CD1 4.23Å; L728-L733 HydrophobicContact CB-CG 3.93Å; L728-L733 HydrophobicContact CD1-CD2 4.01Å; L728-L733 HydrophobicContact CD1-CG 4.16Å; A729-L733 PolarHBondContact O-N 3.12Å; D730-L733 PolarHBondContact O-N 2.91Å; L733-L736 PolarHBondContact O-N 3.41Å; L733-L737 PolarHBondContact O-N 3.44Å; L733-Y767 HydrophobicContact CD2-CD2 4.24Å; L733-Y767 HydrophobicContact CD2-CE2 3.7Å
734A88.4Confident87.5Confident54 Ų5453.6 Ų53.645%0.44628%0.282SS..Hα-helixtrans-64.2-40.9176.700000112.6D730 D731 L736 L737 E738D730-A734 VanDerWaalsContact O-CB 3.3Å; D730-A734 WeakPolarHBondContact O-CB 3.48Å; D730-A734 PolarHBondContact O-N 2.82Å; D731-A734 PolarHBondContact O-N 3.23Å; A734-L736 VanDerWaalsContact C-N 3.34Å; A734-L736 PolarHBondContact O-N 2.88Å; A734-L737 PolarHBondContact O-N 3.33Å; A734-E738 PolarHBondContact O-N 2.86Å
735L91.1Very high87.3Confident40 Ų4047.7 Ų47.721%0.20926%0.256CS..Hα-helixtrans-63.4-38.4175.4-69.4165.4000112.3D731 E738 V739 V786 L790D731-L735 VanDerWaalsContact O-CG 3.28Å; D731-L735 WeakPolarHBondContact O-CG 3.03Å; D731-L735 PolarHBondContact O-N 2.9Å; D731-L735 VanDerWaalsContact O-N 3.11Å; L735-E738 PolarHBondContact O-N 3.07Å; L735-V739 PolarHBondContact O-N 3.05Å; L735-V786 HydrophobicContact CB-CG1 4.39Å; L735-L790 HydrophobicContact CB-CD1 4.32Å; L735-L790 HydrophobicContact CD2-CD1 3.53Å
736L91.4Very high86.6Confident1 Ų149.1 Ų49.11%0.00526%0.26CS..Hα-helixtrans-69.5-35.5174.9-66.2171.6000112.1L695 L728 K732 L733 A734 V739 H740 Y767 V769 I781 W783 V786L695-L736 HydrophobicContact CD2-CD1 4.03Å; L728-L736 HydrophobicContact CD1-CD1 3.69Å; K732-L736 WeakPolarHBondContact O-CG 3.39Å; K732-L736 PolarHBondContact O-N 3.46Å; L733-L736 PolarHBondContact O-N 3.41Å; A734-L736 VanDerWaalsContact C-N 3.34Å; A734-L736 PolarHBondContact O-N 2.88Å; L736-V739 PolarHBondContact O-N 3.23Å; L736-H740 WeakPolarHBondContact O-CB 3.4Å; L736-H740 PolarHBondContact O-N 3.12Å; L736-Y767 HydrophobicContact CB-CD2 4Å; L736-Y767 HydrophobicContact CB-CE2 4.45Å; L736-V769 HydrophobicContact CB-CG1 4.39Å; L736-V769 HydrophobicContact CD1-CG1 4.2Å; L736-V769 HydrophobicContact CD2-CB 4.33Å; L736-V769 HydrophobicContact CD2-CG1 3.93Å; L736-V769 HydrophobicContact CG-CG1 4.4Å; L736-I781 HydrophobicContact CD1-CD1 4.06Å; L736-I781 HydrophobicContact CD2-CG2 3.96Å; L736-W783 HydrophobicContact CD1-CH2 3.78Å; L736-W783 HydrophobicContact CD1-CZ3 4.43Å; L736-W783 HydrophobicContact CD2-CH2 4.09Å; L736-W783 HydrophobicContact CD2-CZ3 4.02Å; L736-W783 HydrophobicContact CG-CH2 3.86Å; L736-W783 HydrophobicContact CG-CZ3 4Å; L736-V786 HydrophobicContact CD2-CG2 3.88Å
737L90.3Very high85.7Confident37 Ų3747.4 Ų47.419%0.19425%0.249CC..Hα-helixtrans-65.9-38.8174.1-175.364.5000112L733 A734 R741 F757 F759 Y767L733-L737 PolarHBondContact O-N 3.44Å; A734-L737 PolarHBondContact O-N 3.33Å; L737-R741 WeakPolarHBondContact O-CB 3.47Å; L737-R741 PolarHBondContact O-N 3.41Å; L737-F757 HydrophobicContact CD1-CE1 4.25Å; L737-F757 HydrophobicContact CD1-CZ 3.74Å; L737-F759 HydrophobicContact CD1-CB 4.26Å; L737-F759 HydrophobicContact CD1-CD2 4.24Å; L737-F759 HydrophobicContact CD1-CG 4.28Å; L737-F759 HydrophobicContact CD2-CB 4.36Å; L737-F759 HydrophobicContact CD2-CD1 4.36Å; L737-F759 HydrophobicContact CD2-CG 4.27Å; L737-Y767 HydrophobicContact CB-CE2 4.2Å; L737-Y767 HydrophobicContact CD1-CD1 4.35Å; L737-Y767 HydrophobicContact CD1-CE1 3.62Å
738E88Confident84.7Confident76 Ų7642 Ų4236%0.35522%0.221SC..Hα-helixtrans-60.2-44.9171.7-75-154136.500111.6A734 L735 R741 Y742 L790 R794A734-E738 PolarHBondContact O-N 2.86Å; L735-E738 PolarHBondContact O-N 3.07Å; E738-R741 PolarHBondContact O-N 3.29Å; E738-Y742 WeakPolarHBondContact O-CB 3.33Å; E738-Y742 PolarHBondContact O-N 2.84Å; E738-L790 HydrophobicContact CB-CD2 3.52Å; E738-R794 IonicContact OE2-CZ 3.04Å; E738-R794 IonicContact OE2-NH2 2.78Å; E738-R794 PolarHBondContact OE2-NH2 2.97Å
739V85.9Confident83.8Confident3 Ų344.4 Ų44.42%0.01823%0.231CC..Hα-helixtrans-67.6-42.5178.4173.30000112.4L735 L736 Y742 M743 V786 L789 L790L735-V739 PolarHBondContact O-N 3.05Å; L736-V739 PolarHBondContact O-N 3.23Å; V739-Y742 WeakPolarHBondContact O-CB 3.34Å; V739-Y742 PolarHBondContact O-N 3.34Å; V739-M743 WeakPolarHBondContact O-CB 3.39Å; V739-M743 PolarHBondContact O-N 3.41Å; V739-V786 HydrophobicContact CG2-CB 4.39Å; V739-V786 HydrophobicContact CG2-CG1 3.97Å; V739-V786 HydrophobicContact CG2-CG2 4.35Å; V739-L789 HydrophobicContact CG1-CD1 3.9Å; V739-L789 HydrophobicContact CG2-CB 4.47Å; V739-L790 HydrophobicContact CG2-CD1 4.34Å; V739-L790 HydrophobicContact CG2-CD2 3.73Å; V739-L790 HydrophobicContact CG2-CG 3.77Å
740H87.3Confident82.9Confident0 Ų042 Ų420%021%0.21CC..Hα-helixtrans-61.5-45175.518086.2000111L736 M743 F744 F757 F766 V768 P1219 C1220L736-H740 WeakPolarHBondContact O-CB 3.4Å; L736-H740 PolarHBondContact O-N 3.12Å; H740-M743 PolarHBondContact O-N 3.32Å; H740-F744 AromaticContact CE1-CE2 3.28Å; H740-F744 WeakPolarHBondContact CE1-CE2 3.17Å; H740-F744 AromaticContact CE1-CZ 3.97Å; H740-F744 AromaticContact ND1-CE2 3.88Å; H740-F744 WeakPolarHBondContact O-CD2 3.2Å; H740-F744 PolarHBondContact O-N 2.93Å; H740-F744 VanDerWaalsContact O-N 3.14Å; H740-F757 AromaticContact CD2-CE2 3.99Å; H740-F766 PolarHBondContact CE1-O 3.47Å; H740-V768 WeakPolarHBondContact CE1-CG2 3.46Å; H740-V768 PolarHBondContact ND1-N 3.35Å; H740-P1219 WeakPolarHBondContact CE1-CB 3.37Å; H740-P1219 WeakPolarHBondContact CE1-CG 3.42Å; H740-P1219 WeakPolarHBondContact NE2-CB 3.49Å; H740-P1219 PolarHBondContact NE2-O 2.99Å; H740-C1220 VanDerWaalsContact NE2-CB 3.25Å; H740-C1220 WeakPolarHBondContact NE2-CB 3.14Å; H740-C1220 PolarHBondContact NE2-N 2.96Å; H740-C1220 PolarHBondContact NE2-SG 3.26Å
741R86.2Confident81.8Confident130 Ų13042.7 Ų42.749%0.49122%0.215SC..Hα-helixtrans-59.8-46.7176.1-177.4178.5172.1-156.9-2.5112.4L737 E738 M743 F744 L745 F757L737-R741 WeakPolarHBondContact O-CB 3.47Å; L737-R741 PolarHBondContact O-N 3.41Å; E738-R741 PolarHBondContact O-N 3.29Å; R741-M743 VanDerWaalsContact C-N 3.3Å; R741-M743 PolarHBondContact O-N 3.17Å; R741-F744 PolarHBondContact O-N 3.22Å; R741-L745 HydrophobicContact CG-CD1 3.6Å; R741-L745 HydrophobicContact CG-CG 4.24Å; R741-L745 WeakPolarHBondContact O-CB 3.4Å; R741-L745 PolarHBondContact O-N 3.14Å; R741-F757 HydrophobicContact CB-CD2 4.44Å; R741-F757 HydrophobicContact CB-CE1 3.99Å; R741-F757 HydrophobicContact CB-CE2 3.82Å; R741-F757 HydrophobicContact CB-CZ 3.56Å; R741-F757 HydrophobicContact CG-CD1 4.01Å; R741-F757 HydrophobicContact CG-CD2 4.14Å; R741-F757 HydrophobicContact CG-CE1 3.87Å; R741-F757 HydrophobicContact CG-CE2 4Å; R741-F757 HydrophobicContact CG-CG 4.15Å; R741-F757 HydrophobicContact CG-CZ 3.86Å
742Y80.1Confident80.7Confident29 Ų2939.5 Ų39.511%0.11420%0.199CC..Hα-helixtrans-55.8-47174.9179.6-133.5000111.5E738 V739 F744 D746 L747 L789 M793E738-Y742 WeakPolarHBondContact O-CB 3.33Å; E738-Y742 PolarHBondContact O-N 2.84Å; V739-Y742 WeakPolarHBondContact O-CB 3.34Å; V739-Y742 PolarHBondContact O-N 3.34Å; Y742-F744 PolarHBondContact O-N 2.9Å; Y742-D746 HydrophobicContact CD2-CB 3.51Å; Y742-D746 WeakPolarHBondContact CD2-OD2 3.22Å; Y742-D746 HydrophobicContact CE2-CB 3.68Å; Y742-D746 WeakPolarHBondContact O-CB 3.46Å; Y742-D746 PolarHBondContact O-N 3.18Å; Y742-L747 HydrophobicContact CD1-CD1 3.92Å; Y742-L747 HydrophobicContact CD1-CD2 4.3Å; Y742-L747 HydrophobicContact CD1-CG 4.13Å; Y742-L747 HydrophobicContact CD2-CD2 4.28Å; Y742-L747 HydrophobicContact CD2-CG 4.43Å; Y742-L747 HydrophobicContact CE1-CD1 3.85Å; Y742-L747 HydrophobicContact CE1-CD2 3.75Å; Y742-L747 HydrophobicContact CE1-CG 4.03Å; Y742-L747 HydrophobicContact CE2-CD2 3.7Å; Y742-L747 HydrophobicContact CE2-CG 4.33Å; Y742-L747 HydrophobicContact CG-CG 4.34Å; Y742-L747 VanDerWaalsContact CZ-CD2 3.42Å; Y742-L747 PolarHBondContact O-N 2.73Å; Y742-L747 VanDerWaalsContact O-N 3.1Å; Y742-L789 HydrophobicContact CE1-CD2 4.2Å; Y742-M793 HydrophobicContact CD1-CG 3.72Å; Y742-M793 HydrophobicContact CD1-SD 4.34Å; Y742-M793 HydrophobicContact CD2-CE 4.06Å; Y742-M793 HydrophobicContact CD2-CG 3.39Å; Y742-M793 HydrophobicContact CD2-SD 4.15Å; Y742-M793 HydrophobicContact CE1-CG 3.95Å; Y742-M793 HydrophobicContact CE2-CG 3.66Å; Y742-M793 HydrophobicContact CG-CE 4.15Å; Y742-M793 HydrophobicContact CG-CG 3.42Å; Y742-M793 VanDerWaalsContact CG-CG 3.42Å; Y742-M793 HydrophobicContact CG-SD 3.82Å
743M78.8Confident79.5Confident9 Ų941.9 Ų41.94%0.04422%0.222CC..Iπ-helixtrans-62.8-40-176.5-171.616358.200112.9F692 V739 H740 R741 L747 L748 V768 S915F692-M743 HydrophobicContact CE1-SD 3.96Å; V739-M743 WeakPolarHBondContact O-CB 3.39Å; V739-M743 PolarHBondContact O-N 3.41Å; H740-M743 PolarHBondContact O-N 3.32Å; R741-M743 VanDerWaalsContact C-N 3.3Å; R741-M743 PolarHBondContact O-N 3.17Å; M743-L747 HydrophobicContact CB-CD1 4.41Å; M743-L747 HydrophobicContact CG-CD1 4.48Å; M743-L747 WeakPolarHBondContact O-CB 3.39Å; M743-L748 WeakPolarHBondContact O-CB 3.13Å; M743-L748 VanDerWaalsContact O-CG 3.28Å; M743-L748 WeakPolarHBondContact O-CG 3.39Å; M743-L748 PolarHBondContact O-N 3.05Å; M743-V768 HydrophobicContact CE-CB 3.54Å; M743-V768 HydrophobicContact CE-CG1 3.56Å; M743-S915 WeakPolarHBondContact SD-CB 3.44Å
744F79.9Confident78.6Confident0 Ų043.2 Ų43.20%023%0.23CC..Iπ-helixtrans-79-53.6174.2-78-90.6000112.7H740 R741 Y742 L748 K749 F750 V768 V918 W1216 P1218 P1219 F1221H740-F744 AromaticContact CE1-CE2 3.28Å; H740-F744 WeakPolarHBondContact CE1-CE2 3.17Å; H740-F744 AromaticContact CE1-CZ 3.97Å; H740-F744 AromaticContact ND1-CE2 3.88Å; H740-F744 WeakPolarHBondContact O-CD2 3.2Å; H740-F744 PolarHBondContact O-N 2.93Å; H740-F744 VanDerWaalsContact O-N 3.14Å; R741-F744 PolarHBondContact O-N 3.22Å; Y742-F744 PolarHBondContact O-N 2.9Å; F744-L748 HydrophobicContact CD1-CD1 3.98Å; F744-L748 HydrophobicContact CE1-CD1 4Å; F744-L748 HydrophobicContact CG-CD1 4.4Å; F744-L748 HydrophobicContact CZ-CD1 4.43Å; F744-K749 PolarHBondContact O-N 2.86Å; F744-F750 HydrophobicContact CB-CB 4.3Å; F744-F750 HydrophobicContact CD1-CB 4.41Å; F744-F750 HydrophobicContact CD1-CD2 4.11Å; F744-F750 HydrophobicContact CD1-CG 4.35Å; F744-F750 WeakPolarHBondContact O-CB 3.2Å; F744-F750 PolarHBondContact O-N 3.03Å; F744-V768 HydrophobicContact CE2-CG2 4.31Å; F744-V918 HydrophobicContact CZ-CG1 4.02Å; F744-W1216 AromaticContact CE1-CH2 3.95Å; F744-W1216 HydrophobicContact CE1-CH2 3.95Å; F744-W1216 HydrophobicContact CE1-CZ3 4.05Å; F744-W1216 HydrophobicContact CZ-CH2 4.44Å; F744-P1218 HydrophobicContact CD1-CB 3.86Å; F744-P1218 HydrophobicContact CE1-CB 3.83Å; F744-P1219 HydrophobicContact CE1-CG 4.43Å; F744-P1219 HydrophobicContact CE2-CG 4.03Å; F744-P1219 HydrophobicContact CZ-CG 3.73Å; F744-F1221 HydrophobicContact CB-CE2 3.59Å; F744-F1221 HydrophobicContact CB-CZ 3.74Å; F744-F1221 HydrophobicContact CD1-CE2 4.2Å; F744-F1221 AromaticContact CG-CE2 3.96Å; F744-F1221 HydrophobicContact CG-CE2 3.96Å
745L79.1Confident78.1Confident35 Ų3540.9 Ų40.918%0.18321%0.21CC..Iπ-helixtrans-72.4-44.8-171.3-66.7-179.1000114.2R741 K749 F750 F757 F1221R741-L745 HydrophobicContact CG-CD1 3.6Å; R741-L745 HydrophobicContact CG-CG 4.24Å; R741-L745 WeakPolarHBondContact O-CB 3.4Å; R741-L745 PolarHBondContact O-N 3.14Å; L745-K749 WeakPolarHBondContact O-CA 3.36Å; L745-F750 WeakPolarHBondContact CD2-O 3.46Å; L745-F757 HydrophobicContact CD1-CB 4.12Å; L745-F757 HydrophobicContact CD1-CG 4.4Å; L745-F757 HydrophobicContact CD2-CB 4.2Å; L745-F757 HydrophobicContact CG-CB 4.43Å; L745-F1221 HydrophobicContact CD2-CE1 3.78Å; L745-F1221 HydrophobicContact CD2-CZ 3.73Å; L745-F1221 HydrophobicContact CG-CZ 4.35Å
746D72.2Confident77.8Confident90 Ų9042.6 Ų42.648%0.48122%0.223SC..Iπ-helixtrans-99.7-35.6-171.1-63.1-79.4000112.8Y742Y742-D746 HydrophobicContact CD2-CB 3.51Å; Y742-D746 WeakPolarHBondContact CD2-OD2 3.22Å; Y742-D746 HydrophobicContact CE2-CB 3.68Å; Y742-D746 WeakPolarHBondContact O-CB 3.46Å; Y742-D746 PolarHBondContact O-N 3.18Å
747L69.1Low77.5Confident14 Ų1444.7 Ų44.77%0.07323%0.232CC..Iπ-helixtrans-89.3-55.9-175.7-50.8-172.1000112.4Y742 M743 K749 Y912Y742-L747 HydrophobicContact CD1-CD1 3.92Å; Y742-L747 HydrophobicContact CD1-CD2 4.3Å; Y742-L747 HydrophobicContact CD1-CG 4.13Å; Y742-L747 HydrophobicContact CD2-CD2 4.28Å; Y742-L747 HydrophobicContact CD2-CG 4.43Å; Y742-L747 HydrophobicContact CE1-CD1 3.85Å; Y742-L747 HydrophobicContact CE1-CD2 3.75Å; Y742-L747 HydrophobicContact CE1-CG 4.03Å; Y742-L747 HydrophobicContact CE2-CD2 3.7Å; Y742-L747 HydrophobicContact CE2-CG 4.33Å; Y742-L747 HydrophobicContact CG-CG 4.34Å; Y742-L747 VanDerWaalsContact CZ-CD2 3.42Å; Y742-L747 PolarHBondContact O-N 2.73Å; Y742-L747 VanDerWaalsContact O-N 3.1Å; M743-L747 HydrophobicContact CB-CD1 4.41Å; M743-L747 HydrophobicContact CG-CD1 4.48Å; M743-L747 WeakPolarHBondContact O-CB 3.39Å; L747-K749 VanDerWaalsContact C-N 3.26Å; L747-K749 PolarHBondContact O-N 3.4Å; L747-Y912 HydrophobicContact CB-CE2 4.14Å; L747-Y912 HydrophobicContact CD1-CD2 3.89Å; L747-Y912 HydrophobicContact CD1-CE2 3.43Å; L747-Y912 VanDerWaalsContact CD1-CE2 3.43Å; L747-Y912 HydrophobicContact CD2-CE2 3.57Å; L747-Y912 HydrophobicContact CG-CE2 3.88Å
748L71.7Confident77.3Confident4 Ų445.2 Ų45.22%0.02124%0.235CC..SBendtrans-79-8.5174.8-64.5174.1000113M743 F744 F750 Y886 P919M743-L748 WeakPolarHBondContact O-CB 3.13Å; M743-L748 VanDerWaalsContact O-CG 3.28Å; M743-L748 WeakPolarHBondContact O-CG 3.39Å; M743-L748 PolarHBondContact O-N 3.05Å; F744-L748 HydrophobicContact CD1-CD1 3.98Å; F744-L748 HydrophobicContact CE1-CD1 4Å; F744-L748 HydrophobicContact CG-CD1 4.4Å; F744-L748 HydrophobicContact CZ-CD1 4.43Å; L748-F750 VanDerWaalsContact C-N 3.29Å; L748-F750 HydrophobicContact CB-CD2 4.17Å; L748-F750 PolarHBondContact O-N 3.49Å; L748-Y886 PolarHBondContact O-OH 2.7Å; L748-Y886 VanDerWaalsContact O-OH 3.06Å; L748-P919 HydrophobicContact CD1-CG 4.18Å
749K70Confident77Confident66 Ų6643.2 Ų43.229%0.28723%0.225SC..  trans53.540.2-177.3-57.2-163.8-176.3-167.10114.2F744 L745 L747 N751 I830 D831F744-K749 PolarHBondContact O-N 2.86Å; L745-K749 WeakPolarHBondContact O-CA 3.36Å; L747-K749 VanDerWaalsContact C-N 3.26Å; L747-K749 PolarHBondContact O-N 3.4Å; K749-N751 PolarHBondContact O-N 3.48Å; K749-I830 PolarHBondContact NZ-O 2.93Å; K749-D831 IonicContact NZ-OD1 3.48Å; K749-D831 PolarHBondContact NZ-OD1 3.41Å
750F71Confident76.7Confident1 Ų147.8 Ų47.80%0.00425%0.25CC..  trans-73.467.6173.9-110.7-78.8000111.7F744 L745 L748 Y886 P1212 T1213 W1216 P1218 F1221F744-F750 HydrophobicContact CB-CB 4.3Å; F744-F750 HydrophobicContact CD1-CB 4.41Å; F744-F750 HydrophobicContact CD1-CD2 4.11Å; F744-F750 HydrophobicContact CD1-CG 4.35Å; F744-F750 WeakPolarHBondContact O-CB 3.2Å; F744-F750 PolarHBondContact O-N 3.03Å; L745-F750 WeakPolarHBondContact CD2-O 3.46Å; L748-F750 VanDerWaalsContact C-N 3.29Å; L748-F750 HydrophobicContact CB-CD2 4.17Å; L748-F750 PolarHBondContact O-N 3.49Å; F750-Y886 HydrophobicContact CD2-CE1 4.31Å; F750-Y886 HydrophobicContact CE2-CD1 4.14Å; F750-Y886 AromaticContact CE2-CE1 3.91Å; F750-Y886 HydrophobicContact CE2-CE1 3.91Å; F750-P1212 VanDerWaalsContact CE1-O 3.23Å; F750-P1212 WeakPolarHBondContact CE1-O 3.31Å; F750-P1212 HydrophobicContact CE2-CB 4.37Å; F750-P1212 HydrophobicContact CZ-CB 3.64Å; F750-P1212 WeakPolarHBondContact CZ-O 3.24Å; F750-T1213 HydrophobicContact CE1-CG2 4.46Å; F750-W1216 HydrophobicContact CE1-CE3 4.22Å; F750-W1216 HydrophobicContact CE1-CZ3 4.47Å; F750-W1216 HydrophobicContact CE2-CE3 4.34Å; F750-W1216 HydrophobicContact CE2-CZ3 4.01Å; F750-W1216 AromaticContact CZ-CE3 3.66Å; F750-W1216 HydrophobicContact CZ-CE3 3.66Å; F750-W1216 AromaticContact CZ-CZ3 3.78Å; F750-W1216 HydrophobicContact CZ-CZ3 3.78Å; F750-P1218 HydrophobicContact CD1-CG 3.46Å; F750-P1218 VanDerWaalsContact CD1-CG 3.46Å; F750-P1218 HydrophobicContact CE1-CG 3.4Å; F750-P1218 VanDerWaalsContact CE1-CG 3.4Å; F750-P1218 HydrophobicContact CG-CG 4.13Å; F750-P1218 HydrophobicContact CZ-CG 4.03Å; F750-F1221 HydrophobicContact CB-CE1 4.49Å; F750-F1221 HydrophobicContact CB-CZ 4.1Å; F750-F1221 WeakPolarHBondContact O-CE1 3.44Å
751N64.7Low76.4Confident137 Ų13754 Ų5473%0.73328%0.278SS*.  trans-129.671-175.6-158.83.7000109.3K749K749-N751 PolarHBondContact O-N 3.48Å
752S68.2Low76.3Confident26 Ų2648.1 Ų48.118%0.18226%0.257CS..  trans-99.2143.3178.2-177.20000109.8T754 V755S752-T754 PolarHBondContact O-N 3.39Å; S752-T754 PolarHBondContact OG-N 2.87Å; S752-T754 PolarHBondContact OG-OG1 3.36Å; S752-V755 PolarHBondContact O-N 2.91Å
753P67.1Low76.2Confident117 Ų11750.8 Ų50.876%0.7627%0.271SS*.THydrogen-bonded Turntrans-61.6-8.5173.527.5-36.7000114.2
754T70.5Confident76.3Confident39 Ų3951 Ų5124%0.23927%0.273CS..THydrogen-bonded Turntrans-95.7-10.7179.453.30000114.9S752 A1223 S1224 I1246S752-T754 PolarHBondContact O-N 3.39Å; S752-T754 PolarHBondContact OG-N 2.87Å; S752-T754 PolarHBondContact OG-OG1 3.36Å; T754-A1223 WeakPolarHBondContact O-CA 3.48Å; T754-S1224 PolarHBondContact O-N 3.37Å; T754-I1246 WeakPolarHBondContact OG1-CD1 3.34Å
755V78.5Confident76.5Confident4 Ų451.1 Ų51.12%0.02427%0.273CS..EExtended strand (participates in β ladder)trans-143125.4179.9-930000112.1S752 L1217 F1221 V1222 A1223 I1246S752-V755 PolarHBondContact O-N 2.91Å; V755-L1217 HydrophobicContact CG1-CD1 3.81Å; V755-F1221 HydrophobicContact CB-CD1 4.16Å; V755-V1222 WeakPolarHBondContact CA-O 3.24Å; V755-A1223 HydrophobicContact CG1-CB 4.43Å; V755-I1246 HydrophobicContact CB-CD1 4.46Å; V755-I1246 HydrophobicContact CG1-CD1 3.63Å; V755-I1246 HydrophobicContact CG1-CG2 3.92Å; V755-I1246 HydrophobicContact CG2-CD1 4.22Å
756T84Confident76.9Confident76 Ų7649.5 Ų49.547%0.46627%0.265SS..EExtended strand (participates in β ladder)trans-108.1139.8178.235.20000111.1D758 F1221 V1222 S1224T756-D758 PolarHBondContact O-N 2.86Å; T756-F1221 WeakPolarHBondContact O-CA 3.38Å; T756-V1222 PolarHBondContact N-O 3.37Å; T756-V1222 PolarHBondContact O-N 3.43Å; T756-S1224 WeakPolarHBondContact CG2-OG 3.14Å; T756-S1224 PolarHBondContact N-OG 3.27Å; T756-S1224 PolarHBondContact OG1-OG 3.21Å; T756-S1224 VanDerWaalsContact OG1-OG 3.09Å
757F85.3Confident77.7Confident45 Ų4545.5 Ų45.520%0.19724%0.243CC..EExtended strand (participates in β ladder)trans-72.3110.2172.7-173.6-83.4000109.6L737 H740 R741 L745 C1220 F1221L737-F757 HydrophobicContact CD1-CE1 4.25Å; L737-F757 HydrophobicContact CD1-CZ 3.74Å; H740-F757 AromaticContact CD2-CE2 3.99Å; R741-F757 HydrophobicContact CB-CD2 4.44Å; R741-F757 HydrophobicContact CB-CE1 3.99Å; R741-F757 HydrophobicContact CB-CE2 3.82Å; R741-F757 HydrophobicContact CB-CZ 3.56Å; R741-F757 HydrophobicContact CG-CD1 4.01Å; R741-F757 HydrophobicContact CG-CD2 4.14Å; R741-F757 HydrophobicContact CG-CE1 3.87Å; R741-F757 HydrophobicContact CG-CE2 4Å; R741-F757 HydrophobicContact CG-CG 4.15Å; R741-F757 HydrophobicContact CG-CZ 3.86Å; L745-F757 HydrophobicContact CD1-CB 4.12Å; L745-F757 HydrophobicContact CD1-CG 4.4Å; L745-F757 HydrophobicContact CD2-CB 4.2Å; L745-F757 HydrophobicContact CG-CB 4.43Å; F757-C1220 HydrophobicContact CE2-CB 3.82Å; F757-C1220 HydrophobicContact CZ-CB 3.95Å; F757-F1221 HydrophobicContact CB-CD1 4.2Å; F757-F1221 HydrophobicContact CB-CE1 3.99Å; F757-F1221 HydrophobicContact CB-CZ 4.2Å; F757-F1221 AromaticContact CD2-CD2 3.97Å; F757-F1221 HydrophobicContact CD2-CD2 3.97Å; F757-F1221 HydrophobicContact CD2-CE1 4.43Å; F757-F1221 AromaticContact CD2-CE2 3.59Å; F757-F1221 HydrophobicContact CD2-CE2 3.59Å; F757-F1221 AromaticContact CD2-CZ 3.84Å; F757-F1221 HydrophobicContact CD2-CZ 3.84Å; F757-F1221 HydrophobicContact CE2-CE2 4.29Å
758D85.7Confident78.5Confident49 Ų4944.9 Ų44.926%0.26224%0.239SC..  trans-147.8100.3179.1-177.2-13.9000108.8T756 D760 H761 S762 C1220 V1222T756-D758 PolarHBondContact O-N 2.86Å; D758-D760 VanDerWaalsContact C-N 3.31Å; D758-D760 WeakPolarHBondContact OD1-CA 3.34Å; D758-D760 PolarHBondContact OD1-N 2.95Å; D758-H761 PolarHBondContact OD1-N 3.49Å; D758-H761 VanDerWaalsContact OD1-N 3.13Å; D758-H761 IonicContact OD1-ND1 3.13Å; D758-H761 PolarHBondContact OD1-ND1 3.27Å; D758-H761 IonicContact OD2-CE1 2.79Å; D758-H761 IonicContact OD2-CG 3.92Å; D758-H761 IonicContact OD2-ND1 2.72Å; D758-H761 PolarHBondContact OD2-ND1 2.89Å; D758-S762 VanDerWaalsContact O-CB 3.27Å; D758-S762 WeakPolarHBondContact O-CB 3.32Å; D758-S762 PolarHBondContact O-N 3.1Å; D758-S762 VanDerWaalsContact O-N 3.15Å; D758-C1220 CarbonylContact C-O 3.5Å; D758-C1220 PolarHBondContact N-O 3.35Å; D758-V1222 HydrophobicContact CB-CB 4.45Å; D758-V1222 HydrophobicContact CB-CG2 3.91Å
759F81.3Confident79.2Confident33 Ų3344.7 Ų44.715%0.14524%0.238CC..THydrogen-bonded Turntrans-68.2-30.2176.4172.9-103.5000112.7L737 H761 P765 Y767 C1220L737-F759 HydrophobicContact CD1-CB 4.26Å; L737-F759 HydrophobicContact CD1-CD2 4.24Å; L737-F759 HydrophobicContact CD1-CG 4.28Å; L737-F759 HydrophobicContact CD2-CB 4.36Å; L737-F759 HydrophobicContact CD2-CD1 4.36Å; L737-F759 HydrophobicContact CD2-CG 4.27Å; F759-H761 VanDerWaalsContact C-N 3.29Å; F759-H761 PolarHBondContact O-N 2.98Å; F759-P765 HydrophobicContact CD2-CB 4.42Å; F759-P765 HydrophobicContact CE2-CB 4Å; F759-Y767 AromaticContact CD2-CE1 3.84Å; F759-Y767 HydrophobicContact CD2-CE1 3.84Å; F759-Y767 AromaticContact CE2-CE1 3.56Å; F759-Y767 HydrophobicContact CE2-CE1 3.56Å; F759-Y767 AromaticContact CE2-CZ 3.91Å; F759-Y767 WeakPolarHBondContact CE2-OH 3.44Å; F759-Y767 HydrophobicContact CZ-CE1 4.38Å; F759-Y767 WeakPolarHBondContact CZ-OH 3.44Å; F759-C1220 HydrophobicContact CD2-CB 4.4Å
760D78.9Confident80Confident100 Ų10041.7 Ų41.754%0.53523%0.226SC..THydrogen-bonded Turntrans-79.2-12-172.9-80.6-45.6000113.4R654 D758R654-D760 PolarHBondContact NH1-O 3.43Å; R654-D760 IonicContact NH1-OD1 3.37Å; R654-D760 PolarHBondContact NH2-O 2.93Å; D758-D760 VanDerWaalsContact C-N 3.31Å; D758-D760 WeakPolarHBondContact OD1-CA 3.34Å; D758-D760 PolarHBondContact OD1-N 2.95Å
761H83Confident80.7Confident131 Ų13141.6 Ų41.661%0.60623%0.225SC*.THydrogen-bonded Turntrans-125.7-2.4173-53.798.3000114.8D758 F759 V1222D758-H761 PolarHBondContact OD1-N 3.49Å; D758-H761 VanDerWaalsContact OD1-N 3.13Å; D758-H761 IonicContact OD1-ND1 3.13Å; D758-H761 PolarHBondContact OD1-ND1 3.27Å; D758-H761 IonicContact OD2-CE1 2.79Å; D758-H761 IonicContact OD2-CG 3.92Å; D758-H761 IonicContact OD2-ND1 2.72Å; D758-H761 PolarHBondContact OD2-ND1 2.89Å; F759-H761 VanDerWaalsContact C-N 3.29Å; F759-H761 PolarHBondContact O-N 2.98Å; H761-V1222 VanDerWaalsContact C-CG2 3.45Å; H761-V1222 HydrophobicContact CB-CG2 3.92Å
762S83.4Confident81.6Confident6 Ų637.7 Ų37.74%0.04220%0.204CC..  trans-63.2133.5-179.8-170.40000113.9D758 V764 C1220 F1221D758-S762 VanDerWaalsContact O-CB 3.27Å; D758-S762 WeakPolarHBondContact O-CB 3.32Å; D758-S762 PolarHBondContact O-N 3.1Å; D758-S762 VanDerWaalsContact O-N 3.15Å; S762-V764 VanDerWaalsContact C-N 3.26Å; S762-V764 PolarHBondContact O-N 2.79Å; S762-V764 PolarHBondContact OG-N 2.79Å; S762-C1220 WeakPolarHBondContact OG-CA 3.18Å; S762-C1220 PolarHBondContact OG-N 3.28Å; S762-F1221 VanDerWaalsContact CB-O 3.29Å; S762-F1221 WeakPolarHBondContact CB-O 3.37Å; S762-F1221 PolarHBondContact OG-N 2.97Å; S762-F1221 PolarHBondContact OG-O 3.48Å
763E77Confident82.2Confident85 Ų8539.6 Ų39.640%0.39721%0.214SC..SBendtrans-78-6.8170.8-64.6-168.3159.100113.7K644 S652 P765K644-E763 WeakPolarHBondContact CE-OE2 3.4Å; K644-E763 IonicContact NZ-OE1 2.6Å; K644-E763 PolarHBondContact NZ-OE1 3.13Å; K644-E763 IonicContact NZ-OE2 3.4Å; K644-E763 PolarHBondContact NZ-OE2 3.29Å; S652-E763 WeakPolarHBondContact CA-O 3.46Å; E763-P765 WeakPolarHBondContact O-CD 3.31Å
764V80.9Confident82.7Confident14 Ų1437 Ų379%0.08519%0.192CC..  trans-127.361.4-178.2-161.20000111.1V647 S762 F766 L1217 P1219 C1220V647-V764 HydrophobicContact CG1-CG2 4.12Å; V647-V764 HydrophobicContact CG2-CG2 4.04Å; S762-V764 VanDerWaalsContact C-N 3.26Å; S762-V764 PolarHBondContact O-N 2.79Å; S762-V764 PolarHBondContact OG-N 2.79Å; V764-F766 VanDerWaalsContact C-N 3.33Å; V764-F766 HydrophobicContact CG1-CD1 3.69Å; V764-F766 HydrophobicContact CG1-CE1 3.51Å; V764-F766 PolarHBondContact O-N 3.31Å; V764-L1217 HydrophobicContact CG2-CD2 4.19Å; V764-P1219 HydrophobicContact CG1-CB 4.49Å; V764-P1219 VanDerWaalsContact O-CA 3.31Å; V764-P1219 WeakPolarHBondContact O-CA 3.26Å; V764-C1220 PolarHBondContact O-N 3.15Å; V764-C1220 VanDerWaalsContact O-N 3.09Å
765P85.2Confident82.9Confident1 Ų142 Ų421%0.00623%0.225CC..  trans-85.749.3-167.138.4-42000114.6L651 R654 F759 E763L651-P765 WeakPolarHBondContact O-CD 3.4Å; R654-P765 HydrophobicContact CB-CG 4.31Å; R654-P765 HydrophobicContact CG-CB 4.02Å; R654-P765 HydrophobicContact CG-CG 3.77Å; F759-P765 HydrophobicContact CD2-CB 4.42Å; F759-P765 HydrophobicContact CE2-CB 4Å; E763-P765 WeakPolarHBondContact O-CD 3.31Å
766F86.6Confident82.4Confident2 Ų246.5 Ų46.51%0.00926%0.263CS..  trans-102.6153.7171.775.5-100.9000111.7L651 L694 H740 V764 V768 V922 P1219L651-F766 HydrophobicContact CB-CD1 4.05Å; L651-F766 HydrophobicContact CB-CE1 4.45Å; L651-F766 HydrophobicContact CD1-CD1 4.33Å; L651-F766 HydrophobicContact CD1-CE1 4.01Å; L651-F766 HydrophobicContact CD2-CD1 3.83Å; L651-F766 HydrophobicContact CD2-CE1 4.23Å; L651-F766 HydrophobicContact CD2-CG 4.29Å; L651-F766 HydrophobicContact CG-CD1 4.28Å; L651-F766 HydrophobicContact CG-CE1 4.46Å; L694-F766 HydrophobicContact CD2-CD2 4.41Å; L694-F766 HydrophobicContact CD2-CE2 3.92Å; H740-F766 PolarHBondContact CE1-O 3.47Å; V764-F766 VanDerWaalsContact C-N 3.33Å; V764-F766 HydrophobicContact CG1-CD1 3.69Å; V764-F766 HydrophobicContact CG1-CE1 3.51Å; V764-F766 PolarHBondContact O-N 3.31Å; F766-V768 HydrophobicContact CD2-CG2 4.46Å; F766-V768 HydrophobicContact CE2-CG2 3.87Å; F766-V922 HydrophobicContact CE1-CG1 4.29Å; F766-V922 HydrophobicContact CE2-CG2 4.17Å; F766-V922 HydrophobicContact CZ-CB 4.47Å; F766-V922 HydrophobicContact CZ-CG1 3.73Å; F766-V922 HydrophobicContact CZ-CG2 3.81Å; F766-P1219 HydrophobicContact CD1-CB 4.08Å; F766-P1219 HydrophobicContact CD2-CB 4.17Å; F766-P1219 HydrophobicContact CE1-CB 3.77Å; F766-P1219 HydrophobicContact CE1-CG 4.33Å; F766-P1219 HydrophobicContact CE2-CB 3.82Å; F766-P1219 HydrophobicContact CE2-CG 3.86Å; F766-P1219 HydrophobicContact CG-CB 4.28Å; F766-P1219 HydrophobicContact CZ-CB 3.61Å; F766-P1219 HydrophobicContact CZ-CG 3.7Å
767Y88.5Confident81.6Confident6 Ų649.5 Ų49.52%0.02427%0.269CS..EExtended strand (participates in β ladder)trans-104.5146.3178.5-58.5-15000111.6L655 L695 L733 L736 L737 F759L655-Y767 HydrophobicContact CD1-CD1 3.7Å; L655-Y767 HydrophobicContact CD1-CD2 3.59Å; L655-Y767 HydrophobicContact CD1-CE1 3.89Å; L655-Y767 HydrophobicContact CD1-CE2 3.82Å; L655-Y767 HydrophobicContact CD1-CG 3.51Å; L695-Y767 HydrophobicContact CD2-CD2 4.18Å; L695-Y767 PolarHBondContact N-O 3.4Å; L695-Y767 PolarHBondContact O-N 3.35Å; L695-Y767 VanDerWaalsContact O-N 3.08Å; L733-Y767 HydrophobicContact CD2-CD2 4.24Å; L733-Y767 HydrophobicContact CD2-CE2 3.7Å; L736-Y767 HydrophobicContact CB-CD2 4Å; L736-Y767 HydrophobicContact CB-CE2 4.45Å; L737-Y767 HydrophobicContact CB-CE2 4.2Å; L737-Y767 HydrophobicContact CD1-CD1 4.35Å; L737-Y767 HydrophobicContact CD1-CE1 3.62Å; F759-Y767 AromaticContact CD2-CE1 3.84Å; F759-Y767 HydrophobicContact CD2-CE1 3.84Å; F759-Y767 AromaticContact CE2-CE1 3.56Å; F759-Y767 HydrophobicContact CE2-CE1 3.56Å; F759-Y767 AromaticContact CE2-CZ 3.91Å; F759-Y767 WeakPolarHBondContact CE2-OH 3.44Å; F759-Y767 HydrophobicContact CZ-CE1 4.38Å; F759-Y767 WeakPolarHBondContact CZ-OH 3.44Å
768V86.1Confident81.2Confident0 Ų049 Ų490%028%0.277CS..EExtended strand (participates in β ladder)trans-100.9121.2168.1-175.50000107.4F692 L694 H740 M743 F744 F766 V918F692-V768 HydrophobicContact CD1-CG1 4.26Å; L694-V768 HydrophobicContact CD2-CB 4.49Å; L694-V768 HydrophobicContact CD2-CG1 4.37Å; L694-V768 HydrophobicContact CD2-CG2 3.82Å; H740-V768 WeakPolarHBondContact CE1-CG2 3.46Å; H740-V768 PolarHBondContact ND1-N 3.35Å; M743-V768 HydrophobicContact CE-CB 3.54Å; M743-V768 HydrophobicContact CE-CG1 3.56Å; F744-V768 HydrophobicContact CE2-CG2 4.31Å; F766-V768 HydrophobicContact CD2-CG2 4.46Å; F766-V768 HydrophobicContact CE2-CG2 3.87Å; V768-V918 HydrophobicContact CB-CG1 4.46Å; V768-V918 HydrophobicContact CG1-CG1 4.03Å; V768-V918 HydrophobicContact CG1-CG2 3.95Å; V768-V918 HydrophobicContact CG2-CG1 3.8Å
769V87.6Confident81Confident0 Ų047.5 Ų47.50%027%0.27CS..EExtended strand (participates in β ladder)trans-126.3144.6-166.8-61.10000111.8L663 F692 G693 L695 L736 L771L663-V769 HydrophobicContact CD2-CG2 3.75Å; F692-V769 WeakPolarHBondContact CA-O 3.16Å; G693-V769 PolarHBondContact N-O 2.96Å; G693-V769 PolarHBondContact O-N 2.64Å; L695-V769 HydrophobicContact CB-CG1 4.05Å; L695-V769 HydrophobicContact CB-CG2 4.19Å; L695-V769 HydrophobicContact CD2-CG1 4.43Å; L736-V769 HydrophobicContact CB-CG1 4.39Å; L736-V769 HydrophobicContact CD1-CG1 4.2Å; L736-V769 HydrophobicContact CD2-CB 4.33Å; L736-V769 HydrophobicContact CD2-CG1 3.93Å; L736-V769 HydrophobicContact CG-CG1 4.4Å; V769-L771 HydrophobicContact CG2-CD2 3.93Å
770P85.9Confident81.4Confident3 Ų347.7 Ų47.72%0.01927%0.274CS..EExtended strand (participates in β ladder)trans-72.6137.6171.331.1-34000110.2D782 L785 V786P770-D782 HydrophobicContact CB-CB 4.43Å; P770-D782 PolarHBondContact O-N 3.15Å; P770-L785 HydrophobicContact CB-CD2 3.71Å; P770-L785 HydrophobicContact CB-CG 4.17Å; P770-V786 HydrophobicContact CG-CG2 3.68Å
771L85.8Confident81.8Confident0 Ų043.5 Ų43.50%025%0.251CS..EExtended strand (participates in β ladder)trans-120.7154.6177.1-55.4-176.4000110.7L663 Q665 E690 T691 V769 V780 I781L663-L771 HydrophobicContact CD2-CD2 3.78Å; Q665-L771 HydrophobicContact CB-CD1 4.17Å; Q665-L771 HydrophobicContact CG-CD1 4.2Å; E690-L771 CarbonylContact C-O 3.44Å; E690-L771 VanDerWaalsContact CA-O 3.28Å; E690-L771 WeakPolarHBondContact CA-O 3.44Å; T691-L771 PolarHBondContact N-O 3.08Å; T691-L771 PolarHBondContact O-N 3.45Å; V769-L771 HydrophobicContact CG2-CD2 3.93Å; L771-V780 CarbonylContact C-O 3.48Å; L771-V780 WeakPolarHBondContact CA-O 3.45Å; L771-I781 HydrophobicContact CD2-CG1 4.09Å
772I84.4Confident82.1Confident55 Ų5537.9 Ų37.928%0.28223%0.226SC..EExtended strand (participates in β ladder)trans-131.3138.7169.1-170.7167.3000110.1G689 E774 V780 D782G689-I772 CarbonylContact O-C 3.54Å; G689-I772 WeakPolarHBondContact O-CA 3.38Å; I772-E774 PolarHBondContact O-N 3.05Å; I772-V780 HydrophobicContact CG2-CG2 3.96Å; I772-V780 PolarHBondContact N-O 2.77Å; I772-V780 PolarHBondContact O-N 3.5Å; I772-D782 HydrophobicContact CB-CB 3.92Å; I772-D782 HydrophobicContact CG2-CB 3.85Å
773T79.5Confident82.3Confident65 Ų6541 Ų4140%0.39924%0.237SC..EExtended strand (participates in β ladder)trans-89.596.3179.7-51.40000109.8G689G689-T773 PolarHBondContact O-N 2.77Å; G689-T773 PolarHBondContact O-OG1 2.99Å; G689-T773 VanDerWaalsContact O-OG1 3.12Å
774E79Confident82.6Confident63 Ų6340.4 Ų40.429%0.29425%0.247SC..EExtended strand (participates in β ladder)trans-79.9129.7176-78.5-164.4-139.900111.6I772 A776 K777 G778 V780I772-E774 PolarHBondContact O-N 3.05Å; E774-A776 PolarHBondContact O-N 3.04Å; E774-K777 HydrophobicContact CB-CB 4.11Å; E774-K777 PolarHBondContact O-N 3.25Å; E774-K777 IonicContact OE1-NZ 3.29Å; E774-K777 PolarHBondContact OE1-NZ 2.93Å; E774-K777 WeakPolarHBondContact OE2-CG 3.42Å; E774-K777 IonicContact OE2-NZ 2.83Å; E774-K777 PolarHBondContact OE2-NZ 3.17Å; E774-G778 PolarHBondContact N-O 3.39Å; E774-G778 PolarHBondContact O-N 3.41Å; E774-V780 HydrophobicContact CG-CG2 3.96Å
775P73.3Confident82.4Confident145 Ų14540.1 Ų40.194%0.94225%0.245SC*.THydrogen-bonded Turntrans-57.2-20.6-179.6-2835.3000116.1
776A69.6Low82.4Confident98 Ų9840.1 Ų40.181%0.8124%0.244SC*.THydrogen-bonded Turntrans-112.5-10.1-17700000114.7E774E774-A776 PolarHBondContact O-N 3.04Å
777K66.7Low82.2Confident138 Ų13844.4 Ų44.460%0.627%0.268SS*.THydrogen-bonded Turntrans-123.3-9.3180-55-162.8-161.685.20114.2E774 V780E774-K777 HydrophobicContact CB-CB 4.11Å; E774-K777 PolarHBondContact O-N 3.25Å; E774-K777 IonicContact OE1-NZ 3.29Å; E774-K777 PolarHBondContact OE1-NZ 2.93Å; E774-K777 WeakPolarHBondContact OE2-CG 3.42Å; E774-K777 IonicContact OE2-NZ 2.83Å; E774-K777 PolarHBondContact OE2-NZ 3.17Å; K777-V780 HydrophobicContact CB-CG1 4.08Å
778G76.6Confident81.5Confident35 Ų3549 Ų4936%0.36129%0.288SS..EExtended strand (participates in β ladder)trans75.5-152.9-168.100000111.5E774E774-G778 PolarHBondContact N-O 3.39Å; E774-G778 PolarHBondContact O-N 3.41Å
779C82.3Confident81Confident18 Ų1850 Ų5012%0.12229%0.292CS..EExtended strand (participates in β ladder)trans-82.7123.3-175.7-154.40000111.4Q665 L722Q665-C779 PolarHBondContact NE2-SG 2.85Å; L722-C779 HydrophobicContact CD1-CB 4.14Å; L722-C779 WeakPolarHBondContact CD1-O 3.46Å; L722-C779 HydrophobicContact CD2-CB 4.37Å
780V88.3Confident80.6Confident37 Ų3750.1 Ų50.122%0.22429%0.293CS..EExtended strand (participates in β ladder)trans-133.6164.1-176.3-64.30000110.8L771 I772 E774 K777 D782L771-V780 CarbonylContact C-O 3.48Å; L771-V780 WeakPolarHBondContact CA-O 3.45Å; I772-V780 HydrophobicContact CG2-CG2 3.96Å; I772-V780 PolarHBondContact N-O 2.77Å; I772-V780 PolarHBondContact O-N 3.5Å; E774-V780 HydrophobicContact CG-CG2 3.96Å; K777-V780 HydrophobicContact CB-CG1 4.08Å; V780-D782 PolarHBondContact O-N 3.09Å
781I88.8Confident80Confident11 Ų1156.4 Ų56.46%0.05632%0.317CS..EExtended strand (participates in β ladder)trans-66.3128.3177.2-61.6176.2000110.3L663 L728 L736 L771 W783L663-I781 HydrophobicContact CD1-CD1 4.23Å; L663-I781 HydrophobicContact CD1-CG1 4.01Å; L663-I781 HydrophobicContact CD2-CG1 4.36Å; L728-I781 HydrophobicContact CD1-CD1 4.24Å; L728-I781 HydrophobicContact CD2-CD1 4.48Å; L736-I781 HydrophobicContact CD1-CD1 4.06Å; L736-I781 HydrophobicContact CD2-CG2 3.96Å; L771-I781 HydrophobicContact CD2-CG1 4.09Å; I781-W783 HydrophobicContact CB-CZ2 4.15Å; I781-W783 HydrophobicContact CD1-CZ2 4.14Å; I781-W783 HydrophobicContact CG2-CD2 4.1Å; I781-W783 HydrophobicContact CG2-CE3 4.46Å; I781-W783 HydrophobicContact CG2-CH2 4.14Å; I781-W783 HydrophobicContact CG2-CZ2 3.77Å; I781-W783 HydrophobicContact CG2-CZ3 4.47Å; I781-W783 VanDerWaalsContact O-CD1 3.31Å; I781-W783 PolarHBondContact O-N 2.9Å; I781-W783 VanDerWaalsContact O-N 3.12Å
782D87.6Confident79.1Confident13 Ų1358.1 Ų58.17%0.0733%0.325CS..  trans-82.589.4178.3-170.3-13.5000111.6P770 I772 V780 A784 L785 V786P770-D782 HydrophobicContact CB-CB 4.43Å; P770-D782 PolarHBondContact O-N 3.15Å; I772-D782 HydrophobicContact CB-CB 3.92Å; I772-D782 HydrophobicContact CG2-CB 3.85Å; V780-D782 PolarHBondContact O-N 3.09Å; D782-A784 VanDerWaalsContact C-N 3.27Å; D782-A784 PolarHBondContact O-N 3.02Å; D782-A784 WeakPolarHBondContact OD1-CA 3.32Å; D782-A784 WeakPolarHBondContact OD1-CB 3.38Å; D782-A784 PolarHBondContact OD1-N 2.94Å; D782-L785 HydrophobicContact CB-CB 4Å; D782-L785 VanDerWaalsContact CG-CB 3.41Å; D782-L785 PolarHBondContact O-N 3.32Å; D782-L785 PolarHBondContact OD1-N 2.89Å; D782-L785 VanDerWaalsContact OD2-CB 3.28Å; D782-L785 WeakPolarHBondContact OD2-CB 3.45Å; D782-V786 WeakPolarHBondContact O-CG2 3.48Å; D782-V786 PolarHBondContact O-N 3.32Å
783W87.8Confident78.4Confident72 Ų7257.8 Ų57.827%0.27332%0.323SS..Hα-helixtrans-65.6-26.5175.7-62.4105.1000113.7L728 K732 L736 I781 V786 D787L728-W783 HydrophobicContact CD2-CH2 4.45Å; L728-W783 HydrophobicContact CD2-CZ2 4.02Å; K732-W783 HydrophobicContact CB-CH2 3.74Å; K732-W783 HydrophobicContact CB-CZ2 4.37Å; K732-W783 HydrophobicContact CB-CZ3 4.32Å; K732-W783 HydrophobicContact CD-CD2 4.28Å; K732-W783 HydrophobicContact CD-CE3 3.9Å; K732-W783 HydrophobicContact CD-CH2 3.52Å; K732-W783 HydrophobicContact CD-CZ2 3.89Å; K732-W783 HydrophobicContact CD-CZ3 3.51Å; K732-W783 HydrophobicContact CG-CH2 4.14Å; K732-W783 HydrophobicContact CG-CZ2 4.49Å; L736-W783 HydrophobicContact CD1-CH2 3.78Å; L736-W783 HydrophobicContact CD1-CZ3 4.43Å; L736-W783 HydrophobicContact CD2-CH2 4.09Å; L736-W783 HydrophobicContact CD2-CZ3 4.02Å; L736-W783 HydrophobicContact CG-CH2 3.86Å; L736-W783 HydrophobicContact CG-CZ3 4Å; I781-W783 HydrophobicContact CB-CZ2 4.15Å; I781-W783 HydrophobicContact CD1-CZ2 4.14Å; I781-W783 HydrophobicContact CG2-CD2 4.1Å; I781-W783 HydrophobicContact CG2-CE3 4.46Å; I781-W783 HydrophobicContact CG2-CH2 4.14Å; I781-W783 HydrophobicContact CG2-CZ2 3.77Å; I781-W783 HydrophobicContact CG2-CZ3 4.47Å; I781-W783 VanDerWaalsContact O-CD1 3.31Å; I781-W783 PolarHBondContact O-N 2.9Å; I781-W783 VanDerWaalsContact O-N 3.12Å; W783-V786 HydrophobicContact CE3-CB 4.43Å; W783-V786 HydrophobicContact CE3-CG1 4.28Å; W783-V786 HydrophobicContact CE3-CG2 4.46Å; W783-D787 PolarHBondContact O-N 3.37Å
784A83Confident77.9Confident73 Ų7362.9 Ų62.960%0.60333%0.334SS*.Hα-helixtrans-74.2-38.2178.800000111.1D782 K788D782-A784 VanDerWaalsContact C-N 3.27Å; D782-A784 PolarHBondContact O-N 3.02Å; D782-A784 WeakPolarHBondContact OD1-CA 3.32Å; D782-A784 WeakPolarHBondContact OD1-CB 3.38Å; D782-A784 PolarHBondContact OD1-N 2.94Å; A784-K788 VanDerWaalsContact O-CB 3.26Å; A784-K788 WeakPolarHBondContact O-CB 3.49Å; A784-K788 PolarHBondContact O-N 2.88Å
785L78.3Confident77.1Confident8 Ų867.3 Ų67.34%0.04235%0.349CS..Hα-helixtrans-70.1-37.6171.2-179.455.1000112P770 D782 K788 L789 A909 A911P770-L785 HydrophobicContact CB-CD2 3.71Å; P770-L785 HydrophobicContact CB-CG 4.17Å; D782-L785 HydrophobicContact CB-CB 4Å; D782-L785 VanDerWaalsContact CG-CB 3.41Å; D782-L785 PolarHBondContact O-N 3.32Å; D782-L785 PolarHBondContact OD1-N 2.89Å; D782-L785 VanDerWaalsContact OD2-CB 3.28Å; D782-L785 WeakPolarHBondContact OD2-CB 3.45Å; L785-K788 PolarHBondContact O-N 3.45Å; L785-L789 HydrophobicContact CD1-CD1 4.07Å; L785-L789 HydrophobicContact CD1-CG 3.99Å; L785-L789 HydrophobicContact CG-CD1 4Å; L785-L789 HydrophobicContact CG-CG 4.4Å; L785-L789 WeakPolarHBondContact O-CB 3.44Å; L785-L789 VanDerWaalsContact O-CG 3.3Å; L785-L789 WeakPolarHBondContact O-CG 3.29Å; L785-L789 PolarHBondContact O-N 3.16Å; L785-A909 HydrophobicContact CD1-CB 3.63Å; L785-A911 HydrophobicContact CD2-CB 3.52Å
786V84Confident76.2Confident0 Ų068.5 Ų68.50%034%0.342CS..Hα-helixtrans-54.9-55.4170.2164.40000110.9L735 L736 V739 P770 D782 W783 K788 L789 L790L735-V786 HydrophobicContact CB-CG1 4.39Å; L736-V786 HydrophobicContact CD2-CG2 3.88Å; V739-V786 HydrophobicContact CG2-CB 4.39Å; V739-V786 HydrophobicContact CG2-CG1 3.97Å; V739-V786 HydrophobicContact CG2-CG2 4.35Å; P770-V786 HydrophobicContact CG-CG2 3.68Å; D782-V786 WeakPolarHBondContact O-CG2 3.48Å; D782-V786 PolarHBondContact O-N 3.32Å; W783-V786 HydrophobicContact CE3-CB 4.43Å; W783-V786 HydrophobicContact CE3-CG1 4.28Å; W783-V786 HydrophobicContact CE3-CG2 4.46Å; V786-K788 VanDerWaalsContact C-N 3.27Å; V786-K788 PolarHBondContact O-N 2.94Å; V786-L789 PolarHBondContact O-N 2.82Å; V786-L790 HydrophobicContact CG1-CD1 3.79Å; V786-L790 HydrophobicContact CG1-CG 4.43Å; V786-L790 VanDerWaalsContact O-CG 3.29Å; V786-L790 WeakPolarHBondContact O-CG 3.49Å; V786-L790 PolarHBondContact O-N 3.28Å
787D83.1Confident75.5Confident93 Ų9369.2 Ų69.250%0.49733%0.332SS..Hα-helixtrans-60.9-36.3-179.7-75.3-25.1000112.1W783 W791W783-D787 PolarHBondContact O-N 3.37Å; D787-W791 VanDerWaalsContact O-CB 3.3Å; D787-W791 WeakPolarHBondContact O-CB 3.46Å; D787-W791 PolarHBondContact O-N 2.9Å
788K74.8Confident75.1Confident102 Ų10271.3 Ų71.344%0.44334%0.341SS..Hα-helixtrans-67.8-41.1177.3-171.3178.8179.8-1750112.8A784 L785 V786 W791 Q792A784-K788 VanDerWaalsContact O-CB 3.26Å; A784-K788 WeakPolarHBondContact O-CB 3.49Å; A784-K788 PolarHBondContact O-N 2.88Å; L785-K788 PolarHBondContact O-N 3.45Å; V786-K788 VanDerWaalsContact C-N 3.27Å; V786-K788 PolarHBondContact O-N 2.94Å; K788-W791 PolarHBondContact O-N 3.46Å; K788-Q792 PolarHBondContact O-N 3.3Å; K788-Q792 VanDerWaalsContact O-N 3.07Å
789L75.1Confident74.3Confident20 Ų2077 Ų7711%0.10535%0.352CS..Hα-helixtrans-68.1-44.3175.4-71.3167.3000111.2V739 Y742 L785 V786 W791 Q792 M793V739-L789 HydrophobicContact CG1-CD1 3.9Å; V739-L789 HydrophobicContact CG2-CB 4.47Å; Y742-L789 HydrophobicContact CE1-CD2 4.2Å; L785-L789 HydrophobicContact CD1-CD1 4.07Å; L785-L789 HydrophobicContact CD1-CG 3.99Å; L785-L789 HydrophobicContact CG-CD1 4Å; L785-L789 HydrophobicContact CG-CG 4.4Å; L785-L789 WeakPolarHBondContact O-CB 3.44Å; L785-L789 VanDerWaalsContact O-CG 3.3Å; L785-L789 WeakPolarHBondContact O-CG 3.29Å; L785-L789 PolarHBondContact O-N 3.16Å; V786-L789 PolarHBondContact O-N 2.82Å; L789-W791 VanDerWaalsContact C-N 3.28Å; L789-W791 PolarHBondContact O-N 3.18Å; L789-Q792 PolarHBondContact O-N 2.93Å; L789-Q792 VanDerWaalsContact O-N 3.11Å; L789-M793 PolarHBondContact O-N 3.22Å
790L77.9Confident73.6Confident4 Ų477.2 Ų77.22%0.02135%0.353CS..Hα-helixtrans-62.9-34175.2-65.7174.8000112.3L735 E738 V739 V786 M793 R794L735-L790 HydrophobicContact CB-CD1 4.32Å; L735-L790 HydrophobicContact CD2-CD1 3.53Å; E738-L790 HydrophobicContact CB-CD2 3.52Å; V739-L790 HydrophobicContact CG2-CD1 4.34Å; V739-L790 HydrophobicContact CG2-CD2 3.73Å; V739-L790 HydrophobicContact CG2-CG 3.77Å; V786-L790 HydrophobicContact CG1-CD1 3.79Å; V786-L790 HydrophobicContact CG1-CG 4.43Å; V786-L790 VanDerWaalsContact O-CG 3.29Å; V786-L790 WeakPolarHBondContact O-CG 3.49Å; V786-L790 PolarHBondContact O-N 3.28Å; L790-M793 HydrophobicContact CD2-SD 3.81Å; L790-R794 WeakPolarHBondContact O-CD 3.37Å; L790-R794 VanDerWaalsContact O-CG 3.22Å; L790-R794 WeakPolarHBondContact O-CG 3.08Å; L790-R794 PolarHBondContact O-N 3.24Å
791W73.9Confident72.8Confident135 Ų13579 Ų7951%0.51136%0.363SS..Hα-helixtrans-67.9-37.9172.3-176.394.6000112.5D787 K788 L789 R795D787-W791 VanDerWaalsContact O-CB 3.3Å; D787-W791 WeakPolarHBondContact O-CB 3.46Å; D787-W791 PolarHBondContact O-N 2.9Å; K788-W791 PolarHBondContact O-N 3.46Å; L789-W791 VanDerWaalsContact C-N 3.28Å; L789-W791 PolarHBondContact O-N 3.18Å; W791-R795 VanDerWaalsContact CZ2-NH1 3.32Å
792Q67.4Low72Confident35 Ų3582.8 Ų82.816%0.16438%0.384CS..Hα-helixtrans-67.4-45.5174.2-75.3-176.3-50.100112.1K788 L789 R794 R795K788-Q792 PolarHBondContact O-N 3.3Å; K788-Q792 VanDerWaalsContact O-N 3.07Å; L789-Q792 PolarHBondContact O-N 2.93Å; L789-Q792 VanDerWaalsContact O-N 3.11Å; Q792-R794 VanDerWaalsContact C-N 3.29Å; Q792-R794 PolarHBondContact O-N 3.45Å; Q792-R795 PolarHBondContact O-N 3.47Å; Q792-R795 VanDerWaalsContact O-N 3.11Å
793M68.6Low71.4Confident49 Ų4989.4 Ų89.424%0.24142%0.415CS..Hα-helixtrans-46.9-53.9172.4-76.6-174.284.400111.6Y742 L789 L790 R795 Q796Y742-M793 HydrophobicContact CD1-CG 3.72Å; Y742-M793 HydrophobicContact CD1-SD 4.34Å; Y742-M793 HydrophobicContact CD2-CE 4.06Å; Y742-M793 HydrophobicContact CD2-CG 3.39Å; Y742-M793 HydrophobicContact CD2-SD 4.15Å; Y742-M793 HydrophobicContact CE1-CG 3.95Å; Y742-M793 HydrophobicContact CE2-CG 3.66Å; Y742-M793 HydrophobicContact CG-CE 4.15Å; Y742-M793 HydrophobicContact CG-CG 3.42Å; Y742-M793 VanDerWaalsContact CG-CG 3.42Å; Y742-M793 HydrophobicContact CG-SD 3.82Å; L789-M793 PolarHBondContact O-N 3.22Å; L790-M793 HydrophobicContact CD2-SD 3.81Å; M793-R795 PolarHBondContact O-N 2.91Å; M793-Q796 PolarHBondContact O-N 3.37Å
794R69.2Low70.6Confident171 Ų17190.1 Ų90.165%0.64542%0.421SS*.THydrogen-bonded Turntrans-70.9-0.9-172.2-66.5168.3-172.6176.54.1113.4E738 L790 Q792E738-R794 IonicContact OE2-CZ 3.04Å; E738-R794 IonicContact OE2-NH2 2.78Å; E738-R794 PolarHBondContact OE2-NH2 2.97Å; L790-R794 WeakPolarHBondContact O-CD 3.37Å; L790-R794 VanDerWaalsContact O-CG 3.22Å; L790-R794 WeakPolarHBondContact O-CG 3.08Å; L790-R794 PolarHBondContact O-N 3.24Å; Q792-R794 VanDerWaalsContact C-N 3.29Å; Q792-R794 PolarHBondContact O-N 3.45Å
795R62.2Low70.1Confident157 Ų15788 Ų8859%0.59240%0.397SS*.THydrogen-bonded Turntrans-111.2-9.7-178.8-102-175.2160.3-155.4-9.2116.7W791 Q792 M793 N797W791-R795 VanDerWaalsContact CZ2-NH1 3.32Å; Q792-R795 PolarHBondContact O-N 3.47Å; Q792-R795 VanDerWaalsContact O-N 3.11Å; M793-R795 PolarHBondContact O-N 2.91Å; R795-N797 PolarHBondContact O-N 3.11Å
796Q55.6Low69.9Low170 Ų17094 Ų9479%0.79442%0.423SS*.THydrogen-bonded Turntrans32.474173.4-75.3-165.3-2100116.2M793 K798M793-Q796 PolarHBondContact O-N 3.37Å; Q796-K798 PolarHBondContact O-N 2.78Å
797N54.8Low69.4Low113 Ų113100.2 Ų100.260%0.60446%0.456SS*.THydrogen-bonded Turntrans37.340.7161.6-72.9-17.9000117.1R795 R799 L821R795-N797 PolarHBondContact O-N 3.11Å; N797-R799 PolarHBondContact O-N 2.67Å; N797-L821 WeakPolarHBondContact ND2-CD1 3.32Å
798K57.1Low68.8Low182 Ų18297.3 Ų97.379%0.79144%0.439SS*.  trans-66.5121.9-175.5-112.9177.1179.3174.40110.7Q796 P800Q796-K798 PolarHBondContact O-N 2.78Å; K798-P800 WeakPolarHBondContact O-CD 3.09Å
799R61.5Low68.6Low155 Ų15598.2 Ų98.259%0.58545%0.453SS*.  trans-50.2113.4173.4177.4168.4-179.4158.11.9109N797 W823 L867N797-R799 PolarHBondContact O-N 2.67Å; R799-W823 HydrophobicContact CG-CE3 3.86Å; R799-W823 HydrophobicContact CG-CZ3 3.81Å; R799-L867 VanDerWaalsContact NH2-CD2 3.27Å
800P65.7Low68.4Low22 Ų2299.6 Ų99.614%0.14346%0.457CS..  trans-86.5149.2-162.738-39.7000110.7K798 E804 W823 R904K798-P800 WeakPolarHBondContact O-CD 3.09Å; P800-E804 WeakPolarHBondContact CB-OE2 3.27Å; P800-W823 HydrophobicContact CG-CD2 4.3Å; P800-R904 VanDerWaalsContact CB-NH1 3.33Å
801T72.5Confident68.1Low73 Ų73102 Ų10245%0.44847%0.47SS..  trans-75.2153.4-159.367.30000113.3E803 E804 R805 R904T801-E803 PolarHBondContact O-N 2.86Å; T801-E804 PolarHBondContact N-OE2 3.33Å; T801-E804 WeakPolarHBondContact O-CB 3.46Å; T801-E804 PolarHBondContact O-N 2.73Å; T801-E804 VanDerWaalsContact O-N 3.15Å; T801-E804 VanDerWaalsContact OG1-CD 3.28Å; T801-E804 VanDerWaalsContact OG1-CG 3.28Å; T801-E804 WeakPolarHBondContact OG1-CG 3.48Å; T801-E804 PolarHBondContact OG1-OE1 2.95Å; T801-R805 VanDerWaalsContact O-CG 3.31Å; T801-R805 WeakPolarHBondContact O-CG 3.46Å; T801-R805 PolarHBondContact O-N 3.11Å; T801-R904 PolarHBondContact O-NH1 2.85Å
802D71.5Confident67.7Low92 Ų92101.2 Ų101.249%0.49247%0.47SS..Hα-helixtrans-59.6-29-178.9-83.12.1000113.8R805 K806 F870D802-R805 PolarHBondContact O-N 3.15Å; D802-R805 WeakPolarHBondContact OD1-CD 3.36Å; D802-R805 IonicContact OD1-CZ 2.61Å; D802-R805 IonicContact OD1-NE 2.71Å; D802-R805 IonicContact OD1-NH1 2.68Å; D802-R805 PolarHBondContact OD1-NH1 3.36Å; D802-K806 PolarHBondContact O-N 2.91Å; D802-F870 HydrophobicContact CB-CE2 4.09Å; D802-F870 HydrophobicContact CB-CZ 4.1Å
803E74.6Confident67.6Low152 Ų152105.4 Ų105.471%0.7150%0.498SS*.Hα-helixtrans-69.2-45.3176.7-164.2157.8-117.800111.4T801 R805 K806 N807T801-E803 PolarHBondContact O-N 2.86Å; E803-R805 VanDerWaalsContact C-N 3.33Å; E803-R805 PolarHBondContact O-N 3.19Å; E803-K806 PolarHBondContact O-N 3.14Å; E803-N807 PolarHBondContact O-N 3.48Å; E803-N807 PolarHBondContact O-ND2 3.15Å
804E71.8Confident67.5Low87 Ų87110.1 Ų110.141%0.40751%0.513SS..Hα-helixtrans-67.1-30.4169.3-59.9162.1-168.400112.8P800 T801 K806 N807 F808 R904P800-E804 WeakPolarHBondContact CB-OE2 3.27Å; T801-E804 PolarHBondContact N-OE2 3.33Å; T801-E804 WeakPolarHBondContact O-CB 3.46Å; T801-E804 PolarHBondContact O-N 2.73Å; T801-E804 VanDerWaalsContact O-N 3.15Å; T801-E804 VanDerWaalsContact OG1-CD 3.28Å; T801-E804 VanDerWaalsContact OG1-CG 3.28Å; T801-E804 WeakPolarHBondContact OG1-CG 3.48Å; T801-E804 PolarHBondContact OG1-OE1 2.95Å; E804-K806 VanDerWaalsContact C-N 3.31Å; E804-N807 PolarHBondContact O-N 2.89Å; E804-F808 PolarHBondContact O-N 3.22Å; E804-R904 VanDerWaalsContact CB-CZ 3.47Å; E804-R904 VanDerWaalsContact CB-NH2 3.3Å; E804-R904 IonicContact OE2-CZ 3.91Å; E804-R904 IonicContact OE2-NH1 3.68Å; E804-R904 PolarHBondContact OE2-NH1 2.99Å; E804-R904 IonicContact OE2-NH2 2.98Å; E804-R904 PolarHBondContact OE2-NH2 3.43Å
805R73Confident67.5Low27 Ų27102.4 Ų102.410%0.10248%0.484CS..Hα-helixtrans-69.3-29176.3-67.6171.369.3-138.2-1.8111.5T801 D802 E803 K868 F870 R904T801-R805 VanDerWaalsContact O-CG 3.31Å; T801-R805 WeakPolarHBondContact O-CG 3.46Å; T801-R805 PolarHBondContact O-N 3.11Å; D802-R805 PolarHBondContact O-N 3.15Å; D802-R805 WeakPolarHBondContact OD1-CD 3.36Å; D802-R805 IonicContact OD1-CZ 2.61Å; D802-R805 IonicContact OD1-NE 2.71Å; D802-R805 IonicContact OD1-NH1 2.68Å; D802-R805 PolarHBondContact OD1-NH1 3.36Å; E803-R805 VanDerWaalsContact C-N 3.33Å; E803-R805 PolarHBondContact O-N 3.19Å; R805-K868 PolarHBondContact NH1-O 3.42Å; R805-K868 PolarHBondContact NH2-O 3.34Å; R805-F870 HydrophobicContact CB-CD2 3.64Å; R805-F870 HydrophobicContact CB-CE2 3.78Å; R805-R904 VanDerWaalsContact CG-NH1 3.31Å
806K73Confident67.6Low136 Ų13697 Ų9759%0.59147%0.469SS*.Hα-helixtrans-71.7-42.2169.6-78179.2175.9178.70112.3D802 E803 E804 F808 F870D802-K806 PolarHBondContact O-N 2.91Å; E803-K806 PolarHBondContact O-N 3.14Å; E804-K806 VanDerWaalsContact C-N 3.31Å; K806-F808 PolarHBondContact O-N 3.02Å; K806-F808 VanDerWaalsContact O-N 3.16Å; K806-F870 HydrophobicContact CD-CD1 4.42Å; K806-F870 HydrophobicContact CG-CB 4.02Å; K806-F870 HydrophobicContact CG-CD1 3.65Å; K806-F870 HydrophobicContact CG-CD2 3.89Å; K806-F870 HydrophobicContact CG-CE1 4.04Å; K806-F870 HydrophobicContact CG-CE2 4.25Å; K806-F870 HydrophobicContact CG-CG 3.57Å; K806-F870 HydrophobicContact CG-CZ 4.32Å
807N74.2Confident67.7Low130 Ų13090.8 Ų90.870%0.69544%0.441SS*.SBendtrans-79.613.5-178.4-63.1-18.3000113.4E803 E804 V809E803-N807 PolarHBondContact O-N 3.48Å; E803-N807 PolarHBondContact O-ND2 3.15Å; E804-N807 PolarHBondContact O-N 2.89Å; N807-V809 PolarHBondContact O-N 3.04Å
808F70.1Confident68.2Low31 Ų3185.6 Ų85.614%0.13641%0.414CS..  trans-79.1114-177.3179.1-106.4000112.3E804 K806 Y815 I903 R904E804-F808 PolarHBondContact O-N 3.22Å; K806-F808 PolarHBondContact O-N 3.02Å; K806-F808 VanDerWaalsContact O-N 3.16Å; F808-Y815 HydrophobicContact CZ-CE2 4.14Å; F808-I903 HydrophobicContact CE1-CB 4.18Å; F808-I903 HydrophobicContact CE1-CD1 4.38Å; F808-I903 HydrophobicContact CE1-CG2 3.69Å; F808-I903 HydrophobicContact CE2-CG2 4.17Å; F808-I903 HydrophobicContact CZ-CB 4.32Å; F808-I903 HydrophobicContact CZ-CG2 3.34Å; F808-R904 HydrophobicContact CD2-CG 4.22Å
809V70.6Confident68.7Low122 Ų12277.2 Ų77.274%0.73938%0.378SS*.  trans-102.6129.6170.3-177.80000109N807N807-V809 PolarHBondContact O-N 3.04Å
810Y70.6Confident69Low48 Ų4870 Ų7019%0.18835%0.35CS..  trans-77.2132.3176.8172.5-104000111.7K812 Y815 V839 P875 L877 I903Y810-K812 HydrophobicContact CE1-CB 4.12Å; Y810-Y815 AromaticContact CD2-CD2 3.93Å; Y810-Y815 HydrophobicContact CD2-CD2 3.93Å; Y810-Y815 HydrophobicContact CD2-CE2 4.31Å; Y810-Y815 AromaticContact CE2-CD2 3.67Å; Y810-Y815 HydrophobicContact CE2-CD2 3.67Å; Y810-Y815 HydrophobicContact CE2-CE2 4.47Å; Y810-Y815 HydrophobicContact CE2-CG 4.23Å; Y810-V839 HydrophobicContact CE1-CG1 4.45Å; Y810-V839 WeakPolarHBondContact OH-CG1 3.35Å; Y810-V839 WeakPolarHBondContact OH-CG2 3.2Å; Y810-P875 HydrophobicContact CD1-CG 3.76Å; Y810-P875 HydrophobicContact CE1-CG 3.61Å; Y810-P875 HydrophobicContact CE2-CG 4.49Å; Y810-P875 HydrophobicContact CG-CG 4.27Å; Y810-L877 HydrophobicContact CE2-CD2 4.21Å; Y810-I903 HydrophobicContact CD2-CD1 3.56Å; Y810-I903 HydrophobicContact CE2-CD1 3.99Å; Y810-I903 HydrophobicContact CG-CD1 4.39Å
811D71.6Confident69.1Low54 Ų5470.1 Ų70.129%0.28935%0.35SS..  trans-121.8111.2177.9177.3-7.1000109.3T813 R814 Y815D811-T813 PolarHBondContact O-N 2.79Å; D811-T813 WeakPolarHBondContact OD1-CB 3.36Å; D811-T813 PolarHBondContact OD1-N 2.72Å; D811-T813 PolarHBondContact OD1-OG1 3.31Å; D811-T813 PolarHBondContact OD2-OG1 2.89Å; D811-R814 HydrophobicContact CB-CG 4.24Å; D811-R814 PolarHBondContact O-N 2.7Å; D811-R814 WeakPolarHBondContact OD2-CD 3.49Å; D811-R814 WeakPolarHBondContact OD2-CG 3.44Å; D811-R814 IonicContact OD2-NE 2.91Å; D811-R814 PolarHBondContact OD2-NE 3.38Å; D811-Y815 WeakPolarHBondContact O-CD2 3.38Å
812K65.7Low68.8Low120 Ų12067.1 Ų67.152%0.52233%0.331SS..Hα-helixtrans-58.6-34.4-178.7-163.2-150.1175.1-1590112Y810 R814 V816Y810-K812 HydrophobicContact CE1-CB 4.12Å; K812-R814 VanDerWaalsContact C-N 3.27Å; K812-R814 PolarHBondContact O-N 3.44Å; K812-V816 HydrophobicContact CG-CG2 4.19Å
813T66.2Low68.7Low122 Ų12264.7 Ų64.775%0.74832%0.315SS*.Hα-helixtrans-70-24.3-172.868.90000113D811D811-T813 PolarHBondContact O-N 2.79Å; D811-T813 WeakPolarHBondContact OD1-CB 3.36Å; D811-T813 PolarHBondContact OD1-N 2.72Å; D811-T813 PolarHBondContact OD1-OG1 3.31Å; D811-T813 PolarHBondContact OD2-OG1 2.89Å
814R66.7Low68.3Low148 Ų14858.3 Ų58.356%0.55829%0.285SS*.Hα-helixtrans-84.7-31.1-179.1-68.1178.9-173.5-133.2-6.5114.2D811 K812 P907D811-R814 HydrophobicContact CB-CG 4.24Å; D811-R814 PolarHBondContact O-N 2.7Å; D811-R814 WeakPolarHBondContact OD2-CD 3.49Å; D811-R814 WeakPolarHBondContact OD2-CG 3.44Å; D811-R814 IonicContact OD2-NE 2.91Å; D811-R814 PolarHBondContact OD2-NE 3.38Å; K812-R814 VanDerWaalsContact C-N 3.27Å; K812-R814 PolarHBondContact O-N 3.44Å; R814-P907 HydrophobicContact CB-CG 3.85Å; R814-P907 VanDerWaalsContact O-CB 3.32Å; R814-P907 WeakPolarHBondContact O-CB 2.99Å; R814-P907 WeakPolarHBondContact O-CG 3.21Å
815Y68.6Low67.9Low9 Ų956.4 Ų56.44%0.03528%0.276CS..Hα-helixtrans-99.9-26.4-166.1-75-70.3000115.3F808 Y810 D811 N817 S818 I820 V836 L877 I903 S905 P907F808-Y815 HydrophobicContact CZ-CE2 4.14Å; Y810-Y815 AromaticContact CD2-CD2 3.93Å; Y810-Y815 HydrophobicContact CD2-CD2 3.93Å; Y810-Y815 HydrophobicContact CD2-CE2 4.31Å; Y810-Y815 AromaticContact CE2-CD2 3.67Å; Y810-Y815 HydrophobicContact CE2-CD2 3.67Å; Y810-Y815 HydrophobicContact CE2-CE2 4.47Å; Y810-Y815 HydrophobicContact CE2-CG 4.23Å; D811-Y815 WeakPolarHBondContact O-CD2 3.38Å; Y815-N817 PolarHBondContact O-N 3.46Å; Y815-S818 WeakPolarHBondContact CA-OG 3.37Å; Y815-S818 WeakPolarHBondContact O-CB 3.42Å; Y815-S818 PolarHBondContact O-N 3.26Å; Y815-S818 PolarHBondContact O-OG 3.47Å; Y815-I820 HydrophobicContact CD1-CG2 4Å; Y815-I820 HydrophobicContact CE1-CG2 4.1Å; Y815-V836 WeakPolarHBondContact O-CB 3.41Å; Y815-V836 WeakPolarHBondContact O-CG1 3.32Å; Y815-L877 HydrophobicContact CD1-CD1 4.05Å; Y815-L877 HydrophobicContact CG-CD1 4.3Å; Y815-I903 HydrophobicContact CE1-CG2 3.9Å; Y815-I903 HydrophobicContact CE2-CG2 3.84Å; Y815-I903 VanDerWaalsContact CZ-CG2 3.46Å; Y815-I903 WeakPolarHBondContact OH-CG2 3.46Å; Y815-S905 WeakPolarHBondContact CE1-O 3.29Å; Y815-S905 PolarHBondContact OH-O 2.6Å; Y815-P907 HydrophobicContact CD1-CB 4.32Å; Y815-P907 HydrophobicContact CD1-CG 4.23Å; Y815-P907 HydrophobicContact CE1-CB 4.42Å; Y815-P907 HydrophobicContact CE1-CG 4.11Å
816V63.9Low67Low43 Ų4362.5 Ų62.526%0.26130%0.303SS..THydrogen-bonded Turntrans-64.5135.4176.1178.50000110.3L682 K812 S818 V839L682-V816 HydrophobicContact CD1-CG1 4.42Å; L682-V816 HydrophobicContact CD2-CG1 4.13Å; K812-V816 HydrophobicContact CG-CG2 4.19Å; V816-S818 PolarHBondContact O-N 2.98Å; V816-V839 HydrophobicContact CG2-CG2 3.9Å
817N58Low66Low40 Ų4064.5 Ų64.521%0.21431%0.314CS..THydrogen-bonded Turntrans54.814.8-175.1-65.9-5.1000115.8Y815 V836 H910Y815-N817 PolarHBondContact O-N 3.46Å; N817-V836 WeakPolarHBondContact CA-O 3.32Å; N817-V836 PolarHBondContact N-O 3.31Å; N817-H910 VanDerWaalsContact CB-NE2 3.34Å; N817-H910 WeakPolarHBondContact CB-NE2 3.12Å
818S64.6Low64.7Low5 Ų567.4 Ų67.44%0.03532%0.321CS..  trans-81.9159.6174.171.10000112.6Y815 V816 V836Y815-S818 WeakPolarHBondContact CA-OG 3.37Å; Y815-S818 WeakPolarHBondContact O-CB 3.42Å; Y815-S818 PolarHBondContact O-N 3.26Å; Y815-S818 PolarHBondContact O-OG 3.47Å; V816-S818 PolarHBondContact O-N 2.98Å; S818-V836 PolarHBondContact O-N 3.08Å
819I67.6Low63.8Low6 Ų669.7 Ų69.73%0.03134%0.335CS..EExtended strand (participates in β ladder)trans-104125.6164.1-71.7168.2000109F833 V834 R835 I908 Y912 A913I819-F833 HydrophobicContact CG2-CB 4.06Å; I819-F833 HydrophobicContact CG2-CD1 4.28Å; I819-V834 WeakPolarHBondContact CA-O 3.48Å; I819-R835 HydrophobicContact CG1-CB 4.06Å; I819-I908 HydrophobicContact CG2-CD1 4.47Å; I819-I908 WeakPolarHBondContact O-CG1 3.22Å; I819-I908 PolarHBondContact O-N 3.49Å; I819-Y912 HydrophobicContact CB-CD1 4.29Å; I819-Y912 HydrophobicContact CD1-CD1 3.48Å; I819-Y912 VanDerWaalsContact CD1-CD1 3.48Å; I819-Y912 HydrophobicContact CD1-CE1 4.2Å; I819-Y912 HydrophobicContact CD1-CG 4.29Å; I819-Y912 HydrophobicContact CG1-CD1 4.46Å; I819-Y912 HydrophobicContact CG2-CD1 4.11Å; I819-Y912 HydrophobicContact CG2-CE1 4.12Å; I819-A913 HydrophobicContact CD1-CB 4.07Å
