A0A3Q0KBA8_SCHMA Loading...

Similar to WD repeat domain 19-related

AlphaFold DB (A0A5K4E825), UniProt , Accession A0A3Q0KBA8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,514 aa.

>A0A3Q0KBA8_SCHMA|A0A3Q0KBA8
MSWDADGDNLAIIDDKTSSVTLWDSISFKISQIHTGVRDNLTVLSWSKVGSRLAIGTSKGNLIIYNHKNLKKTSLLGKHTRRITCAAWNRNNIIALASDDKSITVNSSEGDLIKHTIIHDQPLSLDFGRMKLDDTSGIEDNTVSCIIGKKKLLLLNLNDVENPLELAFRQVYGDLIAYHWFGDGYIMVGFSSGYFVVISTQSSEFGKEIYQIRDHKDSLHDISVSTVLNRCATVGDCCVKIHDLQNIRELTAIIELEQQEEEINNSNNNNMNANSIGNNLLRYQLQWSSDGQIMAICTPQKLLHVFLSQLPLLASLASPNSANLLARLTSLLEVTVEPIPNAKQVADLPELYRSSYLLKIETEPTFIGLGQKYLSVGINNHVWFYELTKSEIVLVTEYDYLTTVDRISLNESYAAACGPDGKLTLHWINPKTSPDKSDMTNNQNKLNKTLRNDDTNHLSRESCIFPQSTSFDLKITSFKLTNDFLIYSTNHGEIFHFNISDWNYANNYRHNCSILHIFPNAIGTRVAFVDEKGLAFIYNPANDQLIEIPEFCPSISNILWDLEDTENPLLIAYDNLRINVYRYFMNECILTNLSVVVSSRKVDNMLEIPMKQFTDKSQNNSILITNHNKNINNGTSRSNSVTSTNFGNNKIDSNKSATGAIFGNCHLVGVTRLPNGHLPLCSINGELCMLSPTGRLLTQLLTTHQFRLYTKRKELTTDEKDFRNDSVKKNFEFTGLKKLSFHDMVTYFEQALKSGCFEDAEIFANHLDSQQIWRQLGMSCLRVMNFDLAIRCFRSIQDAGLILAVQRIQKIENRYLLAGYIAMILNEFDKAQELFLISSEPIAALEMRRDLLHWEDALQLARNLAPKEIPFICREYAMEMECTGDYVNALMHYERALKPSGDNNEDKSLWNSKEKHQLSQKKKLDYNEEEWSKHINLCNAGIARNAIRLGDLKRGIELASTTGNSNLQKECADILEKCKQWQEAANLYELAGCYESAVIVNLKCRNYKKVSELLIHVTNTPRLHLQYAKARETDGAYKDAVEAYETAHEFDSVIRLQLEKLNNPNEAIRILNKSHSIEGAKMIAQYFIRNNDQTKAIQFLVISKCFNIAFDLARKHKKMELYAEAIGLNASLSEYQNIAFYFENEKNWYLAGKYYLLAKQYEKAIKHLLHVPYQENSPAIDLALEVVGEAGDSRLTHLVIVYLMGETDGIVKDARYLFRLYMVLKQYKEAARTAVIIANEEQINGNYRNAHDLLFSMVQELRQRNIHVPFEMFENLTLLHSYILAKVHVKNGEHLLGARMLIRVSESISKFPSHIVPILTSTVIECQKAGLKSTSFSYAAMLLRPEYRDKLDVKYRRKFETLVRRTDLKTDSVGVSPRGIGSTLNQTNYSVTETSTPCPSCGSPLLETSLYCTECRSTIPYCVITGYHVIKNDFATCPGCQFPALYSELMKYVENCPTPVCPMCNIHLTRDSIRRLIDSSDILNQWISSLNVGICENESNEKYLESSKQTMLVK
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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
1M90.3Very high87.7Confident16 Ų1624.4 Ų24.48%0.07914%0.138CC..  0151.20-59.5-163.7-65.100108.4L10 A11 I12 Q284 Q286 C297 L303M1-L10 HydrophobicContact CB-CD1 4.2Å; M1-L10 HydrophobicContact SD-CD2 4.44Å; M1-A11 CarbonylContact C-O 3.6Å; M1-A11 WeakPolarHBondContact CA-O 3.46Å; M1-I12 HydrophobicContact CG-CG1 4.16Å; M1-I12 HydrophobicContact CG-CG2 4.34Å; M1-I12 HydrophobicContact SD-CD1 4.35Å; M1-I12 HydrophobicContact SD-CG1 4.34Å; M1-Q284 HydrophobicContact CB-CG 4.35Å; M1-Q284 HydrophobicContact CE-CB 3.83Å; M1-Q284 HydrophobicContact CE-CG 3.79Å; M1-Q284 WeakPolarHBondContact CE-O 3.39Å; M1-Q284 HydrophobicContact CG-CG 4.38Å; M1-Q284 VanDerWaalsContact N-NE2 3.12Å; M1-Q284 PolarHBondContact O-NE2 3.29Å; M1-Q286 PolarHBondContact O-OE1 2.98Å; M1-C297 HydrophobicContact CE-CB 3.53Å; M1-C297 HydrophobicContact CG-CB 4.43Å; M1-C297 HydrophobicContact SD-CB 3.41Å; M1-C297 WeakPolarHBondContact SD-CB 3.44Å; M1-L303 HydrophobicContact SD-CD1 3.81Å
2S92.1Very high88Confident9 Ų925.2 Ų25.26%0.06314%0.141CC..EExtended strand (participates in β ladder)trans-154.2132.6171.4-168.90000109.8A11 W46S2-A11 PolarHBondContact N-O 3.09Å; S2-A11 PolarHBondContact O-N 3.02Å; S2-W46 PolarHBondContact O-NE1 3.39Å; S2-W46 PolarHBondContact OG-N 2.88Å; S2-W46 VanDerWaalsContact OG-N 3.07Å
3W92.4Very high88.2Confident10 Ų1026.2 Ų26.24%0.03815%0.145CC..EExtended strand (participates in β ladder)trans-81.8149167.6-71.8104.5000112.1G7 L10 W23 W46 Q286 W287 I293 A295W3-G7 WeakPolarHBondContact CZ3-O 3.5Å; W3-L10 HydrophobicContact CD2-CB 4.14Å; W3-L10 HydrophobicContact CD2-CD1 3.78Å; W3-L10 HydrophobicContact CD2-CG 4.48Å; W3-L10 HydrophobicContact CE3-CB 3.89Å; W3-L10 HydrophobicContact CE3-CD1 4.39Å; W3-L10 HydrophobicContact CG-CD1 3.93Å; W3-L10 HydrophobicContact CH2-CB 4.31Å; W3-L10 HydrophobicContact CZ2-CB 4.44Å; W3-L10 HydrophobicContact CZ2-CD1 4.46Å; W3-L10 HydrophobicContact CZ2-CD2 4.37Å; W3-L10 HydrophobicContact CZ3-CB 3.97Å; W3-W23 HydrophobicContact CH2-CE3 4.27Å; W3-W23 AromaticContact CH2-CZ3 3.57Å; W3-W23 HydrophobicContact CH2-CZ3 3.57Å; W3-W23 HydrophobicContact CZ2-CZ3 4.42Å; W3-W23 HydrophobicContact CZ3-CE3 4.48Å; W3-W23 HydrophobicContact CZ3-CZ3 4.07Å; W3-W46 WeakPolarHBondContact O-CB 3.48Å; W3-Q286 PolarHBondContact NE1-O 3.3Å; W3-W287 VanDerWaalsContact CD1-C 3.47Å; W3-I293 HydrophobicContact CH2-CB 4.12Å; W3-I293 HydrophobicContact CH2-CD1 4.32Å; W3-I293 HydrophobicContact CH2-CG2 3.86Å; W3-I293 HydrophobicContact CZ2-CB 4.2Å; W3-I293 HydrophobicContact CZ2-CG2 3.83Å; W3-A295 HydrophobicContact CZ2-CB 3.84Å
4D89.9Confident87.8Confident11 Ų1127.7 Ų27.76%0.05915%0.153CC..  trans-73.2176.9168.868.4-6.8000112.3D6 G7 D8 N9 W46D4-D6 VanDerWaalsContact C-N 3.27Å; D4-D6 PolarHBondContact O-N 3.42Å; D4-G7 WeakPolarHBondContact OD1-CA 3.39Å; D4-G7 PolarHBondContact OD1-N 3.29Å; D4-D8 PolarHBondContact OD1-N 2.96Å; D4-N9 HydrophobicContact CB-CB 4.43Å; D4-N9 VanDerWaalsContact CG-N 3.35Å; D4-N9 PolarHBondContact N-O 2.72Å; D4-N9 PolarHBondContact OD1-N 3.38Å; D4-N9 WeakPolarHBondContact OD2-CB 3.19Å; D4-N9 PolarHBondContact OD2-N 3.05Å; D4-N9 PolarHBondContact OD2-ND2 3.46Å; D4-W46 HydrophobicContact CB-CD2 3.87Å; D4-W46 HydrophobicContact CB-CE3 4.09Å; D4-W46 HydrophobicContact CB-CG 4.19Å; D4-W46 HydrophobicContact CB-CZ2 4.42Å; D4-W46 HydrophobicContact CB-CZ3 4.47Å
5A84.9Confident86.9Confident25 Ų2529.3 Ų29.321%0.20716%0.161CC..SBendtrans-68.3-28-174.700000113S289A5-S289 VanDerWaalsContact C-OG 3.28Å; A5-S289 WeakPolarHBondContact O-CB 3.35Å; A5-S289 PolarHBondContact O-OG 3.41Å
6D77.7Confident86.2Confident112 Ų11237.3 Ų37.360%0.59919%0.194SC*.SBendtrans-92.1-19-175.7-57.4-47.8000112.3D4D4-D6 VanDerWaalsContact C-N 3.27Å; D4-D6 PolarHBondContact O-N 3.42Å
7G81Confident85.8Confident4 Ų437.8 Ų37.84%0.04120%0.199CC..SBendtrans89.26.4-177.700000113.8W3 D4 S25W3-G7 WeakPolarHBondContact CZ3-O 3.5Å; D4-G7 WeakPolarHBondContact OD1-CA 3.39Å; D4-G7 PolarHBondContact OD1-N 3.29Å; G7-S25 PolarHBondContact O-OG 3.05Å
8D81.4Confident85.7Confident60 Ų6038.1 Ų38.132%0.32121%0.205SC..SBendtrans-83.5-34.7-176.1-66.8-16.7000112.1D4 D24 S25D4-D8 PolarHBondContact OD1-N 2.96Å; D8-D24 CarbonylContact O-C 3.57Å; D8-D24 WeakPolarHBondContact O-CA 3.44Å; D8-S25 WeakPolarHBondContact CA-OG 3.26Å; D8-S25 PolarHBondContact O-N 3.07Å; D8-S25 PolarHBondContact O-OG 3.03Å; D8-S25 VanDerWaalsContact O-OG 3.11Å
9N88.8Confident86Confident21 Ų2136.5 Ų36.511%0.11220%0.197CC..EExtended strand (participates in β ladder)trans-124.8125.3-171.9-60.1-83000112.9D4 W23D4-N9 HydrophobicContact CB-CB 4.43Å; D4-N9 VanDerWaalsContact CG-N 3.35Å; D4-N9 PolarHBondContact N-O 2.72Å; D4-N9 PolarHBondContact OD1-N 3.38Å; D4-N9 WeakPolarHBondContact OD2-CB 3.19Å; D4-N9 PolarHBondContact OD2-N 3.05Å; D4-N9 PolarHBondContact OD2-ND2 3.46Å; N9-W23 WeakPolarHBondContact CA-O 3.14Å
10L92.6Very high86.3Confident0 Ų034.7 Ų34.70%019%0.187CC..EExtended strand (participates in β ladder)trans-100.6119.5171.4-17761.9000110.9M1 W3 I12 L22 W23 A295 L303M1-L10 HydrophobicContact CB-CD1 4.2Å; M1-L10 HydrophobicContact SD-CD2 4.44Å; W3-L10 HydrophobicContact CD2-CB 4.14Å; W3-L10 HydrophobicContact CD2-CD1 3.78Å; W3-L10 HydrophobicContact CD2-CG 4.48Å; W3-L10 HydrophobicContact CE3-CB 3.89Å; W3-L10 HydrophobicContact CE3-CD1 4.39Å; W3-L10 HydrophobicContact CG-CD1 3.93Å; W3-L10 HydrophobicContact CH2-CB 4.31Å; W3-L10 HydrophobicContact CZ2-CB 4.44Å; W3-L10 HydrophobicContact CZ2-CD1 4.46Å; W3-L10 HydrophobicContact CZ2-CD2 4.37Å; W3-L10 HydrophobicContact CZ3-CB 3.97Å; L10-I12 HydrophobicContact CD2-CD1 4Å; L10-I12 HydrophobicContact CD2-CG1 4.29Å; L10-I12 HydrophobicContact CG-CD1 4.24Å; L10-I12 HydrophobicContact CG-CG1 4.03Å; L10-L22 WeakPolarHBondContact O-CA 3.22Å; L10-W23 HydrophobicContact CB-CE3 3.88Å; L10-W23 HydrophobicContact CD2-CE3 4.39Å; L10-W23 PolarHBondContact N-O 3.46Å; L10-W23 PolarHBondContact O-N 3.41Å; L10-A295 HydrophobicContact CD2-CB 3.78Å; L10-L303 HydrophobicContact CD2-CD1 3.82Å; L10-L303 HydrophobicContact CD2-CD2 3.94Å
11A93.7Very high86.6Confident0 Ų034.9 Ų34.90%019%0.189CC..EExtended strand (participates in β ladder)trans-93132.6173.500000112.1M1 S2 V20 T21 L22 L44 W46 L53M1-A11 CarbonylContact C-O 3.6Å; M1-A11 WeakPolarHBondContact CA-O 3.46Å; S2-A11 PolarHBondContact N-O 3.09Å; S2-A11 PolarHBondContact O-N 3.02Å; A11-V20 HydrophobicContact CB-CG1 3.97Å; A11-T21 CarbonylContact C-O 3.54Å; A11-T21 WeakPolarHBondContact CA-O 3.34Å; A11-L22 HydrophobicContact CB-CD2 3.55Å; A11-L44 HydrophobicContact CB-CD1 3.9Å; A11-L44 WeakPolarHBondContact O-CD1 3.33Å; A11-W46 HydrophobicContact CB-CZ2 4.42Å; A11-L53 HydrophobicContact CB-CD1 4.27Å; A11-L53 HydrophobicContact CB-CD2 4Å
12I91.5Very high86.7Confident34 Ų3434.2 Ų34.217%0.17419%0.186CC..EExtended strand (participates in β ladder)trans-133.5137.2-176.6-50.5178.2000109.4M1 L10 T21 L303M1-I12 HydrophobicContact CG-CG1 4.16Å; M1-I12 HydrophobicContact CG-CG2 4.34Å; M1-I12 HydrophobicContact SD-CD1 4.35Å; M1-I12 HydrophobicContact SD-CG1 4.34Å; L10-I12 HydrophobicContact CD2-CD1 4Å; L10-I12 HydrophobicContact CD2-CG1 4.29Å; L10-I12 HydrophobicContact CG-CD1 4.24Å; L10-I12 HydrophobicContact CG-CG1 4.03Å; I12-T21 PolarHBondContact N-O 2.68Å; I12-T21 PolarHBondContact O-N 3.06Å; I12-L303 HydrophobicContact CD1-CD1 4.2Å; I12-L303 HydrophobicContact CD1-CD2 3.82Å
13I90.4Very high86.6Confident38 Ų3835 Ų3520%0.19519%0.188CC..  trans-121.7151.617050.6170.2000109V20 L41 L44I13-V20 HydrophobicContact CG2-CB 4.34Å; I13-V20 HydrophobicContact CG2-CG1 4.39Å; I13-V20 HydrophobicContact CG2-CG2 3.81Å; I13-L41 HydrophobicContact CB-CB 4.26Å; I13-L41 HydrophobicContact CD1-CB 4.05Å; I13-L41 HydrophobicContact CG2-CB 3.89Å; I13-L41 HydrophobicContact CG2-CD1 3.62Å; I13-L41 HydrophobicContact CG2-CG 4.41Å; I13-L44 HydrophobicContact CB-CD1 4.21Å; I13-L44 HydrophobicContact CB-CG 4.4Å; I13-L44 HydrophobicContact CD1-CG 3.98Å; I13-L44 HydrophobicContact CG1-CD1 3.85Å; I13-L44 HydrophobicContact CG1-CG 3.87Å; I13-L44 HydrophobicContact CG2-CD1 3.78Å; I13-L44 HydrophobicContact CG2-CD2 3.78Å; I13-L44 HydrophobicContact CG2-CG 3.81Å
14D82.4Confident86.2Confident48 Ų4836.8 Ų36.826%0.25720%0.198SC..  trans-112.2170165.975.20.8000110.3K16 T17D14-K16 VanDerWaalsContact C-N 3.26Å; D14-K16 PolarHBondContact O-N 3.46Å; D14-K16 PolarHBondContact OD1-N 3.09Å; D14-T17 WeakPolarHBondContact OD1-CA 3.39Å; D14-T17 WeakPolarHBondContact OD1-CB 3.35Å; D14-T17 VanDerWaalsContact OD1-CG2 3.29Å; D14-T17 WeakPolarHBondContact OD1-CG2 3.49Å; D14-T17 PolarHBondContact OD1-N 3.34Å; D14-T17 PolarHBondContact OD1-OG1 2.94Å; D14-T17 WeakPolarHBondContact OD2-CG2 3.36Å
15D74Confident85.5Confident51 Ų5136.9 Ų36.927%0.27320%0.2SC..SBendtrans-80.4-6.2-17864.6-32.3000113.7N40D15-N40 PolarHBondContact O-ND2 3.46Å; D15-N40 VanDerWaalsContact O-ND2 3.12Å
16K75.6Confident84.7Confident157 Ų15740.9 Ų40.968%0.68322%0.217SC*.SBendtrans-110-20.2-172.3-66.5-175.1-174.9-174.60114D14D14-K16 VanDerWaalsContact C-N 3.26Å; D14-K16 PolarHBondContact O-N 3.46Å; D14-K16 PolarHBondContact OD1-N 3.09Å
17T79.5Confident84.5Confident46 Ų4637.9 Ų37.928%0.28220%0.204SC..  trans-111.5152.5-175.471.60000112D14 S19D14-T17 WeakPolarHBondContact OD1-CA 3.39Å; D14-T17 WeakPolarHBondContact OD1-CB 3.35Å; D14-T17 VanDerWaalsContact OD1-CG2 3.29Å; D14-T17 WeakPolarHBondContact OD1-CG2 3.49Å; D14-T17 PolarHBondContact OD1-N 3.34Å; D14-T17 PolarHBondContact OD1-OG1 2.94Å; D14-T17 WeakPolarHBondContact OD2-CG2 3.36Å; T17-S19 VanDerWaalsContact C-N 3.29Å; T17-S19 PolarHBondContact OG1-O 3.4Å; T17-S19 PolarHBondContact OG1-OG 3.26Å
18S85.4Confident84.3Confident43 Ų4344.8 Ų44.830%0.30123%0.233SC..SBendtrans-96.625.8172.166.70000111.7T35 V37S18-T35 PolarHBondContact O-N 3.46Å; S18-T35 PolarHBondContact O-OG1 2.86Å; S18-V37 WeakPolarHBondContact CB-O 3.3Å
19S90.3Very high84.3Confident9 Ų949.1 Ų49.16%0.06325%0.249CC..EExtended strand (participates in β ladder)trans-126145.7-176.946.70000111T17 I33T17-S19 VanDerWaalsContact C-N 3.29Å; T17-S19 PolarHBondContact OG1-O 3.4Å; T17-S19 PolarHBondContact OG1-OG 3.26Å; S19-I33 WeakPolarHBondContact CA-O 3.37Å
20V92.2Very high84.2Confident0 Ų054 Ų540%027%0.274CS..EExtended strand (participates in β ladder)trans-95.1129.7170.4-176.80000108.1A11 I13 L22 Q32 I33 T35 L41 L44 L53 I55A11-V20 HydrophobicContact CB-CG1 3.97Å; I13-V20 HydrophobicContact CG2-CB 4.34Å; I13-V20 HydrophobicContact CG2-CG1 4.39Å; I13-V20 HydrophobicContact CG2-CG2 3.81Å; V20-L22 HydrophobicContact CG1-CD2 4.34Å; V20-Q32 CarbonylContact O-C 3.56Å; V20-Q32 WeakPolarHBondContact O-CA 3.36Å; V20-I33 HydrophobicContact CB-CB 4.31Å; V20-I33 PolarHBondContact N-O 2.91Å; V20-I33 PolarHBondContact O-N 2.96Å; V20-T35 HydrophobicContact CG2-CG2 4.03Å; V20-L41 HydrophobicContact CG2-CD1 3.79Å; V20-L44 HydrophobicContact CG1-CD1 4.26Å; V20-L44 HydrophobicContact CG1-CD2 4.07Å; V20-L44 HydrophobicContact CG2-CD2 3.84Å; V20-L53 HydrophobicContact CG1-CD2 4.14Å; V20-I55 HydrophobicContact CG2-CD1 3.59Å; V20-I55 HydrophobicContact CG2-CG1 4.12Å; V20-I55 HydrophobicContact CG2-CG2 4.29Å
21T92.2Very high84.1Confident38 Ų3857 Ų5723%0.23330%0.295CS..EExtended strand (participates in β ladder)trans-90128.7170-56.40000108.3A11 I12 I30 S31A11-T21 CarbonylContact C-O 3.54Å; A11-T21 WeakPolarHBondContact CA-O 3.34Å; I12-T21 PolarHBondContact N-O 2.68Å; I12-T21 PolarHBondContact O-N 3.06Å; T21-I30 HydrophobicContact CG2-CG2 3.44Å; T21-I30 VanDerWaalsContact CG2-CG2 3.44Å; T21-S31 CarbonylContact C-O 3.59Å; T21-S31 WeakPolarHBondContact CA-O 3.43Å
22L92Very high83.9Confident2 Ų262.6 Ų62.61%0.0132%0.321CS..EExtended strand (participates in β ladder)trans-106.3133169.9-66.3-174.5000109.2L10 A11 V20 I30 S31 I33 W46L10-L22 WeakPolarHBondContact O-CA 3.22Å; A11-L22 HydrophobicContact CB-CD2 3.55Å; V20-L22 HydrophobicContact CG1-CD2 4.34Å; L22-I30 CarbonylContact O-C 3.53Å; L22-I30 WeakPolarHBondContact O-CA 3.31Å; L22-S31 PolarHBondContact N-O 3.12Å; L22-S31 PolarHBondContact O-N 3.47Å; L22-I33 HydrophobicContact CD1-CD1 3.37Å; L22-I33 HydrophobicContact CD1-CG1 4.1Å; L22-I33 HydrophobicContact CD2-CD1 4.18Å; L22-I33 HydrophobicContact CG-CD1 3.66Å; L22-I33 HydrophobicContact CG-CG1 4.28Å; L22-W46 HydrophobicContact CD2-CZ2 3.9Å
23W91.4Very high83.7Confident27 Ų2761.9 Ų61.910%0.10232%0.318CS..EExtended strand (participates in β ladder)trans-113.9126169.6174.177.5000108.9W3 N9 L10 F28 V305W3-W23 HydrophobicContact CH2-CE3 4.27Å; W3-W23 AromaticContact CH2-CZ3 3.57Å; W3-W23 HydrophobicContact CH2-CZ3 3.57Å; W3-W23 HydrophobicContact CZ2-CZ3 4.42Å; W3-W23 HydrophobicContact CZ3-CE3 4.48Å; W3-W23 HydrophobicContact CZ3-CZ3 4.07Å; N9-W23 WeakPolarHBondContact CA-O 3.14Å; L10-W23 HydrophobicContact CB-CE3 3.88Å; L10-W23 HydrophobicContact CD2-CE3 4.39Å; L10-W23 PolarHBondContact N-O 3.46Å; L10-W23 PolarHBondContact O-N 3.41Å; W23-F28 AromaticContact CZ2-CD1 3.75Å; W23-F28 HydrophobicContact CZ2-CD1 3.75Å; W23-F28 HydrophobicContact CZ2-CE1 4.04Å; W23-V305 HydrophobicContact CH2-CB 4.36Å; W23-V305 HydrophobicContact CH2-CG1 3.79Å; W23-V305 HydrophobicContact CH2-CG2 4.03Å; W23-V305 HydrophobicContact CZ2-CG2 4.36Å; W23-V305 HydrophobicContact CZ3-CG1 4.27Å; W23-V305 HydrophobicContact CZ3-CG2 4.28Å
24D83.3Confident83.6Confident46 Ų4666.2 Ų66.225%0.24634%0.337CS..EExtended strand (participates in β ladder)trans-90.8123.1176.7175.8-35.3000108.8D8 I26 S27 F28 K29D8-D24 CarbonylContact O-C 3.57Å; D8-D24 WeakPolarHBondContact O-CA 3.44Å; D24-I26 PolarHBondContact OD1-N 3.21Å; D24-S27 WeakPolarHBondContact CB-OG 3.37Å; D24-S27 PolarHBondContact OD1-N 2.98Å; D24-S27 PolarHBondContact OD1-OG 3.3Å; D24-S27 PolarHBondContact OD2-OG 3.45Å; D24-F28 WeakPolarHBondContact O-CA 3.5Å; D24-F28 PolarHBondContact O-N 2.99Å; D24-K29 PolarHBondContact N-O 2.99Å
25S76Confident83.6Confident13 Ų1364 Ų649%0.09133%0.325CS..THydrogen-bonded Turntrans-74.2-25.9-174.364.30000113.6G7 D8G7-S25 PolarHBondContact O-OG 3.05Å; D8-S25 WeakPolarHBondContact CA-OG 3.26Å; D8-S25 PolarHBondContact O-N 3.07Å; D8-S25 PolarHBondContact O-OG 3.03Å; D8-S25 VanDerWaalsContact O-OG 3.11Å
26I68.1Low83.9Confident110 Ų11064.4 Ų64.456%0.56434%0.341SS*.THydrogen-bonded Turntrans-85.1-48.9-178.3-58.1172.6000109.6D24D24-I26 PolarHBondContact OD1-N 3.21Å
27S73.7Confident84.3Confident48 Ų4858.2 Ų58.234%0.33632%0.316SS..THydrogen-bonded Turntrans-93.4-7.6-17575.70000114.1D24 K29D24-S27 WeakPolarHBondContact CB-OG 3.37Å; D24-S27 PolarHBondContact OD1-N 2.98Å; D24-S27 PolarHBondContact OD1-OG 3.3Å; D24-S27 PolarHBondContact OD2-OG 3.45Å; S27-K29 PolarHBondContact O-N 2.99Å; S27-K29 WeakPolarHBondContact OG-CB 3.3Å; S27-K29 WeakPolarHBondContact OG-CG 3.35Å
28F76.3Confident84.4Confident150 Ų15067.2 Ų67.266%0.65835%0.345SS*.  trans56.414.6-173.2-56.9-79.4000114W23 D24W23-F28 AromaticContact CZ2-CD1 3.75Å; W23-F28 HydrophobicContact CZ2-CD1 3.75Å; W23-F28 HydrophobicContact CZ2-CE1 4.04Å; D24-F28 WeakPolarHBondContact O-CA 3.5Å; D24-F28 PolarHBondContact O-N 2.99Å
29K80.1Confident84.4Confident150 Ų15065.7 Ų65.765%0.65233%0.334SS*.  trans-79.1141.1-177.9-72.6179.4-178.3170.40110.8D24 S27D24-K29 PolarHBondContact N-O 2.99Å; S27-K29 PolarHBondContact O-N 2.99Å; S27-K29 WeakPolarHBondContact OG-CB 3.3Å; S27-K29 WeakPolarHBondContact OG-CG 3.35Å
30I88Confident84.3Confident124 Ų12469 Ų6964%0.63635%0.351SS*.EExtended strand (participates in β ladder)trans-106.2127.7174.5-59.1172.3000108.5T21 L22T21-I30 HydrophobicContact CG2-CG2 3.44Å; T21-I30 VanDerWaalsContact CG2-CG2 3.44Å; L22-I30 CarbonylContact O-C 3.53Å; L22-I30 WeakPolarHBondContact O-CA 3.31Å
31S90Very high84.3Confident63 Ų6369.3 Ų69.344%0.44135%0.352SS..EExtended strand (participates in β ladder)trans-128.4160.1175.566.50000111.4T21 L22T21-S31 CarbonylContact C-O 3.59Å; T21-S31 WeakPolarHBondContact CA-O 3.43Å; L22-S31 PolarHBondContact N-O 3.12Å; L22-S31 PolarHBondContact O-N 3.47Å
32Q88.8Confident84.2Confident118 Ų11869.5 Ų69.555%0.55135%0.353SS*.EExtended strand (participates in β ladder)trans-121.6133.6179.4-71.6-167.2-19.600111.7V20V20-Q32 CarbonylContact O-C 3.56Å; V20-Q32 WeakPolarHBondContact O-CA 3.36Å
33I88.5Confident84.2Confident19 Ų1970.2 Ų70.210%0.09736%0.358CS..EExtended strand (participates in β ladder)trans-105.5119.9172.9-58.8167.5000109.1S19 V20 L22 T35 Y65S19-I33 WeakPolarHBondContact CA-O 3.37Å; V20-I33 HydrophobicContact CB-CB 4.31Å; V20-I33 PolarHBondContact N-O 2.91Å; V20-I33 PolarHBondContact O-N 2.96Å; L22-I33 HydrophobicContact CD1-CD1 3.37Å; L22-I33 HydrophobicContact CD1-CG1 4.1Å; L22-I33 HydrophobicContact CD2-CD1 4.18Å; L22-I33 HydrophobicContact CG-CD1 3.66Å; L22-I33 HydrophobicContact CG-CG1 4.28Å; I33-T35 PolarHBondContact O-N 3.03Å; I33-Y65 HydrophobicContact CD1-CD1 3.74Å; I33-Y65 HydrophobicContact CD1-CE1 3.32Å; I33-Y65 HydrophobicContact CD1-CE2 4.38Å; I33-Y65 HydrophobicContact CD1-CG 4.4Å; I33-Y65 HydrophobicContact CG1-CE1 4.35Å; I33-Y65 HydrophobicContact CG2-CD2 4.24Å; I33-Y65 HydrophobicContact CG2-CE2 4.26Å
34H87.5Confident84.3Confident129 Ų12969.7 Ų69.760%0.59736%0.357SS*.EExtended strand (participates in β ladder)trans-84.9114.9174.9-67.1-58.9000112.2G36 K72H34-G36 VanDerWaalsContact C-N 3.28Å; H34-G36 PolarHBondContact O-N 2.89Å; H34-K72 PolarHBondContact O-NZ 3.42Å
35T83.8Confident84.8Confident0 Ų068.1 Ų68.10%035%0.35CS..  trans-78.5-12.517972.30000113.7S18 V20 I33 V37 L41 I55 I63 K72S18-T35 PolarHBondContact O-N 3.46Å; S18-T35 PolarHBondContact O-OG1 2.86Å; V20-T35 HydrophobicContact CG2-CG2 4.03Å; I33-T35 PolarHBondContact O-N 3.03Å; T35-V37 WeakPolarHBondContact O-CG2 3.41Å; T35-V37 PolarHBondContact O-N 3.48Å; T35-V37 PolarHBondContact OG1-O 3.19Å; T35-L41 HydrophobicContact CG2-CD1 3.62Å; T35-L41 HydrophobicContact CG2-CD2 3.92Å; T35-L41 HydrophobicContact CG2-CG 4.41Å; T35-I55 HydrophobicContact CG2-CD1 3.92Å; T35-I55 HydrophobicContact CG2-CG2 4.36Å; T35-I63 HydrophobicContact CG2-CD1 4.38Å; T35-K72 WeakPolarHBondContact O-CE 3.44Å; T35-K72 PolarHBondContact O-NZ 3.27Å
36G80.2Confident85.7Confident60 Ų6068 Ų6862%0.61935%0.347SS*.  trans-6.788.5-173.700000119.3H34H34-G36 VanDerWaalsContact C-N 3.28Å; H34-G36 PolarHBondContact O-N 2.89Å
37V82.2Confident86.8Confident27 Ų2762.8 Ų62.816%0.16432%0.321CS..SBendcis34113.9-4.6-145.90000119.8S18 T35 D39 T57 I63 L76S18-V37 WeakPolarHBondContact CB-O 3.3Å; T35-V37 WeakPolarHBondContact O-CG2 3.41Å; T35-V37 PolarHBondContact O-N 3.48Å; T35-V37 PolarHBondContact OG1-O 3.19Å; V37-D39 VanDerWaalsContact C-N 3.34Å; V37-D39 HydrophobicContact CG1-CB 3.74Å; V37-D39 VanDerWaalsContact CG1-CG 3.48Å; V37-D39 WeakPolarHBondContact CG1-OD2 3Å; V37-T57 HydrophobicContact CG1-CG2 4.37Å; V37-I63 HydrophobicContact CB-CD1 4.13Å; V37-I63 HydrophobicContact CG2-CD1 3.69Å; V37-I63 HydrophobicContact CG2-CG1 4.42Å; V37-L76 HydrophobicContact CG2-CD2 4.48Å
38R83Confident87.4Confident235 Ų23565 Ų6589%0.88733%0.325SS*.  trans-928.4174.3-67-173.8179-175.2-0.3113.2
39D85.6Confident87.8Confident12 Ų1262.5 Ų62.56%0.06432%0.321CS..SBendtrans-79151.2-179.7-57.6-27.3000109.6V37 L41 T57 K59 N61V37-D39 VanDerWaalsContact C-N 3.34Å; V37-D39 HydrophobicContact CG1-CB 3.74Å; V37-D39 VanDerWaalsContact CG1-CG 3.48Å; V37-D39 WeakPolarHBondContact CG1-OD2 3Å; D39-L41 PolarHBondContact O-N 2.95Å; D39-T57 HydrophobicContact CB-CG2 4.23Å; D39-T57 PolarHBondContact OD2-OG1 2.67Å; D39-K59 WeakPolarHBondContact OD1-CD 3.33Å; D39-K59 WeakPolarHBondContact OD1-CE 3.44Å; D39-K59 IonicContact OD1-NZ 2.72Å; D39-K59 PolarHBondContact OD1-NZ 3.1Å; D39-N61 PolarHBondContact OD2-ND2 2.97Å
40N88.7Confident87.9Confident78 Ų7856.6 Ų56.642%0.41730%0.302SS..PPolyproline II helixtrans-68.2135.2173.1-63.810.2000109D15 T57 S58D15-N40 PolarHBondContact O-ND2 3.46Å; D15-N40 VanDerWaalsContact O-ND2 3.12Å; N40-T57 WeakPolarHBondContact O-CA 3.21Å; N40-S58 PolarHBondContact O-N 3.04Å
41L91.6Very high87.9Confident7 Ų752.3 Ų52.34%0.03728%0.284CS..EExtended strand (participates in β ladder)trans-79.1140.7178.4-51.9-178000109.1I13 V20 T35 D39 I55 T57I13-L41 HydrophobicContact CB-CB 4.26Å; I13-L41 HydrophobicContact CD1-CB 4.05Å; I13-L41 HydrophobicContact CG2-CB 3.89Å; I13-L41 HydrophobicContact CG2-CD1 3.62Å; I13-L41 HydrophobicContact CG2-CG 4.41Å; V20-L41 HydrophobicContact CG2-CD1 3.79Å; T35-L41 HydrophobicContact CG2-CD1 3.62Å; T35-L41 HydrophobicContact CG2-CD2 3.92Å; T35-L41 HydrophobicContact CG2-CG 4.41Å; D39-L41 PolarHBondContact O-N 2.95Å; L41-I55 HydrophobicContact CB-CG2 4.34Å; L41-I55 HydrophobicContact CD1-CG2 4.07Å; L41-I55 HydrophobicContact CD2-CG2 3.83Å; L41-I55 HydrophobicContact CG-CG2 4.29Å; L41-T57 HydrophobicContact CD2-CG2 4.09Å
42T90.2Very high88Confident41 Ų4152.3 Ų52.325%0.25227%0.274SS..EExtended strand (participates in β ladder)trans-124.9-26.9-171.352.70000113.7G56 T57 R82 I83T42-G56 PolarHBondContact N-O 3.29Å; T42-G56 PolarHBondContact OG1-O 3.32Å; T42-T57 VanDerWaalsContact OG1-C 3.28Å; T42-T57 PolarHBondContact OG1-O 3.2Å; T42-R82 HydrophobicContact CG2-CG 3.94Å; T42-I83 WeakPolarHBondContact CB-O 3.24Å; T42-I83 PolarHBondContact OG1-O 2.9Å
43V91.6Very high88.3Confident18 Ų1846.7 Ų46.711%0.10925%0.248CC..EExtended strand (participates in β ladder)trans-148.5148.7177.265.40000111.7I55 G56 I83 A86V43-I55 WeakPolarHBondContact O-CA 3.2Å; V43-G56 PolarHBondContact O-N 3.36Å; V43-I83 HydrophobicContact CG1-CB 4.43Å; V43-I83 HydrophobicContact CG1-CG2 3.78Å; V43-A86 HydrophobicContact CG1-CB 3.95Å; V43-A86 HydrophobicContact CG2-CB 3.96Å
44L92.9Very high88.6Confident15 Ų1545.8 Ų45.88%0.07924%0.243CC..EExtended strand (participates in β ladder)trans-124.3141.9171.8-67.4174.4000109.5A11 I13 V20 L53 A54 I55A11-L44 HydrophobicContact CB-CD1 3.9Å; A11-L44 WeakPolarHBondContact O-CD1 3.33Å; I13-L44 HydrophobicContact CB-CD1 4.21Å; I13-L44 HydrophobicContact CB-CG 4.4Å; I13-L44 HydrophobicContact CD1-CG 3.98Å; I13-L44 HydrophobicContact CG1-CD1 3.85Å; I13-L44 HydrophobicContact CG1-CG 3.87Å; I13-L44 HydrophobicContact CG2-CD1 3.78Å; I13-L44 HydrophobicContact CG2-CD2 3.78Å; I13-L44 HydrophobicContact CG2-CG 3.81Å; V20-L44 HydrophobicContact CG1-CD1 4.26Å; V20-L44 HydrophobicContact CG1-CD2 4.07Å; V20-L44 HydrophobicContact CG2-CD2 3.84Å; L44-L53 HydrophobicContact CB-CD1 4.37Å; L44-L53 HydrophobicContact CD2-CD1 4.22Å; L44-L53 HydrophobicContact CD2-CD2 4.33Å; L44-L53 HydrophobicContact CD2-CG 4.48Å; L44-A54 CarbonylContact C-O 3.48Å; L44-A54 WeakPolarHBondContact CA-O 3.42Å; L44-I55 HydrophobicContact CD2-CB 4.3Å; L44-I55 HydrophobicContact CD2-CG1 3.79Å; L44-I55 HydrophobicContact CD2-CG2 4.04Å
45S93.9Very high88.9Confident14 Ų1439.7 Ų39.710%0.09822%0.215CC..EExtended strand (participates in β ladder)trans-153.1117.8169.6-165.30000110.5A54 A86 W88S45-A54 PolarHBondContact N-O 2.87Å; S45-A54 PolarHBondContact O-N 3.45Å; S45-A86 WeakPolarHBondContact CB-O 3.44Å; S45-A86 PolarHBondContact OG-O 3.25Å; S45-W88 PolarHBondContact O-NE1 2.95Å
46W94.3Very high89.4Confident9 Ų939.7 Ų39.73%0.03422%0.215CC..EExtended strand (participates in β ladder)trans-78.1149170.4-77.3106000111.5S2 W3 D4 A11 L22 R52 L53 H67S2-W46 PolarHBondContact O-NE1 3.39Å; S2-W46 PolarHBondContact OG-N 2.88Å; S2-W46 VanDerWaalsContact OG-N 3.07Å; W3-W46 WeakPolarHBondContact O-CB 3.48Å; D4-W46 HydrophobicContact CB-CD2 3.87Å; D4-W46 HydrophobicContact CB-CE3 4.09Å; D4-W46 HydrophobicContact CB-CG 4.19Å; D4-W46 HydrophobicContact CB-CZ2 4.42Å; D4-W46 HydrophobicContact CB-CZ3 4.47Å; A11-W46 HydrophobicContact CB-CZ2 4.42Å; L22-W46 HydrophobicContact CD2-CZ2 3.9Å; W46-R52 CarbonylContact C-O 3.54Å; W46-R52 WeakPolarHBondContact CA-O 3.21Å; W46-R52 VanDerWaalsContact CE3-C 3.47Å; W46-L53 HydrophobicContact CD2-CB 3.85Å; W46-L53 HydrophobicContact CD2-CD1 3.84Å; W46-L53 HydrophobicContact CD2-CG 4.33Å; W46-L53 HydrophobicContact CE3-CB 3.72Å; W46-L53 HydrophobicContact CG-CD1 3.82Å; W46-L53 HydrophobicContact CH2-CB 3.98Å; W46-L53 HydrophobicContact CZ2-CB 4.12Å; W46-L53 HydrophobicContact CZ2-CD2 4.05Å; W46-L53 HydrophobicContact CZ2-CG 4.46Å; W46-L53 HydrophobicContact CZ3-CB 3.78Å; W46-H67 HydrophobicContact CH2-CB 3.75Å; W46-H67 HydrophobicContact CZ3-CB 3.93Å
47S92.5Very high90Very high1 Ų136.9 Ų36.91%0.00719%0.186CC..  trans-65.9140170.1169.90000110.6V49 G50 R52 N92S47-V49 PolarHBondContact O-N 3.33Å; S47-V49 PolarHBondContact OG-N 3.48Å; S47-G50 WeakPolarHBondContact CB-O 3.33Å; S47-G50 PolarHBondContact OG-N 3.25Å; S47-R52 PolarHBondContact N-O 2.96Å; S47-N92 WeakPolarHBondContact CB-OD1 3.42Å; S47-N92 PolarHBondContact OG-OD1 3.28Å
48K86.5Confident90.4Very high96 Ų9637.3 Ų37.342%0.41719%0.19SC..SBendtrans-74.8-9.8179.3-64.8-172.9177174.90113.9W88 D126K48-W88 WeakPolarHBondContact CD-O 3.29Å; K48-W88 WeakPolarHBondContact CE-O 3.29Å; K48-D126 IonicContact NZ-OD1 2.7Å
49V84.9Confident90.8Very high97 Ų9732.5 Ų32.559%0.58818%0.176SC*.SBendtrans-129.8-19.4-172.8-176.60000113S47 R90S47-V49 PolarHBondContact O-N 3.33Å; S47-V49 PolarHBondContact OG-N 3.48Å; V49-R90 WeakPolarHBondContact CG2-O 3.17Å
50G81.4Confident91.1Very high25 Ų2532 Ų3226%0.25817%0.173SC..SBendtrans-141.3172.4-177.100000112.9S47 R52S47-G50 WeakPolarHBondContact CB-O 3.33Å; S47-G50 PolarHBondContact OG-N 3.25Å; G50-R52 PolarHBondContact O-N 2.96Å
51S87.7Confident91.4Very high35 Ų3529 Ų2925%0.24516%0.157CC..SBendtrans-80.939.8-176.556.40000113.8H67 K68S51-H67 PolarHBondContact O-N 3.11Å; S51-K68 VanDerWaalsContact OG-CB 3.23Å; S51-K68 WeakPolarHBondContact OG-CB 3.12Å
52R92.9Very high91.5Very high63 Ų6328.7 Ų28.724%0.23816%0.155CC..EExtended strand (participates in β ladder)trans-104.9131.5178.6-64-173.5-174.2-1686.8111.1W46 S47 G50 Y65 N66 S108W46-R52 CarbonylContact C-O 3.54Å; W46-R52 WeakPolarHBondContact CA-O 3.21Å; W46-R52 VanDerWaalsContact CE3-C 3.47Å; S47-R52 PolarHBondContact N-O 2.96Å; G50-R52 PolarHBondContact O-N 2.96Å; R52-Y65 CarbonylContact C-O 3.53Å; R52-Y65 VanDerWaalsContact CA-O 3.32Å; R52-Y65 WeakPolarHBondContact CA-O 3.4Å; R52-N66 HydrophobicContact CG-CB 4.44Å; R52-S108 VanDerWaalsContact NH1-C 3.33Å; R52-S108 PolarHBondContact NH1-O 3.2Å; R52-S108 PolarHBondContact NH1-OG 3.46Å