820I69.6Low62.8Low2 Ų267.4 Ų67.41%0.0132%0.317CS..EExtended strand (participates in β ladder)trans-115.9156.4-18066.6174.2000110.4Y815 V834 V836 L877 V901 P907Y815-I820 HydrophobicContact CD1-CG2 4Å; Y815-I820 HydrophobicContact CE1-CG2 4.1Å; I820-V834 HydrophobicContact CD1-CG1 4.48Å; I820-V834 HydrophobicContact CG1-CB 3.89Å; I820-V834 HydrophobicContact CG1-CG1 4.2Å; I820-V834 PolarHBondContact N-O 3.43Å; I820-V834 PolarHBondContact O-N 3.4Å; I820-V836 HydrophobicContact CD1-CG2 3.77Å; I820-V836 HydrophobicContact CG1-CG2 3.9Å; I820-V836 HydrophobicContact CG2-CG2 3.93Å; I820-L877 HydrophobicContact CD1-CD1 3.94Å; I820-V901 HydrophobicContact CD1-CG1 4.16Å; I820-P907 HydrophobicContact CG2-CB 4.42Å
821L67.6Low62Low26 Ų2669.2 Ų69.214%0.13633%0.33CS..  trans-121.1112.2-175.8-144.4165.4000108.7N797 W823 F833 S905N797-L821 WeakPolarHBondContact ND2-CD1 3.32Å; L821-W823 PolarHBondContact O-N 3.15Å; L821-F833 HydrophobicContact CD1-CD1 4.08Å; L821-F833 HydrophobicContact CD1-CE1 3.63Å; L821-F833 HydrophobicContact CG-CD1 4.06Å; L821-F833 HydrophobicContact CG-CE1 4.09Å; L821-S905 PolarHBondContact N-OG 3.49Å; L821-S905 VanDerWaalsContact N-OG 3.13Å; L821-S905 VanDerWaalsContact O-CB 3.3Å; L821-S905 WeakPolarHBondContact O-CB 3.3Å; L821-S905 PolarHBondContact O-OG 3.23Å
822P65.5Low61.5Low9 Ų968.2 Ų68.26%0.05833%0.325CS..  trans-66.687-177.2-25.236.7000113.3Y824 H825 N832 V834 V901P822-Y824 HydrophobicContact CB-CD1 4.49Å; P822-Y824 HydrophobicContact CB-CE1 4.1Å; P822-Y824 HydrophobicContact CB-CE2 4.17Å; P822-Y824 PolarHBondContact O-N 3.33Å; P822-H825 PolarHBondContact O-N 3.44Å; P822-N832 WeakPolarHBondContact CD-O 3.4Å; P822-V834 HydrophobicContact CG-CG2 3.81Å; P822-V901 HydrophobicContact CG-CG1 4.36Å
823W68.3Low61.6Low41 Ų4163.1 Ų63.116%0.15530%0.303CS..THydrogen-bonded Turntrans-56.6-8.4-179.262.7-92.1000115.7R799 P800 L821 L867 R904R799-W823 HydrophobicContact CG-CE3 3.86Å; R799-W823 HydrophobicContact CG-CZ3 3.81Å; P800-W823 HydrophobicContact CG-CD2 4.3Å; L821-W823 PolarHBondContact O-N 3.15Å; W823-L867 HydrophobicContact CH2-CD1 3.99Å; W823-L867 HydrophobicContact CH2-CD2 3.58Å; W823-L867 HydrophobicContact CH2-CG 4.47Å; W823-L867 HydrophobicContact CZ3-CD1 4.11Å; W823-L867 HydrophobicContact CZ3-CD2 3.79Å; W823-R904 HydrophobicContact CZ2-CB 4.45Å; W823-R904 PolarHBondContact NE1-O 2.98Å; W823-R904 VanDerWaalsContact NE1-O 3.11Å
824Y67.5Low61.8Low19 Ų1957.3 Ų57.38%0.07527%0.267CS..THydrogen-bonded Turntrans-98.3-12.9-179.753.9-101.4000114.6P822 Y861 L867 V901 M902P822-Y824 HydrophobicContact CB-CD1 4.49Å; P822-Y824 HydrophobicContact CB-CE1 4.1Å; P822-Y824 HydrophobicContact CB-CE2 4.17Å; P822-Y824 PolarHBondContact O-N 3.33Å; Y824-Y861 HydrophobicContact CD2-CE1 4.36Å; Y824-Y861 HydrophobicContact CE2-CD1 4.41Å; Y824-Y861 AromaticContact CE2-CE1 3.68Å; Y824-Y861 HydrophobicContact CE2-CE1 3.68Å; Y824-Y861 AromaticContact CZ-CE1 3.76Å; Y824-Y861 PolarHBondContact OH-OH 3.34Å; Y824-L867 HydrophobicContact CG-CD1 4.03Å; Y824-V901 WeakPolarHBondContact OH-CG1 3.49Å; Y824-M902 HydrophobicContact CE1-CB 4.2Å; Y824-M902 PolarHBondContact OH-N 3.2Å
825H63.8Low61.9Low46 Ų4653.4 Ų53.421%0.21325%0.252CS..SBendtrans-63.2147.9170.3-77.830.7000110.4P822 D829P822-H825 PolarHBondContact O-N 3.44Å; H825-D829 HydrophobicContact CB-CB 4.27Å
826K54.4Low62Low155 Ų15553 Ų5367%0.67425%0.251SS*.  trans-71.5158.2-179.9-69.7172-177.4164.90109.6K828 D829K826-K828 PolarHBondContact O-N 2.86Å; K826-D829 PolarHBondContact O-N 2.68Å
827H51.1Low62.1Low179 Ų17952.1 Ų52.183%0.82925%0.246SC*.THydrogen-bonded Turntrans-60.92.2-177.3-85.1-73.1000116.3I830H827-I830 HydrophobicContact CB-CD1 4.41Å; H827-I830 WeakPolarHBondContact O-CD1 3.35Å
828K47.6Very low62.6Low190 Ų19051.5 Ų51.583%0.82625%0.246SC*.THydrogen-bonded Turntrans-102.3-11.3170.3-69.6-165.1172-166.80114.1K826K826-K828 PolarHBondContact O-N 2.86Å
829D50.1Low63.2Low80 Ų8052.7 Ų52.743%0.42825%0.253SS..  trans-112.827.3-172.1-44.8-60.3000111.6H825 K826 D831H825-D829 HydrophobicContact CB-CB 4.27Å; K826-D829 PolarHBondContact O-N 2.68Å; D829-D831 PolarHBondContact O-N 3.03Å; D829-D831 VanDerWaalsContact O-N 3.11Å
830I50.6Low63.5Low73 Ų7355.7 Ų55.737%0.37426%0.264SS..THydrogen-bonded Turntrans-77.912.8-173.5-35.5178.6000112.1K749 H827K749-I830 PolarHBondContact NZ-O 2.93Å; H827-I830 HydrophobicContact CB-CD1 4.41Å; H827-I830 WeakPolarHBondContact O-CD1 3.35Å
831D53.8Low63.8Low87 Ų8763.7 Ų63.747%0.46530%0.298SS..THydrogen-bonded Turntrans-91.80.9-172.4-60.4-38000114K749 D829K749-D831 IonicContact NZ-OD1 3.48Å; K749-D831 PolarHBondContact NZ-OD1 3.41Å; D829-D831 PolarHBondContact O-N 3.03Å; D829-D831 VanDerWaalsContact O-N 3.11Å
832N60.1Low64.2Low33 Ų3367.4 Ų67.418%0.17632%0.319CS..  trans-115.381.1-169.1-75.4-8000111P822 Y881P822-N832 WeakPolarHBondContact CD-O 3.4Å; N832-Y881 HydrophobicContact CB-CD1 3.65Å; N832-Y881 HydrophobicContact CB-CE1 3.85Å
833F68.1Low64.9Low13 Ų1368.1 Ų68.16%0.05732%0.321CS..EExtended strand (participates in β ladder)trans-63.7150.3159.2-62.3-81.5000109.1I819 L821 V882 Y912I819-F833 HydrophobicContact CG2-CB 4.06Å; I819-F833 HydrophobicContact CG2-CD1 4.28Å; L821-F833 HydrophobicContact CD1-CD1 4.08Å; L821-F833 HydrophobicContact CD1-CE1 3.63Å; L821-F833 HydrophobicContact CG-CD1 4.06Å; L821-F833 HydrophobicContact CG-CE1 4.09Å; F833-V882 HydrophobicContact CB-CB 4.08Å; F833-V882 PolarHBondContact O-N 2.94Å; F833-Y912 AromaticContact CE1-CZ 3.96Å; F833-Y912 WeakPolarHBondContact CE1-OH 3.46Å; F833-Y912 WeakPolarHBondContact CZ-OH 3.34Å
834V69.4Low65.7Low0 Ų068.7 Ų68.70%033%0.327CS..EExtended strand (participates in β ladder)trans-124.2120.1178.1175.90000109.2I819 I820 P822 Y881 V901I819-V834 WeakPolarHBondContact CA-O 3.48Å; I820-V834 HydrophobicContact CD1-CG1 4.48Å; I820-V834 HydrophobicContact CG1-CB 3.89Å; I820-V834 HydrophobicContact CG1-CG1 4.2Å; I820-V834 PolarHBondContact N-O 3.43Å; I820-V834 PolarHBondContact O-N 3.4Å; P822-V834 HydrophobicContact CG-CG2 3.81Å; V834-Y881 HydrophobicContact CG2-CD1 3.55Å; V834-Y881 HydrophobicContact CG2-CE1 3.54Å; V834-V901 HydrophobicContact CG1-CB 4.37Å; V834-V901 HydrophobicContact CG1-CG1 4.36Å; V834-V901 HydrophobicContact CG1-CG2 4.06Å; V834-V901 HydrophobicContact CG2-CG1 4.33Å; V834-V901 HydrophobicContact CG2-CG2 4.35Å
835R68.9Low66.5Low65 Ų6567.8 Ų67.825%0.24532%0.324CS..EExtended strand (participates in β ladder)trans-83.6121.2168.1166.3177.6159.3-144.6-6.7107.8I819 V837 G879 D880 V882I819-R835 HydrophobicContact CG1-CB 4.06Å; R835-V837 HydrophobicContact CG-CG2 4.35Å; R835-V837 PolarHBondContact O-N 3.15Å; R835-G879 CarbonylContact O-C 3.6Å; R835-G879 WeakPolarHBondContact O-CA 3.13Å; R835-D880 PolarHBondContact N-O 3.32Å; R835-D880 PolarHBondContact O-N 2.96Å; R835-V882 HydrophobicContact CB-CG2 3.44Å; R835-V882 VanDerWaalsContact CB-CG2 3.44Å
836V71.2Confident67.5Low1 Ų170.5 Ų70.51%0.00634%0.339CS..EExtended strand (participates in β ladder)trans-76.5106176.3-1790000108.4Y815 N817 S818 I820 L877Y815-V836 WeakPolarHBondContact O-CB 3.41Å; Y815-V836 WeakPolarHBondContact O-CG1 3.32Å; N817-V836 WeakPolarHBondContact CA-O 3.32Å; N817-V836 PolarHBondContact N-O 3.31Å; S818-V836 PolarHBondContact O-N 3.08Å; I820-V836 HydrophobicContact CD1-CG2 3.77Å; I820-V836 HydrophobicContact CG1-CG2 3.9Å; I820-V836 HydrophobicContact CG2-CG2 3.93Å; V836-L877 HydrophobicContact CG1-CB 4.16Å; V836-L877 HydrophobicContact CG1-CD1 4.1Å; V836-L877 HydrophobicContact CG1-CD2 3.97Å; V836-L877 HydrophobicContact CG1-CG 4.3Å; V836-L877 HydrophobicContact CG2-CD1 3.84Å
837V66.6Low68.9Low25 Ų2564 Ų6415%0.15231%0.314CS..EExtended strand (participates in β ladder)trans-86.9-41.1-178.4-177.60000110.7L682 R835 C878 D880L682-V837 VanDerWaalsContact CD1-O 3.24Å; L682-V837 WeakPolarHBondContact CD1-O 3.32Å; R835-V837 HydrophobicContact CG-CG2 4.35Å; R835-V837 PolarHBondContact O-N 3.15Å; V837-C878 PolarHBondContact N-O 3.48Å; V837-D880 HydrophobicContact CG2-CB 4.18Å; V837-D880 WeakPolarHBondContact CG2-OD2 3.39Å
838A69Low70.2Confident27 Ų2759.8 Ų59.822%0.22330%0.302CS..EExtended strand (participates in β ladder)trans-149.1166.1-177.300000112.5C878A838-C878 HydrophobicContact CB-CB 4.24Å; A838-C878 PolarHBondContact N-O 3.38Å; A838-C878 VanDerWaalsContact N-O 3.15Å; A838-C878 PolarHBondContact O-N 3.38Å
839V75.5Confident71.4Confident29 Ų2951.3 Ų51.318%0.17627%0.267CS..EExtended strand (participates in β ladder)trans-115.6108.8177.5-178.60000108.1Y810 V816 K841 P875 L877Y810-V839 HydrophobicContact CE1-CG1 4.45Å; Y810-V839 WeakPolarHBondContact OH-CG1 3.35Å; Y810-V839 WeakPolarHBondContact OH-CG2 3.2Å; V816-V839 HydrophobicContact CG2-CG2 3.9Å; V839-K841 VanDerWaalsContact C-N 3.32Å; V839-K841 HydrophobicContact CG1-CG 4.45Å; V839-K841 PolarHBondContact O-N 2.9Å; V839-P875 HydrophobicContact CG1-CB 3.82Å; V839-P875 HydrophobicContact CG1-CG 3.82Å; V839-L877 HydrophobicContact CG1-CD2 4.43Å; V839-L877 HydrophobicContact CG2-CD2 3.93Å
840R75.9Confident72.2Confident69 Ų6953.8 Ų53.826%0.2628%0.28SS..EExtended strand (participates in β ladder)trans-78.182.6178.5-69-66.9-64.5-87.21.5109.4D842 M843 L876 C878R840-D842 VanDerWaalsContact C-OD1 3.3Å; R840-D842 VanDerWaalsContact CA-OD1 3.27Å; R840-D842 WeakPolarHBondContact CA-OD1 3.47Å; R840-D842 WeakPolarHBondContact CB-OD1 3.35Å; R840-D842 WeakPolarHBondContact CD-OD1 3.15Å; R840-D842 IonicContact CZ-OD1 3Å; R840-D842 IonicContact CZ-OD2 3.03Å; R840-D842 VanDerWaalsContact CZ-OD2 3.25Å; R840-D842 IonicContact NE-OD1 3.67Å; R840-D842 PolarHBondContact NE-OD1 3.04Å; R840-D842 IonicContact NE-OD2 2.68Å; R840-D842 PolarHBondContact NE-OD2 3.03Å; R840-D842 IonicContact NH2-OD2 2.69Å; R840-D842 PolarHBondContact NH2-OD2 3.28Å; R840-D842 PolarHBondContact O-N 2.86Å; R840-M843 HydrophobicContact CB-CB 3.99Å; R840-M843 HydrophobicContact CB-CG 4.07Å; R840-M843 HydrophobicContact CB-SD 4.32Å; R840-M843 HydrophobicContact CG-SD 4.36Å; R840-M843 PolarHBondContact NH2-SD 3.35Å; R840-M843 VanDerWaalsContact NH2-SD 3.35Å; R840-M843 PolarHBondContact O-N 3.32Å; R840-L876 PolarHBondContact N-O 2.99Å; R840-C878 HydrophobicContact CG-CB 4.12Å
841K75.1Confident72.9Confident170 Ų17054.4 Ų54.474%0.73928%0.28SS*.THydrogen-bonded Turntrans-61-23.9174.8-68.1-178.6179.71750113.2V839 M843V839-K841 VanDerWaalsContact C-N 3.32Å; V839-K841 HydrophobicContact CG1-CG 4.45Å; V839-K841 PolarHBondContact O-N 2.9Å; K841-M843 VanDerWaalsContact C-N 3.29Å
842D76.6Confident73.3Confident105 Ų10553.7 Ų53.756%0.56129%0.293SS*.THydrogen-bonded Turntrans-76.6-12.9175.661.4-55000113.3R840R840-D842 VanDerWaalsContact C-OD1 3.3Å; R840-D842 VanDerWaalsContact CA-OD1 3.27Å; R840-D842 WeakPolarHBondContact CA-OD1 3.47Å; R840-D842 WeakPolarHBondContact CB-OD1 3.35Å; R840-D842 WeakPolarHBondContact CD-OD1 3.15Å; R840-D842 IonicContact CZ-OD1 3Å; R840-D842 IonicContact CZ-OD2 3.03Å; R840-D842 VanDerWaalsContact CZ-OD2 3.25Å; R840-D842 IonicContact NE-OD1 3.67Å; R840-D842 PolarHBondContact NE-OD1 3.04Å; R840-D842 IonicContact NE-OD2 2.68Å; R840-D842 PolarHBondContact NE-OD2 3.03Å; R840-D842 IonicContact NH2-OD2 2.69Å; R840-D842 PolarHBondContact NH2-OD2 3.28Å; R840-D842 PolarHBondContact O-N 2.86Å
843M80.5Confident73.9Confident23 Ų2356 Ų5611%0.11333%0.325CS..  trans-123.1137-179.7-55.4-174.478.700111.9R840 K841 S847 F857 P875 L876R840-M843 HydrophobicContact CB-CB 3.99Å; R840-M843 HydrophobicContact CB-CG 4.07Å; R840-M843 HydrophobicContact CB-SD 4.32Å; R840-M843 HydrophobicContact CG-SD 4.36Å; R840-M843 PolarHBondContact NH2-SD 3.35Å; R840-M843 VanDerWaalsContact NH2-SD 3.35Å; R840-M843 PolarHBondContact O-N 3.32Å; K841-M843 VanDerWaalsContact C-N 3.29Å; M843-S847 WeakPolarHBondContact CA-OG 3.39Å; M843-F857 HydrophobicContact CE-CE2 3.62Å; M843-F857 HydrophobicContact CE-CZ 4.29Å; M843-P875 WeakPolarHBondContact O-CA 3.38Å; M843-L876 HydrophobicContact CB-CB 4.36Å; M843-L876 HydrophobicContact CB-CD1 4.03Å; M843-L876 HydrophobicContact CB-CG 4.35Å; M843-L876 PolarHBondContact O-N 2.84Å
844N84.7Confident74.5Confident53 Ų5357.6 Ų57.628%0.28333%0.332SS..  trans-130.8175.5173.769.932000109.5L846 S847N844-L846 PolarHBondContact O-N 3.19Å; N844-L846 WeakPolarHBondContact OD1-CA 3.45Å; N844-L846 WeakPolarHBondContact OD1-CB 3.44Å; N844-L846 PolarHBondContact OD1-N 3.47Å; N844-S847 PolarHBondContact N-OG 3.29Å; N844-S847 VanDerWaalsContact O-CB 3.24Å; N844-S847 WeakPolarHBondContact O-CB 3.46Å; N844-S847 PolarHBondContact O-N 2.83Å; N844-S847 PolarHBondContact O-OG 2.92Å; N844-S847 PolarHBondContact OD1-N 3.15Å
845P82.7Confident75.1Confident0 Ų061.4 Ų61.40%036%0.363CS..THydrogen-bonded Turntrans-55.2-20.5178.8-31.937.3000116.1F857 A858 I869 L872 Q874 L876 M902P845-F857 PolarHBondContact O-N 2.97Å; P845-A858 HydrophobicContact CB-CB 4.09Å; P845-A858 WeakPolarHBondContact O-CB 3.45Å; P845-A858 PolarHBondContact O-N 3.43Å; P845-I869 HydrophobicContact CB-CD1 4.45Å; P845-I869 HydrophobicContact CB-CG2 4.26Å; P845-I869 HydrophobicContact CG-CG2 4.25Å; P845-L872 HydrophobicContact CB-CD2 4.03Å; P845-L872 WeakPolarHBondContact CD-O 3.36Å; P845-Q874 WeakPolarHBondContact CD-O 3.12Å; P845-Q874 HydrophobicContact CG-CG 4.05Å; P845-L876 HydrophobicContact CG-CD2 4.3Å; P845-M902 HydrophobicContact CB-CE 4.02Å; P845-M902 HydrophobicContact CG-CE 3.4Å; P845-M902 VanDerWaalsContact CG-CE 3.4Å
846L85.2Confident75.9Confident103 Ų10359.1 Ų59.154%0.53936%0.357SS..THydrogen-bonded Turntrans-88.8-7.4176-61.1174.2000113.4N844 A858 L872N844-L846 PolarHBondContact O-N 3.19Å; N844-L846 WeakPolarHBondContact OD1-CA 3.45Å; N844-L846 WeakPolarHBondContact OD1-CB 3.44Å; N844-L846 PolarHBondContact OD1-N 3.47Å; L846-A858 HydrophobicContact CD2-CB 4.49Å; L846-L872 HydrophobicContact CD1-CB 4.22Å; L846-L872 HydrophobicContact CD1-CD1 4.47Å; L846-L872 HydrophobicContact CD2-CD1 4.37Å; L846-L872 HydrophobicContact CD2-CD2 4.1Å; L846-L872 HydrophobicContact CG-CB 4.27Å; L846-L872 HydrophobicContact CG-CD2 4.32Å
847S84.5Confident76.4Confident19 Ų1959.3 Ų59.313%0.13336%0.358CS..SBendtrans-63.4150.7173.5-60.70000111.9M843 N844 S856 F857M843-S847 WeakPolarHBondContact CA-OG 3.39Å; N844-S847 PolarHBondContact N-OG 3.29Å; N844-S847 VanDerWaalsContact O-CB 3.24Å; N844-S847 WeakPolarHBondContact O-CB 3.46Å; N844-S847 PolarHBondContact O-N 2.83Å; N844-S847 PolarHBondContact O-OG 2.92Å; N844-S847 PolarHBondContact OD1-N 3.15Å; S847-S856 VanDerWaalsContact O-CA 3.22Å; S847-S856 WeakPolarHBondContact O-CA 3.44Å; S847-F857 WeakPolarHBondContact O-CD2 3.46Å; S847-F857 PolarHBondContact O-N 2.81Å
848P78.7Confident77.1Confident90 Ų9058.8 Ų58.858%0.58436%0.356SS*.PPolyproline II helixtrans-56.6145.6176.3-23.133.6000112.3F857P848-F857 WeakPolarHBondContact O-CE2 3.39Å
849C72.6Confident77.8Confident12 Ų1260 Ų608%0.08136%0.358CS..PPolyproline II helixtrans-103.8120.2174.5-173.10000109.7F851 F857C849-F851 PolarHBondContact O-N 3.44Å; C849-F851 VanDerWaalsContact O-N 3.14Å; C849-F851 PolarHBondContact SG-O 3.44Å; C849-F851 VanDerWaalsContact SG-O 3.42Å; C849-F857 HydrophobicContact CB-CD1 4.43Å; C849-F857 HydrophobicContact CB-CD2 4.32Å; C849-F857 HydrophobicContact CB-CE1 4.43Å; C849-F857 HydrophobicContact CB-CE2 4.32Å; C849-F857 HydrophobicContact CB-CG 4.37Å; C849-F857 HydrophobicContact CB-CZ 4.37Å
850D67.7Low78.1Confident132 Ų13261.6 Ų61.671%0.70636%0.361SS*.SBendtrans-70.2-7.1-179.9-58-38.3000113
851F64.1Low78.3Confident87 Ų8758.7 Ų58.738%0.38235%0.35SS..SBendtrans-119.1129.7-169.3-35.3-65.7000111.7C849 G853 F857C849-F851 PolarHBondContact O-N 3.44Å; C849-F851 VanDerWaalsContact O-N 3.14Å; C849-F851 PolarHBondContact SG-O 3.44Å; C849-F851 VanDerWaalsContact SG-O 3.42Å; F851-G853 VanDerWaalsContact C-N 3.34Å; F851-G853 PolarHBondContact O-N 3.48Å; F851-F857 HydrophobicContact CE2-CE1 4.45Å; F851-F857 HydrophobicContact CE2-CZ 4.37Å
852G62.3Low78.6Confident72 Ų7254.5 Ų54.574%0.74233%0.333SS*.THydrogen-bonded Turntrans77.73.2169.100000117F854G852-F854 WeakPolarHBondContact O-CE2 3.26Å
853G73Confident78.8Confident81 Ų8156 Ų5684%0.83534%0.335SS*.THydrogen-bonded Turntrans7822.6173.200000115.5F851F851-G853 VanDerWaalsContact C-N 3.34Å; F851-G853 PolarHBondContact O-N 3.48Å
854F81.1Confident78.6Confident47 Ų4757.3 Ų57.321%0.20635%0.346CS..  trans-87.5141.6173.6-58-89.7000110.4G852 S856 E859 Y860 K863 S864G852-F854 WeakPolarHBondContact O-CE2 3.26Å; F854-S856 PolarHBondContact O-N 3.09Å; F854-E859 HydrophobicContact CD1-CG 4.21Å; F854-Y860 AromaticContact CD2-CD2 3.72Å; F854-Y860 HydrophobicContact CD2-CD2 3.72Å; F854-Y860 HydrophobicContact CD2-CG 4.41Å; F854-Y860 AromaticContact CE2-CD2 3.7Å; F854-Y860 HydrophobicContact CE2-CD2 3.7Å; F854-Y860 HydrophobicContact CE2-CE2 4.42Å; F854-Y860 HydrophobicContact CG-CD2 4.42Å; F854-Y860 HydrophobicContact CZ-CD2 4.38Å; F854-K863 HydrophobicContact CD1-CB 4.43Å; F854-K863 HydrophobicContact CD1-CD 4.16Å; F854-K863 HydrophobicContact CE1-CB 3.83Å; F854-K863 HydrophobicContact CE1-CD 3.99Å; F854-S864 VanDerWaalsContact CZ-OG 3.26Å; F854-S864 WeakPolarHBondContact CZ-OG 3.43Å
855A80.3Confident78Confident79 Ų7956.8 Ų56.865%0.65334%0.342SS*.SBendtrans-71.9-17.8-17800000113.4E859A855-E859 WeakPolarHBondContact CB-OE2 3.31Å; A855-E859 PolarHBondContact N-OE2 2.98Å
856S85.7Confident77.8Confident18 Ų1863.2 Ų63.213%0.12638%0.376CS..SBendtrans-155.5162.6173.561.10000112.9S847 F854 A858 E859 Y860S847-S856 VanDerWaalsContact O-CA 3.22Å; S847-S856 WeakPolarHBondContact O-CA 3.44Å; F854-S856 PolarHBondContact O-N 3.09Å; S856-A858 PolarHBondContact O-N 3.39Å; S856-E859 PolarHBondContact O-N 3.35Å; S856-E859 PolarHBondContact OG-N 3.02Å; S856-Y860 PolarHBondContact O-N 2.95Å
857F81.6Confident77.3Confident4 Ų458.6 Ų58.62%0.01835%0.352CS..Hα-helixtrans-58.6-36.1170.4-76.6-82.8000112.6M843 P845 S847 P848 C849 F851 E859 Y860 Y861 L876 A900M843-F857 HydrophobicContact CE-CE2 3.62Å; M843-F857 HydrophobicContact CE-CZ 4.29Å; P845-F857 PolarHBondContact O-N 2.97Å; S847-F857 WeakPolarHBondContact O-CD2 3.46Å; S847-F857 PolarHBondContact O-N 2.81Å; P848-F857 WeakPolarHBondContact O-CE2 3.39Å; C849-F857 HydrophobicContact CB-CD1 4.43Å; C849-F857 HydrophobicContact CB-CD2 4.32Å; C849-F857 HydrophobicContact CB-CE1 4.43Å; C849-F857 HydrophobicContact CB-CE2 4.32Å; C849-F857 HydrophobicContact CB-CG 4.37Å; C849-F857 HydrophobicContact CB-CZ 4.37Å; F851-F857 HydrophobicContact CE2-CE1 4.45Å; F851-F857 HydrophobicContact CE2-CZ 4.37Å; F857-E859 VanDerWaalsContact C-N 3.34Å; F857-E859 PolarHBondContact O-N 3.34Å; F857-Y860 WeakPolarHBondContact O-CB 3.26Å; F857-Y860 PolarHBondContact O-N 3.42Å; F857-Y861 HydrophobicContact CB-CE2 4.45Å; F857-Y861 HydrophobicContact CD1-CE2 4.43Å; F857-Y861 WeakPolarHBondContact O-CD2 3.11Å; F857-Y861 PolarHBondContact O-N 2.94Å; F857-L876 HydrophobicContact CB-CD1 4.33Å; F857-L876 HydrophobicContact CD1-CD1 4.25Å; F857-L876 HydrophobicContact CD2-CD1 3.51Å; F857-L876 HydrophobicContact CE2-CD1 3.81Å; F857-L876 HydrophobicContact CG-CD1 3.76Å; F857-L876 HydrophobicContact CZ-CD1 4.31Å; F857-A900 HydrophobicContact CE1-CB 3.78Å; F857-A900 HydrophobicContact CZ-CB 3.77Å
858A82.3Confident77Confident15 Ų1563.4 Ų63.412%0.12437%0.37CS..Hα-helixtrans-63.7-41.2177.600000111.8P845 L846 S856 E862 I869 L872P845-A858 HydrophobicContact CB-CB 4.09Å; P845-A858 WeakPolarHBondContact O-CB 3.45Å; P845-A858 PolarHBondContact O-N 3.43Å; L846-A858 HydrophobicContact CD2-CB 4.49Å; S856-A858 PolarHBondContact O-N 3.39Å; A858-E862 WeakPolarHBondContact O-CB 3.4Å; A858-E862 PolarHBondContact O-N 2.89Å; A858-I869 HydrophobicContact CB-CD1 4.11Å; A858-L872 HydrophobicContact CB-CD2 4.12Å
859E83.3Confident76.8Confident53 Ų5360.2 Ų60.225%0.24835%0.348CS..Hα-helixtrans-66.3-41.2173.4-171.1-174.2-162.600111.8F854 A855 S856 F857 Y861 E862 K863F854-E859 HydrophobicContact CD1-CG 4.21Å; A855-E859 WeakPolarHBondContact CB-OE2 3.31Å; A855-E859 PolarHBondContact N-OE2 2.98Å; S856-E859 PolarHBondContact O-N 3.35Å; S856-E859 PolarHBondContact OG-N 3.02Å; F857-E859 VanDerWaalsContact C-N 3.34Å; F857-E859 PolarHBondContact O-N 3.34Å; E859-Y861 PolarHBondContact O-N 2.91Å; E859-E862 PolarHBondContact O-N 3.23Å; E859-K863 HydrophobicContact CG-CD 3.83Å; E859-K863 HydrophobicContact CG-CG 4.21Å; E859-K863 VanDerWaalsContact O-CB 3.31Å; E859-K863 WeakPolarHBondContact O-CB 3.47Å; E859-K863 PolarHBondContact O-N 2.76Å; E859-K863 WeakPolarHBondContact OE1-CE 3.41Å; E859-K863 IonicContact OE1-NZ 3.25Å; E859-K863 PolarHBondContact OE1-NZ 3.3Å
860Y83.2Confident77.1Confident61 Ų6163.1 Ų63.124%0.23936%0.359CS..Hα-helixtrans-57.1-47.7174.8167.5-92.9000111.9F854 S856 F857 S864 H865F854-Y860 AromaticContact CD2-CD2 3.72Å; F854-Y860 HydrophobicContact CD2-CD2 3.72Å; F854-Y860 HydrophobicContact CD2-CG 4.41Å; F854-Y860 AromaticContact CE2-CD2 3.7Å; F854-Y860 HydrophobicContact CE2-CD2 3.7Å; F854-Y860 HydrophobicContact CE2-CE2 4.42Å; F854-Y860 HydrophobicContact CG-CD2 4.42Å; F854-Y860 HydrophobicContact CZ-CD2 4.38Å; S856-Y860 PolarHBondContact O-N 2.95Å; F857-Y860 WeakPolarHBondContact O-CB 3.26Å; F857-Y860 PolarHBondContact O-N 3.42Å; Y860-S864 WeakPolarHBondContact O-CA 3.45Å; Y860-S864 WeakPolarHBondContact O-CB 3.49Å; Y860-S864 PolarHBondContact O-N 3.04Å; Y860-S864 PolarHBondContact O-OG 3.47Å; Y860-S864 VanDerWaalsContact O-OG 3.04Å; Y860-H865 AromaticContact CE1-CD2 3.6Å; Y860-H865 AromaticContact CE1-NE2 3.5Å; Y860-H865 AromaticContact CZ-CD2 3.88Å; Y860-H865 AromaticContact CZ-NE2 3.41Å; Y860-H865 PolarHBondContact OH-NE2 3.48Å
861Y78.7Confident77.7Confident9 Ų959.1 Ų59.14%0.03534%0.338CS..Hα-helixtrans-72.4-36.8179.3-71.4-63.1000113.1Y824 F857 E859 H865 N866 L867 I869 A900 M902Y824-Y861 HydrophobicContact CD2-CE1 4.36Å; Y824-Y861 HydrophobicContact CE2-CD1 4.41Å; Y824-Y861 AromaticContact CE2-CE1 3.68Å; Y824-Y861 HydrophobicContact CE2-CE1 3.68Å; Y824-Y861 AromaticContact CZ-CE1 3.76Å; Y824-Y861 PolarHBondContact OH-OH 3.34Å; F857-Y861 HydrophobicContact CB-CE2 4.45Å; F857-Y861 HydrophobicContact CD1-CE2 4.43Å; F857-Y861 WeakPolarHBondContact O-CD2 3.11Å; F857-Y861 PolarHBondContact O-N 2.94Å; E859-Y861 PolarHBondContact O-N 2.91Å; Y861-H865 AromaticContact CD1-CD2 3.72Å; Y861-H865 CarbonylContact O-C 3.53Å; Y861-H865 PolarHBondContact O-N 3.48Å; Y861-N866 PolarHBondContact O-N 3.3Å; Y861-L867 PolarHBondContact O-N 2.93Å; Y861-I869 HydrophobicContact CD2-CD1 4.02Å; Y861-I869 HydrophobicContact CG-CD1 4.33Å; Y861-A900 PolarHBondContact OH-O 3.16Å; Y861-M902 HydrophobicContact CD2-CB 4.42Å; Y861-M902 HydrophobicContact CD2-CG 4.45Å; Y861-M902 HydrophobicContact CD2-SD 4.03Å; Y861-M902 HydrophobicContact CE1-CB 4.29Å; Y861-M902 HydrophobicContact CE2-CB 3.76Å; Y861-M902 HydrophobicContact CE2-CG 4.07Å; Y861-M902 HydrophobicContact CE2-SD 4.25Å; Y861-M902 PolarHBondContact OH-N 2.81Å
862E81.8Confident78.5Confident81 Ų8158.2 Ų58.238%0.37934%0.337SS..Hα-helixtrans-69.2-39.6176.7-172.3156.5-125.100111.9A858 E859 N866 K868A858-E862 WeakPolarHBondContact O-CB 3.4Å; A858-E862 PolarHBondContact O-N 2.89Å; E859-E862 PolarHBondContact O-N 3.23Å; E862-N866 WeakPolarHBondContact O-CA 3.28Å; E862-N866 PolarHBondContact O-N 2.9Å; E862-K868 VanDerWaalsContact CD-NZ 3.35Å; E862-K868 VanDerWaalsContact OE1-CB 3.28Å; E862-K868 WeakPolarHBondContact OE1-CB 3.14Å; E862-K868 WeakPolarHBondContact OE1-CD 3.41Å; E862-K868 WeakPolarHBondContact OE1-CG 3.35Å; E862-K868 IonicContact OE1-NZ 2.61Å; E862-K868 PolarHBondContact OE1-NZ 2.96Å; E862-K868 IonicContact OE2-NZ 3.25Å; E862-K868 PolarHBondContact OE2-NZ 3.5Å
863K80.6Confident79.4Confident138 Ų13863 Ų6360%0.634%0.34SS*.Hα-helixtrans-82.8-47.3179.2-70.7-173.8174.5174.50114.4F854 E859F854-K863 HydrophobicContact CD1-CB 4.43Å; F854-K863 HydrophobicContact CD1-CD 4.16Å; F854-K863 HydrophobicContact CE1-CB 3.83Å; F854-K863 HydrophobicContact CE1-CD 3.99Å; E859-K863 HydrophobicContact CG-CD 3.83Å; E859-K863 HydrophobicContact CG-CG 4.21Å; E859-K863 VanDerWaalsContact O-CB 3.31Å; E859-K863 WeakPolarHBondContact O-CB 3.47Å; E859-K863 PolarHBondContact O-N 2.76Å; E859-K863 WeakPolarHBondContact OE1-CE 3.41Å; E859-K863 IonicContact OE1-NZ 3.25Å; E859-K863 PolarHBondContact OE1-NZ 3.3Å
864S76.2Confident79.7Confident50 Ų5059.8 Ų59.835%0.3530%0.303SS..Hα-helixtrans-82.3-36.2-171.7-50.80000113F854 Y860F854-S864 VanDerWaalsContact CZ-OG 3.26Å; F854-S864 WeakPolarHBondContact CZ-OG 3.43Å; Y860-S864 WeakPolarHBondContact O-CA 3.45Å; Y860-S864 WeakPolarHBondContact O-CB 3.49Å; Y860-S864 PolarHBondContact O-N 3.04Å; Y860-S864 PolarHBondContact O-OG 3.47Å; Y860-S864 VanDerWaalsContact O-OG 3.04Å
865H72.5Confident79.6Confident42 Ų4258.6 Ų58.619%0.19430%0.3CS..SBendtrans-113.7-2-173.2-62.4-76.2000113.7Y860 Y861 L867Y860-H865 AromaticContact CE1-CD2 3.6Å; Y860-H865 AromaticContact CE1-NE2 3.5Å; Y860-H865 AromaticContact CZ-CD2 3.88Å; Y860-H865 AromaticContact CZ-NE2 3.41Å; Y860-H865 PolarHBondContact OH-NE2 3.48Å; Y861-H865 AromaticContact CD1-CD2 3.72Å; Y861-H865 CarbonylContact O-C 3.53Å; Y861-H865 PolarHBondContact O-N 3.48Å; H865-L867 HydrophobicContact CB-CD1 4.11Å; H865-L867 HydrophobicContact CB-CG 4.44Å
866N78Confident79.6Confident134 Ų13455 Ų5572%0.71727%0.27SS*.  trans5452.7-175.2-167.412.6000112.4Y861 E862Y861-N866 PolarHBondContact O-N 3.3Å; E862-N866 WeakPolarHBondContact O-CA 3.28Å; E862-N866 PolarHBondContact O-N 2.9Å
867L75.5Confident79.2Confident7 Ų754.1 Ų54.14%0.03726%0.264CS..  trans-131.894.5-175.7-77.2174000112.9R799 W823 Y824 Y861 H865 I869R799-L867 VanDerWaalsContact NH2-CD2 3.27Å; W823-L867 HydrophobicContact CH2-CD1 3.99Å; W823-L867 HydrophobicContact CH2-CD2 3.58Å; W823-L867 HydrophobicContact CH2-CG 4.47Å; W823-L867 HydrophobicContact CZ3-CD1 4.11Å; W823-L867 HydrophobicContact CZ3-CD2 3.79Å; Y824-L867 HydrophobicContact CG-CD1 4.03Å; Y861-L867 PolarHBondContact O-N 2.93Å; H865-L867 HydrophobicContact CB-CD1 4.11Å; H865-L867 HydrophobicContact CB-CG 4.44Å; L867-I869 PolarHBondContact O-N 3.21Å
868K77.8Confident78.9Confident120 Ų12055 Ų5552%0.52227%0.27SS..  trans-67.1128.6171.3-168.7167.1-150.376.30111.4R805 E862R805-K868 PolarHBondContact NH1-O 3.42Å; R805-K868 PolarHBondContact NH2-O 3.34Å; E862-K868 VanDerWaalsContact CD-NZ 3.35Å; E862-K868 VanDerWaalsContact OE1-CB 3.28Å; E862-K868 WeakPolarHBondContact OE1-CB 3.14Å; E862-K868 WeakPolarHBondContact OE1-CD 3.41Å; E862-K868 WeakPolarHBondContact OE1-CG 3.35Å; E862-K868 IonicContact OE1-NZ 2.61Å; E862-K868 PolarHBondContact OE1-NZ 2.96Å; E862-K868 IonicContact OE2-NZ 3.25Å; E862-K868 PolarHBondContact OE2-NZ 3.5Å
869I75Confident78.2Confident22 Ų2254.3 Ų54.311%0.11327%0.265CS..  trans-95.7133.7-174.7-72.2151.8000110.5P845 A858 Y861 L867 N871 L872 M902P845-I869 HydrophobicContact CB-CD1 4.45Å; P845-I869 HydrophobicContact CB-CG2 4.26Å; P845-I869 HydrophobicContact CG-CG2 4.25Å; A858-I869 HydrophobicContact CB-CD1 4.11Å; Y861-I869 HydrophobicContact CD2-CD1 4.02Å; Y861-I869 HydrophobicContact CG-CD1 4.33Å; L867-I869 PolarHBondContact O-N 3.21Å; I869-N871 WeakPolarHBondContact CG2-O 3.34Å; I869-L872 HydrophobicContact CB-CD2 4.21Å; I869-L872 HydrophobicContact CG2-CD2 3.72Å; I869-L872 HydrophobicContact CG2-CG 4.41Å; I869-M902 HydrophobicContact CB-CE 4.26Å; I869-M902 HydrophobicContact CD1-CE 3.38Å; I869-M902 HydrophobicContact CD1-SD 3.61Å; I869-M902 HydrophobicContact CG1-CE 3.55Å; I869-M902 HydrophobicContact CG1-SD 3.68Å; I869-M902 HydrophobicContact CG2-CE 3.7Å
870F78.6Confident77.3Confident73 Ų7353.8 Ų53.832%0.3226%0.264SS..SBendtrans-96.1-38.7-177.8-59.5-67.3000113.4D802 R805 K806D802-F870 HydrophobicContact CB-CE2 4.09Å; D802-F870 HydrophobicContact CB-CZ 4.1Å; R805-F870 HydrophobicContact CB-CD2 3.64Å; R805-F870 HydrophobicContact CB-CE2 3.78Å; K806-F870 HydrophobicContact CD-CD1 4.42Å; K806-F870 HydrophobicContact CG-CB 4.02Å; K806-F870 HydrophobicContact CG-CD1 3.65Å; K806-F870 HydrophobicContact CG-CD2 3.89Å; K806-F870 HydrophobicContact CG-CE1 4.04Å; K806-F870 HydrophobicContact CG-CE2 4.25Å; K806-F870 HydrophobicContact CG-CG 3.57Å; K806-F870 HydrophobicContact CG-CZ 4.32Å
871N79.3Confident76.5Confident49 Ų4953.4 Ų53.426%0.26226%0.262SS..  trans-100108.5173-172.8-21.2000109.1I869 E873 Q874I869-N871 WeakPolarHBondContact CG2-O 3.34Å; N871-E873 PolarHBondContact OD1-N 2.92Å; N871-E873 VanDerWaalsContact OD1-N 3.08Å; N871-Q874 PolarHBondContact O-NE2 2.94Å; N871-Q874 PolarHBondContact OD1-N 3.14Å
872L81.5Confident75.7Confident68 Ų6854 Ų5436%0.35627%0.266SS..SBendtrans-95.7-5.5-179-66.5170.3000113.3P845 L846 A858 I869P845-L872 HydrophobicContact CB-CD2 4.03Å; P845-L872 WeakPolarHBondContact CD-O 3.36Å; L846-L872 HydrophobicContact CD1-CB 4.22Å; L846-L872 HydrophobicContact CD1-CD1 4.47Å; L846-L872 HydrophobicContact CD2-CD1 4.37Å; L846-L872 HydrophobicContact CD2-CD2 4.1Å; L846-L872 HydrophobicContact CG-CB 4.27Å; L846-L872 HydrophobicContact CG-CD2 4.32Å; A858-L872 HydrophobicContact CB-CD2 4.12Å; I869-L872 HydrophobicContact CB-CD2 4.21Å; I869-L872 HydrophobicContact CG2-CD2 3.72Å; I869-L872 HydrophobicContact CG2-CG 4.41Å
873E80.5Confident74.7Confident171 Ų17158 Ų5880%0.79928%0.278SS*.SBendtrans-101.5-11179.5-64-176.3170.400112.8N871N871-E873 PolarHBondContact OD1-N 2.92Å; N871-E873 VanDerWaalsContact OD1-N 3.08Å
874Q80Confident73.5Confident15 Ų1553 Ų537%0.0726%0.26CS..SBendtrans-57.9139.6176.469.5-173.3-4900111.5P845 N871P845-Q874 WeakPolarHBondContact CD-O 3.12Å; P845-Q874 HydrophobicContact CG-CG 4.05Å; N871-Q874 PolarHBondContact O-NE2 2.94Å; N871-Q874 PolarHBondContact OD1-N 3.14Å
875P80.1Confident72.7Confident22 Ų2254.9 Ų54.914%0.14326%0.259CS..PPolyproline II helixtrans-70.4147.6176.331-35.6000110.8Y810 V839 M843 I903Y810-P875 HydrophobicContact CD1-CG 3.76Å; Y810-P875 HydrophobicContact CE1-CG 3.61Å; Y810-P875 HydrophobicContact CE2-CG 4.49Å; Y810-P875 HydrophobicContact CG-CG 4.27Å; V839-P875 HydrophobicContact CG1-CB 3.82Å; V839-P875 HydrophobicContact CG1-CG 3.82Å; M843-P875 WeakPolarHBondContact O-CA 3.38Å; P875-I903 WeakPolarHBondContact O-CD1 3.46Å
876L80.2Confident72.1Confident2 Ų255.7 Ų55.71%0.0126%0.261CS..EExtended strand (participates in β ladder)trans-77.6147.4172.5-63.1-179.7000111.2R840 M843 P845 F857 A900R840-L876 PolarHBondContact N-O 2.99Å; M843-L876 HydrophobicContact CB-CB 4.36Å; M843-L876 HydrophobicContact CB-CD1 4.03Å; M843-L876 HydrophobicContact CB-CG 4.35Å; M843-L876 PolarHBondContact O-N 2.84Å; P845-L876 HydrophobicContact CG-CD2 4.3Å; F857-L876 HydrophobicContact CB-CD1 4.33Å; F857-L876 HydrophobicContact CD1-CD1 4.25Å; F857-L876 HydrophobicContact CD2-CD1 3.51Å; F857-L876 HydrophobicContact CE2-CD1 3.81Å; F857-L876 HydrophobicContact CG-CD1 3.76Å; F857-L876 HydrophobicContact CZ-CD1 4.31Å; L876-A900 HydrophobicContact CB-CB 4.43Å; L876-A900 HydrophobicContact CD1-CB 4.2Å
877L76.1Confident71.4Confident1 Ų150.9 Ų50.91%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-92.1131.5173.2-60.3-176.8000109.4Y810 Y815 I820 V836 V839 A900 V901 I903Y810-L877 HydrophobicContact CE2-CD2 4.21Å; Y815-L877 HydrophobicContact CD1-CD1 4.05Å; Y815-L877 HydrophobicContact CG-CD1 4.3Å; I820-L877 HydrophobicContact CD1-CD1 3.94Å; V836-L877 HydrophobicContact CG1-CB 4.16Å; V836-L877 HydrophobicContact CG1-CD1 4.1Å; V836-L877 HydrophobicContact CG1-CD2 3.97Å; V836-L877 HydrophobicContact CG1-CG 4.3Å; V836-L877 HydrophobicContact CG2-CD1 3.84Å; V839-L877 HydrophobicContact CG1-CD2 4.43Å; V839-L877 HydrophobicContact CG2-CD2 3.93Å; L877-A900 CarbonylContact O-C 3.55Å; L877-A900 WeakPolarHBondContact O-CA 3.41Å; L877-V901 PolarHBondContact N-O 3.15Å; L877-V901 PolarHBondContact O-N 3.28Å; L877-I903 HydrophobicContact CD1-CG1 3.64Å; L877-I903 HydrophobicContact CD2-CG1 4.4Å; L877-I903 HydrophobicContact CG-CD1 4.34Å; L877-I903 HydrophobicContact CG-CG1 3.69Å
878C74.8Confident71Confident22 Ų2250.9 Ų50.915%0.14924%0.238CC..EExtended strand (participates in β ladder)trans-91.5123167.6-172.70000108.1V837 A838 R840V837-C878 PolarHBondContact N-O 3.48Å; A838-C878 HydrophobicContact CB-CB 4.24Å; A838-C878 PolarHBondContact N-O 3.38Å; A838-C878 VanDerWaalsContact N-O 3.15Å; A838-C878 PolarHBondContact O-N 3.38Å; R840-C878 HydrophobicContact CG-CB 4.12Å
879G68.1Low70.5Confident1 Ų145.7 Ų45.71%0.0122%0.215CC..EExtended strand (participates in β ladder)trans-135147.7-177.100000113.6R835 E899R835-G879 CarbonylContact O-C 3.6Å; R835-G879 WeakPolarHBondContact O-CA 3.13Å; G879-E899 PolarHBondContact N-O 2.8Å; G879-E899 VanDerWaalsContact N-O 3.12Å; G879-E899 PolarHBondContact O-N 3.28Å
880D65.4Low70Confident42 Ų4248.2 Ų48.223%0.22523%0.226CC..EExtended strand (participates in β ladder)trans-92.4134.7169.4-65.4-18000107.9R835 V837 V882 R898R835-D880 PolarHBondContact N-O 3.32Å; R835-D880 PolarHBondContact O-N 2.96Å; V837-D880 HydrophobicContact CG2-CB 4.18Å; V837-D880 WeakPolarHBondContact CG2-OD2 3.39Å; D880-V882 PolarHBondContact O-N 3.03Å; D880-R898 WeakPolarHBondContact OD1-CG 3.48Å; D880-R898 IonicContact OD1-CZ 3.92Å; D880-R898 IonicContact OD1-NE 3.43Å; D880-R898 PolarHBondContact OD1-NE 2.8Å; D880-R898 IonicContact OD2-NH2 3.96Å
881Y65.8Low69Low53 Ų5350.8 Ų50.821%0.20823%0.234CC..EExtended strand (participates in β ladder)trans-71.5124172.9-76.7-67.1000111N832 V834 E899N832-Y881 HydrophobicContact CB-CD1 3.65Å; N832-Y881 HydrophobicContact CB-CE1 3.85Å; V834-Y881 HydrophobicContact CG2-CD1 3.55Å; V834-Y881 HydrophobicContact CG2-CE1 3.54Å; Y881-E899 HydrophobicContact CE2-CB 4.26Å; Y881-E899 HydrophobicContact CE2-CG 4.26Å; Y881-E899 VanDerWaalsContact CE2-OE2 3.25Å; Y881-E899 WeakPolarHBondContact CE2-OE2 3.28Å; Y881-E899 PolarHBondContact OH-OE2 3.44Å
882V61.7Low67.8Low20 Ų2053.2 Ų53.212%0.12124%0.239CC..EExtended strand (participates in β ladder)trans-102.291.5-174.3-178.80000109F833 R835 D880 M916F833-V882 HydrophobicContact CB-CB 4.08Å; F833-V882 PolarHBondContact O-N 2.94Å; R835-V882 HydrophobicContact CB-CG2 3.44Å; R835-V882 VanDerWaalsContact CB-CG2 3.44Å; D880-V882 PolarHBondContact O-N 3.03Å; V882-M916 HydrophobicContact CG1-CE 3.49Å; V882-M916 VanDerWaalsContact CG1-CE 3.49Å; V882-M916 HydrophobicContact CG1-SD 3.17Å; V882-M916 WeakPolarHBondContact CG1-SD 3.42Å
883R60.9Low66.3Low166 Ų16656.2 Ų56.263%0.62626%0.26SS*.  trans-85140.2163.8-70.7-177.7176.6161.7-0.6109.5R885R883-R885 PolarHBondContact O-N 2.74Å
884P56.6Low64.3Low33 Ų3354.9 Ų54.921%0.21425%0.252CS..  trans-55.6108.6168.6-25.535.4000110.9Y886P884-Y886 HydrophobicContact CB-CD1 4.41Å; P884-Y886 HydrophobicContact CB-CE1 3.83Å; P884-Y886 HydrophobicContact CB-CE2 4.48Å
885R57.9Low62.5Low90 Ų9056.9 Ų56.934%0.3428%0.276SS..  trans-99.193.7176.7-162.8-173.6-171.5-143.7-0.6108.2R883 S887 M888 H890R883-R885 PolarHBondContact O-N 2.74Å; R885-S887 PolarHBondContact O-N 2.66Å; R885-M888 HydrophobicContact CB-SD 3.9Å; R885-M888 HydrophobicContact CG-SD 4.17Å; R885-M888 VanDerWaalsContact O-SD 3.39Å; R885-H890 VanDerWaalsContact CZ-O 3.27Å; R885-H890 PolarHBondContact NH1-O 3.09Å; R885-H890 PolarHBondContact NH2-O 3.33Å
886Y60.5Low60.5Low59 Ų5961.6 Ų61.623%0.23130%0.3CS..SBendtrans-70-14.9-169.1-55.1-70.1000115.3L748 F750 P884 F1210 T1213L748-Y886 PolarHBondContact O-OH 2.7Å; L748-Y886 VanDerWaalsContact O-OH 3.06Å; F750-Y886 HydrophobicContact CD2-CE1 4.31Å; F750-Y886 HydrophobicContact CE2-CD1 4.14Å; F750-Y886 AromaticContact CE2-CE1 3.91Å; F750-Y886 HydrophobicContact CE2-CE1 3.91Å; P884-Y886 HydrophobicContact CB-CD1 4.41Å; P884-Y886 HydrophobicContact CB-CE1 3.83Å; P884-Y886 HydrophobicContact CB-CE2 4.48Å; Y886-F1210 WeakPolarHBondContact O-CE1 3.31Å; Y886-T1213 HydrophobicContact CE2-CG2 3.99Å
887S63.7Low58.9Low33 Ų3364.7 Ų64.723%0.23132%0.322CS..  trans-118.3126.5169.5174.40000109.4R885 I889 E920R885-S887 PolarHBondContact O-N 2.66Å; S887-I889 WeakPolarHBondContact OG-CD1 3.45Å; S887-I889 VanDerWaalsContact OG-CG1 3.31Å; S887-I889 WeakPolarHBondContact OG-CG1 3.45Å; S887-E920 WeakPolarHBondContact CA-OE2 3.4Å
888M67.1Low57.8Low7 Ų770.6 Ų70.63%0.03434%0.344CS..  trans-114.321.6-176.4-60.6-64.8-101.200112I708 F709 R885 F917 E920I708-M888 HydrophobicContact CB-CB 4.24Å; F709-M888 PolarHBondContact N-O 3.37Å; R885-M888 HydrophobicContact CB-SD 3.9Å; R885-M888 HydrophobicContact CG-SD 4.17Å; R885-M888 VanDerWaalsContact O-SD 3.39Å; M888-F917 HydrophobicContact CE-CD1 3.6Å; M888-F917 HydrophobicContact CE-CE1 3.46Å; M888-F917 VanDerWaalsContact CE-CE1 3.46Å; M888-E920 HydrophobicContact CB-CG 4.29Å; M888-E920 PolarHBondContact N-OE2 2.88Å
889I65.8Low57Low10 Ų1072.2 Ų72.25%0.05135%0.35CS..SBendtrans-79.6-36.4-173.3-53.1-178.6000111.7F709 S887 E920 R924 D1144 L1145F709-I889 WeakPolarHBondContact CD2-O 3.45Å; F709-I889 WeakPolarHBondContact CE2-O 3.5Å; S887-I889 WeakPolarHBondContact OG-CD1 3.45Å; S887-I889 VanDerWaalsContact OG-CG1 3.31Å; S887-I889 WeakPolarHBondContact OG-CG1 3.45Å; I889-E920 WeakPolarHBondContact CG1-OE1 3.49Å; I889-E920 WeakPolarHBondContact CG1-OE2 3.34Å; I889-R924 VanDerWaalsContact CG1-NH2 3.28Å; I889-D1144 WeakPolarHBondContact CG2-OD1 3.35Å; I889-L1145 HydrophobicContact CG2-CD1 4.11Å; I889-L1145 HydrophobicContact CG2-CG 3.7Å
890H65Low56.4Low75 Ų7573 Ų7335%0.34736%0.356SS..SBendtrans-113.5123.7-168.9-65.9-65.8000111.9R885 N1143R885-H890 VanDerWaalsContact CZ-O 3.27Å; R885-H890 PolarHBondContact NH1-O 3.09Å; R885-H890 PolarHBondContact NH2-O 3.33Å; H890-N1143 PolarHBondContact NE2-O 3.21Å
891R59.1Low56.2Low127 Ų12771.1 Ų71.148%0.47935%0.346SS..PPolyproline II helixtrans-55136.7-178.3-164.2178.9-166.8-146.5-2.2111.9F709 E712 V893F709-R891 HydrophobicContact CD1-CB 4.03Å; F709-R891 HydrophobicContact CD1-CG 4.03Å; F709-R891 HydrophobicContact CE1-CB 4.31Å; F709-R891 HydrophobicContact CE1-CG 4.39Å; F709-R891 HydrophobicContact CG-CB 4.29Å; E712-R891 VanDerWaalsContact O-CZ 3.26Å; E712-R891 PolarHBondContact O-NE 3.05Å; E712-R891 PolarHBondContact O-NH2 3.28Å; R891-V893 PolarHBondContact O-N 3.38Å
892R52.9Low55.9Low100 Ų10069.6 Ų69.638%0.37734%0.341SS..PPolyproline II helixtrans-79.6121178.4-163.3176.6-175.5-178.21.5109.9S711 D896S711-R892 PolarHBondContact O-N 3.5Å; S711-R892 VanDerWaalsContact O-N 3.09Å; R892-D896 IonicContact CZ-OD2 2.83Å; R892-D896 IonicContact NH2-OD2 2.72Å; R892-D896 PolarHBondContact NH2-OD2 2.92Å
893V49.5Very low55.6Low131 Ų13169.1 Ų69.179%0.79434%0.338SS*.PPolyproline II helixtrans-74.5141.7167.6-178.20000108.5R891 G895R891-V893 PolarHBondContact O-N 3.38Å; V893-G895 PolarHBondContact O-N 3.48Å; V893-G895 VanDerWaalsContact O-N 3.1Å
894K40.1Very low55.3Low144 Ų14463.6 Ų63.663%0.62632%0.317SS*.SBendtrans-58.8114.4-178.4-92.3-176.3171.566.60111.2E712E712-K894 WeakPolarHBondContact OE1-CE 3.35Å; E712-K894 WeakPolarHBondContact OE1-CG 3.37Å; E712-K894 IonicContact OE1-NZ 3.19Å; E712-K894 PolarHBondContact OE1-NZ 3.2Å; E712-K894 IonicContact OE2-NZ 2.75Å; E712-K894 PolarHBondContact OE2-NZ 3.1Å
895G40.4Very low55.2Low56 Ų5663 Ų6358%0.57731%0.314SS*.  trans178.174.8-177.200000112V893V893-G895 PolarHBondContact O-N 3.48Å; V893-G895 VanDerWaalsContact O-N 3.1Å
896D39.6Very low55.1Low122 Ų12263.2 Ų63.265%0.65232%0.321SS*.SBendtrans-176.8154.5153.9-90.4-37.4000107.7R892R892-D896 IonicContact CZ-OD2 2.83Å; R892-D896 IonicContact NH2-OD2 2.72Å; R892-D896 PolarHBondContact NH2-OD2 2.92Å
897S46.6Very low54.9Low66 Ų6661.4 Ų61.446%0.46232%0.317SS..  trans-72135-170.941.50000114.1E899S897-E899 PolarHBondContact OG-OE1 3.11Å
898R52.5Low54.5Low126 Ų12660.4 Ų60.448%0.47531%0.309SS..  trans-79.3121.8156.8-73.7-167.2159.6161.20.6108.6D880D880-R898 WeakPolarHBondContact OD1-CG 3.48Å; D880-R898 IonicContact OD1-CZ 3.92Å; D880-R898 IonicContact OD1-NE 3.43Å; D880-R898 PolarHBondContact OD1-NE 2.8Å; D880-R898 IonicContact OD2-NH2 3.96Å
899E57.6Low53.8Low55 Ų5560.7 Ų60.726%0.25731%0.312SS..EExtended strand (participates in β ladder)trans-114.5150.7-178.9-76.9179.5-162.500112.2G879 Y881 S897 V901G879-E899 PolarHBondContact N-O 2.8Å; G879-E899 VanDerWaalsContact N-O 3.12Å; G879-E899 PolarHBondContact O-N 3.28Å; Y881-E899 HydrophobicContact CE2-CB 4.26Å; Y881-E899 HydrophobicContact CE2-CG 4.26Å; Y881-E899 VanDerWaalsContact CE2-OE2 3.25Å; Y881-E899 WeakPolarHBondContact CE2-OE2 3.28Å; Y881-E899 PolarHBondContact OH-OE2 3.44Å; S897-E899 PolarHBondContact OG-OE1 3.11Å; E899-V901 HydrophobicContact CB-CG2 4.33Å
900A56.3Low53Low18 Ų1863.5 Ų63.515%0.14933%0.325CS..EExtended strand (participates in β ladder)trans-85.7114.5168.800000108.7F857 Y861 L876 L877F857-A900 HydrophobicContact CE1-CB 3.78Å; F857-A900 HydrophobicContact CZ-CB 3.77Å; Y861-A900 PolarHBondContact OH-O 3.16Å; L876-A900 HydrophobicContact CB-CB 4.43Å; L876-A900 HydrophobicContact CD1-CB 4.2Å; L877-A900 CarbonylContact O-C 3.55Å; L877-A900 WeakPolarHBondContact O-CA 3.41Å
901V61Low52.3Low2 Ų260.4 Ų60.41%0.01231%0.312CS..EExtended strand (participates in β ladder)trans-112.5140.7-168.9-179.90000109.9I820 P822 Y824 V834 L877 E899I820-V901 HydrophobicContact CD1-CG1 4.16Å; P822-V901 HydrophobicContact CG-CG1 4.36Å; Y824-V901 WeakPolarHBondContact OH-CG1 3.49Å; V834-V901 HydrophobicContact CG1-CB 4.37Å; V834-V901 HydrophobicContact CG1-CG1 4.36Å; V834-V901 HydrophobicContact CG1-CG2 4.06Å; V834-V901 HydrophobicContact CG2-CG1 4.33Å; V834-V901 HydrophobicContact CG2-CG2 4.35Å; L877-V901 PolarHBondContact N-O 3.15Å; L877-V901 PolarHBondContact O-N 3.28Å; E899-V901 HydrophobicContact CB-CG2 4.33Å
902M60Low52.1Low21 Ų2155 Ų5510%0.10329%0.292CS..  trans-86.6139-175.5-140.4-167.6-162.500113.9Y824 P845 Y861 I869 R904Y824-M902 HydrophobicContact CE1-CB 4.2Å; Y824-M902 PolarHBondContact OH-N 3.2Å; P845-M902 HydrophobicContact CB-CE 4.02Å; P845-M902 HydrophobicContact CG-CE 3.4Å; P845-M902 VanDerWaalsContact CG-CE 3.4Å; Y861-M902 HydrophobicContact CD2-CB 4.42Å; Y861-M902 HydrophobicContact CD2-CG 4.45Å; Y861-M902 HydrophobicContact CD2-SD 4.03Å; Y861-M902 HydrophobicContact CE1-CB 4.29Å; Y861-M902 HydrophobicContact CE2-CB 3.76Å; Y861-M902 HydrophobicContact CE2-CG 4.07Å; Y861-M902 HydrophobicContact CE2-SD 4.25Å; Y861-M902 PolarHBondContact OH-N 2.81Å; I869-M902 HydrophobicContact CB-CE 4.26Å; I869-M902 HydrophobicContact CD1-CE 3.38Å; I869-M902 HydrophobicContact CD1-SD 3.61Å; I869-M902 HydrophobicContact CG1-CE 3.55Å; I869-M902 HydrophobicContact CG1-SD 3.68Å; I869-M902 HydrophobicContact CG2-CE 3.7Å; M902-R904 PolarHBondContact O-N 3.12Å
903I55.5Low52.2Low10 Ų1051.8 Ų51.85%0.05129%0.287CS..  trans-69.9125.8176.7-49.8151.5000110.2F808 Y810 Y815 P875 L877F808-I903 HydrophobicContact CE1-CB 4.18Å; F808-I903 HydrophobicContact CE1-CD1 4.38Å; F808-I903 HydrophobicContact CE1-CG2 3.69Å; F808-I903 HydrophobicContact CE2-CG2 4.17Å; F808-I903 HydrophobicContact CZ-CB 4.32Å; F808-I903 HydrophobicContact CZ-CG2 3.34Å; Y810-I903 HydrophobicContact CD2-CD1 3.56Å; Y810-I903 HydrophobicContact CE2-CD1 3.99Å; Y810-I903 HydrophobicContact CG-CD1 4.39Å; Y815-I903 HydrophobicContact CE1-CG2 3.9Å; Y815-I903 HydrophobicContact CE2-CG2 3.84Å; Y815-I903 VanDerWaalsContact CZ-CG2 3.46Å; Y815-I903 WeakPolarHBondContact OH-CG2 3.46Å; P875-I903 WeakPolarHBondContact O-CD1 3.46Å; L877-I903 HydrophobicContact CD1-CG1 3.64Å; L877-I903 HydrophobicContact CD2-CG1 4.4Å; L877-I903 HydrophobicContact CG-CD1 4.34Å; L877-I903 HydrophobicContact CG-CG1 3.69Å
904R53.8Low52.5Low50 Ų5046.2 Ų46.219%0.18926%0.256CS..  178.857.7126.6-160.3179171.8-117.3-37113P800 T801 E804 R805 F808 W823 M902P800-R904 VanDerWaalsContact CB-NH1 3.33Å; T801-R904 PolarHBondContact O-NH1 2.85Å; E804-R904 VanDerWaalsContact CB-CZ 3.47Å; E804-R904 VanDerWaalsContact CB-NH2 3.3Å; E804-R904 IonicContact OE2-CZ 3.91Å; E804-R904 IonicContact OE2-NH1 3.68Å; E804-R904 PolarHBondContact OE2-NH1 2.99Å; E804-R904 IonicContact OE2-NH2 2.98Å; E804-R904 PolarHBondContact OE2-NH2 3.43Å; R805-R904 VanDerWaalsContact CG-NH1 3.31Å; F808-R904 HydrophobicContact CD2-CG 4.22Å; W823-R904 HydrophobicContact CZ2-CB 4.45Å; W823-R904 PolarHBondContact NE1-O 2.98Å; W823-R904 VanDerWaalsContact NE1-O 3.11Å; M902-R904 PolarHBondContact O-N 3.12Å
905S54.4Low53.4Low22 Ų2239.4 Ų39.415%0.15423%0.227CC..SBendtrans-117.7145.7158.925.90000108.7Y815 L821Y815-S905 WeakPolarHBondContact CE1-O 3.29Å; Y815-S905 PolarHBondContact OH-O 2.6Å; L821-S905 PolarHBondContact N-OG 3.49Å; L821-S905 VanDerWaalsContact N-OG 3.13Å; L821-S905 VanDerWaalsContact O-CB 3.3Å; L821-S905 WeakPolarHBondContact O-CB 3.3Å; L821-S905 PolarHBondContact O-OG 3.23Å
906D55.8Low54.5Low93 Ų9338.5 Ų38.550%0.49721%0.208SC..PPolyproline II helixtrans-63.8124.9174.1-86.5-47.9000108.8I908D906-I908 PolarHBondContact O-N 2.85Å
907P55.8Low55.7Low22 Ų2234.2 Ų34.214%0.14318%0.184CC..PPolyproline II helixtrans-64.7129.7-173.817.9-25.3000111.6R814 Y815 I820R814-P907 HydrophobicContact CB-CG 3.85Å; R814-P907 VanDerWaalsContact O-CB 3.32Å; R814-P907 WeakPolarHBondContact O-CB 2.99Å; R814-P907 WeakPolarHBondContact O-CG 3.21Å; Y815-P907 HydrophobicContact CD1-CB 4.32Å; Y815-P907 HydrophobicContact CD1-CG 4.23Å; Y815-P907 HydrophobicContact CE1-CB 4.42Å; Y815-P907 HydrophobicContact CE1-CG 4.11Å; I820-P907 HydrophobicContact CG2-CB 4.42Å
908I56.1Low56.8Low12 Ų1231.1 Ų31.16%0.06216%0.162CC..BIsolated β-bridgetrans-75.7140.7174.7-43.1172.5000108.2I819 D906 Y912I819-I908 HydrophobicContact CG2-CD1 4.47Å; I819-I908 WeakPolarHBondContact O-CG1 3.22Å; I819-I908 PolarHBondContact O-N 3.49Å; D906-I908 PolarHBondContact O-N 2.85Å; I908-Y912 HydrophobicContact CB-CD2 4.13Å; I908-Y912 HydrophobicContact CB-CG 4.49Å; I908-Y912 HydrophobicContact CD1-CD2 4.19Å; I908-Y912 HydrophobicContact CD1-CE2 3.85Å; I908-Y912 HydrophobicContact CG2-CD2 3.33Å; I908-Y912 HydrophobicContact CG2-CE2 4.01Å; I908-Y912 HydrophobicContact CG2-CG 4Å
909A52.2Low57.7Low12 Ų1225.2 Ų25.210%0.09914%0.14CC..PPolyproline II helixtrans-60.3155.4-168.500000113.4L785 A911 Y912L785-A909 HydrophobicContact CD1-CB 3.63Å; A909-A911 PolarHBondContact O-N 3.22Å; A909-A911 VanDerWaalsContact O-N 3.16Å; A909-Y912 WeakPolarHBondContact O-CB 3.44Å; A909-Y912 PolarHBondContact O-N 3.2Å
910H49.7Very low58.4Low69 Ų6922.7 Ų22.732%0.31913%0.128SC..THydrogen-bonded Turntrans-58-34.4-172.1-159.9-79.7000112.7N817 Y912 A913N817-H910 VanDerWaalsContact CB-NE2 3.34Å; N817-H910 WeakPolarHBondContact CB-NE2 3.12Å; H910-Y912 PolarHBondContact O-N 3.13Å; H910-Y912 VanDerWaalsContact O-N 3.12Å; H910-A913 PolarHBondContact O-N 3.45Å
911A49.7Very low59Low10 Ų1022 Ų228%0.08312%0.122CC..THydrogen-bonded Turntrans-48.9-33.7169.700000113.8E690 F692 L785 A909 A913 G914E690-A911 HydrophobicContact CB-CB 4.43Å; F692-A911 HydrophobicContact CE2-CB 4.21Å; F692-A911 WeakPolarHBondContact CE2-O 3.45Å; F692-A911 HydrophobicContact CZ-CB 4.02Å; F692-A911 WeakPolarHBondContact CZ-O 3.46Å; L785-A911 HydrophobicContact CD2-CB 3.52Å; A909-A911 PolarHBondContact O-N 3.22Å; A909-A911 VanDerWaalsContact O-N 3.16Å; A911-A913 PolarHBondContact O-N 3.46Å; A911-G914 WeakPolarHBondContact O-CA 3.11Å; A911-G914 PolarHBondContact O-N 3.32Å
912Y54.7Low59.5Low13 Ų1322.9 Ų22.95%0.05113%0.127CC..Hα-helixtrans-53.4-34.5-179.2-167.7-73.7000113.6L747 I819 F833 I908 A909 H910 G914 S915L747-Y912 HydrophobicContact CB-CE2 4.14Å; L747-Y912 HydrophobicContact CD1-CD2 3.89Å; L747-Y912 HydrophobicContact CD1-CE2 3.43Å; L747-Y912 VanDerWaalsContact CD1-CE2 3.43Å; L747-Y912 HydrophobicContact CD2-CE2 3.57Å; L747-Y912 HydrophobicContact CG-CE2 3.88Å; I819-Y912 HydrophobicContact CB-CD1 4.29Å; I819-Y912 HydrophobicContact CD1-CD1 3.48Å; I819-Y912 VanDerWaalsContact CD1-CD1 3.48Å; I819-Y912 HydrophobicContact CD1-CE1 4.2Å; I819-Y912 HydrophobicContact CD1-CG 4.29Å; I819-Y912 HydrophobicContact CG1-CD1 4.46Å; I819-Y912 HydrophobicContact CG2-CD1 4.11Å; I819-Y912 HydrophobicContact CG2-CE1 4.12Å; F833-Y912 AromaticContact CE1-CZ 3.96Å; F833-Y912 WeakPolarHBondContact CE1-OH 3.46Å; F833-Y912 WeakPolarHBondContact CZ-OH 3.34Å; I908-Y912 HydrophobicContact CB-CD2 4.13Å; I908-Y912 HydrophobicContact CB-CG 4.49Å; I908-Y912 HydrophobicContact CD1-CD2 4.19Å; I908-Y912 HydrophobicContact CD1-CE2 3.85Å; I908-Y912 HydrophobicContact CG2-CD2 3.33Å; I908-Y912 HydrophobicContact CG2-CE2 4.01Å; I908-Y912 HydrophobicContact CG2-CG 4Å; A909-Y912 WeakPolarHBondContact O-CB 3.44Å; A909-Y912 PolarHBondContact O-N 3.2Å; H910-Y912 PolarHBondContact O-N 3.13Å; H910-Y912 VanDerWaalsContact O-N 3.12Å; Y912-G914 PolarHBondContact O-N 2.9Å; Y912-S915 PolarHBondContact O-N 3.42Å; Y912-S915 PolarHBondContact O-OG 3.48Å
913A54Low60Low33 Ų3325.1 Ų25.127%0.27314%0.139SC..Hα-helixtrans-63.6-28.8176.800000112.7I819 H910 A911 F917I819-A913 HydrophobicContact CD1-CB 4.07Å; H910-A913 PolarHBondContact O-N 3.45Å; A911-A913 PolarHBondContact O-N 3.46Å; A913-F917 VanDerWaalsContact O-CE2 3.32Å; A913-F917 WeakPolarHBondContact O-CE2 3.4Å
914G56.9Low60.5Low14 Ų1425.3 Ų25.314%0.14414%0.139CC..Hα-helixtrans-77.5-28.3179.500000114.7A911 Y912 M916 F917A911-G914 WeakPolarHBondContact O-CA 3.11Å; A911-G914 PolarHBondContact O-N 3.32Å; Y912-G914 PolarHBondContact O-N 2.9Å; G914-M916 PolarHBondContact O-N 3.16Å; G914-F917 WeakPolarHBondContact O-CD2 3.33Å; G914-F917 PolarHBondContact O-N 3.35Å
915S59.5Low60.9Low2 Ų223.1 Ų23.11%0.01413%0.131CC..Hα-helixtrans-68.3-22.4-179.861.60000113F692 M743 Y912 F917 V918F692-S915 VanDerWaalsContact CE2-N 3.35Å; M743-S915 WeakPolarHBondContact SD-CB 3.44Å; Y912-S915 PolarHBondContact O-N 3.42Å; Y912-S915 PolarHBondContact O-OG 3.48Å; S915-F917 VanDerWaalsContact C-N 3.27Å; S915-F917 PolarHBondContact O-N 3.24Å; S915-V918 VanDerWaalsContact O-CB 3.26Å; S915-V918 WeakPolarHBondContact O-CB 3.34Å; S915-V918 VanDerWaalsContact O-CG2 3.25Å; S915-V918 WeakPolarHBondContact O-CG2 3.47Å; S915-V918 PolarHBondContact O-N 3.46Å
916M61.9Low61.6Low36 Ų3622.7 Ų22.718%0.17713%0.128CC..THydrogen-bonded Turntrans-64.1-27.8176.7-71.6-175.555.700114.4V882 G914 V918V882-M916 HydrophobicContact CG1-CE 3.49Å; V882-M916 VanDerWaalsContact CG1-CE 3.49Å; V882-M916 HydrophobicContact CG1-SD 3.17Å; V882-M916 WeakPolarHBondContact CG1-SD 3.42Å; G914-M916 PolarHBondContact O-N 3.16Å; M916-V918 VanDerWaalsContact C-N 3.31Å
917F65.1Low62.4Low33 Ų3318.7 Ų18.715%0.14511%0.108CC..THydrogen-bonded Turntrans-77.1-20.9179-51.2-64.6000112.2I668 I708 A710 M888 A913 G914 S915 P919 E920 L921I668-F917 HydrophobicContact CD1-CD2 4.03Å; I668-F917 HydrophobicContact CD1-CE2 4.42Å; I708-F917 HydrophobicContact CD1-CB 4.25Å; I708-F917 HydrophobicContact CD1-CD1 3.86Å; I708-F917 HydrophobicContact CD1-CG 4.14Å; A710-F917 HydrophobicContact CB-CE1 3.82Å; A710-F917 HydrophobicContact CB-CZ 4.04Å; M888-F917 HydrophobicContact CE-CD1 3.6Å; M888-F917 HydrophobicContact CE-CE1 3.46Å; M888-F917 VanDerWaalsContact CE-CE1 3.46Å; A913-F917 VanDerWaalsContact O-CE2 3.32Å; A913-F917 WeakPolarHBondContact O-CE2 3.4Å; G914-F917 WeakPolarHBondContact O-CD2 3.33Å; G914-F917 PolarHBondContact O-N 3.35Å; S915-F917 VanDerWaalsContact C-N 3.27Å; S915-F917 PolarHBondContact O-N 3.24Å; F917-P919 VanDerWaalsContact C-CD 3.48Å; F917-P919 VanDerWaalsContact O-N 3.16Å; F917-E920 PolarHBondContact O-N 2.95Å; F917-L921 HydrophobicContact CB-CD1 3.56Å; F917-L921 HydrophobicContact CB-CG 3.83Å; F917-L921 VanDerWaalsContact O-CG 3.29Å; F917-L921 WeakPolarHBondContact O-CG 3.27Å; F917-L921 PolarHBondContact O-N 3.23Å
918V69.9Low63.7Low1 Ų119.3 Ų19.31%0.00611%0.111CC..Hα-helixtrans-49.7-43-167.3170.50000115F744 V768 S915 M916 L921 V922F744-V918 HydrophobicContact CZ-CG1 4.02Å; V768-V918 HydrophobicContact CB-CG1 4.46Å; V768-V918 HydrophobicContact CG1-CG1 4.03Å; V768-V918 HydrophobicContact CG1-CG2 3.95Å; V768-V918 HydrophobicContact CG2-CG1 3.8Å; S915-V918 VanDerWaalsContact O-CB 3.26Å; S915-V918 WeakPolarHBondContact O-CB 3.34Å; S915-V918 VanDerWaalsContact O-CG2 3.25Å; S915-V918 WeakPolarHBondContact O-CG2 3.47Å; S915-V918 PolarHBondContact O-N 3.46Å; M916-V918 VanDerWaalsContact C-N 3.31Å; V918-L921 PolarHBondContact O-N 3.06Å; V918-V922 HydrophobicContact CG1-CG2 4.16Å; V918-V922 WeakPolarHBondContact O-CB 3.41Å; V918-V922 VanDerWaalsContact O-CG2 3.32Å; V918-V922 WeakPolarHBondContact O-CG2 3.24Å; V918-V922 PolarHBondContact O-N 2.97Å
919P71.7Confident65Low1 Ų118.9 Ų18.91%0.00611%0.109CC..Hα-helixtrans-61-48.5179.6-25.236.2000113.7L748 F917 L923 F1210 W1216L748-P919 HydrophobicContact CD1-CG 4.18Å; F917-P919 VanDerWaalsContact C-CD 3.48Å; F917-P919 VanDerWaalsContact O-N 3.16Å; P919-L923 PolarHBondContact O-N 3.15Å; P919-F1210 HydrophobicContact CB-CZ 4.47Å; P919-W1216 HydrophobicContact CB-CE3 4.47Å; P919-W1216 HydrophobicContact CB-CH2 3.86Å; P919-W1216 HydrophobicContact CB-CZ3 3.83Å; P919-W1216 HydrophobicContact CG-CH2 4.38Å; P919-W1216 HydrophobicContact CG-CZ3 4.29Å
920E71.4Confident66.6Low3 Ų319.6 Ų19.61%0.01411%0.111CC..Hα-helixtrans-65.3-42.7175.2-179.986.6-136.900110.1I708 S887 M888 I889 F917 V922 L923 R924 F1210I708-E920 HydrophobicContact CG2-CG 4.15Å; S887-E920 WeakPolarHBondContact CA-OE2 3.4Å; M888-E920 HydrophobicContact CB-CG 4.29Å; M888-E920 PolarHBondContact N-OE2 2.88Å; I889-E920 WeakPolarHBondContact CG1-OE1 3.49Å; I889-E920 WeakPolarHBondContact CG1-OE2 3.34Å; F917-E920 PolarHBondContact O-N 2.95Å; E920-V922 PolarHBondContact O-N 2.84Å; E920-L923 WeakPolarHBondContact O-CB 3.39Å; E920-L923 PolarHBondContact O-N 3.19Å; E920-R924 HydrophobicContact CG-CG 4.14Å; E920-R924 WeakPolarHBondContact O-CB 3.17Å; E920-R924 WeakPolarHBondContact O-CG 3.48Å; E920-R924 PolarHBondContact O-N 3.32Å; E920-R924 IonicContact OE1-CZ 2.79Å; E920-R924 IonicContact OE1-NE 3.55Å; E920-R924 PolarHBondContact OE1-NE 3.05Å; E920-R924 IonicContact OE1-NH2 2.79Å; E920-R924 PolarHBondContact OE1-NH2 2.83Å; E920-F1210 HydrophobicContact CB-CE1 4.43Å
921L70.9Confident68.3Low3 Ų318.9 Ų18.92%0.01611%0.108CC..Hα-helixtrans-60.1-43.2179.6-66.8179.8000113I666 F706 I708 V717 F917 V918 R924 C925I666-L921 HydrophobicContact CD1-CD1 4.19Å; I666-L921 HydrophobicContact CG2-CD1 3.83Å; F706-L921 HydrophobicContact CE2-CD2 3.72Å; F706-L921 HydrophobicContact CZ-CD2 3.73Å; I708-L921 HydrophobicContact CD1-CD2 4.14Å; V717-L921 HydrophobicContact CB-CD2 4.14Å; V717-L921 HydrophobicContact CG1-CD2 3.78Å; V717-L921 HydrophobicContact CG2-CD2 3.96Å; F917-L921 HydrophobicContact CB-CD1 3.56Å; F917-L921 HydrophobicContact CB-CG 3.83Å; F917-L921 VanDerWaalsContact O-CG 3.29Å; F917-L921 WeakPolarHBondContact O-CG 3.27Å; F917-L921 PolarHBondContact O-N 3.23Å; V918-L921 PolarHBondContact O-N 3.06Å; L921-R924 CarbonylContact O-C 3.37Å; L921-R924 PolarHBondContact O-N 3.23Å; L921-C925 PolarHBondContact O-N 2.91Å; L921-C925 PolarHBondContact O-SG 3.43Å; L921-C925 VanDerWaalsContact O-SG 3.34Å
922V70.3Confident70.2Confident21 Ų2118.6 Ų18.613%0.12711%0.105CC..Hα-helixtrans-64.9-40.8177.4166.30000111.1L694 F766 V918 E920 R924 C925 W1216L694-V922 HydrophobicContact CD2-CG2 4.34Å; F766-V922 HydrophobicContact CE1-CG1 4.29Å; F766-V922 HydrophobicContact CE2-CG2 4.17Å; F766-V922 HydrophobicContact CZ-CB 4.47Å; F766-V922 HydrophobicContact CZ-CG1 3.73Å; F766-V922 HydrophobicContact CZ-CG2 3.81Å; V918-V922 HydrophobicContact CG1-CG2 4.16Å; V918-V922 WeakPolarHBondContact O-CB 3.41Å; V918-V922 VanDerWaalsContact O-CG2 3.32Å; V918-V922 WeakPolarHBondContact O-CG2 3.24Å; V918-V922 PolarHBondContact O-N 2.97Å; E920-V922 PolarHBondContact O-N 2.84Å; V922-R924 VanDerWaalsContact C-N 3.32Å; V922-C925 WeakPolarHBondContact O-CB 3.49Å; V922-C925 PolarHBondContact O-N 3.27Å; V922-W1216 HydrophobicContact CB-CZ2 4.15Å; V922-W1216 HydrophobicContact CG1-CZ2 3.92Å
923L69.8Low71.7Confident67 Ų6719.9 Ų19.935%0.35111%0.11SC..Hα-helixtrans-61.6-42.2172.6-171.380000111.3P919 E920 C925 F1210P919-L923 PolarHBondContact O-N 3.15Å; E920-L923 WeakPolarHBondContact O-CB 3.39Å; E920-L923 PolarHBondContact O-N 3.19Å; L923-C925 VanDerWaalsContact C-N 3.3Å; L923-C925 PolarHBondContact O-N 3.11Å; L923-F1210 HydrophobicContact CB-CE1 4.46Å; L923-F1210 HydrophobicContact CB-CE2 4.19Å; L923-F1210 HydrophobicContact CB-CZ 3.96Å; L923-F1210 HydrophobicContact CD1-CD2 4.15Å; L923-F1210 HydrophobicContact CD1-CE2 3.85Å; L923-F1210 HydrophobicContact CD1-CZ 4.48Å; L923-F1210 HydrophobicContact CD2-CB 4.23Å; L923-F1210 HydrophobicContact CD2-CD1 3.93Å; L923-F1210 HydrophobicContact CD2-CD2 3.61Å; L923-F1210 HydrophobicContact CD2-CE1 4.09Å; L923-F1210 HydrophobicContact CD2-CE2 3.77Å; L923-F1210 HydrophobicContact CD2-CG 3.69Å; L923-F1210 HydrophobicContact CD2-CZ 4Å; L923-F1210 HydrophobicContact CG-CD2 4.4Å; L923-F1210 HydrophobicContact CG-CE2 4.15Å; L923-F1210 HydrophobicContact CG-CZ 4.37Å