53L94.4Very high91.7Very high0 Ų026.8 Ų26.80%014%0.143CC..EExtended strand (participates in β ladder)trans-112.5124.1175177.961.2000110.1A11 V20 L44 W46 I55 I64 Y65A11-L53 HydrophobicContact CB-CD1 4.27Å; A11-L53 HydrophobicContact CB-CD2 4Å; V20-L53 HydrophobicContact CG1-CD2 4.14Å; L44-L53 HydrophobicContact CB-CD1 4.37Å; L44-L53 HydrophobicContact CD2-CD1 4.22Å; L44-L53 HydrophobicContact CD2-CD2 4.33Å; L44-L53 HydrophobicContact CD2-CG 4.48Å; W46-L53 HydrophobicContact CD2-CB 3.85Å; W46-L53 HydrophobicContact CD2-CD1 3.84Å; W46-L53 HydrophobicContact CD2-CG 4.33Å; W46-L53 HydrophobicContact CE3-CB 3.72Å; W46-L53 HydrophobicContact CG-CD1 3.82Å; W46-L53 HydrophobicContact CH2-CB 3.98Å; W46-L53 HydrophobicContact CZ2-CB 4.12Å; W46-L53 HydrophobicContact CZ2-CD2 4.05Å; W46-L53 HydrophobicContact CZ2-CG 4.46Å; W46-L53 HydrophobicContact CZ3-CB 3.78Å; L53-I55 HydrophobicContact CD2-CD1 4.33Å; L53-I55 HydrophobicContact CD2-CG1 4.24Å; L53-I55 HydrophobicContact CG-CG1 4.01Å; L53-I64 WeakPolarHBondContact O-CA 3.27Å; L53-Y65 HydrophobicContact CB-CD1 4.28Å; L53-Y65 PolarHBondContact N-O 3.07Å; L53-Y65 PolarHBondContact O-N 3.23Å
54A95Very high91.8Very high0 Ų026.3 Ų26.30%014%0.14CC..EExtended strand (participates in β ladder)trans-94.4135.9170.800000110.9L44 S45 L62 I63 W88 I94L44-A54 CarbonylContact C-O 3.48Å; L44-A54 WeakPolarHBondContact CA-O 3.42Å; S45-A54 PolarHBondContact N-O 2.87Å; S45-A54 PolarHBondContact O-N 3.45Å; A54-L62 HydrophobicContact CB-CD1 4.12Å; A54-I63 CarbonylContact C-O 3.52Å; A54-I63 WeakPolarHBondContact CA-O 3.4Å; A54-W88 HydrophobicContact CB-CZ2 4.02Å; A54-I94 HydrophobicContact CB-CD1 3.24Å
55I94.7Very high91.8Very high1 Ų126.5 Ų26.51%0.00514%0.14CC..EExtended strand (participates in β ladder)trans-131.8116.9-176.7-47.2162.9000108.2V20 T35 L41 V43 L44 L53 I63V20-I55 HydrophobicContact CG2-CD1 3.59Å; V20-I55 HydrophobicContact CG2-CG1 4.12Å; V20-I55 HydrophobicContact CG2-CG2 4.29Å; T35-I55 HydrophobicContact CG2-CD1 3.92Å; T35-I55 HydrophobicContact CG2-CG2 4.36Å; L41-I55 HydrophobicContact CB-CG2 4.34Å; L41-I55 HydrophobicContact CD1-CG2 4.07Å; L41-I55 HydrophobicContact CD2-CG2 3.83Å; L41-I55 HydrophobicContact CG-CG2 4.29Å; V43-I55 WeakPolarHBondContact O-CA 3.2Å; L44-I55 HydrophobicContact CD2-CB 4.3Å; L44-I55 HydrophobicContact CD2-CG1 3.79Å; L44-I55 HydrophobicContact CD2-CG2 4.04Å; L53-I55 HydrophobicContact CD2-CD1 4.33Å; L53-I55 HydrophobicContact CD2-CG1 4.24Å; L53-I55 HydrophobicContact CG-CG1 4.01Å; I55-I63 HydrophobicContact CB-CB 4.21Å; I55-I63 HydrophobicContact CD1-CG2 4.44Å; I55-I63 PolarHBondContact N-O 3.04Å; I55-I63 PolarHBondContact O-N 3.15Å
56G93.2Very high91.7Very high0 Ų027.4 Ų27.40%014%0.144CC..EExtended strand (participates in β ladder)trans-95.7153175.200000112.3T42 V43 N61T42-G56 PolarHBondContact N-O 3.29Å; T42-G56 PolarHBondContact OG1-O 3.32Å; V43-G56 PolarHBondContact O-N 3.36Å; G56-N61 WeakPolarHBondContact CA-O 3.24Å
57T93Very high91.5Very high0 Ų029.6 Ų29.60%015%0.154CC..EExtended strand (participates in β ladder)trans-119.5164178.883.20000113.9V37 D39 N40 L41 T42 K59 G60 N61 I63 I83V37-T57 HydrophobicContact CG1-CG2 4.37Å; D39-T57 HydrophobicContact CB-CG2 4.23Å; D39-T57 PolarHBondContact OD2-OG1 2.67Å; N40-T57 WeakPolarHBondContact O-CA 3.21Å; L41-T57 HydrophobicContact CD2-CG2 4.09Å; T42-T57 VanDerWaalsContact OG1-C 3.28Å; T42-T57 PolarHBondContact OG1-O 3.2Å; T57-K59 PolarHBondContact O-N 2.92Å; T57-K59 VanDerWaalsContact O-N 3.11Å; T57-K59 PolarHBondContact OG1-N 2.86Å; T57-G60 PolarHBondContact O-N 2.83Å; T57-G60 VanDerWaalsContact O-N 3.13Å; T57-N61 HydrophobicContact CG2-CB 3.99Å; T57-N61 PolarHBondContact N-O 3.1Å; T57-N61 WeakPolarHBondContact OG1-CB 3.31Å; T57-N61 PolarHBondContact OG1-N 3.17Å; T57-I63 HydrophobicContact CG2-CD1 4.36Å; T57-I83 PolarHBondContact O-N 3.42Å
58S91.3Very high91.1Very high37 Ų3738.2 Ų38.226%0.25919%0.192SC..THydrogen-bonded Turntrans-63.3-14.1176.168.40000114.6N40 R82N40-S58 PolarHBondContact O-N 3.04Å; S58-R82 WeakPolarHBondContact O-CA 3.47Å; S58-R82 PolarHBondContact O-N 3Å
59K91Very high91.2Very high134 Ų13438 Ų3858%0.58320%0.195SC*.THydrogen-bonded Turntrans-105.89.4177.5-65.4-166-172142.90113.9D39 T57D39-K59 WeakPolarHBondContact OD1-CD 3.33Å; D39-K59 WeakPolarHBondContact OD1-CE 3.44Å; D39-K59 IonicContact OD1-NZ 2.72Å; D39-K59 PolarHBondContact OD1-NZ 3.1Å; T57-K59 PolarHBondContact O-N 2.92Å; T57-K59 VanDerWaalsContact O-N 3.11Å; T57-K59 PolarHBondContact OG1-N 2.86Å
60G92.2Very high91.3Very high0 Ų039.3 Ų39.30%020%0.198CC..SBendtrans85.616.6177.300000114.9T57 K78 H79 R81T57-G60 PolarHBondContact O-N 2.83Å; T57-G60 VanDerWaalsContact O-N 3.13Å; G60-K78 PolarHBondContact O-N 3.42Å; G60-H79 WeakPolarHBondContact CA-O 3.32Å; G60-H79 PolarHBondContact O-N 2.65Å; G60-R81 WeakPolarHBondContact CA-O 3.49Å; G60-R81 PolarHBondContact N-O 3.08Å
61N94.2Very high91.7Very high16 Ų1644.6 Ų44.69%0.08621%0.214CC..  trans-88.7141.1176.3-57.8-39.2000110D39 G56 T57 L76 G77 I83D39-N61 PolarHBondContact OD2-ND2 2.97Å; G56-N61 WeakPolarHBondContact CA-O 3.24Å; T57-N61 HydrophobicContact CG2-CB 3.99Å; T57-N61 PolarHBondContact N-O 3.1Å; T57-N61 WeakPolarHBondContact OG1-CB 3.31Å; T57-N61 PolarHBondContact OG1-N 3.17Å; N61-L76 HydrophobicContact CB-CD2 4.11Å; N61-L76 VanDerWaalsContact OD1-CA 3.22Å; N61-L76 WeakPolarHBondContact OD1-CA 3.22Å; N61-G77 PolarHBondContact OD1-N 3.16Å; N61-I83 WeakPolarHBondContact O-CD1 3.43Å
62L94.2Very high91.8Very high0 Ų046.5 Ų46.50%022%0.218CC..EExtended strand (participates in β ladder)trans-111133172.6174.467.1000109.3A54 I64 L75 K78 I83 I94 L96A54-L62 HydrophobicContact CB-CD1 4.12Å; L62-I64 HydrophobicContact CD2-CD1 4.32Å; L62-I64 HydrophobicContact CD2-CG1 4.31Å; L62-I64 HydrophobicContact CG-CG1 4.29Å; L62-L75 HydrophobicContact CB-CB 4.37Å; L62-L75 HydrophobicContact CD2-CD1 4.03Å; L62-L75 HydrophobicContact CG-CD1 4.47Å; L62-L75 PolarHBondContact N-O 3.09Å; L62-L75 WeakPolarHBondContact O-CA 3.34Å; L62-L75 WeakPolarHBondContact O-CB 3.44Å; L62-L75 PolarHBondContact O-N 3Å; L62-K78 HydrophobicContact CB-CB 4.4Å; L62-I83 HydrophobicContact CB-CD1 4.27Å; L62-I94 HydrophobicContact CD1-CD1 4.44Å; L62-L96 HydrophobicContact CD1-CD2 4.09Å; L62-L96 HydrophobicContact CD2-CD1 3.87Å
63I94Very high91.7Very high1 Ų146.2 Ų46.21%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-122.3125.8176.6-54.7168.8000107.7T35 V37 A54 I55 T57 K72 T73T35-I63 HydrophobicContact CG2-CD1 4.38Å; V37-I63 HydrophobicContact CB-CD1 4.13Å; V37-I63 HydrophobicContact CG2-CD1 3.69Å; V37-I63 HydrophobicContact CG2-CG1 4.42Å; A54-I63 CarbonylContact C-O 3.52Å; A54-I63 WeakPolarHBondContact CA-O 3.4Å; I55-I63 HydrophobicContact CB-CB 4.21Å; I55-I63 HydrophobicContact CD1-CG2 4.44Å; I55-I63 PolarHBondContact N-O 3.04Å; I55-I63 PolarHBondContact O-N 3.15Å; T57-I63 HydrophobicContact CG2-CD1 4.36Å; I63-K72 HydrophobicContact CG2-CD 3.99Å; I63-K72 HydrophobicContact CG2-CG 3.65Å; I63-T73 CarbonylContact C-O 3.48Å; I63-T73 WeakPolarHBondContact CA-O 3.43Å
64I93.9Very high91.5Very high8 Ų848.8 Ų48.84%0.04124%0.241CC..EExtended strand (participates in β ladder)trans-108.1117.1175.6-56.9179.9000107.7L53 L62 K72 T73 L75 S108L53-I64 WeakPolarHBondContact O-CA 3.27Å; L62-I64 HydrophobicContact CD2-CD1 4.32Å; L62-I64 HydrophobicContact CD2-CG1 4.31Å; L62-I64 HydrophobicContact CG-CG1 4.29Å; I64-K72 WeakPolarHBondContact O-CA 3.49Å; I64-T73 PolarHBondContact N-O 3.08Å; I64-T73 PolarHBondContact O-N 3.06Å; I64-L75 HydrophobicContact CD1-CD1 4.4Å; I64-S108 WeakPolarHBondContact CD1-O 3.46Å
65Y93.1Very high91.3Very high19 Ų1951 Ų518%0.07525%0.253CS..EExtended strand (participates in β ladder)trans-108127.3177.2171.5-104.2000109.5I33 R52 L53 H67 L70 K72I33-Y65 HydrophobicContact CD1-CD1 3.74Å; I33-Y65 HydrophobicContact CD1-CE1 3.32Å; I33-Y65 HydrophobicContact CD1-CE2 4.38Å; I33-Y65 HydrophobicContact CD1-CG 4.4Å; I33-Y65 HydrophobicContact CG1-CE1 4.35Å; I33-Y65 HydrophobicContact CG2-CD2 4.24Å; I33-Y65 HydrophobicContact CG2-CE2 4.26Å; R52-Y65 CarbonylContact C-O 3.53Å; R52-Y65 VanDerWaalsContact CA-O 3.32Å; R52-Y65 WeakPolarHBondContact CA-O 3.4Å; L53-Y65 HydrophobicContact CB-CD1 4.28Å; L53-Y65 PolarHBondContact N-O 3.07Å; L53-Y65 PolarHBondContact O-N 3.23Å; Y65-H67 HydrophobicContact CD1-CB 4.41Å; Y65-H67 HydrophobicContact CE1-CB 3.76Å; Y65-H67 AromaticContact CE1-ND1 3.64Å; Y65-H67 AromaticContact CZ-ND1 3.96Å; Y65-H67 PolarHBondContact OH-ND1 2.57Å; Y65-L70 WeakPolarHBondContact OH-CD2 3.46Å; Y65-K72 HydrophobicContact CD2-CB 4.46Å
66N91.5Very high91Very high33 Ų3357 Ų5718%0.17628%0.284CS..EExtended strand (participates in β ladder)trans-102.2112.7174179.8-24.9000108.4R52 K68 N69 L70 K71R52-N66 HydrophobicContact CG-CB 4.44Å; N66-K68 PolarHBondContact OD1-N 3.16Å; N66-K68 VanDerWaalsContact OD1-N 3.1Å; N66-N69 WeakPolarHBondContact CB-OD1 3.33Å; N66-N69 PolarHBondContact ND2-OD1 3.23Å; N66-N69 PolarHBondContact O-OD1 3.39Å; N66-N69 PolarHBondContact OD1-OD1 3.3Å; N66-L70 CarbonylContact O-C 3.52Å; N66-L70 WeakPolarHBondContact O-CA 3.27Å; N66-L70 PolarHBondContact O-N 3.05Å; N66-K71 PolarHBondContact N-O 3.42Å; N66-K71 PolarHBondContact O-N 3.34Å
67H89.1Confident90.7Very high55 Ų5559.6 Ų59.626%0.25531%0.311SS..THydrogen-bonded Turntrans-71.3-33.7-174.2-171.757.1000112.5W46 S51 Y65 N69 L70W46-H67 HydrophobicContact CH2-CB 3.75Å; W46-H67 HydrophobicContact CZ3-CB 3.93Å; S51-H67 PolarHBondContact O-N 3.11Å; Y65-H67 HydrophobicContact CD1-CB 4.41Å; Y65-H67 HydrophobicContact CE1-CB 3.76Å; Y65-H67 AromaticContact CE1-ND1 3.64Å; Y65-H67 AromaticContact CZ-ND1 3.96Å; Y65-H67 PolarHBondContact OH-ND1 2.57Å; H67-N69 VanDerWaalsContact C-N 3.33Å; H67-N69 PolarHBondContact O-N 3.16Å; H67-L70 WeakPolarHBondContact O-CD2 3.43Å
68K84.3Confident90.6Very high183 Ų18362 Ų6280%0.79632%0.322SS*.THydrogen-bonded Turntrans-64.5-34.7-179-178.5171.7-173.71700113.4S51 N66S51-K68 VanDerWaalsContact OG-CB 3.23Å; S51-K68 WeakPolarHBondContact OG-CB 3.12Å; N66-K68 PolarHBondContact OD1-N 3.16Å; N66-K68 VanDerWaalsContact OD1-N 3.1Å
69N89.6Confident90.7Very high92 Ų9260.6 Ų60.649%0.49231%0.311SS..THydrogen-bonded Turntrans-118.38.4179.967.16.4000113.7N66 H67 K71N66-N69 WeakPolarHBondContact CB-OD1 3.33Å; N66-N69 PolarHBondContact ND2-OD1 3.23Å; N66-N69 PolarHBondContact O-OD1 3.39Å; N66-N69 PolarHBondContact OD1-OD1 3.3Å; H67-N69 VanDerWaalsContact C-N 3.33Å; H67-N69 PolarHBondContact O-N 3.16Å; N69-K71 PolarHBondContact O-N 3.35Å; N69-K71 WeakPolarHBondContact OD1-CB 3.1Å; N69-K71 PolarHBondContact OD1-N 2.97Å; N69-K71 VanDerWaalsContact OD1-N 3.1Å
70L87.3Confident90.7Very high124 Ų12459.9 Ų59.965%0.64932%0.318SS*.THydrogen-bonded Turntrans55.318.8-178.6-50.6174.8000114.4Y65 N66 H67Y65-L70 WeakPolarHBondContact OH-CD2 3.46Å; N66-L70 CarbonylContact O-C 3.52Å; N66-L70 WeakPolarHBondContact O-CA 3.27Å; N66-L70 PolarHBondContact O-N 3.05Å; H67-L70 WeakPolarHBondContact O-CD2 3.43Å
71K89.5Confident90.8Very high135 Ų13567 Ų6759%0.58735%0.345SS*.EExtended strand (participates in β ladder)trans-81.8138.5-178.5-173.3-179.8176.5-176.30110.7N66 N69N66-K71 PolarHBondContact N-O 3.42Å; N66-K71 PolarHBondContact O-N 3.34Å; N69-K71 PolarHBondContact O-N 3.35Å; N69-K71 WeakPolarHBondContact OD1-CB 3.1Å; N69-K71 PolarHBondContact OD1-N 2.97Å; N69-K71 VanDerWaalsContact OD1-N 3.1Å
72K89.4Confident90.7Very high75 Ų7570.6 Ų70.633%0.32636%0.357SS..EExtended strand (participates in β ladder)trans-121.9128.1177.2175.6177151.1-147.70111.5H34 T35 I63 I64 Y65 S74H34-K72 PolarHBondContact O-NZ 3.42Å; T35-K72 WeakPolarHBondContact O-CE 3.44Å; T35-K72 PolarHBondContact O-NZ 3.27Å; I63-K72 HydrophobicContact CG2-CD 3.99Å; I63-K72 HydrophobicContact CG2-CG 3.65Å; I64-K72 WeakPolarHBondContact O-CA 3.49Å; Y65-K72 HydrophobicContact CD2-CB 4.46Å; K72-S74 WeakPolarHBondContact CE-OG 3.12Å
73T90.7Very high90.8Very high58 Ų5870.6 Ų70.636%0.35636%0.357SS..EExtended strand (participates in β ladder)trans-113.5121.5175-54.90000108.7I63 I64 L75I63-T73 CarbonylContact C-O 3.48Å; I63-T73 WeakPolarHBondContact CA-O 3.43Å; I64-T73 PolarHBondContact N-O 3.08Å; I64-T73 PolarHBondContact O-N 3.06Å; T73-L75 HydrophobicContact CG2-CD2 4.44Å
74S90Very high90.7Very high53 Ų5372.1 Ų72.137%0.37137%0.366SS..EExtended strand (participates in β ladder)trans-110.4118.9-179-54.80000110.3K72K72-S74 WeakPolarHBondContact CE-OG 3.12Å
75L91.3Very high90.6Very high48 Ų4872 Ų7225%0.25137%0.366SS..EExtended strand (participates in β ladder)trans-107.499.8-179.4-59.4166.6000108.4L62 I64 T73 E109L62-L75 HydrophobicContact CB-CB 4.37Å; L62-L75 HydrophobicContact CD2-CD1 4.03Å; L62-L75 HydrophobicContact CG-CD1 4.47Å; L62-L75 PolarHBondContact N-O 3.09Å; L62-L75 WeakPolarHBondContact O-CA 3.34Å; L62-L75 WeakPolarHBondContact O-CB 3.44Å; L62-L75 PolarHBondContact O-N 3Å; I64-L75 HydrophobicContact CD1-CD1 4.4Å; T73-L75 HydrophobicContact CG2-CD2 4.44Å; L75-E109 WeakPolarHBondContact CD1-O 3.32Å
76L88.8Confident90.7Very high125 Ų12571.7 Ų71.765%0.65437%0.368SS*.THydrogen-bonded Turntrans-81.9139.3-176.6-60.1174.9000111V37 N61 K78V37-L76 HydrophobicContact CG2-CD2 4.48Å; N61-L76 HydrophobicContact CB-CD2 4.11Å; N61-L76 VanDerWaalsContact OD1-CA 3.22Å; N61-L76 WeakPolarHBondContact OD1-CA 3.22Å; L76-K78 PolarHBondContact O-N 2.74Å
77G86.9Confident90.8Very high56 Ų5670.4 Ų70.458%0.57736%0.362SS*.THydrogen-bonded Turntrans68.828.7174.800000114.7N61 H79N61-G77 PolarHBondContact OD1-N 3.16Å; G77-H79 VanDerWaalsContact C-N 3.28Å; G77-H79 PolarHBondContact O-N 3.16Å
78K90.4Very high91Very high51 Ų5167.9 Ų67.922%0.22235%0.35CS..SBendtrans-62.7-38.1178.3-17365.3-179.4-1710112G60 L62 L76 L96 N106 G110G60-K78 PolarHBondContact O-N 3.42Å; L62-K78 HydrophobicContact CB-CB 4.4Å; L76-K78 PolarHBondContact O-N 2.74Å; K78-L96 HydrophobicContact CG-CD1 4.08Å; K78-N106 WeakPolarHBondContact CE-OD1 3.42Å; K78-N106 PolarHBondContact NZ-OD1 3.44Å; K78-G110 PolarHBondContact NZ-O 2.85Å
79H93.5Very high91.2Very high7 Ų759.2 Ų59.23%0.03231%0.312CS..SBendtrans-121.8157.4169.9-81.2-80.3000109.8G60 G77 R81 I83 S98 D100 S102 T104G60-H79 WeakPolarHBondContact CA-O 3.32Å; G60-H79 PolarHBondContact O-N 2.65Å; G77-H79 VanDerWaalsContact C-N 3.28Å; G77-H79 PolarHBondContact O-N 3.16Å; H79-R81 VanDerWaalsContact C-N 3.33Å; H79-I83 HydrophobicContact CB-CG1 4.24Å; H79-S98 VanDerWaalsContact CG-CB 3.46Å; H79-S98 WeakPolarHBondContact ND1-CB 3.18Å; H79-D100 WeakPolarHBondContact CB-OD2 3.39Å; H79-D100 IonicContact CG-OD2 3.93Å; H79-D100 IonicContact ND1-OD1 2.83Å; H79-D100 PolarHBondContact ND1-OD1 3.24Å; H79-D100 IonicContact ND1-OD2 3.65Å; H79-D100 PolarHBondContact ND1-OD2 3.18Å; H79-S102 PolarHBondContact CE1-OG 2.84Å; H79-S102 PolarHBondContact ND1-OG 2.9Å; H79-S102 VanDerWaalsContact ND1-OG 3.16Å; H79-T104 PolarHBondContact NE2-OG1 3.47Å
80T91.9Very high91.1Very high119 Ų11962 Ų6273%0.7332%0.316SS*.SBendtrans-84.5-12.7-178.860.90000113D100T80-D100 PolarHBondContact N-OD2 3.25Å; T80-D100 WeakPolarHBondContact OG1-CB 3.4Å; T80-D100 PolarHBondContact OG1-OD2 3.29Å
81R93.3Very high91Very high149 Ų14960 Ų6056%0.56231%0.306SS*.SBendtrans-137.4-179179.2-64.8-175.2173.3-175.2-3.4110.1G60 H79 I83 S98 D99 D100G60-R81 WeakPolarHBondContact CA-O 3.49Å; G60-R81 PolarHBondContact N-O 3.08Å; H79-R81 VanDerWaalsContact C-N 3.33Å; R81-I83 PolarHBondContact O-N 3.07Å; R81-S98 PolarHBondContact O-OG 3.2Å; R81-D99 HydrophobicContact CB-CB 3.92Å; R81-D99 WeakPolarHBondContact CD-O 2.89Å; R81-D99 PolarHBondContact NH1-O 3.49Å; R81-D100 HydrophobicContact CB-CB 4.11Å; R81-D100 HydrophobicContact CG-CB 4.12Å
82R93Very high90.9Very high92 Ų9255.3 Ų55.335%0.34729%0.287SS..  trans-46.1127.2176.9169.5179.6-62.7174.3-2.4111.7T42 S58 T84 S98 D99T42-R82 HydrophobicContact CG2-CG 3.94Å; S58-R82 WeakPolarHBondContact O-CA 3.47Å; S58-R82 PolarHBondContact O-N 3Å; R82-T84 HydrophobicContact CG-CG2 4.11Å; R82-T84 PolarHBondContact O-N 3.36Å; R82-S98 VanDerWaalsContact O-CA 3.32Å; R82-S98 WeakPolarHBondContact O-CA 3.22Å; R82-S98 PolarHBondContact O-OG 3.12Å; R82-D99 HydrophobicContact CB-CB 4.4Å; R82-D99 PolarHBondContact O-N 3.15Å
83I94.7Very high91.1Very high0 Ų053.7 Ų53.70%028%0.282CS..EExtended strand (participates in β ladder)trans-75.9118.6165.5-55.1-176.8000107.2T42 V43 T57 N61 L62 H79 R81 L96T42-I83 WeakPolarHBondContact CB-O 3.24Å; T42-I83 PolarHBondContact OG1-O 2.9Å; V43-I83 HydrophobicContact CG1-CB 4.43Å; V43-I83 HydrophobicContact CG1-CG2 3.78Å; T57-I83 PolarHBondContact O-N 3.42Å; N61-I83 WeakPolarHBondContact O-CD1 3.43Å; L62-I83 HydrophobicContact CB-CD1 4.27Å; H79-I83 HydrophobicContact CB-CG1 4.24Å; R81-I83 PolarHBondContact O-N 3.07Å; I83-L96 HydrophobicContact CD1-CD1 4.48Å; I83-L96 HydrophobicContact CG2-CB 4.42Å; I83-L96 HydrophobicContact CG2-CD2 4.28Å
84T91.6Very high91.2Very high32 Ų3251 Ų5120%0.19627%0.265CS..EExtended strand (participates in β ladder)trans-95.8-35.8-176.954.30000112.3R82 A97 D99 P122R82-T84 HydrophobicContact CG-CG2 4.11Å; R82-T84 PolarHBondContact O-N 3.36Å; T84-A97 PolarHBondContact N-O 3.45Å; T84-A97 PolarHBondContact OG1-O 2.92Å; T84-D99 VanDerWaalsContact CG2-OD1 3.31Å; T84-D99 WeakPolarHBondContact CG2-OD1 3.45Å; T84-P122 WeakPolarHBondContact OG1-CG 3.11Å; T84-P122 PolarHBondContact OG1-O 3.13Å
85C92.8Very high91.5Very high6 Ų648.4 Ų48.44%0.04125%0.247CC..EExtended strand (participates in β ladder)trans-135148.2-175.2-41.20000111L96 A97 L123 S124 L125C85-L96 WeakPolarHBondContact O-CA 3.47Å; C85-A97 HydrophobicContact CB-CB 4.03Å; C85-A97 PolarHBondContact N-O 3.24Å; C85-A97 PolarHBondContact O-N 3.19Å; C85-L123 PolarHBondContact SG-O 2.98Å; C85-S124 PolarHBondContact SG-N 3.01Å; C85-S124 VanDerWaalsContact SG-N 3.41Å; C85-L125 HydrophobicContact CB-CB 3.44Å; C85-L125 VanDerWaalsContact CB-CB 3.44Å; C85-L125 HydrophobicContact CB-CD2 4.39Å
86A94.7Very high91.7Very high12 Ų1246.1 Ų46.110%0.09924%0.235CC..EExtended strand (participates in β ladder)trans-146137.8172.400000109.3V43 S45 I94 A95 L96V43-A86 HydrophobicContact CG1-CB 3.95Å; V43-A86 HydrophobicContact CG2-CB 3.96Å; S45-A86 WeakPolarHBondContact CB-O 3.44Å; S45-A86 PolarHBondContact OG-O 3.25Å; A86-I94 HydrophobicContact CB-CD1 4.47Å; A86-A95 CarbonylContact C-O 3.55Å; A86-A95 VanDerWaalsContact CA-O 3.28Å; A86-A95 WeakPolarHBondContact CA-O 3.34Å; A86-L96 HydrophobicContact CB-CD2 3.72Å
87A94.2Very high92Very high6 Ų640.2 Ų40.25%0.0520%0.204CC..EExtended strand (participates in β ladder)trans-142.8141.5177.700000110.4I94 A95 L125 F127A87-I94 CarbonylContact O-C 3.6Å; A87-I94 WeakPolarHBondContact O-CA 3.38Å; A87-I94 WeakPolarHBondContact O-CG1 3.43Å; A87-A95 PolarHBondContact N-O 2.67Å; A87-A95 PolarHBondContact O-N 2.98Å; A87-L125 HydrophobicContact CB-CD2 4.16Å; A87-L125 HydrophobicContact CB-CG 4.37Å; A87-F127 HydrophobicContact CB-CD2 4.09Å; A87-F127 HydrophobicContact CB-CE2 4.4Å; A87-F127 WeakPolarHBondContact O-CE2 3.48Å
88W93.1Very high92.4Very high2 Ų237.5 Ų37.51%0.00818%0.177CC..EExtended strand (participates in β ladder)trans-103.9145.6171.6-70.191.8000111.1S45 K48 A54 N92 I93 I94S45-W88 PolarHBondContact O-NE1 2.95Å; K48-W88 WeakPolarHBondContact CD-O 3.29Å; K48-W88 WeakPolarHBondContact CE-O 3.29Å; A54-W88 HydrophobicContact CB-CZ2 4.02Å; W88-N92 VanDerWaalsContact CE3-OD1 3.31Å; W88-N92 VanDerWaalsContact CZ3-O 3.3Å; W88-N92 WeakPolarHBondContact CZ3-O 3.24Å; W88-N92 VanDerWaalsContact CZ3-OD1 3.27Å; W88-N92 WeakPolarHBondContact CZ3-OD1 3.32Å; W88-I93 WeakPolarHBondContact CA-O 3.49Å; W88-I94 HydrophobicContact CD2-CB 3.86Å; W88-I94 HydrophobicContact CD2-CD1 4.37Å; W88-I94 HydrophobicContact CD2-CG1 4.16Å; W88-I94 HydrophobicContact CE3-CB 3.87Å; W88-I94 HydrophobicContact CG-CG1 4.44Å; W88-I94 HydrophobicContact CH2-CB 4.11Å; W88-I94 HydrophobicContact CH2-CG2 4.31Å; W88-I94 HydrophobicContact CZ2-CB 4.11Å; W88-I94 HydrophobicContact CZ2-CD1 3.85Å; W88-I94 HydrophobicContact CZ2-CG1 4.39Å; W88-I94 HydrophobicContact CZ3-CB 4Å; W88-I94 HydrophobicContact CZ3-CG2 4.45Å
89N89.6Confident92.6Very high2 Ų236.6 Ų36.61%0.01117%0.174CC..  trans-100174.9167.378.9-2.6000112.2N91 N92 I93 F127 D140N89-N91 PolarHBondContact O-N 2.96Å; N89-N91 VanDerWaalsContact OD1-C 3.32Å; N89-N91 WeakPolarHBondContact OD1-CA 3.32Å; N89-N91 PolarHBondContact OD1-N 3.04Å; N89-N92 PolarHBondContact O-N 3.12Å; N89-N92 VanDerWaalsContact O-N 3.09Å; N89-N92 PolarHBondContact OD1-N 3.32Å; N89-N92 VanDerWaalsContact OD1-N 3.11Å; N89-I93 PolarHBondContact N-O 3.31Å; N89-I93 WeakPolarHBondContact OD1-CB 3.38Å; N89-I93 PolarHBondContact OD1-N 2.87Å; N89-I93 PolarHBondContact OD1-O 3.23Å; N89-F127 HydrophobicContact CB-CB 4.05Å; N89-F127 HydrophobicContact CB-CD1 3.86Å; N89-F127 HydrophobicContact CB-CD2 3.74Å; N89-F127 HydrophobicContact CB-CE1 4.15Å; N89-F127 HydrophobicContact CB-CE2 4.03Å; N89-F127 HydrophobicContact CB-CG 3.63Å; N89-F127 HydrophobicContact CB-CZ 4.22Å; N89-D140 HydrophobicContact CB-CB 4.19Å
90R85.9Confident92.6Very high149 Ų14938.1 Ų38.156%0.56218%0.182SC*.THydrogen-bonded Turntrans-66.6-19.9177.8-68176.6175176.30.4114V49 N92V49-R90 WeakPolarHBondContact CG2-O 3.17Å; R90-N92 PolarHBondContact O-N 3.36Å
91N86.1Confident92.7Very high82 Ų8236.5 Ų36.544%0.43917%0.166SC..THydrogen-bonded Turntrans-86.110174-66.4-9.9000112.6N89 I93N89-N91 PolarHBondContact O-N 2.96Å; N89-N91 VanDerWaalsContact OD1-C 3.32Å; N89-N91 WeakPolarHBondContact OD1-CA 3.32Å; N89-N91 PolarHBondContact OD1-N 3.04Å; N91-I93 VanDerWaalsContact C-N 3.28Å; N91-I93 HydrophobicContact CB-CD1 4.33Å; N91-I93 HydrophobicContact CB-CG1 4.41Å; N91-I93 PolarHBondContact O-N 3.41Å
92N88Confident92.7Very high37 Ų3729.8 Ų29.820%0.19814%0.141CC..SBendtrans59.637.5-180-146.318.8000112.9S47 W88 N89 R90 S108S47-N92 WeakPolarHBondContact CB-OD1 3.42Å; S47-N92 PolarHBondContact OG-OD1 3.28Å; W88-N92 VanDerWaalsContact CE3-OD1 3.31Å; W88-N92 VanDerWaalsContact CZ3-O 3.3Å; W88-N92 WeakPolarHBondContact CZ3-O 3.24Å; W88-N92 VanDerWaalsContact CZ3-OD1 3.27Å; W88-N92 WeakPolarHBondContact CZ3-OD1 3.32Å; N89-N92 PolarHBondContact O-N 3.12Å; N89-N92 VanDerWaalsContact O-N 3.09Å; N89-N92 PolarHBondContact OD1-N 3.32Å; N89-N92 VanDerWaalsContact OD1-N 3.11Å; R90-N92 PolarHBondContact O-N 3.36Å; N92-S108 VanDerWaalsContact O-CB 3.25Å; N92-S108 WeakPolarHBondContact O-CB 3.19Å; N92-S108 PolarHBondContact O-N 2.99Å
93I91.6Very high92.8Very high42 Ų4225.5 Ų25.522%0.21513%0.125CC..  trans-100.1140.8170.1-61.3174.9000107.9W88 N89 N91 V105 N106 I113 F127W88-I93 WeakPolarHBondContact CA-O 3.49Å; N89-I93 PolarHBondContact N-O 3.31Å; N89-I93 WeakPolarHBondContact OD1-CB 3.38Å; N89-I93 PolarHBondContact OD1-N 2.87Å; N89-I93 PolarHBondContact OD1-O 3.23Å; N91-I93 VanDerWaalsContact C-N 3.28Å; N91-I93 HydrophobicContact CB-CD1 4.33Å; N91-I93 HydrophobicContact CB-CG1 4.41Å; N91-I93 PolarHBondContact O-N 3.41Å; I93-V105 HydrophobicContact CG2-CG1 3.34Å; I93-N106 VanDerWaalsContact CG2-O 3.28Å; I93-N106 WeakPolarHBondContact CG2-O 3.44Å; I93-I113 HydrophobicContact CG1-CD1 4.48Å; I93-I113 HydrophobicContact CG2-CD1 4.12Å; I93-F127 HydrophobicContact CG2-CZ 4.43Å
94I94.5Very high92.8Very high0 Ų025.8 Ų25.80%013%0.127CC..EExtended strand (participates in β ladder)trans-114.1127.1-179.5-170.3178.2000111.9A54 L62 A86 A87 W88 L96 V105 N106A54-I94 HydrophobicContact CB-CD1 3.24Å; L62-I94 HydrophobicContact CD1-CD1 4.44Å; A86-I94 HydrophobicContact CB-CD1 4.47Å; A87-I94 CarbonylContact O-C 3.6Å; A87-I94 WeakPolarHBondContact O-CA 3.38Å; A87-I94 WeakPolarHBondContact O-CG1 3.43Å; W88-I94 HydrophobicContact CD2-CB 3.86Å; W88-I94 HydrophobicContact CD2-CD1 4.37Å; W88-I94 HydrophobicContact CD2-CG1 4.16Å; W88-I94 HydrophobicContact CE3-CB 3.87Å; W88-I94 HydrophobicContact CG-CG1 4.44Å; W88-I94 HydrophobicContact CH2-CB 4.11Å; W88-I94 HydrophobicContact CH2-CG2 4.31Å; W88-I94 HydrophobicContact CZ2-CB 4.11Å; W88-I94 HydrophobicContact CZ2-CD1 3.85Å; W88-I94 HydrophobicContact CZ2-CG1 4.39Å; W88-I94 HydrophobicContact CZ3-CB 4Å; W88-I94 HydrophobicContact CZ3-CG2 4.45Å; I94-L96 HydrophobicContact CD1-CD2 3.86Å; I94-L96 HydrophobicContact CG1-CD2 4.13Å; I94-V105 CarbonylContact O-C 3.46Å; I94-N106 HydrophobicContact CG2-CB 3.79Å; I94-N106 PolarHBondContact N-O 3.02Å; I94-N106 PolarHBondContact O-N 2.7Å
95A95.4Very high92.9Very high0 Ų024.6 Ų24.60%012%0.119CC..EExtended strand (participates in β ladder)trans-98.7141.6168.900000110.1A86 A87 T104 V105 L125 F127 V143A86-A95 CarbonylContact C-O 3.55Å; A86-A95 VanDerWaalsContact CA-O 3.28Å; A86-A95 WeakPolarHBondContact CA-O 3.34Å; A87-A95 PolarHBondContact N-O 2.67Å; A87-A95 PolarHBondContact O-N 2.98Å; A95-T104 CarbonylContact C-O 3.6Å; A95-T104 VanDerWaalsContact CA-O 3.27Å; A95-T104 WeakPolarHBondContact CA-O 3.31Å; A95-V105 HydrophobicContact CB-CG2 4.3Å; A95-L125 VanDerWaalsContact C-CD2 3.4Å; A95-L125 HydrophobicContact CB-CD2 3.58Å; A95-L125 HydrophobicContact CB-CG 4.4Å; A95-L125 VanDerWaalsContact O-CD2 3.22Å; A95-L125 WeakPolarHBondContact O-CD2 3.26Å; A95-F127 HydrophobicContact CB-CE2 3.65Å; A95-F127 HydrophobicContact CB-CZ 3.62Å; A95-V143 HydrophobicContact CB-CG1 4.37Å; A95-V143 HydrophobicContact CB-CG2 4.34Å
96L96.2Very high93Very high0 Ų024.3 Ų24.30%012%0.118CC..EExtended strand (participates in β ladder)trans-127.9141.1178.5-54.7170.2000109L62 K78 I83 C85 A86 I94 I103 T104L62-L96 HydrophobicContact CD1-CD2 4.09Å; L62-L96 HydrophobicContact CD2-CD1 3.87Å; K78-L96 HydrophobicContact CG-CD1 4.08Å; I83-L96 HydrophobicContact CD1-CD1 4.48Å; I83-L96 HydrophobicContact CG2-CB 4.42Å; I83-L96 HydrophobicContact CG2-CD2 4.28Å; C85-L96 WeakPolarHBondContact O-CA 3.47Å; A86-L96 HydrophobicContact CB-CD2 3.72Å; I94-L96 HydrophobicContact CD1-CD2 3.86Å; I94-L96 HydrophobicContact CG1-CD2 4.13Å; L96-I103 CarbonylContact O-C 3.51Å; L96-I103 VanDerWaalsContact O-CA 3.23Å; L96-I103 WeakPolarHBondContact O-CA 3.4Å; L96-T104 PolarHBondContact N-O 2.68Å; L96-T104 PolarHBondContact O-N 2.69Å
97A95.4Very high92.9Very high0 Ų024.9 Ų24.90%012%0.121CC..EExtended strand (participates in β ladder)trans-123.9146.1170.400000110.4T84 C85 I103 P122 L125T84-A97 PolarHBondContact N-O 3.45Å; T84-A97 PolarHBondContact OG1-O 2.92Å; C85-A97 HydrophobicContact CB-CB 4.03Å; C85-A97 PolarHBondContact N-O 3.24Å; C85-A97 PolarHBondContact O-N 3.19Å; A97-I103 HydrophobicContact CB-CG1 4.08Å; A97-P122 HydrophobicContact CB-CB 3.58Å; A97-P122 HydrophobicContact CB-CG 3.69Å; A97-L125 HydrophobicContact CB-CD1 4.3Å
98S95.1Very high92.7Very high0 Ų026 Ų260%013%0.128CC..EExtended strand (participates in β ladder)trans-138.3155.1-170.9167.50000113.1H79 R81 R82 D100 K101 S102 P122H79-S98 VanDerWaalsContact CG-CB 3.46Å; H79-S98 WeakPolarHBondContact ND1-CB 3.18Å; R81-S98 PolarHBondContact O-OG 3.2Å; R82-S98 VanDerWaalsContact O-CA 3.32Å; R82-S98 WeakPolarHBondContact O-CA 3.22Å; R82-S98 PolarHBondContact O-OG 3.12Å; S98-D100 WeakPolarHBondContact CB-OD1 3.43Å; S98-D100 PolarHBondContact O-N 3.49Å; S98-D100 VanDerWaalsContact O-N 3.09Å; S98-D100 PolarHBondContact OG-N 3.11Å; S98-D100 VanDerWaalsContact OG-N 3.16Å; S98-D100 PolarHBondContact OG-OD1 3.07Å; S98-D100 VanDerWaalsContact OG-OD1 3.06Å; S98-D100 PolarHBondContact OG-OD2 3.26Å; S98-D100 VanDerWaalsContact OG-OD2 3.08Å; S98-K101 PolarHBondContact O-N 2.85Å; S98-S102 PolarHBondContact N-O 3.28Å; S98-S102 VanDerWaalsContact N-O 3.13Å; S98-P122 WeakPolarHBondContact O-CD 3.26Å; S98-P122 VanDerWaalsContact O-CG 3.29Å; S98-P122 WeakPolarHBondContact O-CG 3.02Å