924R67.8Low73.2Confident14 Ų1420.3 Ų20.35%0.05311%0.109CC..THydrogen-bonded Turntrans-78.6-0.6-179-64.2-73.2-179.9-177.2-0.1114.6F706 I889 E920 L921 V922 L926 D1144F706-R924 HydrophobicContact CD2-CB 3.8Å; F706-R924 HydrophobicContact CD2-CG 4.15Å; F706-R924 HydrophobicContact CE1-CB 4.18Å; F706-R924 HydrophobicContact CE2-CB 3.34Å; F706-R924 HydrophobicContact CE2-CG 3.89Å; F706-R924 HydrophobicContact CG-CB 4.39Å; F706-R924 HydrophobicContact CZ-CB 3.55Å; I889-R924 VanDerWaalsContact CG1-NH2 3.28Å; E920-R924 HydrophobicContact CG-CG 4.14Å; E920-R924 WeakPolarHBondContact O-CB 3.17Å; E920-R924 WeakPolarHBondContact O-CG 3.48Å; E920-R924 PolarHBondContact O-N 3.32Å; E920-R924 IonicContact OE1-CZ 2.79Å; E920-R924 IonicContact OE1-NE 3.55Å; E920-R924 PolarHBondContact OE1-NE 3.05Å; E920-R924 IonicContact OE1-NH2 2.79Å; E920-R924 PolarHBondContact OE1-NH2 2.83Å; L921-R924 CarbonylContact O-C 3.37Å; L921-R924 PolarHBondContact O-N 3.23Å; V922-R924 VanDerWaalsContact C-N 3.32Å; R924-L926 VanDerWaalsContact O-CD2 3.3Å; R924-L926 WeakPolarHBondContact O-CD2 3.37Å; R924-L926 VanDerWaalsContact O-CG 3.28Å; R924-L926 WeakPolarHBondContact O-CG 3.38Å; R924-L926 PolarHBondContact O-N 2.91Å; R924-D1144 IonicContact CZ-OD1 2.78Å; R924-D1144 IonicContact CZ-OD2 2.75Å; R924-D1144 IonicContact NH1-OD1 2.71Å; R924-D1144 PolarHBondContact NH1-OD1 3.26Å; R924-D1144 VanDerWaalsContact NH1-OD1 3.13Å; R924-D1144 IonicContact NH1-OD2 3.94Å; R924-D1144 PolarHBondContact NH1-OD2 2.65Å; R924-D1144 IonicContact NH2-OD1 3.42Å; R924-D1144 PolarHBondContact NH2-OD1 2.73Å; R924-D1144 IonicContact NH2-OD2 2.7Å; R924-D1144 PolarHBondContact NH2-OD2 2.7Å
925C61.4Low74.7Confident4 Ų422 Ų223%0.02712%0.116CC..SBendtrans-66.25.9-179.7-91.50000115.3L700 T703 L921 V922 L923 A927L700-C925 HydrophobicContact CD2-CB 4.46Å; T703-C925 VanDerWaalsContact CG2-O 3.23Å; T703-C925 WeakPolarHBondContact CG2-O 3.42Å; L921-C925 PolarHBondContact O-N 2.91Å; L921-C925 PolarHBondContact O-SG 3.43Å; L921-C925 VanDerWaalsContact O-SG 3.34Å; V922-C925 WeakPolarHBondContact O-CB 3.49Å; V922-C925 PolarHBondContact O-N 3.27Å; L923-C925 VanDerWaalsContact C-N 3.3Å; L923-C925 PolarHBondContact O-N 3.11Å; C925-A927 PolarHBondContact O-N 3.23Å
926L68.3Low76.1Confident14 Ų1421.9 Ų21.97%0.07312%0.116CC..  trans526.6173.4-50.7-167.5000117.1T703 P704 R924 V928 A929 D930 L1130 L1134T703-L926 HydrophobicContact CG2-CB 4.49Å; P704-L926 HydrophobicContact CG-CD1 3.74Å; R924-L926 VanDerWaalsContact O-CD2 3.3Å; R924-L926 WeakPolarHBondContact O-CD2 3.37Å; R924-L926 VanDerWaalsContact O-CG 3.28Å; R924-L926 WeakPolarHBondContact O-CG 3.38Å; R924-L926 PolarHBondContact O-N 2.91Å; L926-V928 VanDerWaalsContact C-N 3.31Å; L926-V928 PolarHBondContact O-N 3.49Å; L926-A929 WeakPolarHBondContact O-CA 3.35Å; L926-A929 WeakPolarHBondContact O-CB 3.47Å; L926-A929 PolarHBondContact O-N 3.08Å; L926-D930 PolarHBondContact O-N 2.72Å; L926-L1130 HydrophobicContact CB-CB 4.21Å; L926-L1130 HydrophobicContact CB-CD1 4.25Å; L926-L1130 HydrophobicContact CD1-CB 3.47Å; L926-L1130 VanDerWaalsContact CD1-CB 3.47Å; L926-L1130 HydrophobicContact CD1-CD1 4.45Å; L926-L1130 HydrophobicContact CG-CB 4.46Å; L926-L1134 HydrophobicContact CD2-CB 4.37Å; L926-L1134 HydrophobicContact CD2-CD2 3.45Å; L926-L1134 VanDerWaalsContact CD2-CD2 3.45Å; L926-L1134 HydrophobicContact CD2-CG 4.42Å
927A73.4Confident77.1Confident9 Ų924.1 Ų24.17%0.07412%0.122CC..Hα-helixtrans-65-28.9-171.700000113.7P648 P701 C925 E931P648-A927 HydrophobicContact CB-CB 3.67Å; P648-A927 HydrophobicContact CG-CB 3.68Å; P701-A927 HydrophobicContact CG-CB 4.22Å; C925-A927 PolarHBondContact O-N 3.23Å; A927-E931 WeakPolarHBondContact O-CB 3.49Å; A927-E931 PolarHBondContact O-N 3.43Å
928V82.3Confident78Confident35 Ų3530.2 Ų30.221%0.21215%0.148CC..Hα-helixtrans-66.6-43.4170.6-177.40000111.1K646 P648 L926 D930 E931 L932 M1204K646-V928 HydrophobicContact CG-CG1 4.19Å; P648-V928 HydrophobicContact CG-CG2 3.76Å; L926-V928 VanDerWaalsContact C-N 3.31Å; L926-V928 PolarHBondContact O-N 3.49Å; V928-D930 VanDerWaalsContact C-N 3.33Å; V928-D930 PolarHBondContact O-N 3.39Å; V928-E931 PolarHBondContact O-N 3.32Å; V928-L932 WeakPolarHBondContact O-CB 3.28Å; V928-L932 PolarHBondContact O-N 3.01Å; V928-M1204 HydrophobicContact CG1-CB 3.8Å; V928-M1204 HydrophobicContact CG1-CG 3.72Å; V928-M1204 HydrophobicContact CG1-SD 4.24Å
929A84.6Confident78.9Confident2 Ų236 Ų362%0.01718%0.176CC..Hα-helixtrans-67-34.2177.600000111.8L926 R933 L1130 I1133L926-A929 WeakPolarHBondContact O-CA 3.35Å; L926-A929 WeakPolarHBondContact O-CB 3.47Å; L926-A929 PolarHBondContact O-N 3.08Å; A929-R933 WeakPolarHBondContact O-CB 3.47Å; A929-R933 PolarHBondContact O-N 3.02Å; A929-L1130 HydrophobicContact CB-CD2 4.36Å; A929-I1133 HydrophobicContact CB-CB 4.14Å; A929-I1133 HydrophobicContact CB-CG2 3.78Å
930D84.7Confident79.4Confident27 Ų2737 Ų3714%0.14418%0.183CC..Hα-helixtrans-76.3-36.5175.5-165.960000113.1P701 L926 V928 R933 T934 L1130P701-D930 HydrophobicContact CB-CB 4.24Å; P701-D930 VanDerWaalsContact CB-OD2 3.29Å; P701-D930 WeakPolarHBondContact CB-OD2 3.48Å; P701-D930 HydrophobicContact CG-CB 4.15Å; L926-D930 PolarHBondContact O-N 2.72Å; V928-D930 VanDerWaalsContact C-N 3.33Å; V928-D930 PolarHBondContact O-N 3.39Å; D930-R933 PolarHBondContact O-N 2.75Å; D930-R933 IonicContact OD1-CZ 3.85Å; D930-R933 IonicContact OD1-NE 2.66Å; D930-R933 PolarHBondContact OD1-NE 3.11Å; D930-R933 IonicContact OD1-NH2 2.76Å; D930-R933 PolarHBondContact OD1-NH2 3.49Å; D930-T934 WeakPolarHBondContact O-CB 3.47Å; D930-T934 PolarHBondContact O-N 3.09Å; D930-T934 PolarHBondContact O-OG1 3.42Å; D930-L1130 VanDerWaalsContact CA-CD2 3.47Å; D930-L1130 HydrophobicContact CB-CD1 4.01Å; D930-L1130 HydrophobicContact CB-CD2 3.62Å; D930-L1130 HydrophobicContact CB-CG 4.49Å
931E86Confident80Confident55 Ų5537.7 Ų37.726%0.25719%0.187SC..Hα-helixtrans-61.3-46.1171.6-164.6-177.6141.200110.4K646 P648 A649 A927 V928 T935K646-E931 VanDerWaalsContact CE-CD 3.4Å; K646-E931 WeakPolarHBondContact CE-OE1 3.16Å; K646-E931 VanDerWaalsContact CE-OE2 3.3Å; K646-E931 WeakPolarHBondContact CE-OE2 3.34Å; K646-E931 VanDerWaalsContact NZ-CD 3.31Å; K646-E931 IonicContact NZ-OE1 3.32Å; K646-E931 PolarHBondContact NZ-OE1 2.68Å; K646-E931 IonicContact NZ-OE2 2.68Å; K646-E931 PolarHBondContact NZ-OE2 3.14Å; P648-E931 WeakPolarHBondContact CA-OE2 3.42Å; A649-E931 PolarHBondContact N-OE2 2.89Å; A927-E931 WeakPolarHBondContact O-CB 3.49Å; A927-E931 PolarHBondContact O-N 3.43Å; V928-E931 PolarHBondContact O-N 3.32Å; E931-T935 WeakPolarHBondContact O-CB 3.41Å; E931-T935 PolarHBondContact O-N 3Å; E931-T935 PolarHBondContact O-OG1 2.89Å
932L88.6Confident79.8Confident4 Ų439.8 Ų39.82%0.02120%0.202CC..Hα-helixtrans-61.3-52.2174.3179.160.4000112V928 T934 T935 I936 I1133 L1137 L1201 M1204V928-L932 WeakPolarHBondContact O-CB 3.28Å; V928-L932 PolarHBondContact O-N 3.01Å; L932-T934 VanDerWaalsContact C-N 3.32Å; L932-T934 PolarHBondContact O-N 2.7Å; L932-T935 WeakPolarHBondContact O-CB 3.4Å; L932-T935 PolarHBondContact O-N 2.97Å; L932-T935 VanDerWaalsContact O-N 3.16Å; L932-I936 HydrophobicContact CD1-CD1 3.9Å; L932-I936 HydrophobicContact CD1-CG1 4.26Å; L932-I936 HydrophobicContact CG-CD1 3.93Å; L932-I936 WeakPolarHBondContact O-CG1 3.43Å; L932-I936 PolarHBondContact O-N 2.97Å; L932-I1133 HydrophobicContact CD2-CG2 4.07Å; L932-L1137 HydrophobicContact CD2-CD1 4.18Å; L932-L1137 HydrophobicContact CD2-CD2 4.18Å; L932-L1137 HydrophobicContact CD2-CG 4.5Å; L932-L1201 HydrophobicContact CD1-CD2 4.42Å; L932-L1201 HydrophobicContact CD2-CD2 3.81Å; L932-M1204 HydrophobicContact CB-SD 4.04Å; L932-M1204 HydrophobicContact CD1-SD 4.05Å; L932-M1204 HydrophobicContact CD2-SD 4.07Å; L932-M1204 HydrophobicContact CG-SD 4.27Å
933R88.1Confident79.3Confident40 Ų4044 Ų4415%0.15123%0.229CC..Hα-helixtrans-57.8-44179-177.3179.267.8153.62.4112A929 D930 T935 R937 Q1127 P1128 L1130 I1133A929-R933 WeakPolarHBondContact O-CB 3.47Å; A929-R933 PolarHBondContact O-N 3.02Å; D930-R933 PolarHBondContact O-N 2.75Å; D930-R933 IonicContact OD1-CZ 3.85Å; D930-R933 IonicContact OD1-NE 2.66Å; D930-R933 PolarHBondContact OD1-NE 3.11Å; D930-R933 IonicContact OD1-NH2 2.76Å; D930-R933 PolarHBondContact OD1-NH2 3.49Å; R933-T935 VanDerWaalsContact C-N 3.35Å; R933-R937 VanDerWaalsContact O-CB 3.31Å; R933-R937 WeakPolarHBondContact O-CB 3.19Å; R933-R937 PolarHBondContact O-N 2.9Å; R933-Q1127 HydrophobicContact CG-CB 4.47Å; R933-P1128 WeakPolarHBondContact CD-O 3.43Å; R933-P1128 PolarHBondContact NH1-O 2.88Å; R933-L1130 HydrophobicContact CB-CD2 4.41Å; R933-L1130 VanDerWaalsContact NE-CD2 3.32Å; R933-I1133 HydrophobicContact CB-CG1 4.39Å
934T85.3Confident78.4Confident41 Ų4149 Ų4925%0.25225%0.251SS..Hα-helixtrans-68.5-33.9179-65.70000111.9D930 L932 K938D930-T934 WeakPolarHBondContact O-CB 3.47Å; D930-T934 PolarHBondContact O-N 3.09Å; D930-T934 PolarHBondContact O-OG1 3.42Å; L932-T934 VanDerWaalsContact C-N 3.32Å; L932-T934 PolarHBondContact O-N 2.7Å; T934-K938 HydrophobicContact CG2-CD 4.01Å; T934-K938 VanDerWaalsContact CG2-CE 3.47Å; T934-K938 WeakPolarHBondContact O-CB 3.4Å; T934-K938 WeakPolarHBondContact O-CD 3.24Å; T934-K938 VanDerWaalsContact O-CG 3.24Å; T934-K938 WeakPolarHBondContact O-CG 3.36Å; T934-K938 PolarHBondContact O-N 3.1Å; T934-K938 VanDerWaalsContact O-N 3.11Å
935T87.6Confident77.5Confident50 Ų5051.6 Ų51.631%0.30727%0.266SS..Hα-helixtrans-66.8-52.1174.8-58.30000110.3E931 L932 R933 R937 K938 E939E931-T935 WeakPolarHBondContact O-CB 3.41Å; E931-T935 PolarHBondContact O-N 3Å; E931-T935 PolarHBondContact O-OG1 2.89Å; L932-T935 WeakPolarHBondContact O-CB 3.4Å; L932-T935 PolarHBondContact O-N 2.97Å; L932-T935 VanDerWaalsContact O-N 3.16Å; R933-T935 VanDerWaalsContact C-N 3.35Å; T935-R937 VanDerWaalsContact C-N 3.32Å; T935-R937 PolarHBondContact O-N 3.3Å; T935-K938 PolarHBondContact O-N 3.38Å; T935-K938 VanDerWaalsContact O-N 3.12Å; T935-E939 PolarHBondContact O-N 3.46Å
936I88.3Confident76.7Confident0 Ų053.6 Ų53.60%028%0.278CS..Hα-helixtrans-57-45.8175.6-60161.5000110.4L932 K938 E939 A940 F941 Y1267 F1279 W1282L932-I936 HydrophobicContact CD1-CD1 3.9Å; L932-I936 HydrophobicContact CD1-CG1 4.26Å; L932-I936 HydrophobicContact CG-CD1 3.93Å; L932-I936 WeakPolarHBondContact O-CG1 3.43Å; L932-I936 PolarHBondContact O-N 2.97Å; I936-K938 VanDerWaalsContact C-N 3.27Å; I936-K938 PolarHBondContact O-N 3.19Å; I936-E939 PolarHBondContact O-N 2.93Å; I936-A940 HydrophobicContact CG2-CB 4Å; I936-A940 WeakPolarHBondContact O-CB 3.39Å; I936-A940 PolarHBondContact O-N 2.9Å; I936-F941 HydrophobicContact CG2-CE2 4.35Å; I936-Y1267 HydrophobicContact CD1-CE2 4.28Å; I936-Y1267 WeakPolarHBondContact CG2-OH 3.3Å; I936-F1279 HydrophobicContact CD1-CE2 3.82Å; I936-F1279 HydrophobicContact CG1-CE2 4.22Å; I936-F1279 HydrophobicContact CG2-CD2 3.65Å; I936-F1279 HydrophobicContact CG2-CE2 4.02Å; I936-W1282 HydrophobicContact CG1-CH2 3.79Å; I936-W1282 HydrophobicContact CG1-CZ3 3.85Å; I936-W1282 HydrophobicContact CG2-CZ3 4.5Å
937R84.5Confident75.2Confident82 Ų8261.3 Ų61.331%0.30931%0.314SS..Hα-helixtrans-60.6-32.5179.1-179.4171.8175.3-178.5-0.6113.7R933 T935 Q1127R933-R937 VanDerWaalsContact O-CB 3.31Å; R933-R937 WeakPolarHBondContact O-CB 3.19Å; R933-R937 PolarHBondContact O-N 2.9Å; T935-R937 VanDerWaalsContact C-N 3.32Å; T935-R937 PolarHBondContact O-N 3.3Å; R937-Q1127 VanDerWaalsContact CD-OE1 3.26Å
938K84.2Confident73.4Confident161 Ų16165.7 Ų65.770%0.734%0.344SS*.Hα-helixtrans-83.4-27-179.9-75.3170.1-179.8171.30113.7T934 T935 I936T934-K938 HydrophobicContact CG2-CD 4.01Å; T934-K938 VanDerWaalsContact CG2-CE 3.47Å; T934-K938 WeakPolarHBondContact O-CB 3.4Å; T934-K938 WeakPolarHBondContact O-CD 3.24Å; T934-K938 VanDerWaalsContact O-CG 3.24Å; T934-K938 WeakPolarHBondContact O-CG 3.36Å; T934-K938 PolarHBondContact O-N 3.1Å; T934-K938 VanDerWaalsContact O-N 3.11Å; T935-K938 PolarHBondContact O-N 3.38Å; T935-K938 VanDerWaalsContact O-N 3.12Å; I936-K938 VanDerWaalsContact C-N 3.27Å; I936-K938 PolarHBondContact O-N 3.19Å
939E87.4Confident71.1Confident123 Ų12366.5 Ų66.558%0.57536%0.359SS*.Hα-helixtrans-106.1-26.2-173.3-63.4-175.4-167.800114.4T935 I936 W1282T935-E939 PolarHBondContact O-N 3.46Å; I936-E939 PolarHBondContact O-N 2.93Å; E939-W1282 HydrophobicContact CB-CZ2 4.38Å; E939-W1282 WeakPolarHBondContact OE2-CZ2 3.43Å; E939-W1282 PolarHBondContact OE2-NE1 3.35Å
940A82.8Confident68.6Low21 Ų2174 Ų7417%0.17440%0.399CS..SBendtrans-96.7-22.3-17500000114.7I936 W1282I936-A940 HydrophobicContact CG2-CB 4Å; I936-A940 WeakPolarHBondContact O-CB 3.39Å; I936-A940 PolarHBondContact O-N 2.9Å; A940-W1282 HydrophobicContact CB-CB 3.62Å; A940-W1282 HydrophobicContact CB-CD2 4.07Å; A940-W1282 HydrophobicContact CB-CG 3.59Å
941F83.1Confident66.2Low19 Ų1979.6 Ų79.68%0.08343%0.429CS..SBendtrans-126.8148.3-173.6-44.9-55.1000110.9I936 Y1267 V1275 Q1278I936-F941 HydrophobicContact CG2-CE2 4.35Å; F941-Y1267 HydrophobicContact CE2-CE1 4.38Å; F941-Y1267 HydrophobicContact CZ-CE1 4.07Å; F941-V1275 HydrophobicContact CE1-CG1 3.66Å; F941-V1275 HydrophobicContact CE2-CG1 4.31Å; F941-V1275 HydrophobicContact CZ-CG1 3.53Å; F941-Q1278 HydrophobicContact CD1-CB 4.12Å; F941-Q1278 HydrophobicContact CE1-CB 3.81Å
942S68.2Low63.7Low47 Ų4785.2 Ų85.233%0.32946%0.455SS..  trans-83.6159.3-177.986.60000112.1E944 D945 V946S942-E944 PolarHBondContact O-N 2.85Å; S942-E944 PolarHBondContact OG-N 3.27Å; S942-D945 WeakPolarHBondContact CB-OD2 3.47Å; S942-D945 PolarHBondContact N-OD2 2.74Å; S942-D945 PolarHBondContact O-N 2.88Å; S942-D945 PolarHBondContact OG-N 2.84Å; S942-D945 PolarHBondContact OG-OD2 3.28Å; S942-V946 WeakPolarHBondContact O-CG2 3.4Å
943P58Low60.9Low109 Ų10993.4 Ų93.471%0.70849%0.493SS*.THydrogen-bonded Turntrans-62.8-20.9173.9-22.734.5000114.4
944E51.7Low57.9Low171 Ų17194.5 Ų94.580%0.79951%0.511SS*.THydrogen-bonded Turntrans-81-33.9-178.1-61.9-174.8170.800111.4S942 V946S942-E944 PolarHBondContact O-N 2.85Å; S942-E944 PolarHBondContact OG-N 3.27Å; E944-V946 PolarHBondContact O-N 2.85Å
945D49.8Very low55Low70 Ų70100.6 Ų100.637%0.37454%0.536SS..THydrogen-bonded Turntrans-62.9-22.3175.1-58-66.5000112.7S942S942-D945 WeakPolarHBondContact CB-OD2 3.47Å; S942-D945 PolarHBondContact N-OD2 2.74Å; S942-D945 PolarHBondContact O-N 2.88Å; S942-D945 PolarHBondContact OG-N 2.84Å; S942-D945 PolarHBondContact OG-OD2 3.28Å
946V44.1Very low52.1Low45 Ų45103.7 Ų103.727%0.27356%0.557SS.*THydrogen-bonded Turntrans-82.7-19.4-170.9176.30000113.6S942 E944 S948S942-V946 WeakPolarHBondContact O-CG2 3.4Å; E944-V946 PolarHBondContact O-N 2.85Å; V946-S948 PolarHBondContact O-N 2.89Å
947Q36.9Very low49.1Very low177 Ų177111 Ų11183%0.82760%0.595SS**THydrogen-bonded Turntrans-78.722.5-168.4-62.8-167.4-7.200115.8
948S36.2Very low46.4Very low101 Ų101111.5 Ų111.571%0.70660%0.604SS**THydrogen-bonded Turntrans-127.86.6-170.264.50000116.6V946V946-S948 PolarHBondContact O-N 2.89Å
949G34.3Very low43.7Very low51 Ų51107.7 Ų107.753%0.52660%0.597SS.*  trans-149.3109174.400000112.8
950D31.1Very low40.8Very low161 Ų161107.5 Ų107.586%0.86160%0.596SS**  trans-68.1148.8168.7-68.9-65.3000111.3E952D950-E952 PolarHBondContact O-N 2.86Å
951D34.7Very low38.1Very low144 Ų144110.4 Ų110.477%0.7760%0.603SS**  trans-75.261.5177.9-71.7-66.2000112.1
952E32.1Very low35.5Very low172 Ų172111.6 Ų111.680%0.80461%0.613SS**  trans-65.7140.4165.3-73.8-165.9137.500110.6D950 A954D950-E952 PolarHBondContact O-N 2.86Å; E952-A954 PolarHBondContact O-N 3.35Å
953E30.8Very low33.4Very low176 Ų176116.9 Ų116.982%0.82263%0.625SS**  trans-68.874.5179.2-76-167124.100112Q955E953-Q955 PolarHBondContact O-N 2.78Å
954A25Very low31.8Very low64 Ų64118 Ų11853%0.52963%0.631SS.*  trans-60.999.5171.200000109.9E952 R1125E952-A954 PolarHBondContact O-N 3.35Å; A954-R1125 PolarHBondContact O-NH2 3.47Å
955Q24.1Very low30.5Very low168 Ų168118.4 Ų118.479%0.78564%0.638SS**PPolyproline II helixtrans-51.3144.3-176.6-67.8-164.83.200111.8E953 I957E953-Q955 PolarHBondContact O-N 2.78Å; Q955-I957 PolarHBondContact O-N 2.77Å; Q955-I957 VanDerWaalsContact O-N 3.13Å
956P27Very low29.3Very low116 Ų116118.3 Ų118.375%0.75365%0.653SS**PPolyproline II helixtrans-64.3116.9176.827.2-33.5000109.7D958P956-D958 PolarHBondContact O-N 3.08Å
957I24.9Very low28.4Very low153 Ų153123.2 Ų123.279%0.78567%0.668SS**SBendtrans-66.8121.1168.4-61176.3000107.3Q955Q955-I957 PolarHBondContact O-N 2.77Å; Q955-I957 VanDerWaalsContact O-N 3.13Å
958D28.5Very low27.7Very low93 Ų93120.1 Ų120.150%0.49767%0.673SS.*  trans62.3112.2-174.1-75.7-56.2000117.8P956 H960 W961P956-D958 PolarHBondContact O-N 3.08Å; D958-H960 HydrophobicContact CB-CB 4.22Å; D958-W961 VanDerWaalsContact O-CD1 3.24Å
959S26.6Very low27.3Very low80 Ų80121.5 Ų121.556%0.55968%0.677SS**SBendtrans-828.4152.252.10000112.7
960H26.7Very low26.7Very low119 Ų119130.7 Ų130.755%0.55170%0.696SS**G310 helixtrans-85.2-4.6-171.8-115.5-85.8000115.3D958 C962D958-H960 HydrophobicContact CB-CB 4.22Å; H960-C962 VanDerWaalsContact C-N 3.27Å; H960-C962 PolarHBondContact O-N 3.13Å
961W26.2Very low26.6Very low83 Ų83130.7 Ų130.731%0.31470%0.696SS.*G310 helixtrans-64.2-22.3-170.6-73.970.9000115.1D958 R963 L1372 Y1373D958-W961 VanDerWaalsContact O-CD1 3.24Å; W961-R963 PolarHBondContact O-N 2.91Å; W961-L1372 HydrophobicContact CH2-CB 4.38Å; W961-L1372 HydrophobicContact CH2-CD1 3.82Å; W961-L1372 HydrophobicContact CH2-CD2 4.23Å; W961-L1372 HydrophobicContact CH2-CG 4.37Å; W961-L1372 HydrophobicContact CZ2-CD1 4.06Å; W961-L1372 HydrophobicContact CZ3-CB 4.48Å; W961-Y1373 HydrophobicContact CE3-CE1 4.29Å
962C28.3Very low26.2Very low43 Ų43133.4 Ų133.429%0.29170%0.701SS.*G310 helixtrans-9536.3-170-67.10000114.5E707 H960E707-C962 PolarHBondContact OE2-SG 2.77Å; E707-C962 VanDerWaalsContact OE2-SG 3.41Å; H960-C962 VanDerWaalsContact C-N 3.27Å; H960-C962 PolarHBondContact O-N 3.13Å
963R25.2Very low25.7Very low159 Ų159136.4 Ų136.460%0.671%0.705SS**  trans-141.677.6177.6-67.2-170.9-175.6178.24.5114.7W961W961-R963 PolarHBondContact O-N 2.91Å
964T24.5Very low25.6Very low133 Ų133137.9 Ų137.982%0.81671%0.708SS**  -179.695.5123.924.90000111.9
965N22.7Very low25.6Very low179 Ų179139.6 Ų139.696%0.95772%0.717SS**  trans-143.199.5152-123.4-14.7000106.6
966G25.6Very low25.7Very low67 Ų67138.1 Ų138.169%0.69172%0.719SS**SBendtrans168.577.5-163.400000115.1
967Y25.8Very low25.9Very low149 Ų149137.6 Ų137.658%0.58472%0.715SS**  trans26.7104.5145.6-81.4-104000118.4T969 I1561 Q1562Y967-T969 PolarHBondContact O-N 2.57Å; Y967-I1561 PolarHBondContact OH-O 3.32Å; Y967-Q1562 HydrophobicContact CD2-CG 4.36Å; Y967-Q1562 HydrophobicContact CE1-CG 4.45Å; Y967-Q1562 HydrophobicContact CE2-CG 3.52Å; Y967-Q1562 WeakPolarHBondContact OH-CG 3.19Å
968A22Very low25.9Very low112 Ų112137.5 Ų137.593%0.92672%0.716SS**  trans-75.780.8172.300000112.6
969T26.4Very low25.8Very low129 Ų129141.8 Ų141.879%0.79173%0.733SS**  trans-88123.5163.143.50000110.7Y967 N971Y967-T969 PolarHBondContact O-N 2.57Å; T969-N971 PolarHBondContact O-N 2.9Å
970R22.4Very low25.8Very low244 Ų244142.6 Ų142.692%0.92174%0.739SS**  trans-65.1130.5176-73170.5165.6162.1-6110.6
971N28.4Very low25.7Very low161 Ų161142.4 Ų142.486%0.86175%0.75SS**  trans-151.3167.4142.7-116.7-41.3000113.7T969T969-N971 PolarHBondContact O-N 2.9Å
972K27.9Very low25.7Very low201 Ų201146 Ų14687%0.87478%0.775SS**  trans-94.3152.9-153.2-65.9167.5-179.41680115
973R21.5Very low25.6Very low236 Ų236147.3 Ų147.389%0.89180%0.796SS**  trans-59156.2-179.1-64.2172.5167.2171.8-6.8115.4
974K28.1Very low25.6Very low206 Ų206143.2 Ų143.290%0.89680%0.803SS**  trans-161.5107.6137.5-110.4173.2-177.1-175.20115.4
975S24.4Very low25.5Very low101 Ų101146.1 Ų146.171%0.70681%0.808SS**  trans-32.8163150.443.60000118.5
976V26.1Very low25.8Very low137 Ų137143 Ų14383%0.8380%0.797SS**  cis-179.5-175.4-28.2-102.50000106.2
977P31.3Very low25.7Very low105 Ų105147.6 Ų147.668%0.68281%0.806SS**  cis-136.3-178.9-5.536.1-13.3000117.6
978N24.4Very low25.6Very low150 Ų150147 Ų14780%0.80282%0.817SS**  trans18.2142.4142.6-55.26.8000125.7
979E28Very low25.7Very low183 Ų183145 Ų14586%0.85581%0.808SS**  -176115.2116.2-94.5179.7-173.100107.8
980S26.2Very low25.6Very low97 Ų97146.7 Ų146.768%0.67881%0.811SS**  71.9126.771.768.30000115.5
981C25Very low25.5Very low115 Ų115142.5 Ų142.578%0.77781%0.806SS**  cis-152.4-153.5-6.9-78.70000107.5
982D24.8Very low25.3Very low159 Ų159140.3 Ų140.385%0.8580%0.798SS**  cis-166.5170.75.2-141.4-51000112.4
983G26.1Very low25Very low71 Ų71138.7 Ų138.773%0.73279%0.794SS**  trans86.3122.4158.500000119.8
984G26.3Very low25.1Very low73 Ų73136.7 Ų136.775%0.75379%0.792SS**  cis173.3152.4-9.400000115.3
985E22.5Very low24.8Very low194 Ų194136.4 Ų136.491%0.90779%0.794SS**  trans60.7153160.3-63.8-161.5158.200121.4
986P28.2Very low24.9Very low114 Ų114134.8 Ų134.874%0.7479%0.793SS**  -140.4143.8-50.137.4-21000113.8
987D24.6Very low24.8Very low163 Ų163136.2 Ų136.287%0.87279%0.793SS**  trans-152164.3159.6-141.6-25.5000113.2
988V22.9Very low24.4Very low136 Ų136138.8 Ų138.882%0.82480%0.801SS**  trans-94.1115.6-159.3-176.10000113.2
989G23.8Very low24.3Very low70 Ų70141.2 Ų141.272%0.72281%0.808SS**  trans-141.1139.2172.900000113
990L24.2Very low24.2Very low164 Ų164136 Ų13686%0.85980%0.803SS**  trans-77.1134.1180-9975000112.4
991L20.5Very low24.2Very low157 Ų157142.6 Ų142.682%0.82282%0.815SS**  trans-86.7125.3163.3-95.5155.8000110.6Q993L991-Q993 HydrophobicContact CD2-CG 4.44Å
992V24.9Very low24.2Very low114 Ų114145.6 Ų145.669%0.69182%0.815SS**  trans-133.6114.6153.9-179.50000107.7F994V992-F994 HydrophobicContact CG1-CD2 4.29Å; V992-F994 HydrophobicContact CG1-CE2 3.86Å
993Q21.6Very low24.3Very low167 Ų167145.1 Ų145.178%0.7881%0.807SS**  trans-85151.4175.3-62.6173.4-76.800110.7L991L991-Q993 HydrophobicContact CD2-CG 4.44Å
994F23.7Very low24.2Very low195 Ų195147.8 Ų147.886%0.85581%0.805SS**  trans-134.499.1160.5-82.6-75.8000110.8V992V992-F994 HydrophobicContact CG1-CD2 4.29Å; V992-F994 HydrophobicContact CG1-CE2 3.86Å
995E21.1Very low24.2Very low199 Ų199151.2 Ų151.293%0.9381%0.811SS**  trans-132.4152.5158.2-78.9-157124.700108.7
996G26.2Very low24.3Very low68 Ų68147.1 Ų147.170%0.70180%0.803SS**  trans113.274.8-174.500000111.7
997M23.7Very low24.2Very low167 Ų167150.7 Ų150.782%0.82381%0.806SS**  76.511279.2-71.8-158.4-179.400115.7
998N23.3Very low24.3Very low158 Ų158147.8 Ų147.885%0.84580%0.799SS**  trans54.5136.3145-698.6000122.1
999E23.7Very low24.5Very low202 Ų202148.2 Ų148.294%0.94479%0.792SS**  trans-58.4143.8163.2-56.3169.8131.800111.8
1000G25.5Very low24.6Very low74 Ų74153.3 Ų153.376%0.76379%0.794SS**  trans-136.5123.7177.700000111.1
1001Y25.6Very low24.8Very low235 Ų235149.6 Ų149.692%0.92279%0.787SS**  trans-41.9153.7-177.5-100.7-123.4000117.3
1002F24.9Very low25.1Very low178 Ų178149.5 Ų149.578%0.78179%0.787SS**  trans-34.4141.9169.7-95.1-113000116.9
1003E26.2Very low25.1Very low148 Ų148148.9 Ų148.969%0.69280%0.795SS**  trans39.7144.7132-61.2-161.1130.400121.1
1004N24.8Very low25.4Very low128 Ų128145.8 Ų145.868%0.68480%0.797SS**  cis-169.3145.1-7.1-108.5-29.7000107.3
1005V26.3Very low25.5Very low145 Ų145143 Ų14388%0.87980%0.796SS**  trans-172.7147143.6136.30000109.4
1006C23.8Very low26.1Very low108 Ų108138.4 Ų138.473%0.7378%0.784SS**  trans-91.2166.3-167-51.60000115.6
1007K27Very low26.1Very low188 Ų188141.5 Ų141.582%0.81779%0.79SS**  trans83.892.1146.2-77.9168.3-177.6178.50120.2
1008S25.7Very low26.1Very low102 Ų102137.7 Ų137.771%0.71379%0.785SS**  77.5127.9106.3700000122.3
1009E27.3Very low26.3Very low145 Ų145136.6 Ų136.668%0.67878%0.784SS**  trans85.5104.2150-65.7-159.1114.700122.1
1010K27.2Very low26.4Very low177 Ų177135.5 Ų135.577%0.7778%0.778SS**  63.9106.5121.6-66.4173.9-178.4161.90119.8
1011A27.3Very low26.4Very low86 Ų86136.9 Ų136.971%0.71177%0.772SS**  139133.295.900000116.1
1012N26.9Very low26.3Very low155 Ų155132.6 Ų132.683%0.82977%0.765SS**  trans62.6100.2143.8-62.20.8000121.9
1013A25.4Very low26.3Very low102 Ų102128.5 Ų128.584%0.84376%0.758SS**  88163.7116.400000121
1014A27.6Very low26.2Very low101 Ų101126.4 Ų126.484%0.83576%0.76SS**  trans82.913117800000118.5
1015T26.1Very low26.1Very low136 Ų136125.5 Ų125.583%0.83476%0.764SS**  trans-106.6-174.8174.443.30000109.4
1016P33.6Very low26.1Very low103 Ų103122.7 Ų122.767%0.66976%0.756SS**  cis-130.5-153.9-26.923.81.5000111.3
1017T26.5Very low26.2Very low134 Ų134124.1 Ų124.182%0.82276%0.761SS**  trans77.3161.8161.574.40000119.2
1018A23.8Very low26.1Very low87 Ų87119 Ų11972%0.71976%0.755SS**  170.7120-59.300000110.4
1019T27.6Very low26.2Very low134 Ų134119.9 Ų119.982%0.82276%0.76SS**  trans179.8121.515733.10000105.5
1020E24.1Very low26Very low179 Ų179117.6 Ų117.684%0.83676%0.761SS**  cis91.115438.1-159.9-176.4-104.900113.5
1021V26Very low25.7Very low103 Ų103115 Ų11562%0.62476%0.763SS**  trans91.791.8165.9-170.40000118.3
1022N24.2Very low25.6Very low146 Ų146120.1 Ų120.178%0.78177%0.769SS**  59.3155.8123.6-60.7-11.2000122.3
1023S25.1Very low25.3Very low91 Ų91120.6 Ų120.664%0.63677%0.767SS**  cis-174.7164.9-20.455.90000110.7
1024S23.4Very low25.1Very low105 Ų105124.2 Ų124.273%0.73476%0.764SS**  trans59.4150.7145.756.60000121.2
1025S23.4Very low24.9Very low109 Ų109124 Ų12476%0.76275%0.749SS**  cis-174.7-176.7-14.755.70000109.8
1026A25.8Very low24.8Very low86 Ų86125.9 Ų125.971%0.71175%0.748SS**  trans71.9151.3166.300000117.3
1027T26Very low24.3Very low137 Ų137125.8 Ų125.884%0.8474%0.738SS**  cis-170.8158.5-11.625.40000107
1028A25.4Very low24.1Very low82 Ų82124.7 Ų124.768%0.67872%0.724SS**  cis-177179.6-20.700000109
1029S26.9Very low24.1Very low119 Ų119128.2 Ų128.283%0.83273%0.73SS**  trans70.5152.7172.178.70000117.8
1030S23.2Very low23.9Very low98 Ų98131.8 Ų131.869%0.68573%0.734SS**  cis-173.2147.7-28.752.80000110.6
1031C21.6Very low23.7Very low122 Ų122131.3 Ų131.382%0.82473%0.73SS**  trans66.9145.4173.2-58.20000115.2
1032K24.4Very low23.5Very low193 Ų193133 Ų13384%0.83973%0.731SS**  cis-151.8167.88.9-131.1175.5-174.3-170.60109.7
1033E20.4Very low23.4Very low166 Ų166133.2 Ų133.278%0.77673%0.727SS**  trans-76.3154.4169.2-63.6139.413200112
1034F22.7Very low23.3Very low177 Ų177133.6 Ų133.678%0.77673%0.73SS**  177.2131.4121.9-95.3-62.5000113.2
1035D22.6Very low23.3Very low98 Ų98136 Ų13652%0.52473%0.733SS.*  trans56157.7145.9-55.5-14000124.9
1036E24Very low23.2Very low174 Ų174138 Ų13881%0.81373%0.732SS**  trans-93.9151.5176.7-54.5178.1118.300109.8
1037E22.6Very low23.3Very low101 Ų101140.2 Ų140.247%0.47274%0.739SS.*  172.1-179.7124.5-102.1169.4-13900117.3D1546 S1547E1037-D1546 HydrophobicContact CG-CB 4.35Å; E1037-D1546 WeakPolarHBondContact OE1-CA 3.32Å; E1037-D1546 WeakPolarHBondContact OE1-CB 3.32Å; E1037-S1547 PolarHBondContact OE2-N 3.36Å
1038E22.5Very low23.4Very low111 Ų111139 Ų13952%0.51973%0.731SS.*  trans-26.7130.8-173-64.4-166.3141.200117.7Q1543E1038-Q1543 PolarHBondContact OE1-NE2 3.14Å
1039L24.9Very low23.3Very low162 Ų162142.3 Ų142.385%0.84874%0.738SS**  -173.2127.4116.8-104156.9000112.6
1040F22Very low23.1Very low208 Ų208142 Ų14291%0.91274%0.736SS**  trans-136.296.4168.3-123.7-70.8000110.4
1041F20.9Very low23.2Very low170 Ų170143.8 Ų143.875%0.74674%0.743SS**  trans-158.4117.6162.2-117.9-72.4000112.7
1042H22.4Very low23.4Very low139 Ų139145.8 Ų145.864%0.64474%0.744SS**  trans60.2147.7165.1-70.5-20000118.3
1043Q22.5Very low23.4Very low150 Ų150145.4 Ų145.470%0.70175%0.745SS**  cis-155149.41.4-125.1169.241.800110.2
1044S21.1Very low23.6Very low99 Ų99145.2 Ų145.269%0.69275%0.749SS**  trans39.6122.9144.1-54.50000121.7
1045I23.8Very low23.7Very low156 Ų156143.2 Ų143.280%0.875%0.751SS**  -175122.5114.2-95.8154.3000111.4
1046M21.3Very low23.7Very low150 Ų150150.3 Ų150.374%0.73977%0.77SS**  trans44.3146.1154.1-53.1-56.7166.600121.5T1048M1046-T1048 HydrophobicContact CB-CG2 4.32Å; M1046-T1048 HydrophobicContact CG-CG2 4.36Å
1047P27.9Very low23.7Very low133 Ų133149.8 Ų149.886%0.86477%0.773SS**  -118.4150.9100.834.4-35.2000113.3
1048T27.8Very low23.8Very low110 Ų110154.3 Ų154.368%0.67579%0.791SS**  trans-97133.9-173490000113.9M1046M1046-T1048 HydrophobicContact CB-CG2 4.32Å; M1046-T1048 HydrophobicContact CG-CG2 4.36Å
1049D24Very low23.7Very low153 Ų153161 Ų16182%0.81881%0.812SS**  trans38.5100.6145-63.7-37.3000119.6
1050S23.5Very low23.7Very low112 Ų112158.3 Ų158.378%0.78380%0.802SS**  -162.6159.8111.540.30000111.9
1051T25Very low23.7Very low135 Ų135154.6 Ų154.683%0.82880%0.796SS**SBendtrans81.717.5168.7-30.20000118.8
1052I26.4Very low23.9Very low165 Ų165153.7 Ų153.785%0.84680%0.798SS**  trans-128.584.5152.5-53.8-177.3000110.4
1053Q22.9Very low23.9Very low184 Ų184154 Ų15486%0.8680%0.804SS**  trans-140.151-177.2-152.6172.936.300113.1
1054N24.1Very low23.9Very low162 Ų162150.8 Ų150.887%0.86679%0.792SS**SBendtrans-153.911.9172.6-111.7-30.9000118
1055V26.1Very low24Very low135 Ų135150.7 Ų150.782%0.81878%0.784SS**SBendtrans-129.840.1-178.6-154.90000114.1
1056R22.7Very low24.1Very low247 Ų247146.6 Ų146.693%0.93277%0.773SS**  trans-137.461.3166.4-82.7-168.2170.6169.3-1.5112.4
1057N22.5Very low24.4Very low164 Ų164146.1 Ų146.188%0.87778%0.779SS**  trans-155.859168.3-115.3-23.9000115.1
1058K25.5Very low24.3Very low196 Ų196144.9 Ų144.985%0.85277%0.765SS**  trans-135.5101.9155.6-79-167176.9178.40110.6V1060K1058-V1060 PolarHBondContact O-N 3.18Å
1059R21.3Very low24.3Very low251 Ų251142.1 Ų142.195%0.94775%0.748SS**  trans-64.6122157.9-76176.8169.5169.5-4.6107.7
1060V23.7Very low24.4Very low106 Ų106138.7 Ų138.764%0.64273%0.732SS**  trans-116.2120.4163.1-177.30000106.7K1058 L1062K1058-V1060 PolarHBondContact O-N 3.18Å; V1060-L1062 HydrophobicContact CG1-CD2 3.91Å; V1060-L1062 HydrophobicContact CG1-CG 4.09Å; V1060-L1062 PolarHBondContact O-N 3.4Å
1061V22.6Very low24.5Very low130 Ų130137.3 Ų137.379%0.78872%0.716SS**  trans-78.3115.5172.8178.50000107
1062L23.9Very low24.7Very low150 Ų150133.8 Ų133.879%0.78570%0.701SS**  trans-112.6128.2171.4-64.4177.4000108.1V1060V1060-L1062 HydrophobicContact CG1-CD2 3.91Å; V1060-L1062 HydrophobicContact CG1-CG 4.09Å; V1060-L1062 PolarHBondContact O-N 3.4Å
1063N22.8Very low24.4Very low145 Ų145135.2 Ų135.278%0.77570%0.701SS**  trans-89.2141.1173-73.3-38.9000109.3
1064D23.1Very low24.5Very low83 Ų83134.2 Ų134.244%0.44469%0.694SS.*  trans-61.4160171.6-46.9-70000111.6R368R368-D1064 IonicContact CZ-OD2 3.29Å; R368-D1064 VanDerWaalsContact CZ-OD2 3.29Å; R368-D1064 IonicContact NE-OD2 2.72Å; R368-D1064 PolarHBondContact NE-OD2 3.42Å; R368-D1064 IonicContact NH2-OD2 2.74Å; R368-D1064 PolarHBondContact NH2-OD2 3.33Å
1065D22.5Very low24.6Very low97 Ų97131.8 Ų131.852%0.51969%0.685SS.*  trans117.769.4173.5-66-24000114.2K52K52-D1065 IonicContact NZ-OD2 3.22Å; K52-D1065 PolarHBondContact NZ-OD2 3.16Å
1066A27.1Very low24.4Very low70 Ų70136.9 Ų136.958%0.57969%0.689SS**  trans-154.8111.5159.600000110.9F54F54-A1066 HydrophobicContact CE2-CB 4.07Å; F54-A1066 HydrophobicContact CZ-CB 3.79Å
1067V26.1Very low24.4Very low141 Ų141134.3 Ų134.386%0.85569%0.685SS**  trans-111.795.7156.31750000105.3
1068D27.4Very low24.5Very low106 Ų106135 Ų13557%0.56768%0.683SS**  trans-156.1160.7168.1-123.6-35.8000113.6
1069V27.1Very low24.4Very low53 Ų53132.8 Ų132.832%0.32168%0.68SS.*  trans-50.5133.8-169.1179.40000114.9Y1413V1069-Y1413 HydrophobicContact CG2-CE1 3.92Å
1070V26.1Very low24.6Very low81 Ų81131 Ų13149%0.49168%0.68SS.*  trans-89.6116.2162.6178.40000109.6
1071D26.4Very low24.5Very low83 Ų83133.4 Ų133.444%0.44469%0.689SS.*  trans-133.9140.6164.6-160.4-7.2000110.1
1072A27.5Very low24.6Very low61 Ų61135.3 Ų135.350%0.50469%0.694SS.*  trans52.484.5177.200000118.8
1073F22.2Very low24.6Very low194 Ų194134.1 Ų134.185%0.85169%0.693SS**  trans-77.2154.9133.6-104.2-94000109.9
1074F24.9Very low24.8Very low164 Ų164132.8 Ų132.872%0.71969%0.692SS**  trans68.1135.6-166.6-61.2-91.9000114.2
1075V24.6Very low24.8Very low110 Ų110140.7 Ų140.767%0.66772%0.715SS**  cis-125129.514171.80000110.1
1076R22.9Very low25Very low243 Ų243140.8 Ų140.892%0.91772%0.724SS**  trans-75.9131.2154.8-84.5-168.9178.6-172.70.4107.9
1077K23.3Very low25Very low192 Ų192145.8 Ų145.884%0.83574%0.74SS**  trans-10979.7178.9-162.4-168.3-172.7-168.90109.4
1078E23.7Very low24.8Very low178 Ų178147.8 Ų147.883%0.83274%0.74SS**  trans-161.7168.5171.4-104.8140.7-143.600108.1
1079D23Very low24.6Very low150 Ų150148.7 Ų148.780%0.80275%0.754SS**  trans63.849.2178.4-57.4-25000118.1
1080F25.2Very low24.7Very low215 Ų215151.1 Ų151.194%0.94378%0.78SS**  trans-140.888141-104.5-74.9000109.8
1081N22.4Very low24.6Very low155 Ų155157.5 Ų157.583%0.82980%0.801SS**  trans-144.857.4-177.7-147.87.5000111.6
1082L25.3Very low24.4Very low171 Ų171156.8 Ų156.890%0.89581%0.814SS**  trans-127.372.4173-80.7175.7000110.6
1083V23.8Very low24.3Very low125 Ų125163.6 Ų163.676%0.75884%0.835SS**  trans-111.2112.3163.3178.50000107.9R1085V1083-R1085 PolarHBondContact O-N 3.47Å
1084P25.7Very low24.4Very low116 Ų116162.8 Ų162.875%0.75383%0.834SS**  trans-65.1122.8171.4-19.532.7000110.5S1086P1084-S1086 PolarHBondContact O-N 2.86Å
1085R23.4Very low24.4Very low249 Ų249162.2 Ų162.294%0.9484%0.838SS**  trans-82.5110.6173.4-78-179.2168.2-173.7-4.9110.7V1083V1083-R1085 PolarHBondContact O-N 3.47Å
1086S26.4Very low24.4Very low100 Ų100162.4 Ų162.470%0.69984%0.839SS**  trans-163.274.3160.6600000114P1084P1084-S1086 PolarHBondContact O-N 2.86Å
1087L27Very low24.4Very low174 Ų174158.8 Ų158.891%0.91184%0.838SS**  -175.7146.1114.8-118.971.3000110.6
1088E22Very low24.4Very low184 Ų184153.1 Ų153.186%0.8683%0.834SS**  trans-119.6169.2169.4-71.1-173.9139.300110
1089S24.5Very low24.4Very low124 Ų124148.7 Ų148.787%0.86784%0.836SS**  trans75.6101.3165.173.10000119.3
1090A27.5Very low24.6Very low105 Ų105149.3 Ų149.387%0.86884%0.838SS**  -152.8158122.700000109.4
1091K24Very low24.5Very low214 Ų214143.9 Ų143.993%0.9383%0.833SS**  trans-120.4149.3171.2-61.9174.9179.5176.80108.2
1092G23.9Very low24.6Very low69 Ų69145.2 Ų145.271%0.71183%0.834SS**  trans157.693.8161.200000117.6
1093E25.3Very low24.7Very low203 Ų203141.4 Ų141.495%0.94983%0.827SS**  trans61.1-177.1141.5-59.6-172.5147.100119.9
1094Q24.1Very low24.6Very low177 Ų177140.2 Ų140.283%0.82783%0.831SS**  trans-113.3147.5-156.4-59171.8-27.900112
1095L23.7Very low24.8Very low152 Ų152141.3 Ų141.380%0.79684%0.835SS**  172.6135.4116.8-91.7162.1000112.9
1096T24.3Very low25.1Very low115 Ų115133.5 Ų133.571%0.70682%0.823SS**  trans40130.9151.455.60000122.5
1097N23.8Very low25.7Very low167 Ų167132 Ų13289%0.89381%0.808SS**  trans63.289.5151-62.80.4000118.2
1098G23.6Very low26.7Very low73 Ų73127 Ų12775%0.75379%0.787SS**  trans-164.7122.1159.600000109.6
1099G24.2Very low28.1Very low85 Ų85118.6 Ų118.688%0.87675%0.749SS**  trans-76.8132.7-179.500000111.7
1100I26.7Very low29.6Very low163 Ų163116.4 Ų116.484%0.83673%0.733SS**  trans-101.2106.4169.7-60.9178.8000107.9
1101A23.6Very low31Very low100 Ų100116.5 Ų116.583%0.82672%0.719SS**  trans-100.696.1168.900000108.9
1102E24.5Very low32.8Very low183 Ų183107.7 Ų107.786%0.85568%0.683SS**  trans-164131.4165.7-112.8169.9-148.400108.1
1103A25.9Very low34.7Very low92 Ų92104.9 Ų104.976%0.7665%0.652SS**  cis-131.2107.5-2.100000110.6V1105A1103-V1105 PolarHBondContact O-N 3.23Å
1104A23.6Very low36.3Very low100 Ų10097.5 Ų97.583%0.82663%0.626SS**  trans-83.6102163.900000108.8A1106A1104-A1106 PolarHBondContact O-N 2.91Å
1105V28.7Very low38.1Very low138 Ų13892.1 Ų92.184%0.83661%0.608SS**  trans-66.1111152.8176.60000105.3A1103 D1107A1103-V1105 PolarHBondContact O-N 3.23Å; V1105-D1107 VanDerWaalsContact C-N 3.32Å; V1105-D1107 PolarHBondContact O-N 3.15Å
1106A29.3Very low40Very low85 Ų8585.1 Ų85.170%0.70257%0.571SS**  trans-66.190.3-179.200000109.9A1104 S1108A1104-A1106 PolarHBondContact O-N 2.91Å; A1106-S1108 PolarHBondContact O-N 3.4Å; A1106-S1108 VanDerWaalsContact O-N 3.08Å
1107D40.4Very low41.9Very low69 Ų6980.1 Ų80.137%0.36954%0.539SS..  trans-71.5105.2175.3-1793.6000108.9V1105 S1109 S1110 K1489V1105-D1107 VanDerWaalsContact C-N 3.32Å; V1105-D1107 PolarHBondContact O-N 3.15Å; D1107-S1109 PolarHBondContact O-N 2.78Å; D1107-S1109 WeakPolarHBondContact OD1-CB 3.43Å; D1107-S1109 PolarHBondContact OD1-N 2.54Å; D1107-S1109 PolarHBondContact OD1-OG 2.98Å; D1107-S1109 PolarHBondContact OD2-OG 3.28Å; D1107-S1110 WeakPolarHBondContact O-CB 3.45Å; D1107-S1110 PolarHBondContact O-N 3.33Å; D1107-K1489 IonicContact OD1-NZ 2.71Å
1108S47.6Very low43.3Very low68 Ų6879.4 Ų79.448%0.47653%0.528SS..Hα-helixtrans-45.5-12.6171.260.70000116A1106 V1112 K1489A1106-S1108 PolarHBondContact O-N 3.4Å; A1106-S1108 VanDerWaalsContact O-N 3.08Å; S1108-V1112 WeakPolarHBondContact O-CG2 3.19Å; S1108-K1489 PolarHBondContact OG-NZ 3Å
1109S50.5Low44.7Very low9 Ų980.4 Ų80.46%0.06351%0.513CS..Hα-helixtrans-64.1-40.8166.871.30000112.5D1107 V1112 V1113 K1489D1107-S1109 PolarHBondContact O-N 2.78Å; D1107-S1109 WeakPolarHBondContact OD1-CB 3.43Å; D1107-S1109 PolarHBondContact OD1-N 2.54Å; D1107-S1109 PolarHBondContact OD1-OG 2.98Å; D1107-S1109 PolarHBondContact OD2-OG 3.28Å; S1109-V1112 PolarHBondContact O-N 3.41Å; S1109-V1113 WeakPolarHBondContact O-CG2 3.19Å; S1109-V1113 PolarHBondContact O-N 3.35Å; S1109-V1113 VanDerWaalsContact O-N 3.1Å; S1109-K1489 VanDerWaalsContact N-NZ 3.19Å
1110S56.3Low45.8Very low77 Ų7777.8 Ų77.854%0.53848%0.478SS..Hα-helixtrans-69-44.9-172.3-168.40000112.2D1107 V1112 V1113 A1114D1107-S1110 WeakPolarHBondContact O-CB 3.45Å; D1107-S1110 PolarHBondContact O-N 3.33Å; S1110-V1112 VanDerWaalsContact C-N 3.3Å; S1110-V1112 PolarHBondContact O-N 2.89Å; S1110-V1113 PolarHBondContact O-N 3.07Å; S1110-A1114 VanDerWaalsContact O-CB 3.24Å; S1110-A1114 WeakPolarHBondContact O-CB 3.35Å; S1110-A1114 PolarHBondContact O-N 3.18Å
1111D57.2Low46.5Very low108 Ų10875.1 Ų75.158%0.57847%0.469SS*.Hα-helixtrans-64-36177.6-64-48.4000112S1115D1111-S1115 VanDerWaalsContact O-CB 3.25Å; D1111-S1115 WeakPolarHBondContact O-CB 3.27Å; D1111-S1115 PolarHBondContact O-N 2.87Å; D1111-S1115 PolarHBondContact O-OG 3.45Å
1112V62.4Low47.7Very low29 Ų2974.9 Ų74.918%0.17646%0.458CS..Hα-helixtrans-66.6-47.3176173.60000110.9S1108 S1109 S1110 S1115 F1116 F1366 Y1485S1108-V1112 WeakPolarHBondContact O-CG2 3.19Å; S1109-V1112 PolarHBondContact O-N 3.41Å; S1110-V1112 VanDerWaalsContact C-N 3.3Å; S1110-V1112 PolarHBondContact O-N 2.89Å; V1112-S1115 PolarHBondContact O-N 2.99Å; V1112-S1115 PolarHBondContact O-OG 2.97Å; V1112-F1116 PolarHBondContact O-N 2.88Å; V1112-F1116 VanDerWaalsContact O-N 3.1Å; V1112-F1366 HydrophobicContact CG1-CE2 3.93Å; V1112-F1366 HydrophobicContact CG1-CZ 4.04Å; V1112-Y1485 HydrophobicContact CB-CE1 4.23Å; V1112-Y1485 HydrophobicContact CG1-CE1 4.01Å
1113V62.8Low49.1Very low9 Ų977.4 Ų77.46%0.05546%0.46CS..Hα-helixtrans-66-40.9178179.80000111.5S1109 S1110 S1115 F1116 F1117 Q1482 Y1485S1109-V1113 WeakPolarHBondContact O-CG2 3.19Å; S1109-V1113 PolarHBondContact O-N 3.35Å; S1109-V1113 VanDerWaalsContact O-N 3.1Å; S1110-V1113 PolarHBondContact O-N 3.07Å; V1113-S1115 VanDerWaalsContact C-N 3.31Å; V1113-S1115 PolarHBondContact O-N 3.26Å; V1113-F1116 PolarHBondContact O-N 2.99Å; V1113-F1117 HydrophobicContact CG1-CD2 3.72Å; V1113-F1117 HydrophobicContact CG1-CE2 3.79Å; V1113-F1117 WeakPolarHBondContact O-CD2 3.45Å; V1113-F1117 PolarHBondContact O-N 2.89Å; V1113-Q1482 HydrophobicContact CG1-CB 4.4Å; V1113-Q1482 HydrophobicContact CG1-CG 3.6Å; V1113-Y1485 HydrophobicContact CG2-CD1 3.32Å; V1113-Y1485 HydrophobicContact CG2-CE1 4.05Å; V1113-Y1485 HydrophobicContact CG2-CG 3.91Å
1114A59.5Low50.9Low48 Ų4876.9 Ų76.940%0.39744%0.438SS..Hα-helixtrans-65.6-31175.500000112.8S1110 K1118S1110-A1114 VanDerWaalsContact O-CB 3.24Å; S1110-A1114 WeakPolarHBondContact O-CB 3.35Å; S1110-A1114 PolarHBondContact O-N 3.18Å; A1114-K1118 VanDerWaalsContact O-CB 3.27Å; A1114-K1118 WeakPolarHBondContact O-CB 3.43Å; A1114-K1118 WeakPolarHBondContact O-CG 3.02Å; A1114-K1118 PolarHBondContact O-N 3.41Å
1115S61.1Low53Low64 Ų6477.4 Ų77.445%0.44842%0.419SS..Hα-helixtrans-68.7-43.3173.571.40000112.1D1111 V1112 V1113 K1118 Q1119D1111-S1115 VanDerWaalsContact O-CB 3.25Å; D1111-S1115 WeakPolarHBondContact O-CB 3.27Å; D1111-S1115 PolarHBondContact O-N 2.87Å; D1111-S1115 PolarHBondContact O-OG 3.45Å; V1112-S1115 PolarHBondContact O-N 2.99Å; V1112-S1115 PolarHBondContact O-OG 2.97Å; V1113-S1115 VanDerWaalsContact C-N 3.31Å; V1113-S1115 PolarHBondContact O-N 3.26Å; S1115-K1118 WeakPolarHBondContact O-CB 3.09Å; S1115-K1118 PolarHBondContact O-N 3.01Å; S1115-Q1119 PolarHBondContact O-N 2.98Å
1116F63.6Low55Low6 Ų673.5 Ų73.53%0.02639%0.393CS..Hα-helixtrans-61.5-45.9175.7-173.7-119.4000111.4V1112 V1113 Q1119 F1120 H1365 F1366 E1369 W1481V1112-F1116 PolarHBondContact O-N 2.88Å; V1112-F1116 VanDerWaalsContact O-N 3.1Å; V1113-F1116 PolarHBondContact O-N 2.99Å; F1116-Q1119 WeakPolarHBondContact O-CB 3.36Å; F1116-Q1119 PolarHBondContact O-N 3.24Å; F1116-F1120 HydrophobicContact CD1-CE2 4.32Å; F1116-F1120 HydrophobicContact CE1-CE2 4.1Å; F1116-F1120 HydrophobicContact CZ-CE2 4.23Å; F1116-F1120 WeakPolarHBondContact O-CD2 3.49Å; F1116-F1120 PolarHBondContact O-N 2.84Å; F1116-H1365 AromaticContact CE2-CE1 3.87Å; F1116-H1365 AromaticContact CE2-ND1 3.26Å; F1116-H1365 VanDerWaalsContact CE2-ND1 3.26Å; F1116-H1365 WeakPolarHBondContact CE2-ND1 3.39Å; F1116-H1365 HydrophobicContact CZ-CB 4.32Å; F1116-H1365 AromaticContact CZ-ND1 3.2Å; F1116-H1365 WeakPolarHBondContact CZ-ND1 3.18Å; F1116-F1366 HydrophobicContact CD2-CD2 4.04Å; F1116-F1366 HydrophobicContact CE2-CB 4.1Å; F1116-F1366 HydrophobicContact CE2-CD2 4Å; F1116-F1366 HydrophobicContact CG-CD2 4.34Å; F1116-F1366 HydrophobicContact CZ-CB 3.98Å; F1116-F1366 HydrophobicContact CZ-CD2 4.24Å; F1116-E1369 HydrophobicContact CE2-CG 4.39Å; F1116-W1481 AromaticContact CD1-CD1 3.52Å; F1116-W1481 AromaticContact CD1-NE1 3.64Å; F1116-W1481 AromaticContact CE1-CD1 3.55Å; F1116-W1481 HydrophobicContact CE1-CG 4.21Å; F1116-W1481 AromaticContact CE1-NE1 3.58Å
1117F64Low57.3Low9 Ų970.8 Ų70.84%0.03937%0.366CS..Hα-helixtrans-81.3-11.9175.9-65.1-65.5000115.2V1113 Q1119 F1120 T1121 E1478 W1481V1113-F1117 HydrophobicContact CG1-CD2 3.72Å; V1113-F1117 HydrophobicContact CG1-CE2 3.79Å; V1113-F1117 WeakPolarHBondContact O-CD2 3.45Å; V1113-F1117 PolarHBondContact O-N 2.89Å; F1117-Q1119 VanDerWaalsContact C-N 3.35Å; F1117-F1120 HydrophobicContact CD1-CB 4.05Å; F1117-F1120 AromaticContact CD1-CD2 3.31Å; F1117-F1120 HydrophobicContact CD1-CD2 3.31Å; F1117-F1120 AromaticContact CD1-CE2 4Å; F1117-F1120 HydrophobicContact CD1-CE2 4Å; F1117-F1120 AromaticContact CD1-CG 3.91Å; F1117-F1120 HydrophobicContact CD1-CG 3.91Å; F1117-F1120 AromaticContact CE1-CD2 3.57Å; F1117-F1120 HydrophobicContact CE1-CD2 3.57Å; F1117-F1120 AromaticContact CE1-CE2 3.75Å; F1117-F1120 HydrophobicContact CE1-CE2 3.75Å; F1117-F1120 HydrophobicContact CE1-CG 4.35Å; F1117-F1120 HydrophobicContact CG-CD2 4.3Å; F1117-F1120 CarbonylContact O-C 3.47Å; F1117-F1120 PolarHBondContact O-N 3.2Å; F1117-T1121 PolarHBondContact O-N 2.72Å; F1117-T1121 VanDerWaalsContact O-N 3.08Å; F1117-T1121 PolarHBondContact O-OG1 3.12Å; F1117-E1478 HydrophobicContact CB-CG 4.5Å; F1117-E1478 WeakPolarHBondContact CB-OE1 3.36Å; F1117-E1478 HydrophobicContact CD1-CB 3.91Å; F1117-E1478 HydrophobicContact CD1-CG 4.12Å; F1117-E1478 HydrophobicContact CD2-CB 4.21Å; F1117-E1478 HydrophobicContact CD2-CG 3.66Å; F1117-E1478 HydrophobicContact CE1-CB 3.84Å; F1117-E1478 HydrophobicContact CE1-CG 4.36Å; F1117-E1478 HydrophobicContact CE2-CB 4.08Å; F1117-E1478 HydrophobicContact CE2-CG 3.86Å; F1117-E1478 HydrophobicContact CG-CB 4.14Å; F1117-E1478 HydrophobicContact CG-CG 3.81Å; F1117-E1478 VanDerWaalsContact CZ-CA 3.48Å; F1117-E1478 HydrophobicContact CZ-CB 3.95Å; F1117-E1478 HydrophobicContact CZ-CG 4.26Å; F1117-W1481 HydrophobicContact CE2-CB 3.84Å; F1117-W1481 AromaticContact CE2-CD1 3.69Å; F1117-W1481 HydrophobicContact CE2-CG 4.16Å; F1117-W1481 HydrophobicContact CZ-CB 3.75Å; F1117-W1481 AromaticContact CZ-CD1 3.95Å; F1117-W1481 HydrophobicContact CZ-CG 4.18Å
1118K54.9Low59.5Low152 Ų15267.5 Ų67.566%0.66135%0.349SS*.Hα-helixtrans-65.8-36.9163.1-95.9-176.6172.9-179.60112.2A1114 S1115 F1120 T1121 T1122A1114-K1118 VanDerWaalsContact O-CB 3.27Å; A1114-K1118 WeakPolarHBondContact O-CB 3.43Å; A1114-K1118 WeakPolarHBondContact O-CG 3.02Å; A1114-K1118 PolarHBondContact O-N 3.41Å; S1115-K1118 WeakPolarHBondContact O-CB 3.09Å; S1115-K1118 PolarHBondContact O-N 3.01Å; K1118-F1120 VanDerWaalsContact C-N 3.31Å; K1118-T1121 WeakPolarHBondContact CA-OG1 3.48Å; K1118-T1121 CarbonylContact O-C 3.56Å; K1118-T1121 PolarHBondContact O-N 3.16Å; K1118-T1121 PolarHBondContact O-OG1 2.86Å; K1118-T1122 PolarHBondContact O-N 2.71Å; K1118-T1122 PolarHBondContact O-OG1 3.44Å
1119Q51.7Low61.1Low94 Ų9465.3 Ų65.344%0.43934%0.336SS..Hα-helixtrans-63.2-40.2171.8-64.2172.3-56.600110.6S1115 F1116 F1117 T1121 T1122S1115-Q1119 PolarHBondContact O-N 2.98Å; F1116-Q1119 WeakPolarHBondContact O-CB 3.36Å; F1116-Q1119 PolarHBondContact O-N 3.24Å; F1117-Q1119 VanDerWaalsContact C-N 3.35Å; Q1119-T1121 VanDerWaalsContact C-N 3.26Å; Q1119-T1121 PolarHBondContact O-N 3.34Å; Q1119-T1122 PolarHBondContact O-N 2.76Å; Q1119-T1122 PolarHBondContact O-OG1 3.26Å
1120F48.5Very low62.6Low30 Ų3065.1 Ų65.113%0.13234%0.335CS..Hα-helixtrans-68.1-13.3173.2-76.7-73.8000115.9F1116 F1117 K1118 Y1124 H1273 H1365F1116-F1120 HydrophobicContact CD1-CE2 4.32Å; F1116-F1120 HydrophobicContact CE1-CE2 4.1Å; F1116-F1120 HydrophobicContact CZ-CE2 4.23Å; F1116-F1120 WeakPolarHBondContact O-CD2 3.49Å; F1116-F1120 PolarHBondContact O-N 2.84Å; F1117-F1120 HydrophobicContact CD1-CB 4.05Å; F1117-F1120 AromaticContact CD1-CD2 3.31Å; F1117-F1120 HydrophobicContact CD1-CD2 3.31Å; F1117-F1120 AromaticContact CD1-CE2 4Å; F1117-F1120 HydrophobicContact CD1-CE2 4Å; F1117-F1120 AromaticContact CD1-CG 3.91Å; F1117-F1120 HydrophobicContact CD1-CG 3.91Å; F1117-F1120 AromaticContact CE1-CD2 3.57Å; F1117-F1120 HydrophobicContact CE1-CD2 3.57Å; F1117-F1120 AromaticContact CE1-CE2 3.75Å; F1117-F1120 HydrophobicContact CE1-CE2 3.75Å; F1117-F1120 HydrophobicContact CE1-CG 4.35Å; F1117-F1120 HydrophobicContact CG-CD2 4.3Å; F1117-F1120 CarbonylContact O-C 3.47Å; F1117-F1120 PolarHBondContact O-N 3.2Å; K1118-F1120 VanDerWaalsContact C-N 3.31Å; F1120-Y1124 HydrophobicContact CD1-CE2 4.49Å; F1120-Y1124 WeakPolarHBondContact CD1-OH 3.26Å; F1120-Y1124 WeakPolarHBondContact O-CE2 3.48Å; F1120-H1273 AromaticContact CD1-CE1 3.66Å; F1120-H1273 AromaticContact CE1-CE1 3Å; F1120-H1273 WeakPolarHBondContact CE1-CE1 3.4Å; F1120-H1273 AromaticContact CE1-NE2 3.33Å; F1120-H1273 VanDerWaalsContact CE1-NE2 3.33Å; F1120-H1273 WeakPolarHBondContact CE1-NE2 3.46Å; F1120-H1273 AromaticContact CZ-CE1 3.31Å; F1120-H1273 WeakPolarHBondContact CZ-CE1 3.32Å; F1120-H1273 AromaticContact CZ-NE2 3.48Å; F1120-H1273 WeakPolarHBondContact CZ-NE2 3.45Å; F1120-H1365 AromaticContact CE2-CE1 3.47Å; F1120-H1365 VanDerWaalsContact CE2-CE1 3.47Å; F1120-H1365 WeakPolarHBondContact CE2-CE1 3.49Å; F1120-H1365 AromaticContact CE2-ND1 3.68Å; F1120-H1365 AromaticContact CZ-CE1 3.19Å; F1120-H1365 WeakPolarHBondContact CZ-CE1 3.37Å; F1120-H1365 AromaticContact CZ-ND1 3.48Å; F1120-H1365 WeakPolarHBondContact CZ-ND1 3.39Å; F1120-H1365 AromaticContact CZ-NE2 3.98Å
1121T41.3Very low63.7Low107 Ų10766.4 Ų66.466%0.65633%0.328SS*.Hα-helixtrans-116.34.1-18047.50000113.7F1117 K1118 Q1119F1117-T1121 PolarHBondContact O-N 2.72Å; F1117-T1121 VanDerWaalsContact O-N 3.08Å; F1117-T1121 PolarHBondContact O-OG1 3.12Å; K1118-T1121 WeakPolarHBondContact CA-OG1 3.48Å; K1118-T1121 CarbonylContact O-C 3.56Å; K1118-T1121 PolarHBondContact O-N 3.16Å; K1118-T1121 PolarHBondContact O-OG1 2.86Å; Q1119-T1121 VanDerWaalsContact C-N 3.26Å; Q1119-T1121 PolarHBondContact O-N 3.34Å
1122T48.6Very low65.1Low95 Ų9564 Ų6458%0.58331%0.313SS*.SBendtrans-68.7154.6164.6-26.40000108.9K1118 Q1119 Y1124K1118-T1122 PolarHBondContact O-N 2.71Å; K1118-T1122 PolarHBondContact O-OG1 3.44Å; Q1119-T1122 PolarHBondContact O-N 2.76Å; Q1119-T1122 PolarHBondContact O-OG1 3.26Å; T1122-Y1124 PolarHBondContact O-N 2.81Å
1123R53.9Low66.4Low237 Ų23762.6 Ų62.689%0.89430%0.304SS*.  trans-63.1100.9175.3-82.1-176.1173.2174.9-4.4110.1
1124Y62.1Low67.5Low80 Ų8063.1 Ų63.131%0.31431%0.307SS..  trans-58.1147.2171.6-82.4-64.9000111.5F1120 T1122 C1271 G1272F1120-Y1124 HydrophobicContact CD1-CE2 4.49Å; F1120-Y1124 WeakPolarHBondContact CD1-OH 3.26Å; F1120-Y1124 WeakPolarHBondContact O-CE2 3.48Å; T1122-Y1124 PolarHBondContact O-N 2.81Å; Y1124-C1271 VanDerWaalsContact CD1-C 3.47Å; Y1124-G1272 VanDerWaalsContact CD1-N 3.35Å
1125R69.1Low68.8Low112 Ų11262.5 Ų62.542%0.42330%0.297SS..  trans-77.8143.1173.2-65.1175.4171.5157.2-3.4109A954 Q1127 S1270 C1271A954-R1125 PolarHBondContact O-NH2 3.47Å; R1125-Q1127 VanDerWaalsContact CB-O 3.32Å; R1125-Q1127 WeakPolarHBondContact CB-O 3.49Å; R1125-Q1127 PolarHBondContact O-N 2.82Å; R1125-S1270 PolarHBondContact N-O 2.96Å; R1125-C1271 VanDerWaalsContact O-CA 3.27Å; R1125-C1271 WeakPolarHBondContact O-CA 3.45Å; R1125-C1271 VanDerWaalsContact O-CB 3.23Å; R1125-C1271 WeakPolarHBondContact O-CB 3.04Å; R1125-C1271 PolarHBondContact O-SG 2.96Å
1126L70.1Confident70.3Confident56 Ų5659.5 Ų59.529%0.29328%0.275SS..SBendtrans-67.8-15.8172.1-94.8153.2000113.1
1127Q78.4Confident71.6Confident28 Ų2859.3 Ų59.313%0.13128%0.275CS..SBendtrans-148.3146.5-178.859.6-1792.900110.4R933 R937 R1125 C1271R933-Q1127 HydrophobicContact CG-CB 4.47Å; R937-Q1127 VanDerWaalsContact CD-OE1 3.26Å; R1125-Q1127 VanDerWaalsContact CB-O 3.32Å; R1125-Q1127 WeakPolarHBondContact CB-O 3.49Å; R1125-Q1127 PolarHBondContact O-N 2.82Å; Q1127-C1271 VanDerWaalsContact C-SG 3.58Å
1128P85.6Confident72.8Confident0 Ų058.9 Ų58.90%027%0.273CS..  trans-66.1160.2172.6-20.734.2000112.8R933 E1132 I1133 V1266 Y1267 C1271R933-P1128 WeakPolarHBondContact CD-O 3.43Å; R933-P1128 PolarHBondContact NH1-O 2.88Å; P1128-E1132 HydrophobicContact CB-CB 4.3Å; P1128-I1133 HydrophobicContact CB-CD1 3.85Å; P1128-I1133 HydrophobicContact CB-CG1 4.12Å; P1128-I1133 HydrophobicContact CG-CD1 3.87Å; P1128-V1266 HydrophobicContact CB-CG1 3.71Å; P1128-V1266 HydrophobicContact CG-CG1 3.85Å; P1128-Y1267 HydrophobicContact CG-CD1 4.05Å; P1128-Y1267 HydrophobicContact CG-CD2 4.21Å; P1128-Y1267 HydrophobicContact CG-CE1 3.94Å; P1128-Y1267 HydrophobicContact CG-CE2 4.09Å; P1128-Y1267 HydrophobicContact CG-CG 4.18Å; P1128-C1271 VanDerWaalsContact CD-SG 3.55Å
1129G82.4Confident74.4Confident21 Ų2151.6 Ų51.622%0.21624%0.241CC..  trans-70.2149.7168.200000111.7R1131 E1132 I1133G1129-R1131 PolarHBondContact O-N 2.67Å; G1129-E1132 PolarHBondContact N-OE2 3.31Å; G1129-E1132 WeakPolarHBondContact O-CB 3.36Å; G1129-E1132 PolarHBondContact O-N 3.3Å; G1129-I1133 PolarHBondContact O-N 3.29Å; G1129-I1133 VanDerWaalsContact O-N 3.17Å
1130L81.9Confident75.9Confident5 Ų549.1 Ų49.13%0.02623%0.233CC..Hα-helixtrans-62-28.9-176.4-68.7178.2000114.1P704 L926 A929 D930 R933 E1132 L1134P704-L1130 HydrophobicContact CG-CB 4.19Å; L926-L1130 HydrophobicContact CB-CB 4.21Å; L926-L1130 HydrophobicContact CB-CD1 4.25Å; L926-L1130 HydrophobicContact CD1-CB 3.47Å; L926-L1130 VanDerWaalsContact CD1-CB 3.47Å; L926-L1130 HydrophobicContact CD1-CD1 4.45Å; L926-L1130 HydrophobicContact CG-CB 4.46Å; A929-L1130 HydrophobicContact CB-CD2 4.36Å; D930-L1130 VanDerWaalsContact CA-CD2 3.47Å; D930-L1130 HydrophobicContact CB-CD1 4.01Å; D930-L1130 HydrophobicContact CB-CD2 3.62Å; D930-L1130 HydrophobicContact CB-CG 4.49Å; R933-L1130 HydrophobicContact CB-CD2 4.41Å; R933-L1130 VanDerWaalsContact NE-CD2 3.32Å; L1130-E1132 VanDerWaalsContact C-N 3.32Å; L1130-L1134 WeakPolarHBondContact O-CB 3.02Å; L1130-L1134 PolarHBondContact O-N 3.1Å
1131R78.9Confident77.5Confident105 Ų10550.8 Ų50.840%0.39625%0.249SC..Hα-helixtrans-66.6-33.3172.4-175.9177179.9-114.81.6112.3G1129 L1135G1129-R1131 PolarHBondContact O-N 2.67Å; R1131-L1135 WeakPolarHBondContact O-CB 3.32Å; R1131-L1135 PolarHBondContact O-N 3.09Å
1132E85.8Confident79.5Confident56 Ų5646 Ų4626%0.26222%0.22SC..Hα-helixtrans-75.5-41.2-178.8-59.5158.3175.900110.1P1128 G1129 L1130 L1135 A1136 V1266 S1270P1128-E1132 HydrophobicContact CB-CB 4.3Å; G1129-E1132 PolarHBondContact N-OE2 3.31Å; G1129-E1132 WeakPolarHBondContact O-CB 3.36Å; G1129-E1132 PolarHBondContact O-N 3.3Å; L1130-E1132 VanDerWaalsContact C-N 3.32Å; E1132-L1135 PolarHBondContact O-N 3.28Å; E1132-A1136 PolarHBondContact O-N 3.12Å; E1132-A1136 VanDerWaalsContact O-N 3.14Å; E1132-V1266 HydrophobicContact CB-CG1 3.76Å; E1132-V1266 HydrophobicContact CB-CG2 4.45Å; E1132-S1270 PolarHBondContact OE2-OG 3.44Å
1133I89.4Confident80.9Confident0 Ų045.8 Ų45.80%022%0.215CC..Hα-helixtrans-62.4-42.4170.2-58.9-61.9000111.3A929 L932 R933 P1128 G1129 L1135 A1136 L1137 L1263 V1266 Y1267A929-I1133 HydrophobicContact CB-CB 4.14Å; A929-I1133 HydrophobicContact CB-CG2 3.78Å; L932-I1133 HydrophobicContact CD2-CG2 4.07Å; R933-I1133 HydrophobicContact CB-CG1 4.39Å; P1128-I1133 HydrophobicContact CB-CD1 3.85Å; P1128-I1133 HydrophobicContact CB-CG1 4.12Å; P1128-I1133 HydrophobicContact CG-CD1 3.87Å; G1129-I1133 PolarHBondContact O-N 3.29Å; G1129-I1133 VanDerWaalsContact O-N 3.17Å; I1133-L1135 VanDerWaalsContact C-N 3.34Å; I1133-L1135 PolarHBondContact O-N 3.38Å; I1133-A1136 PolarHBondContact O-N 3.15Å; I1133-L1137 HydrophobicContact CG2-CD1 4.24Å; I1133-L1137 WeakPolarHBondContact O-CG 3.37Å; I1133-L1137 PolarHBondContact O-N 2.97Å; I1133-L1263 HydrophobicContact CD1-CD2 4.22Å; I1133-V1266 HydrophobicContact CD1-CG1 4.32Å; I1133-Y1267 HydrophobicContact CD1-CE2 4.23Å
1134L86Confident81.9Confident20 Ų2035.9 Ų35.911%0.10518%0.18CC..Hα-helixtrans-63.6-39.7175.6-176.962.4000111.8L926 L1130 A1136 L1137 T1138 F1146 I1206L926-L1134 HydrophobicContact CD2-CB 4.37Å; L926-L1134 HydrophobicContact CD2-CD2 3.45Å; L926-L1134 VanDerWaalsContact CD2-CD2 3.45Å; L926-L1134 HydrophobicContact CD2-CG 4.42Å; L1130-L1134 WeakPolarHBondContact O-CB 3.02Å; L1130-L1134 PolarHBondContact O-N 3.1Å; L1134-A1136 VanDerWaalsContact C-N 3.34Å; L1134-A1136 PolarHBondContact O-N 3.36Å; L1134-L1137 CarbonylContact O-C 3.52Å; L1134-L1137 WeakPolarHBondContact O-CA 3.36Å; L1134-L1137 WeakPolarHBondContact O-CB 3.28Å; L1134-L1137 PolarHBondContact O-N 3.24Å; L1134-T1138 PolarHBondContact O-N 3.05Å; L1134-T1138 VanDerWaalsContact O-N 3.1Å; L1134-T1138 PolarHBondContact O-OG1 2.98Å; L1134-F1146 HydrophobicContact CD2-CE2 4.3Å; L1134-F1146 HydrophobicContact CD2-CZ 3.82Å; L1134-F1146 HydrophobicContact CG-CE2 4.03Å; L1134-F1146 HydrophobicContact CG-CZ 4.06Å; L1134-I1206 HydrophobicContact CD1-CD1 3.73Å
1135L88Confident82.4Confident36 Ų3635.3 Ų35.319%0.18818%0.182CC..Hα-helixtrans-58.1-45.2176.2-178.8155.7000111.8R1131 E1132 I1133 L1137 T1138 F1146 D1147 M1148 A1151R1131-L1135 WeakPolarHBondContact O-CB 3.32Å; R1131-L1135 PolarHBondContact O-N 3.09Å; E1132-L1135 PolarHBondContact O-N 3.28Å; I1133-L1135 VanDerWaalsContact C-N 3.34Å; I1133-L1135 PolarHBondContact O-N 3.38Å; L1135-L1137 PolarHBondContact O-N 2.85Å; L1135-T1138 PolarHBondContact O-N 3.09Å; L1135-F1146 HydrophobicContact CB-CD2 3.74Å; L1135-F1146 HydrophobicContact CB-CE2 4.12Å; L1135-F1146 HydrophobicContact CD1-CB 4.04Å; L1135-F1146 HydrophobicContact CD1-CD2 4.31Å; L1135-F1146 HydrophobicContact CD1-CG 4.38Å; L1135-F1146 HydrophobicContact CG-CB 4.36Å; L1135-F1146 HydrophobicContact CG-CD2 3.94Å; L1135-F1146 HydrophobicContact CG-CG 4.47Å; L1135-D1147 VanDerWaalsContact CD2-O 3.31Å; L1135-D1147 WeakPolarHBondContact CD2-O 3.43Å; L1135-D1147 WeakPolarHBondContact CG-O 3.41Å; L1135-M1148 PolarHBondContact O-N 3.29Å; L1135-A1151 HydrophobicContact CD2-CB 3.92Å
1136A91.7Very high82.8Confident0 Ų031.2 Ų31.20%017%0.167CC..Hα-helixtrans-69.1-12175.400000114.4E1132 I1133 L1134 M1148 C1259 A1262 L1263 V1266E1132-A1136 PolarHBondContact O-N 3.12Å; E1132-A1136 VanDerWaalsContact O-N 3.14Å; I1133-A1136 PolarHBondContact O-N 3.15Å; L1134-A1136 VanDerWaalsContact C-N 3.34Å; L1134-A1136 PolarHBondContact O-N 3.36Å; A1136-M1148 WeakPolarHBondContact O-CE 3.27Å; A1136-C1259 PolarHBondContact O-SG 3.42Å; A1136-A1262 HydrophobicContact CB-CB 3.92Å; A1136-L1263 HydrophobicContact CB-CB 4.48Å; A1136-L1263 HydrophobicContact CB-CD2 3.71Å; A1136-L1263 HydrophobicContact CB-CG 3.84Å; A1136-V1266 HydrophobicContact CB-CG2 4.04Å
1137L91.4Very high83.5Confident2 Ų231 Ų311%0.0117%0.166CC..Hα-helixtrans-95.8-14.4173.9-70.3171000113.4L932 I1133 L1134 L1135 L1201 M1204 I1205 I1206L932-L1137 HydrophobicContact CD2-CD1 4.18Å; L932-L1137 HydrophobicContact CD2-CD2 4.18Å; L932-L1137 HydrophobicContact CD2-CG 4.5Å; I1133-L1137 HydrophobicContact CG2-CD1 4.24Å; I1133-L1137 WeakPolarHBondContact O-CG 3.37Å; I1133-L1137 PolarHBondContact O-N 2.97Å; L1134-L1137 CarbonylContact O-C 3.52Å; L1134-L1137 WeakPolarHBondContact O-CA 3.36Å; L1134-L1137 WeakPolarHBondContact O-CB 3.28Å; L1134-L1137 PolarHBondContact O-N 3.24Å; L1135-L1137 PolarHBondContact O-N 2.85Å; L1137-L1201 HydrophobicContact CD2-CD2 3.75Å; L1137-M1204 HydrophobicContact CD2-CB 3.95Å; L1137-I1205 HydrophobicContact CD2-CG1 4.32Å; L1137-I1205 CarbonylContact O-C 3.43Å; L1137-I1205 WeakPolarHBondContact O-CA 3.3Å; L1137-I1205 WeakPolarHBondContact O-CG2 3.28Å; L1137-I1206 PolarHBondContact O-N 3.35Å
1138T88.6Confident84Confident0 Ų029.6 Ų29.60%016%0.16CC..BIsolated β-bridgetrans-95.3117.2-174.6-620000111.9L1134 L1135 A1142 D1144 F1146 D1147 M1148L1134-T1138 PolarHBondContact O-N 3.05Å; L1134-T1138 VanDerWaalsContact O-N 3.1Å; L1134-T1138 PolarHBondContact O-OG1 2.98Å; L1135-T1138 PolarHBondContact O-N 3.09Å; T1138-A1142 HydrophobicContact CG2-CB 3.92Å; T1138-D1144 HydrophobicContact CG2-CB 3.92Å; T1138-F1146 WeakPolarHBondContact CG2-O 3.44Å; T1138-D1147 CarbonylContact O-C 3.59Å; T1138-D1147 WeakPolarHBondContact O-CA 3.26Å; T1138-M1148 WeakPolarHBondContact O-CB 3.35Å; T1138-M1148 WeakPolarHBondContact O-CG 3.19Å; T1138-M1148 PolarHBondContact O-N 2.74Å
1139C88.4Confident84Confident0 Ų032.1 Ų32.10%017%0.172CC..  trans-78.5150.9173.4-66.10000111.1S1141 A1142 M1148 I1205 I1206C1139-S1141 PolarHBondContact O-N 2.86Å; C1139-S1141 VanDerWaalsContact O-N 3.09Å; C1139-A1142 WeakPolarHBondContact O-CB 3.37Å; C1139-A1142 PolarHBondContact O-N 3.48Å; C1139-M1148 HydrophobicContact CB-CE 4.47Å; C1139-M1148 VanDerWaalsContact SG-CE 3.56Å; C1139-I1205 VanDerWaalsContact SG-CG2 3.54Å; C1139-I1206 WeakPolarHBondContact CB-O 3.5Å; C1139-I1206 PolarHBondContact N-O 3.06Å
1140P82.8Confident84Confident41 Ų4132.5 Ų32.527%0.26617%0.169SC..G310 helixtrans-56.4-28.7173.8-22.728.4000114.2A1142 N1143 D1147 E1149P1140-A1142 PolarHBondContact O-N 3.38Å; P1140-A1142 VanDerWaalsContact O-N 3.14Å; P1140-N1143 PolarHBondContact O-N 3.37Å; P1140-D1147 HydrophobicContact CB-CB 4.3Å; P1140-D1147 HydrophobicContact CG-CB 3.94Å; P1140-E1149 HydrophobicContact CG-CG 3.54Å; P1140-E1149 WeakPolarHBondContact CG-OE1 3.45Å
1141S83.9Confident84.4Confident66 Ų6632.3 Ų32.346%0.46217%0.168SC..G310 helixtrans-67.6-5.1174.851.90000114.4C1139 V1207 E1209C1139-S1141 PolarHBondContact O-N 2.86Å; C1139-S1141 VanDerWaalsContact O-N 3.09Å; S1141-V1207 CarbonylContact C-O 3.56Å; S1141-V1207 VanDerWaalsContact C-O 3.28Å; S1141-V1207 VanDerWaalsContact CB-O 3.3Å; S1141-V1207 WeakPolarHBondContact CB-O 3.38Å; S1141-V1207 PolarHBondContact OG-O 3.32Å; S1141-E1209 PolarHBondContact O-N 2.89Å
1142A82.3Confident85Confident6 Ų628.8 Ų28.85%0.0516%0.156CC..G310 helixtrans-82.9-15.3168.400000113.9T1138 C1139 P1140 D1144 I1206 E1209T1138-A1142 HydrophobicContact CG2-CB 3.92Å; C1139-A1142 WeakPolarHBondContact O-CB 3.37Å; C1139-A1142 PolarHBondContact O-N 3.48Å; P1140-A1142 PolarHBondContact O-N 3.38Å; P1140-A1142 VanDerWaalsContact O-N 3.14Å; A1142-D1144 VanDerWaalsContact C-N 3.28Å; A1142-D1144 PolarHBondContact O-N 3.31Å; A1142-I1206 HydrophobicContact CB-CG2 3.87Å; A1142-E1209 WeakPolarHBondContact O-CA 3.45Å
1143N77.5Confident85.1Confident91 Ų9126.5 Ų26.549%0.48715%0.146SC..  trans52.941.5178.7-164.230.7000113.9H890 P1140H890-N1143 PolarHBondContact NE2-O 3.21Å; P1140-N1143 PolarHBondContact O-N 3.37Å
1144D75.7Confident85.1Confident28 Ų2826.5 Ų26.515%0.1515%0.146CC..  trans-89.3178.4177.7-158.7-8.8000111.3I889 R924 T1138 A1142 F1146I889-D1144 WeakPolarHBondContact CG2-OD1 3.35Å; R924-D1144 IonicContact CZ-OD1 2.78Å; R924-D1144 IonicContact CZ-OD2 2.75Å; R924-D1144 IonicContact NH1-OD1 2.71Å; R924-D1144 PolarHBondContact NH1-OD1 3.26Å; R924-D1144 VanDerWaalsContact NH1-OD1 3.13Å; R924-D1144 IonicContact NH1-OD2 3.94Å; R924-D1144 PolarHBondContact NH1-OD2 2.65Å; R924-D1144 IonicContact NH2-OD1 3.42Å; R924-D1144 PolarHBondContact NH2-OD1 2.73Å; R924-D1144 IonicContact NH2-OD2 2.7Å; R924-D1144 PolarHBondContact NH2-OD2 2.7Å; T1138-D1144 HydrophobicContact CG2-CB 3.92Å; A1142-D1144 VanDerWaalsContact C-N 3.28Å; A1142-D1144 PolarHBondContact O-N 3.31Å; D1144-F1146 PolarHBondContact O-N 3.03Å
1145L72.4Confident85.4Confident69 Ų6925.6 Ų25.636%0.36114%0.141SC..SBendtrans-65.9-11.3175.6-76.6161.5000114.4F709 I889F709-L1145 HydrophobicContact CE2-CD1 4.5Å; F709-L1145 HydrophobicContact CE2-CD2 4.39Å; I889-L1145 HydrophobicContact CG2-CD1 4.11Å; I889-L1145 HydrophobicContact CG2-CG 3.7Å
1146F77.9Confident85.6Confident26 Ų2624.8 Ų24.811%0.11414%0.137CC..  trans-159.1156.5-178.154.3-97.3000110L1134 L1135 T1138 D1144L1134-F1146 HydrophobicContact CD2-CE2 4.3Å; L1134-F1146 HydrophobicContact CD2-CZ 3.82Å; L1134-F1146 HydrophobicContact CG-CE2 4.03Å; L1134-F1146 HydrophobicContact CG-CZ 4.06Å; L1135-F1146 HydrophobicContact CB-CD2 3.74Å; L1135-F1146 HydrophobicContact CB-CE2 4.12Å; L1135-F1146 HydrophobicContact CD1-CB 4.04Å; L1135-F1146 HydrophobicContact CD1-CD2 4.31Å; L1135-F1146 HydrophobicContact CD1-CG 4.38Å; L1135-F1146 HydrophobicContact CG-CB 4.36Å; L1135-F1146 HydrophobicContact CG-CD2 3.94Å; L1135-F1146 HydrophobicContact CG-CG 4.47Å; T1138-F1146 WeakPolarHBondContact CG2-O 3.44Å; D1144-F1146 PolarHBondContact O-N 3.03Å
1147D84.4Confident85.6Confident50 Ų5024.8 Ų24.827%0.26714%0.137SC..  trans-145.7174.5178.568.976.5000111.7L1135 T1138 P1140 E1149L1135-D1147 VanDerWaalsContact CD2-O 3.31Å; L1135-D1147 WeakPolarHBondContact CD2-O 3.43Å; L1135-D1147 WeakPolarHBondContact CG-O 3.41Å; T1138-D1147 CarbonylContact O-C 3.59Å; T1138-D1147 WeakPolarHBondContact O-CA 3.26Å; P1140-D1147 HydrophobicContact CB-CB 4.3Å; P1140-D1147 HydrophobicContact CG-CB 3.94Å; D1147-E1149 WeakPolarHBondContact OD1-CB 3.25Å; D1147-E1149 PolarHBondContact OD1-N 3.37Å
1148M88.9Confident85.7Confident0 Ų024.7 Ų24.70%014%0.137CC..SBendtrans-77.8-19.3-17565.7176.757.900116.1L1135 A1136 T1138 C1139 N1150 A1151 E1152 I1205 D1258 C1259 A1262L1135-M1148 PolarHBondContact O-N 3.29Å; A1136-M1148 WeakPolarHBondContact O-CE 3.27Å; T1138-M1148 WeakPolarHBondContact O-CB 3.35Å; T1138-M1148 WeakPolarHBondContact O-CG 3.19Å; T1138-M1148 PolarHBondContact O-N 2.74Å; C1139-M1148 HydrophobicContact CB-CE 4.47Å; C1139-M1148 VanDerWaalsContact SG-CE 3.56Å; M1148-N1150 PolarHBondContact O-N 2.67Å; M1148-A1151 CarbonylContact O-C 3.54Å; M1148-A1151 WeakPolarHBondContact O-CA 3.47Å; M1148-A1151 PolarHBondContact O-N 2.96Å; M1148-E1152 WeakPolarHBondContact O-CB 3.39Å; M1148-E1152 PolarHBondContact O-N 3.36Å; M1148-I1205 HydrophobicContact CE-CG2 4.3Å; M1148-D1258 HydrophobicContact SD-CB 4.01Å; M1148-C1259 HydrophobicContact CE-CB 3.89Å; M1148-C1259 HydrophobicContact SD-CB 4.22Å; M1148-A1262 HydrophobicContact CB-CB 3.69Å
1149E85.3Confident86Confident52 Ų5224.7 Ų24.724%0.24314%0.137CC..Hα-helixtrans-67.8-30-161.4-73.1-172.3168.800113.9P1140 D1147 T1153 R1255 P1376P1140-E1149 HydrophobicContact CG-CG 3.54Å; P1140-E1149 WeakPolarHBondContact CG-OE1 3.45Å; D1147-E1149 WeakPolarHBondContact OD1-CB 3.25Å; D1147-E1149 PolarHBondContact OD1-N 3.37Å; E1149-T1153 PolarHBondContact O-N 3.01Å; E1149-T1153 PolarHBondContact O-OG1 3.08Å; E1149-R1255 IonicContact OE1-CZ 3.44Å; E1149-R1255 IonicContact OE1-NH1 3.94Å; E1149-R1255 PolarHBondContact OE1-NH1 3.41Å; E1149-R1255 IonicContact OE1-NH2 2.72Å; E1149-R1255 PolarHBondContact OE1-NH2 2.87Å; E1149-R1255 VanDerWaalsContact OE1-NH2 3.11Å; E1149-P1376 HydrophobicContact CB-CB 3.45Å; E1149-P1376 VanDerWaalsContact CB-CB 3.45Å; E1149-P1376 HydrophobicContact CB-CG 3.43Å; E1149-P1376 VanDerWaalsContact CB-CG 3.43Å
1150N83.9Confident86.2Confident30 Ų3027.3 Ų27.316%0.1615%0.148CC..Hα-helixtrans-68.7-40171.8-83.4-0.7000111.2M1148 T1153 L1154 Y1368 K1374 P1376 L1379M1148-N1150 PolarHBondContact O-N 2.67Å; N1150-T1153 PolarHBondContact O-N 3.05Å; N1150-L1154 PolarHBondContact O-N 3.49Å; N1150-Y1368 HydrophobicContact CB-CE2 4.1Å; N1150-Y1368 VanDerWaalsContact O-CE2 3.28Å; N1150-Y1368 WeakPolarHBondContact O-CE2 3.22Å; N1150-K1374 PolarHBondContact ND2-O 2.69Å; N1150-P1376 VanDerWaalsContact OD1-CA 3.24Å; N1150-P1376 WeakPolarHBondContact OD1-CA 3.41Å; N1150-P1376 WeakPolarHBondContact OD1-CB 3.28Å; N1150-P1376 WeakPolarHBondContact OD1-CG 3.5Å; N1150-L1379 HydrophobicContact CB-CD1 4.38Å; N1150-L1379 VanDerWaalsContact OD1-CD1 3.29Å; N1150-L1379 WeakPolarHBondContact OD1-CD1 3.38Å
1151A88.9Confident86.8Confident1 Ų126.2 Ų26.21%0.00814%0.139CC..Hα-helixtrans-73.3-35.6177.100000112.3L1135 M1148 T1153 L1154 G1155 A1262 V1266L1135-A1151 HydrophobicContact CD2-CB 3.92Å; M1148-A1151 CarbonylContact O-C 3.54Å; M1148-A1151 WeakPolarHBondContact O-CA 3.47Å; M1148-A1151 PolarHBondContact O-N 2.96Å; A1151-T1153 VanDerWaalsContact C-N 3.34Å; A1151-L1154 PolarHBondContact O-N 2.94Å; A1151-G1155 PolarHBondContact O-N 2.95Å; A1151-A1262 HydrophobicContact CB-CB 3.99Å; A1151-V1266 HydrophobicContact CB-CG2 4.24Å
1152E91.7Very high87.2Confident30 Ų3023.2 Ų23.214%0.1412%0.118CC..Hα-helixtrans-53.1-51.3168.8176.3-169.8151.700109.7M1148 L1154 G1155 D1156 D1258 E1261 A1262M1148-E1152 WeakPolarHBondContact O-CB 3.39Å; M1148-E1152 PolarHBondContact O-N 3.36Å; E1152-L1154 VanDerWaalsContact C-N 3.34Å; E1152-L1154 PolarHBondContact O-N 2.82Å; E1152-G1155 PolarHBondContact O-N 3.45Å; E1152-G1155 VanDerWaalsContact O-N 3.13Å; E1152-D1156 WeakPolarHBondContact O-CB 3.35Å; E1152-D1156 PolarHBondContact O-N 3.18Å; E1152-D1258 HydrophobicContact CG-CB 4.34Å; E1152-E1261 HydrophobicContact CG-CB 4.35Å; E1152-A1262 HydrophobicContact CB-CB 4.39Å
1153T87.7Confident87.7Confident9 Ų923 Ų236%0.05512%0.116CC..Hα-helixtrans-59-42180-57.50000112.5E1149 N1150 A1151 S1157 T1364E1149-T1153 PolarHBondContact O-N 3.01Å; E1149-T1153 PolarHBondContact O-OG1 3.08Å; N1150-T1153 PolarHBondContact O-N 3.05Å; A1151-T1153 VanDerWaalsContact C-N 3.34Å; T1153-S1157 PolarHBondContact O-N 2.73Å; T1153-T1364 HydrophobicContact CG2-CG2 4.09Å
1154L90.2Very high88.4Confident0 Ų018.6 Ų18.60%09%0.092CC..Hα-helixtrans-68.2-44.3174.717758.1000111.7N1150 A1151 E1152 S1157 F1158 R1269 Y1361 H1365 Y1368N1150-L1154 PolarHBondContact O-N 3.49Å; A1151-L1154 PolarHBondContact O-N 2.94Å; E1152-L1154 VanDerWaalsContact C-N 3.34Å; E1152-L1154 PolarHBondContact O-N 2.82Å; L1154-S1157 PolarHBondContact O-N 3.02Å; L1154-S1157 PolarHBondContact O-OG 3.25Å; L1154-F1158 PolarHBondContact O-N 2.71Å; L1154-F1158 VanDerWaalsContact O-N 3.08Å; L1154-R1269 HydrophobicContact CD2-CB 4.46Å; L1154-Y1361 HydrophobicContact CD1-CE2 3.84Å; L1154-H1365 HydrophobicContact CD1-CB 4.13Å; L1154-Y1368 HydrophobicContact CB-CD2 4.04Å; L1154-Y1368 HydrophobicContact CB-CE2 4.19Å; L1154-Y1368 HydrophobicContact CD2-CD1 4.08Å; L1154-Y1368 HydrophobicContact CD2-CD2 4.41Å; L1154-Y1368 HydrophobicContact CD2-CE1 4.06Å; L1154-Y1368 HydrophobicContact CD2-CE2 4.36Å; L1154-Y1368 HydrophobicContact CD2-CG 4.29Å
1155G92.8Very high89.1Confident0 Ų018.1 Ų18.10%09%0.09CC..Hα-helixtrans-61.8-46-179.800000113.8A1151 E1152 S1157 F1158 L1159 E1261A1151-G1155 PolarHBondContact O-N 2.95Å; E1152-G1155 PolarHBondContact O-N 3.45Å; E1152-G1155 VanDerWaalsContact O-N 3.13Å; G1155-S1157 PolarHBondContact O-N 2.72Å; G1155-F1158 PolarHBondContact O-N 3.23Å; G1155-L1159 WeakPolarHBondContact O-CB 3.42Å; G1155-L1159 PolarHBondContact O-N 2.92Å; G1155-E1261 WeakPolarHBondContact CA-O 3.48Å
1156D92Very high89.9Confident20 Ų2015 Ų1511%0.1077%0.074CC..Hα-helixtrans-50.9-52.5172.4164.649.7000111.4E1152 F1158 L1159 K1160 R1383E1152-D1156 WeakPolarHBondContact O-CB 3.35Å; E1152-D1156 PolarHBondContact O-N 3.18Å; D1156-F1158 PolarHBondContact O-N 2.99Å; D1156-L1159 PolarHBondContact O-N 3.01Å; D1156-K1160 WeakPolarHBondContact O-CB 3.42Å; D1156-K1160 WeakPolarHBondContact O-CG 3.39Å; D1156-K1160 PolarHBondContact O-N 3.44Å; D1156-K1160 WeakPolarHBondContact OD1-CD 3.4Å; D1156-K1160 WeakPolarHBondContact OD1-CE 3.16Å; D1156-K1160 IonicContact OD1-NZ 2.7Å; D1156-K1160 PolarHBondContact OD1-NZ 3.5Å; D1156-K1160 IonicContact OD2-NZ 2.65Å; D1156-K1160 PolarHBondContact OD2-NZ 3.26Å; D1156-R1383 IonicContact OD2-CZ 3.81Å; D1156-R1383 VanDerWaalsContact OD2-CZ 3.27Å; D1156-R1383 IonicContact OD2-NH1 2.64Å; D1156-R1383 PolarHBondContact OD2-NH1 2.9Å; D1156-R1383 IonicContact OD2-NH2 2.71Å; D1156-R1383 PolarHBondContact OD2-NH2 2.83Å
1157S91.6Very high90.5Very high0 Ų014 Ų140%07%0.07CC..Hα-helixtrans-65.1-39.4-179.171.40000112.7T1153 L1154 G1155 Y1161 D1360T1153-S1157 PolarHBondContact O-N 2.73Å; L1154-S1157 PolarHBondContact O-N 3.02Å; L1154-S1157 PolarHBondContact O-OG 3.25Å; G1155-S1157 PolarHBondContact O-N 2.72Å; S1157-Y1161 WeakPolarHBondContact O-CB 3.37Å; S1157-Y1161 PolarHBondContact O-N 2.62Å; S1157-Y1161 VanDerWaalsContact O-N 3.12Å; S1157-D1360 WeakPolarHBondContact CB-OD2 3.36Å
1158F93.7Very high90.7Very high0 Ų012.5 Ų12.50%06%0.061CC..Hα-helixtrans-70.6-37.2175.3-172.6-104.5000112.8L1154 G1155 D1156 Y1161 A1162 I1264 V1268 H1273 A1276 L1277 M1280 Y1361L1154-F1158 PolarHBondContact O-N 2.71Å; L1154-F1158 VanDerWaalsContact O-N 3.08Å; G1155-F1158 PolarHBondContact O-N 3.23Å; D1156-F1158 PolarHBondContact O-N 2.99Å; F1158-Y1161 AromaticContact CD2-CD1 3.72Å; F1158-Y1161 HydrophobicContact CD2-CD1 3.72Å; F1158-Y1161 HydrophobicContact CD2-CE1 4.18Å; F1158-Y1161 AromaticContact CE2-CD1 3.73Å; F1158-Y1161 HydrophobicContact CE2-CD1 3.73Å; F1158-Y1161 AromaticContact CE2-CE1 3.72Å; F1158-Y1161 HydrophobicContact CE2-CE1 3.72Å; F1158-Y1161 HydrophobicContact CZ-CE1 4.46Å; F1158-Y1161 PolarHBondContact O-N 3.2Å; F1158-A1162 HydrophobicContact CE1-CB 4.46Å; F1158-A1162 WeakPolarHBondContact O-CB 3.04Å; F1158-A1162 PolarHBondContact O-N 3.13Å; F1158-I1264 HydrophobicContact CD1-CG2 3.89Å; F1158-V1268 HydrophobicContact CB-CG2 3.95Å; F1158-V1268 HydrophobicContact CD1-CG2 3.27Å; F1158-V1268 HydrophobicContact CD2-CG1 4.42Å; F1158-V1268 HydrophobicContact CD2-CG2 3.9Å; F1158-V1268 HydrophobicContact CE1-CG2 3.61Å; F1158-V1268 HydrophobicContact CE2-CG2 4.2Å; F1158-V1268 HydrophobicContact CG-CG2 3.41Å; F1158-V1268 VanDerWaalsContact CG-CG2 3.41Å; F1158-V1268 HydrophobicContact CZ-CG2 4.06Å; F1158-H1273 HydrophobicContact CE2-CB 4.17Å; F1158-H1273 AromaticContact CE2-CD2 3.33Å; F1158-H1273 WeakPolarHBondContact CE2-CD2 3.35Å; F1158-H1273 AromaticContact CE2-CG 3.94Å; F1158-H1273 HydrophobicContact CZ-CB 4.1Å; F1158-H1273 AromaticContact CZ-CD2 4Å; F1158-A1276 HydrophobicContact CE1-CB 3.85Å; F1158-A1276 HydrophobicContact CZ-CB 4.29Å; F1158-L1277 HydrophobicContact CE1-CD2 4.38Å; F1158-L1277 HydrophobicContact CE1-CG 4.43Å; F1158-L1277 HydrophobicContact CZ-CD2 4.3Å; F1158-L1277 HydrophobicContact CZ-CG 4.14Å; F1158-M1280 HydrophobicContact CD1-CE 4.45Å; F1158-M1280 HydrophobicContact CD1-SD 3.81Å; F1158-M1280 HydrophobicContact CE1-SD 3.65Å; F1158-Y1361 HydrophobicContact CB-CD2 3.85Å; F1158-Y1361 HydrophobicContact CB-CE2 3.75Å; F1158-Y1361 HydrophobicContact CD2-CD1 4.48Å; F1158-Y1361 HydrophobicContact CD2-CD2 4.08Å; F1158-Y1361 HydrophobicContact CD2-CE1 4.1Å; F1158-Y1361 AromaticContact CD2-CE2 3.67Å; F1158-Y1361 HydrophobicContact CD2-CE2 3.67Å; F1158-Y1361 HydrophobicContact CD2-CG 4.49Å; F1158-Y1361 AromaticContact CD2-CZ 3.71Å; F1158-Y1361 HydrophobicContact CG-CD2 4.49Å; F1158-Y1361 HydrophobicContact CG-CE2 4.18Å
1159L94.4Very high90.6Very high0 Ų015.1 Ų15.10%07%0.072CC..Hα-helixtrans-61.9-48.4176.2171.763.3000110.8G1155 D1156 Y1161 A1162 V1163 I1187 L1192 E1261 I1264 M1280 L1285G1155-L1159 WeakPolarHBondContact O-CB 3.42Å; G1155-L1159 PolarHBondContact O-N 2.92Å; D1156-L1159 PolarHBondContact O-N 3.01Å; L1159-Y1161 PolarHBondContact O-N 3.14Å; L1159-A1162 PolarHBondContact O-N 2.87Å; L1159-V1163 HydrophobicContact CD1-CG2 3.92Å; L1159-V1163 WeakPolarHBondContact O-CB 3.32Å; L1159-V1163 WeakPolarHBondContact O-CG2 3.46Å; L1159-V1163 PolarHBondContact O-N 3.03Å; L1159-I1187 HydrophobicContact CD1-CG2 4.06Å; L1159-I1187 HydrophobicContact CD2-CB 4.02Å; L1159-I1187 HydrophobicContact CD2-CG2 4.08Å; L1159-I1187 HydrophobicContact CG-CB 4.21Å; L1159-I1187 HydrophobicContact CG-CG2 3.7Å; L1159-L1192 HydrophobicContact CD2-CD1 3.77Å; L1159-L1192 HydrophobicContact CD2-CD2 3.97Å; L1159-L1192 HydrophobicContact CD2-CG 4.48Å; L1159-E1261 HydrophobicContact CD2-CG 4.16Å; L1159-I1264 HydrophobicContact CD1-CD1 4.47Å; L1159-M1280 HydrophobicContact CB-CE 4.14Å; L1159-M1280 HydrophobicContact CD1-CE 3.47Å; L1159-M1280 VanDerWaalsContact CD1-CE 3.47Å; L1159-M1280 HydrophobicContact CG-CE 4.42Å; L1159-L1285 HydrophobicContact CD1-CD1 3.75Å; L1159-L1285 HydrophobicContact CD1-CD2 4.43Å
1160K92.8Very high90.6Very high54 Ų5417.7 Ų17.724%0.2358%0.083CC..Hα-helixtrans-55.2-48.4172.7-77.2163.2172.2158.80111.7D1156 A1164 I1187D1156-K1160 WeakPolarHBondContact O-CB 3.42Å; D1156-K1160 WeakPolarHBondContact O-CG 3.39Å; D1156-K1160 PolarHBondContact O-N 3.44Å; D1156-K1160 WeakPolarHBondContact OD1-CD 3.4Å; D1156-K1160 WeakPolarHBondContact OD1-CE 3.16Å; D1156-K1160 IonicContact OD1-NZ 2.7Å; D1156-K1160 PolarHBondContact OD1-NZ 3.5Å; D1156-K1160 IonicContact OD2-NZ 2.65Å; D1156-K1160 PolarHBondContact OD2-NZ 3.26Å; K1160-A1164 WeakPolarHBondContact O-CB 3.39Å; K1160-A1164 PolarHBondContact O-N 2.95Å; K1160-I1187 HydrophobicContact CG-CD1 3.81Å
1161Y94.1Very high90.7Very high19 Ų1918 Ų188%0.0758%0.083CC..Hα-helixtrans-59.1-56176.6158.7-106.3000112.7S1157 F1158 L1159 V1163 A1164 V1165 I1358 Y1361 Y1470 L1477S1157-Y1161 WeakPolarHBondContact O-CB 3.37Å; S1157-Y1161 PolarHBondContact O-N 2.62Å; S1157-Y1161 VanDerWaalsContact O-N 3.12Å; F1158-Y1161 AromaticContact CD2-CD1 3.72Å; F1158-Y1161 HydrophobicContact CD2-CD1 3.72Å; F1158-Y1161 HydrophobicContact CD2-CE1 4.18Å; F1158-Y1161 AromaticContact CE2-CD1 3.73Å; F1158-Y1161 HydrophobicContact CE2-CD1 3.73Å; F1158-Y1161 AromaticContact CE2-CE1 3.72Å; F1158-Y1161 HydrophobicContact CE2-CE1 3.72Å; F1158-Y1161 HydrophobicContact CZ-CE1 4.46Å; F1158-Y1161 PolarHBondContact O-N 3.2Å; L1159-Y1161 PolarHBondContact O-N 3.14Å; Y1161-V1163 PolarHBondContact O-N 2.91Å; Y1161-A1164 PolarHBondContact O-N 3.26Å; Y1161-V1165 HydrophobicContact CD2-CG2 3.88Å; Y1161-V1165 HydrophobicContact CE2-CG2 3.57Å; Y1161-V1165 WeakPolarHBondContact O-CG2 3.19Å; Y1161-V1165 PolarHBondContact O-N 3.14Å; Y1161-I1358 HydrophobicContact CD2-CG1 3.75Å; Y1161-I1358 HydrophobicContact CE2-CG1 3.87Å; Y1161-Y1361 HydrophobicContact CD1-CD1 4.44Å; Y1161-Y1470 HydrophobicContact CE2-CE2 4.23Å; Y1161-Y1470 PolarHBondContact OH-OH 3.13Å; Y1161-L1477 HydrophobicContact CD2-CD2 4.46Å; Y1161-L1477 HydrophobicContact CE1-CD1 4.03Å; Y1161-L1477 HydrophobicContact CE2-CD1 4.32Å; Y1161-L1477 HydrophobicContact CE2-CD2 3.76Å; Y1161-L1477 HydrophobicContact CE2-CG 4.29Å
1162A92.4Very high90.3Very high3 Ų320.8 Ų20.83%0.02511%0.106CC..Hα-helixtrans-62.2-43-175.500000112.3F1158 L1159 C1166 L1277 M1280 V1287F1158-A1162 HydrophobicContact CE1-CB 4.46Å; F1158-A1162 WeakPolarHBondContact O-CB 3.04Å; F1158-A1162 PolarHBondContact O-N 3.13Å; L1159-A1162 PolarHBondContact O-N 2.87Å; A1162-C1166 PolarHBondContact O-N 2.95Å; A1162-C1166 VanDerWaalsContact O-N 3.08Å; A1162-L1277 HydrophobicContact CB-CD2 3.68Å; A1162-M1280 HydrophobicContact CB-CE 4.07Å; A1162-M1280 HydrophobicContact CB-SD 4.49Å; A1162-V1287 HydrophobicContact CB-CB 4.24Å; A1162-V1287 HydrophobicContact CB-CG1 3.82Å
1163V93.3Very high89.4Confident0 Ų024.1 Ų24.10%013%0.125CC..Hα-helixtrans-68.7-39.9176.4174.70000111.1L1159 Y1161 C1166 M1167 R1183 E1186 I1187 V1287L1159-V1163 HydrophobicContact CD1-CG2 3.92Å; L1159-V1163 WeakPolarHBondContact O-CB 3.32Å; L1159-V1163 WeakPolarHBondContact O-CG2 3.46Å; L1159-V1163 PolarHBondContact O-N 3.03Å; Y1161-V1163 PolarHBondContact O-N 2.91Å; V1163-C1166 PolarHBondContact O-N 3.3Å; V1163-M1167 HydrophobicContact CG1-CE 4.4Å; V1163-M1167 HydrophobicContact CG1-CG 4.14Å; V1163-M1167 WeakPolarHBondContact O-CB 3.37Å; V1163-M1167 VanDerWaalsContact O-CG 3.31Å; V1163-M1167 WeakPolarHBondContact O-CG 3.41Å; V1163-M1167 PolarHBondContact O-N 3.37Å; V1163-R1183 HydrophobicContact CG1-CB 4.45Å; V1163-R1183 HydrophobicContact CG1-CG 4.26Å; V1163-E1186 HydrophobicContact CG1-CB 4Å; V1163-E1186 HydrophobicContact CG1-CG 4.24Å; V1163-I1187 HydrophobicContact CB-CG2 4.21Å; V1163-I1187 HydrophobicContact CG1-CG2 4.32Å; V1163-I1187 HydrophobicContact CG2-CG2 4.04Å; V1163-V1287 HydrophobicContact CG2-CG1 3.97Å
1164A92.2Very high89Confident0 Ų025.9 Ų25.90%013%0.132CC..Hα-helixtrans-61.5-46.1175.900000112.1K1160 Y1161 C1166 M1167 F1168 F1353 A1357K1160-A1164 WeakPolarHBondContact O-CB 3.39Å; K1160-A1164 PolarHBondContact O-N 2.95Å; Y1161-A1164 PolarHBondContact O-N 3.26Å; A1164-C1166 VanDerWaalsContact C-N 3.34Å; A1164-C1166 PolarHBondContact O-N 2.85Å; A1164-M1167 PolarHBondContact O-N 2.86Å; A1164-F1168 VanDerWaalsContact O-CB 3.26Å; A1164-F1168 WeakPolarHBondContact O-CB 3.46Å; A1164-F1168 PolarHBondContact O-N 3Å; A1164-F1353 HydrophobicContact CB-CE1 3.84Å; A1164-F1353 HydrophobicContact CB-CZ 3.89Å; A1164-A1357 HydrophobicContact CB-CB 3.82Å
1165V90.4Very high88.3Confident17 Ų1726.4 Ų26.410%0.10313%0.134CC..Hα-helixtrans-58.2-45.6175.3172.80000111.1Y1161 K1169 L1354 Y1470Y1161-V1165 HydrophobicContact CD2-CG2 3.88Å; Y1161-V1165 HydrophobicContact CE2-CG2 3.57Å; Y1161-V1165 WeakPolarHBondContact O-CG2 3.19Å; Y1161-V1165 PolarHBondContact O-N 3.14Å; V1165-K1169 HydrophobicContact CG1-CD 4.37Å; V1165-K1169 WeakPolarHBondContact O-CG 3.48Å; V1165-K1169 PolarHBondContact O-N 2.84Å; V1165-K1169 VanDerWaalsContact O-N 3.17Å; V1165-L1354 HydrophobicContact CG2-CD1 3.78Å; V1165-Y1470 HydrophobicContact CG2-CE1 4Å
1166C89.9Confident87.5Confident3 Ų327.3 Ų27.32%0.0214%0.14CC..Hα-helixtrans-66.3-47.1179.6-172.20000112.3A1162 V1163 A1164 F1168 K1169 K1170 S1286 V1287A1162-C1166 PolarHBondContact O-N 2.95Å; A1162-C1166 VanDerWaalsContact O-N 3.08Å; V1163-C1166 PolarHBondContact O-N 3.3Å; A1164-C1166 VanDerWaalsContact C-N 3.34Å; A1164-C1166 PolarHBondContact O-N 2.85Å; C1166-F1168 PolarHBondContact O-N 2.56Å; C1166-K1169 PolarHBondContact O-N 3.02Å; C1166-K1170 WeakPolarHBondContact O-CB 3.16Å; C1166-K1170 PolarHBondContact O-N 3.41Å; C1166-S1286 WeakPolarHBondContact CB-O 3.35Å; C1166-S1286 PolarHBondContact SG-O 2.87Å; C1166-V1287 WeakPolarHBondContact CB-O 3.42Å
1167M90.7Very high86.7Confident5 Ų528.5 Ų28.53%0.02516%0.157CC..Hα-helixtrans-63.8-40178.9-68.9-58.5171.400112.1V1163 A1164 K1169 K1170 H1171 L1179 L1182 E1186V1163-M1167 HydrophobicContact CG1-CE 4.4Å; V1163-M1167 HydrophobicContact CG1-CG 4.14Å; V1163-M1167 WeakPolarHBondContact O-CB 3.37Å; V1163-M1167 VanDerWaalsContact O-CG 3.31Å; V1163-M1167 WeakPolarHBondContact O-CG 3.41Å; V1163-M1167 PolarHBondContact O-N 3.37Å; A1164-M1167 PolarHBondContact O-N 2.86Å; M1167-K1169 PolarHBondContact O-N 3.38Å; M1167-K1170 PolarHBondContact O-N 2.84Å; M1167-H1171 WeakPolarHBondContact O-CB 3.48Å; M1167-H1171 PolarHBondContact O-N 3.16Å; M1167-L1179 HydrophobicContact CB-CD2 4.34Å; M1167-L1182 HydrophobicContact CE-CB 4.37Å; M1167-L1182 HydrophobicContact CG-CB 4.31Å; M1167-L1182 HydrophobicContact SD-CB 3.99Å; M1167-E1186 HydrophobicContact CE-CG 3.47Å; M1167-E1186 VanDerWaalsContact CE-CG 3.47Å
1168F89Confident86.1Confident19 Ų1930.6 Ų30.68%0.08317%0.167CC..Hα-helixtrans-57.8-47.8174.8-178.8-81.7000111.7A1164 C1166 M1293 R1350 L1354 L1471A1164-F1168 VanDerWaalsContact O-CB 3.26Å; A1164-F1168 WeakPolarHBondContact O-CB 3.46Å; A1164-F1168 PolarHBondContact O-N 3Å; C1166-F1168 PolarHBondContact O-N 2.56Å; F1168-M1293 HydrophobicContact CD1-CE 4.28Å; F1168-M1293 HydrophobicContact CE1-CE 3.88Å; F1168-R1350 WeakPolarHBondContact CD2-O 3.38Å; F1168-R1350 HydrophobicContact CE2-CB 4.09Å; F1168-R1350 VanDerWaalsContact CE2-O 3.26Å; F1168-R1350 WeakPolarHBondContact CE2-O 3.35Å; F1168-R1350 PolarHBondContact O-NH2 3.02Å; F1168-R1350 VanDerWaalsContact O-NH2 3.09Å; F1168-L1354 HydrophobicContact CD1-CD2 4.35Å; F1168-L1354 HydrophobicContact CD2-CB 4.24Å; F1168-L1354 HydrophobicContact CD2-CD2 4.23Å; F1168-L1354 HydrophobicContact CE1-CD2 4.4Å; F1168-L1354 HydrophobicContact CE2-CD2 4.26Å; F1168-L1354 HydrophobicContact CG-CD2 4.28Å; F1168-L1354 HydrophobicContact CZ-CD2 4.36Å; F1168-L1471 HydrophobicContact CE1-CD1 3.93Å; F1168-L1471 HydrophobicContact CE1-CD2 4.47Å; F1168-L1471 HydrophobicContact CZ-CD1 3.87Å
1169K86.4Confident85.7Confident55 Ų5530.6 Ų30.624%0.23917%0.167CC..Hα-helixtrans-70.8-40.5179.3-69.9-177.1-176.1-168.60113.1V1165 C1166 M1167 H1171 C1289 M1293 C1475V1165-K1169 HydrophobicContact CG1-CD 4.37Å; V1165-K1169 WeakPolarHBondContact O-CG 3.48Å; V1165-K1169 PolarHBondContact O-N 2.84Å; V1165-K1169 VanDerWaalsContact O-N 3.17Å; C1166-K1169 PolarHBondContact O-N 3.02Å; M1167-K1169 PolarHBondContact O-N 3.38Å; K1169-H1171 VanDerWaalsContact C-N 3.35Å; K1169-C1289 HydrophobicContact CB-CB 4.27Å; K1169-C1289 HydrophobicContact CD-CB 4.37Å; K1169-M1293 HydrophobicContact CD-SD 4.4Å; K1169-M1293 WeakPolarHBondContact CE-SD 3.42Å; K1169-M1293 HydrophobicContact CG-CE 4.17Å; K1169-M1293 HydrophobicContact CG-SD 4.47Å; K1169-C1475 PolarHBondContact NZ-SG 3.26Å
1170K85.4Confident85.2Confident107 Ų10732.4 Ų32.447%0.46518%0.179SC..Hα-helixtrans-73.5-24-176.7-170.9176.1-178.9178.40113.2C1166 M1167C1166-K1170 WeakPolarHBondContact O-CB 3.16Å; C1166-K1170 PolarHBondContact O-N 3.41Å; M1167-K1170 PolarHBondContact O-N 2.84Å
1171H84.9Confident84.8Confident36 Ų3633.3 Ų33.317%0.16719%0.187CC..  trans-133.773.4-174.4-66.3-48.1000112.4M1167 K1169 D1173 K1174 L1179 R1350M1167-H1171 WeakPolarHBondContact O-CB 3.48Å; M1167-H1171 PolarHBondContact O-N 3.16Å; K1169-H1171 VanDerWaalsContact C-N 3.35Å; H1171-D1173 WeakPolarHBondContact CA-OD1 3.41Å; H1171-D1173 IonicContact ND1-OD1 2.76Å; H1171-D1173 PolarHBondContact O-N 3.07Å; H1171-K1174 HydrophobicContact CB-CB 4.1Å; H1171-K1174 HydrophobicContact CB-CD 3.73Å; H1171-K1174 HydrophobicContact CB-CG 3.91Å; H1171-K1174 PolarHBondContact CD2-NZ 2.88Å; H1171-K1174 VanDerWaalsContact CD2-NZ 3.3Å; H1171-K1174 PolarHBondContact CE1-NZ 2.82Å; H1171-K1174 PolarHBondContact ND1-NZ 3.34Å; H1171-K1174 PolarHBondContact NE2-NZ 3.01Å; H1171-L1179 HydrophobicContact CB-CD2 3.95Å; H1171-R1350 PolarHBondContact O-NH1 3.18Å; H1171-R1350 PolarHBondContact O-NH2 2.71Å
1172A80.2Confident84.5Confident60 Ų6034.6 Ų34.650%0.49620%0.195SC..THydrogen-bonded Turntrans-65-19.7172.300000113.7
1173D74.3Confident84.4Confident99 Ų9936.3 Ų36.353%0.52920%0.2SC..THydrogen-bonded Turntrans-84.3-23.6-177.661.6-51.3000114.5H1171H1171-D1173 WeakPolarHBondContact CA-OD1 3.41Å; H1171-D1173 IonicContact ND1-OD1 2.76Å; H1171-D1173 PolarHBondContact O-N 3.07Å
1174K77.6Confident84.2Confident46 Ų4643.3 Ų43.320%0.223%0.227CC..SBendtrans-86.3153.9-170.2-66.9-175.7-172168.60113.7H1171 Q1178 L1179 L1182 R1350H1171-K1174 HydrophobicContact CB-CB 4.1Å; H1171-K1174 HydrophobicContact CB-CD 3.73Å; H1171-K1174 HydrophobicContact CB-CG 3.91Å; H1171-K1174 PolarHBondContact CD2-NZ 2.88Å; H1171-K1174 VanDerWaalsContact CD2-NZ 3.3Å; H1171-K1174 PolarHBondContact CE1-NZ 2.82Å; H1171-K1174 PolarHBondContact ND1-NZ 3.34Å; H1171-K1174 PolarHBondContact NE2-NZ 3.01Å; K1174-Q1178 HydrophobicContact CB-CB 4.19Å; K1174-L1179 HydrophobicContact CB-CD2 4.05Å; K1174-L1179 HydrophobicContact CB-CG 4.38Å; K1174-L1182 HydrophobicContact CD-CD1 3.58Å; K1174-L1182 VanDerWaalsContact NZ-CD1 3.31Å; K1174-R1350 PolarHBondContact O-NH1 3.08Å
1175Q76.6Confident84Confident11 Ų1148.2 Ų48.25%0.05125%0.253CS..  trans-85.4158.2176.4-62.2-57.7-20.300112.1N562 C563 P564 G1177 Q1178 L1179N562-Q1175 PolarHBondContact O-NE2 3.1Å; N562-Q1175 VanDerWaalsContact O-NE2 3.12Å; C563-Q1175 VanDerWaalsContact C-NE2 3.33Å; P564-Q1175 HydrophobicContact CG-CG 4.44Å; Q1175-G1177 PolarHBondContact O-N 2.85Å; Q1175-Q1178 WeakPolarHBondContact O-CA 3.44Å; Q1175-Q1178 WeakPolarHBondContact O-CB 3.29Å; Q1175-Q1178 PolarHBondContact O-N 3.33Å; Q1175-L1179 PolarHBondContact O-N 3.13Å
1176P76.7Confident84Confident20 Ų2049.5 Ų49.513%0.1326%0.258CS..Hα-helixtrans-51.6-47.1-176-26.331.9000114.3Q1178 L1179 S1180 E1349 R1350P1176-Q1178 VanDerWaalsContact C-N 3.31Å; P1176-Q1178 PolarHBondContact O-N 3.16Å; P1176-L1179 WeakPolarHBondContact O-CA 3.49Å; P1176-L1179 WeakPolarHBondContact O-CB 3.14Å; P1176-L1179 PolarHBondContact O-N 3.1Å; P1176-S1180 PolarHBondContact O-N 3Å; P1176-S1180 PolarHBondContact O-OG 3.5Å; P1176-E1349 HydrophobicContact CB-CB 4.42Å; P1176-E1349 HydrophobicContact CG-CB 3.49Å; P1176-E1349 VanDerWaalsContact CG-CB 3.49Å; P1176-R1350 HydrophobicContact CG-CG 4.28Å
1177G73.4Confident84Confident44 Ų4450.6 Ų50.645%0.45426%0.264SS..Hα-helixtrans-57.7-41176.100000113.2Q1175 L1179 S1180 D1181Q1175-G1177 PolarHBondContact O-N 2.85Å; G1177-L1179 VanDerWaalsContact C-N 3.33Å; G1177-L1179 PolarHBondContact O-N 3.38Å; G1177-S1180 WeakPolarHBondContact O-CB 3.38Å; G1177-S1180 PolarHBondContact O-N 3.16Å; G1177-D1181 VanDerWaalsContact O-CG 3.32Å; G1177-D1181 PolarHBondContact O-N 3.34Å
1178Q80Confident84Confident45 Ų4552.2 Ų52.221%0.2128%0.275CS..Hα-helixtrans-68.2-31.7176.3-61.9167.6-14.200112.1K1174 Q1175 P1176 L1182K1174-Q1178 HydrophobicContact CB-CB 4.19Å; Q1175-Q1178 WeakPolarHBondContact O-CA 3.44Å; Q1175-Q1178 WeakPolarHBondContact O-CB 3.29Å; Q1175-Q1178 PolarHBondContact O-N 3.33Å; P1176-Q1178 VanDerWaalsContact C-N 3.31Å; P1176-Q1178 PolarHBondContact O-N 3.16Å; Q1178-L1182 VanDerWaalsContact O-CD1 3.24Å; Q1178-L1182 WeakPolarHBondContact O-CD1 3.3Å; Q1178-L1182 WeakPolarHBondContact O-CG 3.18Å; Q1178-L1182 PolarHBondContact O-N 3.07Å
1179L85.7Confident84Confident0 Ų054.8 Ų54.80%029%0.29CS..Hα-helixtrans-70.3-39.9171.9-62.9176000111M1167 H1171 K1174 Q1175 P1176 G1177 L1182 R1183 F1353M1167-L1179 HydrophobicContact CB-CD2 4.34Å; H1171-L1179 HydrophobicContact CB-CD2 3.95Å; K1174-L1179 HydrophobicContact CB-CD2 4.05Å; K1174-L1179 HydrophobicContact CB-CG 4.38Å; Q1175-L1179 PolarHBondContact O-N 3.13Å; P1176-L1179 WeakPolarHBondContact O-CA 3.49Å; P1176-L1179 WeakPolarHBondContact O-CB 3.14Å; P1176-L1179 PolarHBondContact O-N 3.1Å; G1177-L1179 VanDerWaalsContact C-N 3.33Å; G1177-L1179 PolarHBondContact O-N 3.38Å; L1179-L1182 PolarHBondContact O-N 2.86Å; L1179-R1183 WeakPolarHBondContact O-CB 3.03Å; L1179-R1183 PolarHBondContact O-N 3.32Å; L1179-F1353 HydrophobicContact CB-CD1 4.15Å; L1179-F1353 HydrophobicContact CB-CD2 4.23Å; L1179-F1353 HydrophobicContact CB-CE1 3.83Å; L1179-F1353 HydrophobicContact CB-CE2 3.91Å; L1179-F1353 HydrophobicContact CB-CG 4.34Å; L1179-F1353 HydrophobicContact CB-CZ 3.7Å; L1179-F1353 HydrophobicContact CD1-CD1 3.98Å; L1179-F1353 HydrophobicContact CD1-CE1 4.16Å
1180S84.5Confident84.1Confident37 Ų3755.9 Ų55.926%0.25931%0.309SS..Hα-helixtrans-63.3-40.5174-68.10000112.7P1176 G1177 R1183 R1184P1176-S1180 PolarHBondContact O-N 3Å; P1176-S1180 PolarHBondContact O-OG 3.5Å; G1177-S1180 WeakPolarHBondContact O-CB 3.38Å; G1177-S1180 PolarHBondContact O-N 3.16Å; S1180-R1183 PolarHBondContact O-N 3.08Å; S1180-R1184 VanDerWaalsContact O-CB 3.3Å; S1180-R1184 WeakPolarHBondContact O-CB 3.43Å; S1180-R1184 PolarHBondContact O-N 3.34Å
1181D82.8Confident84.5Confident73 Ų7352.3 Ų52.339%0.3930%0.295SS..Hα-helixtrans-64.3-42.3174-67.3-31.1000111.9G1177 R1184 N1185G1177-D1181 VanDerWaalsContact O-CG 3.32Å; G1177-D1181 PolarHBondContact O-N 3.34Å; D1181-R1184 PolarHBondContact O-N 2.88Å; D1181-R1184 IonicContact OD1-CZ 3.5Å; D1181-R1184 IonicContact OD1-NH1 3.62Å; D1181-R1184 PolarHBondContact OD1-NH1 2.92Å; D1181-R1184 IonicContact OD1-NH2 3.11Å; D1181-N1185 WeakPolarHBondContact O-CB 3.46Å; D1181-N1185 VanDerWaalsContact O-CG 3.22Å; D1181-N1185 PolarHBondContact O-N 2.92Å; D1181-N1185 PolarHBondContact O-ND2 3.07Å
1182L87.6Confident84.9Confident46 Ų4650.6 Ų50.624%0.24129%0.287CS..Hα-helixtrans-66.3-41176.2-68.5162.9000111.7M1167 K1174 Q1178 L1179 N1185 E1186M1167-L1182 HydrophobicContact CE-CB 4.37Å; M1167-L1182 HydrophobicContact CG-CB 4.31Å; M1167-L1182 HydrophobicContact SD-CB 3.99Å; K1174-L1182 HydrophobicContact CD-CD1 3.58Å; K1174-L1182 VanDerWaalsContact NZ-CD1 3.31Å; Q1178-L1182 VanDerWaalsContact O-CD1 3.24Å; Q1178-L1182 WeakPolarHBondContact O-CD1 3.3Å; Q1178-L1182 WeakPolarHBondContact O-CG 3.18Å; Q1178-L1182 PolarHBondContact O-N 3.07Å; L1179-L1182 PolarHBondContact O-N 2.86Å; L1182-N1185 PolarHBondContact O-N 3.06Å; L1182-E1186 PolarHBondContact O-N 2.84Å
1183R91.3Very high85.4Confident39 Ų3948 Ų4815%0.14727%0.266CS..Hα-helixtrans-57.9-53.2171.5-175.8170.879.71739.3110.1V1163 L1179 S1180 N1185 E1186 I1187 F1353 D1356V1163-R1183 HydrophobicContact CG1-CB 4.45Å; V1163-R1183 HydrophobicContact CG1-CG 4.26Å; L1179-R1183 WeakPolarHBondContact O-CB 3.03Å; L1179-R1183 PolarHBondContact O-N 3.32Å; S1180-R1183 PolarHBondContact O-N 3.08Å; R1183-N1185 VanDerWaalsContact C-N 3.3Å; R1183-N1185 PolarHBondContact O-N 2.88Å; R1183-E1186 PolarHBondContact O-N 2.84Å; R1183-I1187 HydrophobicContact CG-CD1 4.2Å; R1183-I1187 WeakPolarHBondContact O-CG1 3.47Å; R1183-I1187 WeakPolarHBondContact O-CG2 3.39Å; R1183-I1187 PolarHBondContact O-N 3.1Å; R1183-F1353 HydrophobicContact CB-CE2 4.18Å; R1183-F1353 HydrophobicContact CB-CZ 4.18Å; R1183-D1356 IonicContact CZ-OD2 3.59Å; R1183-D1356 VanDerWaalsContact CZ-OD2 3.23Å; R1183-D1356 IonicContact NH1-OD2 3.58Å; R1183-D1356 PolarHBondContact NH1-OD2 2.83Å; R1183-D1356 IonicContact NH2-OD2 3.4Å; R1183-D1356 PolarHBondContact NH2-OD2 2.75Å
1184R88.8Confident86.3Confident148 Ų14850.2 Ų50.256%0.55827%0.27SS*.Hα-helixtrans-56.6-40.8179.6-164.6-169-64.2112.2-5.9112S1180 D1181 S1188S1180-R1184 VanDerWaalsContact O-CB 3.3Å; S1180-R1184 WeakPolarHBondContact O-CB 3.43Å; S1180-R1184 PolarHBondContact O-N 3.34Å; D1181-R1184 PolarHBondContact O-N 2.88Å; D1181-R1184 IonicContact OD1-CZ 3.5Å; D1181-R1184 IonicContact OD1-NH1 3.62Å; D1181-R1184 PolarHBondContact OD1-NH1 2.92Å; D1181-R1184 IonicContact OD1-NH2 3.11Å; R1184-S1188 WeakPolarHBondContact O-CA 3.32Å; R1184-S1188 VanDerWaalsContact O-CB 3.32Å; R1184-S1188 WeakPolarHBondContact O-CB 3.34Å; R1184-S1188 PolarHBondContact O-N 2.79Å
1185N88.4Confident87Confident103 Ų10348.7 Ų48.755%0.55126%0.264SS*.Hα-helixtrans-66.3-48.7179.5-74.6-36.3000112.7D1181 L1182 R1183 S1188D1181-N1185 WeakPolarHBondContact O-CB 3.46Å; D1181-N1185 VanDerWaalsContact O-CG 3.22Å; D1181-N1185 PolarHBondContact O-N 2.92Å; D1181-N1185 PolarHBondContact O-ND2 3.07Å; L1182-N1185 PolarHBondContact O-N 3.06Å; R1183-N1185 VanDerWaalsContact C-N 3.3Å; R1183-N1185 PolarHBondContact O-N 2.88Å; N1185-S1188 PolarHBondContact O-N 3.23Å; N1185-S1188 PolarHBondContact O-OG 2.99Å
1186E89.5Confident87.8Confident44 Ų4448.1 Ų48.121%0.20626%0.262CS..Hα-helixtrans-64.1-43.7178.4-65.6-81.5129.800112V1163 M1167 L1182 R1183 S1188 N1191 S1286V1163-E1186 HydrophobicContact CG1-CB 4Å; V1163-E1186 HydrophobicContact CG1-CG 4.24Å; M1167-E1186 HydrophobicContact CE-CG 3.47Å; M1167-E1186 VanDerWaalsContact CE-CG 3.47Å; L1182-E1186 PolarHBondContact O-N 2.84Å; R1183-E1186 PolarHBondContact O-N 2.84Å; E1186-S1188 VanDerWaalsContact C-N 3.33Å; E1186-S1188 PolarHBondContact O-N 3.02Å; E1186-N1191 PolarHBondContact O-ND2 2.94Å; E1186-S1286 PolarHBondContact OE1-OG 3.25Å; E1186-S1286 WeakPolarHBondContact OE2-CB 3.38Å; E1186-S1286 PolarHBondContact OE2-N 2.81Å; E1186-S1286 PolarHBondContact OE2-OG 2.95Å
1187I91.3Very high88.4Confident26 Ų2650.4 Ų50.413%0.13327%0.27CS..Hα-helixtrans-84.7-0.9-17779-177.7000113.9L1159 K1160 V1163 R1183 N1189 L1192L1159-I1187 HydrophobicContact CD1-CG2 4.06Å; L1159-I1187 HydrophobicContact CD2-CB 4.02Å; L1159-I1187 HydrophobicContact CD2-CG2 4.08Å; L1159-I1187 HydrophobicContact CG-CB 4.21Å; L1159-I1187 HydrophobicContact CG-CG2 3.7Å; K1160-I1187 HydrophobicContact CG-CD1 3.81Å; V1163-I1187 HydrophobicContact CB-CG2 4.21Å; V1163-I1187 HydrophobicContact CG1-CG2 4.32Å; V1163-I1187 HydrophobicContact CG2-CG2 4.04Å; R1183-I1187 HydrophobicContact CG-CD1 4.2Å; R1183-I1187 WeakPolarHBondContact O-CG1 3.47Å; R1183-I1187 WeakPolarHBondContact O-CG2 3.39Å; R1183-I1187 PolarHBondContact O-N 3.1Å; I1187-N1189 PolarHBondContact O-N 3.36Å; I1187-L1192 WeakPolarHBondContact O-CD1 3.46Å
1188S89.9Confident89.2Confident38 Ų3854.9 Ų54.927%0.26627%0.273SS..  trans-59.5137.7-177.761.90000111.7R1184 N1185 E1186 A1190 N1191 L1192R1184-S1188 WeakPolarHBondContact O-CA 3.32Å; R1184-S1188 VanDerWaalsContact O-CB 3.32Å; R1184-S1188 WeakPolarHBondContact O-CB 3.34Å; R1184-S1188 PolarHBondContact O-N 2.79Å; N1185-S1188 PolarHBondContact O-N 3.23Å; N1185-S1188 PolarHBondContact O-OG 2.99Å; E1186-S1188 VanDerWaalsContact C-N 3.33Å; E1186-S1188 PolarHBondContact O-N 3.02Å; S1188-A1190 PolarHBondContact O-N 2.98Å; S1188-N1191 WeakPolarHBondContact O-CA 3.41Å; S1188-N1191 PolarHBondContact O-N 3.29Å; S1188-N1191 WeakPolarHBondContact OG-CB 3.26Å; S1188-N1191 PolarHBondContact OG-N 2.93Å; S1188-L1192 PolarHBondContact O-N 3.42Å
1189N89.2Confident89.7Confident73 Ų7354.1 Ų54.139%0.3927%0.27SS..Hα-helixtrans-56.4-27178.3-53.576.7000112.1I1187 C1193 A1257I1187-N1189 PolarHBondContact O-N 3.36Å; N1189-C1193 WeakPolarHBondContact O-CB 3.41Å; N1189-C1193 PolarHBondContact O-N 3.31Å; N1189-A1257 HydrophobicContact CB-CB 3.73Å
1190A88.9Confident89.8Confident79 Ų7955.8 Ų55.865%0.65329%0.287SS*.Hα-helixtrans-65.9-41.917200000113S1188 K1194S1188-A1190 PolarHBondContact O-N 2.98Å; A1190-K1194 WeakPolarHBondContact O-CB 3.45Å; A1190-K1194 PolarHBondContact O-N 3.45Å; A1190-K1194 VanDerWaalsContact O-N 3.17Å
1191N92.7Very high90.1Very high32 Ų3254 Ų5417%0.17128%0.275CS..Hα-helixtrans-71.2-46.8174-169.350000111.1E1186 S1188 C1193 K1194 L1195E1186-N1191 PolarHBondContact O-ND2 2.94Å; S1188-N1191 WeakPolarHBondContact O-CA 3.41Å; S1188-N1191 PolarHBondContact O-N 3.29Å; S1188-N1191 WeakPolarHBondContact OG-CB 3.26Å; S1188-N1191 PolarHBondContact OG-N 2.93Å; N1191-C1193 PolarHBondContact O-N 3.12Å; N1191-K1194 WeakPolarHBondContact O-CA 2.84Å; N1191-K1194 WeakPolarHBondContact O-CB 3.16Å; N1191-K1194 PolarHBondContact O-N 3.01Å; N1191-K1194 VanDerWaalsContact O-N 3.07Å; N1191-L1195 WeakPolarHBondContact O-CG 3.34Å; N1191-L1195 PolarHBondContact O-N 3.17Å
1192L93.2Very high90.4Very high0 Ų050.8 Ų50.80%026%0.258CS..Hα-helixtrans-60-43.6178.4-61.2179000112.1L1159 I1187 S1188 K1194 L1195 G1196 A1257 V1260 E1261 L1285L1159-L1192 HydrophobicContact CD2-CD1 3.77Å; L1159-L1192 HydrophobicContact CD2-CD2 3.97Å; L1159-L1192 HydrophobicContact CD2-CG 4.48Å; I1187-L1192 WeakPolarHBondContact O-CD1 3.46Å; S1188-L1192 PolarHBondContact O-N 3.42Å; L1192-K1194 PolarHBondContact O-N 2.85Å; L1192-L1195 PolarHBondContact O-N 3.42Å; L1192-G1196 PolarHBondContact O-N 3.19Å; L1192-A1257 HydrophobicContact CB-CB 3.74Å; L1192-A1257 HydrophobicContact CD1-CB 4.4Å; L1192-V1260 HydrophobicContact CD2-CG1 4.34Å; L1192-E1261 HydrophobicContact CD1-CG 3.8Å; L1192-E1261 WeakPolarHBondContact CD1-OE1 3.47Å; L1192-L1285 HydrophobicContact CD2-CD2 4.07Å
1193C91.3Very high90.3Very high6 Ų649.3 Ų49.34%0.04125%0.254CS..Hα-helixtrans-59-43.4172175.10000112.2N1189 N1191 L1195 G1196 K1197 D1253 V1256N1189-C1193 WeakPolarHBondContact O-CB 3.41Å; N1189-C1193 PolarHBondContact O-N 3.31Å; N1191-C1193 PolarHBondContact O-N 3.12Å; C1193-L1195 VanDerWaalsContact C-N 3.32Å; C1193-L1195 PolarHBondContact O-N 3.01Å; C1193-G1196 PolarHBondContact O-N 3.2Å; C1193-K1197 WeakPolarHBondContact O-CB 3.4Å; C1193-K1197 WeakPolarHBondContact O-CG 3.35Å; C1193-K1197 PolarHBondContact O-N 2.85Å; C1193-K1197 WeakPolarHBondContact SG-CE 3.37Å; C1193-D1253 HydrophobicContact CB-CB 4.31Å; C1193-D1253 WeakPolarHBondContact CB-O 3.38Å; C1193-D1253 PolarHBondContact SG-OD1 3.45Å; C1193-V1256 HydrophobicContact CB-CB 4.26Å
1194K93.4Very high90.2Very high144 Ų14448.8 Ų48.863%0.62625%0.253SS*.Hα-helixtrans-61.3-38.6175.5174.4-167.7171.3-163.20112A1190 N1191 L1192 R1198A1190-K1194 WeakPolarHBondContact O-CB 3.45Å; A1190-K1194 PolarHBondContact O-N 3.45Å; A1190-K1194 VanDerWaalsContact O-N 3.17Å; N1191-K1194 WeakPolarHBondContact O-CA 2.84Å; N1191-K1194 WeakPolarHBondContact O-CB 3.16Å; N1191-K1194 PolarHBondContact O-N 3.01Å; N1191-K1194 VanDerWaalsContact O-N 3.07Å; L1192-K1194 PolarHBondContact O-N 2.85Å; K1194-R1198 PolarHBondContact O-N 2.9Å; K1194-R1198 VanDerWaalsContact O-N 3.15Å
1195L93Very high90.2Very high14 Ų1441.8 Ų41.87%0.07323%0.227CC..Hα-helixtrans-68.9-45.8174.7-59.2-174.5000111.4N1191 L1192 C1193 K1197 R1198 I1199 L1283 L1285N1191-L1195 WeakPolarHBondContact O-CG 3.34Å; N1191-L1195 PolarHBondContact O-N 3.17Å; L1192-L1195 PolarHBondContact O-N 3.42Å; C1193-L1195 VanDerWaalsContact C-N 3.32Å; C1193-L1195 PolarHBondContact O-N 3.01Å; L1195-K1197 PolarHBondContact O-N 3.47Å; L1195-R1198 VanDerWaalsContact O-CB 3.24Å; L1195-R1198 WeakPolarHBondContact O-CB 3.27Å; L1195-R1198 PolarHBondContact O-N 3.24Å; L1195-I1199 PolarHBondContact O-N 2.97Å; L1195-L1283 WeakPolarHBondContact CD2-O 3.45Å; L1195-L1285 HydrophobicContact CD1-CD2 3.64Å; L1195-L1285 HydrophobicContact CD1-CG 3.74Å
1196G92Very high90.2Very high0 Ų039.3 Ų39.30%021%0.213CC..Hα-helixtrans-62.7-36.9176.200000113.8L1192 C1193 R1198 I1199 G1200 L1201L1192-G1196 PolarHBondContact O-N 3.19Å; C1193-G1196 PolarHBondContact O-N 3.2Å; G1196-R1198 VanDerWaalsContact C-N 3.35Å; G1196-I1199 WeakPolarHBondContact O-CG1 3.46Å; G1196-I1199 PolarHBondContact O-N 3.29Å; G1196-G1200 PolarHBondContact O-N 3.34Å; G1196-L1201 PolarHBondContact O-N 2.95Å; G1196-L1201 VanDerWaalsContact O-N 3.11Å
1197K90.7Very high90Very high67 Ų6738.3 Ų38.329%0.29121%0.21SC..Hα-helixtrans-62.8-38170.3-80.1179.3-178.1-177.60111.9E641 C1193 L1195 I1199 G1200 C1202 D1253E641-K1197 IonicContact OE2-NZ 2.62Å; E641-K1197 PolarHBondContact OE2-NZ 2.87Å; C1193-K1197 WeakPolarHBondContact O-CB 3.4Å; C1193-K1197 WeakPolarHBondContact O-CG 3.35Å; C1193-K1197 PolarHBondContact O-N 2.85Å; C1193-K1197 WeakPolarHBondContact SG-CE 3.37Å; L1195-K1197 PolarHBondContact O-N 3.47Å; K1197-I1199 VanDerWaalsContact C-N 3.31Å; K1197-I1199 PolarHBondContact O-N 3.47Å; K1197-G1200 PolarHBondContact O-N 3.39Å; K1197-C1202 WeakPolarHBondContact CG-SG 3.33Å; K1197-D1253 WeakPolarHBondContact CE-OD1 3.34Å; K1197-D1253 IonicContact NZ-OD1 3.68Å; K1197-D1253 PolarHBondContact NZ-OD1 2.94Å
1198R90.4Very high89.5Confident138 Ų13839.7 Ų39.752%0.52122%0.216SC..Hα-helixtrans-61.5-37178.1-163.4-168.278.9-148.23.9112.7K1194 L1195 G1196 W1282 L1283K1194-R1198 PolarHBondContact O-N 2.9Å; K1194-R1198 VanDerWaalsContact O-N 3.15Å; L1195-R1198 VanDerWaalsContact O-CB 3.24Å; L1195-R1198 WeakPolarHBondContact O-CB 3.27Å; L1195-R1198 PolarHBondContact O-N 3.24Å; G1196-R1198 VanDerWaalsContact C-N 3.35Å; R1198-W1282 PolarHBondContact NH2-O 3.36Å; R1198-L1283 PolarHBondContact NH1-O 3.41Å; R1198-L1283 PolarHBondContact NH2-O 2.88Å
1199I89.6Confident89.1Confident29 Ų2941.6 Ų41.615%0.14922%0.221CC..THydrogen-bonded Turntrans-95.79.5-179.861.4158.4000113.6L1195 G1196 K1197 L1201 W1282 L1283L1195-I1199 PolarHBondContact O-N 2.97Å; G1196-I1199 WeakPolarHBondContact O-CG1 3.46Å; G1196-I1199 PolarHBondContact O-N 3.29Å; K1197-I1199 VanDerWaalsContact C-N 3.31Å; K1197-I1199 PolarHBondContact O-N 3.47Å; I1199-L1201 HydrophobicContact CD1-CD1 3.78Å; I1199-L1201 HydrophobicContact CD1-CD2 4.39Å; I1199-L1201 HydrophobicContact CD1-CG 3.77Å; I1199-L1201 HydrophobicContact CG1-CD1 4.22Å; I1199-L1201 HydrophobicContact CG1-CG 3.97Å; I1199-L1201 PolarHBondContact O-N 3.41Å; I1199-W1282 HydrophobicContact CB-CH2 4.19Å; I1199-W1282 HydrophobicContact CD1-CH2 4.34Å; I1199-W1282 HydrophobicContact CD1-CZ3 4.27Å; I1199-W1282 HydrophobicContact CG2-CH2 3.55Å; I1199-W1282 HydrophobicContact CG2-CZ2 4.08Å; I1199-W1282 HydrophobicContact CG2-CZ3 4.05Å; I1199-L1283 HydrophobicContact CD1-CD2 3.74Å
1200G87.9Confident88.5Confident36 Ų3639 Ų3937%0.37121%0.206SC..THydrogen-bonded Turntrans78.19.9171.700000116.6G1196 K1197 C1202 G1203G1196-G1200 PolarHBondContact O-N 3.34Å; K1197-G1200 PolarHBondContact O-N 3.39Å; G1200-C1202 PolarHBondContact O-N 3Å; G1200-G1203 PolarHBondContact O-N 2.71Å; G1200-G1203 VanDerWaalsContact O-N 3.09Å
1201L90.3Very high88Confident0 Ų040 Ų400%020%0.195CC..G310 helixtrans-54.5-29.7-176.6-76.3175.4000113.7L932 L1137 G1196 I1199 G1203 M1204 I1205 V1260 L1263L932-L1201 HydrophobicContact CD1-CD2 4.42Å; L932-L1201 HydrophobicContact CD2-CD2 3.81Å; L1137-L1201 HydrophobicContact CD2-CD2 3.75Å; G1196-L1201 PolarHBondContact O-N 2.95Å; G1196-L1201 VanDerWaalsContact O-N 3.11Å; I1199-L1201 HydrophobicContact CD1-CD1 3.78Å; I1199-L1201 HydrophobicContact CD1-CD2 4.39Å; I1199-L1201 HydrophobicContact CD1-CG 3.77Å; I1199-L1201 HydrophobicContact CG1-CD1 4.22Å; I1199-L1201 HydrophobicContact CG1-CG 3.97Å; I1199-L1201 PolarHBondContact O-N 3.41Å; L1201-G1203 PolarHBondContact O-N 3.11Å; L1201-G1203 VanDerWaalsContact O-N 3.08Å; L1201-M1204 HydrophobicContact CD2-SD 4.41Å; L1201-M1204 WeakPolarHBondContact O-CA 3Å; L1201-M1204 PolarHBondContact O-N 3.11Å; L1201-I1205 HydrophobicContact CB-CD1 4.2Å; L1201-I1205 HydrophobicContact CB-CG1 4.47Å; L1201-I1205 WeakPolarHBondContact O-CG1 3.34Å; L1201-I1205 PolarHBondContact O-N 3.48Å; L1201-V1260 HydrophobicContact CD1-CG2 3.63Å; L1201-L1263 HydrophobicContact CD1-CD1 3.79Å; L1201-L1263 HydrophobicContact CD2-CD1 3.81Å; L1201-L1263 HydrophobicContact CG-CD1 4.46Å
1202C88.4Confident87Confident5 Ų538.6 Ų38.63%0.03419%0.188CC..G310 helixtrans-60.1-21.5-179.5-55.40000114F643 K1197 G1200 H1249 V1256F643-C1202 HydrophobicContact CB-CB 4.23Å; F643-C1202 WeakPolarHBondContact CB-O 3.41Å; F643-C1202 HydrophobicContact CD1-CB 3.47Å; F643-C1202 VanDerWaalsContact CD1-CB 3.47Å; F643-C1202 HydrophobicContact CD2-CB 3.8Å; F643-C1202 HydrophobicContact CE1-CB 3.69Å; F643-C1202 HydrophobicContact CE2-CB 3.99Å; F643-C1202 HydrophobicContact CG-CB 3.53Å; F643-C1202 HydrophobicContact CZ-CB 3.96Å; K1197-C1202 WeakPolarHBondContact CG-SG 3.33Å; G1200-C1202 PolarHBondContact O-N 3Å; C1202-H1249 PolarHBondContact O-NE2 3.47Å; C1202-V1256 VanDerWaalsContact SG-CG2 3.51Å
1203G86.2Confident86Confident14 Ų1441 Ų4114%0.14420%0.203CC..G310 helixtrans-87.7-15.2170.700000114.4K644 K646 G1200 L1201K644-G1203 WeakPolarHBondContact O-CA 3.25Å; K646-G1203 WeakPolarHBondContact CB-O 3.29Å; K646-G1203 PolarHBondContact N-O 3.31Å; G1200-G1203 PolarHBondContact O-N 2.71Å; G1200-G1203 VanDerWaalsContact O-N 3.09Å; L1201-G1203 PolarHBondContact O-N 3.11Å; L1201-G1203 VanDerWaalsContact O-N 3.08Å
1204M89.4Confident85.2Confident28 Ų2844.5 Ų44.514%0.13822%0.224CC..THydrogen-bonded Turntrans-103.6-26.8-170.4-56-178.8-17500113.9K646 V928 L932 L1137 L1201K646-M1204 HydrophobicContact CB-CG 4.04Å; K646-M1204 HydrophobicContact CG-CE 4.38Å; K646-M1204 HydrophobicContact CG-CG 4.08Å; V928-M1204 HydrophobicContact CG1-CB 3.8Å; V928-M1204 HydrophobicContact CG1-CG 3.72Å; V928-M1204 HydrophobicContact CG1-SD 4.24Å; L932-M1204 HydrophobicContact CB-SD 4.04Å; L932-M1204 HydrophobicContact CD1-SD 4.05Å; L932-M1204 HydrophobicContact CD2-SD 4.07Å; L932-M1204 HydrophobicContact CG-SD 4.27Å; L1137-M1204 HydrophobicContact CD2-CB 3.95Å; L1201-M1204 HydrophobicContact CD2-SD 4.41Å; L1201-M1204 WeakPolarHBondContact O-CA 3Å; L1201-M1204 PolarHBondContact O-N 3.11Å
1205I89Confident84.5Confident1 Ų138.4 Ų38.41%0.00520%0.198CC..  trans-66.2132.8-178.2-65.2160.8000110.9L1137 C1139 M1148 L1201 V1207 H1249 V1251 V1256 C1259L1137-I1205 HydrophobicContact CD2-CG1 4.32Å; L1137-I1205 CarbonylContact O-C 3.43Å; L1137-I1205 WeakPolarHBondContact O-CA 3.3Å; L1137-I1205 WeakPolarHBondContact O-CG2 3.28Å; C1139-I1205 VanDerWaalsContact SG-CG2 3.54Å; M1148-I1205 HydrophobicContact CE-CG2 4.3Å; L1201-I1205 HydrophobicContact CB-CD1 4.2Å; L1201-I1205 HydrophobicContact CB-CG1 4.47Å; L1201-I1205 WeakPolarHBondContact O-CG1 3.34Å; L1201-I1205 PolarHBondContact O-N 3.48Å; I1205-V1207 HydrophobicContact CB-CG2 4.43Å; I1205-V1207 HydrophobicContact CG2-CG2 3.66Å; I1205-V1207 PolarHBondContact O-N 3.04Å; I1205-H1249 PolarHBondContact O-CE1 2.95Å; I1205-V1251 HydrophobicContact CD1-CG1 4.42Å; I1205-V1256 HydrophobicContact CD1-CG2 4.43Å; I1205-C1259 HydrophobicContact CD1-CB 3.77Å; I1205-C1259 HydrophobicContact CG1-CB 4.06Å
1206I87.2Confident83.8Confident51 Ų5139 Ų3926%0.26220%0.199SC..BIsolated β-bridgetrans-91.698.4175.9-53.4179.8000108.6L1134 L1137 C1139 A1142L1134-I1206 HydrophobicContact CD1-CD1 3.73Å; L1137-I1206 PolarHBondContact O-N 3.35Å; C1139-I1206 WeakPolarHBondContact CB-O 3.5Å; C1139-I1206 PolarHBondContact N-O 3.06Å; A1142-I1206 HydrophobicContact CB-CG2 3.87Å
1207V85.2Confident83.3Confident23 Ų2339.9 Ų39.914%0.13920%0.204CC..  trans-93-27.6-175.9-175.60000113.4S1141 I1205 V1251S1141-V1207 CarbonylContact C-O 3.56Å; S1141-V1207 VanDerWaalsContact C-O 3.28Å; S1141-V1207 VanDerWaalsContact CB-O 3.3Å; S1141-V1207 WeakPolarHBondContact CB-O 3.38Å; S1141-V1207 PolarHBondContact OG-O 3.32Å; I1205-V1207 HydrophobicContact CB-CG2 4.43Å; I1205-V1207 HydrophobicContact CG2-CG2 3.66Å; I1205-V1207 PolarHBondContact O-N 3.04Å; V1207-V1251 HydrophobicContact CG2-CG1 4.25Å; V1207-V1251 HydrophobicContact CG2-CG2 4.03Å
1208Q82.6Confident82.8Confident56 Ų5636.7 Ų36.726%0.26219%0.19SC..SBendtrans-117.6147.5-168.9-63.9-175.6-11.800112.6F1210 N1215Q1208-F1210 PolarHBondContact O-N 2.96Å; Q1208-N1215 PolarHBondContact OE1-ND2 3.38Å
1209E80.3Confident82.6Confident78 Ų7830.1 Ų30.136%0.36417%0.166SC..  trans-54.9132.3169.8-172.5-167.815500111.4S1141 A1142 K1211 N1215S1141-E1209 PolarHBondContact O-N 2.89Å; A1142-E1209 WeakPolarHBondContact O-CA 3.45Å; E1209-K1211 PolarHBondContact O-N 3.35Å; E1209-K1211 WeakPolarHBondContact OE1-CE 3.44Å; E1209-K1211 IonicContact OE1-NZ 3.73Å; E1209-K1211 PolarHBondContact OE1-NZ 2.76Å; E1209-K1211 WeakPolarHBondContact OE2-CE 3.48Å; E1209-K1211 IonicContact OE2-NZ 3.31Å; E1209-K1211 PolarHBondContact OE2-NZ 3.27Å; E1209-N1215 PolarHBondContact O-ND2 3.19Å
1210F77.9Confident82.4Confident19 Ų1928.8 Ų28.88%0.08316%0.159CC..  trans-68.3105.1-177.6-173.8-128.4000110.9Y886 P919 E920 L923 Q1208 P1212 W1216Y886-F1210 WeakPolarHBondContact O-CE1 3.31Å; P919-F1210 HydrophobicContact CB-CZ 4.47Å; E920-F1210 HydrophobicContact CB-CE1 4.43Å; L923-F1210 HydrophobicContact CB-CE1 4.46Å; L923-F1210 HydrophobicContact CB-CE2 4.19Å; L923-F1210 HydrophobicContact CB-CZ 3.96Å; L923-F1210 HydrophobicContact CD1-CD2 4.15Å; L923-F1210 HydrophobicContact CD1-CE2 3.85Å; L923-F1210 HydrophobicContact CD1-CZ 4.48Å; L923-F1210 HydrophobicContact CD2-CB 4.23Å; L923-F1210 HydrophobicContact CD2-CD1 3.93Å; L923-F1210 HydrophobicContact CD2-CD2 3.61Å; L923-F1210 HydrophobicContact CD2-CE1 4.09Å; L923-F1210 HydrophobicContact CD2-CE2 3.77Å; L923-F1210 HydrophobicContact CD2-CG 3.69Å; L923-F1210 HydrophobicContact CD2-CZ 4Å; L923-F1210 HydrophobicContact CG-CD2 4.4Å; L923-F1210 HydrophobicContact CG-CE2 4.15Å; L923-F1210 HydrophobicContact CG-CZ 4.37Å; Q1208-F1210 PolarHBondContact O-N 2.96Å; F1210-P1212 HydrophobicContact CD1-CG 3.62Å; F1210-P1212 HydrophobicContact CD2-CG 3.93Å; F1210-P1212 HydrophobicContact CE1-CB 4.49Å; F1210-P1212 HydrophobicContact CE1-CG 3.34Å; F1210-P1212 HydrophobicContact CE2-CB 4.35Å; F1210-P1212 HydrophobicContact CE2-CG 3.67Å; F1210-P1212 HydrophobicContact CG-CG 3.93Å; F1210-P1212 HydrophobicContact CZ-CB 4.16Å; F1210-P1212 HydrophobicContact CZ-CG 3.38Å; F1210-W1216 HydrophobicContact CE2-CB 3.83Å; F1210-W1216 AromaticContact CE2-CD1 3.75Å; F1210-W1216 HydrophobicContact CE2-CD2 4.25Å; F1210-W1216 AromaticContact CE2-CG 3.68Å; F1210-W1216 HydrophobicContact CE2-CG 3.68Å; F1210-W1216 HydrophobicContact CZ-CD2 4.32Å; F1210-W1216 HydrophobicContact CZ-CG 4.23Å
1211K76.9Confident82.4Confident98 Ų9827 Ų2743%0.42614%0.141SC..  trans-125.282.9-179-81168.2168.9152.30108.2E1209 T1213 V1214 N1215E1209-K1211 PolarHBondContact O-N 3.35Å; E1209-K1211 WeakPolarHBondContact OE1-CE 3.44Å; E1209-K1211 IonicContact OE1-NZ 3.73Å; E1209-K1211 PolarHBondContact OE1-NZ 2.76Å; E1209-K1211 WeakPolarHBondContact OE2-CE 3.48Å; E1209-K1211 IonicContact OE2-NZ 3.31Å; E1209-K1211 PolarHBondContact OE2-NZ 3.27Å; K1211-T1213 VanDerWaalsContact C-N 3.27Å; K1211-T1213 PolarHBondContact O-N 3.22Å; K1211-V1214 HydrophobicContact CB-CB 4.19Å; K1211-V1214 HydrophobicContact CB-CG2 4.43Å; K1211-V1214 WeakPolarHBondContact O-CA 3.45Å; K1211-V1214 WeakPolarHBondContact O-CB 3.48Å; K1211-V1214 PolarHBondContact O-N 2.84Å; K1211-N1215 WeakPolarHBondContact CA-OD1 3.24Å; K1211-N1215 PolarHBondContact N-OD1 3.19Å; K1211-N1215 PolarHBondContact O-N 2.99Å; K1211-N1215 PolarHBondContact O-OD1 2.91Å; K1211-N1215 VanDerWaalsContact O-OD1 3.05Å
1212P72.5Confident82.1Confident3 Ų328.6 Ų28.62%0.01915%0.15CC..Hα-helixtrans-66.2-22-157.5-3243.8000116F750 F1210 V1214 W1216F750-P1212 VanDerWaalsContact CE1-O 3.23Å; F750-P1212 WeakPolarHBondContact CE1-O 3.31Å; F750-P1212 HydrophobicContact CE2-CB 4.37Å; F750-P1212 HydrophobicContact CZ-CB 3.64Å; F750-P1212 WeakPolarHBondContact CZ-O 3.24Å; F1210-P1212 HydrophobicContact CD1-CG 3.62Å; F1210-P1212 HydrophobicContact CD2-CG 3.93Å; F1210-P1212 HydrophobicContact CE1-CB 4.49Å; F1210-P1212 HydrophobicContact CE1-CG 3.34Å; F1210-P1212 HydrophobicContact CE2-CB 4.35Å; F1210-P1212 HydrophobicContact CE2-CG 3.67Å; F1210-P1212 HydrophobicContact CG-CG 3.93Å; F1210-P1212 HydrophobicContact CZ-CB 4.16Å; F1210-P1212 HydrophobicContact CZ-CG 3.38Å; P1212-V1214 VanDerWaalsContact C-N 3.25Å; P1212-V1214 PolarHBondContact O-N 3Å; P1212-W1216 HydrophobicContact CB-CB 4.1Å; P1212-W1216 HydrophobicContact CB-CD2 4.41Å; P1212-W1216 HydrophobicContact CB-CE3 3.89Å
1213T72Confident81.6Confident51 Ų5128.7 Ų28.731%0.31315%0.152SC..Hα-helixtrans-77.4-5.6171.352.30000114.3F750 Y886 K1211F750-T1213 HydrophobicContact CE1-CG2 4.46Å; Y886-T1213 HydrophobicContact CE2-CG2 3.99Å; K1211-T1213 VanDerWaalsContact C-N 3.27Å; K1211-T1213 PolarHBondContact O-N 3.22Å
1214V74.5Confident80.9Confident80 Ų8029.4 Ų29.449%0.48515%0.154SC..Hα-helixtrans-125-40.4-172-1750000112.4K1211 P1212 I1246K1211-V1214 HydrophobicContact CB-CB 4.19Å; K1211-V1214 HydrophobicContact CB-CG2 4.43Å; K1211-V1214 WeakPolarHBondContact O-CA 3.45Å; K1211-V1214 WeakPolarHBondContact O-CB 3.48Å; K1211-V1214 PolarHBondContact O-N 2.84Å; P1212-V1214 VanDerWaalsContact C-N 3.25Å; P1212-V1214 PolarHBondContact O-N 3Å; V1214-I1246 WeakPolarHBondContact O-CG1 3.35Å
1215N77.9Confident79.5Confident16 Ų1637.1 Ų37.19%0.08619%0.19CC..Hα-helixtrans-136.326.6-171.971.7-1.5000115.6K645 Q1208 E1209 K1211 L1245K645-N1215 PolarHBondContact NZ-O 3.16Å; Q1208-N1215 PolarHBondContact OE1-ND2 3.38Å; E1209-N1215 PolarHBondContact O-ND2 3.19Å; K1211-N1215 WeakPolarHBondContact CA-OD1 3.24Å; K1211-N1215 PolarHBondContact N-OD1 3.19Å; K1211-N1215 PolarHBondContact O-N 2.99Å; K1211-N1215 PolarHBondContact O-OD1 2.91Å; K1211-N1215 VanDerWaalsContact O-OD1 3.05Å; N1215-L1245 VanDerWaalsContact CA-O 3.26Å; N1215-L1245 WeakPolarHBondContact CA-O 3.39Å; N1215-L1245 HydrophobicContact CB-CB 4.35Å; N1215-L1245 WeakPolarHBondContact CB-O 3.48Å
1216W79Confident77.9Confident25 Ų2542 Ų4210%0.09522%0.216CC..  trans-133.8141.7172.4-177.965.4000110.9F744 F750 P919 V922 F1210 P1212 P1218F744-W1216 AromaticContact CE1-CH2 3.95Å; F744-W1216 HydrophobicContact CE1-CH2 3.95Å; F744-W1216 HydrophobicContact CE1-CZ3 4.05Å; F744-W1216 HydrophobicContact CZ-CH2 4.44Å; F750-W1216 HydrophobicContact CE1-CE3 4.22Å; F750-W1216 HydrophobicContact CE1-CZ3 4.47Å; F750-W1216 HydrophobicContact CE2-CE3 4.34Å; F750-W1216 HydrophobicContact CE2-CZ3 4.01Å; F750-W1216 AromaticContact CZ-CE3 3.66Å; F750-W1216 HydrophobicContact CZ-CE3 3.66Å; F750-W1216 AromaticContact CZ-CZ3 3.78Å; F750-W1216 HydrophobicContact CZ-CZ3 3.78Å; P919-W1216 HydrophobicContact CB-CE3 4.47Å; P919-W1216 HydrophobicContact CB-CH2 3.86Å; P919-W1216 HydrophobicContact CB-CZ3 3.83Å; P919-W1216 HydrophobicContact CG-CH2 4.38Å; P919-W1216 HydrophobicContact CG-CZ3 4.29Å; V922-W1216 HydrophobicContact CB-CZ2 4.15Å; V922-W1216 HydrophobicContact CG1-CZ2 3.92Å; F1210-W1216 HydrophobicContact CE2-CB 3.83Å; F1210-W1216 AromaticContact CE2-CD1 3.75Å; F1210-W1216 HydrophobicContact CE2-CD2 4.25Å; F1210-W1216 AromaticContact CE2-CG 3.68Å; F1210-W1216 HydrophobicContact CE2-CG 3.68Å; F1210-W1216 HydrophobicContact CZ-CD2 4.32Å; F1210-W1216 HydrophobicContact CZ-CG 4.23Å; P1212-W1216 HydrophobicContact CB-CB 4.1Å; P1212-W1216 HydrophobicContact CB-CD2 4.41Å; P1212-W1216 HydrophobicContact CB-CE3 3.89Å; W1216-P1218 HydrophobicContact CE3-CB 4.03Å; W1216-P1218 HydrophobicContact CE3-CG 3.8Å; W1216-P1218 HydrophobicContact CH2-CB 4.01Å; W1216-P1218 HydrophobicContact CZ3-CB 3.57Å; W1216-P1218 HydrophobicContact CZ3-CG 3.77Å; W1216-P1218 WeakPolarHBondContact O-CD 3.27Å
1217L81.2Confident75.7Confident19 Ų1948.6 Ų48.610%0.09925%0.245CC..  trans-98.3112.2173.4-17663.3000108.6V755 V764 F1221 I1246 E1247V755-L1217 HydrophobicContact CG1-CD1 3.81Å; V764-L1217 HydrophobicContact CG2-CD2 4.19Å; L1217-F1221 HydrophobicContact CD1-CB 4.11Å; L1217-I1246 HydrophobicContact CB-CG2 3.73Å; L1217-I1246 HydrophobicContact CD1-CG2 3.89Å; L1217-I1246 HydrophobicContact CG-CG2 4.4Å; L1217-E1247 HydrophobicContact CD2-CG 4.34Å