99D93.1Very high92.4Very high32 Ų3231.8 Ų31.817%0.17116%0.156CC..THydrogen-bonded Turntrans-64-7172.2-80.2-20.3000113.4R81 R82 T84 K101R81-D99 HydrophobicContact CB-CB 3.92Å; R81-D99 WeakPolarHBondContact CD-O 2.89Å; R81-D99 PolarHBondContact NH1-O 3.49Å; R82-D99 HydrophobicContact CB-CB 4.4Å; R82-D99 PolarHBondContact O-N 3.15Å; T84-D99 VanDerWaalsContact CG2-OD1 3.31Å; T84-D99 WeakPolarHBondContact CG2-OD1 3.45Å; D99-K101 PolarHBondContact O-N 2.86Å
100D93.8Very high92.1Very high38 Ų3831.9 Ų31.920%0.20316%0.157CC..THydrogen-bonded Turntrans-78.14.9167.66619.6000113.6H79 T80 R81 S98 S102H79-D100 WeakPolarHBondContact CB-OD2 3.39Å; H79-D100 IonicContact CG-OD2 3.93Å; H79-D100 IonicContact ND1-OD1 2.83Å; H79-D100 PolarHBondContact ND1-OD1 3.24Å; H79-D100 IonicContact ND1-OD2 3.65Å; H79-D100 PolarHBondContact ND1-OD2 3.18Å; T80-D100 PolarHBondContact N-OD2 3.25Å; T80-D100 WeakPolarHBondContact OG1-CB 3.4Å; T80-D100 PolarHBondContact OG1-OD2 3.29Å; R81-D100 HydrophobicContact CB-CB 4.11Å; R81-D100 HydrophobicContact CG-CB 4.12Å; S98-D100 WeakPolarHBondContact CB-OD1 3.43Å; S98-D100 PolarHBondContact O-N 3.49Å; S98-D100 VanDerWaalsContact O-N 3.09Å; S98-D100 PolarHBondContact OG-N 3.11Å; S98-D100 VanDerWaalsContact OG-N 3.16Å; S98-D100 PolarHBondContact OG-OD1 3.07Å; S98-D100 VanDerWaalsContact OG-OD1 3.06Å; S98-D100 PolarHBondContact OG-OD2 3.26Å; S98-D100 VanDerWaalsContact OG-OD2 3.08Å; D100-S102 WeakPolarHBondContact OD1-CB 3.45Å; D100-S102 PolarHBondContact OD1-N 2.91Å; D100-S102 VanDerWaalsContact OD1-N 3.1Å; D100-S102 PolarHBondContact OD1-OG 2.87Å
101K93.8Very high92.3Very high86 Ų8629.4 Ų29.437%0.37416%0.155SC..THydrogen-bonded Turntrans62.940179.9-53-174.1172.8-162.40112.8S98 D99 I118 H119S98-K101 PolarHBondContact O-N 2.85Å; D99-K101 PolarHBondContact O-N 2.86Å; K101-I118 VanDerWaalsContact C-CG1 3.42Å; K101-I118 HydrophobicContact CB-CG1 4.17Å; K101-I118 WeakPolarHBondContact CB-O 3.5Å; K101-I118 VanDerWaalsContact O-CG1 3.3Å; K101-I118 WeakPolarHBondContact O-CG1 3.26Å; K101-I118 PolarHBondContact O-N 3.21Å; K101-H119 PolarHBondContact NZ-O 3.48Å
102S93.9Very high92.6Very high8 Ų830.2 Ų30.26%0.05616%0.158CC..EExtended strand (participates in β ladder)trans-130.4150.9171.670.20000112.5H79 S98 D100 H115 T116H79-S102 PolarHBondContact CE1-OG 2.84Å; H79-S102 PolarHBondContact ND1-OG 2.9Å; H79-S102 VanDerWaalsContact ND1-OG 3.16Å; S98-S102 PolarHBondContact N-O 3.28Å; S98-S102 VanDerWaalsContact N-O 3.13Å; D100-S102 WeakPolarHBondContact OD1-CB 3.45Å; D100-S102 PolarHBondContact OD1-N 2.91Å; D100-S102 VanDerWaalsContact OD1-N 3.1Å; D100-S102 PolarHBondContact OD1-OG 2.87Å; S102-H115 WeakPolarHBondContact CB-NE2 3.26Å; S102-T116 CarbonylContact C-O 3.6Å; S102-T116 VanDerWaalsContact CA-O 3.29Å; S102-T116 WeakPolarHBondContact CA-O 3.38Å
103I94.9Very high92.8Very high2 Ų232.7 Ų32.71%0.0117%0.171CC..EExtended strand (participates in β ladder)trans-114124168.9-61.5176.2000107.4L96 A97 H115 T116 I118 L125 V143 C145 L153 L155L96-I103 CarbonylContact O-C 3.51Å; L96-I103 VanDerWaalsContact O-CA 3.23Å; L96-I103 WeakPolarHBondContact O-CA 3.4Å; A97-I103 HydrophobicContact CB-CG1 4.08Å; I103-H115 WeakPolarHBondContact O-CA 3.28Å; I103-T116 PolarHBondContact N-O 2.93Å; I103-T116 PolarHBondContact O-N 3.2Å; I103-I118 HydrophobicContact CD1-CD1 4.46Å; I103-I118 HydrophobicContact CD1-CG2 3.77Å; I103-I118 HydrophobicContact CG1-CD1 4.25Å; I103-I118 HydrophobicContact CG1-CG2 4.07Å; I103-L125 HydrophobicContact CD1-CD1 4.32Å; I103-L125 HydrophobicContact CG2-CD1 4.26Å; I103-V143 HydrophobicContact CG2-CG1 4.31Å; I103-C145 HydrophobicContact CD1-CB 3.85Å; I103-L153 HydrophobicContact CD1-CD2 4.28Å; I103-L155 HydrophobicContact CD1-CD1 3.85Å
104T95.1Very high92.7Very high5 Ų534.3 Ų34.33%0.03118%0.176CC..EExtended strand (participates in β ladder)trans-112.6137173.861.20000111.1H79 A95 L96 N106 L112 K114 H115H79-T104 PolarHBondContact NE2-OG1 3.47Å; A95-T104 CarbonylContact C-O 3.6Å; A95-T104 VanDerWaalsContact CA-O 3.27Å; A95-T104 WeakPolarHBondContact CA-O 3.31Å; L96-T104 PolarHBondContact N-O 2.68Å; L96-T104 PolarHBondContact O-N 2.69Å; T104-N106 PolarHBondContact O-ND2 2.98Å; T104-N106 PolarHBondContact OG1-ND2 3.28Å; T104-L112 HydrophobicContact CG2-CD1 3.7Å; T104-K114 CarbonylContact C-O 3.49Å; T104-K114 VanDerWaalsContact CA-O 3.31Å; T104-K114 WeakPolarHBondContact CA-O 3.49Å; T104-H115 HydrophobicContact CG2-CB 4.45Å
105V94Very high92.5Very high7 Ų739.1 Ų39.14%0.04220%0.199CC..EExtended strand (participates in β ladder)trans-108.5129.9171.7-177.40000107.4I93 I94 A95 I113 K114 V143 L157I93-V105 HydrophobicContact CG2-CG1 3.34Å; I94-V105 CarbonylContact O-C 3.46Å; A95-V105 HydrophobicContact CB-CG2 4.3Å; V105-I113 WeakPolarHBondContact O-CA 3.35Å; V105-I113 WeakPolarHBondContact O-CB 2.91Å; V105-I113 PolarHBondContact O-N 3.45Å; V105-K114 HydrophobicContact CB-CB 4.09Å; V105-K114 HydrophobicContact CG2-CB 4.32Å; V105-K114 PolarHBondContact N-O 3.02Å; V105-K114 PolarHBondContact O-N 3.13Å; V105-V143 HydrophobicContact CG2-CG2 4.25Å; V105-L157 HydrophobicContact CG2-CD2 3.93Å
106N94.6Very high92.3Very high0 Ų040.3 Ų40.30%021%0.206CC..EExtended strand (participates in β ladder)trans-135.8154.6-166.9-52.1-82.2000112.2K78 I93 I94 T104 D111 L112K78-N106 WeakPolarHBondContact CE-OD1 3.42Å; K78-N106 PolarHBondContact NZ-OD1 3.44Å; I93-N106 VanDerWaalsContact CG2-O 3.28Å; I93-N106 WeakPolarHBondContact CG2-O 3.44Å; I94-N106 HydrophobicContact CG2-CB 3.79Å; I94-N106 PolarHBondContact N-O 3.02Å; I94-N106 PolarHBondContact O-N 2.7Å; T104-N106 PolarHBondContact O-ND2 2.98Å; T104-N106 PolarHBondContact OG1-ND2 3.28Å; N106-D111 CarbonylContact C-O 3.58Å; N106-D111 WeakPolarHBondContact CA-O 3.36Å; N106-D111 VanDerWaalsContact CB-O 3.24Å; N106-D111 WeakPolarHBondContact CB-O 3.5Å; N106-L112 WeakPolarHBondContact OD1-CA 3.17Å; N106-L112 WeakPolarHBondContact OD1-CD1 3.5Å
107S92.3Very high92.1Very high25 Ų2546.2 Ų46.218%0.17524%0.236CC..  trans-64.1169173.579.30000111.4E109 G110 D111S107-E109 PolarHBondContact O-N 3.12Å; S107-E109 VanDerWaalsContact O-N 3.09Å; S107-E109 PolarHBondContact OG-N 2.77Å; S107-G110 WeakPolarHBondContact O-CA 3.16Å; S107-G110 PolarHBondContact O-N 2.77Å; S107-G110 PolarHBondContact OG-N 3.21Å; S107-D111 PolarHBondContact N-O 3.25Å; S107-D111 WeakPolarHBondContact OG-CB 3.44Å; S107-D111 PolarHBondContact OG-N 2.64Å; S107-D111 PolarHBondContact OG-OD2 3.21Å
108S89.6Confident91.9Very high28 Ų2846.6 Ų46.620%0.19624%0.238CC..THydrogen-bonded Turntrans-61.2-16.3174.275.90000114.5R52 I64 N92R52-S108 VanDerWaalsContact NH1-C 3.33Å; R52-S108 PolarHBondContact NH1-O 3.2Å; R52-S108 PolarHBondContact NH1-OG 3.46Å; I64-S108 WeakPolarHBondContact CD1-O 3.46Å; N92-S108 VanDerWaalsContact O-CB 3.25Å; N92-S108 WeakPolarHBondContact O-CB 3.19Å; N92-S108 PolarHBondContact O-N 2.99Å
109E86.7Confident91.6Very high125 Ų12553.5 Ų53.558%0.58427%0.27SS*.THydrogen-bonded Turntrans-98.4-7175.8-55.4-164.4166.800112.3L75 S107L75-E109 WeakPolarHBondContact CD1-O 3.32Å; S107-E109 PolarHBondContact O-N 3.12Å; S107-E109 VanDerWaalsContact O-N 3.09Å; S107-E109 PolarHBondContact OG-N 2.77Å
110G85Confident91.4Very high3 Ų355.6 Ų55.63%0.03128%0.281CS..  trans93.314.9177.100000115.3K78 S107K78-G110 PolarHBondContact NZ-O 2.85Å; S107-G110 WeakPolarHBondContact O-CA 3.16Å; S107-G110 PolarHBondContact O-N 2.77Å; S107-G110 PolarHBondContact OG-N 3.21Å
111D90.5Very high91.3Very high98 Ų9858.8 Ų58.852%0.52430%0.295SS..  trans-70.1140.8172-51.8-58.2000110.7N106 S107 I113N106-D111 CarbonylContact C-O 3.58Å; N106-D111 WeakPolarHBondContact CA-O 3.36Å; N106-D111 VanDerWaalsContact CB-O 3.24Å; N106-D111 WeakPolarHBondContact CB-O 3.5Å; S107-D111 PolarHBondContact N-O 3.25Å; S107-D111 WeakPolarHBondContact OG-CB 3.44Å; S107-D111 PolarHBondContact OG-N 2.64Å; S107-D111 PolarHBondContact OG-OD2 3.21Å; D111-I113 PolarHBondContact O-N 2.95Å
112L92.3Very high91.3Very high98 Ų9855 Ų5551%0.51328%0.279SS..EExtended strand (participates in β ladder)trans-72.7125.6-178.9-174.967.9000111.4T104 N106 K114 H115T104-L112 HydrophobicContact CG2-CD1 3.7Å; N106-L112 WeakPolarHBondContact OD1-CA 3.17Å; N106-L112 WeakPolarHBondContact OD1-CD1 3.5Å; L112-K114 VanDerWaalsContact CD1-O 3.32Å; L112-K114 WeakPolarHBondContact CD1-O 3.46Å; L112-H115 HydrophobicContact CD1-CB 4.36Å; L112-H115 HydrophobicContact CD2-CB 4.34Å
113I90.8Very high91Very high89 Ų8957.3 Ų57.346%0.45629%0.291SS..EExtended strand (participates in β ladder)trans-102.8-50.7173.5-54.2175.7000110I93 V105 D111I93-I113 HydrophobicContact CG1-CD1 4.48Å; I93-I113 HydrophobicContact CG2-CD1 4.12Å; V105-I113 WeakPolarHBondContact O-CA 3.35Å; V105-I113 WeakPolarHBondContact O-CB 2.91Å; V105-I113 PolarHBondContact O-N 3.45Å; D111-I113 PolarHBondContact O-N 2.95Å
114K89.4Confident90.8Very high77 Ų7758.8 Ų58.834%0.33530%0.301SS..EExtended strand (participates in β ladder)trans-138.7150.7178.9-57.2-158.2173.2-155.60112.2T104 V105 L112 L157 V160T104-K114 CarbonylContact C-O 3.49Å; T104-K114 VanDerWaalsContact CA-O 3.31Å; T104-K114 WeakPolarHBondContact CA-O 3.49Å; V105-K114 HydrophobicContact CB-CB 4.09Å; V105-K114 HydrophobicContact CG2-CB 4.32Å; V105-K114 PolarHBondContact N-O 3.02Å; V105-K114 PolarHBondContact O-N 3.13Å; L112-K114 VanDerWaalsContact CD1-O 3.32Å; L112-K114 WeakPolarHBondContact CD1-O 3.46Å; K114-L157 HydrophobicContact CD-CD2 4.29Å; K114-L157 PolarHBondContact NZ-O 2.86Å; K114-V160 HydrophobicContact CD-CG2 3.89Å
115H91.6Very high90.7Very high101 Ų10159.2 Ų59.247%0.46830%0.303SS..EExtended strand (participates in β ladder)trans-137.9126.4177.3171.3-93.5000109.6S102 I103 T104 L112S102-H115 WeakPolarHBondContact CB-NE2 3.26Å; I103-H115 WeakPolarHBondContact O-CA 3.28Å; T104-H115 HydrophobicContact CG2-CB 4.45Å; L112-H115 HydrophobicContact CD1-CB 4.36Å; L112-H115 HydrophobicContact CD2-CB 4.34Å
116T91.5Very high90.7Very high24 Ų2460.2 Ų60.215%0.14731%0.308CS..EExtended strand (participates in β ladder)trans-129.8134.1-178.5-48.30000109.5S102 I103 L155 V160S102-T116 CarbonylContact C-O 3.6Å; S102-T116 VanDerWaalsContact CA-O 3.29Å; S102-T116 WeakPolarHBondContact CA-O 3.38Å; I103-T116 PolarHBondContact N-O 2.93Å; I103-T116 PolarHBondContact O-N 3.2Å; T116-L155 HydrophobicContact CG2-CD1 4.26Å; T116-L155 HydrophobicContact CG2-CD2 3.92Å; T116-V160 HydrophobicContact CG2-CG1 4.21Å; T116-V160 WeakPolarHBondContact OG1-CG1 3.44Å
117I91.7Very high90.5Very high125 Ų12560.4 Ų60.464%0.64131%0.309SS*.EExtended strand (participates in β ladder)trans-91.2134.6175.7-63.1164.7000108.5
118I91.2Very high90.1Very high7 Ų759.4 Ų59.44%0.03630%0.303CS..  trans-112.1161177.855.7170.5000111K101 I103 D120 P122 I147 L153K101-I118 VanDerWaalsContact C-CG1 3.42Å; K101-I118 HydrophobicContact CB-CG1 4.17Å; K101-I118 WeakPolarHBondContact CB-O 3.5Å; K101-I118 VanDerWaalsContact O-CG1 3.3Å; K101-I118 WeakPolarHBondContact O-CG1 3.26Å; K101-I118 PolarHBondContact O-N 3.21Å; I103-I118 HydrophobicContact CD1-CD1 4.46Å; I103-I118 HydrophobicContact CD1-CG2 3.77Å; I103-I118 HydrophobicContact CG1-CD1 4.25Å; I103-I118 HydrophobicContact CG1-CG2 4.07Å; I118-D120 VanDerWaalsContact CD1-O 3.3Å; I118-D120 WeakPolarHBondContact CD1-O 3.28Å; I118-P122 HydrophobicContact CD1-CB 3.79Å; I118-P122 HydrophobicContact CD1-CG 3.84Å; I118-I147 HydrophobicContact CB-CD1 3.9Å; I118-I147 HydrophobicContact CD1-CD1 4.33Å; I118-I147 HydrophobicContact CG2-CD1 3.8Å; I118-L153 HydrophobicContact CG2-CD2 3.78Å
119H87.8Confident89.5Confident145 Ų14562.2 Ų62.267%0.67131%0.309SS*.SBendtrans-85.9-24-171.8-61.3-54.8000114.2K101 E165K101-H119 PolarHBondContact NZ-O 3.48Å; H119-E165 IonicContact CD2-OE1 2.61Å
120D89.9Confident88.8Confident76 Ų7656.9 Ų56.941%0.40628%0.284SS..SBendtrans-138179.6-177-145-23.4000112.2I118 I147 G148I118-D120 VanDerWaalsContact CD1-O 3.3Å; I118-D120 WeakPolarHBondContact CD1-O 3.28Å; D120-I147 HydrophobicContact CB-CG2 3.42Å; D120-I147 VanDerWaalsContact CB-CG2 3.42Å; D120-G148 WeakPolarHBondContact OD2-CA 3.48Å
121Q89.9Confident87.9Confident105 Ų10560 Ų6049%0.49130%0.297SS..  trans-68.6132.8-178.6-68.6-178.9-24.700112.2G148Q121-G148 PolarHBondContact O-N 3.26Å
122P93.9Very high86.4Confident7 Ų758.5 Ų58.55%0.04529%0.289CS..EExtended strand (participates in β ladder)trans-83.2139.1176.828.8-26.9000112.3T84 A97 S98 I118 I146T84-P122 WeakPolarHBondContact OG1-CG 3.11Å; T84-P122 PolarHBondContact OG1-O 3.13Å; A97-P122 HydrophobicContact CB-CB 3.58Å; A97-P122 HydrophobicContact CB-CG 3.69Å; S98-P122 WeakPolarHBondContact O-CD 3.26Å; S98-P122 VanDerWaalsContact O-CG 3.29Å; S98-P122 WeakPolarHBondContact O-CG 3.02Å; I118-P122 HydrophobicContact CD1-CB 3.79Å; I118-P122 HydrophobicContact CD1-CG 3.84Å; P122-I146 WeakPolarHBondContact CA-O 3.39Å
123L89.3Confident84.5Confident57 Ų5759.5 Ų59.530%0.29829%0.294SS..EExtended strand (participates in β ladder)trans-113.2-43.2-179.1-176.871000114.6C85 I146 K149C85-L123 PolarHBondContact SG-O 2.98Å; L123-I146 HydrophobicContact CB-CB 4.21Å; L123-I146 HydrophobicContact CB-CG2 4.08Å; L123-I146 HydrophobicContact CD2-CG2 4.31Å; L123-I146 PolarHBondContact N-O 3.03Å; L123-K149 HydrophobicContact CD2-CG 4.34Å
124S90Very high82.7Confident33 Ų3362.1 Ų62.123%0.23131%0.309CS..EExtended strand (participates in β ladder)trans-143.2148.5-179.3-179.10000110C85 C145 I146C85-S124 PolarHBondContact SG-N 3.01Å; C85-S124 VanDerWaalsContact SG-N 3.41Å; S124-C145 CarbonylContact O-C 3.52Å; S124-C145 WeakPolarHBondContact O-CA 3.49Å; S124-C145 PolarHBondContact O-SG 2.77Å; S124-I146 PolarHBondContact O-N 2.79Å
125L93.2Very high80.7Confident13 Ų1364.9 Ų64.97%0.06833%0.333CS..EExtended strand (participates in β ladder)trans-141136.3-172.9-170.784.9000109.4C85 A87 A95 A97 I103 V143 S144 C145C85-L125 HydrophobicContact CB-CB 3.44Å; C85-L125 VanDerWaalsContact CB-CB 3.44Å; C85-L125 HydrophobicContact CB-CD2 4.39Å; A87-L125 HydrophobicContact CB-CD2 4.16Å; A87-L125 HydrophobicContact CB-CG 4.37Å; A95-L125 VanDerWaalsContact C-CD2 3.4Å; A95-L125 HydrophobicContact CB-CD2 3.58Å; A95-L125 HydrophobicContact CB-CG 4.4Å; A95-L125 VanDerWaalsContact O-CD2 3.22Å; A95-L125 WeakPolarHBondContact O-CD2 3.26Å; A97-L125 HydrophobicContact CB-CD1 4.3Å; I103-L125 HydrophobicContact CD1-CD1 4.32Å; I103-L125 HydrophobicContact CG2-CD1 4.26Å; L125-V143 HydrophobicContact CD1-CG1 3.65Å; L125-V143 HydrophobicContact CG-CG1 4.37Å; L125-S144 WeakPolarHBondContact CA-O 3.41Å; L125-C145 HydrophobicContact CD1-CB 3.96Å
126D92.9Very high78.5Confident28 Ų2863 Ų6315%0.1533%0.331CS..EExtended strand (participates in β ladder)trans-152164.3176.2-162.310000110.2K48 S144 Y178K48-D126 IonicContact NZ-OD1 2.7Å; D126-S144 PolarHBondContact N-O 2.76Å; D126-S144 PolarHBondContact O-N 2.79Å; D126-S144 PolarHBondContact O-OG 3.49Å; D126-Y178 HydrophobicContact CB-CE2 4.2Å; D126-Y178 WeakPolarHBondContact CB-OH 3.22Å; D126-Y178 PolarHBondContact N-OH 3.38Å
127F90.8Very high76.5Confident5 Ų564.4 Ų64.42%0.02235%0.35CS..EExtended strand (participates in β ladder)trans-102.8140.8170.8-79.9-85.4000110.4A87 N89 I93 A95 D140 T142 V143 L157A87-F127 HydrophobicContact CB-CD2 4.09Å; A87-F127 HydrophobicContact CB-CE2 4.4Å; A87-F127 WeakPolarHBondContact O-CE2 3.48Å; N89-F127 HydrophobicContact CB-CB 4.05Å; N89-F127 HydrophobicContact CB-CD1 3.86Å; N89-F127 HydrophobicContact CB-CD2 3.74Å; N89-F127 HydrophobicContact CB-CE1 4.15Å; N89-F127 HydrophobicContact CB-CE2 4.03Å; N89-F127 HydrophobicContact CB-CG 3.63Å; N89-F127 HydrophobicContact CB-CZ 4.22Å; I93-F127 HydrophobicContact CG2-CZ 4.43Å; A95-F127 HydrophobicContact CB-CE2 3.65Å; A95-F127 HydrophobicContact CB-CZ 3.62Å; F127-D140 HydrophobicContact CB-CB 4.21Å; F127-T142 WeakPolarHBondContact CA-O 3.45Å; F127-V143 HydrophobicContact CD1-CG2 3.85Å; F127-V143 HydrophobicContact CE1-CG2 3.41Å; F127-V143 VanDerWaalsContact CE1-CG2 3.41Å; F127-V143 HydrophobicContact CZ-CG2 3.95Å; F127-L157 HydrophobicContact CE1-CD1 4.18Å
128G84.2Confident74.7Confident4 Ų465.2 Ų65.24%0.04135%0.354CS..EExtended strand (participates in β ladder)trans-152.4-177.6175.700000113.3T142G128-T142 PolarHBondContact N-O 3.17Å; G128-T142 WeakPolarHBondContact O-CB 3.23Å; G128-T142 PolarHBondContact O-N 3.02Å
129R76.6Confident73.3Confident86 Ų8669.7 Ų69.733%0.32538%0.375SS..  trans-121.8119.5179.5-177.5-180179.2-159.62.9109.9S136 W180R129-S136 PolarHBondContact NH2-O 2.81Å; R129-W180 VanDerWaalsContact O-CZ3 3.24Å; R129-W180 WeakPolarHBondContact O-CZ3 3.23Å
130M72.8Confident72.5Confident14 Ų1463.9 Ų63.97%0.06935%0.349CS..  trans-81.4135.4167.7-64.5178.276.300110L132 T142 L154 L164 W180 F205M130-L132 VanDerWaalsContact C-N 3.33Å; M130-L132 HydrophobicContact CB-CD1 4.21Å; M130-L132 HydrophobicContact CB-CG 4.13Å; M130-L132 HydrophobicContact CE-CD1 3.66Å; M130-L132 HydrophobicContact CE-CD2 4.43Å; M130-L132 HydrophobicContact CE-CG 4.14Å; M130-L132 PolarHBondContact O-N 3.49Å; M130-L132 HydrophobicContact SD-CD1 4.18Å; M130-T142 HydrophobicContact CG-CG2 3.94Å; M130-T142 HydrophobicContact SD-CG2 3.79Å; M130-L154 HydrophobicContact CE-CD1 4.18Å; M130-L154 HydrophobicContact SD-CB 4.41Å; M130-L154 HydrophobicContact SD-CD1 4.44Å; M130-L164 HydrophobicContact CE-CD1 3.43Å; M130-L164 VanDerWaalsContact CE-CD1 3.43Å; M130-L164 HydrophobicContact SD-CD1 4.38Å; M130-W180 HydrophobicContact CG-CH2 3.93Å; M130-F205 HydrophobicContact CE-CD2 4.21Å; M130-F205 HydrophobicContact CE-CE2 3.41Å; M130-F205 VanDerWaalsContact CE-CE2 3.41Å; M130-F205 HydrophobicContact CE-CZ 4Å
131K66.5Low72.1Confident69 Ų6961.9 Ų61.930%0.334%0.338SS..  trans-94.666.6176.5-158174.9-175.5177.80110Q201 S202K131-Q201 HydrophobicContact CB-CG 4.43Å; K131-Q201 HydrophobicContact CD-CG 4.4Å; K131-S202 PolarHBondContact O-N 3.09Å
132L58.5Low72Confident66 Ų6657.1 Ų57.135%0.34632%0.317SS..SBendtrans-87.7-33.3178.6-70.4171.2000112.3M130M130-L132 VanDerWaalsContact C-N 3.33Å; M130-L132 HydrophobicContact CB-CD1 4.21Å; M130-L132 HydrophobicContact CB-CG 4.13Å; M130-L132 HydrophobicContact CE-CD1 3.66Å; M130-L132 HydrophobicContact CE-CD2 4.43Å; M130-L132 HydrophobicContact CE-CG 4.14Å; M130-L132 PolarHBondContact O-N 3.49Å; M130-L132 HydrophobicContact SD-CD1 4.18Å
133D52.1Low72Confident118 Ų11856.9 Ų56.963%0.63132%0.315SS*.  trans-144.6137.2176.9-72.5-48.6000111.7T135D133-T135 PolarHBondContact O-N 2.86Å
134D52.9Low72.2Confident145 Ų14554.2 Ų54.278%0.77530%0.301SS*.THydrogen-bonded Turntrans-68.6-0.9-176.2-82.2-30.2000114.5
135T47.9Very low72.4Confident134 Ų13452.7 Ų52.782%0.82229%0.29SS*.THydrogen-bonded Turntrans-103.8-10.9-167.254.20000115.8D133D133-T135 PolarHBondContact O-N 2.86Å
136S45.1Very low72.5Confident61 Ų6152 Ų5243%0.42729%0.287SS..SBendtrans-92.3127.4179.262.90000111.5R129R129-S136 PolarHBondContact NH2-O 2.81Å
137G49Very low72.4Confident54 Ų5451 Ų5156%0.55728%0.281SS*.  trans-58-172.3-176.600000116.4E139G137-E139 PolarHBondContact O-N 2.94Å
138I54.3Low72.4Confident143 Ų14351.7 Ų51.773%0.73329%0.289SS*.SBendtrans-63.612.1-168.1-60.8163000114.5
139E62.5Low72.7Confident101 Ų10154.7 Ų54.747%0.47230%0.301SS..  trans-85.4130.5-171.4-62.8-173.6157.100113.6G137 N141G137-E139 PolarHBondContact O-N 2.94Å; E139-N141 VanDerWaalsContact C-N 3.3Å; E139-N141 PolarHBondContact O-N 2.99Å; E139-N141 PolarHBondContact OE2-ND2 3.45Å
140D70.6Confident73.4Confident23 Ų2357.1 Ų57.112%0.12331%0.314CS..  trans-70.979.4171.8-63.9-26.5000110.4N89 F127N89-D140 HydrophobicContact CB-CB 4.19Å; F127-D140 HydrophobicContact CB-CB 4.21Å
141N80.7Confident74.3Confident34 Ų3460.4 Ų60.418%0.18233%0.328CS..  trans-95.64.9-170.6-79.6-17.6000115.4E139 L157E139-N141 VanDerWaalsContact C-N 3.3Å; E139-N141 PolarHBondContact O-N 2.99Å; E139-N141 PolarHBondContact OE2-ND2 3.45Å; N141-L157 VanDerWaalsContact O-CB 3.32Å; N141-L157 WeakPolarHBondContact O-CB 3.36Å; N141-L157 WeakPolarHBondContact O-CG 3.2Å; N141-L157 PolarHBondContact O-N 3.39Å
142T88.8Confident75.6Confident5 Ų557.1 Ų57.13%0.03131%0.314CS..EExtended strand (participates in β ladder)trans-118.3130.5178.3-52.40000111.1F127 G128 M130 L154 L155F127-T142 WeakPolarHBondContact CA-O 3.45Å; G128-T142 PolarHBondContact N-O 3.17Å; G128-T142 WeakPolarHBondContact O-CB 3.23Å; G128-T142 PolarHBondContact O-N 3.02Å; M130-T142 HydrophobicContact CG-CG2 3.94Å; M130-T142 HydrophobicContact SD-CG2 3.79Å; T142-L154 HydrophobicContact CG2-CB 4.21Å; T142-L155 CarbonylContact C-O 3.29Å; T142-L155 WeakPolarHBondContact CA-O 3.21Å
143V92.6Very high77.3Confident2 Ų254.2 Ų54.21%0.01230%0.298CS..EExtended strand (participates in β ladder)trans-97124169.8174.90000108.6A95 I103 V105 L125 F127 L155 L157A95-V143 HydrophobicContact CB-CG1 4.37Å; A95-V143 HydrophobicContact CB-CG2 4.34Å; I103-V143 HydrophobicContact CG2-CG1 4.31Å; V105-V143 HydrophobicContact CG2-CG2 4.25Å; L125-V143 HydrophobicContact CD1-CG1 3.65Å; L125-V143 HydrophobicContact CG-CG1 4.37Å; F127-V143 HydrophobicContact CD1-CG2 3.85Å; F127-V143 HydrophobicContact CE1-CG2 3.41Å; F127-V143 VanDerWaalsContact CE1-CG2 3.41Å; F127-V143 HydrophobicContact CZ-CG2 3.95Å; V143-L155 HydrophobicContact CB-CB 4.3Å; V143-L155 PolarHBondContact N-O 3.41Å; V143-L155 WeakPolarHBondContact O-CB 3.37Å; V143-L155 PolarHBondContact O-N 3.21Å; V143-L157 HydrophobicContact CG2-CD2 3.84Å; V143-L157 HydrophobicContact CG2-CG 4.26Å
144S93.6Very high79.2Confident0 Ų048.7 Ų48.70%027%0.269CS..EExtended strand (participates in β ladder)trans-108.7148.2176.546.90000111.2L125 D126 L153 Y178 W180L125-S144 WeakPolarHBondContact CA-O 3.41Å; D126-S144 PolarHBondContact N-O 2.76Å; D126-S144 PolarHBondContact O-N 2.79Å; D126-S144 PolarHBondContact O-OG 3.49Å; S144-L153 CarbonylContact C-O 3.57Å; S144-L153 WeakPolarHBondContact CA-O 3.16Å; S144-Y178 VanDerWaalsContact CB-OH 3.23Å; S144-Y178 WeakPolarHBondContact CB-OH 3.08Å; S144-Y178 PolarHBondContact O-OH 3.19Å; S144-Y178 WeakPolarHBondContact OG-CE2 3.43Å; S144-Y178 PolarHBondContact OG-OH 2.9Å; S144-W180 PolarHBondContact OG-NE1 3.02Å
145C94.5Very high80.9Confident1 Ų142 Ų421%0.00723%0.233CC..EExtended strand (participates in β ladder)trans-151.3136.2-179.9-169.30000113.6I103 S124 L125 L153I103-C145 HydrophobicContact CD1-CB 3.85Å; S124-C145 CarbonylContact O-C 3.52Å; S124-C145 WeakPolarHBondContact O-CA 3.49Å; S124-C145 PolarHBondContact O-SG 2.77Å; L125-C145 HydrophobicContact CD1-CB 3.96Å; C145-L153 HydrophobicContact CB-CB 4.49Å; C145-L153 PolarHBondContact N-O 3.05Å; C145-L153 WeakPolarHBondContact O-CB 3.16Å; C145-L153 PolarHBondContact O-N 3.47Å
146I94.7Very high82.8Confident0 Ų037.7 Ų37.70%021%0.205CC..EExtended strand (participates in β ladder)trans-78.2127167.5-66.2171.1000109.3P122 L123 S124 K151 L152 L175 Y178P122-I146 WeakPolarHBondContact CA-O 3.39Å; L123-I146 HydrophobicContact CB-CB 4.21Å; L123-I146 HydrophobicContact CB-CG2 4.08Å; L123-I146 HydrophobicContact CD2-CG2 4.31Å; L123-I146 PolarHBondContact N-O 3.03Å; S124-I146 PolarHBondContact O-N 2.79Å; I146-K151 WeakPolarHBondContact CA-O 3.44Å; I146-L152 HydrophobicContact CG1-CD1 4.11Å; I146-L175 HydrophobicContact CD1-CB 4.05Å; I146-L175 HydrophobicContact CD1-CD2 4.49Å; I146-L175 HydrophobicContact CG1-CB 4.44Å; I146-L175 HydrophobicContact CG1-CD2 4.2Å; I146-L175 HydrophobicContact CG2-CB 3.97Å; I146-L175 HydrophobicContact CG2-CD2 4.42Å; I146-Y178 HydrophobicContact CD1-CD1 3.63Å; I146-Y178 HydrophobicContact CD1-CE1 4.31Å; I146-Y178 HydrophobicContact CG1-CD1 3.62Å; I146-Y178 HydrophobicContact CG1-CE1 3.97Å
147I92.6Very high84.7Confident7 Ų735.7 Ų35.74%0.03619%0.19CC..EExtended strand (participates in β ladder)trans-119.1127.9-178.1-61.7-172.1000110.4I118 D120 K149 K150 K151 L153I118-I147 HydrophobicContact CB-CD1 3.9Å; I118-I147 HydrophobicContact CD1-CD1 4.33Å; I118-I147 HydrophobicContact CG2-CD1 3.8Å; D120-I147 HydrophobicContact CB-CG2 3.42Å; D120-I147 VanDerWaalsContact CB-CG2 3.42Å; I147-K149 PolarHBondContact O-N 3.45Å; I147-K150 PolarHBondContact O-N 3.48Å; I147-K150 VanDerWaalsContact O-N 3.15Å; I147-K151 PolarHBondContact N-O 3.01Å; I147-K151 PolarHBondContact O-N 2.88Å; I147-K151 VanDerWaalsContact O-N 3.17Å; I147-L153 HydrophobicContact CD1-CB 3.52Å; I147-L153 HydrophobicContact CD1-CD1 4.37Å; I147-L153 HydrophobicContact CD1-CD2 3.42Å; I147-L153 VanDerWaalsContact CD1-CD2 3.42Å; I147-L153 HydrophobicContact CD1-CG 3.94Å; I147-L153 HydrophobicContact CG1-CB 4.05Å
148G89.5Confident86.3Confident18 Ų1839 Ų3919%0.18620%0.195CC..THydrogen-bonded Turntrans6020.1175.500000114.2D120 Q121 K150D120-G148 WeakPolarHBondContact OD2-CA 3.48Å; Q121-G148 PolarHBondContact O-N 3.26Å; G148-K150 WeakPolarHBondContact O-CG 3.35Å; G148-K150 PolarHBondContact O-N 2.9Å; G148-K150 VanDerWaalsContact O-N 3.1Å
149K90.9Very high87.6Confident68 Ų6835.3 Ų35.330%0.29618%0.176SC..THydrogen-bonded Turntrans57.912.7-172.9-51.5-179.1178.6170.50115.4L123 I147 D174 L175L123-K149 HydrophobicContact CD2-CG 4.34Å; I147-K149 PolarHBondContact O-N 3.45Å; K149-D174 HydrophobicContact CB-CB 4.08Å; K149-D174 WeakPolarHBondContact O-CA 3.23Å; K149-L175 PolarHBondContact O-N 3.01Å
150K90.3Very high88.3Confident137 Ų13732.4 Ų32.460%0.59617%0.165SC*.THydrogen-bonded Turntrans-124.9-27.1-172.4-70.9179.5-177.4-179.90114I147 G148 L175I147-K150 PolarHBondContact O-N 3.48Å; I147-K150 VanDerWaalsContact O-N 3.15Å; G148-K150 WeakPolarHBondContact O-CG 3.35Å; G148-K150 PolarHBondContact O-N 2.9Å; G148-K150 VanDerWaalsContact O-N 3.1Å; K150-L175 WeakPolarHBondContact O-CD1 3.4Å
151K93Very high88.8Confident82 Ų8239.7 Ų39.736%0.35720%0.199SC..EExtended strand (participates in β ladder)trans-125.3148.5-175.1-62.3-179.1175.7-176.20110.8I146 I147 E165 L166 A167I146-K151 WeakPolarHBondContact CA-O 3.44Å; I147-K151 PolarHBondContact N-O 3.01Å; I147-K151 PolarHBondContact O-N 2.88Å; I147-K151 VanDerWaalsContact O-N 3.17Å; K151-E165 HydrophobicContact CD-CB 4.43Å; K151-E165 VanDerWaalsContact CD-OE2 3.26Å; K151-E165 WeakPolarHBondContact CD-OE2 3.45Å; K151-E165 IonicContact NZ-OE2 3.49Å; K151-E165 PolarHBondContact NZ-OE2 3.37Å; K151-L166 CarbonylContact C-O 3.58Å; K151-L166 VanDerWaalsContact CA-O 3.24Å; K151-L166 WeakPolarHBondContact CA-O 3.44Å; K151-A167 HydrophobicContact CG-CB 4.39Å
152L94.1Very high89Confident0 Ų043.1 Ų43.10%022%0.217CC..EExtended strand (participates in β ladder)trans-105.8115167-178.866.1000108.5I146 L154 L166 F168 L175 Y178 I186 V188 I198I146-L152 HydrophobicContact CG1-CD1 4.11Å; L152-L154 HydrophobicContact CD2-CD2 4.46Å; L152-L154 HydrophobicContact CG-CD2 4.33Å; L152-L166 HydrophobicContact CB-CB 4.41Å; L152-L166 PolarHBondContact N-O 2.76Å; L152-L166 PolarHBondContact O-N 2.97Å; L152-F168 HydrophobicContact CB-CE2 3.97Å; L152-L175 HydrophobicContact CB-CD2 4.33Å; L152-Y178 HydrophobicContact CD1-CD1 3.87Å; L152-Y178 HydrophobicContact CD1-CD2 4.01Å; L152-Y178 HydrophobicContact CD1-CE1 3.87Å; L152-Y178 HydrophobicContact CD1-CE2 4.03Å; L152-Y178 HydrophobicContact CD1-CG 3.93Å; L152-Y178 HydrophobicContact CD2-CD2 4.46Å; L152-I186 HydrophobicContact CD2-CD1 4.21Å; L152-I186 HydrophobicContact CD2-CG2 4.19Å; L152-V188 HydrophobicContact CD2-CG2 4.31Å; L152-I198 HydrophobicContact CD2-CD1 4.25Å
153L93.5Very high88.8Confident5 Ų545.7 Ų45.73%0.02623%0.234CC..EExtended strand (participates in β ladder)trans-87.3136.5175-177.773.3000109.9I103 I118 S144 C145 I147 L155 P163 L164 E165I103-L153 HydrophobicContact CD1-CD2 4.28Å; I118-L153 HydrophobicContact CG2-CD2 3.78Å; S144-L153 CarbonylContact C-O 3.57Å; S144-L153 WeakPolarHBondContact CA-O 3.16Å; C145-L153 HydrophobicContact CB-CB 4.49Å; C145-L153 PolarHBondContact N-O 3.05Å; C145-L153 WeakPolarHBondContact O-CB 3.16Å; C145-L153 PolarHBondContact O-N 3.47Å; I147-L153 HydrophobicContact CD1-CB 3.52Å; I147-L153 HydrophobicContact CD1-CD1 4.37Å; I147-L153 HydrophobicContact CD1-CD2 3.42Å; I147-L153 VanDerWaalsContact CD1-CD2 3.42Å; I147-L153 HydrophobicContact CD1-CG 3.94Å; I147-L153 HydrophobicContact CG1-CB 4.05Å; L153-L155 HydrophobicContact CD2-CD1 3.63Å; L153-L155 HydrophobicContact CD2-CD2 4.28Å; L153-L155 HydrophobicContact CD2-CG 3.73Å; L153-L155 HydrophobicContact CG-CD1 4.43Å; L153-L155 HydrophobicContact CG-CG 4.06Å; L153-P163 HydrophobicContact CD1-CB 3.53Å; L153-L164 CarbonylContact C-O 3.56Å; L153-L164 WeakPolarHBondContact CA-O 3.29Å; L153-E165 HydrophobicContact CD1-CG 3.62Å
154L91.4Very high88.5Confident2 Ų248.8 Ų48.81%0.0125%0.25CC..EExtended strand (participates in β ladder)trans-120.8118.4169.4-51.2176.9000108.7M130 T142 L152 L164 L166 W180 I186 F205M130-L154 HydrophobicContact CE-CD1 4.18Å; M130-L154 HydrophobicContact SD-CB 4.41Å; M130-L154 HydrophobicContact SD-CD1 4.44Å; T142-L154 HydrophobicContact CG2-CB 4.21Å; L152-L154 HydrophobicContact CD2-CD2 4.46Å; L152-L154 HydrophobicContact CG-CD2 4.33Å; L154-L164 HydrophobicContact CB-CB 4.25Å; L154-L164 PolarHBondContact N-O 3.36Å; L154-L164 PolarHBondContact O-N 3.03Å; L154-L166 HydrophobicContact CD1-CD1 4.23Å; L154-W180 HydrophobicContact CD2-CH2 4.43Å; L154-W180 HydrophobicContact CD2-CZ2 3.89Å; L154-I186 HydrophobicContact CD2-CD1 4.1Å; L154-F205 HydrophobicContact CD1-CE2 4.08Å; L154-F205 HydrophobicContact CD1-CZ 3.96Å
155L90Very high88.3Confident5 Ų552.2 Ų52.23%0.02627%0.266CS..EExtended strand (participates in β ladder)trans-110.1107.6178.8-74163.3000109I103 T116 T142 V143 L153 L157 P163I103-L155 HydrophobicContact CD1-CD1 3.85Å; T116-L155 HydrophobicContact CG2-CD1 4.26Å; T116-L155 HydrophobicContact CG2-CD2 3.92Å; T142-L155 CarbonylContact C-O 3.29Å; T142-L155 WeakPolarHBondContact CA-O 3.21Å; V143-L155 HydrophobicContact CB-CB 4.3Å; V143-L155 PolarHBondContact N-O 3.41Å; V143-L155 WeakPolarHBondContact O-CB 3.37Å; V143-L155 PolarHBondContact O-N 3.21Å; L153-L155 HydrophobicContact CD2-CD1 3.63Å; L153-L155 HydrophobicContact CD2-CD2 4.28Å; L153-L155 HydrophobicContact CD2-CG 3.73Å; L153-L155 HydrophobicContact CG-CD1 4.43Å; L153-L155 HydrophobicContact CG-CG 4.06Å; L155-L157 PolarHBondContact O-N 3.29Å; L155-P163 HydrophobicContact CD2-CB 3.76Å
156N87.3Confident88.1Confident44 Ų4453.5 Ų53.524%0.23527%0.272CS..EExtended strand (participates in β ladder)trans-71.7124.2170.3-172.8-16.6000108.6N158 D159 V160N156-N158 PolarHBondContact O-N 3.19Å; N156-N158 PolarHBondContact OD1-N 3.22Å; N156-D159 HydrophobicContact CB-CB 4.39Å; N156-D159 CarbonylContact O-C 3.48Å; N156-D159 PolarHBondContact O-N 2.75Å; N156-D159 VanDerWaalsContact O-N 3.11Å; N156-D159 VanDerWaalsContact O-O 3.1Å; N156-V160 WeakPolarHBondContact O-CG2 3.14Å; N156-V160 PolarHBondContact O-N 3.49Å
157L84.1Confident87.8Confident19 Ų1957.1 Ų57.110%0.09930%0.303CS..SBendtrans-64.5-24.2177.1-65.7179.9000111.6V105 K114 F127 N141 V143 L155V105-L157 HydrophobicContact CG2-CD2 3.93Å; K114-L157 HydrophobicContact CD-CD2 4.29Å; K114-L157 PolarHBondContact NZ-O 2.86Å; F127-L157 HydrophobicContact CE1-CD1 4.18Å; N141-L157 VanDerWaalsContact O-CB 3.32Å; N141-L157 WeakPolarHBondContact O-CB 3.36Å; N141-L157 WeakPolarHBondContact O-CG 3.2Å; N141-L157 PolarHBondContact O-N 3.39Å; V143-L157 HydrophobicContact CG2-CD2 3.84Å; V143-L157 HydrophobicContact CG2-CG 4.26Å; L155-L157 PolarHBondContact O-N 3.29Å
158N82.3Confident87.8Confident124 Ų12458.3 Ų58.366%0.66331%0.308SS*.SBendtrans-82.8-21.8175.9-63.7-28000112.8N156N156-N158 PolarHBondContact O-N 3.19Å; N156-N158 PolarHBondContact OD1-N 3.22Å
159D81.8Confident87.7Confident65 Ų6564.8 Ų64.835%0.34833%0.326SS..  trans-136.379.6177.9-175.610.5000110.4N156 E161 N162N156-D159 HydrophobicContact CB-CB 4.39Å; N156-D159 CarbonylContact O-C 3.48Å; N156-D159 PolarHBondContact O-N 2.75Å; N156-D159 VanDerWaalsContact O-N 3.11Å; N156-D159 VanDerWaalsContact O-O 3.1Å; D159-E161 VanDerWaalsContact C-N 3.29Å; D159-N162 PolarHBondContact OD1-ND2 3.1Å; D159-N162 PolarHBondContact OD2-ND2 3.27Å
160V79.1Confident87.5Confident40 Ų4070 Ų7024%0.24235%0.352CS..  trans-79.5-17.6-177.3-175.60000111.6K114 T116 N156 N162K114-V160 HydrophobicContact CD-CG2 3.89Å; T116-V160 HydrophobicContact CG2-CG1 4.21Å; T116-V160 WeakPolarHBondContact OG1-CG1 3.44Å; N156-V160 WeakPolarHBondContact O-CG2 3.14Å; N156-V160 PolarHBondContact O-N 3.49Å; V160-N162 VanDerWaalsContact C-N 3.31Å; V160-N162 PolarHBondContact O-N 3.5Å
161E80.5Confident87.5Confident176 Ų17668.5 Ų68.582%0.82235%0.354SS*.SBendtrans-74.5-23.6-177.1-63.2-169.9170.800112.4D159 P163D159-E161 VanDerWaalsContact C-N 3.29Å; E161-P163 WeakPolarHBondContact O-CD 3.38Å
162N83.6Confident87.4Confident105 Ų10565 Ų6556%0.56134%0.339SS*.SBendtrans-117.170.9-178.9-57.7-58.3000112.6D159 V160D159-N162 PolarHBondContact OD1-ND2 3.1Å; D159-N162 PolarHBondContact OD2-ND2 3.27Å; V160-N162 VanDerWaalsContact C-N 3.31Å; V160-N162 PolarHBondContact O-N 3.5Å
163P84.6Confident87.3Confident59 Ų5966 Ų6638%0.38335%0.349SS..  trans-60.9138.9172.919.3-26.7000112.3L153 L155 E161L153-P163 HydrophobicContact CD1-CB 3.53Å; L155-P163 HydrophobicContact CD2-CB 3.76Å; E161-P163 WeakPolarHBondContact O-CD 3.38Å
164L87.9Confident87.3Confident68 Ų6869.2 Ų69.236%0.35637%0.366SS..EExtended strand (participates in β ladder)trans-97.6124.5173.3-63.1166.8000109.9M130 L153 L154 F205M130-L164 HydrophobicContact CE-CD1 3.43Å; M130-L164 VanDerWaalsContact CE-CD1 3.43Å; M130-L164 HydrophobicContact SD-CD1 4.38Å; L153-L164 CarbonylContact C-O 3.56Å; L153-L164 WeakPolarHBondContact CA-O 3.29Å; L154-L164 HydrophobicContact CB-CB 4.25Å; L154-L164 PolarHBondContact N-O 3.36Å; L154-L164 PolarHBondContact O-N 3.03Å; L164-F205 HydrophobicContact CB-CZ 4.33Å; L164-F205 HydrophobicContact CD1-CE1 4.22Å; L164-F205 HydrophobicContact CD1-CE2 4.29Å; L164-F205 HydrophobicContact CD1-CZ 3.7Å
165E89Confident87.4Confident72 Ų7269.2 Ų69.234%0.33637%0.366SS..EExtended strand (participates in β ladder)trans-111.1120.3175.8-70.6-171.5171.700111.1H119 K151 L153H119-E165 IonicContact CD2-OE1 2.61Å; K151-E165 HydrophobicContact CD-CB 4.43Å; K151-E165 VanDerWaalsContact CD-OE2 3.26Å; K151-E165 WeakPolarHBondContact CD-OE2 3.45Å; K151-E165 IonicContact NZ-OE2 3.49Å; K151-E165 PolarHBondContact NZ-OE2 3.37Å; L153-E165 HydrophobicContact CD1-CG 3.62Å
166L90.1Very high87.4Confident27 Ų2770.4 Ų70.414%0.14137%0.372CS..EExtended strand (participates in β ladder)trans-99.2124.4174.1-60.6175.9000109.9K151 L152 L154 F168 I198 F205K151-L166 CarbonylContact C-O 3.58Å; K151-L166 VanDerWaalsContact CA-O 3.24Å; K151-L166 WeakPolarHBondContact CA-O 3.44Å; L152-L166 HydrophobicContact CB-CB 4.41Å; L152-L166 PolarHBondContact N-O 2.76Å; L152-L166 PolarHBondContact O-N 2.97Å; L154-L166 HydrophobicContact CD1-CD1 4.23Å; L166-F168 HydrophobicContact CB-CE2 4.22Å; L166-F168 HydrophobicContact CB-CZ 4.25Å; L166-I198 HydrophobicContact CD1-CD1 3.56Å; L166-F205 HydrophobicContact CD2-CE1 3.92Å; L166-F205 HydrophobicContact CD2-CZ 4.22Å
167A89Confident87.7Confident77 Ų7768.5 Ų68.564%0.63636%0.363SS*.EExtended strand (participates in β ladder)trans-110.1140.717600000110.5K151K151-A167 HydrophobicContact CG-CB 4.39Å
168F90.8Very high88.2Confident32 Ų3267.7 Ų67.714%0.1436%0.359CS..  trans-113.7165.6-174.1-61-88.3000112.2L152 L166 Q170 Y172 L175 V188 F190 I198L152-F168 HydrophobicContact CB-CE2 3.97Å; L166-F168 HydrophobicContact CB-CE2 4.22Å; L166-F168 HydrophobicContact CB-CZ 4.25Å; F168-Q170 PolarHBondContact O-N 2.84Å; F168-Y172 HydrophobicContact CB-CD2 4.47Å; F168-L175 HydrophobicContact CD2-CD1 3.97Å; F168-L175 HydrophobicContact CD2-CD2 3.9Å; F168-L175 HydrophobicContact CD2-CG 4.32Å; F168-L175 HydrophobicContact CE2-CD2 3.83Å; F168-V188 HydrophobicContact CE1-CG2 4.47Å; F168-V188 HydrophobicContact CE2-CG1 4.44Å; F168-V188 HydrophobicContact CZ-CG1 4.31Å; F168-V188 HydrophobicContact CZ-CG2 4.05Å; F168-F190 HydrophobicContact CB-CE1 3.64Å; F168-F190 HydrophobicContact CB-CZ 3.83Å; F168-F190 HydrophobicContact CD1-CE1 4.34Å; F168-F190 AromaticContact CD1-CZ 3.69Å; F168-F190 HydrophobicContact CD1-CZ 3.69Å; F168-F190 HydrophobicContact CD2-CE1 4.2Å; F168-F190 HydrophobicContact CD2-CZ 4.17Å; F168-F190 HydrophobicContact CE1-CZ 4.26Å; F168-F190 AromaticContact CG-CE1 3.81Å; F168-F190 HydrophobicContact CG-CE1 3.81Å; F168-F190 AromaticContact CG-CZ 3.62Å; F168-F190 HydrophobicContact CG-CZ 3.62Å; F168-I198 HydrophobicContact CE1-CG2 4.05Å; F168-I198 HydrophobicContact CZ-CD1 4.21Å
169R87.6Confident88.7Confident153 Ų15364.4 Ų64.458%0.57734%0.339SS*.  trans-65.5131.8178-62.4-179.6-179167.7-2.3110.4V171 Y172R169-V171 PolarHBondContact O-N 3.04Å; R169-V171 VanDerWaalsContact O-N 3.07Å; R169-Y172 HydrophobicContact CB-CD2 4.16Å; R169-Y172 HydrophobicContact CB-CE2 3.94Å; R169-Y172 HydrophobicContact CG-CE2 4.32Å; R169-Y172 PolarHBondContact O-N 3.45Å; R169-Y172 VanDerWaalsContact O-N 3.15Å
170Q86.9Confident89.1Confident178 Ų17862.8 Ų62.883%0.83233%0.328SS*.G310 helixtrans-61-21.4179.4-68.4-174.6-1.300113.8F168 Y172 G173F168-Q170 PolarHBondContact O-N 2.84Å; Q170-Y172 PolarHBondContact O-N 3Å; Q170-G173 PolarHBondContact O-N 3.18Å
171V90.6Very high89.5Confident106 Ų10661.8 Ų61.864%0.64232%0.32SS*.G310 helixtrans-61.2-28.2178.3-177.90000112.2R169 G173R169-V171 PolarHBondContact O-N 3.04Å; R169-V171 VanDerWaalsContact O-N 3.07Å; V171-G173 VanDerWaalsContact C-N 3.28Å; V171-G173 PolarHBondContact O-N 3.19Å
172Y91.7Very high89.1Confident8 Ų855.6 Ų55.63%0.03130%0.304CS..G310 helixtrans-74.2-22.1177.8-52-31.9000112.1F168 R169 Q170 F190 S192 Y194 V196 E208 Q211F168-Y172 HydrophobicContact CB-CD2 4.47Å; R169-Y172 HydrophobicContact CB-CD2 4.16Å; R169-Y172 HydrophobicContact CB-CE2 3.94Å; R169-Y172 HydrophobicContact CG-CE2 4.32Å; R169-Y172 PolarHBondContact O-N 3.45Å; R169-Y172 VanDerWaalsContact O-N 3.15Å; Q170-Y172 PolarHBondContact O-N 3Å; Y172-F190 VanDerWaalsContact CB-CG 3.47Å; Y172-F190 HydrophobicContact CD2-CD1 4.49Å; Y172-F190 HydrophobicContact CD2-CD2 4.38Å; Y172-F190 HydrophobicContact CD2-CE1 4.14Å; Y172-F190 HydrophobicContact CD2-CE2 4.06Å; Y172-F190 AromaticContact CD2-CZ 3.93Å; Y172-F190 HydrophobicContact CD2-CZ 3.93Å; Y172-F190 HydrophobicContact CG-CD2 4.4Å; Y172-F190 HydrophobicContact CG-CG 4.43Å; Y172-F190 WeakPolarHBondContact O-CB 3.19Å; Y172-S192 WeakPolarHBondContact O-CB 3.21Å; Y172-S192 PolarHBondContact O-N 3.34Å; Y172-S192 PolarHBondContact O-OG 2.98Å; Y172-S192 VanDerWaalsContact O-OG 3.12Å; Y172-Y194 AromaticContact CD1-CD1 3.74Å; Y172-Y194 HydrophobicContact CD1-CD1 3.74Å; Y172-Y194 HydrophobicContact CD1-CD2 4.34Å; Y172-Y194 HydrophobicContact CD1-CE1 4.09Å; Y172-Y194 AromaticContact CD1-CG 3.88Å; Y172-Y194 HydrophobicContact CD1-CG 3.88Å; Y172-Y194 HydrophobicContact CE1-CD1 4.13Å; Y172-Y194 HydrophobicContact CE1-CE1 4.31Å; Y172-Y194 HydrophobicContact CG-CG 4.44Å; Y172-V196 HydrophobicContact CD2-CG2 4.12Å; Y172-V196 HydrophobicContact CE2-CG2 3.87Å; Y172-E208 PolarHBondContact OH-OE2 3.42Å; Y172-Q211 PolarHBondContact OH-OE1 3.05Å
173G91.6Very high88.6Confident21 Ų2156.3 Ų56.322%0.21631%0.308CS..  trans91.7-166.8-173.800000113.3Q170 V171Q170-G173 PolarHBondContact O-N 3.18Å; V171-G173 VanDerWaalsContact C-N 3.28Å; V171-G173 PolarHBondContact O-N 3.19Å
174D92.4Very high88.3Confident72 Ų7253.7 Ų53.739%0.38529%0.292SS..SBendtrans-64.5140.9175.4-73.7-7.2000111.6K149 F190 S191K149-D174 HydrophobicContact CB-CB 4.08Å; K149-D174 WeakPolarHBondContact O-CA 3.23Å; D174-F190 CarbonylContact O-C 3.52Å; D174-F190 VanDerWaalsContact O-CA 3.32Å; D174-F190 WeakPolarHBondContact O-CA 3.46Å; D174-S191 PolarHBondContact N-OG 2.66Å; D174-S191 PolarHBondContact O-N 3.01Å; D174-S191 PolarHBondContact O-OG 3Å
175L94Very high88.3Confident3 Ų354 Ų542%0.01629%0.288CS..EExtended strand (participates in β ladder)trans-69132.2170.3-77.173.6000109.8I146 K149 K150 L152 F168 V188 F190I146-L175 HydrophobicContact CD1-CB 4.05Å; I146-L175 HydrophobicContact CD1-CD2 4.49Å; I146-L175 HydrophobicContact CG1-CB 4.44Å; I146-L175 HydrophobicContact CG1-CD2 4.2Å; I146-L175 HydrophobicContact CG2-CB 3.97Å; I146-L175 HydrophobicContact CG2-CD2 4.42Å; K149-L175 PolarHBondContact O-N 3.01Å; K150-L175 WeakPolarHBondContact O-CD1 3.4Å; L152-L175 HydrophobicContact CB-CD2 4.33Å; F168-L175 HydrophobicContact CD2-CD1 3.97Å; F168-L175 HydrophobicContact CD2-CD2 3.9Å; F168-L175 HydrophobicContact CD2-CG 4.32Å; F168-L175 HydrophobicContact CE2-CD2 3.83Å; L175-V188 HydrophobicContact CD2-CG1 3.93Å; L175-V188 HydrophobicContact CG-CG1 4.05Å; L175-F190 HydrophobicContact CD1-CD1 3.92Å; L175-F190 HydrophobicContact CD1-CE1 3.5Å; L175-F190 VanDerWaalsContact CD1-CE1 3.5Å; L175-F190 HydrophobicContact CG-CD1 4.04Å; L175-F190 HydrophobicContact CG-CE1 3.67Å; L175-F190 HydrophobicContact CG-CZ 4.4Å
176I91.4Very high88.4Confident29 Ų2950.5 Ų50.515%0.14927%0.272CS..EExtended strand (participates in β ladder)trans-111.9-51-176.9-62.8179.6000111.6G189 L219 H220I176-G189 PolarHBondContact N-O 3.37Å; I176-L219 WeakPolarHBondContact CD1-O 3.38Å; I176-H220 WeakPolarHBondContact CG2-O 3.34Å
177A92Very high88.6Confident5 Ų549.2 Ų49.24%0.04127%0.266CS..EExtended strand (participates in β ladder)trans-147.5159-174.700000110.1G189 D221 I222A177-G189 PolarHBondContact O-N 3.39Å; A177-D221 WeakPolarHBondContact CB-OD1 3.4Å; A177-I222 HydrophobicContact CB-CB 4.43Å
178Y94.6Very high88.9Confident2 Ų245.6 Ų45.61%0.00824%0.235CC..EExtended strand (participates in β ladder)trans-153.4155.3171.976.9-78000110.2D126 S144 I146 L152 W180 I186 M187D126-Y178 HydrophobicContact CB-CE2 4.2Å; D126-Y178 WeakPolarHBondContact CB-OH 3.22Å; D126-Y178 PolarHBondContact N-OH 3.38Å; S144-Y178 VanDerWaalsContact CB-OH 3.23Å; S144-Y178 WeakPolarHBondContact CB-OH 3.08Å; S144-Y178 PolarHBondContact O-OH 3.19Å; S144-Y178 WeakPolarHBondContact OG-CE2 3.43Å; S144-Y178 PolarHBondContact OG-OH 2.9Å; I146-Y178 HydrophobicContact CD1-CD1 3.63Å; I146-Y178 HydrophobicContact CD1-CE1 4.31Å; I146-Y178 HydrophobicContact CG1-CD1 3.62Å; I146-Y178 HydrophobicContact CG1-CE1 3.97Å; L152-Y178 HydrophobicContact CD1-CD1 3.87Å; L152-Y178 HydrophobicContact CD1-CD2 4.01Å; L152-Y178 HydrophobicContact CD1-CE1 3.87Å; L152-Y178 HydrophobicContact CD1-CE2 4.03Å; L152-Y178 HydrophobicContact CD1-CG 3.93Å; L152-Y178 HydrophobicContact CD2-CD2 4.46Å; Y178-W180 AromaticContact CE2-NE1 3.91Å; Y178-I186 HydrophobicContact CD2-CG2 3.75Å; Y178-I186 HydrophobicContact CG-CG2 4.47Å; Y178-M187 CarbonylContact C-O 3.49Å; Y178-M187 WeakPolarHBondContact CA-O 3.44Å; Y178-M187 VanDerWaalsContact CB-O 3.26Å; Y178-M187 WeakPolarHBondContact CB-O 3.27Å
179H93.3Very high89Confident54 Ų5444 Ų4425%0.2523%0.229CC..EExtended strand (participates in β ladder)trans-144.7140.9176.5-80.6-67000111.9I186 M187 I222 V224H179-I186 WeakPolarHBondContact O-CA 3.48Å; H179-M187 PolarHBondContact N-O 2.58Å; H179-M187 PolarHBondContact O-N 2.94Å; H179-I222 PolarHBondContact CD2-O 3.45Å; H179-I222 PolarHBondContact NE2-O 2.72Å; H179-I222 VanDerWaalsContact NE2-O 3.08Å; H179-V224 HydrophobicContact CB-CB 3.99Å; H179-V224 HydrophobicContact CB-CG2 3.67Å
180W89.9Confident89.4Confident31 Ų3136.8 Ų36.812%0.11720%0.201CC..EExtended strand (participates in β ladder)trans-74.9138.4168.5-68.187.5000110.5R129 M130 S144 L154 Y178 Y185 I186 T200R129-W180 VanDerWaalsContact O-CZ3 3.24Å; R129-W180 WeakPolarHBondContact O-CZ3 3.23Å; M130-W180 HydrophobicContact CG-CH2 3.93Å; S144-W180 PolarHBondContact OG-NE1 3.02Å; L154-W180 HydrophobicContact CD2-CH2 4.43Å; L154-W180 HydrophobicContact CD2-CZ2 3.89Å; Y178-W180 AromaticContact CE2-NE1 3.91Å; W180-Y185 WeakPolarHBondContact CA-O 3.47Å; W180-I186 HydrophobicContact CD2-CD1 4.11Å; W180-I186 HydrophobicContact CD2-CG1 3.75Å; W180-I186 HydrophobicContact CE3-CD1 4.1Å; W180-I186 HydrophobicContact CE3-CG1 3.61Å; W180-I186 HydrophobicContact CG-CG1 4.45Å; W180-I186 HydrophobicContact CH2-CD1 3.65Å; W180-I186 HydrophobicContact CH2-CG1 4.11Å; W180-I186 HydrophobicContact CZ2-CD1 3.63Å; W180-I186 HydrophobicContact CZ2-CG1 4.21Å; W180-I186 HydrophobicContact CZ3-CD1 3.87Å; W180-I186 HydrophobicContact CZ3-CG1 3.8Å; W180-T200 HydrophobicContact CH2-CG2 3.97Å; W180-T200 HydrophobicContact CZ3-CG2 3.76Å
181F87.4Confident89.7Confident19 Ų1930.1 Ų30.18%0.08317%0.174CC..EExtended strand (participates in β ladder)trans-158.2153.4175.380-81.9000111.2Y185 M187 V197 V224 L244 I247F181-Y185 PolarHBondContact N-O 3.22Å; F181-Y185 CarbonylContact O-C 3.49Å; F181-Y185 WeakPolarHBondContact O-CA 3.39Å; F181-Y185 WeakPolarHBondContact O-CB 3.28Å; F181-Y185 PolarHBondContact O-N 3.26Å; F181-Y185 VanDerWaalsContact O-N 3.16Å; F181-M187 HydrophobicContact CD1-CB 3.98Å; F181-M187 HydrophobicContact CE1-CB 3.78Å; F181-M187 HydrophobicContact CE1-CE 4.17Å; F181-M187 HydrophobicContact CZ-CE 4.38Å; F181-V197 HydrophobicContact CE1-CG1 3.84Å; F181-V197 HydrophobicContact CE1-CG2 4.16Å; F181-V197 HydrophobicContact CZ-CB 4.43Å; F181-V197 HydrophobicContact CZ-CG1 3.56Å; F181-V197 HydrophobicContact CZ-CG2 3.97Å; F181-V224 HydrophobicContact CB-CG1 3.76Å; F181-L244 HydrophobicContact CB-CD1 4.21Å; F181-L244 HydrophobicContact CD2-CB 4.32Å; F181-L244 HydrophobicContact CD2-CD1 3.91Å; F181-L244 HydrophobicContact CD2-CD2 3.75Å; F181-L244 HydrophobicContact CD2-CG 4.22Å; F181-L244 HydrophobicContact CE2-CB 4.45Å; F181-L244 HydrophobicContact CE2-CD2 3.8Å; F181-L244 HydrophobicContact CG-CD1 4.29Å; F181-L244 HydrophobicContact CG-CD2 4.25Å; F181-L244 HydrophobicContact CZ-CD2 4.34Å; F181-I247 HydrophobicContact CZ-CD1 4.38Å
182G72.8Confident89.8Confident47 Ų4726.9 Ų26.949%0.48516%0.157SC..THydrogen-bonded Turntrans57165.6-171.200000111.9G184G182-G184 VanDerWaalsContact C-N 3.26Å; G182-G184 PolarHBondContact O-N 3.22Å
183D72.7Confident89.8Confident120 Ų12026.5 Ų26.564%0.64216%0.155SC*.THydrogen-bonded Turntrans-70.184.2-179.8-75.4-18.7000111.4
184G77.9Confident89.9Confident4 Ų427.9 Ų27.94%0.04115%0.154CC..THydrogen-bonded Turntrans100.723.6174.100000116.3G182 T200G182-G184 VanDerWaalsContact C-N 3.26Å; G182-G184 PolarHBondContact O-N 3.22Å; G184-T200 WeakPolarHBondContact CA-OG1 3.49Å; G184-T200 WeakPolarHBondContact O-CA 3.02Å; G184-T200 WeakPolarHBondContact O-CB 2.84Å; G184-T200 PolarHBondContact O-N 3.12Å; G184-T200 PolarHBondContact O-OG1 3.31Å
185Y87.9Confident90Very high73 Ų7324.4 Ų24.429%0.28614%0.136SC..EExtended strand (participates in β ladder)trans-108.5152.6170.7-51.9-77.6000112.5W180 F181 I198 I209W180-Y185 WeakPolarHBondContact CA-O 3.47Å; F181-Y185 PolarHBondContact N-O 3.22Å; F181-Y185 CarbonylContact O-C 3.49Å; F181-Y185 WeakPolarHBondContact O-CA 3.39Å; F181-Y185 WeakPolarHBondContact O-CB 3.28Å; F181-Y185 PolarHBondContact O-N 3.26Å; F181-Y185 VanDerWaalsContact O-N 3.16Å; Y185-I198 WeakPolarHBondContact CA-O 3.41Å; Y185-I209 HydrophobicContact CD1-CD1 3.49Å; Y185-I209 VanDerWaalsContact CD1-CD1 3.49Å; Y185-I209 HydrophobicContact CE1-CD1 3.3Å
186I92Very high90Very high0 Ų024.3 Ų24.30%014%0.135CC..EExtended strand (participates in β ladder)trans-128.7128.8174-51.4173.8000108.7L152 L154 Y178 H179 W180 V188 V197 I198 T200L152-I186 HydrophobicContact CD2-CD1 4.21Å; L152-I186 HydrophobicContact CD2-CG2 4.19Å; L154-I186 HydrophobicContact CD2-CD1 4.1Å; Y178-I186 HydrophobicContact CD2-CG2 3.75Å; Y178-I186 HydrophobicContact CG-CG2 4.47Å; H179-I186 WeakPolarHBondContact O-CA 3.48Å; W180-I186 HydrophobicContact CD2-CD1 4.11Å; W180-I186 HydrophobicContact CD2-CG1 3.75Å; W180-I186 HydrophobicContact CE3-CD1 4.1Å; W180-I186 HydrophobicContact CE3-CG1 3.61Å; W180-I186 HydrophobicContact CG-CG1 4.45Å; W180-I186 HydrophobicContact CH2-CD1 3.65Å; W180-I186 HydrophobicContact CH2-CG1 4.11Å; W180-I186 HydrophobicContact CZ2-CD1 3.63Å; W180-I186 HydrophobicContact CZ2-CG1 4.21Å; W180-I186 HydrophobicContact CZ3-CD1 3.87Å; W180-I186 HydrophobicContact CZ3-CG1 3.8Å; I186-V188 HydrophobicContact CG2-CG2 4.03Å; I186-V197 CarbonylContact O-C 3.56Å; I186-V197 WeakPolarHBondContact O-CA 3.37Å; I186-I198 HydrophobicContact CB-CD1 4.04Å; I186-I198 HydrophobicContact CB-CG1 3.7Å; I186-I198 HydrophobicContact CD1-CD1 4.19Å; I186-I198 HydrophobicContact CG1-CG1 4.47Å; I186-I198 PolarHBondContact N-O 3.48Å; I186-I198 WeakPolarHBondContact O-CG1 3.24Å; I186-I198 PolarHBondContact O-N 2.82Å; I186-T200 HydrophobicContact CD1-CG2 3.61Å; I186-T200 HydrophobicContact CG1-CG2 3.87Å
187M93.4Very high90.1Very high0 Ų023.2 Ų23.20%013%0.13CC..EExtended strand (participates in β ladder)trans-94131.2169.3-174.3173.7-60.600109.4Y178 H179 F181 F195 V196 V197 I222 C231 L244 I247Y178-M187 CarbonylContact C-O 3.49Å; Y178-M187 WeakPolarHBondContact CA-O 3.44Å; Y178-M187 VanDerWaalsContact CB-O 3.26Å; Y178-M187 WeakPolarHBondContact CB-O 3.27Å; H179-M187 PolarHBondContact N-O 2.58Å; H179-M187 PolarHBondContact O-N 2.94Å; F181-M187 HydrophobicContact CD1-CB 3.98Å; F181-M187 HydrophobicContact CE1-CB 3.78Å; F181-M187 HydrophobicContact CE1-CE 4.17Å; F181-M187 HydrophobicContact CZ-CE 4.38Å; M187-F195 HydrophobicContact CE-CD2 4.42Å; M187-F195 HydrophobicContact CE-CE2 4.2Å; M187-F195 HydrophobicContact CG-CD2 3.96Å; M187-F195 HydrophobicContact SD-CD2 3.94Å; M187-F195 HydrophobicContact SD-CE2 4.2Å; M187-V196 CarbonylContact C-O 3.45Å; M187-V196 WeakPolarHBondContact CA-O 3.39Å; M187-V197 HydrophobicContact CE-CG2 4.24Å; M187-I222 HydrophobicContact CG-CD1 4.26Å; M187-I222 HydrophobicContact CG-CG2 4.39Å; M187-I222 HydrophobicContact SD-CD1 4.41Å; M187-I222 HydrophobicContact SD-CG2 3.75Å; M187-C231 HydrophobicContact CE-CB 3.8Å; M187-C231 VanDerWaalsContact CE-SG 3.57Å; M187-C231 HydrophobicContact SD-CB 3.88Å; M187-L244 HydrophobicContact CE-CD2 3.69Å; M187-I247 HydrophobicContact CE-CD1 3.25Å; M187-I247 HydrophobicContact CE-CG1 4.33Å
188V95.2Very high90.1Very high0 Ų023 Ų230%013%0.128CC..EExtended strand (participates in β ladder)trans-125.9126.4-176-172.60000109.5L152 F168 L175 I186 F190 F195 V196 I198L152-V188 HydrophobicContact CD2-CG2 4.31Å; F168-V188 HydrophobicContact CE1-CG2 4.47Å; F168-V188 HydrophobicContact CE2-CG1 4.44Å; F168-V188 HydrophobicContact CZ-CG1 4.31Å; F168-V188 HydrophobicContact CZ-CG2 4.05Å; L175-V188 HydrophobicContact CD2-CG1 3.93Å; L175-V188 HydrophobicContact CG-CG1 4.05Å; I186-V188 HydrophobicContact CG2-CG2 4.03Å; V188-F190 HydrophobicContact CB-CE2 4.05Å; V188-F190 HydrophobicContact CB-CZ 4.23Å; V188-F190 HydrophobicContact CG1-CE1 4.27Å; V188-F190 HydrophobicContact CG1-CE2 3.79Å; V188-F190 HydrophobicContact CG1-CZ 3.62Å; V188-F190 WeakPolarHBondContact O-CE2 3.47Å; V188-F195 CarbonylContact O-C 3.54Å; V188-F195 WeakPolarHBondContact O-CA 3.31Å; V188-F195 WeakPolarHBondContact O-CB 3.47Å; V188-V196 PolarHBondContact N-O 3.33Å; V188-V196 PolarHBondContact O-N 3.35Å; V188-I198 HydrophobicContact CG2-CD1 4.29Å; V188-I198 HydrophobicContact CG2-CG1 4.42Å
189G94.3Very high89.8Confident0 Ų023 Ų230%013%0.128CC..EExtended strand (participates in β ladder)trans-105141.8-179.700000113.6I176 A177I176-G189 PolarHBondContact N-O 3.37Å; A177-G189 PolarHBondContact O-N 3.39Å
190F95.6Very high89.3Confident0 Ų020.4 Ų20.40%012%0.116CC..EExtended strand (participates in β ladder)trans-129.4146.1-175.5-54.1-98000113.6F168 Y172 D174 L175 V188 S192 G193 Y194 V196 L219F168-F190 HydrophobicContact CB-CE1 3.64Å; F168-F190 HydrophobicContact CB-CZ 3.83Å; F168-F190 HydrophobicContact CD1-CE1 4.34Å; F168-F190 AromaticContact CD1-CZ 3.69Å; F168-F190 HydrophobicContact CD1-CZ 3.69Å; F168-F190 HydrophobicContact CD2-CE1 4.2Å; F168-F190 HydrophobicContact CD2-CZ 4.17Å; F168-F190 HydrophobicContact CE1-CZ 4.26Å; F168-F190 AromaticContact CG-CE1 3.81Å; F168-F190 HydrophobicContact CG-CE1 3.81Å; F168-F190 AromaticContact CG-CZ 3.62Å; F168-F190 HydrophobicContact CG-CZ 3.62Å; Y172-F190 VanDerWaalsContact CB-CG 3.47Å; Y172-F190 HydrophobicContact CD2-CD1 4.49Å; Y172-F190 HydrophobicContact CD2-CD2 4.38Å; Y172-F190 HydrophobicContact CD2-CE1 4.14Å; Y172-F190 HydrophobicContact CD2-CE2 4.06Å; Y172-F190 AromaticContact CD2-CZ 3.93Å; Y172-F190 HydrophobicContact CD2-CZ 3.93Å; Y172-F190 HydrophobicContact CG-CD2 4.4Å; Y172-F190 HydrophobicContact CG-CG 4.43Å; Y172-F190 WeakPolarHBondContact O-CB 3.19Å; D174-F190 CarbonylContact O-C 3.52Å; D174-F190 VanDerWaalsContact O-CA 3.32Å; D174-F190 WeakPolarHBondContact O-CA 3.46Å; L175-F190 HydrophobicContact CD1-CD1 3.92Å; L175-F190 HydrophobicContact CD1-CE1 3.5Å; L175-F190 VanDerWaalsContact CD1-CE1 3.5Å; L175-F190 HydrophobicContact CG-CD1 4.04Å; L175-F190 HydrophobicContact CG-CE1 3.67Å; L175-F190 HydrophobicContact CG-CZ 4.4Å; V188-F190 HydrophobicContact CB-CE2 4.05Å; V188-F190 HydrophobicContact CB-CZ 4.23Å; V188-F190 HydrophobicContact CG1-CE1 4.27Å; V188-F190 HydrophobicContact CG1-CE2 3.79Å; V188-F190 HydrophobicContact CG1-CZ 3.62Å; V188-F190 WeakPolarHBondContact O-CE2 3.47Å; F190-S192 VanDerWaalsContact C-N 3.26Å; F190-S192 PolarHBondContact O-N 3.03Å; F190-S192 VanDerWaalsContact O-N 3.11Å; F190-G193 PolarHBondContact O-N 3.07Å; F190-Y194 PolarHBondContact N-O 2.89Å; F190-Y194 PolarHBondContact O-N 3.46Å; F190-V196 HydrophobicContact CD2-CG2 4.26Å; F190-V196 HydrophobicContact CE2-CB 3.92Å; F190-V196 HydrophobicContact CE2-CG2 3.6Å; F190-V196 HydrophobicContact CZ-CG2 4.42Å; F190-L219 WeakPolarHBondContact O-CB 3.41Å
191S93Very high88.8Confident38 Ų3821.4 Ų21.427%0.26612%0.122SC..THydrogen-bonded Turntrans-57.2-24.8-174.953.80000116.8D174 G193 S218D174-S191 PolarHBondContact N-OG 2.66Å; D174-S191 PolarHBondContact O-N 3.01Å; D174-S191 PolarHBondContact O-OG 3Å; S191-G193 PolarHBondContact O-N 2.81Å; S191-S218 WeakPolarHBondContact O-CA 3.48Å
192S92.2Very high88.1Confident39 Ų3924.4 Ų24.427%0.27315%0.146SC..THydrogen-bonded Turntrans-84.114.6177.6-49.90000113.3Y172 F190 R213Y172-S192 WeakPolarHBondContact O-CB 3.21Å; Y172-S192 PolarHBondContact O-N 3.34Å; Y172-S192 PolarHBondContact O-OG 2.98Å; Y172-S192 VanDerWaalsContact O-OG 3.12Å; F190-S192 VanDerWaalsContact C-N 3.26Å; F190-S192 PolarHBondContact O-N 3.03Å; F190-S192 VanDerWaalsContact O-N 3.11Å; S192-R213 PolarHBondContact O-NE 2.79Å; S192-R213 VanDerWaalsContact O-NE 3.09Å
193G91.7Very high88.2Confident0 Ų026.9 Ų26.90%016%0.155CC..THydrogen-bonded Turntrans91.110.9176.400000115F190 S191 R213 D214 H215F190-G193 PolarHBondContact O-N 3.07Å; S191-G193 PolarHBondContact O-N 2.81Å; G193-R213 CarbonylContact O-C 3.57Å; G193-R213 WeakPolarHBondContact O-CA 3.38Å; G193-D214 PolarHBondContact O-N 3.34Å; G193-D214 VanDerWaalsContact O-N 3.07Å; G193-H215 CarbonylContact C-O 3.58Å; G193-H215 WeakPolarHBondContact CA-O 3.37Å; G193-H215 PolarHBondContact O-N 3.35Å; G193-H215 VanDerWaalsContact O-N 3.16Å
194Y94.7Very high88.3Confident49 Ų4924.2 Ų24.219%0.19214%0.139CC..EExtended strand (participates in β ladder)trans-92.4147.6180-70.9-101.5000111.4Y172 F190 I212 R213 L219Y172-Y194 AromaticContact CD1-CD1 3.74Å; Y172-Y194 HydrophobicContact CD1-CD1 3.74Å; Y172-Y194 HydrophobicContact CD1-CD2 4.34Å; Y172-Y194 HydrophobicContact CD1-CE1 4.09Å; Y172-Y194 AromaticContact CD1-CG 3.88Å; Y172-Y194 HydrophobicContact CD1-CG 3.88Å; Y172-Y194 HydrophobicContact CE1-CD1 4.13Å; Y172-Y194 HydrophobicContact CE1-CE1 4.31Å; Y172-Y194 HydrophobicContact CG-CG 4.44Å; F190-Y194 PolarHBondContact N-O 2.89Å; F190-Y194 PolarHBondContact O-N 3.46Å; Y194-I212 CarbonylContact C-O 3.59Å; Y194-I212 VanDerWaalsContact CA-O 3.23Å; Y194-I212 WeakPolarHBondContact CA-O 2.97Å; Y194-R213 HydrophobicContact CD1-CB 3.8Å; Y194-R213 HydrophobicContact CD1-CG 4.43Å; Y194-R213 HydrophobicContact CD2-CB 4.18Å; Y194-R213 HydrophobicContact CD2-CG 3.91Å; Y194-R213 HydrophobicContact CE1-CB 3.56Å; Y194-R213 HydrophobicContact CE1-CG 4.25Å; Y194-R213 HydrophobicContact CE2-CB 3.95Å; Y194-R213 HydrophobicContact CE2-CG 3.67Å; Y194-R213 HydrophobicContact CG-CB 4.1Å; Y194-R213 HydrophobicContact CG-CG 4.27Å; Y194-L219 WeakPolarHBondContact O-CD2 3.32Å