1218P81.1Confident73.4Confident0 Ų055.2 Ų55.20%028%0.28CS..  trans-72154.4178.2-11.225.4000112F744 F750 W1216 C1220 F1221F744-P1218 HydrophobicContact CD1-CB 3.86Å; F744-P1218 HydrophobicContact CE1-CB 3.83Å; F750-P1218 HydrophobicContact CD1-CG 3.46Å; F750-P1218 VanDerWaalsContact CD1-CG 3.46Å; F750-P1218 HydrophobicContact CE1-CG 3.4Å; F750-P1218 VanDerWaalsContact CE1-CG 3.4Å; F750-P1218 HydrophobicContact CG-CG 4.13Å; F750-P1218 HydrophobicContact CZ-CG 4.03Å; W1216-P1218 HydrophobicContact CE3-CB 4.03Å; W1216-P1218 HydrophobicContact CE3-CG 3.8Å; W1216-P1218 HydrophobicContact CH2-CB 4.01Å; W1216-P1218 HydrophobicContact CZ3-CB 3.57Å; W1216-P1218 HydrophobicContact CZ3-CG 3.77Å; W1216-P1218 WeakPolarHBondContact O-CD 3.27Å; P1218-C1220 PolarHBondContact O-N 2.95Å; P1218-F1221 HydrophobicContact CB-CD2 3.6Å; P1218-F1221 HydrophobicContact CB-CE2 3.94Å; P1218-F1221 HydrophobicContact CB-CG 4.18Å; P1218-F1221 HydrophobicContact CG-CD2 4.04Å; P1218-F1221 HydrophobicContact CG-CE2 4.36Å; P1218-F1221 HydrophobicContact CG-CG 4.17Å; P1218-F1221 WeakPolarHBondContact O-CB 3.42Å; P1218-F1221 PolarHBondContact O-N 3.35Å; P1218-F1221 VanDerWaalsContact O-N 3.11Å
1219P84.9Confident71.2Confident1 Ų159.6 Ų59.61%0.00631%0.305CS..THydrogen-bonded Turntrans-60135.3176.923.7-34.2000112.8H740 F744 V764 F766 F1221H740-P1219 WeakPolarHBondContact CE1-CB 3.37Å; H740-P1219 WeakPolarHBondContact CE1-CG 3.42Å; H740-P1219 WeakPolarHBondContact NE2-CB 3.49Å; H740-P1219 PolarHBondContact NE2-O 2.99Å; F744-P1219 HydrophobicContact CE1-CG 4.43Å; F744-P1219 HydrophobicContact CE2-CG 4.03Å; F744-P1219 HydrophobicContact CZ-CG 3.73Å; V764-P1219 HydrophobicContact CG1-CB 4.49Å; V764-P1219 VanDerWaalsContact O-CA 3.31Å; V764-P1219 WeakPolarHBondContact O-CA 3.26Å; F766-P1219 HydrophobicContact CD1-CB 4.08Å; F766-P1219 HydrophobicContact CD2-CB 4.17Å; F766-P1219 HydrophobicContact CE1-CB 3.77Å; F766-P1219 HydrophobicContact CE1-CG 4.33Å; F766-P1219 HydrophobicContact CE2-CB 3.82Å; F766-P1219 HydrophobicContact CE2-CG 3.86Å; F766-P1219 HydrophobicContact CG-CB 4.28Å; F766-P1219 HydrophobicContact CZ-CB 3.61Å; F766-P1219 HydrophobicContact CZ-CG 3.7Å; P1219-F1221 VanDerWaalsContact C-N 3.29Å; P1219-F1221 WeakPolarHBondContact O-CD2 3.41Å
1220C86.8Confident68.9Low0 Ų062 Ų620%033%0.325CS..THydrogen-bonded Turntrans66.617.6-172.3-480000115.9H740 F757 D758 F759 S762 V764 P1218H740-C1220 VanDerWaalsContact NE2-CB 3.25Å; H740-C1220 WeakPolarHBondContact NE2-CB 3.14Å; H740-C1220 PolarHBondContact NE2-N 2.96Å; H740-C1220 PolarHBondContact NE2-SG 3.26Å; F757-C1220 HydrophobicContact CE2-CB 3.82Å; F757-C1220 HydrophobicContact CZ-CB 3.95Å; D758-C1220 CarbonylContact C-O 3.5Å; D758-C1220 PolarHBondContact N-O 3.35Å; F759-C1220 HydrophobicContact CD2-CB 4.4Å; S762-C1220 WeakPolarHBondContact OG-CA 3.18Å; S762-C1220 PolarHBondContact OG-N 3.28Å; V764-C1220 PolarHBondContact O-N 3.15Å; V764-C1220 VanDerWaalsContact O-N 3.09Å; P1218-C1220 PolarHBondContact O-N 2.95Å
1221F86.6Confident66.7Low0 Ų064.4 Ų64.40%036%0.355CS..EExtended strand (participates in β ladder)trans-105.8164167.1-70.6-112.3000111.4F744 L745 F750 V755 T756 F757 S762 L1217 P1218 P1219F744-F1221 HydrophobicContact CB-CE2 3.59Å; F744-F1221 HydrophobicContact CB-CZ 3.74Å; F744-F1221 HydrophobicContact CD1-CE2 4.2Å; F744-F1221 AromaticContact CG-CE2 3.96Å; F744-F1221 HydrophobicContact CG-CE2 3.96Å; L745-F1221 HydrophobicContact CD2-CE1 3.78Å; L745-F1221 HydrophobicContact CD2-CZ 3.73Å; L745-F1221 HydrophobicContact CG-CZ 4.35Å; F750-F1221 HydrophobicContact CB-CE1 4.49Å; F750-F1221 HydrophobicContact CB-CZ 4.1Å; F750-F1221 WeakPolarHBondContact O-CE1 3.44Å; V755-F1221 HydrophobicContact CB-CD1 4.16Å; T756-F1221 WeakPolarHBondContact O-CA 3.38Å; F757-F1221 HydrophobicContact CB-CD1 4.2Å; F757-F1221 HydrophobicContact CB-CE1 3.99Å; F757-F1221 HydrophobicContact CB-CZ 4.2Å; F757-F1221 AromaticContact CD2-CD2 3.97Å; F757-F1221 HydrophobicContact CD2-CD2 3.97Å; F757-F1221 HydrophobicContact CD2-CE1 4.43Å; F757-F1221 AromaticContact CD2-CE2 3.59Å; F757-F1221 HydrophobicContact CD2-CE2 3.59Å; F757-F1221 AromaticContact CD2-CZ 3.84Å; F757-F1221 HydrophobicContact CD2-CZ 3.84Å; F757-F1221 HydrophobicContact CE2-CE2 4.29Å; S762-F1221 VanDerWaalsContact CB-O 3.29Å; S762-F1221 WeakPolarHBondContact CB-O 3.37Å; S762-F1221 PolarHBondContact OG-N 2.97Å; S762-F1221 PolarHBondContact OG-O 3.48Å; L1217-F1221 HydrophobicContact CD1-CB 4.11Å; P1218-F1221 HydrophobicContact CB-CD2 3.6Å; P1218-F1221 HydrophobicContact CB-CE2 3.94Å; P1218-F1221 HydrophobicContact CB-CG 4.18Å; P1218-F1221 HydrophobicContact CG-CD2 4.04Å; P1218-F1221 HydrophobicContact CG-CE2 4.36Å; P1218-F1221 HydrophobicContact CG-CG 4.17Å; P1218-F1221 WeakPolarHBondContact O-CB 3.42Å; P1218-F1221 PolarHBondContact O-N 3.35Å; P1218-F1221 VanDerWaalsContact O-N 3.11Å; P1219-F1221 VanDerWaalsContact C-N 3.29Å; P1219-F1221 WeakPolarHBondContact O-CD2 3.41Å
1222V85Confident64.5Low32 Ų3267.7 Ų67.719%0.19438%0.377CS..EExtended strand (participates in β ladder)trans-129140.9171.4179.20000107.5V755 T756 D758 H761 S1224V755-V1222 WeakPolarHBondContact CA-O 3.24Å; T756-V1222 PolarHBondContact N-O 3.37Å; T756-V1222 PolarHBondContact O-N 3.43Å; D758-V1222 HydrophobicContact CB-CB 4.45Å; D758-V1222 HydrophobicContact CB-CG2 3.91Å; H761-V1222 VanDerWaalsContact C-CG2 3.45Å; H761-V1222 HydrophobicContact CB-CG2 3.92Å; V1222-S1224 PolarHBondContact O-N 2.86Å
1223A78.1Confident62.5Low8 Ų874.2 Ų74.27%0.06641%0.412CS..EExtended strand (participates in β ladder)trans-71.4126.7172.900000109.5T754 V755 N1244 I1246 E1247T754-A1223 WeakPolarHBondContact O-CA 3.48Å; V755-A1223 HydrophobicContact CG1-CB 4.43Å; A1223-N1244 WeakPolarHBondContact CB-ND2 3.49Å; A1223-I1246 HydrophobicContact CB-CB 4.43Å; A1223-I1246 HydrophobicContact CB-CG2 4.13Å; A1223-E1247 HydrophobicContact CB-CG 4.09Å
1224S71Confident60.6Low28 Ų2879.2 Ų79.220%0.19644%0.436CS..  trans-72.6135.9-178.6-49.40000109.9T754 T756 V1222 L1226T754-S1224 PolarHBondContact O-N 3.37Å; T756-S1224 WeakPolarHBondContact CG2-OG 3.14Å; T756-S1224 PolarHBondContact N-OG 3.27Å; T756-S1224 PolarHBondContact OG1-OG 3.21Å; T756-S1224 VanDerWaalsContact OG1-OG 3.09Å; V1222-S1224 PolarHBondContact O-N 2.86Å; S1224-L1226 PolarHBondContact O-N 2.99Å; S1224-L1226 VanDerWaalsContact O-N 3.09Å
1225E59.1Low58.5Low191 Ų19181.5 Ų81.589%0.89345%0.446SS*.  trans-65.7110.6170.2-67.1-171.8154.300108.5E1227E1225-E1227 PolarHBondContact O-N 3.15Å
1226L55.5Low56.3Low104 Ų10485.2 Ų85.255%0.54547%0.473SS..  trans-66.8121.6163.9-69.8168.2000106.7S1224 D1228S1224-L1226 PolarHBondContact O-N 2.99Å; S1224-L1226 VanDerWaalsContact O-N 3.09Å; L1226-D1228 PolarHBondContact O-N 3.29Å
1227E42.7Very low54.3Low189 Ų18989 Ų8988%0.88351%0.51SS*.  trans-58.5126.7174.4-63.9-176.8138.800108.9E1225 D1229E1225-E1227 PolarHBondContact O-N 3.15Å; E1227-D1229 PolarHBondContact O-N 2.93Å
1228D37.2Very low52.1Low161 Ų16192.2 Ų92.286%0.86153%0.527SS*.  trans-68.768.8176.4-86.5-42.9000110.3L1226L1226-D1228 PolarHBondContact O-N 3.29Å
1229D34.3Very low50.2Low149 Ų14997.3 Ų97.380%0.79756%0.558SS**  trans-68.3137.8-179.5-163.19.9000111.1E1227 G1231E1227-D1229 PolarHBondContact O-N 2.93Å; D1229-G1231 PolarHBondContact O-N 3.33Å
1230T33.9Very low48.2Very low128 Ų128101.3 Ų101.379%0.78558%0.579SS**  trans-84.8107.5-14347.30000114.7
1231G31.4Very low46.1Very low69 Ų69108.2 Ų108.271%0.71161%0.609SS**  trans93.4139.3146.800000117.6D1229D1229-G1231 PolarHBondContact O-N 3.33Å
1232L30Very low44Very low167 Ų167115 Ų11587%0.87465%0.645SS**  trans-169.2167.1145.9-104.9164.8000110
1233D31Very low42.5Very low141 Ų141115.8 Ų115.875%0.75465%0.648SS**  trans-70.8150.3-161.6-55.9-81.2000116.9D1235D1233-D1235 VanDerWaalsContact C-N 3.27Å; D1233-D1235 PolarHBondContact O-N 2.69Å
1234D32.5Very low41.9Very low156 Ų156117.9 Ų117.983%0.83466%0.658SS**SBendtrans-74.457.3-178.5-174.827.8000113.5
1235D30Very low41.9Very low128 Ų128117.8 Ų117.868%0.68466%0.655SS**  trans-152.644.9179.4-150.3-0.8000115.9D1233D1233-D1235 VanDerWaalsContact C-N 3.27Å; D1233-D1235 PolarHBondContact O-N 2.69Å
1236S31.1Very low42.8Very low93 Ų93108.9 Ų108.965%0.6561%0.614SS**  trans-153.6159.5162.471.70000114.6D1238S1236-D1238 PolarHBondContact O-N 2.91Å; S1236-D1238 VanDerWaalsContact O-N 3.1Å
1237A36.4Very low43.7Very low105 Ų105105.6 Ų105.687%0.86860%0.596SS**SBendtrans-83.528.9-169.600000115
1238D34.8Very low45.5Very low87 Ų87102.4 Ų102.447%0.46558%0.576SS.*  trans-107.811.6-165.4-120.3-8.8000114.5S1236 D1240 K1241S1236-D1238 PolarHBondContact O-N 2.91Å; S1236-D1238 VanDerWaalsContact O-N 3.1Å; D1238-D1240 PolarHBondContact O-N 3.49Å; D1238-D1240 VanDerWaalsContact O-N 3.11Å; D1238-K1241 HydrophobicContact CB-CD 4.45Å; D1238-K1241 PolarHBondContact O-N 3.29Å; D1238-K1241 VanDerWaalsContact O-N 3.17Å; D1238-K1241 WeakPolarHBondContact OD1-CD 3.37Å; D1238-K1241 WeakPolarHBondContact OD1-CE 3.46Å; D1238-K1241 IonicContact OD1-NZ 2.7Å; D1238-K1241 PolarHBondContact OD1-NZ 2.81Å; D1238-K1241 IonicContact OD2-NZ 3.34Å; D1238-K1241 PolarHBondContact OD2-NZ 2.84Å
1239V41.8Very low47.7Very low106 Ų10695.2 Ų95.264%0.64254%0.537SS*.G310 helixtrans-56.2-29.5-174.3-178.80000113.6K1241V1239-K1241 PolarHBondContact O-N 3.44Å; V1239-K1241 VanDerWaalsContact O-N 3.11Å
1240D42.9Very low50Low86 Ų8689.3 Ų89.346%0.4651%0.506SS..G310 helixtrans-65-13.1-179.1-72.4-41.8000113.9D1238D1238-D1240 PolarHBondContact O-N 3.49Å; D1238-D1240 VanDerWaalsContact O-N 3.11Å
1241K43.6Very low52.3Low145 Ų14583.3 Ų83.363%0.6347%0.469SS*.G310 helixtrans-75.2-27.7-178.2-75.4172.7176.3162.70115.2D1238 V1239D1238-K1241 HydrophobicContact CB-CD 4.45Å; D1238-K1241 PolarHBondContact O-N 3.29Å; D1238-K1241 VanDerWaalsContact O-N 3.17Å; D1238-K1241 WeakPolarHBondContact OD1-CD 3.37Å; D1238-K1241 WeakPolarHBondContact OD1-CE 3.46Å; D1238-K1241 IonicContact OD1-NZ 2.7Å; D1238-K1241 PolarHBondContact OD1-NZ 2.81Å; D1238-K1241 IonicContact OD2-NZ 3.34Å; D1238-K1241 PolarHBondContact OD2-NZ 2.84Å; V1239-K1241 PolarHBondContact O-N 3.44Å; V1239-K1241 VanDerWaalsContact O-N 3.11Å
1242N42.3Very low54.9Low141 Ų14181.5 Ų81.575%0.75445%0.446SS*.SBendtrans-104.32.5-178.2-71.317.8000113
1243L53.1Low57.5Low49 Ų4975.6 Ų75.626%0.25742%0.415SS..SBendtrans-81.2129.7178.9-69176.8000111L642 L1245 V1250L642-L1243 HydrophobicContact CD1-CD1 4.18Å; L642-L1243 HydrophobicContact CD1-CD2 4.08Å; L642-L1243 HydrophobicContact CD2-CD2 4.02Å; L1243-L1245 HydrophobicContact CB-CD2 4.24Å; L1243-L1245 HydrophobicContact CB-CG 4.26Å; L1243-L1245 PolarHBondContact O-N 3.02Å; L1243-V1250 HydrophobicContact CD1-CG2 4.15Å
1244N65.4Low60.1Low53 Ų5373.1 Ų73.128%0.28340%0.398SS..  trans-71.278171.7-173.9-14.2000110.5A1223 I1246 R1248A1223-N1244 WeakPolarHBondContact CB-ND2 3.49Å; N1244-I1246 PolarHBondContact O-N 3.1Å; N1244-I1246 WeakPolarHBondContact OD1-CB 3.33Å; N1244-I1246 PolarHBondContact OD1-N 3.43Å; N1244-R1248 PolarHBondContact O-N 3.5Å
1245L71.7Confident62.8Low25 Ų2568.1 Ų68.113%0.13137%0.367CS..THydrogen-bonded Turntrans-71.62.2-179.9-68.6-179.1000113.7K645 N1215 L1243 R1248K645-L1245 PolarHBondContact NZ-O 2.94Å; N1215-L1245 VanDerWaalsContact CA-O 3.26Å; N1215-L1245 WeakPolarHBondContact CA-O 3.39Å; N1215-L1245 HydrophobicContact CB-CB 4.35Å; N1215-L1245 WeakPolarHBondContact CB-O 3.48Å; L1243-L1245 HydrophobicContact CB-CD2 4.24Å; L1243-L1245 HydrophobicContact CB-CG 4.26Å; L1243-L1245 PolarHBondContact O-N 3.02Å; L1245-R1248 CarbonylContact C-O 3.44Å; L1245-R1248 VanDerWaalsContact C-O 3.32Å; L1245-R1248 WeakPolarHBondContact CA-O 3.43Å; L1245-R1248 VanDerWaalsContact O-O 3.13Å
1246I76.3Confident65.8Low4 Ų462 Ų622%0.02133%0.334CS..THydrogen-bonded Turntrans-77.9-60.1178.3-69.1-177.9000109.6K645 T754 V755 V1214 L1217 A1223 N1244K645-I1246 PolarHBondContact NZ-O 2.69Å; T754-I1246 WeakPolarHBondContact OG1-CD1 3.34Å; V755-I1246 HydrophobicContact CB-CD1 4.46Å; V755-I1246 HydrophobicContact CG1-CD1 3.63Å; V755-I1246 HydrophobicContact CG1-CG2 3.92Å; V755-I1246 HydrophobicContact CG2-CD1 4.22Å; V1214-I1246 WeakPolarHBondContact O-CG1 3.35Å; L1217-I1246 HydrophobicContact CB-CG2 3.73Å; L1217-I1246 HydrophobicContact CD1-CG2 3.89Å; L1217-I1246 HydrophobicContact CG-CG2 4.4Å; A1223-I1246 HydrophobicContact CB-CB 4.43Å; A1223-I1246 HydrophobicContact CB-CG2 4.13Å; N1244-I1246 PolarHBondContact O-N 3.1Å; N1244-I1246 WeakPolarHBondContact OD1-CB 3.33Å; N1244-I1246 PolarHBondContact OD1-N 3.43Å
1247E75.9Confident68.7Low35 Ų3557.6 Ų57.616%0.16430%0.303CS..THydrogen-bonded Turntrans-81.3-25.2176.6-70.5-173-161.100113.9K644 K645 L1217 A1223K644-E1247 IonicContact NZ-OE2 3.73Å; K644-E1247 PolarHBondContact NZ-OE2 2.93Å; K645-E1247 WeakPolarHBondContact CB-O 3.15Å; K645-E1247 PolarHBondContact N-O 3.28Å; L1217-E1247 HydrophobicContact CD2-CG 4.34Å; A1223-E1247 HydrophobicContact CB-CG 4.09Å
1248R80.6Confident71.4Confident122 Ų12252.6 Ų52.646%0.4626%0.262SS..EExtended strand (participates in β ladder)trans-121.1161.7-170.1-53.4-176.1-170.8176.35.9111.3L642 F643 K645 N1244 L1245L642-R1248 HydrophobicContact CD2-CB 4Å; F643-R1248 CarbonylContact O-C 3.56Å; F643-R1248 VanDerWaalsContact O-CA 3.25Å; F643-R1248 WeakPolarHBondContact O-CA 3.37Å; F643-R1248 WeakPolarHBondContact O-CB 3.35Å; K645-R1248 WeakPolarHBondContact CE-O 3.2Å; N1244-R1248 PolarHBondContact O-N 3.5Å; L1245-R1248 CarbonylContact C-O 3.44Å; L1245-R1248 VanDerWaalsContact C-O 3.32Å; L1245-R1248 WeakPolarHBondContact CA-O 3.43Å; L1245-R1248 VanDerWaalsContact O-O 3.13Å
1249H82.5Confident74.2Confident11 Ų1148.4 Ų48.45%0.05124%0.24CC..EExtended strand (participates in β ladder)trans-144165.2168.653.6-157.4000111L642 F643 C1202 I1205L642-H1249 WeakPolarHBondContact CA-O 3.49Å; F643-H1249 PolarHBondContact N-O 3.1Å; F643-H1249 PolarHBondContact O-N 3.31Å; C1202-H1249 PolarHBondContact O-NE2 3.47Å; I1205-H1249 PolarHBondContact O-CE1 2.95Å
1250V82Confident76.8Confident25 Ų2543.4 Ų43.415%0.15221%0.21CC..EExtended strand (participates in β ladder)trans-101.5117.5178.31800000108.4R640 L642 L1243R640-V1250 HydrophobicContact CB-CG1 3.59Å; R640-V1250 HydrophobicContact CG-CG1 3.91Å; L642-V1250 HydrophobicContact CD1-CG2 3.8Å; L642-V1250 HydrophobicContact CG-CG2 4.15Å; L1243-V1250 HydrophobicContact CD1-CG2 4.15Å
1251V83.4Confident79.3Confident1 Ų140 Ų401%0.00619%0.191CC..EExtended strand (participates in β ladder)trans-115.6131.4175.8-164.10000108.1E641 F643 I1205 V1207 R1255 V1256E641-V1251 PolarHBondContact N-O 3.47Å; E641-V1251 PolarHBondContact O-N 3.22Å; F643-V1251 HydrophobicContact CD2-CB 3.81Å; F643-V1251 HydrophobicContact CD2-CG2 3.82Å; F643-V1251 HydrophobicContact CE2-CB 4.02Å; I1205-V1251 HydrophobicContact CD1-CG1 4.42Å; V1207-V1251 HydrophobicContact CG2-CG1 4.25Å; V1207-V1251 HydrophobicContact CG2-CG2 4.03Å; V1251-R1255 HydrophobicContact CG1-CB 4.33Å; V1251-V1256 HydrophobicContact CG1-CG2 3.73Å
1252S85.3Confident81.7Confident31 Ų3133 Ų3322%0.21716%0.161CC..EExtended strand (participates in β ladder)trans-86.9148.3172.962.60000110.5K1254 R1255 V1256S1252-K1254 PolarHBondContact O-N 3.47Å; S1252-K1254 VanDerWaalsContact O-N 3.08Å; S1252-R1255 PolarHBondContact O-N 2.85Å; S1252-V1256 PolarHBondContact O-N 3.44Å
1253D84.3Confident84.2Confident43 Ų4326.4 Ų26.423%0.2313%0.125CC..Hα-helixtrans-51.6-34.8177.8-66.2-41.9000113.1R639 C1193 K1197 V1256 A1257R639-D1253 WeakPolarHBondContact CB-OD2 2.99Å; C1193-D1253 HydrophobicContact CB-CB 4.31Å; C1193-D1253 WeakPolarHBondContact CB-O 3.38Å; C1193-D1253 PolarHBondContact SG-OD1 3.45Å; K1197-D1253 WeakPolarHBondContact CE-OD1 3.34Å; K1197-D1253 IonicContact NZ-OD1 3.68Å; K1197-D1253 PolarHBondContact NZ-OD1 2.94Å; D1253-V1256 PolarHBondContact O-N 3.3Å; D1253-A1257 PolarHBondContact O-N 3.01Å
1254K87Confident86.2Confident90 Ų9024 Ų2439%0.39111%0.113SC..Hα-helixtrans-59.2-55.9173.9178.2169.6177.7179.30111.3S1252 V1256 A1257 D1258S1252-K1254 PolarHBondContact O-N 3.47Å; S1252-K1254 VanDerWaalsContact O-N 3.08Å; K1254-V1256 PolarHBondContact O-N 2.67Å; K1254-A1257 WeakPolarHBondContact O-CA 3.36Å; K1254-A1257 WeakPolarHBondContact O-CB 3.35Å; K1254-A1257 PolarHBondContact O-N 3.05Å; K1254-D1258 WeakPolarHBondContact CE-OD1 3.49Å; K1254-D1258 WeakPolarHBondContact CE-OD2 3.35Å; K1254-D1258 WeakPolarHBondContact CG-OD1 3.47Å; K1254-D1258 IonicContact NZ-OD1 2.68Å; K1254-D1258 VanDerWaalsContact O-CG 3.29Å; K1254-D1258 PolarHBondContact O-N 2.74Å
1255R89.2Confident87.5Confident50 Ų5021.5 Ų21.519%0.18910%0.099CC..Hα-helixtrans-61.2-19.7-176.3-70.5-43.3-159.6-179.97113.8E1149 V1251 S1252 D1258 C1259E1149-R1255 IonicContact OE1-CZ 3.44Å; E1149-R1255 IonicContact OE1-NH1 3.94Å; E1149-R1255 PolarHBondContact OE1-NH1 3.41Å; E1149-R1255 IonicContact OE1-NH2 2.72Å; E1149-R1255 PolarHBondContact OE1-NH2 2.87Å; E1149-R1255 VanDerWaalsContact OE1-NH2 3.11Å; V1251-R1255 HydrophobicContact CG1-CB 4.33Å; S1252-R1255 PolarHBondContact O-N 2.85Å; R1255-D1258 WeakPolarHBondContact CD-OD2 3.31Å; R1255-D1258 IonicContact CZ-OD2 2.95Å; R1255-D1258 IonicContact NE-OD2 2.76Å; R1255-D1258 IonicContact NH1-OD2 3.33Å; R1255-D1258 PolarHBondContact NH1-OD2 3.46Å; R1255-C1259 VanDerWaalsContact O-CB 3.29Å; R1255-C1259 WeakPolarHBondContact O-CB 3.31Å; R1255-C1259 PolarHBondContact O-N 2.73Å
1256V91.6Very high88.5Confident0 Ų020.7 Ų20.70%010%0.095CC..Hα-helixtrans-74.1-37.8170.9-171.60000111.7C1193 C1202 I1205 V1251 S1252 D1253 K1254 V1260C1193-V1256 HydrophobicContact CB-CB 4.26Å; C1202-V1256 VanDerWaalsContact SG-CG2 3.51Å; I1205-V1256 HydrophobicContact CD1-CG2 4.43Å; V1251-V1256 HydrophobicContact CG1-CG2 3.73Å; S1252-V1256 PolarHBondContact O-N 3.44Å; D1253-V1256 PolarHBondContact O-N 3.3Å; K1254-V1256 PolarHBondContact O-N 2.67Å; V1256-V1260 WeakPolarHBondContact O-CG2 3.19Å; V1256-V1260 PolarHBondContact O-N 2.86Å
1257A92.9Very high89.2Confident0 Ų020.5 Ų20.50%09%0.094CC..Hα-helixtrans-68.4-49.8173.400000111.5N1189 L1192 D1253 K1254 C1259 V1260 E1261N1189-A1257 HydrophobicContact CB-CB 3.73Å; L1192-A1257 HydrophobicContact CB-CB 3.74Å; L1192-A1257 HydrophobicContact CD1-CB 4.4Å; D1253-A1257 PolarHBondContact O-N 3.01Å; K1254-A1257 WeakPolarHBondContact O-CA 3.36Å; K1254-A1257 WeakPolarHBondContact O-CB 3.35Å; K1254-A1257 PolarHBondContact O-N 3.05Å; A1257-C1259 PolarHBondContact O-N 3.06Å; A1257-V1260 WeakPolarHBondContact O-CA 3.39Å; A1257-V1260 WeakPolarHBondContact O-CB 3.01Å; A1257-V1260 PolarHBondContact O-N 2.98Å; A1257-E1261 PolarHBondContact O-N 2.81Å
1258D93.4Very high89.9Confident0 Ų018.9 Ų18.90%09%0.086CC..Hα-helixtrans-51.1-43177.4-54.51.8000111.4M1148 E1152 K1254 R1255 E1261 A1262M1148-D1258 HydrophobicContact SD-CB 4.01Å; E1152-D1258 HydrophobicContact CG-CB 4.34Å; K1254-D1258 WeakPolarHBondContact CE-OD1 3.49Å; K1254-D1258 WeakPolarHBondContact CE-OD2 3.35Å; K1254-D1258 WeakPolarHBondContact CG-OD1 3.47Å; K1254-D1258 IonicContact NZ-OD1 2.68Å; K1254-D1258 VanDerWaalsContact O-CG 3.29Å; K1254-D1258 PolarHBondContact O-N 2.74Å; R1255-D1258 WeakPolarHBondContact CD-OD2 3.31Å; R1255-D1258 IonicContact CZ-OD2 2.95Å; R1255-D1258 IonicContact NE-OD2 2.76Å; R1255-D1258 IonicContact NH1-OD2 3.33Å; R1255-D1258 PolarHBondContact NH1-OD2 3.46Å; D1258-E1261 PolarHBondContact O-N 2.84Å; D1258-A1262 WeakPolarHBondContact O-CB 3.43Å; D1258-A1262 PolarHBondContact O-N 2.85Å
1259C94.2Very high90.2Very high0 Ų016.4 Ų16.40%08%0.077CC..Hα-helixtrans-66.4-38.7176.2177.50000113.5A1136 M1148 I1205 R1255 A1257 A1262 L1263A1136-C1259 PolarHBondContact O-SG 3.42Å; M1148-C1259 HydrophobicContact CE-CB 3.89Å; M1148-C1259 HydrophobicContact SD-CB 4.22Å; I1205-C1259 HydrophobicContact CD1-CB 3.77Å; I1205-C1259 HydrophobicContact CG1-CB 4.06Å; R1255-C1259 VanDerWaalsContact O-CB 3.29Å; R1255-C1259 WeakPolarHBondContact O-CB 3.31Å; R1255-C1259 PolarHBondContact O-N 2.73Å; A1257-C1259 PolarHBondContact O-N 3.06Å; C1259-A1262 PolarHBondContact O-N 2.93Å; C1259-L1263 WeakPolarHBondContact O-CG 3.2Å; C1259-L1263 PolarHBondContact O-N 2.53Å
1260V95.6Very high90.3Very high1 Ų116.5 Ų16.51%0.0068%0.079CC..Hα-helixtrans-65.5-41174.9168.20000110.5L1192 L1201 V1256 A1257 L1263 I1264 L1283L1192-V1260 HydrophobicContact CD2-CG1 4.34Å; L1201-V1260 HydrophobicContact CD1-CG2 3.63Å; V1256-V1260 WeakPolarHBondContact O-CG2 3.19Å; V1256-V1260 PolarHBondContact O-N 2.86Å; A1257-V1260 WeakPolarHBondContact O-CA 3.39Å; A1257-V1260 WeakPolarHBondContact O-CB 3.01Å; A1257-V1260 PolarHBondContact O-N 2.98Å; V1260-L1263 PolarHBondContact O-N 2.86Å; V1260-I1264 HydrophobicContact CG1-CD1 4.16Å; V1260-I1264 WeakPolarHBondContact O-CG1 3.48Å; V1260-I1264 PolarHBondContact O-N 3.3Å; V1260-I1264 VanDerWaalsContact O-N 3.07Å; V1260-L1283 HydrophobicContact CG1-CD1 4.1Å
1261E95.4Very high90.5Very high13 Ų1315.5 Ų15.56%0.0617%0.073CC..Hα-helixtrans-63.9-46.3174.8-66.7172.5135.800110.4E1152 G1155 L1159 L1192 A1257 D1258 L1263 I1264 G1265E1152-E1261 HydrophobicContact CG-CB 4.35Å; G1155-E1261 WeakPolarHBondContact CA-O 3.48Å; L1159-E1261 HydrophobicContact CD2-CG 4.16Å; L1192-E1261 HydrophobicContact CD1-CG 3.8Å; L1192-E1261 WeakPolarHBondContact CD1-OE1 3.47Å; A1257-E1261 PolarHBondContact O-N 2.81Å; D1258-E1261 PolarHBondContact O-N 2.84Å; E1261-L1263 VanDerWaalsContact C-N 3.34Å; E1261-L1263 PolarHBondContact O-N 2.74Å; E1261-I1264 WeakPolarHBondContact O-CA 3.36Å; E1261-I1264 WeakPolarHBondContact O-CB 3.47Å; E1261-I1264 PolarHBondContact O-N 2.89Å; E1261-G1265 PolarHBondContact O-N 2.79Å
1262A94.2Very high90.5Very high0 Ų015.5 Ų15.50%07%0.074CC..Hα-helixtrans-60.2-38.6176.100000113.8A1136 M1148 A1151 E1152 D1258 C1259 G1265 V1266A1136-A1262 HydrophobicContact CB-CB 3.92Å; M1148-A1262 HydrophobicContact CB-CB 3.69Å; A1151-A1262 HydrophobicContact CB-CB 3.99Å; E1152-A1262 HydrophobicContact CB-CB 4.39Å; D1258-A1262 WeakPolarHBondContact O-CB 3.43Å; D1258-A1262 PolarHBondContact O-N 2.85Å; C1259-A1262 PolarHBondContact O-N 2.93Å; A1262-G1265 PolarHBondContact O-N 3.2Å; A1262-V1266 WeakPolarHBondContact O-CG2 3.25Å; A1262-V1266 PolarHBondContact O-N 3.22Å
1263L94.8Very high90.6Very high1 Ų116.1 Ų16.11%0.0057%0.073CC..Hα-helixtrans-63-42.9172.6-76.5166.1000111.3I1133 A1136 L1201 C1259 V1260 E1261 G1265 V1266 Y1267 F1279I1133-L1263 HydrophobicContact CD1-CD2 4.22Å; A1136-L1263 HydrophobicContact CB-CB 4.48Å; A1136-L1263 HydrophobicContact CB-CD2 3.71Å; A1136-L1263 HydrophobicContact CB-CG 3.84Å; L1201-L1263 HydrophobicContact CD1-CD1 3.79Å; L1201-L1263 HydrophobicContact CD2-CD1 3.81Å; L1201-L1263 HydrophobicContact CG-CD1 4.46Å; C1259-L1263 WeakPolarHBondContact O-CG 3.2Å; C1259-L1263 PolarHBondContact O-N 2.53Å; V1260-L1263 PolarHBondContact O-N 2.86Å; E1261-L1263 VanDerWaalsContact C-N 3.34Å; E1261-L1263 PolarHBondContact O-N 2.74Å; L1263-G1265 PolarHBondContact O-N 2.89Å; L1263-V1266 PolarHBondContact O-N 3.26Å; L1263-Y1267 WeakPolarHBondContact O-CD2 3.4Å; L1263-Y1267 PolarHBondContact O-N 3.42Å; L1263-F1279 HydrophobicContact CB-CE1 4.11Å; L1263-F1279 HydrophobicContact CB-CZ 4Å
1264I95Very high90.5Very high0 Ų017.5 Ų17.50%09%0.09CC..Hα-helixtrans-59.8-46.3174.8-67.1163000110.4F1158 L1159 V1260 E1261 V1266 Y1267 V1268 F1279 M1280 L1283 L1285F1158-I1264 HydrophobicContact CD1-CG2 3.89Å; L1159-I1264 HydrophobicContact CD1-CD1 4.47Å; V1260-I1264 HydrophobicContact CG1-CD1 4.16Å; V1260-I1264 WeakPolarHBondContact O-CG1 3.48Å; V1260-I1264 PolarHBondContact O-N 3.3Å; V1260-I1264 VanDerWaalsContact O-N 3.07Å; E1261-I1264 WeakPolarHBondContact O-CA 3.36Å; E1261-I1264 WeakPolarHBondContact O-CB 3.47Å; E1261-I1264 PolarHBondContact O-N 2.89Å; I1264-V1266 VanDerWaalsContact C-N 3.33Å; I1264-V1266 PolarHBondContact O-N 2.85Å; I1264-Y1267 PolarHBondContact O-N 3.24Å; I1264-V1268 HydrophobicContact CG2-CG2 4.39Å; I1264-V1268 VanDerWaalsContact O-CG2 3.28Å; I1264-V1268 WeakPolarHBondContact O-CG2 3.29Å; I1264-V1268 PolarHBondContact O-N 2.9Å; I1264-F1279 HydrophobicContact CG1-CD1 4.29Å; I1264-F1279 HydrophobicContact CG1-CE1 3.9Å; I1264-M1280 HydrophobicContact CD1-CE 4.14Å; I1264-M1280 HydrophobicContact CD1-CG 4.06Å; I1264-M1280 HydrophobicContact CG1-CG 3.91Å; I1264-M1280 HydrophobicContact CG1-SD 4.49Å; I1264-M1280 HydrophobicContact CG2-CE 4.19Å; I1264-M1280 HydrophobicContact CG2-CG 4.27Å; I1264-M1280 HydrophobicContact CG2-SD 3.8Å; I1264-L1283 HydrophobicContact CD1-CD1 4.35Å; I1264-L1283 HydrophobicContact CG1-CD1 4.31Å; I1264-L1285 HydrophobicContact CD1-CD1 4.2Å
1265G92.3Very high90.4Very high0 Ų014.1 Ų14.10%08%0.077CC..Hα-helixtrans-58.8-40.8176.100000113.4E1261 A1262 L1263 V1268 R1269E1261-G1265 PolarHBondContact O-N 2.79Å; A1262-G1265 PolarHBondContact O-N 3.2Å; L1263-G1265 PolarHBondContact O-N 2.89Å; G1265-V1268 PolarHBondContact O-N 3.06Å; G1265-R1269 PolarHBondContact O-N 3.15Å
1266V92Very high90.5Very high7 Ų711.8 Ų11.84%0.0427%0.068CC..Hα-helixtrans-64.5-43.9174.5161.30000112.3P1128 E1132 I1133 A1136 A1151 A1262 L1263 I1264 R1269 S1270P1128-V1266 HydrophobicContact CB-CG1 3.71Å; P1128-V1266 HydrophobicContact CG-CG1 3.85Å; E1132-V1266 HydrophobicContact CB-CG1 3.76Å; E1132-V1266 HydrophobicContact CB-CG2 4.45Å; I1133-V1266 HydrophobicContact CD1-CG1 4.32Å; A1136-V1266 HydrophobicContact CB-CG2 4.04Å; A1151-V1266 HydrophobicContact CB-CG2 4.24Å; A1262-V1266 WeakPolarHBondContact O-CG2 3.25Å; A1262-V1266 PolarHBondContact O-N 3.22Å; L1263-V1266 PolarHBondContact O-N 3.26Å; I1264-V1266 VanDerWaalsContact C-N 3.33Å; I1264-V1266 PolarHBondContact O-N 2.85Å; V1266-R1269 PolarHBondContact O-N 2.97Å; V1266-S1270 VanDerWaalsContact O-CB 3.26Å; V1266-S1270 WeakPolarHBondContact O-CB 3.34Å; V1266-S1270 PolarHBondContact O-N 3.06Å; V1266-S1270 PolarHBondContact O-OG 2.68Å
1267Y92.2Very high90.3Very high1 Ų113.9 Ų13.90%0.0048%0.079CC..Hα-helixtrans-65.1-39.3175.8-90.1-85.8000112.2I936 F941 P1128 I1133 L1263 I1264 C1271 G1272 V1275 F1279I936-Y1267 HydrophobicContact CD1-CE2 4.28Å; I936-Y1267 WeakPolarHBondContact CG2-OH 3.3Å; F941-Y1267 HydrophobicContact CE2-CE1 4.38Å; F941-Y1267 HydrophobicContact CZ-CE1 4.07Å; P1128-Y1267 HydrophobicContact CG-CD1 4.05Å; P1128-Y1267 HydrophobicContact CG-CD2 4.21Å; P1128-Y1267 HydrophobicContact CG-CE1 3.94Å; P1128-Y1267 HydrophobicContact CG-CE2 4.09Å; P1128-Y1267 HydrophobicContact CG-CG 4.18Å; I1133-Y1267 HydrophobicContact CD1-CE2 4.23Å; L1263-Y1267 WeakPolarHBondContact O-CD2 3.4Å; L1263-Y1267 PolarHBondContact O-N 3.42Å; I1264-Y1267 PolarHBondContact O-N 3.24Å; Y1267-C1271 HydrophobicContact CD1-CB 4.43Å; Y1267-C1271 WeakPolarHBondContact O-CA 3.29Å; Y1267-C1271 WeakPolarHBondContact O-CB 3.38Å; Y1267-C1271 PolarHBondContact O-N 2.92Å; Y1267-G1272 PolarHBondContact O-N 2.7Å; Y1267-V1275 HydrophobicContact CD1-CG1 4.24Å; Y1267-F1279 HydrophobicContact CD1-CB 4.3Å; Y1267-F1279 HydrophobicContact CD1-CG 4.43Å; Y1267-F1279 AromaticContact CD2-CD1 3.62Å; Y1267-F1279 HydrophobicContact CD2-CD1 3.62Å; Y1267-F1279 HydrophobicContact CD2-CD2 4.32Å; Y1267-F1279 AromaticContact CD2-CE1 3.69Å; Y1267-F1279 HydrophobicContact CD2-CE1 3.69Å; Y1267-F1279 HydrophobicContact CD2-CE2 4.38Å; Y1267-F1279 AromaticContact CD2-CG 3.94Å; Y1267-F1279 HydrophobicContact CD2-CG 3.94Å; Y1267-F1279 HydrophobicContact CD2-CZ 4.08Å; Y1267-F1279 HydrophobicContact CE2-CD1 4.19Å; Y1267-F1279 HydrophobicContact CE2-CD2 4.07Å; Y1267-F1279 HydrophobicContact CE2-CE1 4.15Å; Y1267-F1279 HydrophobicContact CE2-CE2 4.03Å; Y1267-F1279 HydrophobicContact CE2-CG 4.14Å; Y1267-F1279 HydrophobicContact CE2-CZ 4.07Å; Y1267-F1279 HydrophobicContact CG-CB 4.35Å; Y1267-F1279 AromaticContact CG-CD1 3.88Å; Y1267-F1279 HydrophobicContact CG-CD1 3.88Å; Y1267-F1279 HydrophobicContact CG-CE1 4.39Å; Y1267-F1279 HydrophobicContact CG-CG 4.11Å
1268V89.9Confident90.1Very high0 Ų017 Ų170%09%0.094CC..Hα-helixtrans-59.1-50.1175.1167.90000111.4F1158 I1264 G1265 G1272 A1276 Y1361F1158-V1268 HydrophobicContact CB-CG2 3.95Å; F1158-V1268 HydrophobicContact CD1-CG2 3.27Å; F1158-V1268 HydrophobicContact CD2-CG1 4.42Å; F1158-V1268 HydrophobicContact CD2-CG2 3.9Å; F1158-V1268 HydrophobicContact CE1-CG2 3.61Å; F1158-V1268 HydrophobicContact CE2-CG2 4.2Å; F1158-V1268 HydrophobicContact CG-CG2 3.41Å; F1158-V1268 VanDerWaalsContact CG-CG2 3.41Å; F1158-V1268 HydrophobicContact CZ-CG2 4.06Å; I1264-V1268 HydrophobicContact CG2-CG2 4.39Å; I1264-V1268 VanDerWaalsContact O-CG2 3.28Å; I1264-V1268 WeakPolarHBondContact O-CG2 3.29Å; I1264-V1268 PolarHBondContact O-N 2.9Å; G1265-V1268 PolarHBondContact O-N 3.06Å; V1268-G1272 VanDerWaalsContact O-CA 3.28Å; V1268-G1272 WeakPolarHBondContact O-CA 3.46Å; V1268-G1272 PolarHBondContact O-N 3Å; V1268-G1272 VanDerWaalsContact O-N 3.14Å; V1268-A1276 HydrophobicContact CB-CB 4.48Å; V1268-A1276 HydrophobicContact CG2-CB 3.65Å; V1268-Y1361 HydrophobicContact CG1-CE2 4.35Å; V1268-Y1361 WeakPolarHBondContact CG1-OH 3.3Å
1269R86.6Confident90Very high71 Ų7117.1 Ų17.127%0.2689%0.094SC..Hα-helixtrans-66.6-45.4-179.6179.6-178.2173.978.2-1.7112.7L1154 G1265 V1266 E1369L1154-R1269 HydrophobicContact CD2-CB 4.46Å; G1265-R1269 PolarHBondContact O-N 3.15Å; V1266-R1269 PolarHBondContact O-N 2.97Å; R1269-E1369 IonicContact CZ-OE1 2.73Å; R1269-E1369 IonicContact CZ-OE2 3.35Å; R1269-E1369 IonicContact NH1-OE1 2.64Å; R1269-E1369 PolarHBondContact NH1-OE1 2.96Å; R1269-E1369 IonicContact NH1-OE2 3.67Å; R1269-E1369 PolarHBondContact NH1-OE2 3.42Å
1270S85.4Confident89.9Confident12 Ų1217.1 Ų17.18%0.0849%0.094CC..Hα-helixtrans-90.2-28.8-165.6-42.50000113.4R1125 E1132 V1266R1125-S1270 PolarHBondContact N-O 2.96Å; E1132-S1270 PolarHBondContact OE2-OG 3.44Å; V1266-S1270 VanDerWaalsContact O-CB 3.26Å; V1266-S1270 WeakPolarHBondContact O-CB 3.34Å; V1266-S1270 PolarHBondContact O-N 3.06Å; V1266-S1270 PolarHBondContact O-OG 2.68Å
1271C85Confident89.7Confident4 Ų421.9 Ų21.93%0.02712%0.117CC..Hα-helixtrans-123.5-6.4-173.3-48.30000114Y1124 R1125 Q1127 P1128 Y1267 V1275Y1124-C1271 VanDerWaalsContact CD1-C 3.47Å; R1125-C1271 VanDerWaalsContact O-CA 3.27Å; R1125-C1271 WeakPolarHBondContact O-CA 3.45Å; R1125-C1271 VanDerWaalsContact O-CB 3.23Å; R1125-C1271 WeakPolarHBondContact O-CB 3.04Å; R1125-C1271 PolarHBondContact O-SG 2.96Å; Q1127-C1271 VanDerWaalsContact C-SG 3.58Å; P1128-C1271 VanDerWaalsContact CD-SG 3.55Å; Y1267-C1271 HydrophobicContact CD1-CB 4.43Å; Y1267-C1271 WeakPolarHBondContact O-CA 3.29Å; Y1267-C1271 WeakPolarHBondContact O-CB 3.38Å; Y1267-C1271 PolarHBondContact O-N 2.92Å; C1271-V1275 HydrophobicContact CB-CB 3.61Å; C1271-V1275 HydrophobicContact CB-CG1 3.7Å; C1271-V1275 HydrophobicContact CB-CG2 4.06Å; C1271-V1275 WeakPolarHBondContact O-CG2 3.47Å
1272G84.2Confident89.5Confident2 Ų223.1 Ų23.12%0.02112%0.121CC..Hα-helixtrans77.3171-179.700000114.1Y1124 Y1267 V1268 A1274 V1275 A1276Y1124-G1272 VanDerWaalsContact CD1-N 3.35Å; Y1267-G1272 PolarHBondContact O-N 2.7Å; V1268-G1272 VanDerWaalsContact O-CA 3.28Å; V1268-G1272 WeakPolarHBondContact O-CA 3.46Å; V1268-G1272 PolarHBondContact O-N 3Å; V1268-G1272 VanDerWaalsContact O-N 3.14Å; G1272-A1274 VanDerWaalsContact C-N 3.32Å; G1272-A1274 PolarHBondContact O-N 3.42Å; G1272-V1275 PolarHBondContact O-N 3.34Å; G1272-A1276 PolarHBondContact O-N 3.39Å; G1272-A1276 VanDerWaalsContact O-N 3.16Å
1273H87Confident89.4Confident43 Ų4323.2 Ų23.220%0.19912%0.121CC..Hα-helixtrans-58.1-38.1-170.7-56.6142000114.3F1120 F1158 A1276 L1277 Y1361 L1477F1120-H1273 AromaticContact CD1-CE1 3.66Å; F1120-H1273 AromaticContact CE1-CE1 3Å; F1120-H1273 WeakPolarHBondContact CE1-CE1 3.4Å; F1120-H1273 AromaticContact CE1-NE2 3.33Å; F1120-H1273 VanDerWaalsContact CE1-NE2 3.33Å; F1120-H1273 WeakPolarHBondContact CE1-NE2 3.46Å; F1120-H1273 AromaticContact CZ-CE1 3.31Å; F1120-H1273 WeakPolarHBondContact CZ-CE1 3.32Å; F1120-H1273 AromaticContact CZ-NE2 3.48Å; F1120-H1273 WeakPolarHBondContact CZ-NE2 3.45Å; F1158-H1273 HydrophobicContact CE2-CB 4.17Å; F1158-H1273 AromaticContact CE2-CD2 3.33Å; F1158-H1273 WeakPolarHBondContact CE2-CD2 3.35Å; F1158-H1273 AromaticContact CE2-CG 3.94Å; F1158-H1273 HydrophobicContact CZ-CB 4.1Å; F1158-H1273 AromaticContact CZ-CD2 4Å; H1273-A1276 PolarHBondContact O-N 3.27Å; H1273-L1277 WeakPolarHBondContact O-CB 3.45Å; H1273-L1277 VanDerWaalsContact O-CG 3.26Å; H1273-L1277 WeakPolarHBondContact O-CG 3.34Å; H1273-L1277 PolarHBondContact O-N 2.94Å; H1273-Y1361 AromaticContact NE2-CE1 2.93Å; H1273-Y1361 WeakPolarHBondContact NE2-CE1 3.42Å; H1273-Y1361 AromaticContact NE2-CZ 2.74Å; H1273-Y1361 PolarHBondContact NE2-OH 3.35Å; H1273-L1477 VanDerWaalsContact CE1-CD1 3.44Å; H1273-L1477 WeakPolarHBondContact CE1-CD1 3.4Å
1274A83.2Confident89.2Confident72 Ų7225.2 Ų25.260%0.59514%0.142SC*.Hα-helixtrans-66.1-47.1-174.700000112.3G1272 L1277 Q1278G1272-A1274 VanDerWaalsContact C-N 3.32Å; G1272-A1274 PolarHBondContact O-N 3.42Å; A1274-L1277 PolarHBondContact O-N 2.85Å; A1274-Q1278 PolarHBondContact O-N 2.87Å
1275V85.5Confident88.9Confident20 Ų2025.5 Ų25.512%0.12114%0.143CC..Hα-helixtrans-69.9-36.5178.2-175.10000110.6F941 Y1267 C1271 G1272 L1277 Q1278 F1279F941-V1275 HydrophobicContact CE1-CG1 3.66Å; F941-V1275 HydrophobicContact CE2-CG1 4.31Å; F941-V1275 HydrophobicContact CZ-CG1 3.53Å; Y1267-V1275 HydrophobicContact CD1-CG1 4.24Å; C1271-V1275 HydrophobicContact CB-CB 3.61Å; C1271-V1275 HydrophobicContact CB-CG1 3.7Å; C1271-V1275 HydrophobicContact CB-CG2 4.06Å; C1271-V1275 WeakPolarHBondContact O-CG2 3.47Å; G1272-V1275 PolarHBondContact O-N 3.34Å; V1275-L1277 PolarHBondContact O-N 2.7Å; V1275-Q1278 PolarHBondContact O-N 3.06Å; V1275-F1279 PolarHBondContact O-N 2.96Å
1276A89.9Confident88.6Confident0 Ų026.9 Ų26.90%015%0.153CC..Hα-helixtrans-61.7-41.5173.700000112.6F1158 V1268 G1272 H1273 F1279 M1280F1158-A1276 HydrophobicContact CE1-CB 3.85Å; F1158-A1276 HydrophobicContact CZ-CB 4.29Å; V1268-A1276 HydrophobicContact CB-CB 4.48Å; V1268-A1276 HydrophobicContact CG2-CB 3.65Å; G1272-A1276 PolarHBondContact O-N 3.39Å; G1272-A1276 VanDerWaalsContact O-N 3.16Å; H1273-A1276 PolarHBondContact O-N 3.27Å; A1276-F1279 PolarHBondContact O-N 3.1Å; A1276-M1280 WeakPolarHBondContact O-CB 3.48Å; A1276-M1280 VanDerWaalsContact O-CG 3.23Å; A1276-M1280 WeakPolarHBondContact O-CG 3.33Å; A1276-M1280 PolarHBondContact O-N 3.25Å
1277L88.6Confident88.1Confident44 Ų4427 Ų2723%0.2315%0.154CC..Hα-helixtrans-65-38.5175.9-73.5167.2000112.6F1158 A1162 H1273 A1274 V1275 M1280 E1281 V1287 I1288F1158-L1277 HydrophobicContact CE1-CD2 4.38Å; F1158-L1277 HydrophobicContact CE1-CG 4.43Å; F1158-L1277 HydrophobicContact CZ-CD2 4.3Å; F1158-L1277 HydrophobicContact CZ-CG 4.14Å; A1162-L1277 HydrophobicContact CB-CD2 3.68Å; H1273-L1277 WeakPolarHBondContact O-CB 3.45Å; H1273-L1277 VanDerWaalsContact O-CG 3.26Å; H1273-L1277 WeakPolarHBondContact O-CG 3.34Å; H1273-L1277 PolarHBondContact O-N 2.94Å; A1274-L1277 PolarHBondContact O-N 2.85Å; V1275-L1277 PolarHBondContact O-N 2.7Å; L1277-M1280 PolarHBondContact O-N 2.93Å; L1277-E1281 PolarHBondContact O-N 3.37Å; L1277-V1287 HydrophobicContact CD2-CB 3.97Å; L1277-V1287 HydrophobicContact CD2-CG2 4.22Å; L1277-I1288 HydrophobicContact CB-CD1 4.33Å; L1277-I1288 HydrophobicContact CB-CG1 4.27Å
1278Q87.9Confident87.3Confident67 Ų6730 Ų3031%0.31317%0.169SC..Hα-helixtrans-64.6-44.5173.4-72.7173.3-2600111.7F941 A1274 V1275 M1280 E1281 W1282F941-Q1278 HydrophobicContact CD1-CB 4.12Å; F941-Q1278 HydrophobicContact CE1-CB 3.81Å; A1274-Q1278 PolarHBondContact O-N 2.87Å; V1275-Q1278 PolarHBondContact O-N 3.06Å; Q1278-M1280 VanDerWaalsContact C-N 3.32Å; Q1278-M1280 PolarHBondContact O-N 2.86Å; Q1278-E1281 PolarHBondContact O-N 3.23Å; Q1278-W1282 PolarHBondContact O-N 2.95Å
1279F91.3Very high86.1Confident1 Ų131.7 Ų31.70%0.00418%0.181CC..Hα-helixtrans-58.4-42.5173.6168.9-118.2000112.1I936 L1263 I1264 Y1267 V1275 A1276 W1282 L1283I936-F1279 HydrophobicContact CD1-CE2 3.82Å; I936-F1279 HydrophobicContact CG1-CE2 4.22Å; I936-F1279 HydrophobicContact CG2-CD2 3.65Å; I936-F1279 HydrophobicContact CG2-CE2 4.02Å; L1263-F1279 HydrophobicContact CB-CE1 4.11Å; L1263-F1279 HydrophobicContact CB-CZ 4Å; I1264-F1279 HydrophobicContact CG1-CD1 4.29Å; I1264-F1279 HydrophobicContact CG1-CE1 3.9Å; Y1267-F1279 HydrophobicContact CD1-CB 4.3Å; Y1267-F1279 HydrophobicContact CD1-CG 4.43Å; Y1267-F1279 AromaticContact CD2-CD1 3.62Å; Y1267-F1279 HydrophobicContact CD2-CD1 3.62Å; Y1267-F1279 HydrophobicContact CD2-CD2 4.32Å; Y1267-F1279 AromaticContact CD2-CE1 3.69Å; Y1267-F1279 HydrophobicContact CD2-CE1 3.69Å; Y1267-F1279 HydrophobicContact CD2-CE2 4.38Å; Y1267-F1279 AromaticContact CD2-CG 3.94Å; Y1267-F1279 HydrophobicContact CD2-CG 3.94Å; Y1267-F1279 HydrophobicContact CD2-CZ 4.08Å; Y1267-F1279 HydrophobicContact CE2-CD1 4.19Å; Y1267-F1279 HydrophobicContact CE2-CD2 4.07Å; Y1267-F1279 HydrophobicContact CE2-CE1 4.15Å; Y1267-F1279 HydrophobicContact CE2-CE2 4.03Å; Y1267-F1279 HydrophobicContact CE2-CG 4.14Å; Y1267-F1279 HydrophobicContact CE2-CZ 4.07Å; Y1267-F1279 HydrophobicContact CG-CB 4.35Å; Y1267-F1279 AromaticContact CG-CD1 3.88Å; Y1267-F1279 HydrophobicContact CG-CD1 3.88Å; Y1267-F1279 HydrophobicContact CG-CE1 4.39Å; Y1267-F1279 HydrophobicContact CG-CG 4.11Å; V1275-F1279 PolarHBondContact O-N 2.96Å; A1276-F1279 PolarHBondContact O-N 3.1Å; F1279-W1282 AromaticContact CD2-CE3 3.95Å; F1279-W1282 HydrophobicContact CD2-CE3 3.95Å; F1279-W1282 HydrophobicContact CD2-CZ3 4.23Å; F1279-W1282 HydrophobicContact CE2-CE3 4.01Å; F1279-W1282 AromaticContact CE2-CZ3 3.83Å; F1279-W1282 HydrophobicContact CE2-CZ3 3.83Å; F1279-W1282 PolarHBondContact O-N 3.17Å; F1279-L1283 HydrophobicContact CD1-CD1 4.23Å; F1279-L1283 HydrophobicContact CD2-CG 4.43Å; F1279-L1283 HydrophobicContact CE1-CD1 3.7Å; F1279-L1283 HydrophobicContact CE1-CG 4.44Å; F1279-L1283 HydrophobicContact CE2-CD1 4.16Å; F1279-L1283 HydrophobicContact CE2-CD2 4.28Å; F1279-L1283 HydrophobicContact CE2-CG 4.04Å; F1279-L1283 HydrophobicContact CZ-CD1 3.66Å; F1279-L1283 HydrophobicContact CZ-CD2 4.3Å; F1279-L1283 HydrophobicContact CZ-CG 4.05Å; F1279-L1283 WeakPolarHBondContact O-CG 3.42Å; F1279-L1283 PolarHBondContact O-N 3.47Å
1280M93.1Very high85Confident0 Ų037.8 Ų37.80%021%0.209CC..Hα-helixtrans-68.4-35.5176.3-70168.486.400113.1F1158 L1159 A1162 I1264 A1276 L1277 Q1278 L1283 G1284 L1285 V1287F1158-M1280 HydrophobicContact CD1-CE 4.45Å; F1158-M1280 HydrophobicContact CD1-SD 3.81Å; F1158-M1280 HydrophobicContact CE1-SD 3.65Å; L1159-M1280 HydrophobicContact CB-CE 4.14Å; L1159-M1280 HydrophobicContact CD1-CE 3.47Å; L1159-M1280 VanDerWaalsContact CD1-CE 3.47Å; L1159-M1280 HydrophobicContact CG-CE 4.42Å; A1162-M1280 HydrophobicContact CB-CE 4.07Å; A1162-M1280 HydrophobicContact CB-SD 4.49Å; I1264-M1280 HydrophobicContact CD1-CE 4.14Å; I1264-M1280 HydrophobicContact CD1-CG 4.06Å; I1264-M1280 HydrophobicContact CG1-CG 3.91Å; I1264-M1280 HydrophobicContact CG1-SD 4.49Å; I1264-M1280 HydrophobicContact CG2-CE 4.19Å; I1264-M1280 HydrophobicContact CG2-CG 4.27Å; I1264-M1280 HydrophobicContact CG2-SD 3.8Å; A1276-M1280 WeakPolarHBondContact O-CB 3.48Å; A1276-M1280 VanDerWaalsContact O-CG 3.23Å; A1276-M1280 WeakPolarHBondContact O-CG 3.33Å; A1276-M1280 PolarHBondContact O-N 3.25Å; L1277-M1280 PolarHBondContact O-N 2.93Å; Q1278-M1280 VanDerWaalsContact C-N 3.32Å; Q1278-M1280 PolarHBondContact O-N 2.86Å; M1280-L1283 PolarHBondContact O-N 3.29Å; M1280-G1284 PolarHBondContact O-N 2.92Å; M1280-L1285 HydrophobicContact CB-CD1 4.19Å; M1280-L1285 HydrophobicContact CE-CD1 4.1Å; M1280-L1285 HydrophobicContact CG-CD1 4.27Å; M1280-L1285 WeakPolarHBondContact O-CB 3.42Å; M1280-L1285 PolarHBondContact O-N 3.06Å; M1280-V1287 HydrophobicContact CB-CG1 4.26Å; M1280-V1287 HydrophobicContact CB-CG2 3.63Å; M1280-V1287 HydrophobicContact CE-CG1 3.79Å; M1280-V1287 HydrophobicContact SD-CG1 4.47Å
1281E90.8Very high83.8Confident101 Ų10139.3 Ų39.347%0.47222%0.223SC..Hα-helixtrans-64.9-42.7171.8-174.1173.3-12700111L1277 Q1278 G1284 V1287 I1288L1277-E1281 PolarHBondContact O-N 3.37Å; Q1278-E1281 PolarHBondContact O-N 3.23Å; E1281-G1284 VanDerWaalsContact O-CA 3.31Å; E1281-G1284 WeakPolarHBondContact O-CA 3.41Å; E1281-G1284 PolarHBondContact O-N 2.78Å; E1281-V1287 HydrophobicContact CB-CG2 4.42Å; E1281-I1288 HydrophobicContact CB-CD1 4.23Å; E1281-I1288 HydrophobicContact CB-CG1 4.41Å
1282W91.9Very high82.8Confident40 Ų4048.2 Ų48.215%0.15226%0.264CS..Hα-helixtrans-64-39.3173.3170.786.6000112.9I936 E939 A940 R1198 I1199 Q1278 F1279 G1284I936-W1282 HydrophobicContact CG1-CH2 3.79Å; I936-W1282 HydrophobicContact CG1-CZ3 3.85Å; I936-W1282 HydrophobicContact CG2-CZ3 4.5Å; E939-W1282 HydrophobicContact CB-CZ2 4.38Å; E939-W1282 WeakPolarHBondContact OE2-CZ2 3.43Å; E939-W1282 PolarHBondContact OE2-NE1 3.35Å; A940-W1282 HydrophobicContact CB-CB 3.62Å; A940-W1282 HydrophobicContact CB-CD2 4.07Å; A940-W1282 HydrophobicContact CB-CG 3.59Å; R1198-W1282 PolarHBondContact NH2-O 3.36Å; I1199-W1282 HydrophobicContact CB-CH2 4.19Å; I1199-W1282 HydrophobicContact CD1-CH2 4.34Å; I1199-W1282 HydrophobicContact CD1-CZ3 4.27Å; I1199-W1282 HydrophobicContact CG2-CH2 3.55Å; I1199-W1282 HydrophobicContact CG2-CZ2 4.08Å; I1199-W1282 HydrophobicContact CG2-CZ3 4.05Å; Q1278-W1282 PolarHBondContact O-N 2.95Å; F1279-W1282 AromaticContact CD2-CE3 3.95Å; F1279-W1282 HydrophobicContact CD2-CE3 3.95Å; F1279-W1282 HydrophobicContact CD2-CZ3 4.23Å; F1279-W1282 HydrophobicContact CE2-CE3 4.01Å; F1279-W1282 AromaticContact CE2-CZ3 3.83Å; F1279-W1282 HydrophobicContact CE2-CZ3 3.83Å; F1279-W1282 PolarHBondContact O-N 3.17Å; W1282-G1284 PolarHBondContact O-N 2.88Å; W1282-G1284 VanDerWaalsContact O-N 3.13Å
1283L91.9Very high82.1Confident1 Ų151.2 Ų51.21%0.00528%0.278CS..Hα-helixtrans-58.2-22.9168.8-76.5176.1000111.8L1195 R1198 I1199 V1260 I1264 F1279 M1280L1195-L1283 WeakPolarHBondContact CD2-O 3.45Å; R1198-L1283 PolarHBondContact NH1-O 3.41Å; R1198-L1283 PolarHBondContact NH2-O 2.88Å; I1199-L1283 HydrophobicContact CD1-CD2 3.74Å; V1260-L1283 HydrophobicContact CG1-CD1 4.1Å; I1264-L1283 HydrophobicContact CD1-CD1 4.35Å; I1264-L1283 HydrophobicContact CG1-CD1 4.31Å; F1279-L1283 HydrophobicContact CD1-CD1 4.23Å; F1279-L1283 HydrophobicContact CD2-CG 4.43Å; F1279-L1283 HydrophobicContact CE1-CD1 3.7Å; F1279-L1283 HydrophobicContact CE1-CG 4.44Å; F1279-L1283 HydrophobicContact CE2-CD1 4.16Å; F1279-L1283 HydrophobicContact CE2-CD2 4.28Å; F1279-L1283 HydrophobicContact CE2-CG 4.04Å; F1279-L1283 HydrophobicContact CZ-CD1 3.66Å; F1279-L1283 HydrophobicContact CZ-CD2 4.3Å; F1279-L1283 HydrophobicContact CZ-CG 4.05Å; F1279-L1283 WeakPolarHBondContact O-CG 3.42Å; F1279-L1283 PolarHBondContact O-N 3.47Å; M1280-L1283 PolarHBondContact O-N 3.29Å
1284G89.6Confident81.2Confident43 Ų4353.6 Ų53.644%0.44330%0.3SS..THydrogen-bonded Turntrans94.623.2177.900000113.9M1280 E1281 W1282M1280-G1284 PolarHBondContact O-N 2.92Å; E1281-G1284 VanDerWaalsContact O-CA 3.31Å; E1281-G1284 WeakPolarHBondContact O-CA 3.41Å; E1281-G1284 PolarHBondContact O-N 2.78Å; W1282-G1284 PolarHBondContact O-N 2.88Å; W1282-G1284 VanDerWaalsContact O-N 3.13Å
1285L89.8Confident80.7Confident6 Ų655.8 Ų55.83%0.03130%0.297CS..  trans-84.8142.3172.8-67.1164.4000110.6L1159 L1192 L1195 I1264 M1280 V1287L1159-L1285 HydrophobicContact CD1-CD1 3.75Å; L1159-L1285 HydrophobicContact CD1-CD2 4.43Å; L1192-L1285 HydrophobicContact CD2-CD2 4.07Å; L1195-L1285 HydrophobicContact CD1-CD2 3.64Å; L1195-L1285 HydrophobicContact CD1-CG 3.74Å; I1264-L1285 HydrophobicContact CD1-CD1 4.2Å; M1280-L1285 HydrophobicContact CB-CD1 4.19Å; M1280-L1285 HydrophobicContact CE-CD1 4.1Å; M1280-L1285 HydrophobicContact CG-CD1 4.27Å; M1280-L1285 WeakPolarHBondContact O-CB 3.42Å; M1280-L1285 PolarHBondContact O-N 3.06Å; L1285-V1287 VanDerWaalsContact C-N 3.28Å; L1285-V1287 HydrophobicContact CB-CG1 4.09Å; L1285-V1287 PolarHBondContact O-N 3.23Å
1286S84.6Confident80.2Confident29 Ų2955.3 Ų55.320%0.20330%0.295CS..SBendtrans-74.173.1176.6-61.30000112.1C1166 E1186C1166-S1286 WeakPolarHBondContact CB-O 3.35Å; C1166-S1286 PolarHBondContact SG-O 2.87Å; E1186-S1286 PolarHBondContact OE1-OG 3.25Å; E1186-S1286 WeakPolarHBondContact OE2-CB 3.38Å; E1186-S1286 PolarHBondContact OE2-N 2.81Å; E1186-S1286 PolarHBondContact OE2-OG 2.95Å
1287V82.4Confident79.6Confident9 Ų957.5 Ų57.56%0.05531%0.313CS..  trans-111.1-36.5-176.6-67.10000116.1A1162 V1163 C1166 L1277 M1280 E1281 L1285A1162-V1287 HydrophobicContact CB-CB 4.24Å; A1162-V1287 HydrophobicContact CB-CG1 3.82Å; V1163-V1287 HydrophobicContact CG2-CG1 3.97Å; C1166-V1287 WeakPolarHBondContact CB-O 3.42Å; L1277-V1287 HydrophobicContact CD2-CB 3.97Å; L1277-V1287 HydrophobicContact CD2-CG2 4.22Å; M1280-V1287 HydrophobicContact CB-CG1 4.26Å; M1280-V1287 HydrophobicContact CB-CG2 3.63Å; M1280-V1287 HydrophobicContact CE-CG1 3.79Å; M1280-V1287 HydrophobicContact SD-CG1 4.47Å; E1281-V1287 HydrophobicContact CB-CG2 4.42Å; L1285-V1287 VanDerWaalsContact C-N 3.28Å; L1285-V1287 HydrophobicContact CB-CG1 4.09Å; L1285-V1287 PolarHBondContact O-N 3.23Å
1288I74.7Confident79.2Confident65 Ų6558.2 Ų58.233%0.33332%0.319SS..  trans-88.4127.7179.2-63-172.9000109.7L1277 E1281L1277-I1288 HydrophobicContact CB-CD1 4.33Å; L1277-I1288 HydrophobicContact CB-CG1 4.27Å; E1281-I1288 HydrophobicContact CB-CD1 4.23Å; E1281-I1288 HydrophobicContact CB-CG1 4.41Å
1289C63.9Low78.5Confident36 Ų3657 Ų5724%0.24332%0.317CS..  trans-125.8115.2-179.2-161.40000110.8K1169 A1291K1169-C1289 HydrophobicContact CB-CB 4.27Å; K1169-C1289 HydrophobicContact CD-CB 4.37Å; C1289-A1291 PolarHBondContact O-N 3.39Å
1290K65Low78Confident199 Ų19959.5 Ų59.587%0.86533%0.334SS*.  trans-84.59.9175.9-62-178.8-178.9176.40113.3
1291A60.2Low77.4Confident44 Ų4463.1 Ų63.136%0.36436%0.364SS..  trans-77.2128.817600000110.6C1289C1289-A1291 PolarHBondContact O-N 3.39Å
1292E64.4Low77Confident191 Ų19162.9 Ų62.989%0.89337%0.369SS*.  trans-65.7151.5171.7-64.4-177.1160.300110.9
1293M68.8Low76.3Confident64 Ų6462.1 Ų62.132%0.31537%0.372SS..  trans-87.1114.6179.8-62.6-139.76500110.7F1168 K1169 L1471F1168-M1293 HydrophobicContact CD1-CE 4.28Å; F1168-M1293 HydrophobicContact CE1-CE 3.88Å; K1169-M1293 HydrophobicContact CD-SD 4.4Å; K1169-M1293 WeakPolarHBondContact CE-SD 3.42Å; K1169-M1293 HydrophobicContact CG-CE 4.17Å; K1169-M1293 HydrophobicContact CG-SD 4.47Å; M1293-L1471 HydrophobicContact CE-CD1 4.2Å; M1293-L1471 HydrophobicContact CE-CD2 3.51Å; M1293-L1471 HydrophobicContact CE-CG 4.42Å; M1293-L1471 HydrophobicContact SD-CD2 3.77Å
1294S67.4Low75.9Confident94 Ų9463.2 Ų63.266%0.65738%0.377SS*.PPolyproline II helixtrans-76.1131.2169.556.70000111
1295E72.7Confident75.7Confident117 Ų11764 Ų6455%0.54737%0.369SS..PPolyproline II helixtrans-59.3151.8168.6-67.9-174.6-126.100111.8A1297 H1326E1295-A1297 PolarHBondContact O-N 2.67Å; E1295-H1326 IonicContact OE1-CE1 2.69Å; E1295-H1326 PolarHBondContact OE1-CE1 2.92Å; E1295-H1326 IonicContact OE1-ND1 2.62Å; E1295-H1326 PolarHBondContact OE1-ND1 3.36Å; E1295-H1326 IonicContact OE2-CE1 3.62Å; E1295-H1326 IonicContact OE2-CG 2.76Å; E1295-H1326 IonicContact OE2-ND1 3.8Å; E1295-H1326 PolarHBondContact OE2-ND1 2.93Å
1296P75.2Confident75.3Confident11 Ų1169.8 Ų69.87%0.07140%0.396CS..PPolyproline II helixtrans-62134.6-178.7-21.933.7000112.1V1298 A1328 Y1329 V1344P1296-V1298 PolarHBondContact O-N 3.05Å; P1296-A1328 HydrophobicContact CB-CB 4.13Å; P1296-A1328 HydrophobicContact CG-CB 4.08Å; P1296-Y1329 VanDerWaalsContact CD-CE1 3.43Å; P1296-Y1329 HydrophobicContact CG-CD1 3.33Å; P1296-Y1329 HydrophobicContact CG-CE1 3.53Å; P1296-Y1329 HydrophobicContact CG-CG 4.18Å; P1296-V1344 HydrophobicContact CB-CG1 3.56Å
1297A76.6Confident75.2Confident46 Ų4668.8 Ų68.838%0.3839%0.389SS..  trans-65.8107.1-178.400000111.2E1295 V1344 F1345E1295-A1297 PolarHBondContact O-N 2.67Å; A1297-V1344 CarbonylContact O-C 3.47Å; A1297-V1344 WeakPolarHBondContact O-CA 3.33Å; A1297-V1344 WeakPolarHBondContact O-CG1 3.28Å; A1297-F1345 HydrophobicContact CB-CB 4.5Å; A1297-F1345 HydrophobicContact CB-CD2 3.92Å; A1297-F1345 VanDerWaalsContact O-CD2 3.26Å; A1297-F1345 WeakPolarHBondContact O-CD2 3.45Å; A1297-F1345 PolarHBondContact O-N 3.19Å
1298V80.4Confident75.3Confident59 Ų5968.4 Ų68.436%0.35839%0.386SS..BIsolated β-bridgetrans-80.9145.4176.5-63.60000112P1296 L1304 A1328P1296-V1298 PolarHBondContact O-N 3.05Å; V1298-L1304 HydrophobicContact CG1-CD2 4.21Å; V1298-A1328 HydrophobicContact CG1-CB 3.88Å
1299T73.7Confident75.7Confident42 Ų4271.1 Ų71.126%0.25840%0.396SS..SBendtrans-71.2-37.6175.9590000112.1P1342 A1343 F1345T1299-P1342 WeakPolarHBondContact CG2-O 3.44Å; T1299-A1343 PolarHBondContact N-O 3.16Å; T1299-A1343 PolarHBondContact OG1-O 3.38Å; T1299-F1345 HydrophobicContact CG2-CD1 4.17Å; T1299-F1345 HydrophobicContact CG2-CD2 4.31Å; T1299-F1345 HydrophobicContact CG2-CE1 3.87Å; T1299-F1345 HydrophobicContact CG2-CE2 4.02Å; T1299-F1345 HydrophobicContact CG2-CG 4.38Å; T1299-F1345 HydrophobicContact CG2-CZ 3.79Å
1300S80.5Confident76.3Confident52 Ų5271.2 Ų71.236%0.36439%0.391SS..  trans-166.9156.9160.865.90000109.5V1302 A1303 L1304S1300-V1302 PolarHBondContact O-N 3.45Å; S1300-A1303 PolarHBondContact O-N 3.38Å; S1300-A1303 WeakPolarHBondContact OG-CB 3.29Å; S1300-A1303 PolarHBondContact OG-N 2.71Å; S1300-A1303 VanDerWaalsContact OG-N 3.09Å; S1300-L1304 PolarHBondContact O-N 3.12Å
1301A81Confident76.9Confident77 Ų7763.5 Ų63.564%0.63636%0.359SS*.Hα-helixtrans-59.9-33.5174.100000112.7E1305A1301-E1305 WeakPolarHBondContact O-CB 3.38Å; A1301-E1305 PolarHBondContact O-N 3.06Å; A1301-E1305 VanDerWaalsContact O-N 3.13Å
1302V81.7Confident77.8Confident96 Ų9664 Ų6458%0.58235%0.354SS*.Hα-helixtrans-65.8-48.6177-178.10000110.9S1300 L1304 E1305 E1306S1300-V1302 PolarHBondContact O-N 3.45Å; V1302-L1304 VanDerWaalsContact C-N 3.27Å; V1302-L1304 PolarHBondContact O-N 3.46Å; V1302-E1305 PolarHBondContact O-N 3.35Å; V1302-E1306 HydrophobicContact CG1-CG 4.21Å; V1302-E1306 WeakPolarHBondContact O-CB 3.41Å; V1302-E1306 WeakPolarHBondContact O-CG 3.47Å; V1302-E1306 PolarHBondContact O-N 3Å
1303A77.1Confident78.9Confident24 Ų2455 Ų5520%0.19831%0.312CS..Hα-helixtrans-64.4-30.6-179.700000113.3S1300 T1307S1300-A1303 PolarHBondContact O-N 3.38Å; S1300-A1303 WeakPolarHBondContact OG-CB 3.29Å; S1300-A1303 PolarHBondContact OG-N 2.71Å; S1300-A1303 VanDerWaalsContact OG-N 3.09Å; A1303-T1307 VanDerWaalsContact O-CB 3.27Å; A1303-T1307 WeakPolarHBondContact O-CB 3.49Å; A1303-T1307 PolarHBondContact O-N 2.86Å; A1303-T1307 VanDerWaalsContact O-N 3.12Å; A1303-T1307 PolarHBondContact O-OG1 2.89Å
1304L84.9Confident79.8Confident24 Ų2454.9 Ų54.913%0.12631%0.31CS..Hα-helixtrans-66.1-52.8171.9-174.972.1000110.9V1298 S1300 V1302 E1306 T1307 W1308 R1327 A1328 V1331 A1343V1298-L1304 HydrophobicContact CG1-CD2 4.21Å; S1300-L1304 PolarHBondContact O-N 3.12Å; V1302-L1304 VanDerWaalsContact C-N 3.27Å; V1302-L1304 PolarHBondContact O-N 3.46Å; L1304-E1306 PolarHBondContact O-N 3.01Å; L1304-T1307 WeakPolarHBondContact O-CB 3.34Å; L1304-T1307 PolarHBondContact O-N 2.85Å; L1304-T1307 VanDerWaalsContact O-N 3.15Å; L1304-W1308 WeakPolarHBondContact O-CB 3.46Å; L1304-W1308 PolarHBondContact O-N 2.82Å; L1304-R1327 HydrophobicContact CD2-CB 4.17Å; L1304-A1328 HydrophobicContact CD2-CB 4.41Å; L1304-V1331 HydrophobicContact CD1-CB 3.94Å; L1304-V1331 HydrophobicContact CD1-CG1 4.09Å; L1304-V1331 HydrophobicContact CD1-CG2 3.76Å; L1304-A1343 HydrophobicContact CD1-CB 4.37Å
1305E84.9Confident80.8Confident60 Ų6055.5 Ų55.528%0.2830%0.301SS..Hα-helixtrans-67.4-35.9-177.2-174.962.5-171.500112.7A1301 V1302 K1309 R1327A1301-E1305 WeakPolarHBondContact O-CB 3.38Å; A1301-E1305 PolarHBondContact O-N 3.06Å; A1301-E1305 VanDerWaalsContact O-N 3.13Å; V1302-E1305 PolarHBondContact O-N 3.35Å; E1305-K1309 HydrophobicContact CG-CD 4.29Å; E1305-K1309 PolarHBondContact O-N 2.7Å; E1305-K1309 VanDerWaalsContact O-N 3.1Å; E1305-K1309 WeakPolarHBondContact OE1-CE 3.39Å; E1305-K1309 IonicContact OE1-NZ 3Å; E1305-K1309 PolarHBondContact OE1-NZ 2.8Å; E1305-R1327 IonicContact OE1-NH1 3.63Å; E1305-R1327 IonicContact OE2-NH1 3.8Å; E1305-R1327 PolarHBondContact OE2-NH1 2.99Å
1306E81Confident81.6Confident126 Ų12650 Ų5059%0.58928%0.275SS*.Hα-helixtrans-62.2-44169.7-75.5-178.8163.200111.5V1302 L1304 R1310V1302-E1306 HydrophobicContact CG1-CG 4.21Å; V1302-E1306 WeakPolarHBondContact O-CB 3.41Å; V1302-E1306 WeakPolarHBondContact O-CG 3.47Å; V1302-E1306 PolarHBondContact O-N 3Å; L1304-E1306 PolarHBondContact O-N 3.01Å; E1306-R1310 WeakPolarHBondContact O-CB 3.23Å; E1306-R1310 PolarHBondContact O-N 2.9Å
1307T82.4Confident82.5Confident9 Ų950.2 Ų50.26%0.05528%0.276CS..Hα-helixtrans-64.8-42.8177.3-72.90000112.1A1303 L1304 R1310 L1311 V1331 M1406A1303-T1307 VanDerWaalsContact O-CB 3.27Å; A1303-T1307 WeakPolarHBondContact O-CB 3.49Å; A1303-T1307 PolarHBondContact O-N 2.86Å; A1303-T1307 VanDerWaalsContact O-N 3.12Å; A1303-T1307 PolarHBondContact O-OG1 2.89Å; L1304-T1307 WeakPolarHBondContact O-CB 3.34Å; L1304-T1307 PolarHBondContact O-N 2.85Å; L1304-T1307 VanDerWaalsContact O-N 3.15Å; T1307-R1310 PolarHBondContact O-N 3.31Å; T1307-R1310 PolarHBondContact OG1-NH2 3.14Å; T1307-L1311 HydrophobicContact CG2-CD1 3.98Å; T1307-L1311 PolarHBondContact O-N 3.2Å; T1307-V1331 HydrophobicContact CG2-CG1 4.07Å; T1307-M1406 HydrophobicContact CG2-SD 3.83Å
1308W85.3Confident83.1Confident0 Ų055.4 Ų55.40%029%0.292CS..Hα-helixtrans-56-55.9176.8-164.7-89.8000111.6L1304 R1310 L1311 Q1312 L1313 E1314 E1317 F1324 R1327 L1330 V1331L1304-W1308 WeakPolarHBondContact O-CB 3.46Å; L1304-W1308 PolarHBondContact O-N 2.82Å; W1308-R1310 PolarHBondContact O-N 3.29Å; W1308-L1311 PolarHBondContact O-N 3.06Å; W1308-Q1312 WeakPolarHBondContact O-CA 3.49Å; W1308-Q1312 PolarHBondContact O-N 2.69Å; W1308-L1313 HydrophobicContact CD2-CB 3.82Å; W1308-L1313 HydrophobicContact CD2-CD1 4.07Å; W1308-L1313 HydrophobicContact CD2-CG 4.48Å; W1308-L1313 HydrophobicContact CE3-CB 3.95Å; W1308-L1313 HydrophobicContact CE3-CD1 3.5Å; W1308-L1313 VanDerWaalsContact CE3-CD1 3.5Å; W1308-L1313 HydrophobicContact CE3-CG 4.32Å; W1308-L1313 HydrophobicContact CG-CB 4.37Å; W1308-L1313 HydrophobicContact CH2-CB 4.19Å; W1308-L1313 HydrophobicContact CZ2-CB 4.09Å; W1308-L1313 HydrophobicContact CZ3-CB 4.11Å; W1308-L1313 HydrophobicContact CZ3-CD1 3.84Å; W1308-L1313 PolarHBondContact O-N 3.25Å; W1308-E1314 PolarHBondContact NE1-OE1 3.11Å; W1308-E1317 VanDerWaalsContact CZ2-CD 3.49Å; W1308-E1317 HydrophobicContact CZ2-CG 4.42Å; W1308-E1317 WeakPolarHBondContact CZ2-OE1 3.32Å; W1308-E1317 WeakPolarHBondContact CZ2-OE2 3.21Å; W1308-F1324 HydrophobicContact CH2-CB 4.48Å; W1308-R1327 HydrophobicContact CD2-CB 4.35Å; W1308-R1327 HydrophobicContact CD2-CG 4.13Å; W1308-R1327 HydrophobicContact CE3-CB 3.67Å; W1308-R1327 HydrophobicContact CE3-CG 3.89Å; W1308-R1327 HydrophobicContact CH2-CB 3.96Å; W1308-R1327 HydrophobicContact CH2-CG 3.62Å; W1308-R1327 HydrophobicContact CZ2-CG 3.83Å; W1308-R1327 HydrophobicContact CZ3-CB 3.47Å; W1308-R1327 VanDerWaalsContact CZ3-CB 3.47Å; W1308-R1327 HydrophobicContact CZ3-CG 3.65Å; W1308-R1327 WeakPolarHBondContact CZ3-O 3.43Å; W1308-L1330 HydrophobicContact CH2-CD2 3.8Å; W1308-L1330 HydrophobicContact CZ3-CB 4.22Å; W1308-L1330 HydrophobicContact CZ3-CD2 3.98Å; W1308-L1330 HydrophobicContact CZ3-CG 4.49Å; W1308-V1331 HydrophobicContact CE3-CG2 3.9Å; W1308-V1331 HydrophobicContact CZ3-CG2 4.21Å
1309K81.9Confident83.5Confident122 Ų12255.2 Ų55.253%0.5329%0.291SS..Hα-helixtrans-65.9-36.3178.6-76.7165166.1147.80113.6E1305E1305-K1309 HydrophobicContact CG-CD 4.29Å; E1305-K1309 PolarHBondContact O-N 2.7Å; E1305-K1309 VanDerWaalsContact O-N 3.1Å; E1305-K1309 WeakPolarHBondContact OE1-CE 3.39Å; E1305-K1309 IonicContact OE1-NZ 3Å; E1305-K1309 PolarHBondContact OE1-NZ 2.8Å
1310R76.4Confident84.3Confident39 Ų3953.3 Ų53.315%0.14728%0.279CS..Hα-helixtrans-63.7-42177.9178.1173.555.999.216.6111.5E30 K36 E1306 T1307 W1308 Y1339E30-R1310 VanDerWaalsContact OE2-CD 3.3Å; E30-R1310 WeakPolarHBondContact OE2-CD 3.41Å; E30-R1310 IonicContact OE2-CZ 2.75Å; E30-R1310 IonicContact OE2-NE 3.5Å; E30-R1310 IonicContact OE2-NH1 3.73Å; E30-R1310 PolarHBondContact OE2-NH1 2.98Å; K36-R1310 PolarHBondContact NZ-O 3.41Å; E1306-R1310 WeakPolarHBondContact O-CB 3.23Å; E1306-R1310 PolarHBondContact O-N 2.9Å; T1307-R1310 PolarHBondContact O-N 3.31Å; T1307-R1310 PolarHBondContact OG1-NH2 3.14Å; W1308-R1310 PolarHBondContact O-N 3.29Å; R1310-Y1339 PolarHBondContact NH1-OH 3.49Å; R1310-Y1339 PolarHBondContact NH2-OH 3.48Å
1311L77.8Confident84.8Confident36 Ų3659.8 Ų59.819%0.18830%0.295CS..Hα-helixtrans-86.5-21.3178.5-64.8175.5000113.9T1307 W1308 L1313 M1406T1307-L1311 HydrophobicContact CG2-CD1 3.98Å; T1307-L1311 PolarHBondContact O-N 3.2Å; W1308-L1311 PolarHBondContact O-N 3.06Å; L1311-L1313 HydrophobicContact CB-CD2 4.12Å; L1311-L1313 HydrophobicContact CB-CG 4.04Å; L1311-L1313 HydrophobicContact CD1-CD2 4.49Å; L1311-M1406 HydrophobicContact CD1-CE 4Å; L1311-M1406 HydrophobicContact CD1-CG 3.66Å; L1311-M1406 HydrophobicContact CD1-SD 3.52Å; L1311-M1406 VanDerWaalsContact CD1-SD 3.52Å