195F94.1Very high88.5Confident0 Ų027.4 Ų27.40%015%0.152CC..EExtended strand (participates in β ladder)trans-130.3151.5153.876.6-96.6000110.6M187 V188 Y210 I212 D214 L219 I222 T233 H242 I247M187-F195 HydrophobicContact CE-CD2 4.42Å; M187-F195 HydrophobicContact CE-CE2 4.2Å; M187-F195 HydrophobicContact CG-CD2 3.96Å; M187-F195 HydrophobicContact SD-CD2 3.94Å; M187-F195 HydrophobicContact SD-CE2 4.2Å; V188-F195 CarbonylContact O-C 3.54Å; V188-F195 WeakPolarHBondContact O-CA 3.31Å; V188-F195 WeakPolarHBondContact O-CB 3.47Å; F195-Y210 AromaticContact CE2-CD1 3.93Å; F195-Y210 HydrophobicContact CE2-CD1 3.93Å; F195-Y210 AromaticContact CE2-CE1 3.82Å; F195-Y210 HydrophobicContact CE2-CE1 3.82Å; F195-Y210 HydrophobicContact CZ-CD1 4.44Å; F195-Y210 AromaticContact CZ-CE1 3.87Å; F195-Y210 HydrophobicContact CZ-CE1 3.87Å; F195-I212 HydrophobicContact CD1-CG2 3.66Å; F195-I212 HydrophobicContact CD2-CG2 4.33Å; F195-I212 HydrophobicContact CE1-CG2 3.21Å; F195-I212 HydrophobicContact CE2-CG2 3.93Å; F195-I212 HydrophobicContact CG-CG2 4.21Å; F195-I212 HydrophobicContact CZ-CG2 3.37Å; F195-I212 PolarHBondContact N-O 2.61Å; F195-I212 PolarHBondContact O-N 3.42Å; F195-I212 VanDerWaalsContact O-N 3.09Å; F195-D214 HydrophobicContact CD1-CB 4.31Å; F195-D214 HydrophobicContact CE1-CB 4.04Å; F195-L219 HydrophobicContact CB-CD2 4.47Å; F195-I222 HydrophobicContact CB-CD1 3.7Å; F195-T233 HydrophobicContact CD1-CG2 4.1Å; F195-T233 HydrophobicContact CE1-CG2 4.29Å; F195-H242 AromaticContact CE1-CE1 3.8Å; F195-H242 AromaticContact CZ-CE1 3.86Å; F195-H242 AromaticContact CZ-ND1 3.83Å; F195-I247 HydrophobicContact CE2-CD1 4.06Å; F195-I247 HydrophobicContact CE2-CG1 3.99Å; F195-I247 HydrophobicContact CZ-CG1 4.19Å
196V94.3Very high87.7Confident0 Ų025.2 Ų25.20%015%0.152CC..EExtended strand (participates in β ladder)trans-132144-175.3179.70000109Y172 M187 V188 F190 I198 E208 Y210 Q211Y172-V196 HydrophobicContact CD2-CG2 4.12Å; Y172-V196 HydrophobicContact CE2-CG2 3.87Å; M187-V196 CarbonylContact C-O 3.45Å; M187-V196 WeakPolarHBondContact CA-O 3.39Å; V188-V196 PolarHBondContact N-O 3.33Å; V188-V196 PolarHBondContact O-N 3.35Å; F190-V196 HydrophobicContact CD2-CG2 4.26Å; F190-V196 HydrophobicContact CE2-CB 3.92Å; F190-V196 HydrophobicContact CE2-CG2 3.6Å; F190-V196 HydrophobicContact CZ-CG2 4.42Å; V196-I198 HydrophobicContact CG1-CG2 4.2Å; V196-E208 HydrophobicContact CG1-CB 3.82Å; V196-E208 HydrophobicContact CG1-CG 3.66Å; V196-Y210 CarbonylContact C-O 3.47Å; V196-Y210 VanDerWaalsContact CA-O 3.26Å; V196-Y210 WeakPolarHBondContact CA-O 3.18Å; V196-Y210 WeakPolarHBondContact CG1-O 3.49Å; V196-Q211 HydrophobicContact CG2-CB 4.1Å
197V92.9Very high87.3Confident7 Ų730.8 Ų30.84%0.04218%0.176CC..EExtended strand (participates in β ladder)trans-108.9129.2171.9176.70000109.1F181 I186 M187 E208 I209 Y210 I247F181-V197 HydrophobicContact CE1-CG1 3.84Å; F181-V197 HydrophobicContact CE1-CG2 4.16Å; F181-V197 HydrophobicContact CZ-CB 4.43Å; F181-V197 HydrophobicContact CZ-CG1 3.56Å; F181-V197 HydrophobicContact CZ-CG2 3.97Å; I186-V197 CarbonylContact O-C 3.56Å; I186-V197 WeakPolarHBondContact O-CA 3.37Å; M187-V197 HydrophobicContact CE-CG2 4.24Å; V197-E208 CarbonylContact O-C 3.55Å; V197-E208 WeakPolarHBondContact O-CA 3.25Å; V197-I209 PolarHBondContact O-N 2.81Å; V197-Y210 HydrophobicContact CG2-CD1 4.42Å; V197-Y210 PolarHBondContact N-O 3.4Å; V197-Y210 PolarHBondContact O-N 2.98Å; V197-I247 HydrophobicContact CG2-CD1 3.58Å
198I91.9Very high87Confident1 Ų133.5 Ų33.51%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-118.4147.7177.357.9169.4000111.7L152 L166 F168 Y185 I186 V188 V196 K207 E208L152-I198 HydrophobicContact CD2-CD1 4.25Å; L166-I198 HydrophobicContact CD1-CD1 3.56Å; F168-I198 HydrophobicContact CE1-CG2 4.05Å; F168-I198 HydrophobicContact CZ-CD1 4.21Å; Y185-I198 WeakPolarHBondContact CA-O 3.41Å; I186-I198 HydrophobicContact CB-CD1 4.04Å; I186-I198 HydrophobicContact CB-CG1 3.7Å; I186-I198 HydrophobicContact CD1-CD1 4.19Å; I186-I198 HydrophobicContact CG1-CG1 4.47Å; I186-I198 PolarHBondContact N-O 3.48Å; I186-I198 WeakPolarHBondContact O-CG1 3.24Å; I186-I198 PolarHBondContact O-N 2.82Å; V188-I198 HydrophobicContact CG2-CD1 4.29Å; V188-I198 HydrophobicContact CG2-CG1 4.42Å; V196-I198 HydrophobicContact CG1-CG2 4.2Å; I198-K207 WeakPolarHBondContact CA-O 3.16Å; I198-E208 HydrophobicContact CG2-CG 4.19Å
199S87.8Confident86.6Confident0 Ų037.4 Ų37.40%021%0.209CC..EExtended strand (participates in β ladder)trans-88.2143.1172.2-164.10000111.7Q201 G206 K207S199-Q201 PolarHBondContact OG-N 3.28Å; S199-G206 PolarHBondContact O-N 2.68Å; S199-K207 PolarHBondContact N-O 3.43Å
200T83.6Confident86.4Confident1 Ų138.8 Ų38.81%0.00621%0.214CC..  trans-111.810.4168.367.70000112.8W180 G184 I186W180-T200 HydrophobicContact CH2-CG2 3.97Å; W180-T200 HydrophobicContact CZ3-CG2 3.76Å; G184-T200 WeakPolarHBondContact CA-OG1 3.49Å; G184-T200 WeakPolarHBondContact O-CA 3.02Å; G184-T200 WeakPolarHBondContact O-CB 2.84Å; G184-T200 PolarHBondContact O-N 3.12Å; G184-T200 PolarHBondContact O-OG1 3.31Å; I186-T200 HydrophobicContact CD1-CG2 3.61Å; I186-T200 HydrophobicContact CG1-CG2 3.87Å
201Q79.3Confident86.2Confident51 Ų5143.5 Ų43.524%0.23824%0.236CC..SBendtrans-69.2143.2172.9-62.5-177.210.300110.2K131 S199 S203 E204 F205K131-Q201 HydrophobicContact CB-CG 4.43Å; K131-Q201 HydrophobicContact CD-CG 4.4Å; S199-Q201 PolarHBondContact OG-N 3.28Å; Q201-S203 PolarHBondContact O-N 3.17Å; Q201-S203 VanDerWaalsContact O-N 3.13Å; Q201-E204 CarbonylContact O-C 3.42Å; Q201-E204 PolarHBondContact O-N 2.92Å; Q201-F205 WeakPolarHBondContact O-CA 3.36Å; Q201-F205 PolarHBondContact O-N 3.04Å
202S72.2Confident86.2Confident83 Ų8344 Ų4458%0.5824%0.235SC*.THydrogen-bonded Turntrans-55.1-32.6-175.6550000114.6K131K131-S202 PolarHBondContact O-N 3.09Å
203S75.2Confident86.3Confident98 Ų9847.9 Ų47.969%0.68524%0.244SC*.THydrogen-bonded Turntrans-77.3-26.1179.154.30000114.6Q201Q201-S203 PolarHBondContact O-N 3.17Å; Q201-S203 VanDerWaalsContact O-N 3.13Å
204E75.8Confident86.1Confident65 Ų6548.8 Ų48.830%0.30425%0.249SC..THydrogen-bonded Turntrans-128.621.9-172.5-62.2-157.6128.100112.8Q201 G206 K207Q201-E204 CarbonylContact O-C 3.42Å; Q201-E204 PolarHBondContact O-N 2.92Å; E204-G206 PolarHBondContact O-N 3.13Å; E204-K207 HydrophobicContact CB-CB 4.34Å; E204-K207 HydrophobicContact CB-CD 4.35Å; E204-K207 HydrophobicContact CG-CD 4.45Å; E204-K207 WeakPolarHBondContact O-CB 3.27Å; E204-K207 PolarHBondContact O-N 2.91Å; E204-K207 IonicContact OE1-NZ 3.04Å; E204-K207 PolarHBondContact OE1-NZ 3.02Å
205F80.5Confident86Confident70 Ų7046.5 Ų46.531%0.30724%0.24SC..THydrogen-bonded Turntrans-53.8123.1-171.3-177.5-97.8000112.2M130 L154 L164 L166 Q201 K207M130-F205 HydrophobicContact CE-CD2 4.21Å; M130-F205 HydrophobicContact CE-CE2 3.41Å; M130-F205 VanDerWaalsContact CE-CE2 3.41Å; M130-F205 HydrophobicContact CE-CZ 4Å; L154-F205 HydrophobicContact CD1-CE2 4.08Å; L154-F205 HydrophobicContact CD1-CZ 3.96Å; L164-F205 HydrophobicContact CB-CZ 4.33Å; L164-F205 HydrophobicContact CD1-CE1 4.22Å; L164-F205 HydrophobicContact CD1-CE2 4.29Å; L164-F205 HydrophobicContact CD1-CZ 3.7Å; L166-F205 HydrophobicContact CD2-CE1 3.92Å; L166-F205 HydrophobicContact CD2-CZ 4.22Å; Q201-F205 WeakPolarHBondContact O-CA 3.36Å; Q201-F205 PolarHBondContact O-N 3.04Å; F205-K207 VanDerWaalsContact C-N 3.27Å; F205-K207 PolarHBondContact O-N 2.99Å
206G72.7Confident85.7Confident28 Ų2851.7 Ų51.729%0.28926%0.262SS..THydrogen-bonded Turntrans77.61.5178.500000115.2S199 E204S199-G206 PolarHBondContact O-N 2.68Å; E204-G206 PolarHBondContact O-N 3.13Å
207K83.2Confident85.1Confident117 Ų11756.1 Ų56.151%0.50929%0.286SS..  trans-71.6130.4176.4-171.7178.7170.2-168.90110.6I198 S199 E204 F205 I209I198-K207 WeakPolarHBondContact CA-O 3.16Å; S199-K207 PolarHBondContact N-O 3.43Å; E204-K207 HydrophobicContact CB-CB 4.34Å; E204-K207 HydrophobicContact CB-CD 4.35Å; E204-K207 HydrophobicContact CG-CD 4.45Å; E204-K207 WeakPolarHBondContact O-CB 3.27Å; E204-K207 PolarHBondContact O-N 2.91Å; E204-K207 IonicContact OE1-NZ 3.04Å; E204-K207 PolarHBondContact OE1-NZ 3.02Å; F205-K207 VanDerWaalsContact C-N 3.27Å; F205-K207 PolarHBondContact O-N 2.99Å; K207-I209 PolarHBondContact O-N 2.86Å
208E87.4Confident84.9Confident56 Ų5657.4 Ų57.426%0.26230%0.296SS..EExtended strand (participates in β ladder)trans-73.7102.3172.5-59-177.6-179.900109.2Y172 V196 V197 I198Y172-E208 PolarHBondContact OH-OE2 3.42Å; V196-E208 HydrophobicContact CG1-CB 3.82Å; V196-E208 HydrophobicContact CG1-CG 3.66Å; V197-E208 CarbonylContact O-C 3.55Å; V197-E208 WeakPolarHBondContact O-CA 3.25Å; I198-E208 HydrophobicContact CG2-CG 4.19Å
209I86.8Confident84.9Confident82 Ų8257.5 Ų57.542%0.42130%0.296SS..EExtended strand (participates in β ladder)trans-77.5-37.3-179.4-61.6164.2000110.9Y185 V197 K207Y185-I209 HydrophobicContact CD1-CD1 3.49Å; Y185-I209 VanDerWaalsContact CD1-CD1 3.49Å; Y185-I209 HydrophobicContact CE1-CD1 3.3Å; V197-I209 PolarHBondContact O-N 2.81Å; K207-I209 PolarHBondContact O-N 2.86Å
210Y90.1Very high85Confident29 Ų2960.4 Ų60.411%0.11431%0.309CS..EExtended strand (participates in β ladder)trans-142.1141.7-178.3-176.2-109000110.5F195 V196 V197 I212 I247 R248F195-Y210 AromaticContact CE2-CD1 3.93Å; F195-Y210 HydrophobicContact CE2-CD1 3.93Å; F195-Y210 AromaticContact CE2-CE1 3.82Å; F195-Y210 HydrophobicContact CE2-CE1 3.82Å; F195-Y210 HydrophobicContact CZ-CD1 4.44Å; F195-Y210 AromaticContact CZ-CE1 3.87Å; F195-Y210 HydrophobicContact CZ-CE1 3.87Å; V196-Y210 CarbonylContact C-O 3.47Å; V196-Y210 VanDerWaalsContact CA-O 3.26Å; V196-Y210 WeakPolarHBondContact CA-O 3.18Å; V196-Y210 WeakPolarHBondContact CG1-O 3.49Å; V197-Y210 HydrophobicContact CG2-CD1 4.42Å; V197-Y210 PolarHBondContact N-O 3.4Å; V197-Y210 PolarHBondContact O-N 2.98Å; Y210-I212 HydrophobicContact CD1-CG2 4.4Å; Y210-I212 HydrophobicContact CE1-CB 3.91Å; Y210-I212 HydrophobicContact CE1-CG2 3.49Å; Y210-I212 VanDerWaalsContact CE1-CG2 3.49Å; Y210-I212 WeakPolarHBondContact OH-CD1 2.94Å; Y210-I247 HydrophobicContact CD1-CB 4.42Å; Y210-I247 HydrophobicContact CD1-CG1 4.2Å; Y210-I247 HydrophobicContact CD1-CG2 3.4Å; Y210-I247 HydrophobicContact CD2-CG2 3.91Å; Y210-I247 HydrophobicContact CE1-CB 4.42Å; Y210-I247 HydrophobicContact CE1-CG1 4.16Å; Y210-I247 HydrophobicContact CE1-CG2 3.59Å; Y210-I247 HydrophobicContact CE2-CG2 4.12Å; Y210-I247 HydrophobicContact CG-CG2 3.54Å; Y210-R248 HydrophobicContact CD2-CG 4.42Å; Y210-R248 HydrophobicContact CE2-CG 3.52Å
211Q91.6Very high85.4Confident99 Ų9961.6 Ų61.646%0.46332%0.316SS..EExtended strand (participates in β ladder)trans-142.8136.6175.962.4174.930.700108.9Y172 V196Y172-Q211 PolarHBondContact OH-OE1 3.05Å; V196-Q211 HydrophobicContact CG2-CB 4.1Å
212I92.7Very high86.1Confident48 Ų4859.2 Ų59.225%0.24630%0.304CS..EExtended strand (participates in β ladder)trans-150.6145.5173.9-174161.9000110.5Y194 F195 Y210 D214Y194-I212 CarbonylContact C-O 3.59Å; Y194-I212 VanDerWaalsContact CA-O 3.23Å; Y194-I212 WeakPolarHBondContact CA-O 2.97Å; F195-I212 HydrophobicContact CD1-CG2 3.66Å; F195-I212 HydrophobicContact CD2-CG2 4.33Å; F195-I212 HydrophobicContact CE1-CG2 3.21Å; F195-I212 HydrophobicContact CE2-CG2 3.93Å; F195-I212 HydrophobicContact CG-CG2 4.21Å; F195-I212 HydrophobicContact CZ-CG2 3.37Å; F195-I212 PolarHBondContact N-O 2.61Å; F195-I212 PolarHBondContact O-N 3.42Å; F195-I212 VanDerWaalsContact O-N 3.09Å; Y210-I212 HydrophobicContact CD1-CG2 4.4Å; Y210-I212 HydrophobicContact CE1-CB 3.91Å; Y210-I212 HydrophobicContact CE1-CG2 3.49Å; Y210-I212 VanDerWaalsContact CE1-CG2 3.49Å; Y210-I212 WeakPolarHBondContact OH-CD1 2.94Å; I212-D214 HydrophobicContact CG1-CB 4.34Å; I212-D214 HydrophobicContact CG2-CB 4.28Å
213R93.6Very high87.1Confident121 Ų12155.5 Ų55.546%0.45728%0.278SS..EExtended strand (participates in β ladder)trans-96.887.8164.6-169.5-177.6-172.6175.71.7108.6S192 G193 Y194 H215 K216S192-R213 PolarHBondContact O-NE 2.79Å; S192-R213 VanDerWaalsContact O-NE 3.09Å; G193-R213 CarbonylContact O-C 3.57Å; G193-R213 WeakPolarHBondContact O-CA 3.38Å; Y194-R213 HydrophobicContact CD1-CB 3.8Å; Y194-R213 HydrophobicContact CD1-CG 4.43Å; Y194-R213 HydrophobicContact CD2-CB 4.18Å; Y194-R213 HydrophobicContact CD2-CG 3.91Å; Y194-R213 HydrophobicContact CE1-CB 3.56Å; Y194-R213 HydrophobicContact CE1-CG 4.25Å; Y194-R213 HydrophobicContact CE2-CB 3.95Å; Y194-R213 HydrophobicContact CE2-CG 3.67Å; Y194-R213 HydrophobicContact CG-CB 4.1Å; Y194-R213 HydrophobicContact CG-CG 4.27Å; R213-H215 VanDerWaalsContact CG-O 3.26Å; R213-H215 WeakPolarHBondContact CG-O 3.47Å; R213-K216 PolarHBondContact NE-O 2.81Å; R213-K216 PolarHBondContact NH2-O 2.8Å
214D88.3Confident88Confident20 Ų2051.9 Ų51.911%0.10725%0.252CS..  trans-86.5-37.6-173.6-172.233.9000111.6G193 F195 I212 K240 H242G193-D214 PolarHBondContact O-N 3.34Å; G193-D214 VanDerWaalsContact O-N 3.07Å; F195-D214 HydrophobicContact CD1-CB 4.31Å; F195-D214 HydrophobicContact CE1-CB 4.04Å; I212-D214 HydrophobicContact CG1-CB 4.34Å; I212-D214 HydrophobicContact CG2-CB 4.28Å; D214-K240 VanDerWaalsContact CG-CD 3.44Å; D214-K240 PolarHBondContact O-NZ 3.24Å; D214-K240 WeakPolarHBondContact OD1-CD 3.27Å; D214-K240 IonicContact OD1-NZ 2.66Å; D214-K240 PolarHBondContact OD1-NZ 2.81Å; D214-K240 WeakPolarHBondContact OD2-CD 3.4Å; D214-K240 IonicContact OD2-NZ 2.61Å; D214-H242 IonicContact OD2-CE1 3.58Å; D214-H242 IonicContact OD2-NE2 3.57Å; D214-H242 PolarHBondContact OD2-NE2 3.05Å
215H91.4Very high88.6Confident1 Ų149 Ų491%0.00524%0.239CC..SBendtrans-92.4132.6168.4-65.8-81.4000107.8G193 R213 L219 T233 G235G193-H215 CarbonylContact C-O 3.58Å; G193-H215 WeakPolarHBondContact CA-O 3.37Å; G193-H215 PolarHBondContact O-N 3.35Å; G193-H215 VanDerWaalsContact O-N 3.16Å; R213-H215 VanDerWaalsContact CG-O 3.26Å; R213-H215 WeakPolarHBondContact CG-O 3.47Å; H215-L219 HydrophobicContact CB-CB 4.48Å; H215-L219 VanDerWaalsContact CD2-CD1 3.44Å; H215-L219 WeakPolarHBondContact CD2-CD1 3.47Å; H215-T233 PolarHBondContact NE2-OG1 3.49Å; H215-G235 PolarHBondContact CE1-N 3.39Å; H215-G235 VanDerWaalsContact CE1-N 3.35Å; H215-G235 PolarHBondContact CE1-O 2.76Å; H215-G235 VanDerWaalsContact ND1-CA 3.29Å; H215-G235 WeakPolarHBondContact ND1-CA 3.45Å; H215-G235 PolarHBondContact ND1-O 2.82Å; H215-G235 VanDerWaalsContact ND1-O 3.12Å
216K87.8Confident88.7Confident108 Ų10850 Ų5047%0.4725%0.251SS..SBendtrans-74.4-42.6-177.8-68.8176.4-175.51730108.3R213 D236 R1378R213-K216 PolarHBondContact NE-O 2.81Å; R213-K216 PolarHBondContact NH2-O 2.8Å; K216-D236 WeakPolarHBondContact CA-OD2 3.25Å; K216-D236 PolarHBondContact N-OD2 2.96Å; K216-R1378 VanDerWaalsContact CA-NH1 3.34Å; K216-R1378 HydrophobicContact CD-CG 3.86Å; K216-R1378 PolarHBondContact O-NH2 3.37Å
217D82.7Confident89Confident94 Ų9452.8 Ų52.850%0.50326%0.262SS..SBendtrans-100.7-64.4-164.4-88.4-37.5000107.7D236 R1378D217-D236 WeakPolarHBondContact CA-OD1 3.49Å; D217-D236 VanDerWaalsContact CB-OD1 3.27Å; D217-D236 WeakPolarHBondContact CB-OD1 3.19Å; D217-D236 PolarHBondContact N-OD1 3.36Å; D217-D236 PolarHBondContact N-OD2 2.82Å; D217-R1378 VanDerWaalsContact CA-NH2 3.3Å; D217-R1378 VanDerWaalsContact N-CZ 3.3Å; D217-R1378 VanDerWaalsContact N-NH2 3.19Å; D217-R1378 IonicContact OD1-CZ 3.57Å; D217-R1378 IonicContact OD1-NE 2.74Å; D217-R1378 PolarHBondContact OD1-NE 3.42Å; D217-R1378 IonicContact OD1-NH1 2.62Å; D217-R1378 PolarHBondContact OD1-NH1 3.43Å; D217-R1378 IonicContact OD1-NH2 2.67Å; D217-R1378 PolarHBondContact OD1-NH2 3.12Å; D217-R1378 VanDerWaalsContact OD2-CD 3.26Å; D217-R1378 WeakPolarHBondContact OD2-CD 3.38Å; D217-R1378 IonicContact OD2-CZ 3.05Å; D217-R1378 IonicContact OD2-NE 3.42Å; D217-R1378 PolarHBondContact OD2-NE 2.73Å; D217-R1378 IonicContact OD2-NH1 3.44Å; D217-R1378 PolarHBondContact OD2-NH1 2.89Å; D217-R1378 IonicContact OD2-NH2 3.42Å
218S88Confident88.8Confident34 Ų3448.4 Ų48.424%0.23824%0.244CC..  trans-148.5127.6-177.453.30000111.5S191 H220 G235 D236S191-S218 WeakPolarHBondContact O-CA 3.48Å; S218-H220 PolarHBondContact OG-CE1 3.17Å; S218-H220 VanDerWaalsContact OG-CE1 3.25Å; S218-H220 PolarHBondContact OG-NE2 3.41Å; S218-G235 WeakPolarHBondContact O-CA 3.15Å; S218-D236 PolarHBondContact N-OD1 2.85Å; S218-D236 PolarHBondContact O-N 2.98Å
219L92.3Very high88.7Confident2 Ų247.5 Ų47.51%0.0124%0.241CC..EExtended strand (participates in β ladder)trans-83.2138.7161.9178.672.2000107.9I176 F190 Y194 F195 H215 D221 I222 T233 V234I176-L219 WeakPolarHBondContact CD1-O 3.38Å; F190-L219 WeakPolarHBondContact O-CB 3.41Å; Y194-L219 WeakPolarHBondContact O-CD2 3.32Å; F195-L219 HydrophobicContact CB-CD2 4.47Å; H215-L219 HydrophobicContact CB-CB 4.48Å; H215-L219 VanDerWaalsContact CD2-CD1 3.44Å; H215-L219 WeakPolarHBondContact CD2-CD1 3.47Å; L219-D221 WeakPolarHBondContact CD1-O 3.37Å; L219-I222 HydrophobicContact CD1-CG1 4.37Å; L219-I222 HydrophobicContact CD2-CD1 3.87Å; L219-I222 HydrophobicContact CD2-CG1 3.87Å; L219-I222 HydrophobicContact CG-CG1 4.46Å; L219-T233 HydrophobicContact CD1-CG2 4.44Å; L219-V234 WeakPolarHBondContact CD1-O 3.36Å
220H90.4Very high88.8Confident62 Ų6246 Ų4629%0.28723%0.231SC..EExtended strand (participates in β ladder)trans-116.5-29.1-177.7-67.2-54.8000114I176 S218 V234 Y283I176-H220 WeakPolarHBondContact CG2-O 3.34Å; S218-H220 PolarHBondContact OG-CE1 3.17Å; S218-H220 VanDerWaalsContact OG-CE1 3.25Å; S218-H220 PolarHBondContact OG-NE2 3.41Å; H220-V234 PolarHBondContact N-O 3.13Å; H220-Y283 HydrophobicContact CB-CD2 3.97Å; H220-Y283 HydrophobicContact CB-CG 4.35Å; H220-Y283 AromaticContact CD2-CD2 3.41Å; H220-Y283 VanDerWaalsContact CD2-CD2 3.41Å; H220-Y283 WeakPolarHBondContact CD2-CD2 3.47Å; H220-Y283 AromaticContact CD2-CE2 3.78Å; H220-Y283 AromaticContact CG-CD2 3.81Å
221D92.1Very high89Confident26 Ų2644.7 Ų44.714%0.13923%0.225CC..EExtended strand (participates in β ladder)trans-159.4161.5175.4-154.87.4000111.7A177 L219 V234 Q284 L285A177-D221 WeakPolarHBondContact CB-OD1 3.4Å; L219-D221 WeakPolarHBondContact CD1-O 3.37Å; D221-V234 HydrophobicContact CB-CG1 3.54Å; D221-V234 PolarHBondContact N-O 3.38Å; D221-V234 PolarHBondContact O-N 3.35Å; D221-Q284 WeakPolarHBondContact OD2-CA 3.39Å; D221-L285 HydrophobicContact CB-CB 4.23Å; D221-L285 PolarHBondContact OD2-N 2.56Å
222I94.1Very high89.1Confident0 Ų040 Ų400%020%0.203CC..EExtended strand (participates in β ladder)trans-132.9141.3173.3-58.8-173.2000108A177 H179 M187 F195 L219 A232 T233A177-I222 HydrophobicContact CB-CB 4.43Å; H179-I222 PolarHBondContact CD2-O 3.45Å; H179-I222 PolarHBondContact NE2-O 2.72Å; H179-I222 VanDerWaalsContact NE2-O 3.08Å; M187-I222 HydrophobicContact CG-CD1 4.26Å; M187-I222 HydrophobicContact CG-CG2 4.39Å; M187-I222 HydrophobicContact SD-CD1 4.41Å; M187-I222 HydrophobicContact SD-CG2 3.75Å; F195-I222 HydrophobicContact CB-CD1 3.7Å; L219-I222 HydrophobicContact CD1-CG1 4.37Å; L219-I222 HydrophobicContact CD2-CD1 3.87Å; L219-I222 HydrophobicContact CD2-CG1 3.87Å; L219-I222 HydrophobicContact CG-CG1 4.46Å; I222-A232 CarbonylContact C-O 3.39Å; I222-A232 WeakPolarHBondContact CA-O 3.41Å; I222-T233 HydrophobicContact CD1-CG2 4.49Å; I222-T233 HydrophobicContact CG1-CG2 4.17Å; I222-T233 HydrophobicContact CG2-CG2 4.42Å
223S93.4Very high89.3Confident5 Ų537.7 Ų37.74%0.03519%0.192CC..EExtended strand (participates in β ladder)trans-132.8149.6167.8-164.50000111.3C231 A232 L285S223-C231 CarbonylContact O-C 3.49Å; S223-C231 VanDerWaalsContact O-CA 3.3Å; S223-C231 WeakPolarHBondContact O-CA 3.31Å; S223-A232 PolarHBondContact N-O 2.88Å; S223-A232 PolarHBondContact O-N 2.96Å; S223-L285 WeakPolarHBondContact CB-O 3.39Å
224V92.5Very high89.3Confident22 Ų2231.9 Ų31.913%0.13317%0.17CC..EExtended strand (participates in β ladder)trans-126132.4179.6170.70000109.8H179 F181 T226 C231 L244 W287H179-V224 HydrophobicContact CB-CB 3.99Å; H179-V224 HydrophobicContact CB-CG2 3.67Å; F181-V224 HydrophobicContact CB-CG1 3.76Å; V224-T226 HydrophobicContact CG1-CG2 4.36Å; V224-C231 HydrophobicContact CG2-CB 3.92Å; V224-L244 HydrophobicContact CG1-CD1 3.69Å; V224-W287 VanDerWaalsContact C-CE3 3.45Å
225S89.7Confident89.3Confident5 Ų531 Ų314%0.03517%0.165CC..EExtended strand (participates in β ladder)trans-110.8109169.2172.10000107.7V227 L228 N229 R230S225-V227 PolarHBondContact O-N 2.82Å; S225-L228 WeakPolarHBondContact OG-CG 3.4Å; S225-L228 PolarHBondContact OG-N 2.73Å; S225-L228 VanDerWaalsContact OG-N 3.15Å; S225-N229 WeakPolarHBondContact O-CA 3.04Å; S225-N229 PolarHBondContact O-N 2.91Å; S225-R230 PolarHBondContact N-O 3.32Å; S225-R230 PolarHBondContact O-N 2.71Å; S225-R230 VanDerWaalsContact O-N 3.07Å
226T81.3Confident89.1Confident91 Ų9133.1 Ų33.156%0.55818%0.176SC*.THydrogen-bonded Turntrans-69.6-25.5175.4540000111.9V224V224-T226 HydrophobicContact CG1-CG2 4.36Å
227V78.9Confident89Confident86 Ų8630.2 Ų30.252%0.52117%0.169SC..THydrogen-bonded Turntrans-72-47.4178.8-1760000110.7S225 N229 S289 D290S225-V227 PolarHBondContact O-N 2.82Å; V227-N229 PolarHBondContact O-N 2.97Å; V227-S289 WeakPolarHBondContact CG2-O 3.5Å; V227-D290 WeakPolarHBondContact CG1-O 3.46Å
228L79.8Confident89.5Confident25 Ų2526.1 Ų26.113%0.13115%0.148CC..THydrogen-bonded Turntrans-77.8-13.6175.3-59.1176.3000113S225 R230 W287 G291 Q309S225-L228 WeakPolarHBondContact OG-CG 3.4Å; S225-L228 PolarHBondContact OG-N 2.73Å; S225-L228 VanDerWaalsContact OG-N 3.15Å; L228-R230 VanDerWaalsContact C-N 3.31Å; L228-R230 HydrophobicContact CB-CB 4.21Å; L228-R230 HydrophobicContact CB-CG 4.15Å; L228-R230 PolarHBondContact O-N 3.19Å; L228-W287 HydrophobicContact CD1-CZ2 4.13Å; L228-G291 WeakPolarHBondContact CD1-O 3.41Å; L228-Q309 HydrophobicContact CD2-CB 3.88Å; L228-Q309 HydrophobicContact CD2-CG 4.29Å
229N85.4Confident89.7Confident37 Ų3724.5 Ų24.520%0.19814%0.137CC..THydrogen-bonded Turntrans52.848.4-168.5-167.864.4000111.8S225 V227 D243 L244 Q245S225-N229 WeakPolarHBondContact O-CA 3.04Å; S225-N229 PolarHBondContact O-N 2.91Å; V227-N229 PolarHBondContact O-N 2.97Å; N229-D243 PolarHBondContact ND2-OD1 2.95Å; N229-L244 WeakPolarHBondContact O-CB 3.26Å; N229-L244 PolarHBondContact O-N 2.61Å; N229-Q245 WeakPolarHBondContact ND2-CG 3.43Å; N229-Q245 PolarHBondContact ND2-N 3.26Å
230R89.8Confident89.8Confident52 Ų5226.1 Ų26.120%0.19614%0.143CC..EExtended strand (participates in β ladder)trans-131.6157.6-178.9-69.3177-177.5179.4-0.8111.2S225 L228 I241 H242 W287S225-R230 PolarHBondContact N-O 3.32Å; S225-R230 PolarHBondContact O-N 2.71Å; S225-R230 VanDerWaalsContact O-N 3.07Å; L228-R230 VanDerWaalsContact C-N 3.31Å; L228-R230 HydrophobicContact CB-CB 4.21Å; L228-R230 HydrophobicContact CB-CG 4.15Å; L228-R230 PolarHBondContact O-N 3.19Å; R230-I241 HydrophobicContact CB-CG2 4.17Å; R230-I241 HydrophobicContact CG-CG2 4.42Å; R230-H242 CarbonylContact C-O 3.57Å; R230-H242 WeakPolarHBondContact CA-O 3.44Å; R230-H242 WeakPolarHBondContact CB-O 3.29Å; R230-W287 HydrophobicContact CB-CH2 3.53Å; R230-W287 HydrophobicContact CB-CZ2 4.21Å; R230-W287 HydrophobicContact CB-CZ3 4.3Å; R230-W287 WeakPolarHBondContact O-CZ3 3.05Å
231C93.4Very high89.9Confident0 Ų023.8 Ų23.80%013%0.133CC..EExtended strand (participates in β ladder)trans-122.8145.1165.370.10000110.8M187 S223 V224 I241 H242 L244M187-C231 HydrophobicContact CE-CB 3.8Å; M187-C231 VanDerWaalsContact CE-SG 3.57Å; M187-C231 HydrophobicContact SD-CB 3.88Å; S223-C231 CarbonylContact O-C 3.49Å; S223-C231 VanDerWaalsContact O-CA 3.3Å; S223-C231 WeakPolarHBondContact O-CA 3.31Å; V224-C231 HydrophobicContact CG2-CB 3.92Å; C231-I241 CarbonylContact O-C 3.59Å; C231-I241 VanDerWaalsContact O-CA 3.31Å; C231-I241 WeakPolarHBondContact O-CA 3.44Å; C231-H242 PolarHBondContact N-O 2.76Å; C231-H242 PolarHBondContact O-N 3.04Å; C231-L244 HydrophobicContact CB-CD2 3.88Å
232A94.6Very high89.9Confident0 Ų022.8 Ų22.80%013%0.127CC..EExtended strand (participates in β ladder)trans-116.6136.6173.900000109.2I222 S223 V239 K240 I241 L285 W287 M294I222-A232 CarbonylContact C-O 3.39Å; I222-A232 WeakPolarHBondContact CA-O 3.41Å; S223-A232 PolarHBondContact N-O 2.88Å; S223-A232 PolarHBondContact O-N 2.96Å; A232-V239 HydrophobicContact CB-CG1 4.12Å; A232-K240 CarbonylContact C-O 3.52Å; A232-K240 VanDerWaalsContact CA-O 3.31Å; A232-K240 WeakPolarHBondContact CA-O 3.22Å; A232-I241 HydrophobicContact CB-CG1 4.26Å; A232-L285 HydrophobicContact CB-CD1 4.26Å; A232-L285 HydrophobicContact CB-CD2 3.7Å; A232-L285 HydrophobicContact CB-CG 4.41Å; A232-L285 VanDerWaalsContact O-CD2 3.26Å; A232-L285 WeakPolarHBondContact O-CD2 3.48Å; A232-W287 HydrophobicContact CB-CH2 3.91Å; A232-W287 HydrophobicContact CB-CZ2 4.18Å; A232-W287 HydrophobicContact CB-CZ3 4.22Å; A232-M294 HydrophobicContact CB-SD 3.72Å
233T95Very high89.4Confident0 Ų024.6 Ų24.60%014%0.137CC..EExtended strand (participates in β ladder)trans-124.8135.117866.60000109.1F195 H215 L219 I222 V239 K240F195-T233 HydrophobicContact CD1-CG2 4.1Å; F195-T233 HydrophobicContact CE1-CG2 4.29Å; H215-T233 PolarHBondContact NE2-OG1 3.49Å; L219-T233 HydrophobicContact CD1-CG2 4.44Å; I222-T233 HydrophobicContact CD1-CG2 4.49Å; I222-T233 HydrophobicContact CG1-CG2 4.17Å; I222-T233 HydrophobicContact CG2-CG2 4.42Å; T233-V239 CarbonylContact O-C 3.54Å; T233-V239 VanDerWaalsContact O-CA 3.31Å; T233-V239 WeakPolarHBondContact O-CA 3.36Å; T233-K240 PolarHBondContact N-O 2.59Å; T233-K240 PolarHBondContact O-N 3.28Å
234V93.6Very high89Confident0 Ų025.1 Ų25.10%014%0.14CC..EExtended strand (participates in β ladder)trans-117.6129.3179.959.40000110.9L219 H220 D221 C238 V239 L256 Y283 L285L219-V234 WeakPolarHBondContact CD1-O 3.36Å; H220-V234 PolarHBondContact N-O 3.13Å; D221-V234 HydrophobicContact CB-CG1 3.54Å; D221-V234 PolarHBondContact N-O 3.38Å; D221-V234 PolarHBondContact O-N 3.35Å; V234-C238 WeakPolarHBondContact CA-O 3.33Å; V234-V239 HydrophobicContact CB-CG2 3.93Å; V234-V239 HydrophobicContact CG2-CG2 3.84Å; V234-L256 HydrophobicContact CG2-CD1 4.03Å; V234-Y283 HydrophobicContact CG2-CD1 3.89Å; V234-Y283 HydrophobicContact CG2-CE1 4.48Å; V234-Y283 HydrophobicContact CG2-CG 4.02Å; V234-L285 HydrophobicContact CB-CD2 4.33Å; V234-L285 HydrophobicContact CG1-CB 4.05Å; V234-L285 HydrophobicContact CG1-CD2 4.17Å
235G89.3Confident88.5Confident0 Ų029.5 Ų29.50%016%0.159CC..EExtended strand (participates in β ladder)trans-178.4160.8-176.400000110H215 S218 C237 C238H215-G235 PolarHBondContact CE1-N 3.39Å; H215-G235 VanDerWaalsContact CE1-N 3.35Å; H215-G235 PolarHBondContact CE1-O 2.76Å; H215-G235 VanDerWaalsContact ND1-CA 3.29Å; H215-G235 WeakPolarHBondContact ND1-CA 3.45Å; H215-G235 PolarHBondContact ND1-O 2.82Å; H215-G235 VanDerWaalsContact ND1-O 3.12Å; S218-G235 WeakPolarHBondContact O-CA 3.15Å; G235-C237 PolarHBondContact O-N 2.76Å; G235-C238 PolarHBondContact N-O 3.45Å; G235-C238 PolarHBondContact O-N 3.49Å; G235-C238 PolarHBondContact O-SG 3.11Å
236D87.5Confident88.1Confident47 Ų4732.9 Ų32.925%0.25118%0.176SC..THydrogen-bonded Turntrans4939.4176.1-55.1-0.3000113.8K216 D217 S218 C238 R1378K216-D236 WeakPolarHBondContact CA-OD2 3.25Å; K216-D236 PolarHBondContact N-OD2 2.96Å; D217-D236 WeakPolarHBondContact CA-OD1 3.49Å; D217-D236 VanDerWaalsContact CB-OD1 3.27Å; D217-D236 WeakPolarHBondContact CB-OD1 3.19Å; D217-D236 PolarHBondContact N-OD1 3.36Å; D217-D236 PolarHBondContact N-OD2 2.82Å; S218-D236 PolarHBondContact N-OD1 2.85Å; S218-D236 PolarHBondContact O-N 2.98Å; D236-C238 PolarHBondContact O-N 2.68Å; D236-R1378 IonicContact OD2-NH1 3.75Å; D236-R1378 PolarHBondContact OD2-NH1 3.48Å; D236-R1378 VanDerWaalsContact OD2-NH1 3.13Å