1312Q80.5Confident85.4Confident56 Ų5657.7 Ų57.726%0.26227%0.271SS..THydrogen-bonded Turntrans61.654.5-171.7-60.9-179.3-27.100112.1W1308 E1314 K1315W1308-Q1312 WeakPolarHBondContact O-CA 3.49Å; W1308-Q1312 PolarHBondContact O-N 2.69Å; Q1312-E1314 WeakPolarHBondContact CA-OE2 3.33Å; Q1312-E1314 PolarHBondContact O-N 3.33Å; Q1312-K1315 HydrophobicContact CB-CD 4.09Å; Q1312-K1315 HydrophobicContact CB-CG 4.37Å; Q1312-K1315 WeakPolarHBondContact O-CB 2.93Å; Q1312-K1315 PolarHBondContact O-N 2.98Å
1313L87.1Confident86Confident0 Ų060.7 Ų60.70%028%0.279CS..THydrogen-bonded Turntrans-65.3-19.3-178.7-66.9177.7000112.9W1308 L1311 K1315 F1316 E1317 L1330 V1331 L1334 Y1404W1308-L1313 HydrophobicContact CD2-CB 3.82Å; W1308-L1313 HydrophobicContact CD2-CD1 4.07Å; W1308-L1313 HydrophobicContact CD2-CG 4.48Å; W1308-L1313 HydrophobicContact CE3-CB 3.95Å; W1308-L1313 HydrophobicContact CE3-CD1 3.5Å; W1308-L1313 VanDerWaalsContact CE3-CD1 3.5Å; W1308-L1313 HydrophobicContact CE3-CG 4.32Å; W1308-L1313 HydrophobicContact CG-CB 4.37Å; W1308-L1313 HydrophobicContact CH2-CB 4.19Å; W1308-L1313 HydrophobicContact CZ2-CB 4.09Å; W1308-L1313 HydrophobicContact CZ3-CB 4.11Å; W1308-L1313 HydrophobicContact CZ3-CD1 3.84Å; W1308-L1313 PolarHBondContact O-N 3.25Å; L1311-L1313 HydrophobicContact CB-CD2 4.12Å; L1311-L1313 HydrophobicContact CB-CG 4.04Å; L1311-L1313 HydrophobicContact CD1-CD2 4.49Å; L1313-K1315 PolarHBondContact O-N 3.4Å; L1313-F1316 HydrophobicContact CD2-CB 4.49Å; L1313-F1316 CarbonylContact O-C 3.57Å; L1313-F1316 WeakPolarHBondContact O-CA 3.47Å; L1313-F1316 WeakPolarHBondContact O-CB 3.36Å; L1313-F1316 PolarHBondContact O-N 3.19Å; L1313-E1317 PolarHBondContact O-N 2.91Å; L1313-L1330 HydrophobicContact CB-CD2 4.21Å; L1313-L1330 HydrophobicContact CD1-CD2 4.45Å; L1313-V1331 HydrophobicContact CD1-CG2 3.65Å; L1313-L1334 HydrophobicContact CD2-CD1 3.69Å; L1313-Y1404 HydrophobicContact CD2-CD1 3.85Å; L1313-Y1404 HydrophobicContact CD2-CG 4.38Å
1314E87.9Confident86.7Confident62 Ų6260 Ų6029%0.2927%0.271SS..Hα-helixtrans-57.9-30.4170.1-45.886.7165.700111.7W1308 Q1312 E1317 H1318W1308-E1314 PolarHBondContact NE1-OE1 3.11Å; Q1312-E1314 WeakPolarHBondContact CA-OE2 3.33Å; Q1312-E1314 PolarHBondContact O-N 3.33Å; E1314-E1317 WeakPolarHBondContact CA-OE2 3.29Å; E1314-H1318 PolarHBondContact O-CD2 3.47Å; E1314-H1318 PolarHBondContact O-N 2.83Å; E1314-H1318 VanDerWaalsContact O-N 3.16Å
1315K87.2Confident87Confident108 Ų10865.4 Ų65.447%0.4729%0.294SS..Hα-helixtrans-77.5-23.8174.5-64.5179.4177.9173.40113Q1312 L1313 V1319Q1312-K1315 HydrophobicContact CB-CD 4.09Å; Q1312-K1315 HydrophobicContact CB-CG 4.37Å; Q1312-K1315 WeakPolarHBondContact O-CB 2.93Å; Q1312-K1315 PolarHBondContact O-N 2.98Å; L1313-K1315 PolarHBondContact O-N 3.4Å; K1315-V1319 WeakPolarHBondContact O-CG2 3.35Å; K1315-V1319 PolarHBondContact O-N 3.26Å
1316F90.9Very high87.3Confident0 Ų065.9 Ų65.90%030%0.296CS..Hα-helixtrans-80.3-37.6174.5-167.8-123.2000110.5L1313 H1318 V1319 L1320 L1330 L1334 Y1401 Y1404 V1465L1313-F1316 HydrophobicContact CD2-CB 4.49Å; L1313-F1316 CarbonylContact O-C 3.57Å; L1313-F1316 WeakPolarHBondContact O-CA 3.47Å; L1313-F1316 WeakPolarHBondContact O-CB 3.36Å; L1313-F1316 PolarHBondContact O-N 3.19Å; F1316-H1318 VanDerWaalsContact C-N 3.31Å; F1316-H1318 PolarHBondContact O-N 3.12Å; F1316-V1319 HydrophobicContact CD2-CB 4.34Å; F1316-V1319 HydrophobicContact CD2-CG1 4.42Å; F1316-V1319 HydrophobicContact CE2-CG1 4.45Å; F1316-V1319 CarbonylContact O-C 3.51Å; F1316-V1319 WeakPolarHBondContact O-CA 3.39Å; F1316-V1319 WeakPolarHBondContact O-CB 3.43Å; F1316-V1319 PolarHBondContact O-N 2.88Å; F1316-L1320 HydrophobicContact CD1-CD1 3.93Å; F1316-L1320 HydrophobicContact CD1-CG 4.39Å; F1316-L1320 HydrophobicContact CE1-CD1 3.8Å; F1316-L1320 HydrophobicContact CE1-CD2 4.34Å; F1316-L1320 HydrophobicContact CE1-CG 4.2Å; F1316-L1320 HydrophobicContact CZ-CD1 4.37Å; F1316-L1320 HydrophobicContact CZ-CD2 4.11Å; F1316-L1320 HydrophobicContact CZ-CG 4.3Å; F1316-L1320 WeakPolarHBondContact O-CG 3.36Å; F1316-L1320 PolarHBondContact O-N 2.92Å; F1316-L1330 HydrophobicContact CD1-CD1 3.9Å; F1316-L1330 HydrophobicContact CD1-CD2 4.27Å; F1316-L1330 HydrophobicContact CE1-CD1 3.9Å; F1316-L1334 HydrophobicContact CD1-CD1 4.16Å; F1316-L1334 HydrophobicContact CE1-CD1 4.2Å; F1316-L1334 HydrophobicContact CE1-CD2 4.29Å; F1316-Y1401 HydrophobicContact CE2-CD1 4.4Å; F1316-Y1401 AromaticContact CE2-CD2 3.64Å; F1316-Y1401 HydrophobicContact CE2-CD2 3.64Å; F1316-Y1401 AromaticContact CE2-CE2 3.92Å; F1316-Y1401 HydrophobicContact CE2-CE2 3.92Å; F1316-Y1401 AromaticContact CE2-CG 3.89Å; F1316-Y1401 HydrophobicContact CE2-CG 3.89Å; F1316-Y1401 AromaticContact CZ-CD1 3.68Å; F1316-Y1401 HydrophobicContact CZ-CD1 3.68Å; F1316-Y1401 AromaticContact CZ-CD2 3.7Å; F1316-Y1401 HydrophobicContact CZ-CD2 3.7Å; F1316-Y1401 AromaticContact CZ-CE1 3.78Å; F1316-Y1401 HydrophobicContact CZ-CE1 3.78Å; F1316-Y1401 AromaticContact CZ-CE2 3.8Å; F1316-Y1401 HydrophobicContact CZ-CE2 3.8Å; F1316-Y1401 AromaticContact CZ-CG 3.63Å; F1316-Y1401 HydrophobicContact CZ-CG 3.63Å; F1316-Y1401 AromaticContact CZ-CZ 3.84Å; F1316-Y1404 HydrophobicContact CB-CD1 4.19Å; F1316-Y1404 HydrophobicContact CB-CD2 4.13Å; F1316-Y1404 HydrophobicContact CB-CE1 3.97Å; F1316-Y1404 HydrophobicContact CB-CE2 3.94Å; F1316-Y1404 HydrophobicContact CB-CG 4.25Å; F1316-Y1404 AromaticContact CD2-CD2 3.44Å; F1316-Y1404 HydrophobicContact CD2-CD2 3.44Å; F1316-Y1404 VanDerWaalsContact CD2-CD2 3.44Å; F1316-Y1404 AromaticContact CD2-CE2 3.47Å; F1316-Y1404 HydrophobicContact CD2-CE2 3.47Å; F1316-Y1404 VanDerWaalsContact CD2-CE2 3.47Å; F1316-Y1404 HydrophobicContact CD2-CG 4.21Å; F1316-Y1404 HydrophobicContact CE2-CD2 4.02Å; F1316-Y1404 HydrophobicContact CE2-CE2 4.33Å; F1316-Y1404 AromaticContact CG-CD2 3.85Å; F1316-Y1404 HydrophobicContact CG-CD2 3.85Å; F1316-Y1404 AromaticContact CG-CE2 3.99Å; F1316-Y1404 HydrophobicContact CG-CE2 3.99Å; F1316-Y1404 HydrophobicContact CG-CG 4.17Å; F1316-V1465 HydrophobicContact CE1-CG1 4.45Å; F1316-V1465 HydrophobicContact CE1-CG2 4.35Å
1317E92.4Very high87.8Confident17 Ų1763.7 Ų63.78%0.07928%0.282CS..Hα-helixtrans-53.7-45.8166.2-70-179.1134.200111.9W1308 L1313 E1314 V1319 L1320 R1321 Y1322 F1324 L1330W1308-E1317 VanDerWaalsContact CZ2-CD 3.49Å; W1308-E1317 HydrophobicContact CZ2-CG 4.42Å; W1308-E1317 WeakPolarHBondContact CZ2-OE1 3.32Å; W1308-E1317 WeakPolarHBondContact CZ2-OE2 3.21Å; L1313-E1317 PolarHBondContact O-N 2.91Å; E1314-E1317 WeakPolarHBondContact CA-OE2 3.29Å; E1317-V1319 VanDerWaalsContact C-N 3.28Å; E1317-V1319 PolarHBondContact O-N 2.97Å; E1317-L1320 CarbonylContact O-C 3.58Å; E1317-L1320 PolarHBondContact O-N 3.34Å; E1317-R1321 WeakPolarHBondContact O-CA 3.47Å; E1317-R1321 PolarHBondContact O-N 3.23Å; E1317-Y1322 VanDerWaalsContact CA-O 3.24Å; E1317-Y1322 WeakPolarHBondContact CA-O 3.37Å; E1317-Y1322 WeakPolarHBondContact CB-O 3.44Å; E1317-Y1322 WeakPolarHBondContact CG-O 3.32Å; E1317-Y1322 PolarHBondContact O-N 2.76Å; E1317-Y1322 VanDerWaalsContact O-N 3.16Å; E1317-F1324 HydrophobicContact CG-CD2 4.18Å; E1317-F1324 PolarHBondContact OE1-N 3.32Å; E1317-L1330 HydrophobicContact CG-CD2 4.36Å
1318H90.4Very high88.2Confident155 Ų15563.5 Ų63.572%0.71828%0.282SS*.Hα-helixtrans-64.7-24.2172.3-69.6-40.7000114.9E1314 F1316E1314-H1318 PolarHBondContact O-CD2 3.47Å; E1314-H1318 PolarHBondContact O-N 2.83Å; E1314-H1318 VanDerWaalsContact O-N 3.16Å; F1316-H1318 VanDerWaalsContact C-N 3.31Å; F1316-H1318 PolarHBondContact O-N 3.12Å
1319V88.9Confident88.5Confident55 Ų5564.2 Ų64.233%0.33328%0.284SS..Hα-helixtrans-77.9-43.2173.3163.80000110.8K1315 F1316 E1317 R1321 H1399K1315-V1319 WeakPolarHBondContact O-CG2 3.35Å; K1315-V1319 PolarHBondContact O-N 3.26Å; F1316-V1319 HydrophobicContact CD2-CB 4.34Å; F1316-V1319 HydrophobicContact CD2-CG1 4.42Å; F1316-V1319 HydrophobicContact CE2-CG1 4.45Å; F1316-V1319 CarbonylContact O-C 3.51Å; F1316-V1319 WeakPolarHBondContact O-CA 3.39Å; F1316-V1319 WeakPolarHBondContact O-CB 3.43Å; F1316-V1319 PolarHBondContact O-N 2.88Å; E1317-V1319 VanDerWaalsContact C-N 3.28Å; E1317-V1319 PolarHBondContact O-N 2.97Å; V1319-R1321 VanDerWaalsContact C-N 3.26Å; V1319-R1321 PolarHBondContact O-N 3.11Å; V1319-H1399 HydrophobicContact CG1-CB 4.23Å; V1319-H1399 WeakPolarHBondContact CG1-O 3.47Å
1320L90.7Very high89.1Confident2 Ų258.4 Ų58.41%0.0126%0.259CS..Hα-helixtrans-68.2-25.5174.4-62.9173000112.1F1316 E1317 F1324 Y1401 V1465 I1469 T1483 M1487F1316-L1320 HydrophobicContact CD1-CD1 3.93Å; F1316-L1320 HydrophobicContact CD1-CG 4.39Å; F1316-L1320 HydrophobicContact CE1-CD1 3.8Å; F1316-L1320 HydrophobicContact CE1-CD2 4.34Å; F1316-L1320 HydrophobicContact CE1-CG 4.2Å; F1316-L1320 HydrophobicContact CZ-CD1 4.37Å; F1316-L1320 HydrophobicContact CZ-CD2 4.11Å; F1316-L1320 HydrophobicContact CZ-CG 4.3Å; F1316-L1320 WeakPolarHBondContact O-CG 3.36Å; F1316-L1320 PolarHBondContact O-N 2.92Å; E1317-L1320 CarbonylContact O-C 3.58Å; E1317-L1320 PolarHBondContact O-N 3.34Å; L1320-F1324 HydrophobicContact CD1-CE2 3.99Å; L1320-Y1401 HydrophobicContact CD2-CE2 4.33Å; L1320-Y1401 WeakPolarHBondContact CD2-OH 3.42Å; L1320-V1465 HydrophobicContact CD1-CG1 3.98Å; L1320-V1465 HydrophobicContact CD2-CG1 4.07Å; L1320-I1469 HydrophobicContact CD1-CD1 4.46Å; L1320-T1483 HydrophobicContact CB-CG2 4.24Å; L1320-T1483 VanDerWaalsContact O-CG2 3.3Å; L1320-T1483 WeakPolarHBondContact O-CG2 3.24Å; L1320-M1487 HydrophobicContact CD2-CE 3.89Å
1321R90.5Very high89.9Confident187 Ų18756.5 Ų56.571%0.70625%0.252SS*.THydrogen-bonded Turntrans62.529.4-165.9-48178.4179.3-178.6-0.2112.8E1317 V1319E1317-R1321 WeakPolarHBondContact O-CA 3.47Å; E1317-R1321 PolarHBondContact O-N 3.23Å; V1319-R1321 VanDerWaalsContact C-N 3.26Å; V1319-R1321 PolarHBondContact O-N 3.11Å
1322Y93.7Very high90.6Very high33 Ų3355 Ų5513%0.12924%0.244CC..  trans-134.4135.6-179.7-175.8-97.8000110.5E1317 F1324 I1469 D1472 S1473 V1479E1317-Y1322 VanDerWaalsContact CA-O 3.24Å; E1317-Y1322 WeakPolarHBondContact CA-O 3.37Å; E1317-Y1322 WeakPolarHBondContact CB-O 3.44Å; E1317-Y1322 WeakPolarHBondContact CG-O 3.32Å; E1317-Y1322 PolarHBondContact O-N 2.76Å; E1317-Y1322 VanDerWaalsContact O-N 3.16Å; Y1322-F1324 HydrophobicContact CD1-CD1 4.48Å; Y1322-F1324 AromaticContact CD1-CD2 3.79Å; Y1322-F1324 HydrophobicContact CD1-CD2 3.79Å; Y1322-F1324 HydrophobicContact CD1-CE1 4.43Å; Y1322-F1324 AromaticContact CD1-CE2 3.74Å; Y1322-F1324 HydrophobicContact CD1-CE2 3.74Å; Y1322-F1324 HydrophobicContact CD1-CG 4.18Å; Y1322-F1324 HydrophobicContact CD1-CZ 4.09Å; Y1322-F1324 AromaticContact CE1-CD1 4Å; Y1322-F1324 HydrophobicContact CE1-CD1 4Å; Y1322-F1324 HydrophobicContact CE1-CD2 4.06Å; Y1322-F1324 HydrophobicContact CE1-CE1 4.16Å; Y1322-F1324 HydrophobicContact CE1-CE2 4.22Å; Y1322-F1324 AromaticContact CE1-CG 3.95Å; Y1322-F1324 HydrophobicContact CE1-CG 3.95Å; Y1322-F1324 HydrophobicContact CE1-CZ 4.28Å; Y1322-I1469 HydrophobicContact CD1-CD1 4.3Å; Y1322-I1469 HydrophobicContact CD1-CG1 3.94Å; Y1322-I1469 HydrophobicContact CD1-CG2 4.37Å; Y1322-I1469 HydrophobicContact CD2-CG2 4.37Å; Y1322-I1469 HydrophobicContact CE1-CG1 4.28Å; Y1322-I1469 HydrophobicContact CE1-CG2 4.32Å; Y1322-I1469 HydrophobicContact CE2-CG2 4.34Å; Y1322-I1469 HydrophobicContact CG-CD1 4.39Å; Y1322-I1469 HydrophobicContact CG-CG1 4.44Å; Y1322-I1469 HydrophobicContact CG-CG2 4.4Å; Y1322-D1472 HydrophobicContact CE1-CB 4.31Å; Y1322-D1472 PolarHBondContact OH-OD2 2.91Å; Y1322-S1473 PolarHBondContact OH-N 2.88Å; Y1322-V1479 HydrophobicContact CD2-CG1 3.76Å; Y1322-V1479 HydrophobicContact CE2-CG1 3.41Å; Y1322-V1479 VanDerWaalsContact CE2-CG1 3.41Å
1323E93.6Very high91.3Very high160 Ų16052.3 Ų52.375%0.74823%0.232SC*.  trans-108.9123.5178.5-177.3175.4-175.800109.3
1324F92.9Very high91.6Very high9 Ų952.3 Ų52.34%0.03923%0.232CC..  trans-84.8127.3-175.1-78-98.8000111.9W1308 E1317 L1320 Y1322 L1330 A1468 I1469 D1472W1308-F1324 HydrophobicContact CH2-CB 4.48Å; E1317-F1324 HydrophobicContact CG-CD2 4.18Å; E1317-F1324 PolarHBondContact OE1-N 3.32Å; L1320-F1324 HydrophobicContact CD1-CE2 3.99Å; Y1322-F1324 HydrophobicContact CD1-CD1 4.48Å; Y1322-F1324 AromaticContact CD1-CD2 3.79Å; Y1322-F1324 HydrophobicContact CD1-CD2 3.79Å; Y1322-F1324 HydrophobicContact CD1-CE1 4.43Å; Y1322-F1324 AromaticContact CD1-CE2 3.74Å; Y1322-F1324 HydrophobicContact CD1-CE2 3.74Å; Y1322-F1324 HydrophobicContact CD1-CG 4.18Å; Y1322-F1324 HydrophobicContact CD1-CZ 4.09Å; Y1322-F1324 AromaticContact CE1-CD1 4Å; Y1322-F1324 HydrophobicContact CE1-CD1 4Å; Y1322-F1324 HydrophobicContact CE1-CD2 4.06Å; Y1322-F1324 HydrophobicContact CE1-CE1 4.16Å; Y1322-F1324 HydrophobicContact CE1-CE2 4.22Å; Y1322-F1324 AromaticContact CE1-CG 3.95Å; Y1322-F1324 HydrophobicContact CE1-CG 3.95Å; Y1322-F1324 HydrophobicContact CE1-CZ 4.28Å; F1324-L1330 HydrophobicContact CD1-CB 4.18Å; F1324-L1330 HydrophobicContact CD2-CB 4.05Å; F1324-L1330 HydrophobicContact CD2-CD2 3.88Å; F1324-L1330 HydrophobicContact CD2-CG 4.42Å; F1324-L1330 HydrophobicContact CE1-CB 4.07Å; F1324-L1330 HydrophobicContact CE2-CB 3.93Å; F1324-L1330 HydrophobicContact CE2-CD1 3.92Å; F1324-L1330 HydrophobicContact CE2-CD2 3.83Å; F1324-L1330 HydrophobicContact CE2-CG 4.1Å; F1324-L1330 HydrophobicContact CG-CB 4.16Å; F1324-L1330 HydrophobicContact CZ-CB 3.93Å; F1324-L1330 HydrophobicContact CZ-CD1 4Å; F1324-L1330 HydrophobicContact CZ-CG 4.38Å; F1324-A1468 HydrophobicContact CE1-CB 3.98Å; F1324-A1468 HydrophobicContact CZ-CB 4.34Å; F1324-I1469 HydrophobicContact CE1-CG1 4.1Å; F1324-I1469 HydrophobicContact CE2-CG1 4.28Å; F1324-I1469 HydrophobicContact CZ-CD1 4.44Å; F1324-I1469 HydrophobicContact CZ-CG1 3.53Å; F1324-D1472 HydrophobicContact CD1-CB 3.77Å; F1324-D1472 HydrophobicContact CE1-CB 4.17Å
1325K91.1Very high91.7Very high138 Ų13849.4 Ų49.460%0.622%0.218SC*.SBendtrans-67.3-45.3171.5-55.8164.4-160.3151.10110.4D1472K1325-D1472 PolarHBondContact N-OD1 3.16Å; K1325-D1472 PolarHBondContact N-OD2 3.37Å; K1325-D1472 PolarHBondContact NZ-O 3.03Å
1326H90.3Very high91.8Very high69 Ų6944.3 Ų44.332%0.31920%0.196SC..SBendtrans-111.382.7-176.5-60.1-89.5000110E1295 A1328 Y1329 D1472E1295-H1326 IonicContact OE1-CE1 2.69Å; E1295-H1326 PolarHBondContact OE1-CE1 2.92Å; E1295-H1326 IonicContact OE1-ND1 2.62Å; E1295-H1326 PolarHBondContact OE1-ND1 3.36Å; E1295-H1326 IonicContact OE2-CE1 3.62Å; E1295-H1326 IonicContact OE2-CG 2.76Å; E1295-H1326 IonicContact OE2-ND1 3.8Å; E1295-H1326 PolarHBondContact OE2-ND1 2.93Å; H1326-A1328 PolarHBondContact O-N 2.82Å; H1326-Y1329 HydrophobicContact CB-CD2 3.67Å; H1326-Y1329 HydrophobicContact CB-CE2 3.77Å; H1326-Y1329 PolarHBondContact O-N 3.26Å; H1326-D1472 WeakPolarHBondContact CB-OD1 3.37Å; H1326-D1472 IonicContact CD2-OD1 3.72Å; H1326-D1472 IonicContact CG-OD1 2.71Å; H1326-D1472 PolarHBondContact N-OD1 3.24Å
1327R91Very high91.4Very high81 Ų8144.7 Ų44.731%0.30620%0.199SC..Hα-helixtrans-44.7-26.8179.6-67.7-172.2168.9-178.5-4.5115.4L1304 E1305 W1308 Y1329 V1331L1304-R1327 HydrophobicContact CD2-CB 4.17Å; E1305-R1327 IonicContact OE1-NH1 3.63Å; E1305-R1327 IonicContact OE2-NH1 3.8Å; E1305-R1327 PolarHBondContact OE2-NH1 2.99Å; W1308-R1327 HydrophobicContact CD2-CB 4.35Å; W1308-R1327 HydrophobicContact CD2-CG 4.13Å; W1308-R1327 HydrophobicContact CE3-CB 3.67Å; W1308-R1327 HydrophobicContact CE3-CG 3.89Å; W1308-R1327 HydrophobicContact CH2-CB 3.96Å; W1308-R1327 HydrophobicContact CH2-CG 3.62Å; W1308-R1327 HydrophobicContact CZ2-CG 3.83Å; W1308-R1327 HydrophobicContact CZ3-CB 3.47Å; W1308-R1327 VanDerWaalsContact CZ3-CB 3.47Å; W1308-R1327 HydrophobicContact CZ3-CG 3.65Å; W1308-R1327 WeakPolarHBondContact CZ3-O 3.43Å; R1327-Y1329 VanDerWaalsContact C-N 3.32Å; R1327-Y1329 PolarHBondContact O-N 3.15Å; R1327-V1331 WeakPolarHBondContact O-CG2 3.47Å; R1327-V1331 PolarHBondContact O-N 3.45Å
1328A90.9Very high90.8Very high5 Ų545 Ų454%0.04120%0.202CC..Hα-helixtrans-60.2-35.8176.600000113.4P1296 V1298 L1304 H1326 V1331 Q1332P1296-A1328 HydrophobicContact CB-CB 4.13Å; P1296-A1328 HydrophobicContact CG-CB 4.08Å; V1298-A1328 HydrophobicContact CG1-CB 3.88Å; L1304-A1328 HydrophobicContact CD2-CB 4.41Å; H1326-A1328 PolarHBondContact O-N 2.82Å; A1328-V1331 PolarHBondContact O-N 2.83Å; A1328-Q1332 PolarHBondContact O-N 2.85Å
1329Y93.2Very high90.3Very high14 Ų1438 Ų386%0.05517%0.17CC..Hα-helixtrans-63.8-48.1-178.9-69.7-54.5000112.1P1296 H1326 R1327 V1331 Q1332 A1333 M1351 L1471 D1472P1296-Y1329 VanDerWaalsContact CD-CE1 3.43Å; P1296-Y1329 HydrophobicContact CG-CD1 3.33Å; P1296-Y1329 HydrophobicContact CG-CE1 3.53Å; P1296-Y1329 HydrophobicContact CG-CG 4.18Å; H1326-Y1329 HydrophobicContact CB-CD2 3.67Å; H1326-Y1329 HydrophobicContact CB-CE2 3.77Å; H1326-Y1329 PolarHBondContact O-N 3.26Å; R1327-Y1329 VanDerWaalsContact C-N 3.32Å; R1327-Y1329 PolarHBondContact O-N 3.15Å; Y1329-V1331 VanDerWaalsContact C-N 3.31Å; Y1329-V1331 PolarHBondContact O-N 3.02Å; Y1329-Q1332 PolarHBondContact O-N 3.11Å; Y1329-A1333 PolarHBondContact O-N 2.92Å; Y1329-M1351 HydrophobicContact CD1-CE 3.57Å; Y1329-M1351 HydrophobicContact CG-CE 4.28Å; Y1329-L1471 HydrophobicContact CD1-CB 4.22Å; Y1329-L1471 HydrophobicContact CD1-CD1 4.01Å; Y1329-L1471 HydrophobicContact CD2-CB 4.38Å; Y1329-L1471 HydrophobicContact CE1-CB 3.91Å; Y1329-L1471 HydrophobicContact CE1-CD1 3.64Å; Y1329-L1471 HydrophobicContact CE1-CG 4.43Å; Y1329-L1471 HydrophobicContact CE2-CB 4.1Å; Y1329-L1471 HydrophobicContact CG-CB 4.46Å; Y1329-D1472 HydrophobicContact CD2-CB 4Å
1330L94.5Very high89.3Confident0 Ų036.6 Ų36.60%016%0.162CC..Hα-helixtrans-63.8-36.8178.1179.560.4000112.3W1308 L1313 F1316 E1317 F1324 A1333 L1334 V1465W1308-L1330 HydrophobicContact CH2-CD2 3.8Å; W1308-L1330 HydrophobicContact CZ3-CB 4.22Å; W1308-L1330 HydrophobicContact CZ3-CD2 3.98Å; W1308-L1330 HydrophobicContact CZ3-CG 4.49Å; L1313-L1330 HydrophobicContact CB-CD2 4.21Å; L1313-L1330 HydrophobicContact CD1-CD2 4.45Å; F1316-L1330 HydrophobicContact CD1-CD1 3.9Å; F1316-L1330 HydrophobicContact CD1-CD2 4.27Å; F1316-L1330 HydrophobicContact CE1-CD1 3.9Å; E1317-L1330 HydrophobicContact CG-CD2 4.36Å; F1324-L1330 HydrophobicContact CD1-CB 4.18Å; F1324-L1330 HydrophobicContact CD2-CB 4.05Å; F1324-L1330 HydrophobicContact CD2-CD2 3.88Å; F1324-L1330 HydrophobicContact CD2-CG 4.42Å; F1324-L1330 HydrophobicContact CE1-CB 4.07Å; F1324-L1330 HydrophobicContact CE2-CB 3.93Å; F1324-L1330 HydrophobicContact CE2-CD1 3.92Å; F1324-L1330 HydrophobicContact CE2-CD2 3.83Å; F1324-L1330 HydrophobicContact CE2-CG 4.1Å; F1324-L1330 HydrophobicContact CG-CB 4.16Å; F1324-L1330 HydrophobicContact CZ-CB 3.93Å; F1324-L1330 HydrophobicContact CZ-CD1 4Å; F1324-L1330 HydrophobicContact CZ-CG 4.38Å; L1330-A1333 PolarHBondContact O-N 2.83Å; L1330-L1334 HydrophobicContact CD1-CD1 3.87Å; L1330-L1334 HydrophobicContact CD1-CG 4.29Å; L1330-L1334 HydrophobicContact CG-CD1 4.09Å; L1330-L1334 WeakPolarHBondContact O-CG 3.47Å; L1330-L1334 PolarHBondContact O-N 3.01Å; L1330-V1465 HydrophobicContact CD1-CG1 4.49Å; L1330-V1465 HydrophobicContact CD1-CG2 4.24Å
1331V92.9Very high88.2Confident0 Ų040.4 Ų40.40%018%0.177CC..Hα-helixtrans-69.2-36.1177.6175.90000111.3L1304 T1307 W1308 L1313 R1327 A1328 Y1329 T1335 A1343 V1344 M1406L1304-V1331 HydrophobicContact CD1-CB 3.94Å; L1304-V1331 HydrophobicContact CD1-CG1 4.09Å; L1304-V1331 HydrophobicContact CD1-CG2 3.76Å; T1307-V1331 HydrophobicContact CG2-CG1 4.07Å; W1308-V1331 HydrophobicContact CE3-CG2 3.9Å; W1308-V1331 HydrophobicContact CZ3-CG2 4.21Å; L1313-V1331 HydrophobicContact CD1-CG2 3.65Å; R1327-V1331 WeakPolarHBondContact O-CG2 3.47Å; R1327-V1331 PolarHBondContact O-N 3.45Å; A1328-V1331 PolarHBondContact O-N 2.83Å; Y1329-V1331 VanDerWaalsContact C-N 3.31Å; Y1329-V1331 PolarHBondContact O-N 3.02Å; V1331-T1335 WeakPolarHBondContact O-CB 3.4Å; V1331-T1335 PolarHBondContact O-N 2.97Å; V1331-T1335 PolarHBondContact O-OG1 3.17Å; V1331-A1343 HydrophobicContact CG1-CB 4.13Å; V1331-V1344 HydrophobicContact CB-CG2 4.23Å; V1331-V1344 HydrophobicContact CG1-CG2 3.94Å; V1331-M1406 HydrophobicContact CG1-CE 4.05Å; V1331-M1406 VanDerWaalsContact O-CE 3.32Å; V1331-M1406 WeakPolarHBondContact O-CE 3.42Å
1332Q92Very high87.1Confident4 Ų432.7 Ų32.72%0.01915%0.151CC..Hα-helixtrans-63.5-51171.5177.8174.2-4.100111.5A1328 Y1329 L1334 T1335 V1344 E1346 N1347 Y1348 M1351A1328-Q1332 PolarHBondContact O-N 2.85Å; Y1329-Q1332 PolarHBondContact O-N 3.11Å; Q1332-L1334 PolarHBondContact O-N 2.91Å; Q1332-L1334 VanDerWaalsContact O-N 3.12Å; Q1332-T1335 PolarHBondContact O-N 3.07Å; Q1332-V1344 HydrophobicContact CB-CG1 4.42Å; Q1332-E1346 HydrophobicContact CG-CB 4.12Å; Q1332-E1346 PolarHBondContact NE2-OE2 2.86Å; Q1332-N1347 WeakPolarHBondContact CG-O 3.45Å; Q1332-N1347 PolarHBondContact NE2-O 3.02Å; Q1332-N1347 VanDerWaalsContact NE2-O 3.16Å; Q1332-Y1348 PolarHBondContact O-N 2.83Å; Q1332-M1351 HydrophobicContact CB-CE 3.94Å; Q1332-M1351 HydrophobicContact CB-SD 4Å; Q1332-M1351 HydrophobicContact CG-CE 3.89Å; Q1332-M1351 HydrophobicContact CG-SD 3.73Å
1333A94.4Very high86.3Confident0 Ų031.2 Ų31.20%015%0.145CC..Hα-helixtrans-55.4-30.6-179.500000114Y1329 L1330 Y1348 M1351 S1464 V1465 A1468Y1329-A1333 PolarHBondContact O-N 2.92Å; L1330-A1333 PolarHBondContact O-N 2.83Å; A1333-Y1348 WeakPolarHBondContact O-CB 3.25Å; A1333-M1351 HydrophobicContact CB-SD 3.86Å; A1333-S1464 WeakPolarHBondContact CA-OG 3.21Å; A1333-S1464 WeakPolarHBondContact CB-OG 3.37Å; A1333-S1464 PolarHBondContact O-OG 3.45Å; A1333-V1465 HydrophobicContact CB-CG2 3.79Å; A1333-A1468 HydrophobicContact CB-CB 3.96Å
1334L93.6Very high85.6Confident0 Ų023.6 Ų23.60%011%0.109CC..THydrogen-bonded Turntrans-94.60.2179.5-65.4170.6000114.2L1313 F1316 L1330 Q1332 M1406 V1465L1313-L1334 HydrophobicContact CD2-CD1 3.69Å; F1316-L1334 HydrophobicContact CD1-CD1 4.16Å; F1316-L1334 HydrophobicContact CE1-CD1 4.2Å; F1316-L1334 HydrophobicContact CE1-CD2 4.29Å; L1330-L1334 HydrophobicContact CD1-CD1 3.87Å; L1330-L1334 HydrophobicContact CD1-CG 4.29Å; L1330-L1334 HydrophobicContact CG-CD1 4.09Å; L1330-L1334 WeakPolarHBondContact O-CG 3.47Å; L1330-L1334 PolarHBondContact O-N 3.01Å; Q1332-L1334 PolarHBondContact O-N 2.91Å; Q1332-L1334 VanDerWaalsContact O-N 3.12Å; L1334-M1406 HydrophobicContact CB-CE 3.63Å; L1334-M1406 WeakPolarHBondContact O-CB 3.16Å; L1334-M1406 PolarHBondContact O-N 3.37Å; L1334-V1465 HydrophobicContact CD2-CG2 4.23Å
1335T90.8Very high84.7Confident0 Ų025.1 Ų25.10%012%0.116CC..BIsolated β-bridgetrans-97.3103.1-174.3-66.90000112.7L561 V1331 Q1332 Y1339 P1342 N1347 Y1348 M1406L561-T1335 HydrophobicContact CD1-CG2 4Å; V1331-T1335 WeakPolarHBondContact O-CB 3.4Å; V1331-T1335 PolarHBondContact O-N 2.97Å; V1331-T1335 PolarHBondContact O-OG1 3.17Å; Q1332-T1335 PolarHBondContact O-N 3.07Å; T1335-Y1339 HydrophobicContact CG2-CD1 4.09Å; T1335-P1342 HydrophobicContact CG2-CB 3.92Å; T1335-N1347 WeakPolarHBondContact O-CA 3.4Å; T1335-Y1348 WeakPolarHBondContact O-CD1 3.49Å; T1335-Y1348 PolarHBondContact O-N 3.13Å; T1335-M1406 VanDerWaalsContact OG1-CE 3.32Å; T1335-M1406 WeakPolarHBondContact OG1-CE 3.4Å
1336H90.1Very high84.1Confident1 Ų120 Ų201%0.00510%0.095CC..  trans-72.2141.7172.9-175.1-97.7000111.7D530 S1338 Y1339 Y1348 L1405 M1406 A1407D530-H1336 IonicContact OD1-CE1 3.84Å; D530-H1336 IonicContact OD1-NE2 2.7Å; D530-H1336 IonicContact OD2-NE2 3.7Å; H1336-S1338 VanDerWaalsContact ND1-CB 3.34Å; H1336-S1338 WeakPolarHBondContact ND1-CB 3.42Å; H1336-S1338 PolarHBondContact ND1-N 2.71Å; H1336-S1338 PolarHBondContact ND1-OG 2.81Å; H1336-S1338 PolarHBondContact O-N 3.37Å; H1336-Y1339 WeakPolarHBondContact O-CB 3.05Å; H1336-Y1339 PolarHBondContact O-N 3.22Å; H1336-Y1348 HydrophobicContact CB-CE1 4.29Å; H1336-Y1348 AromaticContact CD2-CE1 3.58Å; H1336-L1405 HydrophobicContact CB-CD1 4.18Å; H1336-M1406 WeakPolarHBondContact CB-O 3.26Å; H1336-M1406 PolarHBondContact N-O 2.93Å; H1336-A1407 HydrophobicContact CB-CB 4.04Å
1337S82.2Confident83.9Confident9 Ų916.8 Ų16.86%0.0638%0.08CC..THydrogen-bonded Turntrans-50.7-30.8-175.8-63.50000115.3T533 N562 Y1339 N1347 E1349T533-S1337 WeakPolarHBondContact OG1-CB 3.22Å; N562-S1337 WeakPolarHBondContact OD1-CB 3.07Å; N562-S1337 PolarHBondContact OD1-OG 3.31Å; S1337-Y1339 PolarHBondContact O-N 3.2Å; S1337-N1347 PolarHBondContact OG-ND2 3.39Å; S1337-E1349 PolarHBondContact OG-OE1 3.47Å
1338S78.7Confident83.9Confident23 Ų2313.5 Ų13.516%0.1617%0.067CC..THydrogen-bonded Turntrans-61.6-19.4171.6700000116.2T533 H1336 S1408T533-S1338 PolarHBondContact OG1-N 3.19Å; H1336-S1338 VanDerWaalsContact ND1-CB 3.34Å; H1336-S1338 WeakPolarHBondContact ND1-CB 3.42Å; H1336-S1338 PolarHBondContact ND1-N 2.71Å; H1336-S1338 PolarHBondContact ND1-OG 2.81Å; H1336-S1338 PolarHBondContact O-N 3.37Å; S1338-S1408 WeakPolarHBondContact O-CB 3.45Å; S1338-S1408 PolarHBondContact OG-N 2.97Å
1339Y80.9Confident83.9Confident7 Ų714.6 Ų14.63%0.0277%0.072CC..  trans-67.3134.8-156.2-174.7-125.1000113.1K538 R1310 T1335 H1336 S1337 R1341 P1342 M1406 S1408K538-Y1339 PolarHBondContact NZ-O 3.45Å; R1310-Y1339 PolarHBondContact NH1-OH 3.49Å; R1310-Y1339 PolarHBondContact NH2-OH 3.48Å; T1335-Y1339 HydrophobicContact CG2-CD1 4.09Å; H1336-Y1339 WeakPolarHBondContact O-CB 3.05Å; H1336-Y1339 PolarHBondContact O-N 3.22Å; S1337-Y1339 PolarHBondContact O-N 3.2Å; Y1339-R1341 WeakPolarHBondContact CE1-O 3.38Å; Y1339-P1342 HydrophobicContact CD1-CB 4.07Å; Y1339-M1406 HydrophobicContact CD1-CB 3.95Å; Y1339-M1406 HydrophobicContact CD2-CB 3.91Å; Y1339-M1406 HydrophobicContact CE1-CB 3.99Å; Y1339-M1406 HydrophobicContact CE1-CG 4.19Å; Y1339-M1406 HydrophobicContact CE1-SD 3.9Å; Y1339-M1406 HydrophobicContact CE2-CB 3.98Å; Y1339-M1406 HydrophobicContact CE2-CG 4.35Å; Y1339-M1406 HydrophobicContact CG-CB 3.95Å; Y1339-S1408 VanDerWaalsContact CD2-OG 3.29Å; Y1339-S1408 WeakPolarHBondContact CD2-OG 3.48Å
1340C66.7Low83.7Confident27 Ų2714.4 Ų14.418%0.1827%0.071CC..SBendtrans-72.8-36.4-170.261.80000113.2K538 S1408K538-C1340 PolarHBondContact NZ-O 2.93Å; C1340-S1408 PolarHBondContact N-OG 2.83Å; C1340-S1408 PolarHBondContact SG-OG 2.79Å
1341R69.4Low83.6Confident82 Ų8214.4 Ų14.431%0.3097%0.071SC..SBendtrans-130.361.4-170.6-69.8174.4170.2-156.1-9.4112.8E30 Y1339E30-R1341 WeakPolarHBondContact OE1-CD 3.47Å; E30-R1341 IonicContact OE1-CZ 2.7Å; E30-R1341 IonicContact OE1-NE 2.8Å; E30-R1341 IonicContact OE1-NH1 3.26Å; E30-R1341 PolarHBondContact OE1-NH1 3.19Å; Y1339-R1341 WeakPolarHBondContact CE1-O 3.38Å
1342P67Low83.7Confident25 Ų2517 Ų1716%0.1628%0.083CC..  trans-69.2135.9-178.133.3-37000110.5L561 T1299 T1335 Y1339 V1344L561-P1342 HydrophobicContact CD1-CB 4.22Å; L561-P1342 HydrophobicContact CD1-CG 4.25Å; L561-P1342 HydrophobicContact CD2-CB 4.29Å; L561-P1342 HydrophobicContact CD2-CG 4.03Å; L561-P1342 HydrophobicContact CG-CG 4.42Å; T1299-P1342 WeakPolarHBondContact CG2-O 3.44Å; T1335-P1342 HydrophobicContact CG2-CB 3.92Å; Y1339-P1342 HydrophobicContact CD1-CB 4.07Å; P1342-V1344 VanDerWaalsContact C-N 3.32Å; P1342-V1344 WeakPolarHBondContact CB-O 3.34Å
1343A76.8Confident83.7Confident1 Ų117.1 Ų17.11%0.0088%0.083CC..SBendtrans-82.4-14.217700000112.8T1299 L1304 V1331T1299-A1343 PolarHBondContact N-O 3.16Å; T1299-A1343 PolarHBondContact OG1-O 3.38Å; L1304-A1343 HydrophobicContact CD1-CB 4.37Å; V1331-A1343 HydrophobicContact CG1-CB 4.13Å
1344V78.6Confident83.6Confident0 Ų017.2 Ų17.20%08%0.084CC..BIsolated β-bridgetrans-118.3151.7177-165.50000108.1P1296 A1297 V1331 Q1332 P1342 E1346P1296-V1344 HydrophobicContact CB-CG1 3.56Å; A1297-V1344 CarbonylContact O-C 3.47Å; A1297-V1344 WeakPolarHBondContact O-CA 3.33Å; A1297-V1344 WeakPolarHBondContact O-CG1 3.28Å; V1331-V1344 HydrophobicContact CB-CG2 4.23Å; V1331-V1344 HydrophobicContact CG1-CG2 3.94Å; Q1332-V1344 HydrophobicContact CB-CG1 4.42Å; P1342-V1344 VanDerWaalsContact C-N 3.32Å; P1342-V1344 WeakPolarHBondContact CB-O 3.34Å; V1344-E1346 PolarHBondContact O-N 2.98Å
1345F73.9Confident83.7Confident41 Ų4117.2 Ų17.218%0.188%0.084CC..SBendtrans-79.74.6177.1-68.8-74.4000114.3L561 K566 K568 A1297 T1299L561-F1345 WeakPolarHBondContact CD2-O 3.45Å; K566-F1345 HydrophobicContact CB-CB 3.97Å; K566-F1345 WeakPolarHBondContact CD-O 3.47Å; K568-F1345 HydrophobicContact CG-CE1 4.13Å; K568-F1345 HydrophobicContact CG-CZ 4.13Å; A1297-F1345 HydrophobicContact CB-CB 4.5Å; A1297-F1345 HydrophobicContact CB-CD2 3.92Å; A1297-F1345 VanDerWaalsContact O-CD2 3.26Å; A1297-F1345 WeakPolarHBondContact O-CD2 3.45Å; A1297-F1345 PolarHBondContact O-N 3.19Å; T1299-F1345 HydrophobicContact CG2-CD1 4.17Å; T1299-F1345 HydrophobicContact CG2-CD2 4.31Å; T1299-F1345 HydrophobicContact CG2-CE1 3.87Å; T1299-F1345 HydrophobicContact CG2-CE2 4.02Å; T1299-F1345 HydrophobicContact CG2-CG 4.38Å; T1299-F1345 HydrophobicContact CG2-CZ 3.79Å
1346E78.9Confident83.8Confident32 Ų3219.6 Ų19.615%0.1510%0.096CC..  trans-124.9157.9-178.3-70.9176.8-14300112.1K566 Q1332 V1344 R1350K566-E1346 HydrophobicContact CD-CG 4.46Å; Q1332-E1346 HydrophobicContact CG-CB 4.12Å; Q1332-E1346 PolarHBondContact NE2-OE2 2.86Å; V1344-E1346 PolarHBondContact O-N 2.98Å; E1346-R1350 IonicContact OE2-NE 2.8Å
1347N85.8Confident84Confident1 Ų119.6 Ų19.61%0.00510%0.097CC..  trans-101.4177.9176.2569.1000110.5L561 N562 Q1332 T1335 S1337 E1349L561-N1347 HydrophobicContact CB-CB 4.41Å; L561-N1347 HydrophobicContact CD1-CB 4.4Å; N562-N1347 PolarHBondContact OD1-ND2 2.79Å; Q1332-N1347 WeakPolarHBondContact CG-O 3.45Å; Q1332-N1347 PolarHBondContact NE2-O 3.02Å; Q1332-N1347 VanDerWaalsContact NE2-O 3.16Å; T1335-N1347 WeakPolarHBondContact O-CA 3.4Å; S1337-N1347 PolarHBondContact OG-ND2 3.39Å; N1347-E1349 VanDerWaalsContact C-N 3.32Å; N1347-E1349 HydrophobicContact CB-CG 4.46Å; N1347-E1349 PolarHBondContact ND2-OE1 3.23Å; N1347-E1349 PolarHBondContact ND2-OE2 2.82Å; N1347-E1349 PolarHBondContact O-N 3.23Å
1348Y91.6Very high84.5Confident11 Ų1119.2 Ų19.24%0.0439%0.094CC..THydrogen-bonded Turntrans-69.9-24.1178.974.3-89.7000114.1Q1332 A1333 T1335 H1336 R1350 M1351 E1352 V1457 D1460 I1461Q1332-Y1348 PolarHBondContact O-N 2.83Å; A1333-Y1348 WeakPolarHBondContact O-CB 3.25Å; T1335-Y1348 WeakPolarHBondContact O-CD1 3.49Å; T1335-Y1348 PolarHBondContact O-N 3.13Å; H1336-Y1348 HydrophobicContact CB-CE1 4.29Å; H1336-Y1348 AromaticContact CD2-CE1 3.58Å; Y1348-R1350 VanDerWaalsContact C-N 3.25Å; Y1348-R1350 PolarHBondContact O-N 3.45Å; Y1348-R1350 VanDerWaalsContact O-N 3.12Å; Y1348-M1351 CarbonylContact O-C 3.59Å; Y1348-M1351 WeakPolarHBondContact O-CA 3.3Å; Y1348-M1351 WeakPolarHBondContact O-CB 3.19Å; Y1348-M1351 PolarHBondContact O-N 3.12Å; Y1348-E1352 HydrophobicContact CD2-CB 4.13Å; Y1348-E1352 HydrophobicContact CE2-CB 4.47Å; Y1348-E1352 WeakPolarHBondContact CE2-OE2 3.45Å; Y1348-E1352 PolarHBondContact O-N 3.27Å; Y1348-V1457 HydrophobicContact CE1-CG2 4.27Å; Y1348-D1460 HydrophobicContact CD2-CB 3.96Å; Y1348-D1460 HydrophobicContact CE2-CB 3.27Å; Y1348-D1460 PolarHBondContact OH-OD2 2.87Å; Y1348-I1461 HydrophobicContact CG-CG2 4.3Å
1349E89.6Confident85.2Confident29 Ų2918.1 Ų18.114%0.1369%0.086CC..Hα-helixtrans-60.1-30.7-165.4-50.6167174.300113.1N562 P1176 S1337 N1347 E1352 F1353N562-E1349 PolarHBondContact ND2-OE1 2.95Å; P1176-E1349 HydrophobicContact CB-CB 4.42Å; P1176-E1349 HydrophobicContact CG-CB 3.49Å; P1176-E1349 VanDerWaalsContact CG-CB 3.49Å; S1337-E1349 PolarHBondContact OG-OE1 3.47Å; N1347-E1349 VanDerWaalsContact C-N 3.32Å; N1347-E1349 HydrophobicContact CB-CG 4.46Å; N1347-E1349 PolarHBondContact ND2-OE1 3.23Å; N1347-E1349 PolarHBondContact ND2-OE2 2.82Å; N1347-E1349 PolarHBondContact O-N 3.23Å; E1349-E1352 WeakPolarHBondContact CA-OE2 3.38Å; E1349-F1353 PolarHBondContact O-N 3.15Å
1350R89.7Confident85.7Confident9 Ų918.6 Ų18.63%0.0349%0.089CC..Hα-helixtrans-71.4-31.7173-81.2-175.258.193.67.6113.1F1168 H1171 K1174 P1176 E1346 Y1348F1168-R1350 WeakPolarHBondContact CD2-O 3.38Å; F1168-R1350 HydrophobicContact CE2-CB 4.09Å; F1168-R1350 VanDerWaalsContact CE2-O 3.26Å; F1168-R1350 WeakPolarHBondContact CE2-O 3.35Å; F1168-R1350 PolarHBondContact O-NH2 3.02Å; F1168-R1350 VanDerWaalsContact O-NH2 3.09Å; H1171-R1350 PolarHBondContact O-NH1 3.18Å; H1171-R1350 PolarHBondContact O-NH2 2.71Å; K1174-R1350 PolarHBondContact O-NH1 3.08Å; P1176-R1350 HydrophobicContact CG-CG 4.28Å; E1346-R1350 IonicContact OE2-NE 2.8Å; Y1348-R1350 VanDerWaalsContact C-N 3.25Å; Y1348-R1350 PolarHBondContact O-N 3.45Å; Y1348-R1350 VanDerWaalsContact O-N 3.12Å
1351M91.8Very high86.9Confident0 Ų017.3 Ų17.30%08%0.081CC..Hα-helixtrans-82.5-31.8177.7-70173163.100112.1Y1329 Q1332 A1333 Y1348 L1354 G1355 A1468 L1471Y1329-M1351 HydrophobicContact CD1-CE 3.57Å; Y1329-M1351 HydrophobicContact CG-CE 4.28Å; Q1332-M1351 HydrophobicContact CB-CE 3.94Å; Q1332-M1351 HydrophobicContact CB-SD 4Å; Q1332-M1351 HydrophobicContact CG-CE 3.89Å; Q1332-M1351 HydrophobicContact CG-SD 3.73Å; A1333-M1351 HydrophobicContact CB-SD 3.86Å; Y1348-M1351 CarbonylContact O-C 3.59Å; Y1348-M1351 WeakPolarHBondContact O-CA 3.3Å; Y1348-M1351 WeakPolarHBondContact O-CB 3.19Å; Y1348-M1351 PolarHBondContact O-N 3.12Å; M1351-L1354 PolarHBondContact O-N 2.96Å; M1351-G1355 PolarHBondContact O-N 3.34Å; M1351-A1468 HydrophobicContact CE-CB 4.36Å; M1351-A1468 HydrophobicContact SD-CB 4.13Å; M1351-L1471 HydrophobicContact CE-CD1 4.39Å
1352E94.5Very high88Confident55 Ų5513.5 Ų13.526%0.2577%0.066SC..Hα-helixtrans-52.7-56167.6171.8-157.6153.500110.4Y1348 E1349 L1354 G1355 D1356 D1460Y1348-E1352 HydrophobicContact CD2-CB 4.13Å; Y1348-E1352 HydrophobicContact CE2-CB 4.47Å; Y1348-E1352 WeakPolarHBondContact CE2-OE2 3.45Å; Y1348-E1352 PolarHBondContact O-N 3.27Å; E1349-E1352 WeakPolarHBondContact CA-OE2 3.38Å; E1352-L1354 PolarHBondContact O-N 3.29Å; E1352-G1355 PolarHBondContact O-N 2.71Å; E1352-D1356 WeakPolarHBondContact O-CB 3.27Å; E1352-D1356 PolarHBondContact O-N 2.79Å; E1352-D1460 HydrophobicContact CG-CB 4.05Å
1353F93.1Very high89Confident7 Ų712.3 Ų12.33%0.0316%0.059CC..Hα-helixtrans-52.2-32.3176.6167.7-94.6000114.2A1164 L1179 R1183 E1349A1164-F1353 HydrophobicContact CB-CE1 3.84Å; A1164-F1353 HydrophobicContact CB-CZ 3.89Å; L1179-F1353 HydrophobicContact CB-CD1 4.15Å; L1179-F1353 HydrophobicContact CB-CD2 4.23Å; L1179-F1353 HydrophobicContact CB-CE1 3.83Å; L1179-F1353 HydrophobicContact CB-CE2 3.91Å; L1179-F1353 HydrophobicContact CB-CG 4.34Å; L1179-F1353 HydrophobicContact CB-CZ 3.7Å; L1179-F1353 HydrophobicContact CD1-CD1 3.98Å; L1179-F1353 HydrophobicContact CD1-CE1 4.16Å; R1183-F1353 HydrophobicContact CB-CE2 4.18Å; R1183-F1353 HydrophobicContact CB-CZ 4.18Å; E1349-F1353 PolarHBondContact O-N 3.15Å
1354L93Very high89.5Confident2 Ų212.6 Ų12.61%0.016%0.06CC..Hα-helixtrans-81.7-40.7176.8-178.959.9000111.7V1165 F1168 M1351 E1352 I1358 Y1470 L1471V1165-L1354 HydrophobicContact CG2-CD1 3.78Å; F1168-L1354 HydrophobicContact CD1-CD2 4.35Å; F1168-L1354 HydrophobicContact CD2-CB 4.24Å; F1168-L1354 HydrophobicContact CD2-CD2 4.23Å; F1168-L1354 HydrophobicContact CE1-CD2 4.4Å; F1168-L1354 HydrophobicContact CE2-CD2 4.26Å; F1168-L1354 HydrophobicContact CG-CD2 4.28Å; F1168-L1354 HydrophobicContact CZ-CD2 4.36Å; M1351-L1354 PolarHBondContact O-N 2.96Å; E1352-L1354 PolarHBondContact O-N 3.29Å; L1354-I1358 HydrophobicContact CD1-CD1 4.02Å; L1354-I1358 HydrophobicContact CG-CD1 3.85Å; L1354-I1358 WeakPolarHBondContact O-CD1 3.49Å; L1354-I1358 VanDerWaalsContact O-CG1 3.23Å; L1354-I1358 WeakPolarHBondContact O-CG1 3.41Å; L1354-I1358 PolarHBondContact O-N 3.21Å; L1354-Y1470 HydrophobicContact CD1-CD1 4.47Å; L1354-Y1470 HydrophobicContact CD1-CE1 4.38Å; L1354-Y1470 HydrophobicContact CD2-CD1 4.13Å; L1354-Y1470 HydrophobicContact CG-CD1 4.43Å; L1354-L1471 HydrophobicContact CD2-CD1 4.4Å; L1354-L1471 HydrophobicContact CD2-CD2 3.75Å; L1354-L1471 HydrophobicContact CD2-CG 4.09Å
1355G94.3Very high89.9Confident0 Ų012.9 Ų12.90%06%0.062CC..Hα-helixtrans-68.8-40.4179.500000114M1351 E1352 A1357 I1358 L1359 E1463M1351-G1355 PolarHBondContact O-N 3.34Å; E1352-G1355 PolarHBondContact O-N 2.71Å; G1355-A1357 PolarHBondContact O-N 3.07Å; G1355-I1358 PolarHBondContact O-N 3.2Å; G1355-L1359 WeakPolarHBondContact O-CB 3.46Å; G1355-L1359 WeakPolarHBondContact O-CG 3.33Å; G1355-L1359 PolarHBondContact O-N 2.98Å; G1355-E1463 WeakPolarHBondContact CA-O 3.3Å
1356D93.8Very high90.4Very high49 Ų4911.1 Ų11.126%0.2625%0.054SC..Hα-helixtrans-44.8-60.7169.2156.960.8000110.7R1183 E1352 I1358 L1359 D1360R1183-D1356 IonicContact CZ-OD2 3.59Å; R1183-D1356 VanDerWaalsContact CZ-OD2 3.23Å; R1183-D1356 IonicContact NH1-OD2 3.58Å; R1183-D1356 PolarHBondContact NH1-OD2 2.83Å; R1183-D1356 IonicContact NH2-OD2 3.4Å; R1183-D1356 PolarHBondContact NH2-OD2 2.75Å; E1352-D1356 WeakPolarHBondContact O-CB 3.27Å; E1352-D1356 PolarHBondContact O-N 2.79Å; D1356-I1358 VanDerWaalsContact C-N 3.33Å; D1356-I1358 PolarHBondContact O-N 3.09Å; D1356-L1359 PolarHBondContact O-N 3Å; D1356-D1360 PolarHBondContact O-N 2.9Å
1357A92.9Very high90.4Very high2 Ų210.1 Ų10.12%0.0175%0.049CC..Hα-helixtrans-67.8-31.3-176.900000113.4A1164 G1355 Y1361A1164-A1357 HydrophobicContact CB-CB 3.82Å; G1355-A1357 PolarHBondContact O-N 3.07Å; A1357-Y1361 WeakPolarHBondContact O-CB 3.44Å; A1357-Y1361 PolarHBondContact O-N 2.84Å; A1357-Y1361 VanDerWaalsContact O-N 3.13Å
1358I94.4Very high90.2Very high0 Ų011 Ų110%05%0.053CC..Hα-helixtrans-70.5-44.1175.9-72.4165.3000111.2Y1161 L1354 G1355 D1356 L1362 Y1470 L1477 V1480Y1161-I1358 HydrophobicContact CD2-CG1 3.75Å; Y1161-I1358 HydrophobicContact CE2-CG1 3.87Å; L1354-I1358 HydrophobicContact CD1-CD1 4.02Å; L1354-I1358 HydrophobicContact CG-CD1 3.85Å; L1354-I1358 WeakPolarHBondContact O-CD1 3.49Å; L1354-I1358 VanDerWaalsContact O-CG1 3.23Å; L1354-I1358 WeakPolarHBondContact O-CG1 3.41Å; L1354-I1358 PolarHBondContact O-N 3.21Å; G1355-I1358 PolarHBondContact O-N 3.2Å; D1356-I1358 VanDerWaalsContact C-N 3.33Å; D1356-I1358 PolarHBondContact O-N 3.09Å; I1358-L1362 HydrophobicContact CG2-CD1 3.72Å; I1358-L1362 HydrophobicContact CG2-CG 4.43Å; I1358-L1362 VanDerWaalsContact O-CB 3.32Å; I1358-L1362 WeakPolarHBondContact O-CB 3.42Å; I1358-L1362 VanDerWaalsContact O-CG 3.29Å; I1358-L1362 WeakPolarHBondContact O-CG 3.32Å; I1358-L1362 PolarHBondContact O-N 2.86Å; I1358-Y1470 HydrophobicContact CD1-CD1 3.5Å; I1358-Y1470 HydrophobicContact CD1-CD2 3.92Å; I1358-Y1470 HydrophobicContact CD1-CE1 4.06Å; I1358-Y1470 HydrophobicContact CD1-CE2 4.43Å; I1358-Y1470 HydrophobicContact CD1-CG 3.42Å; I1358-Y1470 VanDerWaalsContact CD1-CG 3.42Å; I1358-L1477 HydrophobicContact CG1-CD2 4.32Å; I1358-L1477 HydrophobicContact CG2-CD2 3.88Å; I1358-V1480 HydrophobicContact CG2-CG1 3.99Å
1359L93.1Very high89.5Confident0 Ų012.1 Ų12.10%06%0.058CC..Hα-helixtrans-73.4-38.1-179.5-67.7-179.6000111.5G1355 D1356 V1363 F1392 F1462 E1463 A1466 Y1484G1355-L1359 WeakPolarHBondContact O-CB 3.46Å; G1355-L1359 WeakPolarHBondContact O-CG 3.33Å; G1355-L1359 PolarHBondContact O-N 2.98Å; D1356-L1359 PolarHBondContact O-N 3Å; L1359-V1363 VanDerWaalsContact O-CB 3.25Å; L1359-V1363 WeakPolarHBondContact O-CB 3.17Å; L1359-V1363 WeakPolarHBondContact O-CG2 3.28Å; L1359-V1363 PolarHBondContact O-N 3.47Å; L1359-F1392 HydrophobicContact CB-CZ 4.41Å; L1359-F1392 HydrophobicContact CD1-CE1 4.45Å; L1359-F1392 HydrophobicContact CD1-CZ 4.21Å; L1359-F1462 HydrophobicContact CD1-CD1 4.1Å; L1359-F1462 HydrophobicContact CD1-CE1 4.17Å; L1359-E1463 HydrophobicContact CD1-CG 3.99Å; L1359-A1466 HydrophobicContact CD1-CB 4.11Å; L1359-A1466 HydrophobicContact CD2-CB 4.04Å; L1359-A1466 HydrophobicContact CG-CB 4.05Å; L1359-Y1484 HydrophobicContact CD1-CD1 4.31Å; L1359-Y1484 HydrophobicContact CD1-CE1 4.2Å; L1359-Y1484 HydrophobicContact CD2-CD1 3.72Å; L1359-Y1484 HydrophobicContact CD2-CE1 4.3Å; L1359-Y1484 HydrophobicContact CD2-CG 4.3Å
1360D90.7Very high88.7Confident17 Ų1717.6 Ų17.69%0.0918%0.078CC..Hα-helixtrans-59.5-49.2171.4-168.959.4000110.8S1157 D1356 T1364 R1383 V1387S1157-D1360 WeakPolarHBondContact CB-OD2 3.36Å; D1356-D1360 PolarHBondContact O-N 2.9Å; D1360-T1364 WeakPolarHBondContact O-CB 3.41Å; D1360-T1364 PolarHBondContact O-N 2.98Å; D1360-T1364 PolarHBondContact O-OG1 3.36Å; D1360-R1383 VanDerWaalsContact OD1-CD 3.27Å; D1360-R1383 WeakPolarHBondContact OD1-CD 3.28Å; D1360-R1383 WeakPolarHBondContact OD1-CG 3.42Å; D1360-R1383 IonicContact OD1-NH1 3.91Å; D1360-R1383 IonicContact OD2-NH1 2.74Å; D1360-R1383 PolarHBondContact OD2-NH1 3.25Å; D1360-V1387 HydrophobicContact CB-CG1 4.44Å
1361Y92.5Very high87.4Confident1 Ų120.1 Ų20.10%0.0049%0.09CC..Hα-helixtrans-61.7-49.9178176.6-112.4000113L1154 F1158 Y1161 V1268 H1273 A1357 V1363 T1364 H1365 L1477L1154-Y1361 HydrophobicContact CD1-CE2 3.84Å; F1158-Y1361 HydrophobicContact CB-CD2 3.85Å; F1158-Y1361 HydrophobicContact CB-CE2 3.75Å; F1158-Y1361 HydrophobicContact CD2-CD1 4.48Å; F1158-Y1361 HydrophobicContact CD2-CD2 4.08Å; F1158-Y1361 HydrophobicContact CD2-CE1 4.1Å; F1158-Y1361 AromaticContact CD2-CE2 3.67Å; F1158-Y1361 HydrophobicContact CD2-CE2 3.67Å; F1158-Y1361 HydrophobicContact CD2-CG 4.49Å; F1158-Y1361 AromaticContact CD2-CZ 3.71Å; F1158-Y1361 HydrophobicContact CG-CD2 4.49Å; F1158-Y1361 HydrophobicContact CG-CE2 4.18Å; Y1161-Y1361 HydrophobicContact CD1-CD1 4.44Å; V1268-Y1361 HydrophobicContact CG1-CE2 4.35Å; V1268-Y1361 WeakPolarHBondContact CG1-OH 3.3Å; H1273-Y1361 AromaticContact NE2-CE1 2.93Å; H1273-Y1361 WeakPolarHBondContact NE2-CE1 3.42Å; H1273-Y1361 AromaticContact NE2-CZ 2.74Å; H1273-Y1361 PolarHBondContact NE2-OH 3.35Å; A1357-Y1361 WeakPolarHBondContact O-CB 3.44Å; A1357-Y1361 PolarHBondContact O-N 2.84Å; A1357-Y1361 VanDerWaalsContact O-N 3.13Å; Y1361-V1363 PolarHBondContact O-N 3.32Å; Y1361-T1364 PolarHBondContact O-N 3.34Å; Y1361-H1365 HydrophobicContact CE2-CB 4.21Å; Y1361-H1365 WeakPolarHBondContact O-CB 3.33Å; Y1361-H1365 PolarHBondContact O-N 3.02Å; Y1361-L1477 HydrophobicContact CD1-CD1 3.99Å; Y1361-L1477 HydrophobicContact CE1-CD1 3.79Å
1362L91.3Very high85.6Confident1 Ų121.6 Ų21.61%0.00510%0.098CC..Hα-helixtrans-64.4-42.2-177.5-76.5172.3000112.6I1358 F1366 L1477 V1480 W1481I1358-L1362 HydrophobicContact CG2-CD1 3.72Å; I1358-L1362 HydrophobicContact CG2-CG 4.43Å; I1358-L1362 VanDerWaalsContact O-CB 3.32Å; I1358-L1362 WeakPolarHBondContact O-CB 3.42Å; I1358-L1362 VanDerWaalsContact O-CG 3.29Å; I1358-L1362 WeakPolarHBondContact O-CG 3.32Å; I1358-L1362 PolarHBondContact O-N 2.86Å; L1362-F1366 VanDerWaalsContact O-CB 3.32Å; L1362-F1366 WeakPolarHBondContact O-CB 3.46Å; L1362-F1366 PolarHBondContact O-N 3.18Å; L1362-L1477 HydrophobicContact CD1-CD2 4.29Å; L1362-L1477 HydrophobicContact CD2-CB 4.29Å; L1362-L1477 HydrophobicContact CD2-CD2 4.42Å; L1362-L1477 HydrophobicContact CG-CD2 4.29Å; L1362-V1480 HydrophobicContact CD1-CB 4.15Å; L1362-V1480 HydrophobicContact CD1-CG1 3.88Å; L1362-W1481 HydrophobicContact CB-CD2 4.31Å; L1362-W1481 HydrophobicContact CB-CE3 3.66Å; L1362-W1481 HydrophobicContact CB-CZ3 3.91Å; L1362-W1481 HydrophobicContact CD1-CB 4.16Å; L1362-W1481 HydrophobicContact CD1-CE3 4.09Å; L1362-W1481 HydrophobicContact CD2-CB 4.13Å; L1362-W1481 HydrophobicContact CD2-CG 4.41Å; L1362-W1481 HydrophobicContact CG-CE3 4.34Å
1363V88.1Confident83.6Confident1 Ų125.5 Ų25.51%0.00611%0.111CC..Hα-helixtrans-66.9-45.2176.1172.50000110.4L1359 Y1361 F1366 I1367 L1386 V1387 W1481 M1488L1359-V1363 VanDerWaalsContact O-CB 3.25Å; L1359-V1363 WeakPolarHBondContact O-CB 3.17Å; L1359-V1363 WeakPolarHBondContact O-CG2 3.28Å; L1359-V1363 PolarHBondContact O-N 3.47Å; Y1361-V1363 PolarHBondContact O-N 3.32Å; V1363-F1366 PolarHBondContact O-N 3.04Å; V1363-I1367 HydrophobicContact CG1-CD1 3.64Å; V1363-I1367 HydrophobicContact CG1-CG1 4.36Å; V1363-I1367 WeakPolarHBondContact O-CD1 3.26Å; V1363-I1367 VanDerWaalsContact O-CG1 3.25Å; V1363-I1367 WeakPolarHBondContact O-CG1 3.27Å; V1363-I1367 PolarHBondContact O-N 2.82Å; V1363-L1386 HydrophobicContact CG1-CB 4.12Å; V1363-L1386 HydrophobicContact CG1-CD1 4.14Å; V1363-V1387 HydrophobicContact CB-CG2 3.98Å; V1363-V1387 HydrophobicContact CG1-CG2 3.91Å; V1363-V1387 HydrophobicContact CG2-CG2 4.3Å; V1363-W1481 HydrophobicContact CG2-CH2 4.07Å; V1363-W1481 HydrophobicContact CG2-CZ3 4Å; V1363-M1488 HydrophobicContact CG2-CE 3.63Å
1364T87.2Confident82.1Confident6 Ų627 Ų274%0.03712%0.118CC..Hα-helixtrans-60.3-48.9178.7-57.90000111.5T1153 D1360 Y1361 F1366 I1367 Y1368 R1383T1153-T1364 HydrophobicContact CG2-CG2 4.09Å; D1360-T1364 WeakPolarHBondContact O-CB 3.41Å; D1360-T1364 PolarHBondContact O-N 2.98Å; D1360-T1364 PolarHBondContact O-OG1 3.36Å; Y1361-T1364 PolarHBondContact O-N 3.34Å; T1364-F1366 VanDerWaalsContact C-N 3.33Å; T1364-F1366 PolarHBondContact O-N 2.92Å; T1364-I1367 PolarHBondContact O-N 3.49Å; T1364-Y1368 WeakPolarHBondContact O-CB 3.2Å; T1364-Y1368 PolarHBondContact O-N 3.49Å; T1364-R1383 WeakPolarHBondContact OG1-CD 3.07Å
1365H87Confident80.7Confident6 Ų630.2 Ų30.23%0.02814%0.14CC..Hα-helixtrans-62.3-38.7177.9-170.9-109000112.2F1116 F1120 L1154 Y1361 Y1368 E1369F1116-H1365 AromaticContact CE2-CE1 3.87Å; F1116-H1365 AromaticContact CE2-ND1 3.26Å; F1116-H1365 VanDerWaalsContact CE2-ND1 3.26Å; F1116-H1365 WeakPolarHBondContact CE2-ND1 3.39Å; F1116-H1365 HydrophobicContact CZ-CB 4.32Å; F1116-H1365 AromaticContact CZ-ND1 3.2Å; F1116-H1365 WeakPolarHBondContact CZ-ND1 3.18Å; F1120-H1365 AromaticContact CE2-CE1 3.47Å; F1120-H1365 VanDerWaalsContact CE2-CE1 3.47Å; F1120-H1365 WeakPolarHBondContact CE2-CE1 3.49Å; F1120-H1365 AromaticContact CE2-ND1 3.68Å; F1120-H1365 AromaticContact CZ-CE1 3.19Å; F1120-H1365 WeakPolarHBondContact CZ-CE1 3.37Å; F1120-H1365 AromaticContact CZ-ND1 3.48Å; F1120-H1365 WeakPolarHBondContact CZ-ND1 3.39Å; F1120-H1365 AromaticContact CZ-NE2 3.98Å; L1154-H1365 HydrophobicContact CD1-CB 4.13Å; Y1361-H1365 HydrophobicContact CE2-CB 4.21Å; Y1361-H1365 WeakPolarHBondContact O-CB 3.33Å; Y1361-H1365 PolarHBondContact O-N 3.02Å; H1365-Y1368 PolarHBondContact O-N 3.29Å; H1365-E1369 IonicContact NE2-OE1 2.67Å; H1365-E1369 WeakPolarHBondContact O-CG 3.41Å; H1365-E1369 PolarHBondContact O-N 3.48Å
1366F84.9Confident79.2Confident5 Ų531.2 Ų31.22%0.02215%0.147CC..Hα-helixtrans-68.2-38.6177.7-175.6-96.3000113.7V1112 F1116 L1362 V1363 T1364 R1370 W1481 Y1485 I1492V1112-F1366 HydrophobicContact CG1-CE2 3.93Å; V1112-F1366 HydrophobicContact CG1-CZ 4.04Å; F1116-F1366 HydrophobicContact CD2-CD2 4.04Å; F1116-F1366 HydrophobicContact CE2-CB 4.1Å; F1116-F1366 HydrophobicContact CE2-CD2 4Å; F1116-F1366 HydrophobicContact CG-CD2 4.34Å; F1116-F1366 HydrophobicContact CZ-CB 3.98Å; F1116-F1366 HydrophobicContact CZ-CD2 4.24Å; L1362-F1366 VanDerWaalsContact O-CB 3.32Å; L1362-F1366 WeakPolarHBondContact O-CB 3.46Å; L1362-F1366 PolarHBondContact O-N 3.18Å; V1363-F1366 PolarHBondContact O-N 3.04Å; T1364-F1366 VanDerWaalsContact C-N 3.33Å; T1364-F1366 PolarHBondContact O-N 2.92Å; F1366-R1370 VanDerWaalsContact CZ-NE 3.29Å; F1366-R1370 PolarHBondContact O-N 2.84Å; F1366-W1481 HydrophobicContact CB-CH2 4.19Å; F1366-W1481 HydrophobicContact CB-CZ2 3.6Å; F1366-W1481 HydrophobicContact CD1-CZ2 4.04Å; F1366-W1481 AromaticContact CD2-CZ2 3.71Å; F1366-W1481 HydrophobicContact CD2-CZ2 3.71Å; F1366-W1481 AromaticContact CD2-NE1 3.78Å; F1366-W1481 HydrophobicContact CE2-CZ2 4.37Å; F1366-W1481 HydrophobicContact CG-CH2 4.37Å; F1366-W1481 AromaticContact CG-CZ2 3.51Å; F1366-W1481 HydrophobicContact CG-CZ2 3.51Å; F1366-Y1485 AromaticContact CE1-CE2 3.8Å; F1366-Y1485 HydrophobicContact CE1-CE2 3.8Å; F1366-Y1485 HydrophobicContact CE2-CD2 4.41Å; F1366-Y1485 AromaticContact CE2-CE2 3.94Å; F1366-Y1485 HydrophobicContact CE2-CE2 3.94Å; F1366-Y1485 HydrophobicContact CZ-CD2 4.21Å; F1366-Y1485 AromaticContact CZ-CE2 3.38Å; F1366-Y1485 HydrophobicContact CZ-CE2 3.38Å; F1366-Y1485 AromaticContact CZ-CZ 3.86Å; F1366-I1492 HydrophobicContact CD1-CG2 4.24Å; F1366-I1492 HydrophobicContact CE1-CG2 3.87Å
1367I79.7Confident77.8Confident10 Ų1031 Ų315%0.05116%0.156CC..Hα-helixtrans-68.2-46.6173.4-57.3154.1000109.2V1363 T1364 E1369 R1370 E1371 L1379 I1382 L1386V1363-I1367 HydrophobicContact CG1-CD1 3.64Å; V1363-I1367 HydrophobicContact CG1-CG1 4.36Å; V1363-I1367 WeakPolarHBondContact O-CD1 3.26Å; V1363-I1367 VanDerWaalsContact O-CG1 3.25Å; V1363-I1367 WeakPolarHBondContact O-CG1 3.27Å; V1363-I1367 PolarHBondContact O-N 2.82Å; T1364-I1367 PolarHBondContact O-N 3.49Å; I1367-E1369 PolarHBondContact O-N 2.78Å; I1367-R1370 PolarHBondContact O-N 2.9Å; I1367-R1370 VanDerWaalsContact O-N 3.17Å; I1367-E1371 HydrophobicContact CG2-CB 4.44Å; I1367-E1371 WeakPolarHBondContact O-CB 3.37Å; I1367-E1371 PolarHBondContact O-N 2.78Å; I1367-L1379 HydrophobicContact CG2-CD2 3.67Å; I1367-I1382 HydrophobicContact CD1-CG2 3.81Å; I1367-I1382 HydrophobicContact CG1-CG2 4.26Å; I1367-I1382 HydrophobicContact CG2-CG2 4.27Å; I1367-L1386 HydrophobicContact CD1-CD1 4.07Å; I1367-L1386 HydrophobicContact CG1-CD1 4.46Å
1368Y80Confident76.6Confident21 Ų2132.5 Ų32.58%0.08216%0.164CC..Hα-helixtrans-54.4-52.9-179.7-178.4-80.9000111.7N1150 L1154 T1364 H1365 R1370 L1372N1150-Y1368 HydrophobicContact CB-CE2 4.1Å; N1150-Y1368 VanDerWaalsContact O-CE2 3.28Å; N1150-Y1368 WeakPolarHBondContact O-CE2 3.22Å; L1154-Y1368 HydrophobicContact CB-CD2 4.04Å; L1154-Y1368 HydrophobicContact CB-CE2 4.19Å; L1154-Y1368 HydrophobicContact CD2-CD1 4.08Å; L1154-Y1368 HydrophobicContact CD2-CD2 4.41Å; L1154-Y1368 HydrophobicContact CD2-CE1 4.06Å; L1154-Y1368 HydrophobicContact CD2-CE2 4.36Å; L1154-Y1368 HydrophobicContact CD2-CG 4.29Å; T1364-Y1368 WeakPolarHBondContact O-CB 3.2Å; T1364-Y1368 PolarHBondContact O-N 3.49Å; H1365-Y1368 PolarHBondContact O-N 3.29Å; Y1368-R1370 VanDerWaalsContact C-N 3.28Å; Y1368-R1370 PolarHBondContact O-N 3.49Å; Y1368-L1372 HydrophobicContact CD1-CD2 3.86Å; Y1368-L1372 HydrophobicContact CE1-CD2 3.51Å; Y1368-L1372 WeakPolarHBondContact O-CD2 3.47Å; Y1368-L1372 VanDerWaalsContact O-CG 3.23Å; Y1368-L1372 WeakPolarHBondContact O-CG 3.3Å; Y1368-L1372 PolarHBondContact O-N 2.73Å
1369E78.6Confident75.5Confident33 Ų3332.9 Ų32.915%0.15417%0.166CC..Hα-helixtrans-65-27.6-179.6-71.8-57.4147.100113.9F1116 R1269 H1365 I1367F1116-E1369 HydrophobicContact CE2-CG 4.39Å; R1269-E1369 IonicContact CZ-OE1 2.73Å; R1269-E1369 IonicContact CZ-OE2 3.35Å; R1269-E1369 IonicContact NH1-OE1 2.64Å; R1269-E1369 PolarHBondContact NH1-OE1 2.96Å; R1269-E1369 IonicContact NH1-OE2 3.67Å; R1269-E1369 PolarHBondContact NH1-OE2 3.42Å; H1365-E1369 IonicContact NE2-OE1 2.67Å; H1365-E1369 WeakPolarHBondContact O-CG 3.41Å; H1365-E1369 PolarHBondContact O-N 3.48Å; I1367-E1369 PolarHBondContact O-N 2.78Å
1370R71.7Confident74.4Confident145 Ų14534.7 Ų34.755%0.54718%0.178SC..Hα-helixtrans-88.4-31.7-179.7-80.7-173.6156.4-146.8-8.6114.4F1366 I1367 Y1368F1366-R1370 VanDerWaalsContact CZ-NE 3.29Å; F1366-R1370 PolarHBondContact O-N 2.84Å; I1367-R1370 PolarHBondContact O-N 2.9Å; I1367-R1370 VanDerWaalsContact O-N 3.17Å; Y1368-R1370 VanDerWaalsContact C-N 3.28Å; Y1368-R1370 PolarHBondContact O-N 3.49Å
1371E63.4Low73.3Confident61 Ų6137 Ų3729%0.28519%0.191SC..  trans-129.235.4-163.9-52.4-162.6120.100112.3I1367 Y1373 K1374I1367-E1371 HydrophobicContact CG2-CB 4.44Å; I1367-E1371 WeakPolarHBondContact O-CB 3.37Å; I1367-E1371 PolarHBondContact O-N 2.78Å; E1371-Y1373 PolarHBondContact O-N 3.19Å; E1371-K1374 HydrophobicContact CB-CD 3.94Å; E1371-K1374 HydrophobicContact CB-CG 4.17Å; E1371-K1374 PolarHBondContact O-N 3.07Å; E1371-K1374 VanDerWaalsContact OE1-CE 3.23Å; E1371-K1374 WeakPolarHBondContact OE1-CE 3.45Å; E1371-K1374 IonicContact OE1-NZ 3.94Å; E1371-K1374 PolarHBondContact OE1-NZ 2.87Å; E1371-K1374 WeakPolarHBondContact OE2-CD 3.36Å; E1371-K1374 WeakPolarHBondContact OE2-CE 3.33Å; E1371-K1374 IonicContact OE2-NZ 2.61Å; E1371-K1374 PolarHBondContact OE2-NZ 2.66Å
1372L53.3Low72.2Confident32 Ų3237.5 Ų37.517%0.16819%0.193CC..THydrogen-bonded Turntrans-44-19.7179.6-68166.3000116.3W961 Y1368W961-L1372 HydrophobicContact CH2-CB 4.38Å; W961-L1372 HydrophobicContact CH2-CD1 3.82Å; W961-L1372 HydrophobicContact CH2-CD2 4.23Å; W961-L1372 HydrophobicContact CH2-CG 4.37Å; W961-L1372 HydrophobicContact CZ2-CD1 4.06Å; W961-L1372 HydrophobicContact CZ3-CB 4.48Å; Y1368-L1372 HydrophobicContact CD1-CD2 3.86Å; Y1368-L1372 HydrophobicContact CE1-CD2 3.51Å; Y1368-L1372 WeakPolarHBondContact O-CD2 3.47Å; Y1368-L1372 VanDerWaalsContact O-CG 3.23Å; Y1368-L1372 WeakPolarHBondContact O-CG 3.3Å; Y1368-L1372 PolarHBondContact O-N 2.73Å
1373Y53.6Low71.4Confident137 Ų13738.9 Ų38.954%0.53720%0.198SC..THydrogen-bonded Turntrans-100.4-0.4-177.8-54.9-75.4000114.5W961 E1371W961-Y1373 HydrophobicContact CE3-CE1 4.29Å; E1371-Y1373 PolarHBondContact O-N 3.19Å
1374K60.6Low70.6Confident38 Ų3842.1 Ų42.117%0.16522%0.221CC..SBendtrans-76.3149.6172.5-75.4-174.1179.81750110.5N1150 E1371 L1378 L1379 I1382N1150-K1374 PolarHBondContact ND2-O 2.69Å; E1371-K1374 HydrophobicContact CB-CD 3.94Å; E1371-K1374 HydrophobicContact CB-CG 4.17Å; E1371-K1374 PolarHBondContact O-N 3.07Å; E1371-K1374 VanDerWaalsContact OE1-CE 3.23Å; E1371-K1374 WeakPolarHBondContact OE1-CE 3.45Å; E1371-K1374 IonicContact OE1-NZ 3.94Å; E1371-K1374 PolarHBondContact OE1-NZ 2.87Å; E1371-K1374 WeakPolarHBondContact OE2-CD 3.36Å; E1371-K1374 WeakPolarHBondContact OE2-CE 3.33Å; E1371-K1374 IonicContact OE2-NZ 2.61Å; E1371-K1374 PolarHBondContact OE2-NZ 2.66Å; K1374-L1378 HydrophobicContact CB-CD2 3.98Å; K1374-L1378 HydrophobicContact CB-CG 4.35Å; K1374-L1378 HydrophobicContact CD-CD2 3.74Å; K1374-L1378 HydrophobicContact CD-CG 4.09Å; K1374-L1378 HydrophobicContact CG-CD2 3.82Å; K1374-L1378 HydrophobicContact CG-CG 4.49Å; K1374-L1379 HydrophobicContact CB-CD2 4Å; K1374-L1379 HydrophobicContact CB-CG 4.38Å; K1374-I1382 HydrophobicContact CD-CD1 3.71Å
1375S64.2Low69.6Low69 Ų6942.2 Ų42.248%0.48322%0.222SC..  trans-66.9150.9177.556.80000111.4G1377 L1378 L1379S1375-G1377 VanDerWaalsContact C-N 3.34Å; S1375-G1377 PolarHBondContact O-N 3.08Å; S1375-L1378 CarbonylContact O-C 3.43Å; S1375-L1378 WeakPolarHBondContact O-CA 3.47Å; S1375-L1378 WeakPolarHBondContact O-CB 3.41Å; S1375-L1378 PolarHBondContact O-N 3.02Å; S1375-L1378 WeakPolarHBondContact OG-CB 3.27Å; S1375-L1379 PolarHBondContact O-N 3.43Å
1376P63.2Low69.1Low22 Ų2242.1 Ų42.114%0.14322%0.222CC..Hα-helixtrans-63.4-38.3-172.8-19.528.3000113.4E1149 N1150 L1378 L1379 S1380E1149-P1376 HydrophobicContact CB-CB 3.45Å; E1149-P1376 VanDerWaalsContact CB-CB 3.45Å; E1149-P1376 HydrophobicContact CB-CG 3.43Å; E1149-P1376 VanDerWaalsContact CB-CG 3.43Å; N1150-P1376 VanDerWaalsContact OD1-CA 3.24Å; N1150-P1376 WeakPolarHBondContact OD1-CA 3.41Å; N1150-P1376 WeakPolarHBondContact OD1-CB 3.28Å; N1150-P1376 WeakPolarHBondContact OD1-CG 3.5Å; P1376-L1378 VanDerWaalsContact C-N 3.26Å; P1376-L1378 PolarHBondContact O-N 3.17Å; P1376-L1379 PolarHBondContact O-N 2.86Å; P1376-S1380 PolarHBondContact O-N 3.46Å; P1376-S1380 PolarHBondContact O-OG 2.97Å
1377G64.4Low68.9Low43 Ų4343.1 Ų43.144%0.44323%0.228SC..Hα-helixtrans-59.7-35.517100000112.9S1375 S1380 D1381S1375-G1377 VanDerWaalsContact C-N 3.34Å; S1375-G1377 PolarHBondContact O-N 3.08Å; G1377-S1380 PolarHBondContact O-N 3.22Å; G1377-D1381 WeakPolarHBondContact O-CB 3.24Å; G1377-D1381 PolarHBondContact O-N 3.08Å
1378L66.9Low68.9Low35 Ų3544.9 Ų44.918%0.18324%0.238CC..Hα-helixtrans-75-34.8176.4176.460.4000112.4K1374 S1375 P1376 S1380 D1381 I1382 L1497K1374-L1378 HydrophobicContact CB-CD2 3.98Å; K1374-L1378 HydrophobicContact CB-CG 4.35Å; K1374-L1378 HydrophobicContact CD-CD2 3.74Å; K1374-L1378 HydrophobicContact CD-CG 4.09Å; K1374-L1378 HydrophobicContact CG-CD2 3.82Å; K1374-L1378 HydrophobicContact CG-CG 4.49Å; S1375-L1378 CarbonylContact O-C 3.43Å; S1375-L1378 WeakPolarHBondContact O-CA 3.47Å; S1375-L1378 WeakPolarHBondContact O-CB 3.41Å; S1375-L1378 PolarHBondContact O-N 3.02Å; S1375-L1378 WeakPolarHBondContact OG-CB 3.27Å; P1376-L1378 VanDerWaalsContact C-N 3.26Å; P1376-L1378 PolarHBondContact O-N 3.17Å; L1378-S1380 VanDerWaalsContact C-N 3.33Å; L1378-D1381 PolarHBondContact O-N 3.32Å; L1378-I1382 HydrophobicContact CD1-CD1 3.87Å; L1378-I1382 HydrophobicContact CD1-CG1 4.03Å; L1378-I1382 HydrophobicContact CG-CD1 3.93Å; L1378-I1382 HydrophobicContact CG-CG1 4.5Å; L1378-I1382 WeakPolarHBondContact O-CB 3.4Å; L1378-I1382 VanDerWaalsContact O-CG1 3.23Å; L1378-I1382 WeakPolarHBondContact O-CG1 3.46Å; L1378-I1382 PolarHBondContact O-N 3.31Å; L1378-L1497 HydrophobicContact CD1-CD1 4.05Å; L1378-L1497 HydrophobicContact CD1-CD2 3.74Å; L1378-L1497 HydrophobicContact CD1-CG 3.79Å; L1378-L1497 HydrophobicContact CD2-CD1 4.27Å; L1378-L1497 HydrophobicContact CD2-CD2 3.85Å; L1378-L1497 HydrophobicContact CD2-CG 4.46Å; L1378-L1497 HydrophobicContact CG-CD2 4.47Å