237C86.2Confident88.2Confident46 Ų4629.6 Ų29.631%0.31116%0.155SC..THydrogen-bonded Turntrans62.219-177.7-45.10000115.5G235 L256 Q258G235-C237 PolarHBondContact O-N 2.76Å; C237-L256 WeakPolarHBondContact O-CB 3.45Å; C237-L256 PolarHBondContact O-N 2.98Å; C237-Q258 PolarHBondContact SG-NE2 2.81Å
238C91.4Very high88.4Confident9 Ų933.9 Ų33.96%0.06116%0.162CC..EExtended strand (participates in β ladder)trans-135.9157.4178.470.70000111.9V234 G235 D236 I253 I254V234-C238 WeakPolarHBondContact CA-O 3.33Å; G235-C238 PolarHBondContact N-O 3.45Å; G235-C238 PolarHBondContact O-N 3.49Å; G235-C238 PolarHBondContact O-SG 3.11Å; D236-C238 PolarHBondContact O-N 2.68Å; C238-I253 HydrophobicContact CB-CG2 4.3Å; C238-I254 CarbonylContact C-O 3.06Å; C238-I254 VanDerWaalsContact CA-O 3.22Å; C238-I254 WeakPolarHBondContact CA-O 3.36Å; C238-I254 WeakPolarHBondContact CB-O 3.33Å
239V93.4Very high88.4Confident0 Ų037.7 Ų37.70%018%0.179CC..EExtended strand (participates in β ladder)trans-110.6128.7167.4-178.30000109A232 T233 V234 I253 I254 L256 L285 M294 I296A232-V239 HydrophobicContact CB-CG1 4.12Å; T233-V239 CarbonylContact O-C 3.54Å; T233-V239 VanDerWaalsContact O-CA 3.31Å; T233-V239 WeakPolarHBondContact O-CA 3.36Å; V234-V239 HydrophobicContact CB-CG2 3.93Å; V234-V239 HydrophobicContact CG2-CG2 3.84Å; V239-I253 CarbonylContact O-C 3.55Å; V239-I253 WeakPolarHBondContact O-CA 3.33Å; V239-I254 HydrophobicContact CB-CB 4.28Å; V239-I254 PolarHBondContact N-O 2.88Å; V239-I254 PolarHBondContact O-N 2.86Å; V239-L256 HydrophobicContact CG2-CD1 3.98Å; V239-L256 HydrophobicContact CG2-CD2 4.36Å; V239-L256 HydrophobicContact CG2-CG 4.31Å; V239-L285 HydrophobicContact CG1-CD1 4.48Å; V239-M294 HydrophobicContact CG1-CE 4.19Å; V239-I296 HydrophobicContact CB-CD1 4.26Å; V239-I296 HydrophobicContact CG1-CD1 4.35Å; V239-I296 HydrophobicContact CG2-CD1 3.45Å; V239-I296 VanDerWaalsContact CG2-CD1 3.45Å; V239-I296 HydrophobicContact CG2-CG1 4.23Å
240K94.1Very high88.4Confident36 Ų3639.4 Ų39.416%0.15719%0.188CC..EExtended strand (participates in β ladder)trans-113.2128.8178.3-72.4-177.4171.9-171.60109.6D214 A232 T233 L250 I253D214-K240 VanDerWaalsContact CG-CD 3.44Å; D214-K240 PolarHBondContact O-NZ 3.24Å; D214-K240 WeakPolarHBondContact OD1-CD 3.27Å; D214-K240 IonicContact OD1-NZ 2.66Å; D214-K240 PolarHBondContact OD1-NZ 2.81Å; D214-K240 WeakPolarHBondContact OD2-CD 3.4Å; D214-K240 IonicContact OD2-NZ 2.61Å; A232-K240 CarbonylContact C-O 3.52Å; A232-K240 VanDerWaalsContact CA-O 3.31Å; A232-K240 WeakPolarHBondContact CA-O 3.22Å; T233-K240 PolarHBondContact N-O 2.59Å; T233-K240 PolarHBondContact O-N 3.28Å; K240-L250 HydrophobicContact CB-CD1 3.85Å; K240-L250 HydrophobicContact CD-CD1 4.23Å; K240-L250 HydrophobicContact CG-CD1 4.18Å; K240-I253 HydrophobicContact CG-CG1 4.42Å; K240-I253 HydrophobicContact CG-CG2 4.45Å
241I92.3Very high88Confident13 Ų1339.7 Ų39.77%0.06720%0.195CC..EExtended strand (participates in β ladder)trans-109.8128.9-178.9-55.1-178.4000108.9R230 C231 A232 L250 T251 A252 I254 W287 M294R230-I241 HydrophobicContact CB-CG2 4.17Å; R230-I241 HydrophobicContact CG-CG2 4.42Å; C231-I241 CarbonylContact O-C 3.59Å; C231-I241 VanDerWaalsContact O-CA 3.31Å; C231-I241 WeakPolarHBondContact O-CA 3.44Å; A232-I241 HydrophobicContact CB-CG1 4.26Å; I241-L250 CarbonylContact O-C 3.53Å; I241-T251 PolarHBondContact O-N 3.42Å; I241-A252 HydrophobicContact CB-CB 4.27Å; I241-A252 HydrophobicContact CD1-CB 4.25Å; I241-A252 HydrophobicContact CG1-CB 4.44Å; I241-A252 PolarHBondContact N-O 3.32Å; I241-A252 PolarHBondContact O-N 2.97Å; I241-I254 HydrophobicContact CD1-CD1 4.21Å; I241-W287 HydrophobicContact CG2-CH2 4.41Å; I241-W287 HydrophobicContact CG2-CZ2 4.44Å; I241-M294 HydrophobicContact CD1-CE 4.02Å; I241-M294 HydrophobicContact CD1-SD 4.4Å
242H91.3Very high87.6Confident4 Ų441.4 Ų41.42%0.01921%0.21CC..EExtended strand (participates in β ladder)trans-119.3151.9177.7-59.6-144.3000110.4F195 D214 R230 C231 I247 E249 L250F195-H242 AromaticContact CE1-CE1 3.8Å; F195-H242 AromaticContact CZ-CE1 3.86Å; F195-H242 AromaticContact CZ-ND1 3.83Å; D214-H242 IonicContact OD2-CE1 3.58Å; D214-H242 IonicContact OD2-NE2 3.57Å; D214-H242 PolarHBondContact OD2-NE2 3.05Å; R230-H242 CarbonylContact C-O 3.57Å; R230-H242 WeakPolarHBondContact CA-O 3.44Å; R230-H242 WeakPolarHBondContact CB-O 3.29Å; C231-H242 PolarHBondContact N-O 2.76Å; C231-H242 PolarHBondContact O-N 3.04Å; H242-I247 PolarHBondContact ND1-O 2.72Å; H242-E249 VanDerWaalsContact CA-O 3.32Å; H242-E249 WeakPolarHBondContact CA-O 3.3Å; H242-L250 WeakPolarHBondContact NE2-CD1 3.17Å
243D84.7Confident87.4Confident38 Ų3845.7 Ų45.720%0.20323%0.232CC..EExtended strand (participates in β ladder)trans-81.7129.6170.4-165.7-40.1000110.5N229 Q245 N246 I247 E249N229-D243 PolarHBondContact ND2-OD1 2.95Å; D243-Q245 VanDerWaalsContact C-N 3.34Å; D243-Q245 PolarHBondContact O-N 3.45Å; D243-Q245 WeakPolarHBondContact OD1-CB 3.43Å; D243-Q245 PolarHBondContact OD1-N 3.03Å; D243-N246 CarbonylContact O-C 3.57Å; D243-N246 PolarHBondContact O-N 3.44Å; D243-N246 VanDerWaalsContact O-O 3.11Å; D243-I247 WeakPolarHBondContact O-CA 3.27Å; D243-I247 PolarHBondContact O-N 2.75Å; D243-E249 PolarHBondContact N-O 3.47Å; D243-E249 VanDerWaalsContact N-O 3.15Å
244L85.3Confident87.1Confident17 Ų1747.4 Ų47.49%0.08924%0.24CC..SBendtrans-75-20.1179.2-68.1173.8000113.7F181 M187 V224 N229 C231 N246 I247F181-L244 HydrophobicContact CB-CD1 4.21Å; F181-L244 HydrophobicContact CD2-CB 4.32Å; F181-L244 HydrophobicContact CD2-CD1 3.91Å; F181-L244 HydrophobicContact CD2-CD2 3.75Å; F181-L244 HydrophobicContact CD2-CG 4.22Å; F181-L244 HydrophobicContact CE2-CB 4.45Å; F181-L244 HydrophobicContact CE2-CD2 3.8Å; F181-L244 HydrophobicContact CG-CD1 4.29Å; F181-L244 HydrophobicContact CG-CD2 4.25Å; F181-L244 HydrophobicContact CZ-CD2 4.34Å; M187-L244 HydrophobicContact CE-CD2 3.69Å; V224-L244 HydrophobicContact CG1-CD1 3.69Å; N229-L244 WeakPolarHBondContact O-CB 3.26Å; N229-L244 PolarHBondContact O-N 2.61Å; C231-L244 HydrophobicContact CB-CD2 3.88Å; L244-N246 VanDerWaalsContact C-N 3.31Å; L244-I247 HydrophobicContact CD2-CD1 4.05Å
245Q80.5Confident86.9Confident114 Ų11454.2 Ų54.253%0.53327%0.272SS..SBendtrans-67-37.4172.1-95.2169.743.300110.9N229 D243 N675N229-Q245 WeakPolarHBondContact ND2-CG 3.43Å; N229-Q245 PolarHBondContact ND2-N 3.26Å; D243-Q245 VanDerWaalsContact C-N 3.34Å; D243-Q245 PolarHBondContact O-N 3.45Å; D243-Q245 WeakPolarHBondContact OD1-CB 3.43Å; D243-Q245 PolarHBondContact OD1-N 3.03Å; Q245-N675 PolarHBondContact NE2-ND2 2.76Å; Q245-N675 VanDerWaalsContact NE2-ND2 3.11Å
246N82.1Confident86.7Confident76 Ų7654.7 Ų54.741%0.40628%0.275SS..SBendtrans-138.585.1175.8-179.315.1000109.4D243 L244 R248 E249D243-N246 CarbonylContact O-C 3.57Å; D243-N246 PolarHBondContact O-N 3.44Å; D243-N246 VanDerWaalsContact O-O 3.11Å; L244-N246 VanDerWaalsContact C-N 3.31Å; N246-R248 PolarHBondContact O-N 2.65Å; N246-E249 HydrophobicContact CB-CB 4.43Å; N246-E249 VanDerWaalsContact O-CB 3.26Å; N246-E249 WeakPolarHBondContact O-CB 3.49Å; N246-E249 PolarHBondContact O-N 2.82Å
247I83.3Confident85.9Confident22 Ų2260.1 Ų60.111%0.11330%0.299CS..THydrogen-bonded Turntrans-62.3-8.6-171.2-157.9147000116F181 M187 F195 V197 Y210 H242 D243 L244 E249F181-I247 HydrophobicContact CZ-CD1 4.38Å; M187-I247 HydrophobicContact CE-CD1 3.25Å; M187-I247 HydrophobicContact CE-CG1 4.33Å; F195-I247 HydrophobicContact CE2-CD1 4.06Å; F195-I247 HydrophobicContact CE2-CG1 3.99Å; F195-I247 HydrophobicContact CZ-CG1 4.19Å; V197-I247 HydrophobicContact CG2-CD1 3.58Å; Y210-I247 HydrophobicContact CD1-CB 4.42Å; Y210-I247 HydrophobicContact CD1-CG1 4.2Å; Y210-I247 HydrophobicContact CD1-CG2 3.4Å; Y210-I247 HydrophobicContact CD2-CG2 3.91Å; Y210-I247 HydrophobicContact CE1-CB 4.42Å; Y210-I247 HydrophobicContact CE1-CG1 4.16Å; Y210-I247 HydrophobicContact CE1-CG2 3.59Å; Y210-I247 HydrophobicContact CE2-CG2 4.12Å; Y210-I247 HydrophobicContact CG-CG2 3.54Å; H242-I247 PolarHBondContact ND1-O 2.72Å; D243-I247 WeakPolarHBondContact O-CA 3.27Å; D243-I247 PolarHBondContact O-N 2.75Å; L244-I247 HydrophobicContact CD2-CD1 4.05Å; I247-E249 VanDerWaalsContact C-N 3.34Å
248R82.6Confident84.7Confident175 Ų17563 Ų6366%0.6631%0.308SS*.THydrogen-bonded Turntrans-79.6-19.8171.6-65178.8-176.9-1773.3112.6Y210 N246Y210-R248 HydrophobicContact CD2-CG 4.42Å; Y210-R248 HydrophobicContact CE2-CG 3.52Å; N246-R248 PolarHBondContact O-N 2.65Å
249E81.5Confident82.8Confident105 Ų10569.2 Ų69.249%0.49134%0.336SS..  trans-86.5114.5-177.8-169.3171.8168.900110.2H242 D243 N246 I247H242-E249 VanDerWaalsContact CA-O 3.32Å; H242-E249 WeakPolarHBondContact CA-O 3.3Å; D243-E249 PolarHBondContact N-O 3.47Å; D243-E249 VanDerWaalsContact N-O 3.15Å; N246-E249 HydrophobicContact CB-CB 4.43Å; N246-E249 VanDerWaalsContact O-CB 3.26Å; N246-E249 WeakPolarHBondContact O-CB 3.49Å; N246-E249 PolarHBondContact O-N 2.82Å; I247-E249 VanDerWaalsContact C-N 3.34Å
250L84.2Confident80.3Confident73 Ų7378.6 Ų78.638%0.38238%0.379SS..EExtended strand (participates in β ladder)trans-85.5113.8175.1-171.785.9000108.7K240 I241 H242 I253K240-L250 HydrophobicContact CB-CD1 3.85Å; K240-L250 HydrophobicContact CD-CD1 4.23Å; K240-L250 HydrophobicContact CG-CD1 4.18Å; I241-L250 CarbonylContact O-C 3.53Å; H242-L250 WeakPolarHBondContact NE2-CD1 3.17Å; L250-I253 HydrophobicContact CD2-CD1 3.59Å; L250-I253 HydrophobicContact CD2-CG1 3.46Å; L250-I253 VanDerWaalsContact CD2-CG1 3.46Å; L250-I253 HydrophobicContact CG-CG1 4.3Å
251T82.2Confident78Confident58 Ų5884.9 Ų84.936%0.35641%0.409SS..EExtended strand (participates in β ladder)trans-79.8-38.7-178.8-42.50000112.3I241I241-T251 PolarHBondContact O-N 3.42Å
252A84.9Confident75.2Confident37 Ų3792.8 Ų92.831%0.30645%0.446SS..EExtended strand (participates in β ladder)trans-157.6155-177.200000112.4I241I241-A252 HydrophobicContact CB-CB 4.27Å; I241-A252 HydrophobicContact CD1-CB 4.25Å; I241-A252 HydrophobicContact CG1-CB 4.44Å; I241-A252 PolarHBondContact N-O 3.32Å; I241-A252 PolarHBondContact O-N 2.97Å
253I90Very high72.7Confident90 Ų90100.7 Ų100.746%0.46249%0.487SS..EExtended strand (participates in β ladder)trans-125.1128.8167.6-52.6178.1000107.4C238 V239 K240 L250C238-I253 HydrophobicContact CB-CG2 4.3Å; V239-I253 CarbonylContact O-C 3.55Å; V239-I253 WeakPolarHBondContact O-CA 3.33Å; K240-I253 HydrophobicContact CG-CG1 4.42Å; K240-I253 HydrophobicContact CG-CG2 4.45Å; L250-I253 HydrophobicContact CD2-CD1 3.59Å; L250-I253 HydrophobicContact CD2-CG1 3.46Å; L250-I253 VanDerWaalsContact CD2-CG1 3.46Å; L250-I253 HydrophobicContact CG-CG1 4.3Å
254I89.5Confident70Confident35 Ų35105.4 Ų105.418%0.17951%0.512CS..EExtended strand (participates in β ladder)trans-117.1119.9177.5-55.2172.6000107.4C238 V239 I241 M294 F306C238-I254 CarbonylContact C-O 3.06Å; C238-I254 VanDerWaalsContact CA-O 3.22Å; C238-I254 WeakPolarHBondContact CA-O 3.36Å; C238-I254 WeakPolarHBondContact CB-O 3.33Å; V239-I254 HydrophobicContact CB-CB 4.28Å; V239-I254 PolarHBondContact N-O 2.88Å; V239-I254 PolarHBondContact O-N 2.86Å; I241-I254 HydrophobicContact CD1-CD1 4.21Å; I254-M294 HydrophobicContact CD1-CE 3.72Å; I254-F306 HydrophobicContact CD1-CD1 4.34Å; I254-F306 HydrophobicContact CD1-CG 4.34Å; I254-F306 HydrophobicContact CG2-CD1 4.45Å; I254-F306 HydrophobicContact CG2-CE1 3.67Å; I254-F306 HydrophobicContact CG2-CE2 4.3Å; I254-F306 HydrophobicContact CG2-CZ 3.58Å
255E88.2Confident67.4Low143 Ų143112.1 Ų112.167%0.66855%0.548SS*.EExtended strand (participates in β ladder)trans-81.6134.5173.8-65.2-178.417400109.6
256L84.5Confident65.2Low11 Ų11112 Ų1126%0.05856%0.559CS.*PPolyproline II helixtrans-100.2124.7177.1-60.3175000109V234 C237 V239 Q258 Y283 I296 F306V234-L256 HydrophobicContact CG2-CD1 4.03Å; C237-L256 WeakPolarHBondContact O-CB 3.45Å; C237-L256 PolarHBondContact O-N 2.98Å; V239-L256 HydrophobicContact CG2-CD1 3.98Å; V239-L256 HydrophobicContact CG2-CD2 4.36Å; V239-L256 HydrophobicContact CG2-CG 4.31Å; L256-Q258 PolarHBondContact O-N 3.46Å; L256-Y283 HydrophobicContact CD1-CD1 4.27Å; L256-Y283 HydrophobicContact CD1-CE1 3.8Å; L256-I296 HydrophobicContact CD1-CG2 4.2Å; L256-F306 HydrophobicContact CD2-CE2 4.49Å; L256-F306 HydrophobicContact CD2-CZ 4.4Å
257E70.7Confident62.6Low161 Ų161116.2 Ų116.275%0.75258%0.582SS**PPolyproline II helixtrans-64.4128.3177.7-64.6-179.817600110.8
258Q61.7Low60.3Low107 Ų107122.7 Ų122.750%0.562%0.617SS.*PPolyproline II helixtrans-104120168.4-71.8-168-27.200109.1C237 L256 E260C237-Q258 PolarHBondContact SG-NE2 2.81Å; L256-Q258 PolarHBondContact O-N 3.46Å; Q258-E260 PolarHBondContact O-N 3.08Å
259Q50.8Low57.8Low139 Ų139121.6 Ų121.665%0.6562%0.624SS**PPolyproline II helixtrans-75.4119164.6-76.5-177-800108.9E261Q259-E261 VanDerWaalsContact C-N 3.33Å; Q259-E261 PolarHBondContact O-N 3.3Å
260E42.6Very low55.3Low196 Ų196123.9 Ų123.992%0.91664%0.64SS**  trans-70.985.8168.9-70.2-175.8162.100109.2Q258Q258-E260 PolarHBondContact O-N 3.08Å
261E44.6Very low52.5Low168 Ų168128.2 Ų128.279%0.78566%0.66SS**  trans-81.1126164.8-78.9-167.4160.600110.4Q259 I263Q259-E261 VanDerWaalsContact C-N 3.33Å; Q259-E261 PolarHBondContact O-N 3.3Å; E261-I263 PolarHBondContact O-N 2.91Å
262E33.7Very low49.9Very low179 Ų179132 Ų13284%0.83668%0.678SS**  trans-48.1106.8-172.2-63.1175.3148.400114.7N264E262-N264 PolarHBondContact O-N 3.08Å
263I38.9Very low47.2Very low171 Ų171135.3 Ų135.388%0.87771%0.705SS**  trans-76.970.2157.2-55.1173.8000107.8E261E261-I263 PolarHBondContact O-N 2.91Å
264N29.1Very low44.2Very low137 Ų137138.7 Ų138.773%0.73372%0.724SS**  trans-137.159.9168.9-93.3-22.7000109.5E262E262-N264 PolarHBondContact O-N 3.08Å
265N29.8Very low41.1Very low157 Ų157141.9 Ų141.984%0.8475%0.75SS**  trans-164.998.8157.3-97.7-32.6000111.1
266S34.4Very low38.3Very low111 Ų111142.9 Ų142.978%0.77676%0.758SS**  170100.9123.344.90000112.4N268S266-N268 PolarHBondContact O-N 3.15Å
267N28.1Very low35.6Very low166 Ų166146.1 Ų146.189%0.88880%0.795SS**  trans-64.1105.5135.9-86.4-28.3000106.7
268N33.6Very low33.8Very low158 Ų158144.1 Ų144.185%0.84579%0.789SS**  trans-163.1122.2147-98.2-22.8000111.6S266S266-N268 PolarHBondContact O-N 3.15Å
269N30.4Very low32.8Very low151 Ų151143.8 Ų143.881%0.80779%0.79SS**  trans-65.9158.1173.4-71.2-43.3000112.3
270N28.2Very low32.7Very low154 Ų154144.8 Ų144.882%0.82480%0.799SS**  trans8299.5163.7-64.5-18.7000118.2
271M27.1Very low33.3Very low164 Ų164138.5 Ų138.581%0.80877%0.772SS**  175123.1110.5-96-71.5-178.800112
272N27.4Very low34.7Very low137 Ų137136.8 Ų136.873%0.73376%0.758SS**  trans38.395.2148-62.5-13.8000119.8N274N272-N274 PolarHBondContact O-N 3.12Å
273A27.4Very low37.2Very low106 Ų106129.2 Ų129.288%0.87672%0.722SS**SBendtrans-72.932.3172.300000115.7
274N27Very low39.5Very low161 Ų161124.7 Ų124.786%0.86170%0.697SS**SBendtrans-141.657.6-178.6-86.3-23000112.3N272N272-N274 PolarHBondContact O-N 3.12Å
275S25.9Very low42.5Very low103 Ų103118.4 Ų118.472%0.7266%0.664SS**SBendtrans-171125.8162.5-156.40000111.2
276I28Very low45.5Very low163 Ų163113.4 Ų113.484%0.83664%0.635SS**  trans81.553.3165.3-40.1156.5000117.2
277G27.3Very low48.2Very low80 Ų80108.7 Ų108.783%0.82560%0.6SS**  trans-99.638.9176.700000116.9
278N34.3Very low51.1Low119 Ų119101 Ų10164%0.63656%0.559SS**  trans-126.32.4-170.6-95.8-8.3000118.7
279N41Very low53.4Low99 Ų9996.2 Ų96.253%0.52954%0.539SS..  trans-130.255.1-177.8-79.512000113.4
280L47Very low55.5Low160 Ų16091.8 Ų91.884%0.83852%0.515SS*.PPolyproline II helixtrans-81.5126.9155.8-110.384.4000107.7R282L280-R282 PolarHBondContact O-N 3.22Å
281L56.3Low58Low65 Ų6584.4 Ų84.434%0.3448%0.476SS..PPolyproline II helixtrans-47.6125.9173.6-71.7150.6000109.3P299 K301L281-P299 WeakPolarHBondContact O-CB 3.17Å; L281-P299 WeakPolarHBondContact O-CG 3.11Å; L281-K301 HydrophobicContact CD1-CD 4.29Å; L281-K301 VanDerWaalsContact CD1-CE 3.49Å; L281-K301 HydrophobicContact CD1-CG 3.76Å
282R73.4Confident60.4Low132 Ų13278.8 Ų78.850%0.49845%0.447SS..PPolyproline II helixtrans-100.2157-179.8-67.4-177.8177.7-169.7-6.1109.7L280 Q284L280-R282 PolarHBondContact O-N 3.22Å; R282-Q284 PolarHBondContact O-N 2.84Å
283Y86.3Confident63.3Low19 Ų1973.3 Ų73.38%0.07542%0.418CS..PPolyproline II helixtrans-56.9137.3165.2-71-85.9000109.5H220 V234 L256 I296 C297 T298 P299H220-Y283 HydrophobicContact CB-CD2 3.97Å; H220-Y283 HydrophobicContact CB-CG 4.35Å; H220-Y283 AromaticContact CD2-CD2 3.41Å; H220-Y283 VanDerWaalsContact CD2-CD2 3.41Å; H220-Y283 WeakPolarHBondContact CD2-CD2 3.47Å; H220-Y283 AromaticContact CD2-CE2 3.78Å; H220-Y283 AromaticContact CG-CD2 3.81Å; V234-Y283 HydrophobicContact CG2-CD1 3.89Å; V234-Y283 HydrophobicContact CG2-CE1 4.48Å; V234-Y283 HydrophobicContact CG2-CG 4.02Å; L256-Y283 HydrophobicContact CD1-CD1 4.27Å; L256-Y283 HydrophobicContact CD1-CE1 3.8Å; Y283-I296 HydrophobicContact CD1-CG2 4.41Å; Y283-C297 VanDerWaalsContact CA-O 3.27Å; Y283-C297 WeakPolarHBondContact CA-O 3.41Å; Y283-T298 HydrophobicContact CD1-CG2 4.26Å; Y283-T298 HydrophobicContact CE1-CG2 3.78Å; Y283-P299 HydrophobicContact CD2-CG 3.85Å; Y283-P299 HydrophobicContact CE2-CG 3.7Å; Y283-P299 HydrophobicContact CG-CG 4.38Å; Y283-P299 VanDerWaalsContact CZ-CD 3.46Å
284Q88.6Confident66.3Low77 Ų7768.3 Ų68.336%0.3638%0.376SS..EExtended strand (participates in β ladder)trans-132128.5171-177.9167.126.200108.7M1 D221 R282 I296 C297M1-Q284 HydrophobicContact CB-CG 4.35Å; M1-Q284 HydrophobicContact CE-CB 3.83Å; M1-Q284 HydrophobicContact CE-CG 3.79Å; M1-Q284 WeakPolarHBondContact CE-O 3.39Å; M1-Q284 HydrophobicContact CG-CG 4.38Å; M1-Q284 VanDerWaalsContact N-NE2 3.12Å; M1-Q284 PolarHBondContact O-NE2 3.29Å; D221-Q284 WeakPolarHBondContact OD2-CA 3.39Å; R282-Q284 PolarHBondContact O-N 2.84Å; Q284-I296 CarbonylContact O-C 3.58Å; Q284-I296 WeakPolarHBondContact O-CA 3.42Å; Q284-C297 PolarHBondContact N-O 3.28Å; Q284-C297 PolarHBondContact O-N 2.96Å
285L92Very high69.4Low5 Ų560.7 Ų60.73%0.02634%0.335CS..EExtended strand (participates in β ladder)trans-123.7127.1-172.2168.367.8000109D221 S223 A232 V234 V239 M294 I296D221-L285 HydrophobicContact CB-CB 4.23Å; D221-L285 PolarHBondContact OD2-N 2.56Å; S223-L285 WeakPolarHBondContact CB-O 3.39Å; A232-L285 HydrophobicContact CB-CD1 4.26Å; A232-L285 HydrophobicContact CB-CD2 3.7Å; A232-L285 HydrophobicContact CB-CG 4.41Å; A232-L285 VanDerWaalsContact O-CD2 3.26Å; A232-L285 WeakPolarHBondContact O-CD2 3.48Å; V234-L285 HydrophobicContact CB-CD2 4.33Å; V234-L285 HydrophobicContact CG1-CB 4.05Å; V234-L285 HydrophobicContact CG1-CD2 4.17Å; V239-L285 HydrophobicContact CG1-CD1 4.48Å; L285-M294 HydrophobicContact CD1-CG 3.76Å; L285-M294 HydrophobicContact CD1-SD 3.75Å; L285-I296 HydrophobicContact CB-CG1 4.46Å; L285-I296 HydrophobicContact CD1-CD1 3.89Å; L285-I296 HydrophobicContact CD1-CG1 3.31Å; L285-I296 HydrophobicContact CG-CG1 4.44Å
286Q92.6Very high72.6Confident51 Ų5155.8 Ų55.824%0.23830%0.301CS..EExtended strand (participates in β ladder)trans-151.7132.8178.7-157.7-179.52.300112.5M1 W3 A295M1-Q286 PolarHBondContact O-OE1 2.98Å; W3-Q286 PolarHBondContact NE1-O 3.3Å; Q286-A295 PolarHBondContact N-O 2.94Å; Q286-A295 PolarHBondContact O-N 2.82Å
287W91Very high75.5Confident12 Ų1249.1 Ų49.15%0.04527%0.269CS..EExtended strand (participates in β ladder)trans-80.8149.4164.9-85.3-56.6000112.2W3 V224 L228 R230 A232 I241 I293 M294 S308W3-W287 VanDerWaalsContact CD1-C 3.47Å; V224-W287 VanDerWaalsContact C-CE3 3.45Å; L228-W287 HydrophobicContact CD1-CZ2 4.13Å; R230-W287 HydrophobicContact CB-CH2 3.53Å; R230-W287 HydrophobicContact CB-CZ2 4.21Å; R230-W287 HydrophobicContact CB-CZ3 4.3Å; R230-W287 WeakPolarHBondContact O-CZ3 3.05Å; A232-W287 HydrophobicContact CB-CH2 3.91Å; A232-W287 HydrophobicContact CB-CZ2 4.18Å; A232-W287 HydrophobicContact CB-CZ3 4.22Å; I241-W287 HydrophobicContact CG2-CH2 4.41Å; I241-W287 HydrophobicContact CG2-CZ2 4.44Å; W287-I293 CarbonylContact C-O 3.46Å; W287-I293 WeakPolarHBondContact CA-O 3.26Å; W287-M294 HydrophobicContact CD2-CG 4.45Å; W287-M294 HydrophobicContact CD2-SD 4.47Å; W287-M294 HydrophobicContact CG-CB 4.38Å; W287-M294 HydrophobicContact CG-CG 4.19Å; W287-M294 HydrophobicContact CZ2-SD 4.03Å; W287-S308 PolarHBondContact NE1-OG 2.95Å
288S88.6Confident78.3Confident4 Ų445.4 Ų45.43%0.02823%0.23CC..  trans-59155.516157.60000110.1D290 G291 Q292 I293S288-D290 WeakPolarHBondContact CB-OD1 3.03Å; S288-D290 PolarHBondContact O-N 2.85Å; S288-D290 PolarHBondContact OG-OD1 3.01Å; S288-G291 PolarHBondContact O-N 2.8Å; S288-Q292 PolarHBondContact OG-N 3.39Å; S288-I293 PolarHBondContact N-O 2.62Å; S288-I293 PolarHBondContact OG-N 3.17Å; S288-I293 PolarHBondContact OG-O 2.84Å
289S81.9Confident80.4Confident59 Ų5941.9 Ų41.941%0.41321%0.214SC..THydrogen-bonded Turntrans-58.2-34.3-17746.90000113.2A5 V227A5-S289 VanDerWaalsContact C-OG 3.28Å; A5-S289 WeakPolarHBondContact O-CB 3.35Å; A5-S289 PolarHBondContact O-OG 3.41Å; V227-S289 WeakPolarHBondContact CG2-O 3.5Å
290D74.1Confident82.1Confident57 Ų5741 Ų4131%0.30521%0.206SC..THydrogen-bonded Turntrans-82.2-11.8176.467.1-7.6000113.8V227 S288 Q292V227-D290 WeakPolarHBondContact CG1-O 3.46Å; S288-D290 WeakPolarHBondContact CB-OD1 3.03Å; S288-D290 PolarHBondContact O-N 2.85Å; S288-D290 PolarHBondContact OG-OD1 3.01Å; D290-Q292 VanDerWaalsContact C-N 3.27Å; D290-Q292 PolarHBondContact O-N 3.46Å; D290-Q292 PolarHBondContact OD1-N 3.08Å; D290-Q292 WeakPolarHBondContact OD2-CB 3.37Å
291G81.1Confident83.6Confident0 Ų038.6 Ų38.60%019%0.189CC..SBendtrans739.7-175.400000114.9L228 S288 S308L228-G291 WeakPolarHBondContact CD1-O 3.41Å; S288-G291 PolarHBondContact O-N 2.8Å; G291-S308 PolarHBondContact O-OG 2.95Å
292Q78.3Confident85Confident45 Ų4538.8 Ų38.821%0.2119%0.19CC..SBendtrans-69-35.7177.8-174.9171-8.900111.8S288 D290 L307 S308 Q309S288-Q292 PolarHBondContact OG-N 3.39Å; D290-Q292 VanDerWaalsContact C-N 3.27Å; D290-Q292 PolarHBondContact O-N 3.46Å; D290-Q292 PolarHBondContact OD1-N 3.08Å; D290-Q292 WeakPolarHBondContact OD2-CB 3.37Å; Q292-L307 HydrophobicContact CG-CD1 3.8Å; Q292-S308 VanDerWaalsContact C-OG 3.23Å; Q292-S308 PolarHBondContact O-N 3.38Å; Q292-S308 PolarHBondContact O-OG 3.04Å; Q292-S308 VanDerWaalsContact O-OG 3.07Å; Q292-Q309 WeakPolarHBondContact CG-O 3.41Å; Q292-Q309 PolarHBondContact O-N 2.97Å
293I86.6Confident85.7Confident22 Ų2235.3 Ų35.311%0.11318%0.181CC..EExtended strand (participates in β ladder)trans-129.4136.2-170.5-53.9178.6000111.4W3 W287 S288 V305 F306 S308W3-I293 HydrophobicContact CH2-CB 4.12Å; W3-I293 HydrophobicContact CH2-CD1 4.32Å; W3-I293 HydrophobicContact CH2-CG2 3.86Å; W3-I293 HydrophobicContact CZ2-CB 4.2Å; W3-I293 HydrophobicContact CZ2-CG2 3.83Å; W287-I293 CarbonylContact C-O 3.46Å; W287-I293 WeakPolarHBondContact CA-O 3.26Å; S288-I293 PolarHBondContact N-O 2.62Å; S288-I293 PolarHBondContact OG-N 3.17Å; S288-I293 PolarHBondContact OG-O 2.84Å; I293-V305 HydrophobicContact CG2-CG1 3.12Å; I293-F306 CarbonylContact C-O 3.58Å; I293-F306 WeakPolarHBondContact CA-O 3.37Å; I293-S308 PolarHBondContact N-OG 3.31Å
294M91.4Very high85.8Confident2 Ų236.4 Ų36.41%0.0119%0.187CC..EExtended strand (participates in β ladder)trans-111.6122.7172.7-163.1172.258.300110.6A232 V239 I241 I254 L285 W287 I296 V305 F306A232-M294 HydrophobicContact CB-SD 3.72Å; V239-M294 HydrophobicContact CG1-CE 4.19Å; I241-M294 HydrophobicContact CD1-CE 4.02Å; I241-M294 HydrophobicContact CD1-SD 4.4Å; I254-M294 HydrophobicContact CD1-CE 3.72Å; L285-M294 HydrophobicContact CD1-CG 3.76Å; L285-M294 HydrophobicContact CD1-SD 3.75Å; W287-M294 HydrophobicContact CD2-CG 4.45Å; W287-M294 HydrophobicContact CD2-SD 4.47Å; W287-M294 HydrophobicContact CG-CB 4.38Å; W287-M294 HydrophobicContact CG-CG 4.19Å; W287-M294 HydrophobicContact CZ2-SD 4.03Å; M294-I296 HydrophobicContact CE-CD1 4Å; M294-V305 CarbonylContact O-C 3.6Å; M294-V305 WeakPolarHBondContact O-CA 3.18Å; M294-F306 HydrophobicContact CB-CB 4.4Å; M294-F306 HydrophobicContact CE-CB 4.42Å; M294-F306 HydrophobicContact CE-CD2 4.18Å; M294-F306 PolarHBondContact N-O 3.41Å; M294-F306 PolarHBondContact O-N 3.08Å
295A92.5Very high85.8Confident0 Ų035.4 Ų35.40%019%0.186CC..EExtended strand (participates in β ladder)trans-107.7135.7176.700000111.4W3 L10 Q286 L303 H304W3-A295 HydrophobicContact CZ2-CB 3.84Å; L10-A295 HydrophobicContact CD2-CB 3.78Å; Q286-A295 PolarHBondContact N-O 2.94Å; Q286-A295 PolarHBondContact O-N 2.82Å; A295-L303 HydrophobicContact CB-CD1 4.16Å; A295-H304 CarbonylContact C-O 3.57Å; A295-H304 WeakPolarHBondContact CA-O 3.4Å
296I92.4Very high85.5Confident0 Ų038 Ų380%020%0.197CC..EExtended strand (participates in β ladder)trans-129.4121.1176.5-65145.4000108.9V239 L256 Y283 Q284 L285 M294 L303 H304 F306V239-I296 HydrophobicContact CB-CD1 4.26Å; V239-I296 HydrophobicContact CG1-CD1 4.35Å; V239-I296 HydrophobicContact CG2-CD1 3.45Å; V239-I296 VanDerWaalsContact CG2-CD1 3.45Å; V239-I296 HydrophobicContact CG2-CG1 4.23Å; L256-I296 HydrophobicContact CD1-CG2 4.2Å; Y283-I296 HydrophobicContact CD1-CG2 4.41Å; Q284-I296 CarbonylContact O-C 3.58Å; Q284-I296 WeakPolarHBondContact O-CA 3.42Å; L285-I296 HydrophobicContact CB-CG1 4.46Å; L285-I296 HydrophobicContact CD1-CD1 3.89Å; L285-I296 HydrophobicContact CD1-CG1 3.31Å; L285-I296 HydrophobicContact CG-CG1 4.44Å; M294-I296 HydrophobicContact CE-CD1 4Å; I296-L303 WeakPolarHBondContact O-CA 3.5Å; I296-H304 HydrophobicContact CB-CB 4.46Å; I296-H304 PolarHBondContact N-O 2.87Å; I296-H304 PolarHBondContact O-N 2.84Å; I296-F306 HydrophobicContact CD1-CD2 3.83Å; I296-F306 HydrophobicContact CD1-CE2 3.57Å
297C89.4Confident84.8Confident23 Ų2339.5 Ų39.516%0.15521%0.206CC..EExtended strand (participates in β ladder)trans-98.8131.8169.3-175.90000109.7M1 Y283 Q284 L302M1-C297 HydrophobicContact CE-CB 3.53Å; M1-C297 HydrophobicContact CG-CB 4.43Å; M1-C297 HydrophobicContact SD-CB 3.41Å; M1-C297 WeakPolarHBondContact SD-CB 3.44Å; Y283-C297 VanDerWaalsContact CA-O 3.27Å; Y283-C297 WeakPolarHBondContact CA-O 3.41Å; Q284-C297 PolarHBondContact N-O 3.28Å; Q284-C297 PolarHBondContact O-N 2.96Å; C297-L302 CarbonylContact C-O 3.57Å; C297-L302 VanDerWaalsContact CA-O 3.3Å; C297-L302 WeakPolarHBondContact CA-O 3.24Å
298T85.6Confident84.2Confident2 Ų240 Ų401%0.01221%0.212CC..  trans-96.4159.4178.775.90000111.4Y283 Q300 K301 L302Y283-T298 HydrophobicContact CD1-CG2 4.26Å; Y283-T298 HydrophobicContact CE1-CG2 3.78Å; T298-Q300 PolarHBondContact O-N 3.34Å; T298-Q300 PolarHBondContact OG1-N 3.18Å; T298-K301 PolarHBondContact O-N 3.31Å; T298-L302 HydrophobicContact CG2-CB 4.43Å; T298-L302 PolarHBondContact N-O 3.35Å; T298-L302 PolarHBondContact OG1-N 3.33Å
299P78.5Confident83.4Confident46 Ų4641.8 Ų41.830%0.29922%0.22SC..THydrogen-bonded Turntrans-53.5-24.4171.4-29.237.2000114.5L281 Y283 K301L281-P299 WeakPolarHBondContact O-CB 3.17Å; L281-P299 WeakPolarHBondContact O-CG 3.11Å; Y283-P299 HydrophobicContact CD2-CG 3.85Å; Y283-P299 HydrophobicContact CE2-CG 3.7Å; Y283-P299 HydrophobicContact CG-CG 4.38Å; Y283-P299 VanDerWaalsContact CZ-CD 3.46Å; P299-K301 PolarHBondContact O-N 3.08Å
300Q76.8Confident82.9Confident79 Ų7940.1 Ų40.137%0.36921%0.206SC..THydrogen-bonded Turntrans-81.68.9177.4-63.1134-18.700113.2T298 L302T298-Q300 PolarHBondContact O-N 3.34Å; T298-Q300 PolarHBondContact OG1-N 3.18Å; Q300-L302 VanDerWaalsContact C-N 3.28Å; Q300-L302 PolarHBondContact O-N 3.49Å
301K77.9Confident82.9Confident111 Ų11139 Ų3948%0.48320%0.202SC..SBendtrans64.527.2-178.2-51179.7171.8-162.80114.1L281 T298 P299L281-K301 HydrophobicContact CD1-CD 4.29Å; L281-K301 VanDerWaalsContact CD1-CE 3.49Å; L281-K301 HydrophobicContact CD1-CG 3.76Å; T298-K301 PolarHBondContact O-N 3.31Å; P299-K301 PolarHBondContact O-N 3.08Å
302L85.2Confident82.9Confident69 Ų6940.9 Ų40.936%0.36121%0.212SC..  trans-91.9135.7170.4-64.4168.9000109.6C297 T298 Q300C297-L302 CarbonylContact C-O 3.57Å; C297-L302 VanDerWaalsContact CA-O 3.3Å; C297-L302 WeakPolarHBondContact CA-O 3.24Å; T298-L302 HydrophobicContact CG2-CB 4.43Å; T298-L302 PolarHBondContact N-O 3.35Å; T298-L302 PolarHBondContact OG1-N 3.33Å; Q300-L302 VanDerWaalsContact C-N 3.28Å; Q300-L302 PolarHBondContact O-N 3.49Å
303L88.2Confident83.4Confident59 Ų5940.2 Ų40.231%0.30921%0.21SC..EExtended strand (participates in β ladder)trans-104110171178.371.5000108.5M1 L10 I12 A295 I296 V305M1-L303 HydrophobicContact SD-CD1 3.81Å; L10-L303 HydrophobicContact CD2-CD1 3.82Å; L10-L303 HydrophobicContact CD2-CD2 3.94Å; I12-L303 HydrophobicContact CD1-CD1 4.2Å; I12-L303 HydrophobicContact CD1-CD2 3.82Å; A295-L303 HydrophobicContact CB-CD1 4.16Å; I296-L303 WeakPolarHBondContact O-CA 3.5Å; L303-V305 HydrophobicContact CD2-CG2 4.03Å; L303-V305 HydrophobicContact CG-CG2 3.91Å
304H89.3Confident83.6Confident42 Ų4240.6 Ų40.619%0.19422%0.216CC..EExtended strand (participates in β ladder)trans-92.4134.8168.5-59-88.4000109.3A295 I296 F306A295-H304 CarbonylContact C-O 3.57Å; A295-H304 WeakPolarHBondContact CA-O 3.4Å; I296-H304 HydrophobicContact CB-CB 4.46Å; I296-H304 PolarHBondContact N-O 2.87Å; I296-H304 PolarHBondContact O-N 2.84Å; H304-F306 HydrophobicContact CB-CD2 4.38Å; H304-F306 HydrophobicContact CB-CE2 3.52Å; H304-F306 HydrophobicContact CB-CZ 3.9Å
305V87.9Confident83.7Confident56 Ų5641.6 Ų41.634%0.33922%0.223SC..EExtended strand (participates in β ladder)trans-126.7123.5178.4-175.30000108.4W23 I293 M294 L303W23-V305 HydrophobicContact CH2-CB 4.36Å; W23-V305 HydrophobicContact CH2-CG1 3.79Å; W23-V305 HydrophobicContact CH2-CG2 4.03Å; W23-V305 HydrophobicContact CZ2-CG2 4.36Å; W23-V305 HydrophobicContact CZ3-CG1 4.27Å; W23-V305 HydrophobicContact CZ3-CG2 4.28Å; I293-V305 HydrophobicContact CG2-CG1 3.12Å; M294-V305 CarbonylContact O-C 3.6Å; M294-V305 WeakPolarHBondContact O-CA 3.18Å; L303-V305 HydrophobicContact CD2-CG2 4.03Å; L303-V305 HydrophobicContact CG-CG2 3.91Å
306F86.2Confident83.6Confident59 Ų5943.7 Ų43.726%0.25923%0.234SC..EExtended strand (participates in β ladder)trans-118.7138.8-177.2-59.8-84.6000110.3I254 L256 I293 M294 I296 H304I254-F306 HydrophobicContact CD1-CD1 4.34Å; I254-F306 HydrophobicContact CD1-CG 4.34Å; I254-F306 HydrophobicContact CG2-CD1 4.45Å; I254-F306 HydrophobicContact CG2-CE1 3.67Å; I254-F306 HydrophobicContact CG2-CE2 4.3Å; I254-F306 HydrophobicContact CG2-CZ 3.58Å; L256-F306 HydrophobicContact CD2-CE2 4.49Å; L256-F306 HydrophobicContact CD2-CZ 4.4Å; I293-F306 CarbonylContact C-O 3.58Å; I293-F306 WeakPolarHBondContact CA-O 3.37Å; M294-F306 HydrophobicContact CB-CB 4.4Å; M294-F306 HydrophobicContact CE-CB 4.42Å; M294-F306 HydrophobicContact CE-CD2 4.18Å; M294-F306 PolarHBondContact N-O 3.41Å; M294-F306 PolarHBondContact O-N 3.08Å; I296-F306 HydrophobicContact CD1-CD2 3.83Å; I296-F306 HydrophobicContact CD1-CE2 3.57Å; H304-F306 HydrophobicContact CB-CD2 4.38Å; H304-F306 HydrophobicContact CB-CE2 3.52Å; H304-F306 HydrophobicContact CB-CZ 3.9Å
307L78.7Confident83.3Confident82 Ų8243.9 Ų43.943%0.42924%0.235SC..EExtended strand (participates in β ladder)trans-77.4120.8169.1-169.474000109.1Q292 Q309 L310 L331Q292-L307 HydrophobicContact CG-CD1 3.8Å; L307-Q309 WeakPolarHBondContact CD1-O 3.38Å; L307-Q309 WeakPolarHBondContact CG-O 3.34Å; L307-L310 HydrophobicContact CD2-CD2 3.71Å; L307-L310 HydrophobicContact CD2-CG 3.96Å; L307-L331 HydrophobicContact CD1-CD1 4.3Å; L307-L331 HydrophobicContact CD1-CD2 4.28Å; L307-L331 HydrophobicContact CD2-CD1 4.31Å; L307-L331 HydrophobicContact CD2-CD2 4.26Å; L307-L331 HydrophobicContact CD2-CG 4.18Å
308S78.5Confident82.6Confident23 Ų2344 Ų4416%0.16124%0.237CC..  trans-98.6-25.1178.135.50000114W287 G291 Q292 I293W287-S308 PolarHBondContact NE1-OG 2.95Å; G291-S308 PolarHBondContact O-OG 2.95Å; Q292-S308 VanDerWaalsContact C-OG 3.23Å; Q292-S308 PolarHBondContact O-N 3.38Å; Q292-S308 PolarHBondContact O-OG 3.04Å; Q292-S308 VanDerWaalsContact O-OG 3.07Å; I293-S308 PolarHBondContact N-OG 3.31Å
309Q70.4Confident81.6Confident42 Ų4244.4 Ų44.420%0.19624%0.239CC..  trans-143146.1174.7-164177.1-14.200110.8L228 Q292 L307 P692L228-Q309 HydrophobicContact CD2-CB 3.88Å; L228-Q309 HydrophobicContact CD2-CG 4.29Å; Q292-Q309 WeakPolarHBondContact CG-O 3.41Å; Q292-Q309 PolarHBondContact O-N 2.97Å; L307-Q309 WeakPolarHBondContact CD1-O 3.38Å; L307-Q309 WeakPolarHBondContact CG-O 3.34Å; Q309-P692 HydrophobicContact CG-CB 4.06Å; Q309-P692 WeakPolarHBondContact CG-O 3.4Å
310L71.6Confident80.9Confident24 Ų2446.7 Ų46.713%0.12625%0.249CC..  trans-91.9141.6170.8-83.4160.1000110L307 L312 T329 L331 P692L307-L310 HydrophobicContact CD2-CD2 3.71Å; L307-L310 HydrophobicContact CD2-CG 3.96Å; L310-L312 PolarHBondContact O-N 2.99Å; L310-T329 WeakPolarHBondContact CD1-O 3.41Å; L310-L331 HydrophobicContact CD2-CD2 4.14Å; L310-L331 HydrophobicContact CD2-CG 4.36Å; L310-P692 PolarHBondContact N-O 2.9Å
311P74.2Confident80.4Confident32 Ų3244 Ų4421%0.20824%0.239CC..  trans-55.4121.3165.6-22.632.7000110L313 L328 L331P311-L313 VanDerWaalsContact C-N 3.28Å; P311-L313 HydrophobicContact CB-CG 4.42Å; P311-L313 PolarHBondContact O-N 3.48Å; P311-L328 HydrophobicContact CB-CD2 4.24Å; P311-L328 HydrophobicContact CG-CD2 4.5Å; P311-L331 HydrophobicContact CG-CD2 4.3Å
312L81.5Confident80Confident40 Ų4038.7 Ų38.721%0.20922%0.216CC..  trans-81.976.5-177.1-59.9-176.2000110.5L310 G676 L678 L690 S691L310-L312 PolarHBondContact O-N 2.99Å; L312-G676 WeakPolarHBondContact CD1-O 3.43Å; L312-L678 HydrophobicContact CB-CB 4.45Å; L312-L678 HydrophobicContact CB-CD2 4.04Å; L312-L678 HydrophobicContact CD1-CB 3.99Å; L312-L678 WeakPolarHBondContact O-CD2 3.3Å; L312-L690 HydrophobicContact CD2-CB 4.26Å; L312-S691 WeakPolarHBondContact CD2-O 3.2Å
313L88.4Confident79.8Confident32 Ų3236 Ų3617%0.16820%0.202CC..  trans-97.1124.7174.5-59.1-178.7000110.4P311 R327 L328 P364 T365 I367P311-L313 VanDerWaalsContact C-N 3.28Å; P311-L313 HydrophobicContact CB-CG 4.42Å; P311-L313 PolarHBondContact O-N 3.48Å; L313-R327 CarbonylContact O-C 3.46Å; L313-R327 VanDerWaalsContact O-CA 3.3Å; L313-R327 WeakPolarHBondContact O-CA 3.4Å; L313-L328 HydrophobicContact CB-CB 4.07Å; L313-L328 HydrophobicContact CD1-CD2 4.31Å; L313-L328 PolarHBondContact O-N 3.08Å; L313-P364 HydrophobicContact CD1-CB 4.32Å; L313-P364 HydrophobicContact CD1-CG 4.05Å; L313-P364 WeakPolarHBondContact CD1-O 3.35Å; L313-T365 VanDerWaalsContact CD2-O 3.32Å; L313-T365 WeakPolarHBondContact CD2-O 3.46Å; L313-I367 HydrophobicContact CB-CD1 3.7Å; L313-I367 HydrophobicContact CB-CG1 4.1Å; L313-I367 HydrophobicContact CD1-CG1 4.46Å
314A92.2Very high79.8Confident29 Ų2933.4 Ų33.424%0.2419%0.188CC..EExtended strand (participates in β ladder)trans-151.1155173.100000112.4L325 A326 R327 L680 L690A314-L325 HydrophobicContact CB-CD1 4.07Å; A314-A326 CarbonylContact C-O 3.56Å; A314-A326 WeakPolarHBondContact CA-O 3.47Å; A314-A326 WeakPolarHBondContact CB-O 3.45Å; A314-R327 HydrophobicContact CB-CB 4.07Å; A314-L680 HydrophobicContact CB-CD1 4.31Å; A314-L680 HydrophobicContact CB-CD2 3.59Å; A314-L690 HydrophobicContact CB-CD1 3.69Å
315S92.1Very high79.8Confident23 Ų2331.5 Ų31.516%0.16118%0.179CC..EExtended strand (participates in β ladder)trans-146.1144.6176.9-154.20000110.4A326 I367 G368 L369S315-A326 PolarHBondContact N-O 3.43Å; S315-A326 PolarHBondContact O-N 3.36Å; S315-I367 WeakPolarHBondContact CB-O 3.46Å; S315-I367 PolarHBondContact OG-O 3.2Å; S315-G368 WeakPolarHBondContact OG-CA 3.27Å; S315-L369 PolarHBondContact OG-N 2.87Å
316L90.2Very high80.1Confident45 Ų4528.9 Ų28.924%0.23616%0.163CC..EExtended strand (participates in β ladder)trans-112.4133.6-178.2-69.8165.4000109.8L325 I339 L680 C681L316-L325 HydrophobicContact CD2-CB 3.93Å; L316-L325 HydrophobicContact CD2-CD1 3.67Å; L316-L325 HydrophobicContact CD2-CG 4.35Å; L316-L325 HydrophobicContact CG-CD1 4.22Å; L316-I339 HydrophobicContact CD2-CD1 3.76Å; L316-I339 HydrophobicContact CD2-CG1 3.93Å; L316-L680 HydrophobicContact CD1-CB 4.33Å; L316-L680 WeakPolarHBondContact CD1-O 3.33Å; L316-C681 HydrophobicContact CD1-CB 3.69Å
317A86.5Confident80.3Confident3 Ų327.5 Ų27.53%0.02516%0.156CC..  trans-70.3159.5165.600000109.9A322 L324 L369A317-A322 HydrophobicContact CB-CB 4.17Å; A317-L324 HydrophobicContact CB-CB 4.08Å; A317-L324 PolarHBondContact N-O 3.31Å; A317-L369 HydrophobicContact CB-CD2 3.99Å; A317-L369 HydrophobicContact CB-CG 4Å
318S74Confident80.8Confident27 Ų2723.7 Ų23.719%0.18914%0.136CC..  trans-57.3127.3173.2-170.60000110.3N320 S321 A322S318-N320 VanDerWaalsContact C-N 3.27Å; S318-N320 PolarHBondContact O-N 3.43Å; S318-S321 PolarHBondContact O-N 3.47Å; S318-S321 PolarHBondContact O-OG 2.89Å; S318-A322 PolarHBondContact O-N 3.39Å
319P65.1Low81.1Confident10 Ų1024.4 Ų24.47%0.06514%0.14CC..THydrogen-bonded Turntrans-60.5-38.1-174.3-1521.8000112.4S321 N323 A521 L562P319-S321 PolarHBondContact O-N 2.95Å; P319-N323 WeakPolarHBondContact CA-OD1 3.37Å; P319-N323 WeakPolarHBondContact CB-OD1 3.32Å; P319-N323 PolarHBondContact O-ND2 2.76Å; P319-N323 PolarHBondContact O-OD1 3.31Å; P319-A521 HydrophobicContact CG-CB 4.03Å; P319-L562 HydrophobicContact CB-CB 3.95Å; P319-L562 HydrophobicContact CB-CD1 4.13Å; P319-L562 HydrophobicContact CB-CG 4.41Å; P319-L562 HydrophobicContact CG-CB 3.82Å; P319-L562 HydrophobicContact CG-CD1 3.79Å; P319-L562 HydrophobicContact CG-CD2 3.56Å; P319-L562 HydrophobicContact CG-CG 3.88Å
320N64.6Low81.4Confident93 Ų9324.7 Ų24.750%0.49715%0.147SC..THydrogen-bonded Turntrans-71-4.7-175-67-6.7000113.7S318 I522S318-N320 VanDerWaalsContact C-N 3.27Å; S318-N320 PolarHBondContact O-N 3.43Å; N320-I522 WeakPolarHBondContact ND2-CG1 3.43Å
321S65.7Low81.9Confident23 Ų2325.9 Ų25.916%0.16115%0.153CC..THydrogen-bonded Turntrans-124.7-39.6-174.3770000114.7S318 P319 Q371S318-S321 PolarHBondContact O-N 3.47Å; S318-S321 PolarHBondContact O-OG 2.89Å; P319-S321 PolarHBondContact O-N 2.95Å; S321-Q371 PolarHBondContact OG-OE1 2.85Å
322A69.6Low82.5Confident0 Ų028.1 Ų28.10%016%0.163CC..THydrogen-bonded Turntrans-135.7-22.2-178.700000115.9A317 S318 L324 Q371A317-A322 HydrophobicContact CB-CB 4.17Å; S318-A322 PolarHBondContact O-N 3.39Å; A322-L324 HydrophobicContact CB-CD1 4.02Å; A322-L324 HydrophobicContact CB-CG 3.98Å; A322-L324 PolarHBondContact O-N 3.09Å; A322-Q371 HydrophobicContact CB-CG 4.14Å
323N80.9Confident82.9Confident13 Ų1328.7 Ų28.77%0.0716%0.164CC..  trans48.841.4-175.2-71.7-50.4000114.2P319 P338 I339 A342 L348P319-N323 WeakPolarHBondContact CA-OD1 3.37Å; P319-N323 WeakPolarHBondContact CB-OD1 3.32Å; P319-N323 PolarHBondContact O-ND2 2.76Å; P319-N323 PolarHBondContact O-OD1 3.31Å; N323-P338 WeakPolarHBondContact O-CA 3.43Å; N323-I339 WeakPolarHBondContact O-CG1 3.46Å; N323-I339 PolarHBondContact O-N 3.09Å; N323-A342 HydrophobicContact CB-CB 4.36Å; N323-L348 HydrophobicContact CB-CD1 4.21Å
324L87.7Confident83.1Confident4 Ų427.2 Ų27.22%0.02116%0.156CC..EExtended strand (participates in β ladder)trans-104.5150-179.8-64.7174.1000112.5A317 A322 V336 Y352 L369 L387A317-L324 HydrophobicContact CB-CB 4.08Å; A317-L324 PolarHBondContact N-O 3.31Å; A322-L324 HydrophobicContact CB-CD1 4.02Å; A322-L324 HydrophobicContact CB-CG 3.98Å; A322-L324 PolarHBondContact O-N 3.09Å; L324-V336 HydrophobicContact CB-CG1 4.48Å; L324-V336 HydrophobicContact CD1-CG1 4.23Å; L324-V336 HydrophobicContact CD2-CG1 4.49Å; L324-Y352 HydrophobicContact CD1-CD1 3.5Å; L324-Y352 VanDerWaalsContact CD1-CD1 3.5Å; L324-Y352 HydrophobicContact CD1-CE1 3.7Å; L324-Y352 HydrophobicContact CD1-CG 4.48Å; L324-Y352 HydrophobicContact CD2-CD1 3.94Å; L324-Y352 HydrophobicContact CD2-CG 4.41Å; L324-Y352 HydrophobicContact CG-CD1 4.05Å; L324-L369 HydrophobicContact CB-CD2 3.79Å; L324-L369 WeakPolarHBondContact O-CD2 3.28Å; L324-L387 HydrophobicContact CD1-CD1 3.81Å
325L90.8Very high83Confident2 Ų226.4 Ų26.41%0.0115%0.149CC..EExtended strand (participates in β ladder)trans-121.3130.4171169.464.3000108.9A314 L316 V336 E337 I339 L680 L696A314-L325 HydrophobicContact CB-CD1 4.07Å; L316-L325 HydrophobicContact CD2-CB 3.93Å; L316-L325 HydrophobicContact CD2-CD1 3.67Å; L316-L325 HydrophobicContact CD2-CG 4.35Å; L316-L325 HydrophobicContact CG-CD1 4.22Å; L325-V336 CarbonylContact O-C 3.53Å; L325-V336 VanDerWaalsContact O-CA 3.3Å; L325-V336 WeakPolarHBondContact O-CA 3.45Å; L325-E337 PolarHBondContact N-O 3.41Å; L325-E337 PolarHBondContact O-N 3.03Å; L325-I339 HydrophobicContact CB-CG1 4.27Å; L325-L680 HydrophobicContact CD1-CD1 3.68Å; L325-L680 HydrophobicContact CD2-CD1 3.77Å; L325-L680 HydrophobicContact CG-CD1 4.4Å; L325-L696 HydrophobicContact CD2-CD1 3.55Å; L325-L696 HydrophobicContact CD2-CD2 3.8Å; L325-L696 HydrophobicContact CD2-CG 4.32Å
326A92.3Very high83Confident0 Ų025.6 Ų25.60%014%0.143CC..EExtended strand (participates in β ladder)trans-106133.6164.800000108.5A314 S315 V334 T335 V336 I367 L369 L374A314-A326 CarbonylContact C-O 3.56Å; A314-A326 WeakPolarHBondContact CA-O 3.47Å; A314-A326 WeakPolarHBondContact CB-O 3.45Å; S315-A326 PolarHBondContact N-O 3.43Å; S315-A326 PolarHBondContact O-N 3.36Å; A326-V334 HydrophobicContact CB-CG1 4.2Å; A326-T335 CarbonylContact C-O 3.53Å; A326-T335 VanDerWaalsContact CA-O 3.29Å; A326-T335 WeakPolarHBondContact CA-O 3.44Å; A326-V336 HydrophobicContact CB-CG2 4.16Å; A326-I367 HydrophobicContact CB-CG2 4.15Å; A326-L369 HydrophobicContact CB-CB 4.25Å; A326-L369 HydrophobicContact CB-CD1 4.31Å; A326-L369 HydrophobicContact CB-CD2 3.9Å; A326-L369 HydrophobicContact CB-CG 4.39Å; A326-L374 HydrophobicContact CB-CD1 3.62Å
327R91.8Very high82.9Confident30 Ų3024.5 Ų24.511%0.11314%0.137CC..EExtended strand (participates in β ladder)trans-143.3149175.663.5178.6174.280.817.6112.1L313 A314 T329 V334 T335 E337 L690 G694L313-R327 CarbonylContact O-C 3.46Å; L313-R327 VanDerWaalsContact O-CA 3.3Å; L313-R327 WeakPolarHBondContact O-CA 3.4Å; A314-R327 HydrophobicContact CB-CB 4.07Å; R327-T329 PolarHBondContact O-N 3.01Å; R327-V334 CarbonylContact O-C 3.53Å; R327-V334 WeakPolarHBondContact O-CA 3.49Å; R327-T335 PolarHBondContact N-O 3.23Å; R327-T335 PolarHBondContact O-N 3.26Å; R327-E337 IonicContact CZ-OE1 3.97Å; R327-E337 VanDerWaalsContact CZ-OE1 3.24Å; R327-E337 IonicContact NE-OE1 2.73Å; R327-E337 PolarHBondContact NE-OE1 2.8Å; R327-E337 IonicContact NH2-OE1 3.16Å; R327-E337 PolarHBondContact NH2-OE1 2.83Å; R327-E337 IonicContact NH2-OE2 3.68Å; R327-L690 HydrophobicContact CB-CD1 4.34Å; R327-L690 HydrophobicContact CB-CD2 4.32Å; R327-L690 VanDerWaalsContact CD-CD2 3.46Å; R327-G694 PolarHBondContact NH1-O 3.42Å
328L88.9Confident82.9Confident2 Ų225.5 Ų25.51%0.0114%0.142CC..EExtended strand (participates in β ladder)trans-73.3115.6172.5-165.771.9000109.6P311 L313 S330 V334 I360 P364 I367P311-L328 HydrophobicContact CB-CD2 4.24Å; P311-L328 HydrophobicContact CG-CD2 4.5Å; L313-L328 HydrophobicContact CB-CB 4.07Å; L313-L328 HydrophobicContact CD1-CD2 4.31Å; L313-L328 PolarHBondContact O-N 3.08Å; L328-S330 WeakPolarHBondContact CD1-O 3.45Å; L328-S330 WeakPolarHBondContact CG-O 3.49Å; L328-V334 HydrophobicContact CD1-CG2 3.97Å; L328-I360 HydrophobicContact CD1-CD1 4.44Å; L328-P364 HydrophobicContact CD1-CG 3.75Å; L328-I367 HydrophobicContact CB-CD1 4.35Å
329T84.1Confident83.4Confident38 Ų3824.3 Ų24.323%0.23313%0.134CC..EExtended strand (participates in β ladder)trans-95.1-26.5178.722.10000113.2L310 R327 E333 T335L310-T329 WeakPolarHBondContact CD1-O 3.41Å; R327-T329 PolarHBondContact O-N 3.01Å; T329-E333 PolarHBondContact N-O 3.35Å; T329-E333 PolarHBondContact OG1-O 2.88Å; T329-T335 WeakPolarHBondContact CG2-OG1 3.44Å; T329-T335 PolarHBondContact OG1-OG1 2.88Å
330S78.1Confident84Confident49 Ų4925.8 Ų25.834%0.34314%0.144SC..EExtended strand (participates in β ladder)trans-150.3161.8176.2176.70000107L328 L332 E333L328-S330 WeakPolarHBondContact CD1-O 3.45Å; L328-S330 WeakPolarHBondContact CG-O 3.49Å; S330-L332 PolarHBondContact O-N 2.69Å; S330-E333 PolarHBondContact N-O 3.07Å; S330-E333 PolarHBondContact O-N 2.76Å
331L81.5Confident84.3Confident49 Ų4925.5 Ų25.526%0.25714%0.142SC..THydrogen-bonded Turntrans-50.1-28.1-179.6-60.4173.2000113.2L307 L310 P311 E363 P364L307-L331 HydrophobicContact CD1-CD1 4.3Å; L307-L331 HydrophobicContact CD1-CD2 4.28Å; L307-L331 HydrophobicContact CD2-CD1 4.31Å; L307-L331 HydrophobicContact CD2-CD2 4.26Å; L307-L331 HydrophobicContact CD2-CG 4.18Å; L310-L331 HydrophobicContact CD2-CD2 4.14Å; L310-L331 HydrophobicContact CD2-CG 4.36Å; P311-L331 HydrophobicContact CG-CD2 4.3Å; L331-E363 WeakPolarHBondContact CD2-OE1 3.49Å; L331-P364 WeakPolarHBondContact O-CD 3.35Å
332L87.1Confident84.6Confident78 Ų7824.8 Ų24.841%0.40814%0.138SC..THydrogen-bonded Turntrans-124.417.7-179.5-60.8176.8000114S330 I360 T362S330-L332 PolarHBondContact O-N 2.69Å; L332-I360 VanDerWaalsContact C-CG1 3.44Å; L332-I360 HydrophobicContact CB-CG1 4.48Å; L332-I360 VanDerWaalsContact O-CG1 3.26Å; L332-I360 WeakPolarHBondContact O-CG1 3.22Å; L332-I360 PolarHBondContact O-N 2.85Å; L332-T362 VanDerWaalsContact CD2-C 3.41Å
333E89.2Confident84.2Confident53 Ų5332 Ų3225%0.24817%0.169CC..EExtended strand (participates in β ladder)trans-134.4122.9178.8-54.8-174.7146.900111.9T329 S330 L357 L358 K359T329-E333 PolarHBondContact N-O 3.35Å; T329-E333 PolarHBondContact OG1-O 2.88Å; S330-E333 PolarHBondContact N-O 3.07Å; S330-E333 PolarHBondContact O-N 2.76Å; E333-L357 HydrophobicContact CB-CD1 4Å; E333-L357 HydrophobicContact CB-CG 4.35Å; E333-L358 WeakPolarHBondContact CA-O 3.47Å; E333-K359 HydrophobicContact CG-CG 4.3Å; E333-K359 VanDerWaalsContact OE1-CE 3.28Å; E333-K359 WeakPolarHBondContact OE1-CE 3.48Å
334V92.1Very high83.3Confident0 Ų036.5 Ų36.50%019%0.19CC..EExtended strand (participates in β ladder)trans-104.4126.7174.3177.90000109A326 R327 L328 L358 I360 I367 L374 V376A326-V334 HydrophobicContact CB-CG1 4.2Å; R327-V334 CarbonylContact O-C 3.53Å; R327-V334 WeakPolarHBondContact O-CA 3.49Å; L328-V334 HydrophobicContact CD1-CG2 3.97Å; V334-L358 PolarHBondContact N-O 3.16Å; V334-L358 PolarHBondContact O-N 2.9Å; V334-I360 HydrophobicContact CG2-CD1 3.92Å; V334-I367 HydrophobicContact CG1-CD1 4.31Å; V334-I367 HydrophobicContact CG2-CD1 3.91Å; V334-L374 HydrophobicContact CG1-CD1 4.44Å; V334-L374 HydrophobicContact CG1-CD2 4.16Å; V334-V376 HydrophobicContact CG2-CG2 4.39Å
335T91Very high81.9Confident12 Ų1238.2 Ų38.27%0.07420%0.201CC..EExtended strand (participates in β ladder)trans-98.8128172.8-62.80000109.9A326 R327 T329 E337 Y356 L357A326-T335 CarbonylContact C-O 3.53Å; A326-T335 VanDerWaalsContact CA-O 3.29Å; A326-T335 WeakPolarHBondContact CA-O 3.44Å; R327-T335 PolarHBondContact N-O 3.23Å; R327-T335 PolarHBondContact O-N 3.26Å; T329-T335 WeakPolarHBondContact CG2-OG1 3.44Å; T329-T335 PolarHBondContact OG1-OG1 2.88Å; T335-E337 HydrophobicContact CG2-CB 4.36Å; T335-E337 HydrophobicContact CG2-CG 4.42Å; T335-Y356 CarbonylContact C-O 3.45Å; T335-Y356 VanDerWaalsContact CA-O 3.31Å; T335-Y356 WeakPolarHBondContact CA-O 3.37Å; T335-L357 WeakPolarHBondContact OG1-CD1 3.23Å
336V91.2Very high80.3Confident6 Ų641.9 Ų41.94%0.03623%0.231CC..EExtended strand (participates in β ladder)trans-105.6121.9170.3-176.20000108.5L324 L325 A326 S355 Y356 L374 L387 I392L324-V336 HydrophobicContact CB-CG1 4.48Å; L324-V336 HydrophobicContact CD1-CG1 4.23Å; L324-V336 HydrophobicContact CD2-CG1 4.49Å; L325-V336 CarbonylContact O-C 3.53Å; L325-V336 VanDerWaalsContact O-CA 3.3Å; L325-V336 WeakPolarHBondContact O-CA 3.45Å; A326-V336 HydrophobicContact CB-CG2 4.16Å; V336-S355 CarbonylContact O-C 3.56Å; V336-S355 WeakPolarHBondContact O-CA 3.29Å; V336-Y356 PolarHBondContact N-O 2.9Å; V336-Y356 PolarHBondContact O-N 2.86Å; V336-L374 HydrophobicContact CG2-CD2 3.99Å; V336-L387 HydrophobicContact CG1-CD2 4.46Å; V336-I392 HydrophobicContact CB-CD1 4.26Å; V336-I392 HydrophobicContact CG2-CD1 3.91Å
337E88.6Confident78.7Confident23 Ų2348.5 Ų48.511%0.10727%0.266CS..EExtended strand (participates in β ladder)trans-147157-175.663.5-170.9168.400112.5L325 R327 T335 S355L325-E337 PolarHBondContact N-O 3.41Å; L325-E337 PolarHBondContact O-N 3.03Å; R327-E337 IonicContact CZ-OE1 3.97Å; R327-E337 VanDerWaalsContact CZ-OE1 3.24Å; R327-E337 IonicContact NE-OE1 2.73Å; R327-E337 PolarHBondContact NE-OE1 2.8Å; R327-E337 IonicContact NH2-OE1 3.16Å; R327-E337 PolarHBondContact NH2-OE1 2.83Å; R327-E337 IonicContact NH2-OE2 3.68Å; T335-E337 HydrophobicContact CG2-CB 4.36Å; T335-E337 HydrophobicContact CG2-CG 4.42Å; E337-S355 WeakPolarHBondContact CB-OG 3.46Å; E337-S355 PolarHBondContact OE2-OG 2.97Å
338P86.2Confident77.4Confident23 Ų2347.9 Ų47.915%0.14927%0.265CS..EExtended strand (participates in β ladder)trans-63.3145.3174.122.9-32.1000112N323 P340 Y352N323-P338 WeakPolarHBondContact O-CA 3.43Å; P338-P340 WeakPolarHBondContact O-CD 3.21Å; P338-Y352 WeakPolarHBondContact CB-O 3.46Å
339I84.7Confident76.3Confident2 Ų251.6 Ų51.61%0.0129%0.289CS..PPolyproline II helixtrans-65.3126.4172.8-58.2165.5000108.5L316 N323 L325 L562 I683L316-I339 HydrophobicContact CD2-CD1 3.76Å; L316-I339 HydrophobicContact CD2-CG1 3.93Å; N323-I339 WeakPolarHBondContact O-CG1 3.46Å; N323-I339 PolarHBondContact O-N 3.09Å; L325-I339 HydrophobicContact CB-CG1 4.27Å; I339-L562 HydrophobicContact CD1-CD1 4.04Å; I339-I683 HydrophobicContact CB-CD1 4.48Å; I339-I683 HydrophobicContact CG2-CD1 3.54Å
340P77.9Confident75.5Confident42 Ų4257.1 Ų57.127%0.27331%0.313SS..THydrogen-bonded Turntrans-56.6142.1177.1-25.634.1000112.4P338 A342 L696 T698P338-P340 WeakPolarHBondContact O-CD 3.21Å; P340-A342 VanDerWaalsContact C-N 3.26Å; P340-A342 PolarHBondContact O-N 2.88Å; P340-L696 HydrophobicContact CG-CD2 3.7Å; P340-T698 HydrophobicContact CB-CG2 3.7Å; P340-T698 HydrophobicContact CG-CG2 4Å
341N70.1Confident75Confident86 Ų8655.7 Ų55.746%0.4630%0.301SS..THydrogen-bonded Turntrans65.410.5172.6-53.8-25.9000117.1E686N341-E686 PolarHBondContact ND2-OE2 3.01Å
342A72.3Confident74.6Confident9 Ų954.9 Ų54.97%0.07430%0.295CS..  trans-68.1131.6170.800000111.3N323 P340 Q344 V345 I683N323-A342 HydrophobicContact CB-CB 4.36Å; P340-A342 VanDerWaalsContact C-N 3.26Å; P340-A342 PolarHBondContact O-N 2.88Å; A342-Q344 PolarHBondContact O-N 2.99Å; A342-V345 HydrophobicContact CB-CG2 4.38Å; A342-I683 HydrophobicContact CB-CD1 3.99Å
343K62.4Low73.9Confident150 Ų15056.3 Ų56.365%0.65230%0.295SS*.THydrogen-bonded Turntrans-68.35.2-171.6-75.7-173.2-168.2123.80116.4E563 N684K343-E563 VanDerWaalsContact CB-OE1 3.3Å; K343-E563 WeakPolarHBondContact CB-OE1 3.38Å; K343-E563 VanDerWaalsContact CD-OE2 3.25Å; K343-E563 WeakPolarHBondContact CD-OE2 3.45Å; K343-E563 VanDerWaalsContact CE-OE2 3.3Å; K343-E563 WeakPolarHBondContact CE-OE2 3.16Å; K343-E563 WeakPolarHBondContact CG-OE1 3.32Å; K343-E563 WeakPolarHBondContact CG-OE2 3.41Å; K343-E563 PolarHBondContact N-OE1 3.06Å; K343-E563 IonicContact NZ-OE2 2.74Å; K343-E563 PolarHBondContact NZ-OE2 3.41Å; K343-N684 PolarHBondContact NZ-ND2 3.12Å
344Q60.8Low73.3Confident109 Ų10956.7 Ų56.751%0.50930%0.303SS..THydrogen-bonded Turntrans-12914.1-173.6-68.3-179.6900114.6A342 A346 D347 L348A342-Q344 PolarHBondContact O-N 2.99Å; Q344-A346 PolarHBondContact O-N 3.35Å; Q344-A346 VanDerWaalsContact O-N 3.17Å; Q344-D347 PolarHBondContact O-N 3.24Å; Q344-D347 VanDerWaalsContact O-N 3.11Å; Q344-L348 WeakPolarHBondContact O-CG 3.35Å; Q344-L348 PolarHBondContact O-N 2.82Å
345V58.5Low72.9Confident40 Ų4060.2 Ų60.224%0.24233%0.327CS..THydrogen-bonded Turntrans-60.1-31.6-179.7-176.80000112A342 D347 L348 R353A342-V345 HydrophobicContact CB-CG2 4.38Å; V345-D347 VanDerWaalsContact C-N 3.34Å; V345-D347 PolarHBondContact O-N 2.81Å; V345-L348 PolarHBondContact O-N 2.76Å; V345-R353 HydrophobicContact CG1-CB 4.31Å; V345-R353 HydrophobicContact CG1-CG 4.14Å; V345-R353 WeakPolarHBondContact O-CD 3.48Å; V345-R353 WeakPolarHBondContact O-CG 3.47Å; V345-R353 PolarHBondContact O-NE 3.06Å; V345-R353 VanDerWaalsContact O-NE 3.14Å
346A57.4Low72.7Confident78 Ų7862.9 Ų62.965%0.64534%0.337SS*.THydrogen-bonded Turntrans-65.2-33.2178.100000113.4Q344 R353Q344-A346 PolarHBondContact O-N 3.35Å; Q344-A346 VanDerWaalsContact O-N 3.17Å; A346-R353 PolarHBondContact O-NE 2.79Å; A346-R353 PolarHBondContact O-NH2 3.47Å
347D59.8Low72.5Confident140 Ų14067.2 Ų67.275%0.74936%0.359SS*.THydrogen-bonded Turntrans-89.8-12.1-176.4-67.2-28.9000113.3Q344 V345Q344-D347 PolarHBondContact O-N 3.24Å; Q344-D347 VanDerWaalsContact O-N 3.11Å; V345-D347 VanDerWaalsContact C-N 3.34Å; V345-D347 PolarHBondContact O-N 2.81Å
348L64.5Low72.6Confident17 Ų1766.8 Ų66.89%0.08936%0.358CS..SBendtrans-70147.1177.5-69.8169.1000111.9N323 Q344 V345 R353N323-L348 HydrophobicContact CB-CD1 4.21Å; Q344-L348 WeakPolarHBondContact O-CG 3.35Å; Q344-L348 PolarHBondContact O-N 2.82Å; V345-L348 PolarHBondContact O-N 2.76Å; L348-R353 PolarHBondContact O-NE 3.42Å; L348-R353 PolarHBondContact O-NH2 3.22Å
349P65.6Low72.8Confident79 Ų7973 Ų7351%0.51338%0.382SS..  trans-46.2144.7167.5-29.331.7000112.9L351 Y352P349-L351 PolarHBondContact O-N 3.46Å; P349-Y352 HydrophobicContact CB-CD2 3.77Å; P349-Y352 HydrophobicContact CB-CE2 4Å; P349-Y352 HydrophobicContact CG-CD2 3.84Å; P349-Y352 HydrophobicContact CG-CE2 3.86Å; P349-Y352 PolarHBondContact O-N 3.06Å
350E66.4Low73Confident155 Ų15573.4 Ų73.472%0.72438%0.384SS*.G310 helixtrans-52.3-35.7-172-166.1170.5-168.600114.2Y352 R353E350-Y352 VanDerWaalsContact C-N 3.26Å; E350-Y352 PolarHBondContact O-N 2.9Å; E350-R353 PolarHBondContact O-N 3.42Å; E350-R353 VanDerWaalsContact O-N 3.15Å
351L67.7Low73.3Confident18 Ų1880 Ų809%0.09441%0.412CS..G310 helixtrans-53.7-39.4172.9-179.376.4000112.9P349 R353 Y356 T388P349-L351 PolarHBondContact O-N 3.46Å; L351-R353 PolarHBondContact O-N 2.94Å; L351-Y356 HydrophobicContact CD1-CD2 4.45Å; L351-Y356 HydrophobicContact CD1-CE1 3.88Å; L351-Y356 HydrophobicContact CD1-CE2 3.83Å; L351-Y356 VanDerWaalsContact CD1-CZ 3.49Å; L351-Y356 HydrophobicContact CG-CE2 4.38Å; L351-Y356 WeakPolarHBondContact O-CE2 3.38Å; L351-T388 WeakPolarHBondContact CD1-O 3.02Å; L351-T388 WeakPolarHBondContact CD2-O 3.27Å
352Y72.1Confident74Confident33 Ų3378.1 Ų78.113%0.12940%0.403CS..G310 helixtrans-85.20.6-174.5-55-51.3000113.1L324 P338 P349 E350L324-Y352 HydrophobicContact CD1-CD1 3.5Å; L324-Y352 VanDerWaalsContact CD1-CD1 3.5Å; L324-Y352 HydrophobicContact CD1-CE1 3.7Å; L324-Y352 HydrophobicContact CD1-CG 4.48Å; L324-Y352 HydrophobicContact CD2-CD1 3.94Å; L324-Y352 HydrophobicContact CD2-CG 4.41Å; L324-Y352 HydrophobicContact CG-CD1 4.05Å; P338-Y352 WeakPolarHBondContact CB-O 3.46Å; P349-Y352 HydrophobicContact CB-CD2 3.77Å; P349-Y352 HydrophobicContact CB-CE2 4Å; P349-Y352 HydrophobicContact CG-CD2 3.84Å; P349-Y352 HydrophobicContact CG-CE2 3.86Å; P349-Y352 PolarHBondContact O-N 3.06Å; E350-Y352 VanDerWaalsContact C-N 3.26Å; E350-Y352 PolarHBondContact O-N 2.9Å
353R73.3Confident74.5Confident108 Ų10880.8 Ų80.841%0.40841%0.414SS..G310 helixtrans-92.6-11.6178.4-54.8-166.5-169.5112.7-5.5113.5V345 A346 L348 E350 L351V345-R353 HydrophobicContact CG1-CB 4.31Å; V345-R353 HydrophobicContact CG1-CG 4.14Å; V345-R353 WeakPolarHBondContact O-CD 3.48Å; V345-R353 WeakPolarHBondContact O-CG 3.47Å; V345-R353 PolarHBondContact O-NE 3.06Å; V345-R353 VanDerWaalsContact O-NE 3.14Å; A346-R353 PolarHBondContact O-NE 2.79Å; A346-R353 PolarHBondContact O-NH2 3.47Å; L348-R353 PolarHBondContact O-NE 3.42Å; L348-R353 PolarHBondContact O-NH2 3.22Å; E350-R353 PolarHBondContact O-N 3.42Å; E350-R353 VanDerWaalsContact O-N 3.15Å; L351-R353 PolarHBondContact O-N 2.94Å
354S76.2Confident75.9Confident61 Ų6173.8 Ų73.843%0.42738%0.384SS..SBendtrans-121.9156-174.5-55.80000111.8Y356S354-Y356 VanDerWaalsContact O-CD2 3.25Å; S354-Y356 WeakPolarHBondContact O-CD2 3.42Å; S354-Y356 WeakPolarHBondContact O-CE2 3.36Å