1379L71Confident69Low8 Ų845.5 Ų45.54%0.04224%0.243CC..Hα-helixtrans-62.1-43.4169.1-68.3-173.8000110.8N1150 I1367 K1374 S1375 P1376 I1382 R1383N1150-L1379 HydrophobicContact CB-CD1 4.38Å; N1150-L1379 VanDerWaalsContact OD1-CD1 3.29Å; N1150-L1379 WeakPolarHBondContact OD1-CD1 3.38Å; I1367-L1379 HydrophobicContact CG2-CD2 3.67Å; K1374-L1379 HydrophobicContact CB-CD2 4Å; K1374-L1379 HydrophobicContact CB-CG 4.38Å; S1375-L1379 PolarHBondContact O-N 3.43Å; P1376-L1379 PolarHBondContact O-N 2.86Å; L1379-I1382 PolarHBondContact O-N 2.95Å; L1379-R1383 VanDerWaalsContact O-CB 3.27Å; L1379-R1383 WeakPolarHBondContact O-CB 3.37Å; L1379-R1383 PolarHBondContact O-N 3.11Å
1380S69.8Low68.9Low37 Ų3745.9 Ų45.926%0.25925%0.245SC..Hα-helixtrans-64.1-39.5174.9-74.20000112.8P1376 G1377 L1378 S1384P1376-S1380 PolarHBondContact O-N 3.46Å; P1376-S1380 PolarHBondContact O-OG 2.97Å; G1377-S1380 PolarHBondContact O-N 3.22Å; L1378-S1380 VanDerWaalsContact C-N 3.33Å; S1380-S1384 WeakPolarHBondContact O-CB 3.33Å; S1380-S1384 PolarHBondContact O-N 2.82Å; S1380-S1384 PolarHBondContact O-OG 3.05Å
1381D67.3Low69.4Low67 Ų6739.1 Ų39.136%0.35822%0.22SC..Hα-helixtrans-64.9-42.9173.9-78.5-12.7000111.6G1377 L1378 A1385 W1527G1377-D1381 WeakPolarHBondContact O-CB 3.24Å; G1377-D1381 PolarHBondContact O-N 3.08Å; L1378-D1381 PolarHBondContact O-N 3.32Å; D1381-A1385 WeakPolarHBondContact O-CA 3.36Å; D1381-A1385 WeakPolarHBondContact O-CB 3.28Å; D1381-A1385 PolarHBondContact O-N 2.89Å; D1381-W1527 WeakPolarHBondContact OD1-CH2 3.28Å; D1381-W1527 VanDerWaalsContact OD1-CZ2 3.26Å; D1381-W1527 WeakPolarHBondContact OD1-CZ2 3.38Å
1382I69.9Low70.6Confident11 Ų1136.2 Ų36.26%0.05621%0.206CC..Hα-helixtrans-69.8-42.4178.7-66.2165.8000111.2I1367 K1374 L1378 L1379 A1385 L1386 C1495I1367-I1382 HydrophobicContact CD1-CG2 3.81Å; I1367-I1382 HydrophobicContact CG1-CG2 4.26Å; I1367-I1382 HydrophobicContact CG2-CG2 4.27Å; K1374-I1382 HydrophobicContact CD-CD1 3.71Å; L1378-I1382 HydrophobicContact CD1-CD1 3.87Å; L1378-I1382 HydrophobicContact CD1-CG1 4.03Å; L1378-I1382 HydrophobicContact CG-CD1 3.93Å; L1378-I1382 HydrophobicContact CG-CG1 4.5Å; L1378-I1382 WeakPolarHBondContact O-CB 3.4Å; L1378-I1382 VanDerWaalsContact O-CG1 3.23Å; L1378-I1382 WeakPolarHBondContact O-CG1 3.46Å; L1378-I1382 PolarHBondContact O-N 3.31Å; L1379-I1382 PolarHBondContact O-N 2.95Å; I1382-A1385 WeakPolarHBondContact O-CB 3.3Å; I1382-A1385 PolarHBondContact O-N 3.41Å; I1382-L1386 HydrophobicContact CG2-CD1 3.9Å; I1382-L1386 PolarHBondContact O-N 3.1Å; I1382-C1495 HydrophobicContact CG2-CB 4.46Å
1383R74.6Confident72.2Confident29 Ų2934.7 Ų34.711%0.10920%0.198CC..Hα-helixtrans-55.2-57.5171.6175.317077.5147.1-20.2110.1D1156 D1360 T1364 L1379 A1385 L1386 V1387D1156-R1383 IonicContact OD2-CZ 3.81Å; D1156-R1383 VanDerWaalsContact OD2-CZ 3.27Å; D1156-R1383 IonicContact OD2-NH1 2.64Å; D1156-R1383 PolarHBondContact OD2-NH1 2.9Å; D1156-R1383 IonicContact OD2-NH2 2.71Å; D1156-R1383 PolarHBondContact OD2-NH2 2.83Å; D1360-R1383 VanDerWaalsContact OD1-CD 3.27Å; D1360-R1383 WeakPolarHBondContact OD1-CD 3.28Å; D1360-R1383 WeakPolarHBondContact OD1-CG 3.42Å; D1360-R1383 IonicContact OD1-NH1 3.91Å; D1360-R1383 IonicContact OD2-NH1 2.74Å; D1360-R1383 PolarHBondContact OD2-NH1 3.25Å; T1364-R1383 WeakPolarHBondContact OG1-CD 3.07Å; L1379-R1383 VanDerWaalsContact O-CB 3.27Å; L1379-R1383 WeakPolarHBondContact O-CB 3.37Å; L1379-R1383 PolarHBondContact O-N 3.11Å; R1383-A1385 PolarHBondContact O-N 3.4Å; R1383-L1386 PolarHBondContact O-N 3.4Å; R1383-V1387 HydrophobicContact CG-CG2 4.5Å; R1383-V1387 WeakPolarHBondContact O-CB 3.28Å; R1383-V1387 PolarHBondContact O-N 2.81Å
1384S71.2Confident73.6Confident69 Ų6928.6 Ų28.648%0.48318%0.175SC..Hα-helixtrans-61.8-26.5178-55.10000112.4S1380 K1502S1380-S1384 WeakPolarHBondContact O-CB 3.33Å; S1380-S1384 PolarHBondContact O-N 2.82Å; S1380-S1384 PolarHBondContact O-OG 3.05Å; S1384-K1502 WeakPolarHBondContact O-CD 3.43Å; S1384-K1502 WeakPolarHBondContact O-CE 3.48Å; S1384-K1502 PolarHBondContact O-NZ 3.47Å
1385A67.2Low74.9Confident8 Ų826.9 Ų26.97%0.06617%0.168CC..Hα-helixtrans-75.5-42.1176.100000112.6D1381 I1382 R1383 N1391 N1433 Y1500 K1502D1381-A1385 WeakPolarHBondContact O-CA 3.36Å; D1381-A1385 WeakPolarHBondContact O-CB 3.28Å; D1381-A1385 PolarHBondContact O-N 2.89Å; I1382-A1385 WeakPolarHBondContact O-CB 3.3Å; I1382-A1385 PolarHBondContact O-N 3.41Å; R1383-A1385 PolarHBondContact O-N 3.4Å; A1385-N1391 PolarHBondContact O-ND2 2.83Å; A1385-N1433 PolarHBondContact O-ND2 3.01Å; A1385-Y1500 HydrophobicContact CB-CD1 3.64Å; A1385-Y1500 HydrophobicContact CB-CE1 4.11Å; A1385-Y1500 HydrophobicContact CB-CG 4.15Å; A1385-K1502 VanDerWaalsContact C-NZ 3.27Å; A1385-K1502 VanDerWaalsContact O-CE 3.29Å; A1385-K1502 WeakPolarHBondContact O-CE 3.39Å; A1385-K1502 PolarHBondContact O-NZ 3.38Å
1386L75.5Confident76.2Confident4 Ų423.6 Ų23.62%0.02115%0.145CC..Hα-helixtrans-80.2-51.1-179.1-77.2166.9000112.5V1363 I1367 I1382 R1383 N1388 N1391 Q1491 I1492V1363-L1386 HydrophobicContact CG1-CB 4.12Å; V1363-L1386 HydrophobicContact CG1-CD1 4.14Å; I1367-L1386 HydrophobicContact CD1-CD1 4.07Å; I1367-L1386 HydrophobicContact CG1-CD1 4.46Å; I1382-L1386 HydrophobicContact CG2-CD1 3.9Å; I1382-L1386 PolarHBondContact O-N 3.1Å; R1383-L1386 PolarHBondContact O-N 3.4Å; L1386-N1388 PolarHBondContact O-N 3.43Å; L1386-N1391 WeakPolarHBondContact CA-ND2 3.37Å; L1386-N1391 PolarHBondContact O-ND2 3.11Å; L1386-Q1491 HydrophobicContact CD2-CB 4.13Å; L1386-I1492 HydrophobicContact CD1-CG1 4.12Å; L1386-I1492 HydrophobicContact CD2-CG1 4.03Å
1387V81.1Confident77.4Confident26 Ų2623.2 Ų23.216%0.15814%0.142CC..SBendtrans-79.1100.6-178.4-175.70000108.6D1360 V1363 R1383 F1392D1360-V1387 HydrophobicContact CB-CG1 4.44Å; V1363-V1387 HydrophobicContact CB-CG2 3.98Å; V1363-V1387 HydrophobicContact CG1-CG2 3.91Å; V1363-V1387 HydrophobicContact CG2-CG2 4.3Å; R1383-V1387 HydrophobicContact CG-CG2 4.5Å; R1383-V1387 WeakPolarHBondContact O-CB 3.28Å; R1383-V1387 PolarHBondContact O-N 2.81Å; V1387-F1392 HydrophobicContact CB-CZ 4.31Å; V1387-F1392 HydrophobicContact CG1-CE2 4.06Å; V1387-F1392 HydrophobicContact CG1-CZ 3.98Å
1388N78.4Confident78.4Confident48 Ų4824.9 Ų24.926%0.25714%0.137SC..SBendtrans-169.3134.4-177.8170.718.3000110.7L1386 M1390 N1391 F1392 K1502L1386-N1388 PolarHBondContact O-N 3.43Å; N1388-M1390 WeakPolarHBondContact ND2-CB 3Å; N1388-M1390 PolarHBondContact O-N 3.44Å; N1388-M1390 VanDerWaalsContact O-N 3.09Å; N1388-M1390 PolarHBondContact OD1-N 2.79Å; N1388-N1391 WeakPolarHBondContact O-CB 3.37Å; N1388-N1391 PolarHBondContact O-N 2.92Å; N1388-F1392 WeakPolarHBondContact O-CD2 3.34Å; N1388-F1392 WeakPolarHBondContact O-CG 3.48Å; N1388-F1392 PolarHBondContact O-N 3.29Å; N1388-K1502 WeakPolarHBondContact ND2-CE 3.43Å; N1388-K1502 PolarHBondContact ND2-NZ 2.67Å
1389N82.2Confident79.5Confident34 Ų3426 Ų2618%0.18214%0.141CC..Hα-helixtrans-43.8-41.7171.6-163.2-58.4000113.6N1391 F1392 A1393 K1456 D1460N1389-N1391 PolarHBondContact O-N 3.02Å; N1389-F1392 PolarHBondContact O-N 2.84Å; N1389-A1393 WeakPolarHBondContact O-CB 3.43Å; N1389-A1393 PolarHBondContact O-N 3.02Å; N1389-K1456 PolarHBondContact ND2-O 2.88Å; N1389-K1456 VanDerWaalsContact ND2-O 3.09Å; N1389-K1456 WeakPolarHBondContact OD1-CA 3.38Å; N1389-K1456 PolarHBondContact OD1-O 3.19Å; N1389-D1460 PolarHBondContact ND2-OD1 2.97Å
1390M78.1Confident80.3Confident41 Ų4125.9 Ų25.920%0.20214%0.142CC..Hα-helixtrans-63.3-41176.3-176.9175.8-161.300113.8N1388 S1394 F1432 L1436 V1454N1388-M1390 WeakPolarHBondContact ND2-CB 3Å; N1388-M1390 PolarHBondContact O-N 3.44Å; N1388-M1390 VanDerWaalsContact O-N 3.09Å; N1388-M1390 PolarHBondContact OD1-N 2.79Å; M1390-S1394 PolarHBondContact O-N 2.59Å; M1390-S1394 VanDerWaalsContact O-N 3.11Å; M1390-F1432 HydrophobicContact CE-CB 4.21Å; M1390-L1436 HydrophobicContact CE-CB 4.48Å; M1390-V1454 HydrophobicContact CB-CG2 4.4Å; M1390-V1454 HydrophobicContact CE-CG2 4.26Å; M1390-V1454 HydrophobicContact CG-CG2 3.98Å; M1390-V1454 HydrophobicContact SD-CG2 4.44Å
1391N81.4Confident81.4Confident3 Ų324.1 Ų24.12%0.01613%0.13CC..Hα-helixtrans-67.4-48.7175.1-82.8-6.1000110.1A1385 L1386 N1388 N1389 A1393 S1394 I1395 N1433A1385-N1391 PolarHBondContact O-ND2 2.83Å; L1386-N1391 WeakPolarHBondContact CA-ND2 3.37Å; L1386-N1391 PolarHBondContact O-ND2 3.11Å; N1388-N1391 WeakPolarHBondContact O-CB 3.37Å; N1388-N1391 PolarHBondContact O-N 2.92Å; N1389-N1391 PolarHBondContact O-N 3.02Å; N1391-A1393 VanDerWaalsContact C-N 3.35Å; N1391-A1393 PolarHBondContact O-N 2.81Å; N1391-S1394 WeakPolarHBondContact O-CB 3.35Å; N1391-S1394 PolarHBondContact O-N 3.47Å; N1391-S1394 VanDerWaalsContact O-N 3.07Å; N1391-S1394 PolarHBondContact O-OG 2.58Å; N1391-I1395 WeakPolarHBondContact O-CG1 3.05Å; N1391-I1395 PolarHBondContact O-N 3.09Å; N1391-N1433 PolarHBondContact ND2-ND2 2.95Å; N1391-N1433 PolarHBondContact OD1-ND2 3.24Å
1392F89.4Confident82.4Confident0 Ų022.6 Ų22.60%012%0.121CC..Hα-helixtrans-60.6-43.1-179.6-62.7-32.1000111.6L1359 V1387 N1388 N1389 S1394 I1395 A1396 F1462 E1463 M1488L1359-F1392 HydrophobicContact CB-CZ 4.41Å; L1359-F1392 HydrophobicContact CD1-CE1 4.45Å; L1359-F1392 HydrophobicContact CD1-CZ 4.21Å; V1387-F1392 HydrophobicContact CB-CZ 4.31Å; V1387-F1392 HydrophobicContact CG1-CE2 4.06Å; V1387-F1392 HydrophobicContact CG1-CZ 3.98Å; N1388-F1392 WeakPolarHBondContact O-CD2 3.34Å; N1388-F1392 WeakPolarHBondContact O-CG 3.48Å; N1388-F1392 PolarHBondContact O-N 3.29Å; N1389-F1392 PolarHBondContact O-N 2.84Å; F1392-S1394 VanDerWaalsContact C-N 3.35Å; F1392-S1394 PolarHBondContact O-N 2.88Å; F1392-I1395 PolarHBondContact O-N 3.37Å; F1392-A1396 WeakPolarHBondContact O-CB 3.46Å; F1392-A1396 PolarHBondContact O-N 3.16Å; F1392-F1462 HydrophobicContact CB-CB 4.05Å; F1392-F1462 HydrophobicContact CB-CD1 3.66Å; F1392-F1462 HydrophobicContact CB-CE1 4.44Å; F1392-F1462 HydrophobicContact CB-CG 4.08Å; F1392-F1462 AromaticContact CD1-CD1 3.46Å; F1392-F1462 HydrophobicContact CD1-CD1 3.46Å; F1392-F1462 VanDerWaalsContact CD1-CD1 3.46Å; F1392-F1462 AromaticContact CD1-CE1 3.47Å; F1392-F1462 HydrophobicContact CD1-CE1 3.47Å; F1392-F1462 VanDerWaalsContact CD1-CE1 3.47Å; F1392-F1462 HydrophobicContact CD2-CD1 4.47Å; F1392-F1462 HydrophobicContact CE1-CD1 4.18Å; F1392-F1462 AromaticContact CE1-CE1 3.95Å; F1392-F1462 HydrophobicContact CE1-CE1 3.95Å; F1392-F1462 AromaticContact CG-CD1 3.63Å; F1392-F1462 HydrophobicContact CG-CD1 3.63Å; F1392-F1462 HydrophobicContact CG-CE1 4.15Å; F1392-E1463 HydrophobicContact CD2-CG 4.11Å; F1392-E1463 WeakPolarHBondContact CD2-OE1 3.35Å; F1392-E1463 HydrophobicContact CE2-CG 4.16Å; F1392-E1463 WeakPolarHBondContact CE2-OE1 3.47Å; F1392-M1488 HydrophobicContact CE1-CE 3.91Å
1393A87.1Confident83.2Confident0 Ų027.4 Ų27.40%014%0.141CC..Hα-helixtrans-58.8-41.4171.500000112.6N1389 N1391 V1397 F1419 V1454 L1458N1389-A1393 WeakPolarHBondContact O-CB 3.43Å; N1389-A1393 PolarHBondContact O-N 3.02Å; N1391-A1393 VanDerWaalsContact C-N 3.35Å; N1391-A1393 PolarHBondContact O-N 2.81Å; A1393-V1397 WeakPolarHBondContact O-CB 3.23Å; A1393-V1397 WeakPolarHBondContact O-CG2 3.45Å; A1393-V1397 PolarHBondContact O-N 2.66Å; A1393-F1419 HydrophobicContact CB-CE1 3.85Å; A1393-F1419 HydrophobicContact CB-CZ 4.14Å; A1393-V1454 HydrophobicContact CB-CG1 3.68Å; A1393-L1458 HydrophobicContact CB-CB 3.57Å
1394S83Confident83.9Confident8 Ų827.5 Ų27.56%0.05614%0.142CC..Hα-helixtrans-65.2-41.1175.582.20000112.3M1390 N1391 F1392 V1397 K1398M1390-S1394 PolarHBondContact O-N 2.59Å; M1390-S1394 VanDerWaalsContact O-N 3.11Å; N1391-S1394 WeakPolarHBondContact O-CB 3.35Å; N1391-S1394 PolarHBondContact O-N 3.47Å; N1391-S1394 VanDerWaalsContact O-N 3.07Å; N1391-S1394 PolarHBondContact O-OG 2.58Å; F1392-S1394 VanDerWaalsContact C-N 3.35Å; F1392-S1394 PolarHBondContact O-N 2.88Å; S1394-V1397 PolarHBondContact O-N 3.11Å; S1394-K1398 WeakPolarHBondContact O-CB 3.46Å; S1394-K1398 PolarHBondContact O-N 3.01Å
1395I87.7Confident84.7Confident2 Ų225.2 Ų25.21%0.0112%0.124CC..Hα-helixtrans-69.5-43.8178.4-66.8160000110.3N1391 F1392 V1397 K1398 H1399 F1462 M1487 M1488 Q1491N1391-I1395 WeakPolarHBondContact O-CG1 3.05Å; N1391-I1395 PolarHBondContact O-N 3.09Å; F1392-I1395 PolarHBondContact O-N 3.37Å; I1395-V1397 VanDerWaalsContact C-N 3.31Å; I1395-V1397 PolarHBondContact O-N 3.05Å; I1395-K1398 PolarHBondContact O-N 3.17Å; I1395-H1399 WeakPolarHBondContact CG2-ND1 3.42Å; I1395-H1399 PolarHBondContact O-N 2.92Å; I1395-H1399 PolarHBondContact O-ND1 3.45Å; I1395-F1462 HydrophobicContact CB-CE2 4.28Å; I1395-F1462 HydrophobicContact CB-CZ 4.37Å; I1395-F1462 HydrophobicContact CG2-CD2 4.32Å; I1395-F1462 HydrophobicContact CG2-CE2 3.48Å; I1395-F1462 VanDerWaalsContact CG2-CE2 3.48Å; I1395-F1462 HydrophobicContact CG2-CZ 3.64Å; I1395-M1487 HydrophobicContact CG2-CB 4.17Å; I1395-M1488 HydrophobicContact CD1-CG 4.19Å; I1395-Q1491 HydrophobicContact CD1-CG 4.21Å; I1395-Q1491 HydrophobicContact CG1-CG 4.46Å
1396A91.1Very high85.7Confident0 Ų025.1 Ų25.10%012%0.122CC..Hα-helixtrans-60.4-38174.600000111.7F1392 G1400 Y1401 L1458 F1462F1392-A1396 WeakPolarHBondContact O-CB 3.46Å; F1392-A1396 PolarHBondContact O-N 3.16Å; A1396-G1400 CarbonylContact O-C 3.58Å; A1396-G1400 PolarHBondContact O-N 3.3Å; A1396-Y1401 HydrophobicContact CB-CD1 4.36Å; A1396-Y1401 HydrophobicContact CB-CD2 4.34Å; A1396-Y1401 HydrophobicContact CB-CG 3.98Å; A1396-Y1401 WeakPolarHBondContact O-CB 3.35Å; A1396-Y1401 PolarHBondContact O-N 3.17Å; A1396-L1458 WeakPolarHBondContact CB-O 3.3Å; A1396-F1462 HydrophobicContact CB-CB 4.3Å; A1396-F1462 HydrophobicContact CB-CD2 4.3Å
1397V88.9Confident86.1Confident14 Ų1425.7 Ų25.79%0.08513%0.127CC..Hα-helixtrans-70.7-44.4171.9171.30000111.9A1393 S1394 I1395 H1399 G1400 H1402 F1419 V1420 L1423 L1458A1393-V1397 WeakPolarHBondContact O-CB 3.23Å; A1393-V1397 WeakPolarHBondContact O-CG2 3.45Å; A1393-V1397 PolarHBondContact O-N 2.66Å; S1394-V1397 PolarHBondContact O-N 3.11Å; I1395-V1397 VanDerWaalsContact C-N 3.31Å; I1395-V1397 PolarHBondContact O-N 3.05Å; V1397-H1399 VanDerWaalsContact C-N 3.3Å; V1397-H1399 PolarHBondContact O-N 3.29Å; V1397-G1400 PolarHBondContact O-N 2.96Å; V1397-G1400 VanDerWaalsContact O-N 3.16Å; V1397-H1402 PolarHBondContact O-CE1 3.42Å; V1397-F1419 HydrophobicContact CG2-CD1 4.09Å; V1397-F1419 HydrophobicContact CG2-CE1 4.08Å; V1397-V1420 HydrophobicContact CG1-CB 4.43Å; V1397-V1420 HydrophobicContact CG1-CG1 4.41Å; V1397-V1420 HydrophobicContact CG1-CG2 3.92Å; V1397-V1420 HydrophobicContact CG2-CG2 3.77Å; V1397-L1423 HydrophobicContact CB-CD1 3.58Å; V1397-L1423 HydrophobicContact CG1-CB 4.28Å; V1397-L1423 HydrophobicContact CG1-CD1 3.58Å; V1397-L1423 HydrophobicContact CG2-CD1 3.92Å; V1397-L1458 HydrophobicContact CG2-CD1 3.98Å
1398K85.2Confident85.8Confident79 Ų7925.9 Ų25.934%0.34313%0.13SC..Hα-helixtrans-58.2-39.7179-167.2163.5-173.61590112.5S1394 I1395 K1428 D1429S1394-K1398 WeakPolarHBondContact O-CB 3.46Å; S1394-K1398 PolarHBondContact O-N 3.01Å; I1395-K1398 PolarHBondContact O-N 3.17Å; K1398-K1428 PolarHBondContact NZ-O 3.12Å; K1398-D1429 IonicContact NZ-OD1 3.77Å; K1398-D1429 PolarHBondContact NZ-OD1 2.8Å
1399H89.2Confident85.6Confident58 Ų5824.8 Ų24.827%0.26912%0.124SC..Hα-helixtrans-91.1-12.6177.6-61.192.2000114V1319 I1395 V1397 Y1401 M1487V1319-H1399 HydrophobicContact CG1-CB 4.23Å; V1319-H1399 WeakPolarHBondContact CG1-O 3.47Å; I1395-H1399 WeakPolarHBondContact CG2-ND1 3.42Å; I1395-H1399 PolarHBondContact O-N 2.92Å; I1395-H1399 PolarHBondContact O-ND1 3.45Å; V1397-H1399 VanDerWaalsContact C-N 3.3Å; V1397-H1399 PolarHBondContact O-N 3.29Å; H1399-Y1401 HydrophobicContact CB-CD2 4.16Å; H1399-Y1401 HydrophobicContact CB-CE2 4.07Å; H1399-M1487 HydrophobicContact CB-SD 4.26Å; H1399-M1487 PolarHBondContact CE1-O 3Å
1400G87.9Confident85Confident6 Ų625.4 Ų25.46%0.06213%0.13CC..THydrogen-bonded Turntrans98.114.1167.900000117.1A1396 V1397 H1402 K1403A1396-G1400 CarbonylContact O-C 3.58Å; A1396-G1400 PolarHBondContact O-N 3.3Å; V1397-G1400 PolarHBondContact O-N 2.96Å; V1397-G1400 VanDerWaalsContact O-N 3.16Å; G1400-H1402 PolarHBondContact O-N 3.39Å; G1400-H1402 VanDerWaalsContact O-N 3.17Å; G1400-K1403 WeakPolarHBondContact O-CB 3.37Å; G1400-K1403 WeakPolarHBondContact O-CG 3.47Å; G1400-K1403 PolarHBondContact O-N 3.21Å
1401Y93.2Very high84.5Confident0 Ų026 Ų260%014%0.141CC..G310 helixtrans-50.5-40178.6-75.5-130000112.1F1316 L1320 A1396 H1399 K1403 Y1404 L1405 I1461 F1462 V1465 Y1484 M1487F1316-Y1401 HydrophobicContact CE2-CD1 4.4Å; F1316-Y1401 AromaticContact CE2-CD2 3.64Å; F1316-Y1401 HydrophobicContact CE2-CD2 3.64Å; F1316-Y1401 AromaticContact CE2-CE2 3.92Å; F1316-Y1401 HydrophobicContact CE2-CE2 3.92Å; F1316-Y1401 AromaticContact CE2-CG 3.89Å; F1316-Y1401 HydrophobicContact CE2-CG 3.89Å; F1316-Y1401 AromaticContact CZ-CD1 3.68Å; F1316-Y1401 HydrophobicContact CZ-CD1 3.68Å; F1316-Y1401 AromaticContact CZ-CD2 3.7Å; F1316-Y1401 HydrophobicContact CZ-CD2 3.7Å; F1316-Y1401 AromaticContact CZ-CE1 3.78Å; F1316-Y1401 HydrophobicContact CZ-CE1 3.78Å; F1316-Y1401 AromaticContact CZ-CE2 3.8Å; F1316-Y1401 HydrophobicContact CZ-CE2 3.8Å; F1316-Y1401 AromaticContact CZ-CG 3.63Å; F1316-Y1401 HydrophobicContact CZ-CG 3.63Å; F1316-Y1401 AromaticContact CZ-CZ 3.84Å; L1320-Y1401 HydrophobicContact CD2-CE2 4.33Å; L1320-Y1401 WeakPolarHBondContact CD2-OH 3.42Å; A1396-Y1401 HydrophobicContact CB-CD1 4.36Å; A1396-Y1401 HydrophobicContact CB-CD2 4.34Å; A1396-Y1401 HydrophobicContact CB-CG 3.98Å; A1396-Y1401 WeakPolarHBondContact O-CB 3.35Å; A1396-Y1401 PolarHBondContact O-N 3.17Å; H1399-Y1401 HydrophobicContact CB-CD2 4.16Å; H1399-Y1401 HydrophobicContact CB-CE2 4.07Å; Y1401-K1403 PolarHBondContact O-N 3Å; Y1401-Y1404 PolarHBondContact O-N 2.8Å; Y1401-L1405 PolarHBondContact O-N 3.02Å; Y1401-I1461 HydrophobicContact CD1-CG1 4.33Å; Y1401-F1462 HydrophobicContact CD1-CD2 4.43Å; Y1401-F1462 HydrophobicContact CE1-CB 4.45Å; Y1401-F1462 AromaticContact CE1-CD2 3.76Å; Y1401-F1462 HydrophobicContact CE1-CD2 3.76Å; Y1401-F1462 HydrophobicContact CE2-CD2 4.18Å; Y1401-F1462 HydrophobicContact CE2-CE2 4.41Å; Y1401-F1462 AromaticContact CZ-CD2 3.62Å; Y1401-F1462 AromaticContact CZ-CE2 3.98Å; Y1401-V1465 HydrophobicContact CE1-CB 4.03Å; Y1401-V1465 HydrophobicContact CE1-CG1 4.25Å; Y1401-V1465 HydrophobicContact CE1-CG2 4.12Å; Y1401-Y1484 PolarHBondContact OH-OH 3.14Å; Y1401-Y1484 VanDerWaalsContact OH-OH 3.08Å; Y1401-M1487 HydrophobicContact CE2-SD 4.26Å
1402H89Confident84.4Confident35 Ų3525.9 Ų25.916%0.16214%0.141CC..G310 helixtrans-52.8-20.5176.964.5-88.4000115.1V1397 G1400 V1416 V1420 L1458V1397-H1402 PolarHBondContact O-CE1 3.42Å; G1400-H1402 PolarHBondContact O-N 3.39Å; G1400-H1402 VanDerWaalsContact O-N 3.17Å; H1402-V1416 HydrophobicContact CB-CG1 3.99Å; H1402-V1420 HydrophobicContact CB-CG2 4.3Å; H1402-L1458 HydrophobicContact CB-CD2 3.83Å
1403K85.6Confident83.8Confident111 Ų11128.3 Ų28.348%0.48315%0.15SC..G310 helixtrans-78.7-26.1177.9-61175-180169.20112.7G1400 Y1401G1400-K1403 WeakPolarHBondContact O-CB 3.37Å; G1400-K1403 WeakPolarHBondContact O-CG 3.47Å; G1400-K1403 PolarHBondContact O-N 3.21Å; Y1401-K1403 PolarHBondContact O-N 3Å
1404Y89.5Confident83Confident32 Ų3232.2 Ų32.213%0.12517%0.171CC..THydrogen-bonded Turntrans-103.2-14.3-175.2-56.4-81.3000113.1L1313 F1316 Y1401 M1406L1313-Y1404 HydrophobicContact CD2-CD1 3.85Å; L1313-Y1404 HydrophobicContact CD2-CG 4.38Å; F1316-Y1404 HydrophobicContact CB-CD1 4.19Å; F1316-Y1404 HydrophobicContact CB-CD2 4.13Å; F1316-Y1404 HydrophobicContact CB-CE1 3.97Å; F1316-Y1404 HydrophobicContact CB-CE2 3.94Å; F1316-Y1404 HydrophobicContact CB-CG 4.25Å; F1316-Y1404 AromaticContact CD2-CD2 3.44Å; F1316-Y1404 HydrophobicContact CD2-CD2 3.44Å; F1316-Y1404 VanDerWaalsContact CD2-CD2 3.44Å; F1316-Y1404 AromaticContact CD2-CE2 3.47Å; F1316-Y1404 HydrophobicContact CD2-CE2 3.47Å; F1316-Y1404 VanDerWaalsContact CD2-CE2 3.47Å; F1316-Y1404 HydrophobicContact CD2-CG 4.21Å; F1316-Y1404 HydrophobicContact CE2-CD2 4.02Å; F1316-Y1404 HydrophobicContact CE2-CE2 4.33Å; F1316-Y1404 AromaticContact CG-CD2 3.85Å; F1316-Y1404 HydrophobicContact CG-CD2 3.85Å; F1316-Y1404 AromaticContact CG-CE2 3.99Å; F1316-Y1404 HydrophobicContact CG-CE2 3.99Å; F1316-Y1404 HydrophobicContact CG-CG 4.17Å; Y1401-Y1404 PolarHBondContact O-N 2.8Å; Y1404-M1406 PolarHBondContact O-N 3.42Å
1405L89Confident82.6Confident21 Ų2133 Ų3311%0.1118%0.177CC..  trans-49.6117.9171.9173.759.9000112H1336 Y1401 A1407 V1416 V1457 I1461H1336-L1405 HydrophobicContact CB-CD1 4.18Å; Y1401-L1405 PolarHBondContact O-N 3.02Å; L1405-A1407 HydrophobicContact CG-CB 4.41Å; L1405-A1407 PolarHBondContact O-N 3.29Å; L1405-V1416 HydrophobicContact CD2-CG2 4.4Å; L1405-V1457 HydrophobicContact CD1-CG2 3.9Å; L1405-V1457 HydrophobicContact CD2-CG1 3.96Å; L1405-V1457 HydrophobicContact CD2-CG2 4.32Å; L1405-I1461 HydrophobicContact CB-CD1 4.11Å; L1405-I1461 HydrophobicContact CD1-CD1 4.16Å; L1405-I1461 HydrophobicContact CD1-CG2 4.15Å; L1405-I1461 HydrophobicContact CG-CD1 4.48Å
1406M87.3Confident82.3Confident6 Ų633.4 Ų33.43%0.0318%0.18CC..BIsolated β-bridgetrans-92.396.7174.5-72.5173-81.300110T1307 L1311 V1331 L1334 T1335 H1336 Y1339 Y1404T1307-M1406 HydrophobicContact CG2-SD 3.83Å; L1311-M1406 HydrophobicContact CD1-CE 4Å; L1311-M1406 HydrophobicContact CD1-CG 3.66Å; L1311-M1406 HydrophobicContact CD1-SD 3.52Å; L1311-M1406 VanDerWaalsContact CD1-SD 3.52Å; V1331-M1406 HydrophobicContact CG1-CE 4.05Å; V1331-M1406 VanDerWaalsContact O-CE 3.32Å; V1331-M1406 WeakPolarHBondContact O-CE 3.42Å; L1334-M1406 HydrophobicContact CB-CE 3.63Å; L1334-M1406 WeakPolarHBondContact O-CB 3.16Å; L1334-M1406 PolarHBondContact O-N 3.37Å; T1335-M1406 VanDerWaalsContact OG1-CE 3.32Å; T1335-M1406 WeakPolarHBondContact OG1-CE 3.4Å; H1336-M1406 WeakPolarHBondContact CB-O 3.26Å; H1336-M1406 PolarHBondContact N-O 2.93Å; Y1339-M1406 HydrophobicContact CD1-CB 3.95Å; Y1339-M1406 HydrophobicContact CD2-CB 3.91Å; Y1339-M1406 HydrophobicContact CE1-CB 3.99Å; Y1339-M1406 HydrophobicContact CE1-CG 4.19Å; Y1339-M1406 HydrophobicContact CE1-SD 3.9Å; Y1339-M1406 HydrophobicContact CE2-CB 3.98Å; Y1339-M1406 HydrophobicContact CE2-CG 4.35Å; Y1339-M1406 HydrophobicContact CG-CB 3.95Å; Y1404-M1406 PolarHBondContact O-N 3.42Å
1407A83.9Confident81.7Confident15 Ų1535 Ų3512%0.12420%0.197CC..  trans-125.7162.5172.600000111.3M26 H1336 L1405 L1412M26-A1407 WeakPolarHBondContact CE-O 3.38Å; H1336-A1407 HydrophobicContact CB-CB 4.04Å; L1405-A1407 HydrophobicContact CG-CB 4.41Å; L1405-A1407 PolarHBondContact O-N 3.29Å; A1407-L1412 HydrophobicContact CB-CD2 4.09Å
1408S75.3Confident80.9Confident30 Ų3039 Ų3921%0.2122%0.217CC..  trans-131.814.8176.5-600000114.1Y22 S1338 Y1339 C1340Y22-S1408 WeakPolarHBondContact OH-CA 3.41Å; S1338-S1408 WeakPolarHBondContact O-CB 3.45Å; S1338-S1408 PolarHBondContact OG-N 2.97Å; Y1339-S1408 VanDerWaalsContact CD2-OG 3.29Å; Y1339-S1408 WeakPolarHBondContact CD2-OG 3.48Å; C1340-S1408 PolarHBondContact N-OG 2.83Å; C1340-S1408 PolarHBondContact SG-OG 2.79Å
1409N74.4Confident80.6Confident26 Ų2635.6 Ų35.614%0.13920%0.203CC..  trans-98.2128.1174.8-173.4-63.4000111.4Y532 A1411 L1412 Y1413Y532-N1409 WeakPolarHBondContact CA-ND2 3.49Å; Y532-N1409 WeakPolarHBondContact O-CB 3.48Å; Y532-N1409 PolarHBondContact O-ND2 2.83Å; N1409-A1411 WeakPolarHBondContact OD1-CA 3.35Å; N1409-A1411 WeakPolarHBondContact OD1-CB 3.47Å; N1409-A1411 PolarHBondContact OD1-N 2.91Å; N1409-L1412 HydrophobicContact CB-CB 4.09Å; N1409-L1412 PolarHBondContact OD1-N 3.29Å; N1409-L1412 VanDerWaalsContact OD1-N 3.15Å; N1409-Y1413 PolarHBondContact O-N 3.3Å
1410P67.8Low80.3Confident47 Ų4733.3 Ų33.331%0.30519%0.193SC..Hα-helixtrans-68.1-35.3178.5-1728.8000114.7Y22 Y1413 N1414Y22-P1410 HydrophobicContact CD1-CB 3.91Å; Y22-P1410 HydrophobicContact CD1-CG 3.67Å; Y22-P1410 HydrophobicContact CE1-CB 4.31Å; Y22-P1410 HydrophobicContact CE1-CG 3.89Å; Y22-P1410 HydrophobicContact CG-CB 4.08Å; Y22-P1410 HydrophobicContact CG-CG 4.35Å; P1410-Y1413 PolarHBondContact O-N 3.02Å; P1410-N1414 VanDerWaalsContact O-CG 3.22Å; P1410-N1414 PolarHBondContact O-N 3.05Å; P1410-N1414 PolarHBondContact O-OD1 3.37Å
1411A68.5Low79.6Confident52 Ų5237.4 Ų37.443%0.4321%0.209SC..Hα-helixtrans-69.2-41-179.900000111.2Y532 N1409 Y1413 N1414 A1415Y532-A1411 HydrophobicContact CD1-CB 4.08Å; Y532-A1411 HydrophobicContact CE1-CB 4Å; N1409-A1411 WeakPolarHBondContact OD1-CA 3.35Å; N1409-A1411 WeakPolarHBondContact OD1-CB 3.47Å; N1409-A1411 PolarHBondContact OD1-N 2.91Å; A1411-Y1413 VanDerWaalsContact C-N 3.33Å; A1411-Y1413 PolarHBondContact O-N 3.17Å; A1411-N1414 PolarHBondContact O-N 3.09Å; A1411-A1415 WeakPolarHBondContact O-CB 3.43Å; A1411-A1415 PolarHBondContact O-N 2.95Å
1412L78.5Confident78.6Confident2 Ų238 Ų381%0.0121%0.213CC..Hα-helixtrans-61-43.3172.8-175.852.1000111.7Y532 A1407 N1409 N1414 A1415 V1416 P1455 V1457Y532-L1412 HydrophobicContact CD1-CB 3.79Å; Y532-L1412 HydrophobicContact CD2-CB 4.1Å; Y532-L1412 HydrophobicContact CD2-CD1 3.68Å; Y532-L1412 HydrophobicContact CD2-CD2 4.26Å; Y532-L1412 HydrophobicContact CD2-CG 4.22Å; Y532-L1412 HydrophobicContact CE1-CB 4.24Å; Y532-L1412 HydrophobicContact CE2-CD1 3.68Å; Y532-L1412 HydrophobicContact CG-CB 3.7Å; Y532-L1412 HydrophobicContact CG-CD1 4.19Å; Y532-L1412 HydrophobicContact CG-CD2 4.34Å; Y532-L1412 HydrophobicContact CG-CG 4.3Å; A1407-L1412 HydrophobicContact CB-CD2 4.09Å; N1409-L1412 HydrophobicContact CB-CB 4.09Å; N1409-L1412 PolarHBondContact OD1-N 3.29Å; N1409-L1412 VanDerWaalsContact OD1-N 3.15Å; L1412-N1414 VanDerWaalsContact C-N 3.34Å; L1412-N1414 PolarHBondContact O-N 2.59Å; L1412-A1415 PolarHBondContact O-N 2.84Å; L1412-V1416 HydrophobicContact CD1-CG2 4.23Å; L1412-V1416 WeakPolarHBondContact O-CG2 3.46Å; L1412-V1416 PolarHBondContact O-N 3.37Å; L1412-P1455 HydrophobicContact CD1-CB 4.45Å; L1412-V1457 HydrophobicContact CD1-CG1 3.76Å; L1412-V1457 HydrophobicContact CD2-CG1 4.38Å; L1412-V1457 HydrophobicContact CG-CG1 4.43Å
1413Y77.3Confident77.7Confident51 Ų5136.7 Ų36.720%0.221%0.207CC..Hα-helixtrans-60.9-42.2176.1-179.6-102.1000112.3Y22 V1069 N1409 P1410 A1411 G1417Y22-Y1413 AromaticContact CD2-CD1 3.53Å; Y22-Y1413 HydrophobicContact CD2-CD1 3.53Å; Y22-Y1413 HydrophobicContact CD2-CD2 4.45Å; Y22-Y1413 HydrophobicContact CD2-CE1 4.12Å; Y22-Y1413 AromaticContact CD2-CG 3.71Å; Y22-Y1413 HydrophobicContact CD2-CG 3.71Å; Y22-Y1413 AromaticContact CE2-CD1 3.92Å; Y22-Y1413 HydrophobicContact CE2-CD1 3.92Å; Y22-Y1413 HydrophobicContact CE2-CD2 4.06Å; Y22-Y1413 AromaticContact CE2-CG 3.57Å; Y22-Y1413 HydrophobicContact CE2-CG 3.57Å; V1069-Y1413 HydrophobicContact CG2-CE1 3.92Å; N1409-Y1413 PolarHBondContact O-N 3.3Å; P1410-Y1413 PolarHBondContact O-N 3.02Å; A1411-Y1413 VanDerWaalsContact C-N 3.33Å; A1411-Y1413 PolarHBondContact O-N 3.17Å; Y1413-G1417 PolarHBondContact O-N 3.19Å
1414N71.1Confident77Confident82 Ų8235.5 Ų35.544%0.43921%0.205SC..Hα-helixtrans-66.9-41.2176-68.3-7.6000112.2P1410 A1411 L1412 G1417 N1418P1410-N1414 VanDerWaalsContact O-CG 3.22Å; P1410-N1414 PolarHBondContact O-N 3.05Å; P1410-N1414 PolarHBondContact O-OD1 3.37Å; A1411-N1414 PolarHBondContact O-N 3.09Å; L1412-N1414 VanDerWaalsContact C-N 3.34Å; L1412-N1414 PolarHBondContact O-N 2.59Å; N1414-G1417 PolarHBondContact O-N 2.76Å; N1414-N1418 WeakPolarHBondContact O-CB 3.43Å; N1414-N1418 VanDerWaalsContact O-CG 3.25Å; N1414-N1418 PolarHBondContact O-N 3.32Å; N1414-N1418 PolarHBondContact O-ND2 3.35Å
1415A74.5Confident76Confident23 Ų2339.9 Ų39.919%0.1923%0.226CC..Hα-helixtrans-62.5-47177.200000111.5A1411 L1412 N1418 F1419 P1455A1411-A1415 WeakPolarHBondContact O-CB 3.43Å; A1411-A1415 PolarHBondContact O-N 2.95Å; L1412-A1415 PolarHBondContact O-N 2.84Å; A1415-N1418 PolarHBondContact O-N 3.49Å; A1415-F1419 WeakPolarHBondContact O-CB 3.25Å; A1415-F1419 PolarHBondContact O-N 3.35Å; A1415-P1455 HydrophobicContact CB-CB 4.47Å; A1415-P1455 HydrophobicContact CB-CG 4.02Å
1416V82Confident74.8Confident12 Ų1241.6 Ų41.67%0.07324%0.235CC..Hα-helixtrans-61-44.6173.3171.50000111.3H1402 L1405 L1412 N1418 F1419 V1420 P1455 V1457 L1458H1402-V1416 HydrophobicContact CB-CG1 3.99Å; L1405-V1416 HydrophobicContact CD2-CG2 4.4Å; L1412-V1416 HydrophobicContact CD1-CG2 4.23Å; L1412-V1416 WeakPolarHBondContact O-CG2 3.46Å; L1412-V1416 PolarHBondContact O-N 3.37Å; V1416-N1418 PolarHBondContact O-N 3.03Å; V1416-F1419 PolarHBondContact O-N 3.34Å; V1416-V1420 HydrophobicContact CG1-CG2 4.21Å; V1416-V1420 WeakPolarHBondContact O-CB 3.5Å; V1416-V1420 WeakPolarHBondContact O-CG2 3.47Å; V1416-V1420 PolarHBondContact O-N 2.92Å; V1416-P1455 HydrophobicContact CG2-CB 3.94Å; V1416-P1455 HydrophobicContact CG2-CG 4.15Å; V1416-V1457 HydrophobicContact CG2-CG1 4.23Å; V1416-L1458 HydrophobicContact CG1-CD1 4.29Å; V1416-L1458 HydrophobicContact CG1-CD2 4.1Å; V1416-L1458 HydrophobicContact CG2-CD1 4.15Å; V1416-L1458 HydrophobicContact CG2-CD2 4.17Å; V1416-L1458 HydrophobicContact CG2-CG 4.14Å
1417G77.3Confident73.3Confident33 Ų3347.7 Ų47.734%0.3427%0.268SS..Hα-helixtrans-61-42.7177.700000113.4Y1413 N1414 K1421Y1413-G1417 PolarHBondContact O-N 3.19Å; N1414-G1417 PolarHBondContact O-N 2.76Å; G1417-K1421 WeakPolarHBondContact O-CB 3.44Å; G1417-K1421 PolarHBondContact O-N 3.14Å
1418N72.9Confident71.8Confident97 Ų9752.3 Ų52.352%0.51929%0.285SS..Hα-helixtrans-64.7-46.4176.4-73.3-16.3000111.7N1414 A1415 V1416 K1421 V1422N1414-N1418 WeakPolarHBondContact O-CB 3.43Å; N1414-N1418 VanDerWaalsContact O-CG 3.25Å; N1414-N1418 PolarHBondContact O-N 3.32Å; N1414-N1418 PolarHBondContact O-ND2 3.35Å; A1415-N1418 PolarHBondContact O-N 3.49Å; V1416-N1418 PolarHBondContact O-N 3.03Å; N1418-K1421 WeakPolarHBondContact O-CB 3.19Å; N1418-K1421 PolarHBondContact O-N 2.99Å; N1418-V1422 WeakPolarHBondContact O-CG2 3.34Å; N1418-V1422 PolarHBondContact O-N 2.98Å
1419F78.1Confident70.5Confident8 Ų856.8 Ų56.84%0.03531%0.307CS..Hα-helixtrans-63.9-43.6178.2-177.5-111.4000112.1A1393 V1397 A1415 V1416 K1421 V1422 L1423 V1454 P1455 L1458A1393-F1419 HydrophobicContact CB-CE1 3.85Å; A1393-F1419 HydrophobicContact CB-CZ 4.14Å; V1397-F1419 HydrophobicContact CG2-CD1 4.09Å; V1397-F1419 HydrophobicContact CG2-CE1 4.08Å; A1415-F1419 WeakPolarHBondContact O-CB 3.25Å; A1415-F1419 PolarHBondContact O-N 3.35Å; V1416-F1419 PolarHBondContact O-N 3.34Å; F1419-K1421 VanDerWaalsContact C-N 3.3Å; F1419-K1421 PolarHBondContact O-N 3.16Å; F1419-V1422 PolarHBondContact O-N 3.04Å; F1419-L1423 HydrophobicContact CD1-CD1 3.85Å; F1419-L1423 HydrophobicContact CE1-CD1 3.38Å; F1419-L1423 HydrophobicContact CE1-CG 4.25Å; F1419-L1423 HydrophobicContact CE2-CD1 4.28Å; F1419-L1423 HydrophobicContact CE2-CD2 4.46Å; F1419-L1423 HydrophobicContact CE2-CG 4.33Å; F1419-L1423 HydrophobicContact CG-CD1 4.49Å; F1419-L1423 HydrophobicContact CZ-CD1 3.63Å; F1419-L1423 HydrophobicContact CZ-CD2 4.31Å; F1419-L1423 HydrophobicContact CZ-CG 4.14Å; F1419-L1423 WeakPolarHBondContact O-CG 3.42Å; F1419-L1423 PolarHBondContact O-N 3.33Å; F1419-V1454 HydrophobicContact CE1-CG1 4.25Å; F1419-V1454 HydrophobicContact CE2-CB 4.4Å; F1419-V1454 HydrophobicContact CE2-CG1 4.02Å; F1419-V1454 HydrophobicContact CE2-CG2 3.9Å; F1419-V1454 HydrophobicContact CZ-CG1 3.83Å; F1419-V1454 HydrophobicContact CZ-CG2 4.4Å; F1419-P1455 HydrophobicContact CB-CG 4.07Å; F1419-L1458 HydrophobicContact CD1-CD1 3.51Å; F1419-L1458 HydrophobicContact CE1-CD1 3.96Å
1420V82.3Confident69.1Low11 Ų1157.6 Ų57.67%0.06731%0.313CS..Hα-helixtrans-59.4-40.3173.7169.70000111.4V1397 H1402 V1416 I1424V1397-V1420 HydrophobicContact CG1-CB 4.43Å; V1397-V1420 HydrophobicContact CG1-CG1 4.41Å; V1397-V1420 HydrophobicContact CG1-CG2 3.92Å; V1397-V1420 HydrophobicContact CG2-CG2 3.77Å; H1402-V1420 HydrophobicContact CB-CG2 4.3Å; V1416-V1420 HydrophobicContact CG1-CG2 4.21Å; V1416-V1420 WeakPolarHBondContact O-CB 3.5Å; V1416-V1420 WeakPolarHBondContact O-CG2 3.47Å; V1416-V1420 PolarHBondContact O-N 2.92Å; V1420-I1424 HydrophobicContact CG1-CD1 3.86Å; V1420-I1424 WeakPolarHBondContact O-CD1 3.41Å; V1420-I1424 VanDerWaalsContact O-CG1 3.28Å; V1420-I1424 WeakPolarHBondContact O-CG1 3.29Å; V1420-I1424 PolarHBondContact O-N 3.42Å; V1420-I1424 VanDerWaalsContact O-N 3.15Å
1421K74.5Confident68.1Low91 Ų9156.8 Ų56.840%0.39631%0.306SS..Hα-helixtrans-61.9-50.3175.7-177.8-173.2166.7-1710111.6G1417 N1418 F1419 L1423 I1424 E1425G1417-K1421 WeakPolarHBondContact O-CB 3.44Å; G1417-K1421 PolarHBondContact O-N 3.14Å; N1418-K1421 WeakPolarHBondContact O-CB 3.19Å; N1418-K1421 PolarHBondContact O-N 2.99Å; F1419-K1421 VanDerWaalsContact C-N 3.3Å; F1419-K1421 PolarHBondContact O-N 3.16Å; K1421-L1423 VanDerWaalsContact C-N 3.32Å; K1421-L1423 PolarHBondContact O-N 2.99Å; K1421-I1424 PolarHBondContact O-N 2.94Å; K1421-E1425 WeakPolarHBondContact CE-OE1 3.27Å; K1421-E1425 VanDerWaalsContact CE-OE2 3.29Å; K1421-E1425 WeakPolarHBondContact CE-OE2 3.38Å; K1421-E1425 HydrophobicContact CG-CG 4.48Å; K1421-E1425 IonicContact NZ-OE1 3.47Å; K1421-E1425 PolarHBondContact O-N 3.27Å
1422V71.1Confident67.2Low13 Ų1355.1 Ų55.18%0.07929%0.289CS..Hα-helixtrans-58.3-43.4178.9171.10000111.4N1418 F1419 I1424 E1425 L1426 L1436 Y1452N1418-V1422 WeakPolarHBondContact O-CG2 3.34Å; N1418-V1422 PolarHBondContact O-N 2.98Å; F1419-V1422 PolarHBondContact O-N 3.04Å; V1422-I1424 VanDerWaalsContact C-N 3.27Å; V1422-I1424 PolarHBondContact O-N 3.37Å; V1422-E1425 PolarHBondContact O-N 3.01Å; V1422-L1426 HydrophobicContact CG1-CD1 3.71Å; V1422-L1426 HydrophobicContact CG1-CG 4.33Å; V1422-L1426 WeakPolarHBondContact O-CB 2.97Å; V1422-L1426 WeakPolarHBondContact O-CG 3.4Å; V1422-L1426 PolarHBondContact O-N 3.26Å; V1422-L1436 HydrophobicContact CG1-CD1 4.26Å; V1422-Y1452 HydrophobicContact CG2-CD1 3.95Å; V1422-Y1452 HydrophobicContact CG2-CD2 4.39Å; V1422-Y1452 HydrophobicContact CG2-CE1 3.63Å; V1422-Y1452 HydrophobicContact CG2-CE2 4.09Å; V1422-Y1452 HydrophobicContact CG2-CG 4.32Å
1423L70.8Confident65.6Low8 Ų855.3 Ų55.34%0.04229%0.29CS..Hα-helixtrans-66-25.4177-69-179.8000114.2V1397 F1419 K1421 K1428 F1432V1397-L1423 HydrophobicContact CB-CD1 3.58Å; V1397-L1423 HydrophobicContact CG1-CB 4.28Å; V1397-L1423 HydrophobicContact CG1-CD1 3.58Å; V1397-L1423 HydrophobicContact CG2-CD1 3.92Å; F1419-L1423 HydrophobicContact CD1-CD1 3.85Å; F1419-L1423 HydrophobicContact CE1-CD1 3.38Å; F1419-L1423 HydrophobicContact CE1-CG 4.25Å; F1419-L1423 HydrophobicContact CE2-CD1 4.28Å; F1419-L1423 HydrophobicContact CE2-CD2 4.46Å; F1419-L1423 HydrophobicContact CE2-CG 4.33Å; F1419-L1423 HydrophobicContact CG-CD1 4.49Å; F1419-L1423 HydrophobicContact CZ-CD1 3.63Å; F1419-L1423 HydrophobicContact CZ-CD2 4.31Å; F1419-L1423 HydrophobicContact CZ-CG 4.14Å; F1419-L1423 WeakPolarHBondContact O-CG 3.42Å; F1419-L1423 PolarHBondContact O-N 3.33Å; K1421-L1423 VanDerWaalsContact C-N 3.32Å; K1421-L1423 PolarHBondContact O-N 2.99Å; L1423-K1428 PolarHBondContact O-N 3.21Å; L1423-F1432 HydrophobicContact CD2-CD1 4.18Å; L1423-F1432 HydrophobicContact CD2-CD2 4.19Å; L1423-F1432 HydrophobicContact CD2-CE1 3.53Å; L1423-F1432 HydrophobicContact CD2-CE2 3.54Å; L1423-F1432 HydrophobicContact CD2-CG 4.49Å; L1423-F1432 HydrophobicContact CD2-CZ 3.18Å
1424I71.4Confident63.7Low85 Ų8555.5 Ų55.544%0.43630%0.297SS..Hα-helixtrans-79.1-42173.3-70166.1000110.5V1420 K1421 V1422 N1427V1420-I1424 HydrophobicContact CG1-CD1 3.86Å; V1420-I1424 WeakPolarHBondContact O-CD1 3.41Å; V1420-I1424 VanDerWaalsContact O-CG1 3.28Å; V1420-I1424 WeakPolarHBondContact O-CG1 3.29Å; V1420-I1424 PolarHBondContact O-N 3.42Å; V1420-I1424 VanDerWaalsContact O-N 3.15Å; K1421-I1424 PolarHBondContact O-N 2.94Å; V1422-I1424 VanDerWaalsContact C-N 3.27Å; V1422-I1424 PolarHBondContact O-N 3.37Å; I1424-N1427 PolarHBondContact O-N 3.04Å
1425E67.2Low61.8Low125 Ų12557.9 Ų57.958%0.58431%0.305SS*.Hα-helixtrans-68.4-33.2178.7-70.6176.9157.400112.1K1421 V1422 N1427K1421-E1425 WeakPolarHBondContact CE-OE1 3.27Å; K1421-E1425 VanDerWaalsContact CE-OE2 3.29Å; K1421-E1425 WeakPolarHBondContact CE-OE2 3.38Å; K1421-E1425 HydrophobicContact CG-CG 4.48Å; K1421-E1425 IonicContact NZ-OE1 3.47Å; K1421-E1425 PolarHBondContact O-N 3.27Å; V1422-E1425 PolarHBondContact O-N 3.01Å; E1425-N1427 PolarHBondContact O-N 3.4Å
1426L64.4Low59.9Low56 Ų5658.3 Ų58.329%0.29330%0.304SS..THydrogen-bonded Turntrans-8115.2171.5-64.7174.6000114.2V1422 K1428 V1430 F1432 L1436V1422-L1426 HydrophobicContact CG1-CD1 3.71Å; V1422-L1426 HydrophobicContact CG1-CG 4.33Å; V1422-L1426 WeakPolarHBondContact O-CB 2.97Å; V1422-L1426 WeakPolarHBondContact O-CG 3.4Å; V1422-L1426 PolarHBondContact O-N 3.26Å; L1426-K1428 VanDerWaalsContact C-N 3.31Å; L1426-K1428 PolarHBondContact O-N 3.4Å; L1426-K1428 VanDerWaalsContact O-N 3.13Å; L1426-V1430 WeakPolarHBondContact O-CG2 3.34Å; L1426-F1432 HydrophobicContact CD1-CE1 3.94Å; L1426-L1436 HydrophobicContact CD1-CD1 3.51Å; L1426-L1436 HydrophobicContact CD1-CG 4.43Å
1427N56Low57.6Low135 Ų13563 Ų6372%0.72232%0.324SS*.THydrogen-bonded Turntrans57.532.4165.3-143.222.4000116.1I1424 E1425 D1429I1424-N1427 PolarHBondContact O-N 3.04Å; E1425-N1427 PolarHBondContact O-N 3.4Å; N1427-D1429 VanDerWaalsContact C-N 3.29Å; N1427-D1429 PolarHBondContact O-N 3.43Å
1428K52.3Low55.4Low111 Ų11166.5 Ų66.548%0.48333%0.333SS..SBendtrans63.5-17.2163.5-61-174.1177.8-1760121.1K1398 L1423 L1426K1398-K1428 PolarHBondContact NZ-O 3.12Å; L1423-K1428 PolarHBondContact O-N 3.21Å; L1426-K1428 VanDerWaalsContact C-N 3.31Å; L1426-K1428 PolarHBondContact O-N 3.4Å; L1426-K1428 VanDerWaalsContact O-N 3.13Å
1429D48.5Very low53.3Low124 Ų12468.9 Ų68.966%0.66335%0.345SS*.  trans-114.711-172.2-70.5-45.1000114.9K1398 N1427K1398-D1429 IonicContact NZ-OD1 3.77Å; K1398-D1429 PolarHBondContact NZ-OD1 2.8Å; N1427-D1429 VanDerWaalsContact C-N 3.29Å; N1427-D1429 PolarHBondContact O-N 3.43Å
1430V45.4Very low50.8Low43 Ų4370 Ų7026%0.26136%0.36SS..  trans-74.5143.5174.3-178.80000111.7L1426 F1432 E1435L1426-V1430 WeakPolarHBondContact O-CG2 3.34Å; V1430-F1432 HydrophobicContact CB-CE1 4.3Å; V1430-F1432 HydrophobicContact CB-CZ 4.09Å; V1430-F1432 HydrophobicContact CG1-CE1 4.47Å; V1430-F1432 VanDerWaalsContact O-CD2 3.26Å; V1430-F1432 WeakPolarHBondContact O-CD2 3.45Å; V1430-F1432 VanDerWaalsContact O-CE2 3.23Å; V1430-F1432 WeakPolarHBondContact O-CE2 3.49Å; V1430-F1432 PolarHBondContact O-N 3.34Å; V1430-E1435 HydrophobicContact CG1-CB 3.8Å
1431N46.9Very low48.2Very low30 Ų3074.8 Ų74.816%0.1639%0.385CS..  trans-87.398.8177-164.40000110.1N1433 T1434 Y1500N1431-N1433 PolarHBondContact O-N 2.58Å; N1431-T1434 PolarHBondContact O-N 3.31Å; N1431-T1434 PolarHBondContact O-OG1 3.16Å; N1431-Y1500 PolarHBondContact ND2-OH 3.02Å
1432F49.1Very low46Very low17 Ų1776.6 Ų76.68%0.07540%0.403CS..THydrogen-bonded Turntrans-67.6-4.7-163.1-73.2-70.8000116.9M1390 L1423 L1426 V1430 T1434 L1436M1390-F1432 HydrophobicContact CE-CB 4.21Å; L1423-F1432 HydrophobicContact CD2-CD1 4.18Å; L1423-F1432 HydrophobicContact CD2-CD2 4.19Å; L1423-F1432 HydrophobicContact CD2-CE1 3.53Å; L1423-F1432 HydrophobicContact CD2-CE2 3.54Å; L1423-F1432 HydrophobicContact CD2-CG 4.49Å; L1423-F1432 HydrophobicContact CD2-CZ 3.18Å; L1426-F1432 HydrophobicContact CD1-CE1 3.94Å; V1430-F1432 HydrophobicContact CB-CE1 4.3Å; V1430-F1432 HydrophobicContact CB-CZ 4.09Å; V1430-F1432 HydrophobicContact CG1-CE1 4.47Å; V1430-F1432 VanDerWaalsContact O-CD2 3.26Å; V1430-F1432 WeakPolarHBondContact O-CD2 3.45Å; V1430-F1432 VanDerWaalsContact O-CE2 3.23Å; V1430-F1432 WeakPolarHBondContact O-CE2 3.49Å; V1430-F1432 PolarHBondContact O-N 3.34Å; F1432-T1434 VanDerWaalsContact C-N 3.29Å; F1432-T1434 PolarHBondContact O-N 2.68Å; F1432-L1436 HydrophobicContact CD1-CD1 3.7Å; F1432-L1436 HydrophobicContact CE1-CD1 3.8Å
1433N44.1Very low44.1Very low7 Ų782.2 Ų82.24%0.03743%0.433CS..THydrogen-bonded Turntrans-86.19.3174.6-61.3-59.3000114.2A1385 N1391 N1431 Y1500 D1501 K1502A1385-N1433 PolarHBondContact O-ND2 3.01Å; N1391-N1433 PolarHBondContact ND2-ND2 2.95Å; N1391-N1433 PolarHBondContact OD1-ND2 3.24Å; N1431-N1433 PolarHBondContact O-N 2.58Å; N1433-Y1500 HydrophobicContact CB-CD1 3.49Å; N1433-Y1500 VanDerWaalsContact CB-CD1 3.49Å; N1433-Y1500 HydrophobicContact CB-CE1 4.01Å; N1433-Y1500 HydrophobicContact CB-CG 4.38Å; N1433-D1501 PolarHBondContact O-N 2.83Å; N1433-K1502 VanDerWaalsContact CG-CE 3.49Å; N1433-K1502 WeakPolarHBondContact OD1-CE 3.45Å
1434T37.3Very low42.2Very low55 Ų5585.7 Ų85.734%0.33745%0.451SS..THydrogen-bonded Turntrans-136.6-39.3173.28.70000113.8N1431 F1432 C1499N1431-T1434 PolarHBondContact O-N 3.31Å; N1431-T1434 PolarHBondContact O-OG1 3.16Å; F1432-T1434 VanDerWaalsContact C-N 3.29Å; F1432-T1434 PolarHBondContact O-N 2.68Å; T1434-C1499 HydrophobicContact CG2-CB 4.06Å; T1434-C1499 VanDerWaalsContact CG2-O 3.26Å; T1434-C1499 WeakPolarHBondContact CG2-O 3.42Å; T1434-C1499 PolarHBondContact OG1-O 3.47Å
1435E31.7Very low40.2Very low132 Ų13287.9 Ų87.962%0.61747%0.471SS*.  trans-118.863-166-62.3-170.9152.100113.7V1430V1430-E1435 HydrophobicContact CG1-CB 3.8Å
1436L35.2Very low38.5Very low31 Ų3190.1 Ų90.116%0.16248%0.482CS..  trans-115.631.4154.6-141.9104.3000112.8M1390 V1422 L1426 F1432 Y1452M1390-L1436 HydrophobicContact CE-CB 4.48Å; V1422-L1436 HydrophobicContact CG1-CD1 4.26Å; L1426-L1436 HydrophobicContact CD1-CD1 3.51Å; L1426-L1436 HydrophobicContact CD1-CG 4.43Å; F1432-L1436 HydrophobicContact CD1-CD1 3.7Å; F1432-L1436 HydrophobicContact CE1-CD1 3.8Å; L1436-Y1452 HydrophobicContact CD2-CD2 4.28Å; L1436-Y1452 HydrophobicContact CD2-CG 4.48Å
1437F33.9Very low36.8Very low111 Ų11191.4 Ų91.449%0.48749%0.488SS..  trans-100.1105.4163.7-73.8-118.9000106.2L1439 V1449F1437-L1439 VanDerWaalsContact C-N 3.33Å; F1437-L1439 PolarHBondContact O-N 3.16Å; F1437-V1449 HydrophobicContact CB-CG1 4.19Å; F1437-V1449 HydrophobicContact CD1-CB 4.13Å; F1437-V1449 HydrophobicContact CD1-CG1 3.55Å; F1437-V1449 HydrophobicContact CD1-CG2 3.6Å; F1437-V1449 HydrophobicContact CE1-CB 4.25Å; F1437-V1449 HydrophobicContact CE1-CG1 3.97Å; F1437-V1449 HydrophobicContact CE1-CG2 3.83Å; F1437-V1449 HydrophobicContact CG-CG1 3.84Å
1438I30.8Very low35.7Very low107 Ų10789.7 Ų89.755%0.54948%0.479SS..  trans-65.2104.7160.7-63178.5000105.1G1440I1438-G1440 VanDerWaalsContact C-N 3.3Å; I1438-G1440 PolarHBondContact O-N 3.35Å
1439L29.1Very low34.8Very low146 Ų14686.5 Ų86.576%0.76447%0.468SS*.  trans-65.892.6178.5-77.2168.7000109.1F1437F1437-L1439 VanDerWaalsContact C-N 3.33Å; F1437-L1439 PolarHBondContact O-N 3.16Å
1440G25.7Very low34.1Very low33 Ų3381.9 Ų81.934%0.3444%0.443SS..  trans-51.3140.4153.200000108.7I1438 V1442I1438-G1440 VanDerWaalsContact C-N 3.3Å; I1438-G1440 PolarHBondContact O-N 3.35Å; G1440-V1442 PolarHBondContact O-N 3.4Å
1441D26.2Very low34Very low111 Ų11182.8 Ų82.859%0.59444%0.444SS*.  trans-45.2126.6-171.3-165.7-33.8000111.6N1443 N1444D1441-N1443 PolarHBondContact O-N 2.87Å; D1441-N1443 PolarHBondContact OD1-ND2 3.48Å; D1441-N1444 PolarHBondContact O-N 3.03Å
1442V28.7Very low34.2Very low129 Ų12986.4 Ų86.478%0.78246%0.456SS*.THydrogen-bonded Turntrans-55.1-15.4-169.1-178.70000112.9G1440G1440-V1442 PolarHBondContact O-N 3.4Å
1443N30.7Very low34.6Very low131 Ų13191.6 Ų91.670%0.70148%0.481SS*.THydrogen-bonded Turntrans-84-0.9-179.6-60.7-76.3000115.4D1441D1441-N1443 PolarHBondContact O-N 2.87Å; D1441-N1443 PolarHBondContact OD1-ND2 3.48Å
1444N30.7Very low35.8Very low81 Ų8192.6 Ų92.643%0.43349%0.487SS..  trans-130.597-177.3-166.32.4000114.7D1441 E1446 I1447D1441-N1444 PolarHBondContact O-N 3.03Å; N1444-E1446 PolarHBondContact O-N 2.99Å; N1444-E1446 VanDerWaalsContact O-N 3.16Å; N1444-I1447 HydrophobicContact CB-CD1 4.02Å; N1444-I1447 HydrophobicContact CB-CG1 4.21Å; N1444-I1447 PolarHBondContact O-N 3.43Å
1445P30.1Very low38Very low131 Ų13190.2 Ų90.285%0.85147%0.473SS*.THydrogen-bonded Turntrans-75.61.8-173.332.2-37.1000115.6
1446E31.9Very low40.5Very low172 Ų17291.5 Ų91.580%0.80448%0.476SS*.THydrogen-bonded Turntrans-94.1-2.4174.2-64.3-165.9148.800113.8N1444 D1448N1444-E1446 PolarHBondContact O-N 2.99Å; N1444-E1446 VanDerWaalsContact O-N 3.16Å; E1446-D1448 PolarHBondContact O-N 3.29Å
1447I29.2Very low43.1Very low82 Ų8290.3 Ų90.342%0.42147%0.47SS..  trans-85.591.1178.2-55.2-178.2000109.7N1444N1444-I1447 HydrophobicContact CB-CD1 4.02Å; N1444-I1447 HydrophobicContact CB-CG1 4.21Å; N1444-I1447 PolarHBondContact O-N 3.43Å
1448D32.4Very low45.8Very low100 Ų10085 Ų8554%0.53545%0.447SS..  trans-65.1150.9174.4-123.3-27.9000112E377 E1446E377-D1448 HydrophobicContact CG-CB 4.42Å; E1446-D1448 PolarHBondContact O-N 3.29Å
1449V32.8Very low48.6Very low44 Ų4479.9 Ų79.927%0.26742%0.421SS..  trans-90.5138-163.6-179.40000112.8F1437 E1451F1437-V1449 HydrophobicContact CB-CG1 4.19Å; F1437-V1449 HydrophobicContact CD1-CB 4.13Å; F1437-V1449 HydrophobicContact CD1-CG1 3.55Å; F1437-V1449 HydrophobicContact CD1-CG2 3.6Å; F1437-V1449 HydrophobicContact CE1-CB 4.25Å; F1437-V1449 HydrophobicContact CE1-CG1 3.97Å; F1437-V1449 HydrophobicContact CE1-CG2 3.83Å; F1437-V1449 HydrophobicContact CG-CG1 3.84Å; V1449-E1451 VanDerWaalsContact C-N 3.28Å; V1449-E1451 PolarHBondContact O-N 2.96Å
1450E34.8Very low51.7Low26 Ų2673.6 Ų73.612%0.12139%0.388CS..  trans-72.371.6175.6-54.8-167.1103.800112.3T372 G373 A376 Y1452T372-E1450 VanDerWaalsContact C-OE1 3.23Å; T372-E1450 WeakPolarHBondContact CB-OE2 3.34Å; T372-E1450 PolarHBondContact OG1-OE2 3.47Å; G373-E1450 PolarHBondContact N-OE1 2.87Å; A376-E1450 HydrophobicContact CB-CB 4.35Å; A376-E1450 HydrophobicContact CB-CG 3.83Å; A376-E1450 VanDerWaalsContact CB-OE1 3.24Å; A376-E1450 WeakPolarHBondContact CB-OE1 3.48Å; E1450-Y1452 HydrophobicContact CB-CE2 4.44Å; E1450-Y1452 PolarHBondContact O-N 2.89Å
1451E43.7Very low55Low63 Ų6372 Ų7229%0.29437%0.371SS..  trans-6499.7169.7-71.9-175.5149.600110.4R380 V1449 K1524R380-E1451 IonicContact CZ-OE2 3.93Å; R380-E1451 IonicContact NH1-OE2 3.84Å; R380-E1451 PolarHBondContact NH1-OE2 3.31Å; R380-E1451 IonicContact NH2-OE2 3.76Å; R380-E1451 PolarHBondContact NH2-OE2 3.29Å; V1449-E1451 VanDerWaalsContact C-N 3.28Å; V1449-E1451 PolarHBondContact O-N 2.96Å; E1451-K1524 WeakPolarHBondContact OE1-CE 3.32Å; E1451-K1524 IonicContact OE1-NZ 3.87Å; E1451-K1524 PolarHBondContact OE1-NZ 2.95Å
1452Y51.1Low58.3Low106 Ų10666.7 Ų66.742%0.41634%0.343SS..PPolyproline II helixtrans-73.5124.8169-83.8-94000110.8V1422 L1436 E1450 V1454V1422-Y1452 HydrophobicContact CG2-CD1 3.95Å; V1422-Y1452 HydrophobicContact CG2-CD2 4.39Å; V1422-Y1452 HydrophobicContact CG2-CE1 3.63Å; V1422-Y1452 HydrophobicContact CG2-CE2 4.09Å; V1422-Y1452 HydrophobicContact CG2-CG 4.32Å; L1436-Y1452 HydrophobicContact CD2-CD2 4.28Å; L1436-Y1452 HydrophobicContact CD2-CG 4.48Å; E1450-Y1452 HydrophobicContact CB-CE2 4.44Å; E1450-Y1452 PolarHBondContact O-N 2.89Å; Y1452-V1454 PolarHBondContact O-N 2.87Å
1453E56Low61.5Low126 Ų12661.4 Ų61.459%0.58931%0.31SS*.PPolyproline II helixtrans-71.4126.6174.4-165.9-173.3171.500110.9R531R531-E1453 IonicContact CZ-OE2 2.91Å; R531-E1453 IonicContact NH1-OE1 3.22Å; R531-E1453 PolarHBondContact NH1-OE1 3.47Å; R531-E1453 IonicContact NH1-OE2 2.73Å; R531-E1453 PolarHBondContact NH1-OE2 3.12Å; R531-E1453 IonicContact NH2-OE2 2.69Å
1454V70.7Confident64.7Low28 Ų2855.2 Ų55.217%0.1728%0.277CS..PPolyproline II helixtrans-81.6126.6178.2-175.90000109.6M1390 A1393 F1419 Y1452 K1456M1390-V1454 HydrophobicContact CB-CG2 4.4Å; M1390-V1454 HydrophobicContact CE-CG2 4.26Å; M1390-V1454 HydrophobicContact CG-CG2 3.98Å; M1390-V1454 HydrophobicContact SD-CG2 4.44Å; A1393-V1454 HydrophobicContact CB-CG1 3.68Å; F1419-V1454 HydrophobicContact CE1-CG1 4.25Å; F1419-V1454 HydrophobicContact CE2-CB 4.4Å; F1419-V1454 HydrophobicContact CE2-CG1 4.02Å; F1419-V1454 HydrophobicContact CE2-CG2 3.9Å; F1419-V1454 HydrophobicContact CZ-CG1 3.83Å; F1419-V1454 HydrophobicContact CZ-CG2 4.4Å; Y1452-V1454 PolarHBondContact O-N 2.87Å; V1454-K1456 PolarHBondContact O-N 2.81Å
1455P82.1Confident67.8Low5 Ų551.3 Ų51.33%0.03226%0.256CS..  trans-69.2104.7176.2-14.928.8000110.6L1412 A1415 V1416 F1419 V1457 L1458L1412-P1455 HydrophobicContact CD1-CB 4.45Å; A1415-P1455 HydrophobicContact CB-CB 4.47Å; A1415-P1455 HydrophobicContact CB-CG 4.02Å; V1416-P1455 HydrophobicContact CG2-CB 3.94Å; V1416-P1455 HydrophobicContact CG2-CG 4.15Å; F1419-P1455 HydrophobicContact CB-CG 4.07Å; P1455-V1457 HydrophobicContact CB-CG1 4.41Å; P1455-V1457 PolarHBondContact O-N 3.37Å; P1455-V1457 VanDerWaalsContact O-N 3.08Å; P1455-L1458 HydrophobicContact CB-CD1 4.27Å; P1455-L1458 HydrophobicContact CB-CG 4.45Å; P1455-L1458 HydrophobicContact CG-CD1 4.18Å; P1455-L1458 PolarHBondContact O-N 3.45Å
1456K84.7Confident71Confident159 Ų15945.1 Ų45.169%0.69122%0.215SC*.THydrogen-bonded Turntrans-42.7-48.1-176.1-73.5-168.1176.9-172.50113N1389 V1454 L1458 G1459 D1460N1389-K1456 PolarHBondContact ND2-O 2.88Å; N1389-K1456 VanDerWaalsContact ND2-O 3.09Å; N1389-K1456 WeakPolarHBondContact OD1-CA 3.38Å; N1389-K1456 PolarHBondContact OD1-O 3.19Å; V1454-K1456 PolarHBondContact O-N 2.81Å; K1456-L1458 PolarHBondContact O-N 3.47Å; K1456-G1459 WeakPolarHBondContact O-CA 3.44Å; K1456-G1459 PolarHBondContact O-N 2.93Å; K1456-D1460 VanDerWaalsContact C-CG 3.43Å; K1456-D1460 VanDerWaalsContact O-CG 3.28Å; K1456-D1460 PolarHBondContact O-N 3.24Å; K1456-D1460 VanDerWaalsContact O-N 3.12Å
1457V89.5Confident74Confident5 Ų536.9 Ų36.93%0.0318%0.177CC..Hα-helixtrans-42.9-27.5177.878.20000115.8Y1348 L1405 L1412 V1416 P1455 D1460 I1461Y1348-V1457 HydrophobicContact CE1-CG2 4.27Å; L1405-V1457 HydrophobicContact CD1-CG2 3.9Å; L1405-V1457 HydrophobicContact CD2-CG1 3.96Å; L1405-V1457 HydrophobicContact CD2-CG2 4.32Å; L1412-V1457 HydrophobicContact CD1-CG1 3.76Å; L1412-V1457 HydrophobicContact CD2-CG1 4.38Å; L1412-V1457 HydrophobicContact CG-CG1 4.43Å; V1416-V1457 HydrophobicContact CG2-CG1 4.23Å; P1455-V1457 HydrophobicContact CB-CG1 4.41Å; P1455-V1457 PolarHBondContact O-N 3.37Å; P1455-V1457 VanDerWaalsContact O-N 3.08Å; V1457-D1460 WeakPolarHBondContact CA-OD2 3.48Å; V1457-D1460 PolarHBondContact N-OD2 3.1Å; V1457-I1461 HydrophobicContact CG2-CG2 4.12Å; V1457-I1461 WeakPolarHBondContact O-CG1 3.43Å; V1457-I1461 VanDerWaalsContact O-CG2 3.32Å; V1457-I1461 WeakPolarHBondContact O-CG2 3.26Å; V1457-I1461 PolarHBondContact O-N 3.22Å
1458L90.8Very high77.1Confident0 Ų033 Ų330%016%0.157CC..Hα-helixtrans-76.4-30178.8-65.1175.3000113.4A1393 A1396 V1397 H1402 V1416 F1419 P1455 K1456 I1461A1393-L1458 HydrophobicContact CB-CB 3.57Å; A1396-L1458 WeakPolarHBondContact CB-O 3.3Å; V1397-L1458 HydrophobicContact CG2-CD1 3.98Å; H1402-L1458 HydrophobicContact CB-CD2 3.83Å; V1416-L1458 HydrophobicContact CG1-CD1 4.29Å; V1416-L1458 HydrophobicContact CG1-CD2 4.1Å; V1416-L1458 HydrophobicContact CG2-CD1 4.15Å; V1416-L1458 HydrophobicContact CG2-CD2 4.17Å; V1416-L1458 HydrophobicContact CG2-CG 4.14Å; F1419-L1458 HydrophobicContact CD1-CD1 3.51Å; F1419-L1458 HydrophobicContact CE1-CD1 3.96Å; P1455-L1458 HydrophobicContact CB-CD1 4.27Å; P1455-L1458 HydrophobicContact CB-CG 4.45Å; P1455-L1458 HydrophobicContact CG-CD1 4.18Å; P1455-L1458 PolarHBondContact O-N 3.45Å; K1456-L1458 PolarHBondContact O-N 3.47Å; L1458-I1461 HydrophobicContact CD2-CD1 4.36Å
1459G90.3Very high80.2Confident0 Ų028.2 Ų28.20%013%0.132CC..Hα-helixtrans-76.4-46.716500000111K1456 I1461 F1462 E1463K1456-G1459 WeakPolarHBondContact O-CA 3.44Å; K1456-G1459 PolarHBondContact O-N 2.93Å; G1459-I1461 VanDerWaalsContact C-N 3.29Å; G1459-I1461 PolarHBondContact O-N 3.02Å; G1459-F1462 WeakPolarHBondContact O-CA 3.25Å; G1459-F1462 WeakPolarHBondContact O-CB 3.21Å; G1459-F1462 PolarHBondContact O-N 2.84Å; G1459-E1463 PolarHBondContact O-N 2.73Å; G1459-E1463 VanDerWaalsContact O-N 3.1Å
1460D94Very high83.1Confident13 Ų1326.5 Ų26.57%0.0712%0.12CC..Hα-helixtrans-60-36.8-175.6-31.5-18.2000112.5Y1348 E1352 N1389 K1456 V1457 F1462 E1463 S1464Y1348-D1460 HydrophobicContact CD2-CB 3.96Å; Y1348-D1460 HydrophobicContact CE2-CB 3.27Å; Y1348-D1460 PolarHBondContact OH-OD2 2.87Å; E1352-D1460 HydrophobicContact CG-CB 4.05Å; N1389-D1460 PolarHBondContact ND2-OD1 2.97Å; K1456-D1460 VanDerWaalsContact C-CG 3.43Å; K1456-D1460 VanDerWaalsContact O-CG 3.28Å; K1456-D1460 PolarHBondContact O-N 3.24Å; K1456-D1460 VanDerWaalsContact O-N 3.12Å; V1457-D1460 WeakPolarHBondContact CA-OD2 3.48Å; V1457-D1460 PolarHBondContact N-OD2 3.1Å; D1460-F1462 VanDerWaalsContact C-N 3.33Å; D1460-E1463 WeakPolarHBondContact CA-OE2 3.39Å; D1460-S1464 WeakPolarHBondContact O-CB 3.5Å; D1460-S1464 PolarHBondContact O-N 3.4Å
1461I95Very high85.8Confident0 Ų025.9 Ų25.90%012%0.118CC..Hα-helixtrans-77.7-13.6174.271.3-171.9000114.4Y1348 Y1401 L1405 V1457 L1458 G1459 S1464 V1465Y1348-I1461 HydrophobicContact CG-CG2 4.3Å; Y1401-I1461 HydrophobicContact CD1-CG1 4.33Å; L1405-I1461 HydrophobicContact CB-CD1 4.11Å; L1405-I1461 HydrophobicContact CD1-CD1 4.16Å; L1405-I1461 HydrophobicContact CD1-CG2 4.15Å; L1405-I1461 HydrophobicContact CG-CD1 4.48Å; V1457-I1461 HydrophobicContact CG2-CG2 4.12Å; V1457-I1461 WeakPolarHBondContact O-CG1 3.43Å; V1457-I1461 VanDerWaalsContact O-CG2 3.32Å; V1457-I1461 WeakPolarHBondContact O-CG2 3.26Å; V1457-I1461 PolarHBondContact O-N 3.22Å; L1458-I1461 HydrophobicContact CD2-CD1 4.36Å; G1459-I1461 VanDerWaalsContact C-N 3.29Å; G1459-I1461 PolarHBondContact O-N 3.02Å; I1461-S1464 VanDerWaalsContact CA-OG 3.32Å; I1461-S1464 WeakPolarHBondContact CA-OG 3.42Å; I1461-S1464 PolarHBondContact O-OG 3.39Å; I1461-V1465 VanDerWaalsContact O-CG2 3.24Å; I1461-V1465 WeakPolarHBondContact O-CG2 3.41Å; I1461-V1465 PolarHBondContact O-N 2.94Å
1462F95.6Very high88.2Confident0 Ų023.1 Ų23.10%011%0.105CC..Hα-helixtrans-77.4-42.1171.2-173.4-102.6000109.9L1359 F1392 I1395 A1396 Y1401 G1459 D1460 A1466 Y1484 M1488L1359-F1462 HydrophobicContact CD1-CD1 4.1Å; L1359-F1462 HydrophobicContact CD1-CE1 4.17Å; F1392-F1462 HydrophobicContact CB-CB 4.05Å; F1392-F1462 HydrophobicContact CB-CD1 3.66Å; F1392-F1462 HydrophobicContact CB-CE1 4.44Å; F1392-F1462 HydrophobicContact CB-CG 4.08Å; F1392-F1462 AromaticContact CD1-CD1 3.46Å; F1392-F1462 HydrophobicContact CD1-CD1 3.46Å; F1392-F1462 VanDerWaalsContact CD1-CD1 3.46Å; F1392-F1462 AromaticContact CD1-CE1 3.47Å; F1392-F1462 HydrophobicContact CD1-CE1 3.47Å; F1392-F1462 VanDerWaalsContact CD1-CE1 3.47Å; F1392-F1462 HydrophobicContact CD2-CD1 4.47Å; F1392-F1462 HydrophobicContact CE1-CD1 4.18Å; F1392-F1462 AromaticContact CE1-CE1 3.95Å; F1392-F1462 HydrophobicContact CE1-CE1 3.95Å; F1392-F1462 AromaticContact CG-CD1 3.63Å; F1392-F1462 HydrophobicContact CG-CD1 3.63Å; F1392-F1462 HydrophobicContact CG-CE1 4.15Å; I1395-F1462 HydrophobicContact CB-CE2 4.28Å; I1395-F1462 HydrophobicContact CB-CZ 4.37Å; I1395-F1462 HydrophobicContact CG2-CD2 4.32Å; I1395-F1462 HydrophobicContact CG2-CE2 3.48Å; I1395-F1462 VanDerWaalsContact CG2-CE2 3.48Å; I1395-F1462 HydrophobicContact CG2-CZ 3.64Å; A1396-F1462 HydrophobicContact CB-CB 4.3Å; A1396-F1462 HydrophobicContact CB-CD2 4.3Å; Y1401-F1462 HydrophobicContact CD1-CD2 4.43Å; Y1401-F1462 HydrophobicContact CE1-CB 4.45Å; Y1401-F1462 AromaticContact CE1-CD2 3.76Å; Y1401-F1462 HydrophobicContact CE1-CD2 3.76Å; Y1401-F1462 HydrophobicContact CE2-CD2 4.18Å; Y1401-F1462 HydrophobicContact CE2-CE2 4.41Å; Y1401-F1462 AromaticContact CZ-CD2 3.62Å; Y1401-F1462 AromaticContact CZ-CE2 3.98Å; G1459-F1462 WeakPolarHBondContact O-CA 3.25Å; G1459-F1462 WeakPolarHBondContact O-CB 3.21Å; G1459-F1462 PolarHBondContact O-N 2.84Å; D1460-F1462 VanDerWaalsContact C-N 3.33Å; F1462-A1466 PolarHBondContact O-N 3.22Å; F1462-Y1484 HydrophobicContact CD1-CD1 4.4Å; F1462-Y1484 AromaticContact CD1-CE1 3.8Å; F1462-Y1484 HydrophobicContact CD1-CE1 3.8Å; F1462-Y1484 AromaticContact CD2-CE1 3.98Å; F1462-Y1484 HydrophobicContact CD2-CE1 3.98Å; F1462-Y1484 AromaticContact CE1-CD1 3.61Å; F1462-Y1484 HydrophobicContact CE1-CD1 3.61Å; F1462-Y1484 AromaticContact CE1-CE1 3.44Å; F1462-Y1484 HydrophobicContact CE1-CE1 3.44Å; F1462-Y1484 VanDerWaalsContact CE1-CE1 3.44Å; F1462-Y1484 HydrophobicContact CE2-CD1 4.07Å; F1462-Y1484 AromaticContact CE2-CE1 3.6Å; F1462-Y1484 HydrophobicContact CE2-CE1 3.6Å; F1462-Y1484 HydrophobicContact CG-CE1 4.06Å; F1462-Y1484 AromaticContact CZ-CD1 3.41Å; F1462-Y1484 HydrophobicContact CZ-CD1 3.41Å; F1462-Y1484 VanDerWaalsContact CZ-CD1 3.41Å; F1462-Y1484 AromaticContact CZ-CE1 3.33Å; F1462-Y1484 HydrophobicContact CZ-CE1 3.33Å; F1462-Y1484 WeakPolarHBondContact O-CE1 3.34Å; F1462-Y1484 PolarHBondContact O-OH 2.85Å; F1462-M1488 HydrophobicContact CE1-SD 4.23Å; F1462-M1488 HydrophobicContact CZ-CG 4.22Å; F1462-M1488 HydrophobicContact CZ-SD 4.34Å
1463E96.3Very high90.1Very high18 Ų1819 Ų198%0.0849%0.092CC..Hα-helixtrans-65.9-48171.7-7014917100111G1355 L1359 F1392 G1459 D1460 V1465 A1466 G1467G1355-E1463 WeakPolarHBondContact CA-O 3.3Å; L1359-E1463 HydrophobicContact CD1-CG 3.99Å; F1392-E1463 HydrophobicContact CD2-CG 4.11Å; F1392-E1463 WeakPolarHBondContact CD2-OE1 3.35Å; F1392-E1463 HydrophobicContact CE2-CG 4.16Å; F1392-E1463 WeakPolarHBondContact CE2-OE1 3.47Å; G1459-E1463 PolarHBondContact O-N 2.73Å; G1459-E1463 VanDerWaalsContact O-N 3.1Å; D1460-E1463 WeakPolarHBondContact CA-OE2 3.39Å; E1463-V1465 VanDerWaalsContact C-N 3.3Å; E1463-V1465 PolarHBondContact O-N 3.29Å; E1463-A1466 WeakPolarHBondContact O-CA 3.47Å; E1463-A1466 WeakPolarHBondContact O-CB 3.43Å; E1463-A1466 PolarHBondContact O-N 3.25Å; E1463-G1467 PolarHBondContact O-N 2.65Å
1464S96.4Very high91.6Very high0 Ų016 Ų160%09%0.094CC..Hα-helixtrans-60.4-35.5-178.480.60000113.7A1333 D1460 I1461 G1467 A1468A1333-S1464 WeakPolarHBondContact CA-OG 3.21Å; A1333-S1464 WeakPolarHBondContact CB-OG 3.37Å; A1333-S1464 PolarHBondContact O-OG 3.45Å; D1460-S1464 WeakPolarHBondContact O-CB 3.5Å; D1460-S1464 PolarHBondContact O-N 3.4Å; I1461-S1464 VanDerWaalsContact CA-OG 3.32Å; I1461-S1464 WeakPolarHBondContact CA-OG 3.42Å; I1461-S1464 PolarHBondContact O-OG 3.39Å; S1464-G1467 PolarHBondContact O-N 3.39Å; S1464-A1468 PolarHBondContact O-N 3.2Å
1465V97Very high92.4Very high0 Ų016.2 Ų16.20%010%0.097CC..Hα-helixtrans-72-32.4175.9171.20000111.3F1316 L1320 L1330 A1333 L1334 Y1401 I1461 E1463 A1468 I1469 Y1484F1316-V1465 HydrophobicContact CE1-CG1 4.45Å; F1316-V1465 HydrophobicContact CE1-CG2 4.35Å; L1320-V1465 HydrophobicContact CD1-CG1 3.98Å; L1320-V1465 HydrophobicContact CD2-CG1 4.07Å; L1330-V1465 HydrophobicContact CD1-CG1 4.49Å; L1330-V1465 HydrophobicContact CD1-CG2 4.24Å; A1333-V1465 HydrophobicContact CB-CG2 3.79Å; L1334-V1465 HydrophobicContact CD2-CG2 4.23Å; Y1401-V1465 HydrophobicContact CE1-CB 4.03Å; Y1401-V1465 HydrophobicContact CE1-CG1 4.25Å; Y1401-V1465 HydrophobicContact CE1-CG2 4.12Å; I1461-V1465 VanDerWaalsContact O-CG2 3.24Å; I1461-V1465 WeakPolarHBondContact O-CG2 3.41Å; I1461-V1465 PolarHBondContact O-N 2.94Å; E1463-V1465 VanDerWaalsContact C-N 3.3Å; E1463-V1465 PolarHBondContact O-N 3.29Å; V1465-A1468 PolarHBondContact O-N 3.26Å; V1465-I1469 HydrophobicContact CG1-CD1 4.35Å; V1465-I1469 WeakPolarHBondContact O-CG1 3.38Å; V1465-I1469 PolarHBondContact O-N 2.84Å; V1465-Y1484 WeakPolarHBondContact CB-OH 3.45Å; V1465-Y1484 WeakPolarHBondContact CG1-OH 3.31Å
1466A96.5Very high92.8Very high0 Ų017.7 Ų17.70%011%0.107CC..Hα-helixtrans-64.2-43.3170.500000110.7L1359 F1462 E1463 A1468 I1469 Y1470 V1480 Y1484L1359-A1466 HydrophobicContact CD1-CB 4.11Å; L1359-A1466 HydrophobicContact CD2-CB 4.04Å; L1359-A1466 HydrophobicContact CG-CB 4.05Å; F1462-A1466 PolarHBondContact O-N 3.22Å; E1463-A1466 WeakPolarHBondContact O-CA 3.47Å; E1463-A1466 WeakPolarHBondContact O-CB 3.43Å; E1463-A1466 PolarHBondContact O-N 3.25Å; A1466-A1468 PolarHBondContact O-N 3.24Å; A1466-I1469 PolarHBondContact O-N 2.77Å; A1466-Y1470 WeakPolarHBondContact O-CB 3.47Å; A1466-Y1470 PolarHBondContact O-N 3.41Å; A1466-V1480 HydrophobicContact CB-CG1 4.1Å; A1466-Y1484 HydrophobicContact CB-CD1 4.36Å; A1466-Y1484 HydrophobicContact CB-CE1 3.82Å; A1466-Y1484 HydrophobicContact CB-CE2 4.12Å; A1466-Y1484 PolarHBondContact N-OH 3.06Å; A1466-Y1484 VanDerWaalsContact N-OH 3.14Å
1467G95Very high93Very high0 Ų010.5 Ų10.50%08%0.076CC..Hα-helixtrans-57.7-4517100000112.6E1463 S1464 Y1470 L1471E1463-G1467 PolarHBondContact O-N 2.65Å; S1464-G1467 PolarHBondContact O-N 3.39Å; G1467-Y1470 WeakPolarHBondContact O-CB 3.27Å; G1467-Y1470 PolarHBondContact O-N 3.25Å; G1467-L1471 WeakPolarHBondContact O-CG 3.16Å; G1467-L1471 PolarHBondContact O-N 3.09Å
1468A95.4Very high92.9Very high0 Ų013.6 Ų13.60%09%0.09CC..Hα-helixtrans-63.2-42.617800000113.3F1324 A1333 M1351 S1464 V1465 A1466 L1471 D1472F1324-A1468 HydrophobicContact CE1-CB 3.98Å; F1324-A1468 HydrophobicContact CZ-CB 4.34Å; A1333-A1468 HydrophobicContact CB-CB 3.96Å; M1351-A1468 HydrophobicContact CE-CB 4.36Å; M1351-A1468 HydrophobicContact SD-CB 4.13Å; S1464-A1468 PolarHBondContact O-N 3.2Å; V1465-A1468 PolarHBondContact O-N 3.26Å; A1466-A1468 PolarHBondContact O-N 3.24Å; A1468-L1471 PolarHBondContact O-N 3.21Å; A1468-D1472 WeakPolarHBondContact O-CB 3.46Å; A1468-D1472 PolarHBondContact O-N 2.94Å
1469I95.9Very high92.9Very high0 Ų015.2 Ų15.20%010%0.1CC..Hα-helixtrans-65.7-39.9175.4-66.1177000110.6L1320 Y1322 F1324 V1465 A1466 L1471 D1472 S1473 V1479 V1480 T1483 Y1484L1320-I1469 HydrophobicContact CD1-CD1 4.46Å; Y1322-I1469 HydrophobicContact CD1-CD1 4.3Å; Y1322-I1469 HydrophobicContact CD1-CG1 3.94Å; Y1322-I1469 HydrophobicContact CD1-CG2 4.37Å; Y1322-I1469 HydrophobicContact CD2-CG2 4.37Å; Y1322-I1469 HydrophobicContact CE1-CG1 4.28Å; Y1322-I1469 HydrophobicContact CE1-CG2 4.32Å; Y1322-I1469 HydrophobicContact CE2-CG2 4.34Å; Y1322-I1469 HydrophobicContact CG-CD1 4.39Å; Y1322-I1469 HydrophobicContact CG-CG1 4.44Å; Y1322-I1469 HydrophobicContact CG-CG2 4.4Å; F1324-I1469 HydrophobicContact CE1-CG1 4.1Å; F1324-I1469 HydrophobicContact CE2-CG1 4.28Å; F1324-I1469 HydrophobicContact CZ-CD1 4.44Å; F1324-I1469 HydrophobicContact CZ-CG1 3.53Å; V1465-I1469 HydrophobicContact CG1-CD1 4.35Å; V1465-I1469 WeakPolarHBondContact O-CG1 3.38Å; V1465-I1469 PolarHBondContact O-N 2.84Å; A1466-I1469 PolarHBondContact O-N 2.77Å; I1469-L1471 VanDerWaalsContact C-N 3.31Å; I1469-L1471 PolarHBondContact O-N 3.39Å; I1469-D1472 PolarHBondContact O-N 2.88Å; I1469-S1473 WeakPolarHBondContact O-CB 3.39Å; I1469-S1473 PolarHBondContact O-N 3.42Å; I1469-S1473 PolarHBondContact O-OG 3.31Å; I1469-V1479 HydrophobicContact CG2-CG1 3.89Å; I1469-V1480 HydrophobicContact CB-CG2 4.45Å; I1469-V1480 HydrophobicContact CG2-CG2 4.13Å; I1469-T1483 HydrophobicContact CD1-CG2 3.62Å; I1469-Y1484 HydrophobicContact CD1-CE2 4.12Å
1470Y94.4Very high93.1Very high7 Ų715.2 Ų15.23%0.02710%0.1CC..Hα-helixtrans-59.1-41.4174.7178.7-106.9000111.9Y1161 V1165 L1354 I1358 A1466 G1467 S1473 C1475 L1477 V1480Y1161-Y1470 HydrophobicContact CE2-CE2 4.23Å; Y1161-Y1470 PolarHBondContact OH-OH 3.13Å; V1165-Y1470 HydrophobicContact CG2-CE1 4Å; L1354-Y1470 HydrophobicContact CD1-CD1 4.47Å; L1354-Y1470 HydrophobicContact CD1-CE1 4.38Å; L1354-Y1470 HydrophobicContact CD2-CD1 4.13Å; L1354-Y1470 HydrophobicContact CG-CD1 4.43Å; I1358-Y1470 HydrophobicContact CD1-CD1 3.5Å; I1358-Y1470 HydrophobicContact CD1-CD2 3.92Å; I1358-Y1470 HydrophobicContact CD1-CE1 4.06Å; I1358-Y1470 HydrophobicContact CD1-CE2 4.43Å; I1358-Y1470 HydrophobicContact CD1-CG 3.42Å; I1358-Y1470 VanDerWaalsContact CD1-CG 3.42Å; A1466-Y1470 WeakPolarHBondContact O-CB 3.47Å; A1466-Y1470 PolarHBondContact O-N 3.41Å; G1467-Y1470 WeakPolarHBondContact O-CB 3.27Å; G1467-Y1470 PolarHBondContact O-N 3.25Å; Y1470-S1473 PolarHBondContact O-OG 3.17Å; Y1470-S1473 VanDerWaalsContact O-OG 3.07Å; Y1470-C1475 HydrophobicContact CE1-CB 4.06Å; Y1470-C1475 VanDerWaalsContact CE2-CA 3.49Å; Y1470-C1475 HydrophobicContact CE2-CB 3.91Å; Y1470-C1475 VanDerWaalsContact CE2-O 3.26Å; Y1470-C1475 WeakPolarHBondContact CE2-O 3.39Å; Y1470-C1475 WeakPolarHBondContact O-CA 3.4Å; Y1470-C1475 PolarHBondContact O-N 3.39Å; Y1470-L1477 HydrophobicContact CD2-CD2 4.24Å; Y1470-L1477 HydrophobicContact CE2-CD2 4.07Å; Y1470-L1477 HydrophobicContact CE2-CG 4.16Å; Y1470-V1480 HydrophobicContact CD2-CG2 4.36Å
1471L92.2Very high93.1Very high13 Ų1314.6 Ų14.67%0.06810%0.097CC..Hα-helixtrans-69.1-49.2176-61.7-169.1000112.5F1168 M1293 Y1329 M1351 L1354 G1467 A1468 I1469 S1473 G1474F1168-L1471 HydrophobicContact CE1-CD1 3.93Å; F1168-L1471 HydrophobicContact CE1-CD2 4.47Å; F1168-L1471 HydrophobicContact CZ-CD1 3.87Å; M1293-L1471 HydrophobicContact CE-CD1 4.2Å; M1293-L1471 HydrophobicContact CE-CD2 3.51Å; M1293-L1471 HydrophobicContact CE-CG 4.42Å; M1293-L1471 HydrophobicContact SD-CD2 3.77Å; Y1329-L1471 HydrophobicContact CD1-CB 4.22Å; Y1329-L1471 HydrophobicContact CD1-CD1 4.01Å; Y1329-L1471 HydrophobicContact CD2-CB 4.38Å; Y1329-L1471 HydrophobicContact CE1-CB 3.91Å; Y1329-L1471 HydrophobicContact CE1-CD1 3.64Å; Y1329-L1471 HydrophobicContact CE1-CG 4.43Å; Y1329-L1471 HydrophobicContact CE2-CB 4.1Å; Y1329-L1471 HydrophobicContact CG-CB 4.46Å; M1351-L1471 HydrophobicContact CE-CD1 4.39Å; L1354-L1471 HydrophobicContact CD2-CD1 4.4Å; L1354-L1471 HydrophobicContact CD2-CD2 3.75Å; L1354-L1471 HydrophobicContact CD2-CG 4.09Å; G1467-L1471 WeakPolarHBondContact O-CG 3.16Å; G1467-L1471 PolarHBondContact O-N 3.09Å; A1468-L1471 PolarHBondContact O-N 3.21Å; I1469-L1471 VanDerWaalsContact C-N 3.31Å; I1469-L1471 PolarHBondContact O-N 3.39Å; L1471-S1473 VanDerWaalsContact C-N 3.34Å; L1471-S1473 PolarHBondContact O-N 3.37Å; L1471-G1474 PolarHBondContact O-N 3.1Å; L1471-G1474 VanDerWaalsContact O-N 3.1Å
1472D93.3Very high92.9Very high5 Ų519.1 Ų19.13%0.02712%0.118CC..Hα-helixtrans-66.9-32.9-176.6-166.482.4000113.6Y1322 F1324 K1325 H1326 Y1329 A1468 I1469 G1474Y1322-D1472 HydrophobicContact CE1-CB 4.31Å; Y1322-D1472 PolarHBondContact OH-OD2 2.91Å; F1324-D1472 HydrophobicContact CD1-CB 3.77Å; F1324-D1472 HydrophobicContact CE1-CB 4.17Å; K1325-D1472 PolarHBondContact N-OD1 3.16Å; K1325-D1472 PolarHBondContact N-OD2 3.37Å; K1325-D1472 PolarHBondContact NZ-O 3.03Å; H1326-D1472 WeakPolarHBondContact CB-OD1 3.37Å; H1326-D1472 IonicContact CD2-OD1 3.72Å; H1326-D1472 IonicContact CG-OD1 2.71Å; H1326-D1472 PolarHBondContact N-OD1 3.24Å; Y1329-D1472 HydrophobicContact CD2-CB 4Å; A1468-D1472 WeakPolarHBondContact O-CB 3.46Å; A1468-D1472 PolarHBondContact O-N 2.94Å; I1469-D1472 PolarHBondContact O-N 2.88Å; D1472-G1474 PolarHBondContact O-N 3.26Å
1473S91.2Very high92.7Very high21 Ų2119.7 Ų19.715%0.14712%0.121CC..THydrogen-bonded Turntrans-71-11174.463.70000113.8Y1322 I1469 Y1470 L1471 S1476Y1322-S1473 PolarHBondContact OH-N 2.88Å; I1469-S1473 WeakPolarHBondContact O-CB 3.39Å; I1469-S1473 PolarHBondContact O-N 3.42Å; I1469-S1473 PolarHBondContact O-OG 3.31Å; Y1470-S1473 PolarHBondContact O-OG 3.17Å; Y1470-S1473 VanDerWaalsContact O-OG 3.07Å; L1471-S1473 VanDerWaalsContact C-N 3.34Å; L1471-S1473 PolarHBondContact O-N 3.37Å; S1473-S1476 PolarHBondContact OG-N 3.1Å
1474G86.9Confident92.6Very high61 Ų6118.8 Ų18.863%0.62912%0.117SC*.THydrogen-bonded Turntrans88.439.4-177.100000113.6L1471 D1472L1471-G1474 PolarHBondContact O-N 3.1Å; L1471-G1474 VanDerWaalsContact O-N 3.1Å; D1472-G1474 PolarHBondContact O-N 3.26Å
1475C88.3Confident92.4Very high34 Ų3419.2 Ų19.223%0.2312%0.119CC..SBendtrans65.936.6-172.6-59.30000114K1169 Y1470K1169-C1475 PolarHBondContact NZ-SG 3.26Å; Y1470-C1475 HydrophobicContact CE1-CB 4.06Å; Y1470-C1475 VanDerWaalsContact CE2-CA 3.49Å; Y1470-C1475 HydrophobicContact CE2-CB 3.91Å; Y1470-C1475 VanDerWaalsContact CE2-O 3.26Å; Y1470-C1475 WeakPolarHBondContact CE2-O 3.39Å; Y1470-C1475 WeakPolarHBondContact O-CA 3.4Å; Y1470-C1475 PolarHBondContact O-N 3.39Å
1476S89.2Confident92Very high35 Ų3521.2 Ų21.225%0.24513%0.132CC..  trans-93.1109177.8-175.40000112.5S1473 E1478 V1479S1473-S1476 PolarHBondContact OG-N 3.1Å; S1476-E1478 PolarHBondContact O-N 3.11Å; S1476-E1478 PolarHBondContact OG-N 2.77Å; S1476-V1479 PolarHBondContact O-N 2.9Å; S1476-V1479 PolarHBondContact OG-N 2.88Å
1477L89.7Confident91.7Very high8 Ų821.8 Ų21.84%0.04214%0.135CC..Hα-helixtrans-61.1-30.9169.5-75.2178.5000112.8Y1161 H1273 I1358 Y1361 L1362 Y1470 V1480 W1481Y1161-L1477 HydrophobicContact CD2-CD2 4.46Å; Y1161-L1477 HydrophobicContact CE1-CD1 4.03Å; Y1161-L1477 HydrophobicContact CE2-CD1 4.32Å; Y1161-L1477 HydrophobicContact CE2-CD2 3.76Å; Y1161-L1477 HydrophobicContact CE2-CG 4.29Å; H1273-L1477 VanDerWaalsContact CE1-CD1 3.44Å; H1273-L1477 WeakPolarHBondContact CE1-CD1 3.4Å; I1358-L1477 HydrophobicContact CG1-CD2 4.32Å; I1358-L1477 HydrophobicContact CG2-CD2 3.88Å; Y1361-L1477 HydrophobicContact CD1-CD1 3.99Å; Y1361-L1477 HydrophobicContact CE1-CD1 3.79Å; L1362-L1477 HydrophobicContact CD1-CD2 4.29Å; L1362-L1477 HydrophobicContact CD2-CB 4.29Å; L1362-L1477 HydrophobicContact CD2-CD2 4.42Å; L1362-L1477 HydrophobicContact CG-CD2 4.29Å; Y1470-L1477 HydrophobicContact CD2-CD2 4.24Å; Y1470-L1477 HydrophobicContact CE2-CD2 4.07Å; Y1470-L1477 HydrophobicContact CE2-CG 4.16Å; L1477-V1480 PolarHBondContact O-N 3.48Å; L1477-W1481 PolarHBondContact O-N 2.89Å; L1477-W1481 VanDerWaalsContact O-N 3.08Å
1478E87.6Confident91.4Very high70 Ų7022 Ų2233%0.32714%0.136SC..Hα-helixtrans-63.8-47.6179.2169.6166.4-153.400111.8F1117 S1476 V1480 W1481 Q1482F1117-E1478 HydrophobicContact CB-CG 4.5Å; F1117-E1478 WeakPolarHBondContact CB-OE1 3.36Å; F1117-E1478 HydrophobicContact CD1-CB 3.91Å; F1117-E1478 HydrophobicContact CD1-CG 4.12Å; F1117-E1478 HydrophobicContact CD2-CB 4.21Å; F1117-E1478 HydrophobicContact CD2-CG 3.66Å; F1117-E1478 HydrophobicContact CE1-CB 3.84Å; F1117-E1478 HydrophobicContact CE1-CG 4.36Å; F1117-E1478 HydrophobicContact CE2-CB 4.08Å; F1117-E1478 HydrophobicContact CE2-CG 3.86Å; F1117-E1478 HydrophobicContact CG-CB 4.14Å; F1117-E1478 HydrophobicContact CG-CG 3.81Å; F1117-E1478 VanDerWaalsContact CZ-CA 3.48Å; F1117-E1478 HydrophobicContact CZ-CB 3.95Å; F1117-E1478 HydrophobicContact CZ-CG 4.26Å; S1476-E1478 PolarHBondContact O-N 3.11Å; S1476-E1478 PolarHBondContact OG-N 2.77Å; E1478-V1480 VanDerWaalsContact C-N 3.29Å; E1478-V1480 PolarHBondContact O-N 3.23Å; E1478-W1481 PolarHBondContact O-N 3.02Å; E1478-W1481 VanDerWaalsContact O-N 3.16Å; E1478-Q1482 VanDerWaalsContact CD-NE2 3.34Å; E1478-Q1482 HydrophobicContact CG-CG 4.12Å; E1478-Q1482 WeakPolarHBondContact O-CB 3.49Å; E1478-Q1482 VanDerWaalsContact O-CG 3.32Å; E1478-Q1482 WeakPolarHBondContact O-CG 3.25Å; E1478-Q1482 PolarHBondContact O-N 3.33Å; E1478-Q1482 PolarHBondContact OE1-NE2 2.85Å
1479V91.5Very high90.8Very high35 Ų3524.9 Ų24.921%0.21215%0.149CC..Hα-helixtrans-64.3-35.9-178.9176.60000111.4Y1322 I1469 S1476 T1483Y1322-V1479 HydrophobicContact CD2-CG1 3.76Å; Y1322-V1479 HydrophobicContact CE2-CG1 3.41Å; Y1322-V1479 VanDerWaalsContact CE2-CG1 3.41Å; I1469-V1479 HydrophobicContact CG2-CG1 3.89Å; S1476-V1479 PolarHBondContact O-N 2.9Å; S1476-V1479 PolarHBondContact OG-N 2.88Å; V1479-T1483 WeakPolarHBondContact O-CB 3.35Å; V1479-T1483 PolarHBondContact O-N 3.1Å; V1479-T1483 VanDerWaalsContact O-N 3.15Å; V1479-T1483 PolarHBondContact O-OG1 3.3Å
1480V93.9Very high89.9Confident0 Ų027.5 Ų27.50%017%0.17CC..Hα-helixtrans-62.4-49.4172.9-179.60000110.6I1358 L1362 A1466 I1469 Y1470 L1477 E1478 T1483 Y1484I1358-V1480 HydrophobicContact CG2-CG1 3.99Å; L1362-V1480 HydrophobicContact CD1-CB 4.15Å; L1362-V1480 HydrophobicContact CD1-CG1 3.88Å; A1466-V1480 HydrophobicContact CB-CG1 4.1Å; I1469-V1480 HydrophobicContact CB-CG2 4.45Å; I1469-V1480 HydrophobicContact CG2-CG2 4.13Å; Y1470-V1480 HydrophobicContact CD2-CG2 4.36Å; L1477-V1480 PolarHBondContact O-N 3.48Å; E1478-V1480 VanDerWaalsContact C-N 3.29Å; E1478-V1480 PolarHBondContact O-N 3.23Å; V1480-T1483 WeakPolarHBondContact O-CB 3.37Å; V1480-T1483 PolarHBondContact O-N 2.96Å; V1480-Y1484 HydrophobicContact CG1-CD2 4.49Å; V1480-Y1484 WeakPolarHBondContact O-CB 3.44Å; V1480-Y1484 PolarHBondContact O-N 3.38Å
1481W92.8Very high88.9Confident0 Ų028.5 Ų28.50%018%0.175CC..Hα-helixtrans-70.6-38.2-177.3-165.3-119.2000113.1F1116 F1117 L1362 V1363 F1366 L1477 E1478 T1483 Y1484 Y1485 I1492F1116-W1481 AromaticContact CD1-CD1 3.52Å; F1116-W1481 AromaticContact CD1-NE1 3.64Å; F1116-W1481 AromaticContact CE1-CD1 3.55Å; F1116-W1481 HydrophobicContact CE1-CG 4.21Å; F1116-W1481 AromaticContact CE1-NE1 3.58Å; F1117-W1481 HydrophobicContact CE2-CB 3.84Å; F1117-W1481 AromaticContact CE2-CD1 3.69Å; F1117-W1481 HydrophobicContact CE2-CG 4.16Å; F1117-W1481 HydrophobicContact CZ-CB 3.75Å; F1117-W1481 AromaticContact CZ-CD1 3.95Å; F1117-W1481 HydrophobicContact CZ-CG 4.18Å; L1362-W1481 HydrophobicContact CB-CD2 4.31Å; L1362-W1481 HydrophobicContact CB-CE3 3.66Å; L1362-W1481 HydrophobicContact CB-CZ3 3.91Å; L1362-W1481 HydrophobicContact CD1-CB 4.16Å; L1362-W1481 HydrophobicContact CD1-CE3 4.09Å; L1362-W1481 HydrophobicContact CD2-CB 4.13Å; L1362-W1481 HydrophobicContact CD2-CG 4.41Å; L1362-W1481 HydrophobicContact CG-CE3 4.34Å; V1363-W1481 HydrophobicContact CG2-CH2 4.07Å; V1363-W1481 HydrophobicContact CG2-CZ3 4Å; F1366-W1481 HydrophobicContact CB-CH2 4.19Å; F1366-W1481 HydrophobicContact CB-CZ2 3.6Å; F1366-W1481 HydrophobicContact CD1-CZ2 4.04Å; F1366-W1481 AromaticContact CD2-CZ2 3.71Å; F1366-W1481 HydrophobicContact CD2-CZ2 3.71Å; F1366-W1481 AromaticContact CD2-NE1 3.78Å; F1366-W1481 HydrophobicContact CE2-CZ2 4.37Å; F1366-W1481 HydrophobicContact CG-CH2 4.37Å; F1366-W1481 AromaticContact CG-CZ2 3.51Å; F1366-W1481 HydrophobicContact CG-CZ2 3.51Å; L1477-W1481 PolarHBondContact O-N 2.89Å; L1477-W1481 VanDerWaalsContact O-N 3.08Å; E1478-W1481 PolarHBondContact O-N 3.02Å; E1478-W1481 VanDerWaalsContact O-N 3.16Å; W1481-T1483 PolarHBondContact O-N 3.22Å; W1481-Y1484 PolarHBondContact O-N 3.26Å; W1481-Y1485 AromaticContact CE2-CD2 3.92Å; W1481-Y1485 HydrophobicContact CH2-CD2 4.27Å; W1481-Y1485 AromaticContact CZ2-CD2 3.58Å; W1481-Y1485 HydrophobicContact CZ2-CD2 3.58Å; W1481-Y1485 HydrophobicContact CZ2-CE2 4.43Å; W1481-Y1485 HydrophobicContact CZ2-CG 4.27Å; W1481-Y1485 WeakPolarHBondContact O-CB 3.39Å; W1481-Y1485 PolarHBondContact O-N 2.67Å; W1481-I1492 HydrophobicContact CH2-CD1 4.09Å
1482Q91Very high88.1Confident95 Ų9529 Ų2944%0.44418%0.178SC..Hα-helixtrans-55-36.6169.7-73.8178.78.200111.8V1113 E1478 P1486V1113-Q1482 HydrophobicContact CG1-CB 4.4Å; V1113-Q1482 HydrophobicContact CG1-CG 3.6Å; E1478-Q1482 VanDerWaalsContact CD-NE2 3.34Å; E1478-Q1482 HydrophobicContact CG-CG 4.12Å; E1478-Q1482 WeakPolarHBondContact O-CB 3.49Å; E1478-Q1482 VanDerWaalsContact O-CG 3.32Å; E1478-Q1482 WeakPolarHBondContact O-CG 3.25Å; E1478-Q1482 PolarHBondContact O-N 3.33Å; E1478-Q1482 PolarHBondContact OE1-NE2 2.85Å; Q1482-P1486 VanDerWaalsContact O-CD 3.28Å; Q1482-P1486 WeakPolarHBondContact O-CD 3.32Å; Q1482-P1486 WeakPolarHBondContact O-CG 3.47Å
1483T92.8Very high86.8Confident11 Ų1131.3 Ų31.37%0.06720%0.202CC..Hα-helixtrans-77.9-46177.4-570000112.8L1320 I1469 V1479 V1480 W1481 M1487L1320-T1483 HydrophobicContact CB-CG2 4.24Å; L1320-T1483 VanDerWaalsContact O-CG2 3.3Å; L1320-T1483 WeakPolarHBondContact O-CG2 3.24Å; I1469-T1483 HydrophobicContact CD1-CG2 3.62Å; V1479-T1483 WeakPolarHBondContact O-CB 3.35Å; V1479-T1483 PolarHBondContact O-N 3.1Å; V1479-T1483 VanDerWaalsContact O-N 3.15Å; V1479-T1483 PolarHBondContact O-OG1 3.3Å; V1480-T1483 WeakPolarHBondContact O-CB 3.37Å; V1480-T1483 PolarHBondContact O-N 2.96Å; W1481-T1483 PolarHBondContact O-N 3.22Å; T1483-M1487 HydrophobicContact CG2-CE 3.93Å; T1483-M1487 VanDerWaalsContact O-CE 3.3Å; T1483-M1487 WeakPolarHBondContact O-CE 3.17Å
1484Y94Very high85.4Confident0 Ų034.6 Ų34.60%022%0.218CC..Hα-helixtrans-88.3-32.8-169.3-88.6-120.3000114.1L1359 Y1401 F1462 V1465 A1466 I1469 V1480 W1481 M1487 M1488L1359-Y1484 HydrophobicContact CD1-CD1 4.31Å; L1359-Y1484 HydrophobicContact CD1-CE1 4.2Å; L1359-Y1484 HydrophobicContact CD2-CD1 3.72Å; L1359-Y1484 HydrophobicContact CD2-CE1 4.3Å; L1359-Y1484 HydrophobicContact CD2-CG 4.3Å; Y1401-Y1484 PolarHBondContact OH-OH 3.14Å; Y1401-Y1484 VanDerWaalsContact OH-OH 3.08Å; F1462-Y1484 HydrophobicContact CD1-CD1 4.4Å; F1462-Y1484 AromaticContact CD1-CE1 3.8Å; F1462-Y1484 HydrophobicContact CD1-CE1 3.8Å; F1462-Y1484 AromaticContact CD2-CE1 3.98Å; F1462-Y1484 HydrophobicContact CD2-CE1 3.98Å; F1462-Y1484 AromaticContact CE1-CD1 3.61Å; F1462-Y1484 HydrophobicContact CE1-CD1 3.61Å; F1462-Y1484 AromaticContact CE1-CE1 3.44Å; F1462-Y1484 HydrophobicContact CE1-CE1 3.44Å; F1462-Y1484 VanDerWaalsContact CE1-CE1 3.44Å; F1462-Y1484 HydrophobicContact CE2-CD1 4.07Å; F1462-Y1484 AromaticContact CE2-CE1 3.6Å; F1462-Y1484 HydrophobicContact CE2-CE1 3.6Å; F1462-Y1484 HydrophobicContact CG-CE1 4.06Å; F1462-Y1484 AromaticContact CZ-CD1 3.41Å; F1462-Y1484 HydrophobicContact CZ-CD1 3.41Å; F1462-Y1484 VanDerWaalsContact CZ-CD1 3.41Å; F1462-Y1484 AromaticContact CZ-CE1 3.33Å; F1462-Y1484 HydrophobicContact CZ-CE1 3.33Å; F1462-Y1484 WeakPolarHBondContact O-CE1 3.34Å; F1462-Y1484 PolarHBondContact O-OH 2.85Å; V1465-Y1484 WeakPolarHBondContact CB-OH 3.45Å; V1465-Y1484 WeakPolarHBondContact CG1-OH 3.31Å; A1466-Y1484 HydrophobicContact CB-CD1 4.36Å; A1466-Y1484 HydrophobicContact CB-CE1 3.82Å; A1466-Y1484 HydrophobicContact CB-CE2 4.12Å; A1466-Y1484 PolarHBondContact N-OH 3.06Å; A1466-Y1484 VanDerWaalsContact N-OH 3.14Å; I1469-Y1484 HydrophobicContact CD1-CE2 4.12Å; V1480-Y1484 HydrophobicContact CG1-CD2 4.49Å; V1480-Y1484 WeakPolarHBondContact O-CB 3.44Å; V1480-Y1484 PolarHBondContact O-N 3.38Å; W1481-Y1484 PolarHBondContact O-N 3.26Å; Y1484-M1487 HydrophobicContact CD2-CE 4.03Å; Y1484-M1487 HydrophobicContact CE2-CE 4.08Å; Y1484-M1487 HydrophobicContact CG-CE 4.42Å; Y1484-M1487 WeakPolarHBondContact O-CB 3.16Å; Y1484-M1487 PolarHBondContact O-N 2.64Å; Y1484-M1488 HydrophobicContact CD1-SD 4.42Å; Y1484-M1488 WeakPolarHBondContact O-CG 3.44Å; Y1484-M1488 PolarHBondContact O-N 3.43Å; Y1484-M1488 VanDerWaalsContact O-N 3.08Å
1485Y90.8Very high83.9Confident8 Ų832.2 Ų32.23%0.03119%0.192CC..Hα-helixtrans-56.6-44.7-179.7176.5-104.8000113.2V1112 V1113 F1366 W1481 M1487 M1488 K1489 I1492V1112-Y1485 HydrophobicContact CB-CE1 4.23Å; V1112-Y1485 HydrophobicContact CG1-CE1 4.01Å; V1113-Y1485 HydrophobicContact CG2-CD1 3.32Å; V1113-Y1485 HydrophobicContact CG2-CE1 4.05Å; V1113-Y1485 HydrophobicContact CG2-CG 3.91Å; F1366-Y1485 AromaticContact CE1-CE2 3.8Å; F1366-Y1485 HydrophobicContact CE1-CE2 3.8Å; F1366-Y1485 HydrophobicContact CE2-CD2 4.41Å; F1366-Y1485 AromaticContact CE2-CE2 3.94Å; F1366-Y1485 HydrophobicContact CE2-CE2 3.94Å; F1366-Y1485 HydrophobicContact CZ-CD2 4.21Å; F1366-Y1485 AromaticContact CZ-CE2 3.38Å; F1366-Y1485 HydrophobicContact CZ-CE2 3.38Å; F1366-Y1485 AromaticContact CZ-CZ 3.86Å; W1481-Y1485 AromaticContact CE2-CD2 3.92Å; W1481-Y1485 HydrophobicContact CH2-CD2 4.27Å; W1481-Y1485 AromaticContact CZ2-CD2 3.58Å; W1481-Y1485 HydrophobicContact CZ2-CD2 3.58Å; W1481-Y1485 HydrophobicContact CZ2-CE2 4.43Å; W1481-Y1485 HydrophobicContact CZ2-CG 4.27Å; W1481-Y1485 WeakPolarHBondContact O-CB 3.39Å; W1481-Y1485 PolarHBondContact O-N 2.67Å; Y1485-M1487 PolarHBondContact O-N 2.74Å; Y1485-M1488 PolarHBondContact O-N 3.3Å; Y1485-M1488 VanDerWaalsContact O-N 3.11Å; Y1485-K1489 HydrophobicContact CE1-CD 4.23Å; Y1485-K1489 HydrophobicContact CE1-CG 4.39Å; Y1485-K1489 WeakPolarHBondContact O-CB 3.34Å; Y1485-K1489 PolarHBondContact O-N 2.97Å; Y1485-I1492 HydrophobicContact CD2-CD1 4.19Å; Y1485-I1492 HydrophobicContact CE2-CD1 4.3Å
1486P90Very high81.8Confident43 Ų4336.7 Ų36.728%0.27921%0.213SC..Hα-helixtrans-57.8-33.3174.7-25.835.8000114.1Q1482Q1482-P1486 VanDerWaalsContact O-CD 3.28Å; Q1482-P1486 WeakPolarHBondContact O-CD 3.32Å; Q1482-P1486 WeakPolarHBondContact O-CG 3.47Å
1487M89.7Confident79.5Confident12 Ų1239.9 Ų39.96%0.05923%0.227CC..Hα-helixtrans-77.6-24.8178.4-65-168.6-94.400113.1L1320 I1395 H1399 Y1401 T1483 Y1484 Y1485L1320-M1487 HydrophobicContact CD2-CE 3.89Å; I1395-M1487 HydrophobicContact CG2-CB 4.17Å; H1399-M1487 HydrophobicContact CB-SD 4.26Å; H1399-M1487 PolarHBondContact CE1-O 3Å; Y1401-M1487 HydrophobicContact CE2-SD 4.26Å; T1483-M1487 HydrophobicContact CG2-CE 3.93Å; T1483-M1487 VanDerWaalsContact O-CE 3.3Å; T1483-M1487 WeakPolarHBondContact O-CE 3.17Å; Y1484-M1487 HydrophobicContact CD2-CE 4.03Å; Y1484-M1487 HydrophobicContact CE2-CE 4.08Å; Y1484-M1487 HydrophobicContact CG-CE 4.42Å; Y1484-M1487 WeakPolarHBondContact O-CB 3.16Å; Y1484-M1487 PolarHBondContact O-N 2.64Å; Y1485-M1487 PolarHBondContact O-N 2.74Å
1488M87.7Confident76.8Confident3 Ų345 Ų452%0.01526%0.263CS..Hα-helixtrans-102.8-13.7-177.6-62.3178.765.100114V1363 F1392 I1395 F1462 Y1484 Y1485 A1490 Q1491 I1492V1363-M1488 HydrophobicContact CG2-CE 3.63Å; F1392-M1488 HydrophobicContact CE1-CE 3.91Å; I1395-M1488 HydrophobicContact CD1-CG 4.19Å; F1462-M1488 HydrophobicContact CE1-SD 4.23Å; F1462-M1488 HydrophobicContact CZ-CG 4.22Å; F1462-M1488 HydrophobicContact CZ-SD 4.34Å; Y1484-M1488 HydrophobicContact CD1-SD 4.42Å; Y1484-M1488 WeakPolarHBondContact O-CG 3.44Å; Y1484-M1488 PolarHBondContact O-N 3.43Å; Y1484-M1488 VanDerWaalsContact O-N 3.08Å; Y1485-M1488 PolarHBondContact O-N 3.3Å; Y1485-M1488 VanDerWaalsContact O-N 3.11Å; M1488-A1490 PolarHBondContact O-N 3.25Å; M1488-A1490 VanDerWaalsContact O-N 3.09Å; M1488-Q1491 PolarHBondContact O-N 2.99Å; M1488-Q1491 VanDerWaalsContact O-N 3.08Å; M1488-I1492 HydrophobicContact CB-CD1 3.77Å; M1488-I1492 HydrophobicContact CB-CG1 4.32Å; M1488-I1492 WeakPolarHBondContact O-CG1 3.41Å; M1488-I1492 PolarHBondContact O-N 3.18Å
1489K83.9Confident74.1Confident62 Ų6243.2 Ų43.227%0.2726%0.258SS..Hα-helixtrans-50-37.9-173.6-178.6175.6176.7179.80113.9D1107 S1108 S1109 Y1485 G1493D1107-K1489 IonicContact OD1-NZ 2.71Å; S1108-K1489 PolarHBondContact OG-NZ 3Å; S1109-K1489 VanDerWaalsContact N-NZ 3.19Å; Y1485-K1489 HydrophobicContact CE1-CD 4.23Å; Y1485-K1489 HydrophobicContact CE1-CG 4.39Å; Y1485-K1489 WeakPolarHBondContact O-CB 3.34Å; Y1485-K1489 PolarHBondContact O-N 2.97Å; K1489-G1493 PolarHBondContact O-N 3.26Å
1490A76.4Confident71.3Confident54 Ų5443.8 Ų43.845%0.44626%0.257SS..Hα-helixtrans-70.6-44.5-179.900000112.6M1488 G1493 N1494M1488-A1490 PolarHBondContact O-N 3.25Å; M1488-A1490 VanDerWaalsContact O-N 3.09Å; A1490-G1493 PolarHBondContact O-N 2.94Å; A1490-N1494 WeakPolarHBondContact O-CB 3.06Å; A1490-N1494 VanDerWaalsContact O-CG 3.27Å; A1490-N1494 PolarHBondContact O-N 3.43Å; A1490-N1494 VanDerWaalsContact O-N 3.08Å
1491Q74.1Confident68.4Low28 Ų2847 Ų4713%0.13127%0.274CS..Hα-helixtrans-66.3-43177.5-73.577.5-1.600111.1L1386 I1395 M1488 N1494L1386-Q1491 HydrophobicContact CD2-CB 4.13Å; I1395-Q1491 HydrophobicContact CD1-CG 4.21Å; I1395-Q1491 HydrophobicContact CG1-CG 4.46Å; M1488-Q1491 PolarHBondContact O-N 2.99Å; M1488-Q1491 VanDerWaalsContact O-N 3.08Å; Q1491-N1494 PolarHBondContact O-N 3.42Å
1492I75.1Confident65.7Low25 Ų2549.2 Ų49.213%0.12828%0.284CS..Hα-helixtrans-63.8-42.3176.2-61.4167.5000110.7F1366 L1386 W1481 Y1485 M1488 N1494 C1495F1366-I1492 HydrophobicContact CD1-CG2 4.24Å; F1366-I1492 HydrophobicContact CE1-CG2 3.87Å; L1386-I1492 HydrophobicContact CD1-CG1 4.12Å; L1386-I1492 HydrophobicContact CD2-CG1 4.03Å; W1481-I1492 HydrophobicContact CH2-CD1 4.09Å; Y1485-I1492 HydrophobicContact CD2-CD1 4.19Å; Y1485-I1492 HydrophobicContact CE2-CD1 4.3Å; M1488-I1492 HydrophobicContact CB-CD1 3.77Å; M1488-I1492 HydrophobicContact CB-CG1 4.32Å; M1488-I1492 WeakPolarHBondContact O-CG1 3.41Å; M1488-I1492 PolarHBondContact O-N 3.18Å; I1492-N1494 VanDerWaalsContact C-N 3.3Å; I1492-N1494 PolarHBondContact O-N 2.99Å; I1492-C1495 PolarHBondContact O-N 3.47Å
1493G66.6Low63.1Low53 Ų5347.3 Ų47.355%0.54628%0.281SS..Hα-helixtrans-67.3-25.7177.800000114.6K1489 A1490K1489-G1493 PolarHBondContact O-N 3.26Å; A1490-G1493 PolarHBondContact O-N 2.94Å
1494N60.6Low60.1Low89 Ų8953.3 Ų53.348%0.47631%0.311SS..THydrogen-bonded Turntrans-88.43.2-179.2-73.4-4.9000114.1A1490 Q1491 I1492 N1496 Y1500A1490-N1494 WeakPolarHBondContact O-CB 3.06Å; A1490-N1494 VanDerWaalsContact O-CG 3.27Å; A1490-N1494 PolarHBondContact O-N 3.43Å; A1490-N1494 VanDerWaalsContact O-N 3.08Å; Q1491-N1494 PolarHBondContact O-N 3.42Å; I1492-N1494 VanDerWaalsContact C-N 3.3Å; I1492-N1494 PolarHBondContact O-N 2.99Å; N1494-N1496 PolarHBondContact O-N 3.05Å; N1494-Y1500 PolarHBondContact O-OH 2.92Å
1495C55Low57.3Low12 Ų1258.6 Ų58.68%0.08134%0.34CS..  trans-73.138.4-178.4-84.60000115.8I1382 I1492 L1497 Y1500I1382-C1495 HydrophobicContact CG2-CB 4.46Å; I1492-C1495 PolarHBondContact O-N 3.47Å; C1495-L1497 VanDerWaalsContact C-N 3.27Å; C1495-L1497 PolarHBondContact O-N 3.23Å; C1495-Y1500 PolarHBondContact SG-OH 2.9Å
1496N45.5Very low54.9Low127 Ų12764.3 Ų64.368%0.67937%0.365SS*.  trans-81.465.5174.5-86.4-23.7000112.6N1494 S1498N1494-N1496 PolarHBondContact O-N 3.05Å; N1496-S1498 VanDerWaalsContact C-N 3.26Å; N1496-S1498 PolarHBondContact O-N 2.99Å; N1496-S1498 PolarHBondContact O-OG 3.27Å
1497L40.3Very low52.6Low102 Ų10263.6 Ų63.653%0.53436%0.359SS..SBendtrans46.2-30.4161-89.285000122.6L1378 C1495 C1499L1378-L1497 HydrophobicContact CD1-CD1 4.05Å; L1378-L1497 HydrophobicContact CD1-CD2 3.74Å; L1378-L1497 HydrophobicContact CD1-CG 3.79Å; L1378-L1497 HydrophobicContact CD2-CD1 4.27Å; L1378-L1497 HydrophobicContact CD2-CD2 3.85Å; L1378-L1497 HydrophobicContact CD2-CG 4.46Å; L1378-L1497 HydrophobicContact CG-CD2 4.47Å; C1495-L1497 VanDerWaalsContact C-N 3.27Å; C1495-L1497 PolarHBondContact O-N 3.23Å; L1497-C1499 PolarHBondContact O-N 3.22Å
1498S34.3Very low50.8Low115 Ų11571.1 Ų71.180%0.80439%0.387SS*.SBendtrans-81.5-12.7-167.659.50000114.6N1496N1496-S1498 VanDerWaalsContact C-N 3.26Å; N1496-S1498 PolarHBondContact O-N 2.99Å; N1496-S1498 PolarHBondContact O-OG 3.27Å
1499C30.8Very low49.3Very low33 Ų3372 Ų7222%0.22339%0.393CS..SBendtrans-13545-158.2580000115.1T1434 L1497T1434-C1499 HydrophobicContact CG2-CB 4.06Å; T1434-C1499 VanDerWaalsContact CG2-O 3.26Å; T1434-C1499 WeakPolarHBondContact CG2-O 3.42Å; T1434-C1499 PolarHBondContact OG1-O 3.47Å; L1497-C1499 PolarHBondContact O-N 3.22Å
1500Y32.9Very low48.3Very low47 Ų4774.5 Ų74.518%0.18440%0.404CS..  trans-134.1118.7175.5-65.9-94.8000111.5A1385 N1431 N1433 N1494 C1495A1385-Y1500 HydrophobicContact CB-CD1 3.64Å; A1385-Y1500 HydrophobicContact CB-CE1 4.11Å; A1385-Y1500 HydrophobicContact CB-CG 4.15Å; N1431-Y1500 PolarHBondContact ND2-OH 3.02Å; N1433-Y1500 HydrophobicContact CB-CD1 3.49Å; N1433-Y1500 VanDerWaalsContact CB-CD1 3.49Å; N1433-Y1500 HydrophobicContact CB-CE1 4.01Å; N1433-Y1500 HydrophobicContact CB-CG 4.38Å; N1494-Y1500 PolarHBondContact O-OH 2.92Å; C1495-Y1500 PolarHBondContact SG-OH 2.9Å
1501D31.7Very low47.6Very low67 Ų6773.5 Ų73.536%0.35839%0.392SS..  trans-142.9106.8175.7-140.1-48.7000109.1N1433 L1528 K1535N1433-D1501 PolarHBondContact O-N 2.83Å; D1501-L1528 WeakPolarHBondContact OD1-CD2 3.48Å; D1501-K1535 IonicContact OD2-NZ 2.82Å; D1501-K1535 PolarHBondContact OD2-NZ 2.92Å
1502K36.2Very low47.2Very low48 Ų4876.2 Ų76.221%0.20941%0.411CS..  trans-105.5139.7-159.5-81.7-156.6156.1-170.70115S1384 A1385 N1388 N1433 L1528S1384-K1502 WeakPolarHBondContact O-CD 3.43Å; S1384-K1502 WeakPolarHBondContact O-CE 3.48Å; S1384-K1502 PolarHBondContact O-NZ 3.47Å; A1385-K1502 VanDerWaalsContact C-NZ 3.27Å; A1385-K1502 VanDerWaalsContact O-CE 3.29Å; A1385-K1502 WeakPolarHBondContact O-CE 3.39Å; A1385-K1502 PolarHBondContact O-NZ 3.38Å; N1388-K1502 WeakPolarHBondContact ND2-CE 3.43Å; N1388-K1502 PolarHBondContact ND2-NZ 2.67Å; N1433-K1502 VanDerWaalsContact CG-CE 3.49Å; N1433-K1502 WeakPolarHBondContact OD1-CE 3.45Å; K1502-L1528 WeakPolarHBondContact O-CD2 3.32Å
1503S36.1Very low47Very low55 Ų5576.5 Ų76.539%0.38541%0.414SS..  trans-158.5110.9-160.586.90000122.1K1524S1503-K1524 VanDerWaalsContact CB-CD 3.41Å; S1503-K1524 VanDerWaalsContact CB-NZ 3.33Å; S1503-K1524 PolarHBondContact O-NZ 3.37Å; S1503-K1524 WeakPolarHBondContact OG-CE 3.43Å; S1503-K1524 PolarHBondContact OG-NZ 2.87Å
1504I30.5Very low46.5Very low136 Ų13684.2 Ų84.270%0.69743%0.432SS*.SBendtrans-140.9145.2139.8-92.6139.3000110.5K1524I1504-K1524 VanDerWaalsContact C-CD 3.44Å; I1504-K1524 WeakPolarHBondContact O-CB 3.35Å
1505N34.4Very low46.7Very low112 Ų11283.4 Ų83.460%0.59945%0.445SS*.SBendtrans68.192.3-171.2-755000119.6T1507 K1524N1505-T1507 PolarHBondContact O-N 3.31Å; N1505-T1507 VanDerWaalsContact O-N 3.15Å; N1505-K1524 CarbonylContact O-C 3.57Å; N1505-K1524 WeakPolarHBondContact O-CA 3.32Å
1506K42Very low46.9Very low127 Ų12785.5 Ų85.555%0.55247%0.469SS*.  trans-75.588.8-176.4-69.2174.8-179.1168.80115K1524K1506-K1524 HydrophobicContact CB-CG 4.23Å; K1506-K1524 HydrophobicContact CG-CD 3.67Å; K1506-K1524 HydrophobicContact CG-CG 3.47Å; K1506-K1524 VanDerWaalsContact CG-CG 3.47Å
1507T41.4Very low47.8Very low28 Ų2883.8 Ų83.817%0.17246%0.456CS..EExtended strand (participates in β ladder)trans-57.6147.2157.6-47.70000110.7E623 N1505 V1509 M1522 G1523 A1529E623-T1507 WeakPolarHBondContact OE2-CG2 3.28Å; E623-T1507 PolarHBondContact OE2-OG1 3.44Å; N1505-T1507 PolarHBondContact O-N 3.31Å; N1505-T1507 VanDerWaalsContact O-N 3.15Å; T1507-V1509 HydrophobicContact CG2-CG2 4.04Å; T1507-M1522 WeakPolarHBondContact O-CA 3.3Å; T1507-G1523 PolarHBondContact N-O 3.46Å; T1507-G1523 PolarHBondContact O-N 3.04Å; T1507-G1523 VanDerWaalsContact O-N 3.09Å; T1507-G1523 VanDerWaalsContact O-O 3.05Å; T1507-A1529 WeakPolarHBondContact O-CB 3.39Å
1508R51.5Low49.4Very low170 Ų17083.9 Ų83.964%0.64245%0.454SS*.EExtended strand (participates in β ladder)trans-112.4118168.4178.7-179.3-81.1-161.8-3.7110.2G1521 M1522R1508-G1521 WeakPolarHBondContact CA-O 3.46Å; R1508-M1522 HydrophobicContact CB-CG 4.01Å; R1508-M1522 HydrophobicContact CG-CG 3.96Å; R1508-M1522 PolarHBondContact NE-SD 2.66Å; R1508-M1522 VanDerWaalsContact NE-SD 3.42Å; R1508-M1522 PolarHBondContact NH2-SD 3.06Å
1509V55.8Low51.1Low22 Ų2280 Ų8013%0.13342%0.423CS..EExtended strand (participates in β ladder)trans-113.6133.7177.9173.40000110T1507 V1511 S1520 G1521 R1526 A1529 K1530T1507-V1509 HydrophobicContact CG2-CG2 4.04Å; V1509-V1511 HydrophobicContact CG1-CG2 4.18Å; V1509-S1520 WeakPolarHBondContact O-CA 3.43Å; V1509-G1521 PolarHBondContact N-O 2.67Å; V1509-G1521 PolarHBondContact O-N 2.68Å; V1509-R1526 HydrophobicContact CG2-CG 3.92Å; V1509-A1529 HydrophobicContact CB-CB 3.85Å; V1509-A1529 HydrophobicContact CG2-CB 3.61Å; V1509-K1530 HydrophobicContact CG1-CB 4Å; V1509-K1530 HydrophobicContact CG1-CG 4.22Å
1510K63.1Low52.7Low115 Ų11580.8 Ų80.850%0.543%0.428SS..EExtended strand (participates in β ladder)trans-91.3138.1162.8-81.7175.2153.1-160.70109.6E1518 F1519K1510-E1518 WeakPolarHBondContact CD-OE1 3.45Å; K1510-E1518 WeakPolarHBondContact CE-OE1 3.25Å; K1510-E1518 VanDerWaalsContact CE-OE2 3.26Å; K1510-E1518 WeakPolarHBondContact CE-OE2 3.46Å; K1510-E1518 IonicContact NZ-OE1 3.17Å; K1510-E1518 PolarHBondContact NZ-OE1 2.93Å; K1510-E1518 IonicContact NZ-OE2 2.68Å; K1510-E1518 PolarHBondContact NZ-OE2 3.43Å; K1510-F1519 CarbonylContact C-O 3.35Å; K1510-F1519 WeakPolarHBondContact CA-O 3.5Å
1511V61.6Low53.6Low33 Ų3378.5 Ų78.520%0.242%0.42CS..EExtended strand (participates in β ladder)trans-121.4119.1169.5174.60000107.8V1509 F1519 K1530 A1533V1509-V1511 HydrophobicContact CG1-CG2 4.18Å; V1511-F1519 PolarHBondContact N-O 2.82Å; V1511-F1519 PolarHBondContact O-N 3.16Å; V1511-K1530 HydrophobicContact CG2-CG 3.85Å; V1511-A1533 HydrophobicContact CB-CB 3.96Å; V1511-A1533 HydrophobicContact CG2-CB 3.53Å
1512T65.8Low54.6Low85 Ų8579.7 Ų79.752%0.52142%0.424SS..EExtended strand (participates in β ladder)trans-97.2125.1177.9-42.10000109.5H1517 E1518T1512-H1517 WeakPolarHBondContact CA-O 3.49Å; T1512-E1518 HydrophobicContact CG2-CG 4.11Å
1513V70.8Confident54.9Low31 Ų3177.5 Ų77.519%0.18842%0.415CS..PPolyproline II helixtrans-92.8152178.8-1750000109.5G1515 G1516 H1517 F1519 A1537 L1541V1513-G1515 PolarHBondContact O-N 3.08Å; V1513-G1516 PolarHBondContact O-N 2.81Å; V1513-H1517 PolarHBondContact N-O 3.38Å; V1513-F1519 HydrophobicContact CB-CE2 4.41Å; V1513-F1519 HydrophobicContact CG2-CD2 3.77Å; V1513-F1519 HydrophobicContact CG2-CE2 3.75Å; V1513-A1537 HydrophobicContact CG2-CB 3.82Å; V1513-L1541 HydrophobicContact CG1-CD1 4.18Å; V1513-L1541 HydrophobicContact CG1-CD2 4.18Å; V1513-L1541 HydrophobicContact CG1-CG 4.48Å
1514K55.8Low55.6Low214 Ų21476.2 Ų76.293%0.9340%0.403SS*.THydrogen-bonded Turntrans-51.4127.8169.6-81-175.9174.9177.50109.2
1515G64.5Low56.4Low73 Ų7372.4 Ų72.475%0.75339%0.388SS*.THydrogen-bonded Turntrans109.6-15.4-166.900000113.9V1513V1513-G1515 PolarHBondContact O-N 3.08Å
1516G61Low57.2Low56 Ų5674 Ų7458%0.57739%0.386SS*.SBendtrans924.8172.700000115.2V1513V1513-G1516 PolarHBondContact O-N 2.81Å
1517H62.7Low57.5Low90 Ų9074.2 Ų74.242%0.41738%0.383SS..  trans-76124.3175.1-63.2-79.6000111T1512 V1513 F1519 Y1540T1512-H1517 WeakPolarHBondContact CA-O 3.49Å; V1513-H1517 PolarHBondContact N-O 3.38Å; H1517-F1519 HydrophobicContact CB-CE2 3.69Å; H1517-F1519 HydrophobicContact CB-CZ 3.97Å; H1517-Y1540 PolarHBondContact CE1-OH 2.64Å; H1517-Y1540 VanDerWaalsContact CE1-OH 3.32Å; H1517-Y1540 PolarHBondContact NE2-OH 3.26Å
1518E75.4Confident58Low105 Ų10573.6 Ų73.649%0.49138%0.379SS..EExtended strand (participates in β ladder)trans-97.4127.9176-65.8-173.1121.700111.9K1510 T1512K1510-E1518 WeakPolarHBondContact CD-OE1 3.45Å; K1510-E1518 WeakPolarHBondContact CE-OE1 3.25Å; K1510-E1518 VanDerWaalsContact CE-OE2 3.26Å; K1510-E1518 WeakPolarHBondContact CE-OE2 3.46Å; K1510-E1518 IonicContact NZ-OE1 3.17Å; K1510-E1518 PolarHBondContact NZ-OE1 2.93Å; K1510-E1518 IonicContact NZ-OE2 2.68Å; K1510-E1518 PolarHBondContact NZ-OE2 3.43Å; T1512-E1518 HydrophobicContact CG2-CG 4.11Å
1519F68.4Low58.1Low33 Ų3365.5 Ų65.515%0.14535%0.348CS..EExtended strand (participates in β ladder)trans-110.8123.4172.7-60.6-85.9000109.2K1510 V1511 V1513 H1517 R1536 A1537 Y1540K1510-F1519 CarbonylContact C-O 3.35Å; K1510-F1519 WeakPolarHBondContact CA-O 3.5Å; V1511-F1519 PolarHBondContact N-O 2.82Å; V1511-F1519 PolarHBondContact O-N 3.16Å; V1513-F1519 HydrophobicContact CB-CE2 4.41Å; V1513-F1519 HydrophobicContact CG2-CD2 3.77Å; V1513-F1519 HydrophobicContact CG2-CE2 3.75Å; H1517-F1519 HydrophobicContact CB-CE2 3.69Å; H1517-F1519 HydrophobicContact CB-CZ 3.97Å; F1519-R1536 HydrophobicContact CB-CB 4.45Å; F1519-R1536 HydrophobicContact CD1-CB 4.23Å; F1519-A1537 HydrophobicContact CB-CB 4.27Å; F1519-A1537 HydrophobicContact CD2-CB 3.62Å; F1519-A1537 HydrophobicContact CE2-CB 4.17Å; F1519-A1537 HydrophobicContact CG-CB 3.85Å; F1519-Y1540 HydrophobicContact CE1-CD1 4.27Å; F1519-Y1540 HydrophobicContact CE1-CD2 4.25Å; F1519-Y1540 AromaticContact CE1-CG 3.8Å; F1519-Y1540 HydrophobicContact CE1-CG 3.8Å; F1519-Y1540 HydrophobicContact CE2-CD1 4.2Å; F1519-Y1540 AromaticContact CZ-CD1 3.44Å; F1519-Y1540 HydrophobicContact CZ-CD1 3.44Å; F1519-Y1540 VanDerWaalsContact CZ-CD1 3.44Å; F1519-Y1540 HydrophobicContact CZ-CD2 4.09Å; F1519-Y1540 HydrophobicContact CZ-CE1 4.06Å; F1519-Y1540 AromaticContact CZ-CG 3.44Å; F1519-Y1540 HydrophobicContact CZ-CG 3.44Å; F1519-Y1540 VanDerWaalsContact CZ-CG 3.44Å
1520S65.8Low58.3Low49 Ų4970.6 Ų70.634%0.34337%0.368SS..EExtended strand (participates in β ladder)trans-94.9129.5173.163.10000111V1509 R1536V1509-S1520 WeakPolarHBondContact O-CA 3.43Å; S1520-R1536 PolarHBondContact O-NH1 2.81Å
1521G52Low58Low0 Ų067.4 Ų67.40%036%0.357CS..EExtended strand (participates in β ladder)trans-112.9148168.600000109.8R1508 V1509 A1529R1508-G1521 WeakPolarHBondContact CA-O 3.46Å; V1509-G1521 PolarHBondContact N-O 2.67Å; V1509-G1521 PolarHBondContact O-N 2.68Å; G1521-A1529 WeakPolarHBondContact CA-O 3.28Å
1522M50.8Low57.9Low91 Ų9167.2 Ų67.245%0.44836%0.356SS..EExtended strand (participates in β ladder)trans-123.5124.4167.6-66.3-175.4-59.100106.5T1507 R1508 T1532T1507-M1522 WeakPolarHBondContact O-CA 3.3Å; R1508-M1522 HydrophobicContact CB-CG 4.01Å; R1508-M1522 HydrophobicContact CG-CG 3.96Å; R1508-M1522 PolarHBondContact NE-SD 2.66Å; R1508-M1522 VanDerWaalsContact NE-SD 3.42Å; R1508-M1522 PolarHBondContact NH2-SD 3.06Å; M1522-T1532 PolarHBondContact O-OG1 3.1Å
1523G42.8Very low57.7Low3 Ų363.1 Ų63.13%0.03133%0.331CS..EExtended strand (participates in β ladder)trans-160.4158.5-172.400000108.5T1507 S1525T1507-G1523 PolarHBondContact N-O 3.46Å; T1507-G1523 PolarHBondContact O-N 3.04Å; T1507-G1523 VanDerWaalsContact O-N 3.09Å; T1507-G1523 VanDerWaalsContact O-O 3.05Å; G1523-S1525 PolarHBondContact O-N 3.26Å; G1523-S1525 VanDerWaalsContact O-N 3.13Å
1524K51.3Low57.4Low28 Ų2863.3 Ų63.312%0.12234%0.336CS..SBendtrans-9528.7-154.3-67.1-145.8-144.1142.20115E1451 S1503 I1504 N1505 K1506 L1528E1451-K1524 WeakPolarHBondContact OE1-CE 3.32Å; E1451-K1524 IonicContact OE1-NZ 3.87Å; E1451-K1524 PolarHBondContact OE1-NZ 2.95Å; S1503-K1524 VanDerWaalsContact CB-CD 3.41Å; S1503-K1524 VanDerWaalsContact CB-NZ 3.33Å; S1503-K1524 PolarHBondContact O-NZ 3.37Å; S1503-K1524 WeakPolarHBondContact OG-CE 3.43Å; S1503-K1524 PolarHBondContact OG-NZ 2.87Å; I1504-K1524 VanDerWaalsContact C-CD 3.44Å; I1504-K1524 WeakPolarHBondContact O-CB 3.35Å; N1505-K1524 CarbonylContact O-C 3.57Å; N1505-K1524 WeakPolarHBondContact O-CA 3.32Å; K1506-K1524 HydrophobicContact CB-CG 4.23Å; K1506-K1524 HydrophobicContact CG-CD 3.67Å; K1506-K1524 HydrophobicContact CG-CG 3.47Å; K1506-K1524 VanDerWaalsContact CG-CG 3.47Å; K1524-L1528 HydrophobicContact CB-CD2 4.33Å
1525S47Very low57.8Low55 Ų5558.1 Ų58.139%0.38531%0.313SS..SBendtrans-165165.4160.867.90000105.8G1523 W1527 L1528 A1529G1523-S1525 PolarHBondContact O-N 3.26Å; G1523-S1525 VanDerWaalsContact O-N 3.13Å; S1525-W1527 PolarHBondContact O-N 2.84Å; S1525-W1527 VanDerWaalsContact O-N 3.16Å; S1525-L1528 PolarHBondContact O-N 2.92Å; S1525-L1528 VanDerWaalsContact O-N 3.11Å; S1525-L1528 PolarHBondContact OG-N 3.44Å; S1525-A1529 WeakPolarHBondContact O-CB 3.47Å; S1525-A1529 PolarHBondContact O-N 2.8Å
1526R50.9Low57.9Low146 Ų14661 Ų6155%0.55130%0.301SS*.Hα-helixtrans-52-39.1174.6-151.7176.8-164.2157.60.3112.6E623 V1509 K1530E623-R1526 WeakPolarHBondContact OE1-CB 3.4Å; E623-R1526 WeakPolarHBondContact OE1-CD 3.43Å; E623-R1526 WeakPolarHBondContact OE1-CG 3.4Å; E623-R1526 IonicContact OE1-CZ 3.62Å; E623-R1526 IonicContact OE1-NE 3.82Å; E623-R1526 PolarHBondContact OE1-NE 2.9Å; V1509-R1526 HydrophobicContact CG2-CG 3.92Å; R1526-K1530 WeakPolarHBondContact O-CB 3.36Å; R1526-K1530 PolarHBondContact O-N 3.11Å
1527W50.2Low58.3Low132 Ų13258.6 Ų58.650%0.528%0.276SS..Hα-helixtrans-64.3-52.1176.3-178.593.5000111.8D1381 S1525 A1529 K1530 N1531D1381-W1527 WeakPolarHBondContact OD1-CH2 3.28Å; D1381-W1527 VanDerWaalsContact OD1-CZ2 3.26Å; D1381-W1527 WeakPolarHBondContact OD1-CZ2 3.38Å; S1525-W1527 PolarHBondContact O-N 2.84Å; S1525-W1527 VanDerWaalsContact O-N 3.16Å; W1527-A1529 VanDerWaalsContact C-N 3.34Å; W1527-A1529 PolarHBondContact O-N 3.34Å; W1527-K1530 CarbonylContact O-C 3.55Å; W1527-K1530 WeakPolarHBondContact O-CB 3.08Å; W1527-K1530 PolarHBondContact O-N 3.45Å; W1527-N1531 WeakPolarHBondContact CH2-ND2 3.38Å; W1527-N1531 WeakPolarHBondContact CZ2-ND2 3.4Å; W1527-N1531 WeakPolarHBondContact O-CB 3.38Å; W1527-N1531 PolarHBondContact O-N 3.01Å
1528L50.1Low58.5Low15 Ų1559.3 Ų59.38%0.07928%0.282CS..Hα-helixtrans-65-40.7-178-160.295.6000110.9D1501 K1502 K1524 S1525 K1530 N1531 T1532D1501-L1528 WeakPolarHBondContact OD1-CD2 3.48Å; K1502-L1528 WeakPolarHBondContact O-CD2 3.32Å; K1524-L1528 HydrophobicContact CB-CD2 4.33Å; S1525-L1528 PolarHBondContact O-N 2.92Å; S1525-L1528 VanDerWaalsContact O-N 3.11Å; S1525-L1528 PolarHBondContact OG-N 3.44Å; L1528-K1530 VanDerWaalsContact C-N 3.32Å; L1528-K1530 PolarHBondContact O-N 3.02Å; L1528-N1531 CarbonylContact O-C 3.57Å; L1528-N1531 WeakPolarHBondContact O-CA 3.48Å; L1528-N1531 WeakPolarHBondContact O-CB 3.45Å; L1528-N1531 PolarHBondContact O-N 3.33Å; L1528-N1531 VanDerWaalsContact O-N 3.09Å; L1528-T1532 PolarHBondContact O-N 3.21Å; L1528-T1532 PolarHBondContact O-OG1 2.86Å
1529A53.9Low58.2Low0 Ų060 Ų600%029%0.285CS..Hα-helixtrans-60.6-41.8175.600000112T1507 V1509 G1521 S1525 W1527 N1531 A1533T1507-A1529 WeakPolarHBondContact O-CB 3.39Å; V1509-A1529 HydrophobicContact CB-CB 3.85Å; V1509-A1529 HydrophobicContact CG2-CB 3.61Å; G1521-A1529 WeakPolarHBondContact CA-O 3.28Å; S1525-A1529 WeakPolarHBondContact O-CB 3.47Å; S1525-A1529 PolarHBondContact O-N 2.8Å; W1527-A1529 VanDerWaalsContact C-N 3.34Å; W1527-A1529 PolarHBondContact O-N 3.34Å; A1529-N1531 VanDerWaalsContact C-N 3.34Å; A1529-A1533 WeakPolarHBondContact O-CB 3.45Å; A1529-A1533 PolarHBondContact O-N 3.35Å
1530K60.6Low58.5Low128 Ų12861.7 Ų61.756%0.55729%0.291SS*.Hα-helixtrans-66.7-34.1173.6-165.7177.3-176.9-177.60111.9V1509 V1511 R1526 W1527 L1528 A1533 A1534V1509-K1530 HydrophobicContact CG1-CB 4Å; V1509-K1530 HydrophobicContact CG1-CG 4.22Å; V1511-K1530 HydrophobicContact CG2-CG 3.85Å; R1526-K1530 WeakPolarHBondContact O-CB 3.36Å; R1526-K1530 PolarHBondContact O-N 3.11Å; W1527-K1530 CarbonylContact O-C 3.55Å; W1527-K1530 WeakPolarHBondContact O-CB 3.08Å; W1527-K1530 PolarHBondContact O-N 3.45Å; L1528-K1530 VanDerWaalsContact C-N 3.32Å; L1528-K1530 PolarHBondContact O-N 3.02Å; K1530-A1533 PolarHBondContact O-N 2.81Å; K1530-A1534 VanDerWaalsContact O-CB 3.24Å; K1530-A1534 WeakPolarHBondContact O-CB 3.48Å; K1530-A1534 PolarHBondContact O-N 2.87Å
1531N56.8Low58.7Low49 Ų4962.7 Ų62.726%0.26229%0.292SS..Hα-helixtrans-70.5-44.4175.8-161.6-27.8000111.2W1527 L1528 A1529 A1533 A1534 K1535W1527-N1531 WeakPolarHBondContact CH2-ND2 3.38Å; W1527-N1531 WeakPolarHBondContact CZ2-ND2 3.4Å; W1527-N1531 WeakPolarHBondContact O-CB 3.38Å; W1527-N1531 PolarHBondContact O-N 3.01Å; L1528-N1531 CarbonylContact O-C 3.57Å; L1528-N1531 WeakPolarHBondContact O-CA 3.48Å; L1528-N1531 WeakPolarHBondContact O-CB 3.45Å; L1528-N1531 PolarHBondContact O-N 3.33Å; L1528-N1531 VanDerWaalsContact O-N 3.09Å; A1529-N1531 VanDerWaalsContact C-N 3.34Å; N1531-A1533 VanDerWaalsContact C-N 3.3Å; N1531-A1533 PolarHBondContact O-N 2.88Å; N1531-A1534 PolarHBondContact O-N 2.92Å; N1531-A1534 VanDerWaalsContact O-N 3.16Å; N1531-K1535 WeakPolarHBondContact O-CG 3.33Å; N1531-K1535 PolarHBondContact O-N 2.84Å
1532T58.6Low59.4Low28 Ų2869.3 Ų69.317%0.17232%0.321CS..Hα-helixtrans-60.1-38.8171.1-44.10000112M1522 L1528 R1536M1522-T1532 PolarHBondContact O-OG1 3.1Å; L1528-T1532 PolarHBondContact O-N 3.21Å; L1528-T1532 PolarHBondContact O-OG1 2.86Å; T1532-R1536 WeakPolarHBondContact O-CG 3.33Å; T1532-R1536 PolarHBondContact O-N 3.13Å
1533A62.3Low60.3Low0 Ų068.4 Ų68.40%032%0.315CS..Hα-helixtrans-66.1-43.8173.700000111.6V1511 A1529 K1530 N1531 R1536 A1537V1511-A1533 HydrophobicContact CB-CB 3.96Å; V1511-A1533 HydrophobicContact CG2-CB 3.53Å; A1529-A1533 WeakPolarHBondContact O-CB 3.45Å; A1529-A1533 PolarHBondContact O-N 3.35Å; K1530-A1533 PolarHBondContact O-N 2.81Å; N1531-A1533 VanDerWaalsContact C-N 3.3Å; N1531-A1533 PolarHBondContact O-N 2.88Å; A1533-R1536 PolarHBondContact O-N 3.18Å; A1533-A1537 WeakPolarHBondContact O-CB 3.19Å; A1533-A1537 PolarHBondContact O-N 3.44Å
1534A64.3Low61.3Low35 Ų3571.7 Ų71.729%0.28933%0.33SS..Hα-helixtrans-66.5-39.5178.500000112.7K1530 N1531 R1536 A1537 L1538K1530-A1534 VanDerWaalsContact O-CB 3.24Å; K1530-A1534 WeakPolarHBondContact O-CB 3.48Å; K1530-A1534 PolarHBondContact O-N 2.87Å; N1531-A1534 PolarHBondContact O-N 2.92Å; N1531-A1534 VanDerWaalsContact O-N 3.16Å; A1534-R1536 VanDerWaalsContact C-N 3.31Å; A1534-R1536 PolarHBondContact O-N 3.16Å; A1534-A1537 PolarHBondContact O-N 3.29Å; A1534-L1538 VanDerWaalsContact O-CB 3.31Å; A1534-L1538 WeakPolarHBondContact O-CB 3.48Å; A1534-L1538 PolarHBondContact O-N 2.88Å
1535K63.5Low61.6Low104 Ų10476.2 Ų76.245%0.45235%0.353SS..Hα-helixtrans-58-42.4171.8-73.3177.5-174.5177.40111.1D1501 N1531 L1538 H1539D1501-K1535 IonicContact OD2-NZ 2.82Å; D1501-K1535 PolarHBondContact OD2-NZ 2.92Å; N1531-K1535 WeakPolarHBondContact O-CG 3.33Å; N1531-K1535 PolarHBondContact O-N 2.84Å; K1535-L1538 PolarHBondContact O-N 2.83Å; K1535-H1539 PolarHBondContact O-N 3.14Å
1536R67.4Low61.9Low135 Ų13576.5 Ų76.551%0.50935%0.35SS..Hα-helixtrans-67.1-43.8175.5-71.7171.7171.3-173-7.7112.3F1519 S1520 T1532 A1533 A1534 H1539 Y1540F1519-R1536 HydrophobicContact CB-CB 4.45Å; F1519-R1536 HydrophobicContact CD1-CB 4.23Å; S1520-R1536 PolarHBondContact O-NH1 2.81Å; T1532-R1536 WeakPolarHBondContact O-CG 3.33Å; T1532-R1536 PolarHBondContact O-N 3.13Å; A1533-R1536 PolarHBondContact O-N 3.18Å; A1534-R1536 VanDerWaalsContact C-N 3.31Å; A1534-R1536 PolarHBondContact O-N 3.16Å; R1536-H1539 PolarHBondContact O-N 3.25Å; R1536-Y1540 PolarHBondContact O-N 3.31Å; R1536-Y1540 VanDerWaalsContact O-N 3.07Å
1537A69Low61.9Low5 Ų573.3 Ų73.34%0.04135%0.351CS..Hα-helixtrans-62.2-40.7174.500000112.3V1513 F1519 A1533 A1534 Y1540 L1541V1513-A1537 HydrophobicContact CG2-CB 3.82Å; F1519-A1537 HydrophobicContact CB-CB 4.27Å; F1519-A1537 HydrophobicContact CD2-CB 3.62Å; F1519-A1537 HydrophobicContact CE2-CB 4.17Å; F1519-A1537 HydrophobicContact CG-CB 3.85Å; A1533-A1537 WeakPolarHBondContact O-CB 3.19Å; A1533-A1537 PolarHBondContact O-N 3.44Å; A1534-A1537 PolarHBondContact O-N 3.29Å; A1537-Y1540 PolarHBondContact O-N 3.18Å; A1537-L1541 WeakPolarHBondContact O-CB 3.29Å; A1537-L1541 VanDerWaalsContact O-CG 3.28Å; A1537-L1541 WeakPolarHBondContact O-CG 3.35Å; A1537-L1541 PolarHBondContact O-N 2.81Å
1538L66.7Low61.6Low104 Ų10473.6 Ų73.655%0.54536%0.357SS..Hα-helixtrans-65.5-39.9175.8-90.2161.8000112.4A1534 K1535 L1541 K1542A1534-L1538 VanDerWaalsContact O-CB 3.31Å; A1534-L1538 WeakPolarHBondContact O-CB 3.48Å; A1534-L1538 PolarHBondContact O-N 2.88Å; K1535-L1538 PolarHBondContact O-N 2.83Å; L1538-L1541 PolarHBondContact O-N 2.7Å; L1538-K1542 WeakPolarHBondContact O-CG 3.35Å; L1538-K1542 PolarHBondContact O-N 3.01Å
1539H69.1Low60.9Low119 Ų11978.4 Ų78.455%0.55138%0.383SS*.Hα-helixtrans-65.1-40.8175.2-165.9-37000111.5K1535 R1536 Q1543K1535-H1539 PolarHBondContact O-N 3.14Å; R1536-H1539 PolarHBondContact O-N 3.25Å; H1539-Q1543 PolarHBondContact ND1-OE1 3.33Å; H1539-Q1543 PolarHBondContact O-N 2.64Å; H1539-Q1543 VanDerWaalsContact O-N 3.1Å
1540Y74.8Confident60Low69 Ų6983.7 Ų83.727%0.27142%0.415SS..Hα-helixtrans-65.4-43.8174178.1-96.1000112.3H1517 F1519 R1536 A1537 K1542 Q1543 Q1544H1517-Y1540 PolarHBondContact CE1-OH 2.64Å; H1517-Y1540 VanDerWaalsContact CE1-OH 3.32Å; H1517-Y1540 PolarHBondContact NE2-OH 3.26Å; F1519-Y1540 HydrophobicContact CE1-CD1 4.27Å; F1519-Y1540 HydrophobicContact CE1-CD2 4.25Å; F1519-Y1540 AromaticContact CE1-CG 3.8Å; F1519-Y1540 HydrophobicContact CE1-CG 3.8Å; F1519-Y1540 HydrophobicContact CE2-CD1 4.2Å; F1519-Y1540 AromaticContact CZ-CD1 3.44Å; F1519-Y1540 HydrophobicContact CZ-CD1 3.44Å; F1519-Y1540 VanDerWaalsContact CZ-CD1 3.44Å; F1519-Y1540 HydrophobicContact CZ-CD2 4.09Å; F1519-Y1540 HydrophobicContact CZ-CE1 4.06Å; F1519-Y1540 AromaticContact CZ-CG 3.44Å; F1519-Y1540 HydrophobicContact CZ-CG 3.44Å; F1519-Y1540 VanDerWaalsContact CZ-CG 3.44Å; R1536-Y1540 PolarHBondContact O-N 3.31Å; R1536-Y1540 VanDerWaalsContact O-N 3.07Å; A1537-Y1540 PolarHBondContact O-N 3.18Å; Y1540-K1542 VanDerWaalsContact C-N 3.34Å; Y1540-K1542 PolarHBondContact O-N 2.94Å; Y1540-Q1543 PolarHBondContact O-N 3.36Å; Y1540-Q1544 HydrophobicContact CD1-CG 4.1Å; Y1540-Q1544 HydrophobicContact CE1-CG 3.7Å; Y1540-Q1544 HydrophobicContact CE2-CG 4.34Å; Y1540-Q1544 WeakPolarHBondContact O-CB 3.31Å; Y1540-Q1544 WeakPolarHBondContact O-CG 3.39Å; Y1540-Q1544 PolarHBondContact O-N 2.76Å
1541L69.9Low58.5Low71 Ų7181.8 Ų81.837%0.37242%0.423SS..Hα-helixtrans-63.7-37.5177.1-78168.7000112.2V1513 A1537 L1538 Q1544 M1545V1513-L1541 HydrophobicContact CG1-CD1 4.18Å; V1513-L1541 HydrophobicContact CG1-CD2 4.18Å; V1513-L1541 HydrophobicContact CG1-CG 4.48Å; A1537-L1541 WeakPolarHBondContact O-CB 3.29Å; A1537-L1541 VanDerWaalsContact O-CG 3.28Å; A1537-L1541 WeakPolarHBondContact O-CG 3.35Å; A1537-L1541 PolarHBondContact O-N 2.81Å; L1538-L1541 PolarHBondContact O-N 2.7Å; L1541-Q1544 PolarHBondContact O-N 2.86Å; L1541-M1545 WeakPolarHBondContact O-CG 3.46Å; L1541-M1545 PolarHBondContact O-N 3.24Å
1542K67.3Low57.3Low138 Ų13884.3 Ų84.360%0.645%0.451SS*.Hα-helixtrans-61.7-56.2171.7-78.5-170.1172.2-164.30111.3L1538 Y1540 Q1544 M1545 D1546L1538-K1542 WeakPolarHBondContact O-CG 3.35Å; L1538-K1542 PolarHBondContact O-N 3.01Å; Y1540-K1542 VanDerWaalsContact C-N 3.34Å; Y1540-K1542 PolarHBondContact O-N 2.94Å; K1542-Q1544 PolarHBondContact O-N 2.94Å; K1542-Q1544 VanDerWaalsContact O-N 3.07Å; K1542-M1545 WeakPolarHBondContact O-CA 3.45Å; K1542-M1545 PolarHBondContact O-N 3.29Å; K1542-D1546 WeakPolarHBondContact O-CB 3.39Å; K1542-D1546 PolarHBondContact O-N 3.3Å; K1542-D1546 VanDerWaalsContact O-OD2 3.1Å
1543Q69.3Low55.9Low72 Ų7291.4 Ų91.434%0.33649%0.486SS..Hα-helixtrans-58.4-28.3178.2-71.6-173.5-66.100113.4E1038 H1539 Y1540 S1547E1038-Q1543 PolarHBondContact OE1-NE2 3.14Å; H1539-Q1543 PolarHBondContact ND1-OE1 3.33Å; H1539-Q1543 PolarHBondContact O-N 2.64Å; H1539-Q1543 VanDerWaalsContact O-N 3.1Å; Y1540-Q1543 PolarHBondContact O-N 3.36Å; Q1543-S1547 WeakPolarHBondContact O-CB 3.26Å; Q1543-S1547 PolarHBondContact O-N 2.98Å; Q1543-S1547 PolarHBondContact O-OG 2.73Å
1544Q65.4Low54.2Low72 Ų7297.6 Ų97.634%0.33652%0.519SS..Hα-helixtrans-74-36.1171.1-78.8-75.9-64.400114Y1540 L1541 K1542 Q1548Y1540-Q1544 HydrophobicContact CD1-CG 4.1Å; Y1540-Q1544 HydrophobicContact CE1-CG 3.7Å; Y1540-Q1544 HydrophobicContact CE2-CG 4.34Å; Y1540-Q1544 WeakPolarHBondContact O-CB 3.31Å; Y1540-Q1544 WeakPolarHBondContact O-CG 3.39Å; Y1540-Q1544 PolarHBondContact O-N 2.76Å; L1541-Q1544 PolarHBondContact O-N 2.86Å; K1542-Q1544 PolarHBondContact O-N 2.94Å; K1542-Q1544 VanDerWaalsContact O-N 3.07Å; Q1544-Q1548 WeakPolarHBondContact O-CG 3.28Å; Q1544-Q1548 PolarHBondContact O-N 3.49Å
1545M56.5Low52.6Low123 Ų123104.5 Ų104.561%0.60655%0.545SS*.Hα-helixtrans-72.8-37.2175-73.9-172.8106.300111.8L1541 K1542 N1549L1541-M1545 WeakPolarHBondContact O-CG 3.46Å; L1541-M1545 PolarHBondContact O-N 3.24Å; K1542-M1545 WeakPolarHBondContact O-CA 3.45Å; K1542-M1545 PolarHBondContact O-N 3.29Å; M1545-N1549 PolarHBondContact O-ND2 2.98Å; M1545-N1549 VanDerWaalsContact O-ND2 3.1Å
1546D52.8Low50.8Low62 Ų62103.7 Ų103.733%0.33255%0.553SS.*Hα-helixtrans-59.9-65.9170.4-55.1-26.2000107.5E1037 K1542 Q1548 N1549E1037-D1546 HydrophobicContact CG-CB 4.35Å; E1037-D1546 WeakPolarHBondContact OE1-CA 3.32Å; E1037-D1546 WeakPolarHBondContact OE1-CB 3.32Å; K1542-D1546 WeakPolarHBondContact O-CB 3.39Å; K1542-D1546 PolarHBondContact O-N 3.3Å; K1542-D1546 VanDerWaalsContact O-OD2 3.1Å; D1546-Q1548 PolarHBondContact O-N 2.62Å; D1546-N1549 PolarHBondContact O-N 2.88Å
1547S51.6Low48.8Very low79 Ų79105 Ų10555%0.55257%0.565SS**THydrogen-bonded Turntrans-55.6-2.4-177-64.10000117.7E1037 Q1543E1037-S1547 PolarHBondContact OE2-N 3.36Å; Q1543-S1547 WeakPolarHBondContact O-CB 3.26Å; Q1543-S1547 PolarHBondContact O-N 2.98Å; Q1543-S1547 PolarHBondContact O-OG 2.73Å
1548Q43.9Very low46.9Very low138 Ų138110.2 Ų110.265%0.64560%0.596SS**THydrogen-bonded Turntrans-116.1-0177.8-69-174.62000114.6Q1544 D1546 V1550Q1544-Q1548 WeakPolarHBondContact O-CG 3.28Å; Q1544-Q1548 PolarHBondContact O-N 3.49Å; D1546-Q1548 PolarHBondContact O-N 2.62Å; Q1548-V1550 VanDerWaalsContact C-N 3.28Å; Q1548-V1550 PolarHBondContact O-N 3.27Å
1549N36.2Very low45.1Very low116 Ų116110 Ų11062%0.6260%0.603SS**  trans-79.77.4-173.7-92.8-37000116.5M1545 D1546M1545-N1549 PolarHBondContact O-ND2 2.98Å; M1545-N1549 VanDerWaalsContact O-ND2 3.1Å; D1546-N1549 PolarHBondContact O-N 2.88Å
1550V34.6Very low43Very low111 Ų111111.6 Ų111.667%0.67362%0.615SS**SBendtrans-90.6108.7170.6-175.30000110.6Q1548Q1548-V1550 VanDerWaalsContact C-N 3.28Å; Q1548-V1550 PolarHBondContact O-N 3.27Å
1551A29.1Very low40.7Very low88 Ų88114.9 Ų114.973%0.72764%0.636SS**SBendtrans77.181.5171.900000119
1552A32Very low38.6Very low101 Ų101120.1 Ų120.184%0.83566%0.658SS**  trans62.9116.8138.200000120.8
1553I28.3Very low37.1Very low178 Ų178119.3 Ų119.391%0.91366%0.661SS**  trans-146.1160.8152.6-106.9153.6000111
1554D27.5Very low35.4Very low129 Ų129121.7 Ų121.769%0.6968%0.678SS**  trans-67.2158.6-163-146.9-23.5000116.4S1556D1554-S1556 PolarHBondContact O-N 2.99Å
1555H29.4Very low33.8Very low180 Ų180124.5 Ų124.583%0.83370%0.697SS**THydrogen-bonded Turntrans-72.214.4-175-93.4-56.7000115.4
1556S26.9Very low32.4Very low88 Ų88124.6 Ų124.662%0.61570%0.703SS**THydrogen-bonded Turntrans-102.81.3-16159.90000116.9D1554D1554-S1556 PolarHBondContact O-N 2.99Å
1557Q25.3Very low31.2Very low163 Ų163128.5 Ų128.576%0.76273%0.726SS**  trans-116.85-175.9-64.5-158.33.700116.3S1559Q1557-S1559 PolarHBondContact O-N 3.21Å; Q1557-S1559 VanDerWaalsContact O-N 3.07Å
1558T28.5Very low29.8Very low113 Ų113131.8 Ų131.869%0.69374%0.737SS**G310 helixtrans-69.8-6.9-172.9-28.90000114.8L1560T1558-L1560 PolarHBondContact O-N 3.08Å
1559S28.3Very low28.8Very low100 Ų100131.4 Ų131.470%0.69974%0.744SS**G310 helixtrans-95.123.4-172.570.60000115.2Q1557Q1557-S1559 PolarHBondContact O-N 3.21Å; Q1557-S1559 VanDerWaalsContact O-N 3.07Å
1560L26Very low28.2Very low152 Ų152132.5 Ų132.580%0.79675%0.753SS**G310 helixtrans-133.78.9-173.7-115162.8000114.1T1558T1558-L1560 PolarHBondContact O-N 3.08Å
1561I25.6Very low27.7Very low139 Ų139134.3 Ų134.371%0.71376%0.76SS**  trans-130.89.3176.4-52.1-179.7000110.1Y967Y967-I1561 PolarHBondContact OH-O 3.32Å
1562Q25.3Very low27.6Very low181 Ų181138.5 Ų138.585%0.84676%0.763SS**  trans-95.30157.3-73.6-173-11.900108.4Y967Y967-Q1562 HydrophobicContact CD2-CG 4.36Å; Y967-Q1562 HydrophobicContact CE1-CG 4.45Å; Y967-Q1562 HydrophobicContact CE2-CG 3.52Å; Y967-Q1562 WeakPolarHBondContact OH-CG 3.19Å

Retrieved 1,562 of 1,562 residues in 583.7 ms (Link to these results)

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