355S85Confident77.2Confident73 Ų7372.3 Ų72.351%0.5138%0.382SS..  trans-82.5136.3174.1-50.80000111V336 E337V336-S355 CarbonylContact O-C 3.56Å; V336-S355 WeakPolarHBondContact O-CA 3.29Å; E337-S355 WeakPolarHBondContact CB-OG 3.46Å; E337-S355 PolarHBondContact OE2-OG 2.97Å
356Y86.2Confident78.8Confident69 Ų6971.2 Ų71.227%0.27137%0.374SS..EExtended strand (participates in β ladder)trans-122.2135.1178.5-69.1-95.9000110.4T335 V336 L351 S354T335-Y356 CarbonylContact C-O 3.45Å; T335-Y356 VanDerWaalsContact CA-O 3.31Å; T335-Y356 WeakPolarHBondContact CA-O 3.37Å; V336-Y356 PolarHBondContact N-O 2.9Å; V336-Y356 PolarHBondContact O-N 2.86Å; L351-Y356 HydrophobicContact CD1-CD2 4.45Å; L351-Y356 HydrophobicContact CD1-CE1 3.88Å; L351-Y356 HydrophobicContact CD1-CE2 3.83Å; L351-Y356 VanDerWaalsContact CD1-CZ 3.49Å; L351-Y356 HydrophobicContact CG-CE2 4.38Å; L351-Y356 WeakPolarHBondContact O-CE2 3.38Å; S354-Y356 VanDerWaalsContact O-CD2 3.25Å; S354-Y356 WeakPolarHBondContact O-CD2 3.42Å; S354-Y356 WeakPolarHBondContact O-CE2 3.36Å
357L87.4Confident80.6Confident96 Ų9668.1 Ų68.150%0.50335%0.347SS..EExtended strand (participates in β ladder)trans-101.6121.6178-167.183.8000109.7E333 T335E333-L357 HydrophobicContact CB-CD1 4Å; E333-L357 HydrophobicContact CB-CG 4.35Å; T335-L357 WeakPolarHBondContact OG1-CD1 3.23Å
358L90.3Very high82.2Confident15 Ų1561.5 Ų61.58%0.07931%0.311CS..EExtended strand (participates in β ladder)trans-104.4121.7171.4177.267.4000109.4E333 V334 I360 L374 Y385 I392E333-L358 WeakPolarHBondContact CA-O 3.47Å; V334-L358 PolarHBondContact N-O 3.16Å; V334-L358 PolarHBondContact O-N 2.9Å; L358-I360 HydrophobicContact CD2-CG2 3.98Å; L358-I360 HydrophobicContact CG-CG2 4.05Å; L358-L374 HydrophobicContact CD2-CD2 3.6Å; L358-Y385 HydrophobicContact CD1-CD1 4.04Å; L358-Y385 HydrophobicContact CD1-CE1 4.01Å; L358-Y385 HydrophobicContact CD2-CD1 3.83Å; L358-Y385 HydrophobicContact CD2-CD2 3.81Å; L358-Y385 HydrophobicContact CD2-CE1 3.94Å; L358-Y385 HydrophobicContact CD2-CE2 3.91Å; L358-Y385 HydrophobicContact CD2-CG 3.78Å; L358-Y385 HydrophobicContact CG-CE1 4.49Å; L358-I392 HydrophobicContact CB-CD1 4.36Å; L358-I392 HydrophobicContact CD1-CB 4.31Å; L358-I392 HydrophobicContact CD1-CG2 4.01Å; L358-I392 HydrophobicContact CD2-CG2 4.04Å; L358-I392 HydrophobicContact CG-CG2 4.45Å
359K89.3Confident83.6Confident153 Ų15360.9 Ų60.967%0.66531%0.308SS*.EExtended strand (participates in β ladder)trans-83.5130.8168.2-67.4-173.1174.5-173.80109.5E333E333-K359 HydrophobicContact CG-CG 4.3Å; E333-K359 VanDerWaalsContact OE1-CE 3.28Å; E333-K359 WeakPolarHBondContact OE1-CE 3.48Å
360I90.4Very high84.7Confident11 Ų1157.1 Ų57.16%0.05628%0.284CS..  trans-116.7155.2179.554.1174.6000110L328 L332 V334 L358 T362 P364 V376L328-I360 HydrophobicContact CD1-CD1 4.44Å; L332-I360 VanDerWaalsContact C-CG1 3.44Å; L332-I360 HydrophobicContact CB-CG1 4.48Å; L332-I360 VanDerWaalsContact O-CG1 3.26Å; L332-I360 WeakPolarHBondContact O-CG1 3.22Å; L332-I360 PolarHBondContact O-N 2.85Å; V334-I360 HydrophobicContact CG2-CD1 3.92Å; L358-I360 HydrophobicContact CD2-CG2 3.98Å; L358-I360 HydrophobicContact CG-CG2 4.05Å; I360-T362 WeakPolarHBondContact CD1-O 3.38Å; I360-P364 HydrophobicContact CD1-CB 4.27Å; I360-P364 VanDerWaalsContact CD1-CD 3.49Å; I360-P364 HydrophobicContact CD1-CG 3.54Å; I360-V376 HydrophobicContact CD1-CG1 3.85Å; I360-V376 HydrophobicContact CG2-CG1 4.34Å; I360-V376 HydrophobicContact CG2-CG2 4.44Å
361E83.3Confident85.7Confident181 Ų18151.7 Ų51.785%0.84626%0.259SS*.SBendtrans-86-22.6-173.9-61.3-170.6167.100113.3
362T84.1Confident86.7Confident46 Ų4654.4 Ų54.428%0.28227%0.27SS..SBendtrans-127.3148.9-175.153.50000110.5L332 I360 P364 W383L332-T362 VanDerWaalsContact CD2-C 3.41Å; I360-T362 WeakPolarHBondContact CD1-O 3.38Å; T362-P364 WeakPolarHBondContact O-CD 3.42Å; T362-W383 HydrophobicContact CG2-CH2 4.12Å; T362-W383 WeakPolarHBondContact OG1-CZ3 3.42Å
363E84.7Confident87.7Confident65 Ų6553.5 Ų53.530%0.30427%0.266SS..  trans-70.7117.2172.6-176.3174.3171.700108.7L331L331-E363 WeakPolarHBondContact CD2-OE1 3.49Å
364P90.6Very high88.7Confident3 Ų348.3 Ų48.32%0.01925%0.247CC..  trans-82.5150.7-173.732.9-31.9000110.9L313 L328 L331 I360 T362 V376L313-P364 HydrophobicContact CD1-CB 4.32Å; L313-P364 HydrophobicContact CD1-CG 4.05Å; L313-P364 WeakPolarHBondContact CD1-O 3.35Å; L328-P364 HydrophobicContact CD1-CG 3.75Å; L331-P364 WeakPolarHBondContact O-CD 3.35Å; I360-P364 HydrophobicContact CD1-CB 4.27Å; I360-P364 VanDerWaalsContact CD1-CD 3.49Å; I360-P364 HydrophobicContact CD1-CG 3.54Å; T362-P364 WeakPolarHBondContact O-CD 3.42Å; P364-V376 HydrophobicContact CB-CG1 3.38Å; P364-V376 HydrophobicContact CG-CG1 3.98Å
365T88.5Confident89.6Confident77 Ų7745.4 Ų45.447%0.47223%0.226SC..SBendtrans-101.7-17.9171.6540000112.4L313 G377 I378L313-T365 VanDerWaalsContact CD2-O 3.32Å; L313-T365 WeakPolarHBondContact CD2-O 3.46Å; T365-G377 PolarHBondContact N-O 3.3Å; T365-G377 PolarHBondContact OG1-O 2.86Å; T365-I378 HydrophobicContact CG2-CG1 4.01Å; T365-I378 WeakPolarHBondContact OG1-CA 3.35Å
366F92Very high90.1Very high18 Ų1842 Ų428%0.07920%0.202CC..EExtended strand (participates in β ladder)trans-150.6155.9175.655-97.4000111.6G377 V382 V404 I407F366-G377 PolarHBondContact N-O 3.15Å; F366-G377 PolarHBondContact O-N 3.28Å; F366-V382 HydrophobicContact CE2-CG2 3.6Å; F366-V382 HydrophobicContact CZ-CG2 3.65Å; F366-V404 HydrophobicContact CD1-CB 4.46Å; F366-V404 HydrophobicContact CD1-CG1 4.42Å; F366-V404 HydrophobicContact CD2-CG1 4.38Å; F366-V404 HydrophobicContact CE1-CB 3.7Å; F366-V404 HydrophobicContact CE1-CG1 4.04Å; F366-V404 HydrophobicContact CE2-CB 4.27Å; F366-V404 HydrophobicContact CE2-CG1 3.97Å; F366-V404 HydrophobicContact CZ-CB 3.59Å; F366-V404 HydrophobicContact CZ-CG1 3.8Å; F366-V404 HydrophobicContact CZ-CG2 4.16Å; F366-I407 HydrophobicContact CD2-CG2 3.74Å; F366-I407 HydrophobicContact CE2-CG2 4.29Å
367I94.6Very high90.4Very high13 Ų1338.7 Ų38.77%0.06719%0.189CC..EExtended strand (participates in β ladder)trans-134.3135.8178.7-58.5175.7000108.5L313 S315 A326 L328 V334 L374 S375L313-I367 HydrophobicContact CB-CD1 3.7Å; L313-I367 HydrophobicContact CB-CG1 4.1Å; L313-I367 HydrophobicContact CD1-CG1 4.46Å; S315-I367 WeakPolarHBondContact CB-O 3.46Å; S315-I367 PolarHBondContact OG-O 3.2Å; A326-I367 HydrophobicContact CB-CG2 4.15Å; L328-I367 HydrophobicContact CB-CD1 4.35Å; V334-I367 HydrophobicContact CG1-CD1 4.31Å; V334-I367 HydrophobicContact CG2-CD1 3.91Å; I367-L374 HydrophobicContact CG2-CD1 3.6Å; I367-S375 WeakPolarHBondContact CA-O 3.25Å; I367-S375 WeakPolarHBondContact CG2-O 3.34Å
368G93.3Very high90.6Very high0 Ų036.8 Ų36.80%018%0.179CC..EExtended strand (participates in β ladder)trans-116.9139.8169.600000110.4S315 L374 S375 L409S315-G368 WeakPolarHBondContact OG-CA 3.27Å; G368-L374 CarbonylContact O-C 3.56Å; G368-L374 WeakPolarHBondContact O-CA 3.47Å; G368-S375 VanDerWaalsContact CA-OG 3.27Å; G368-S375 WeakPolarHBondContact CA-OG 3.48Å; G368-S375 PolarHBondContact N-O 2.77Å; G368-S375 PolarHBondContact N-OG 3.08Å; G368-S375 PolarHBondContact O-N 2.83Å; G368-L409 VanDerWaalsContact O-CD1 3.25Å; G368-L409 WeakPolarHBondContact O-CD1 3.45Å
369L93.8Very high90.6Very high4 Ų440.7 Ų40.72%0.02120%0.2CC..EExtended strand (participates in β ladder)trans-127.7126.4173.5-175.366.3000110.7S315 A317 L324 A326 L374 L387S315-L369 PolarHBondContact OG-N 2.87Å; A317-L369 HydrophobicContact CB-CD2 3.99Å; A317-L369 HydrophobicContact CB-CG 4Å; L324-L369 HydrophobicContact CB-CD2 3.79Å; L324-L369 WeakPolarHBondContact O-CD2 3.28Å; A326-L369 HydrophobicContact CB-CB 4.25Å; A326-L369 HydrophobicContact CB-CD1 4.31Å; A326-L369 HydrophobicContact CB-CD2 3.9Å; A326-L369 HydrophobicContact CB-CG 4.39Å; L369-L374 HydrophobicContact CD1-CB 4.16Å; L369-L374 HydrophobicContact CD1-CD1 4.12Å; L369-L387 HydrophobicContact CD1-CD1 4.08Å
370G90.6Very high90.7Very high1 Ų135.8 Ų35.81%0.0118%0.181CC..  trans-110.6-172.1170.700000110.8Y373G370-Y373 PolarHBondContact N-O 2.91Å
371Q86.7Confident90.9Very high40 Ų4038.7 Ų38.719%0.18719%0.194CC..SBendtrans-67.9-37.2179.2-176175.3-1.600112.6S321 A322S321-Q371 PolarHBondContact OG-OE1 2.85Å; A322-Q371 HydrophobicContact CB-CG 4.14Å
372K88.1Confident91.5Very high76 Ų7630.1 Ų30.133%0.3315%0.154SC..SBendtrans-115.4-20.2-175.6-73177.9174.9162.90114E386 L387 E411K372-E386 WeakPolarHBondContact O-CA 3.43Å; K372-L387 WeakPolarHBondContact O-CB 3.36Å; K372-L387 PolarHBondContact O-N 3.07Å; K372-E411 HydrophobicContact CD-CG 3.91Å; K372-E411 WeakPolarHBondContact CE-OE1 3.49Å; K372-E411 HydrophobicContact CG-CG 4.37Å; K372-E411 IonicContact NZ-OE1 3.02Å; K372-E411 PolarHBondContact NZ-OE1 3.13Å
373Y93.3Very high92.1Very high13 Ų1329.8 Ų29.85%0.05115%0.148CC..EExtended strand (participates in β ladder)trans-127.2144.4-171.6-59.5-81.7000111.8G370 Y385 E386 V395 E411 I428 N429G370-Y373 PolarHBondContact N-O 2.91Å; Y373-Y385 CarbonylContact C-O 3.37Å; Y373-Y385 WeakPolarHBondContact CA-O 3.48Å; Y373-E386 HydrophobicContact CD1-CB 3.86Å; Y373-E386 HydrophobicContact CD1-CG 4.28Å; Y373-E386 HydrophobicContact CE1-CB 3.74Å; Y373-E386 HydrophobicContact CE1-CG 3.91Å; Y373-V395 HydrophobicContact CE1-CG2 4.37Å; Y373-E411 WeakPolarHBondContact CD2-O 3.41Å; Y373-E411 WeakPolarHBondContact CE2-O 3.38Å; Y373-I428 HydrophobicContact CD1-CG2 3.78Å; Y373-I428 HydrophobicContact CD2-CB 4.26Å; Y373-I428 HydrophobicContact CD2-CD1 3.64Å; Y373-I428 HydrophobicContact CD2-CG2 4.06Å; Y373-I428 HydrophobicContact CE1-CG2 4.02Å; Y373-I428 HydrophobicContact CE2-CB 4.32Å; Y373-I428 HydrophobicContact CE2-CD1 4.37Å; Y373-I428 HydrophobicContact CE2-CG2 4.3Å; Y373-I428 HydrophobicContact CG-CB 4.49Å; Y373-I428 HydrophobicContact CG-CD1 3.99Å; Y373-I428 HydrophobicContact CG-CG2 3.8Å; Y373-N429 HydrophobicContact CE1-CB 4.4Å; Y373-N429 VanDerWaalsContact OH-CB 3.32Å; Y373-N429 WeakPolarHBondContact OH-CB 3.2Å
374L94.6Very high92.6Very high0 Ų026.7 Ų26.70%013%0.133CC..EExtended strand (participates in β ladder)trans-111.3131.5168.5168.972000107.5A326 V334 V336 L358 I367 G368 L369 V376 F384 Y385 L387A326-L374 HydrophobicContact CB-CD1 3.62Å; V334-L374 HydrophobicContact CG1-CD1 4.44Å; V334-L374 HydrophobicContact CG1-CD2 4.16Å; V336-L374 HydrophobicContact CG2-CD2 3.99Å; L358-L374 HydrophobicContact CD2-CD2 3.6Å; I367-L374 HydrophobicContact CG2-CD1 3.6Å; G368-L374 CarbonylContact O-C 3.56Å; G368-L374 WeakPolarHBondContact O-CA 3.47Å; L369-L374 HydrophobicContact CD1-CB 4.16Å; L369-L374 HydrophobicContact CD1-CD1 4.12Å; L374-V376 HydrophobicContact CD2-CG2 4.31Å; L374-V376 HydrophobicContact CG-CG2 4.16Å; L374-F384 CarbonylContact O-C 3.57Å; L374-F384 WeakPolarHBondContact O-CA 3.4Å; L374-Y385 PolarHBondContact N-O 3.31Å; L374-Y385 PolarHBondContact O-N 2.68Å; L374-L387 HydrophobicContact CB-CD2 4.46Å
375S95.7Very high92.8Very high0 Ų027.6 Ų27.60%014%0.137CC..EExtended strand (participates in β ladder)trans-110.3140.4169.769.40000111I367 G368 W383I367-S375 WeakPolarHBondContact CA-O 3.25Å; I367-S375 WeakPolarHBondContact CG2-O 3.34Å; G368-S375 VanDerWaalsContact CA-OG 3.27Å; G368-S375 WeakPolarHBondContact CA-OG 3.48Å; G368-S375 PolarHBondContact N-O 2.77Å; G368-S375 PolarHBondContact N-OG 3.08Å; G368-S375 PolarHBondContact O-N 2.83Å; S375-W383 CarbonylContact C-O 3.52Å; S375-W383 VanDerWaalsContact CA-O 3.25Å; S375-W383 WeakPolarHBondContact CA-O 3.42Å
376V95.2Very high92.9Very high1 Ų126.9 Ų26.91%0.00613%0.128CC..EExtended strand (participates in β ladder)trans-133.5134.8176.7-178.10000106.6V334 I360 P364 L374 W383 Y385V334-V376 HydrophobicContact CG2-CG2 4.39Å; I360-V376 HydrophobicContact CD1-CG1 3.85Å; I360-V376 HydrophobicContact CG2-CG1 4.34Å; I360-V376 HydrophobicContact CG2-CG2 4.44Å; P364-V376 HydrophobicContact CB-CG1 3.38Å; P364-V376 HydrophobicContact CG-CG1 3.98Å; L374-V376 HydrophobicContact CD2-CG2 4.31Å; L374-V376 HydrophobicContact CG-CG2 4.16Å; V376-W383 PolarHBondContact N-O 3.46Å; V376-W383 PolarHBondContact O-N 2.86Å; V376-Y385 HydrophobicContact CB-CE2 4.25Å; V376-Y385 HydrophobicContact CG2-CD2 4.4Å; V376-Y385 HydrophobicContact CG2-CE2 4.13Å
377G92.7Very high92.8Very high0 Ų026.7 Ų26.70%013%0.127CC..EExtended strand (participates in β ladder)trans-157.9164-176.700000115.2T365 F366 H381T365-G377 PolarHBondContact N-O 3.3Å; T365-G377 PolarHBondContact OG1-O 2.86Å; F366-G377 PolarHBondContact N-O 3.15Å; F366-G377 PolarHBondContact O-N 3.28Å; G377-H381 WeakPolarHBondContact CA-O 3.43Å
378I91.2Very high92.1Very high55 Ų5528.1 Ų28.128%0.28214%0.137SC..EExtended strand (participates in β ladder)trans-137.7135.2176.1-173.2169.7000108.9T365 N380 H381 W383T365-I378 HydrophobicContact CG2-CG1 4.01Å; T365-I378 WeakPolarHBondContact OG1-CA 3.35Å; I378-N380 PolarHBondContact O-N 2.95Å; I378-H381 PolarHBondContact N-O 3.14Å; I378-H381 PolarHBondContact O-N 2.91Å; I378-W383 HydrophobicContact CG2-CH2 4.21Å; I378-W383 HydrophobicContact CG2-CZ3 4.07Å
379N89.7Confident91Very high97 Ų9737.2 Ų37.252%0.51918%0.176SC..THydrogen-bonded Turntrans53-109-177.4-65.4-41.2000112.3T403 V404N379-T403 HydrophobicContact CB-CG2 4.41Å; N379-T403 CarbonylContact O-C 3.42Å; N379-V404 PolarHBondContact O-N 3.27Å
380N91.7Very high89.9Confident50 Ų5041.7 Ų41.727%0.26721%0.208SC..THydrogen-bonded Turntrans-109.1-1.8-17967.9-50000113.5I378 D399 Y400 T402I378-N380 PolarHBondContact O-N 2.95Å; N380-D399 WeakPolarHBondContact O-CA 3.15Å; N380-Y400 PolarHBondContact ND2-O 3.13Å; N380-Y400 PolarHBondContact O-N 2.82Å; N380-T402 VanDerWaalsContact CB-O 3.31Å; N380-T402 WeakPolarHBondContact CB-O 3.31Å
381H95Very high89.2Confident73 Ų7347.5 Ų47.534%0.33824%0.235SC..EExtended strand (participates in β ladder)trans-102.1132.6-177.7-72.8-82.9000110.8G377 I378 D399G377-H381 WeakPolarHBondContact CA-O 3.43Å; I378-H381 PolarHBondContact N-O 3.14Å; I378-H381 PolarHBondContact O-N 2.91Å; H381-D399 IonicContact CE1-OD1 3.89Å; H381-D399 PolarHBondContact CE1-OD1 3.29Å; H381-D399 IonicContact CE1-OD2 3.41Å; H381-D399 PolarHBondContact CE1-OD2 2.91Å; H381-D399 IonicContact CG-OD1 2.93Å; H381-D399 IonicContact ND1-OD1 2.93Å; H381-D399 PolarHBondContact ND1-OD1 3.24Å; H381-D399 IonicContact ND1-OD2 3.51Å; H381-D399 PolarHBondContact ND1-OD2 3.09Å
382V95.5Very high89.2Confident1 Ų147 Ų471%0.00623%0.234CC..EExtended strand (participates in β ladder)trans-135.2132.7-176.9-175.30000111.6F366 F384 E397 Y398 Y400 V404 I407F366-V382 HydrophobicContact CE2-CG2 3.6Å; F366-V382 HydrophobicContact CZ-CG2 3.65Å; V382-F384 HydrophobicContact CB-CE2 4.13Å; V382-F384 HydrophobicContact CG1-CD2 4.22Å; V382-F384 HydrophobicContact CG1-CE1 4.42Å; V382-F384 HydrophobicContact CG1-CE2 3.73Å; V382-F384 HydrophobicContact CG1-CZ 3.85Å; V382-E397 CarbonylContact O-C 3.49Å; V382-E397 VanDerWaalsContact O-CA 3.31Å; V382-E397 WeakPolarHBondContact O-CA 3.49Å; V382-Y398 PolarHBondContact N-O 2.92Å; V382-Y398 PolarHBondContact O-N 3.02Å; V382-Y400 HydrophobicContact CB-CE2 4.11Å; V382-Y400 HydrophobicContact CG2-CD2 3.88Å; V382-Y400 HydrophobicContact CG2-CE2 3.54Å; V382-V404 HydrophobicContact CG2-CG2 4.46Å; V382-I407 HydrophobicContact CG1-CD1 4.04Å
383W96Very high89.3Confident39 Ų3946.2 Ų46.215%0.14824%0.235CC..EExtended strand (participates in β ladder)trans-99.8131.4171.6-64.5-89.8000110.2T362 S375 V376 I378 Y385 L394 E397T362-W383 HydrophobicContact CG2-CH2 4.12Å; T362-W383 WeakPolarHBondContact OG1-CZ3 3.42Å; S375-W383 CarbonylContact C-O 3.52Å; S375-W383 VanDerWaalsContact CA-O 3.25Å; S375-W383 WeakPolarHBondContact CA-O 3.42Å; V376-W383 PolarHBondContact N-O 3.46Å; V376-W383 PolarHBondContact O-N 2.86Å; I378-W383 HydrophobicContact CG2-CH2 4.21Å; I378-W383 HydrophobicContact CG2-CZ3 4.07Å; W383-Y385 HydrophobicContact CB-CD2 4.48Å; W383-Y385 HydrophobicContact CB-CE2 3.66Å; W383-L394 HydrophobicContact CB-CD1 3.82Å; W383-L394 HydrophobicContact CG-CD1 4.29Å; W383-E397 HydrophobicContact CG-CG 4.43Å; W383-E397 PolarHBondContact NE1-OE1 2.89Å
384F95.7Very high89.2Confident0 Ų049.3 Ų49.30%025%0.252CS..EExtended strand (participates in β ladder)trans-110.4121.7176.2-67.5-90.1000110.8L374 V382 V395 T396 I407 L409 A414 H426 I428L374-F384 CarbonylContact O-C 3.57Å; L374-F384 WeakPolarHBondContact O-CA 3.4Å; V382-F384 HydrophobicContact CB-CE2 4.13Å; V382-F384 HydrophobicContact CG1-CD2 4.22Å; V382-F384 HydrophobicContact CG1-CE1 4.42Å; V382-F384 HydrophobicContact CG1-CE2 3.73Å; V382-F384 HydrophobicContact CG1-CZ 3.85Å; F384-V395 PolarHBondContact O-N 2.78Å; F384-T396 HydrophobicContact CB-CG2 3.94Å; F384-T396 HydrophobicContact CD2-CG2 3.92Å; F384-T396 HydrophobicContact CG-CG2 4.23Å; F384-T396 PolarHBondContact N-O 2.82Å; F384-T396 PolarHBondContact O-N 3.49Å; F384-I407 HydrophobicContact CE1-CD1 4.42Å; F384-I407 HydrophobicContact CZ-CD1 4.2Å; F384-L409 HydrophobicContact CD1-CD2 4.22Å; F384-L409 HydrophobicContact CE1-CD2 3.61Å; F384-A414 HydrophobicContact CE1-CB 3.68Å; F384-A414 HydrophobicContact CZ-CB 3.82Å; F384-H426 AromaticContact CZ-CE1 3.87Å; F384-H426 AromaticContact CZ-NE2 3.95Å; F384-I428 HydrophobicContact CB-CG2 3.97Å; F384-I428 HydrophobicContact CD1-CG1 4.35Å; F384-I428 HydrophobicContact CD1-CG2 3.71Å; F384-I428 HydrophobicContact CE1-CG1 4.29Å; F384-I428 HydrophobicContact CE1-CG2 4.4Å; F384-I428 HydrophobicContact CG-CG2 3.92Å
385Y94.4Very high89.1Confident22 Ų2251 Ų519%0.08626%0.262CS..EExtended strand (participates in β ladder)trans-108.2137.3177.6-57.7-95.5000110.4L358 Y373 L374 V376 W383 I392 V393 L394L358-Y385 HydrophobicContact CD1-CD1 4.04Å; L358-Y385 HydrophobicContact CD1-CE1 4.01Å; L358-Y385 HydrophobicContact CD2-CD1 3.83Å; L358-Y385 HydrophobicContact CD2-CD2 3.81Å; L358-Y385 HydrophobicContact CD2-CE1 3.94Å; L358-Y385 HydrophobicContact CD2-CE2 3.91Å; L358-Y385 HydrophobicContact CD2-CG 3.78Å; L358-Y385 HydrophobicContact CG-CE1 4.49Å; Y373-Y385 CarbonylContact C-O 3.37Å; Y373-Y385 WeakPolarHBondContact CA-O 3.48Å; L374-Y385 PolarHBondContact N-O 3.31Å; L374-Y385 PolarHBondContact O-N 2.68Å; V376-Y385 HydrophobicContact CB-CE2 4.25Å; V376-Y385 HydrophobicContact CG2-CD2 4.4Å; V376-Y385 HydrophobicContact CG2-CE2 4.13Å; W383-Y385 HydrophobicContact CB-CD2 4.48Å; W383-Y385 HydrophobicContact CB-CE2 3.66Å; Y385-I392 HydrophobicContact CD1-CG2 4.29Å; Y385-I392 HydrophobicContact CG-CG2 4.21Å; Y385-V393 CarbonylContact C-O 3.59Å; Y385-V393 WeakPolarHBondContact CA-O 3.31Å; Y385-L394 HydrophobicContact CD1-CB 3.91Å; Y385-L394 HydrophobicContact CD1-CD1 4.13Å; Y385-L394 HydrophobicContact CE1-CB 3.82Å; Y385-L394 HydrophobicContact CE1-CD1 3.82Å; Y385-L394 HydrophobicContact CE1-CG 4.38Å; Y385-L394 HydrophobicContact CE2-CD1 4.28Å; Y385-L394 HydrophobicContact CG-CD1 4.48Å
386E92.3Very high89Confident61 Ų6152.7 Ų52.729%0.28527%0.272SS..EExtended strand (participates in β ladder)trans-93.9135.1173.3-176.8173.1-167.900110.8K372 Y373 T388 I392 V393 V395K372-E386 WeakPolarHBondContact O-CA 3.43Å; Y373-E386 HydrophobicContact CD1-CB 3.86Å; Y373-E386 HydrophobicContact CD1-CG 4.28Å; Y373-E386 HydrophobicContact CE1-CB 3.74Å; Y373-E386 HydrophobicContact CE1-CG 3.91Å; E386-T388 HydrophobicContact CG-CG2 4.12Å; E386-T388 PolarHBondContact O-N 2.87Å; E386-I392 WeakPolarHBondContact O-CA 3.48Å; E386-V393 PolarHBondContact N-O 3.22Å; E386-V393 PolarHBondContact O-N 2.83Å; E386-V393 VanDerWaalsContact O-N 3.08Å; E386-V395 HydrophobicContact CB-CG2 3.39Å
387L88.9Confident88.9Confident14 Ų1457.9 Ų57.97%0.07330%0.297CS..EExtended strand (participates in β ladder)trans-8585.5176.5-55.2175.2000108.5L324 V336 L369 K372 L374 I392L324-L387 HydrophobicContact CD1-CD1 3.81Å; V336-L387 HydrophobicContact CG1-CD2 4.46Å; L369-L387 HydrophobicContact CD1-CD1 4.08Å; K372-L387 WeakPolarHBondContact O-CB 3.36Å; K372-L387 PolarHBondContact O-N 3.07Å; L374-L387 HydrophobicContact CB-CD2 4.46Å; L387-I392 HydrophobicContact CD2-CD1 3.95Å; L387-I392 HydrophobicContact CD2-CG1 3.87Å; L387-I392 HydrophobicContact CD2-CG2 4.29Å
388T80.2Confident89Confident43 Ų4361.3 Ų61.326%0.26431%0.31SS..  trans-84.6163.9177.679.60000111.2L351 E386 S390 E391 V393L351-T388 WeakPolarHBondContact CD1-O 3.02Å; L351-T388 WeakPolarHBondContact CD2-O 3.27Å; E386-T388 HydrophobicContact CG-CG2 4.12Å; E386-T388 PolarHBondContact O-N 2.87Å; T388-S390 PolarHBondContact O-N 2.85Å; T388-E391 WeakPolarHBondContact CB-O 3Å; T388-E391 PolarHBondContact N-O 2.92Å; T388-E391 VanDerWaalsContact N-O 3.15Å; T388-E391 PolarHBondContact OG1-N 2.74Å; T388-E391 PolarHBondContact OG1-O 2.82Å; T388-V393 HydrophobicContact CG2-CG2 4.33Å
389K70.1Confident89.1Confident191 Ų19163.1 Ų63.183%0.8332%0.32SS*.SBendtrans-55.2-19.5-176.9-66.9-175.6-178.7-179.40115.5
390S70Confident89.2Confident98 Ų9859 Ų5969%0.68530%0.297SS*.SBendtrans-121.1-33.7-173.6-40.70000113.2T388T388-S390 PolarHBondContact O-N 2.85Å
391E77.3Confident89Confident124 Ų12464 Ų6458%0.57932%0.324SS*.  trans-154.3159.5-169.453.5178.5-171.200112.2T388 V393T388-E391 WeakPolarHBondContact CB-O 3Å; T388-E391 PolarHBondContact N-O 2.92Å; T388-E391 VanDerWaalsContact N-O 3.15Å; T388-E391 PolarHBondContact OG1-N 2.74Å; T388-E391 PolarHBondContact OG1-O 2.82Å; E391-V393 HydrophobicContact CB-CG2 4.49Å; E391-V393 HydrophobicContact CG-CG2 3.66Å
392I85.6Confident88.6Confident30 Ų3062.9 Ų62.915%0.15432%0.321CS..EExtended strand (participates in β ladder)trans-95.3117.7173.9-58.2177.7000107.9V336 L358 Y385 E386 L387V336-I392 HydrophobicContact CB-CD1 4.26Å; V336-I392 HydrophobicContact CG2-CD1 3.91Å; L358-I392 HydrophobicContact CB-CD1 4.36Å; L358-I392 HydrophobicContact CD1-CB 4.31Å; L358-I392 HydrophobicContact CD1-CG2 4.01Å; L358-I392 HydrophobicContact CD2-CG2 4.04Å; L358-I392 HydrophobicContact CG-CG2 4.45Å; Y385-I392 HydrophobicContact CD1-CG2 4.29Å; Y385-I392 HydrophobicContact CG-CG2 4.21Å; E386-I392 WeakPolarHBondContact O-CA 3.48Å; L387-I392 HydrophobicContact CD2-CD1 3.95Å; L387-I392 HydrophobicContact CD2-CG1 3.87Å; L387-I392 HydrophobicContact CD2-CG2 4.29Å
393V90Very high88.4Confident59 Ų5966.1 Ų66.136%0.35834%0.341SS..EExtended strand (participates in β ladder)trans-120.8135.5-171.1-171.50000111Y385 E386 T388 E391 V395Y385-V393 CarbonylContact C-O 3.59Å; Y385-V393 WeakPolarHBondContact CA-O 3.31Å; E386-V393 PolarHBondContact N-O 3.22Å; E386-V393 PolarHBondContact O-N 2.83Å; E386-V393 VanDerWaalsContact O-N 3.08Å; T388-V393 HydrophobicContact CG2-CG2 4.33Å; E391-V393 HydrophobicContact CB-CG2 4.49Å; E391-V393 HydrophobicContact CG-CG2 3.66Å; V393-V395 PolarHBondContact O-N 3.04Å
394L92.3Very high88.2Confident78 Ų7864.9 Ų64.941%0.40834%0.338SS..EExtended strand (participates in β ladder)trans-65.9125.7173.6-177.968.3000110.6W383 Y385W383-L394 HydrophobicContact CB-CD1 3.82Å; W383-L394 HydrophobicContact CG-CD1 4.29Å; Y385-L394 HydrophobicContact CD1-CB 3.91Å; Y385-L394 HydrophobicContact CD1-CD1 4.13Å; Y385-L394 HydrophobicContact CE1-CB 3.82Å; Y385-L394 HydrophobicContact CE1-CD1 3.82Å; Y385-L394 HydrophobicContact CE1-CG 4.38Å; Y385-L394 HydrophobicContact CE2-CD1 4.28Å; Y385-L394 HydrophobicContact CG-CD1 4.48Å
395V92.2Very high87.9Confident35 Ų3569.9 Ų69.921%0.21237%0.365CS..EExtended strand (participates in β ladder)trans-104.7-46.6-178.4173.40000112.7Y373 F384 E386 V393 N429Y373-V395 HydrophobicContact CE1-CG2 4.37Å; F384-V395 PolarHBondContact O-N 2.78Å; E386-V395 HydrophobicContact CB-CG2 3.39Å; V393-V395 PolarHBondContact O-N 3.04Å; V395-N429 HydrophobicContact CG1-CB 4.12Å
396T93.4Very high87.7Confident35 Ų3573.3 Ų73.322%0.21538%0.378CS..EExtended strand (participates in β ladder)trans-156.9161.6-178.1-164.60000111.6F384 I428F384-T396 HydrophobicContact CB-CG2 3.94Å; F384-T396 HydrophobicContact CD2-CG2 3.92Å; F384-T396 HydrophobicContact CG-CG2 4.23Å; F384-T396 PolarHBondContact N-O 2.82Å; F384-T396 PolarHBondContact O-N 3.49Å; T396-I428 WeakPolarHBondContact CG2-O 3.3Å
397E93.6Very high87.8Confident111 Ų11171.4 Ų71.452%0.51937%0.369SS..EExtended strand (participates in β ladder)trans-112.5152.4168.6-56.5-178177.200108.8V382 W383V382-E397 CarbonylContact O-C 3.49Å; V382-E397 VanDerWaalsContact O-CA 3.31Å; V382-E397 WeakPolarHBondContact O-CA 3.49Å; W383-E397 HydrophobicContact CG-CG 4.43Å; W383-E397 PolarHBondContact NE1-OE1 2.89Å
398Y93.6Very high88.1Confident72 Ų7271.2 Ų71.228%0.28237%0.369SS..EExtended strand (participates in β ladder)trans-143.8133.1177.8-163.9-82.5000111.4V382 Y400 H426V382-Y398 PolarHBondContact N-O 2.92Å; V382-Y398 PolarHBondContact O-N 3.02Å; Y398-Y400 AromaticContact CD1-CD1 3.87Å; Y398-Y400 HydrophobicContact CD1-CD1 3.87Å; Y398-Y400 AromaticContact CD1-CD2 3.86Å; Y398-Y400 HydrophobicContact CD1-CD2 3.86Å; Y398-Y400 AromaticContact CD1-CE1 3.67Å; Y398-Y400 HydrophobicContact CD1-CE1 3.67Å; Y398-Y400 AromaticContact CD1-CE2 3.71Å; Y398-Y400 HydrophobicContact CD1-CE2 3.71Å; Y398-Y400 AromaticContact CD1-CG 3.96Å; Y398-Y400 HydrophobicContact CD1-CG 3.96Å; Y398-Y400 AromaticContact CD1-CZ 3.61Å; Y398-Y400 AromaticContact CE1-CD1 3.55Å; Y398-Y400 HydrophobicContact CE1-CD1 3.55Å; Y398-Y400 HydrophobicContact CE1-CD2 4.37Å; Y398-Y400 AromaticContact CE1-CE1 3.48Å; Y398-Y400 HydrophobicContact CE1-CE1 3.48Å; Y398-Y400 VanDerWaalsContact CE1-CE1 3.48Å; Y398-Y400 HydrophobicContact CE1-CE2 4.36Å; Y398-Y400 HydrophobicContact CE1-CG 4.01Å; Y398-Y400 AromaticContact CE1-CZ 3.94Å; Y398-H426 AromaticContact CD2-CE1 3.69Å; Y398-H426 AromaticContact CD2-ND1 3.96Å; Y398-H426 AromaticContact CD2-NE2 3.99Å; Y398-H426 AromaticContact CE2-CE1 3.99Å; Y398-H426 AromaticContact CE2-CG 3.93Å; Y398-H426 AromaticContact CE2-ND1 3.89Å
399D93.1Very high88.8Confident92 Ų9269.6 Ų69.649%0.49236%0.359SS..EExtended strand (participates in β ladder)trans-108.4112.5179.5-61.9-6.6000109.3N380 H381N380-D399 WeakPolarHBondContact O-CA 3.15Å; H381-D399 IonicContact CE1-OD1 3.89Å; H381-D399 PolarHBondContact CE1-OD1 3.29Å; H381-D399 IonicContact CE1-OD2 3.41Å; H381-D399 PolarHBondContact CE1-OD2 2.91Å; H381-D399 IonicContact CG-OD1 2.93Å; H381-D399 IonicContact ND1-OD1 2.93Å; H381-D399 PolarHBondContact ND1-OD1 3.24Å; H381-D399 IonicContact ND1-OD2 3.51Å; H381-D399 PolarHBondContact ND1-OD2 3.09Å
400Y92.2Very high89.8Confident11 Ų1160.8 Ų60.84%0.04332%0.321CS..  trans-78.3154.4174.9-66.2-82.7000111.1N380 V382 Y398 T402 V404 A416 T424 H426N380-Y400 PolarHBondContact ND2-O 3.13Å; N380-Y400 PolarHBondContact O-N 2.82Å; V382-Y400 HydrophobicContact CB-CE2 4.11Å; V382-Y400 HydrophobicContact CG2-CD2 3.88Å; V382-Y400 HydrophobicContact CG2-CE2 3.54Å; Y398-Y400 AromaticContact CD1-CD1 3.87Å; Y398-Y400 HydrophobicContact CD1-CD1 3.87Å; Y398-Y400 AromaticContact CD1-CD2 3.86Å; Y398-Y400 HydrophobicContact CD1-CD2 3.86Å; Y398-Y400 AromaticContact CD1-CE1 3.67Å; Y398-Y400 HydrophobicContact CD1-CE1 3.67Å; Y398-Y400 AromaticContact CD1-CE2 3.71Å; Y398-Y400 HydrophobicContact CD1-CE2 3.71Å; Y398-Y400 AromaticContact CD1-CG 3.96Å; Y398-Y400 HydrophobicContact CD1-CG 3.96Å; Y398-Y400 AromaticContact CD1-CZ 3.61Å; Y398-Y400 AromaticContact CE1-CD1 3.55Å; Y398-Y400 HydrophobicContact CE1-CD1 3.55Å; Y398-Y400 HydrophobicContact CE1-CD2 4.37Å; Y398-Y400 AromaticContact CE1-CE1 3.48Å; Y398-Y400 HydrophobicContact CE1-CE1 3.48Å; Y398-Y400 VanDerWaalsContact CE1-CE1 3.48Å; Y398-Y400 HydrophobicContact CE1-CE2 4.36Å; Y398-Y400 HydrophobicContact CE1-CG 4.01Å; Y398-Y400 AromaticContact CE1-CZ 3.94Å; Y400-T402 WeakPolarHBondContact CB-O 3.41Å; Y400-T402 PolarHBondContact O-N 3.34Å; Y400-V404 HydrophobicContact CD2-CG2 3.28Å; Y400-V404 HydrophobicContact CE2-CG2 3.9Å; Y400-V404 HydrophobicContact CG-CG2 3.68Å; Y400-A416 HydrophobicContact CD1-CB 3.95Å; Y400-A416 HydrophobicContact CD2-CB 4.44Å; Y400-A416 HydrophobicContact CE1-CB 3.4Å; Y400-A416 VanDerWaalsContact CE1-CB 3.4Å; Y400-A416 HydrophobicContact CE2-CB 3.91Å; Y400-A416 HydrophobicContact CG-CB 4.45Å; Y400-T424 HydrophobicContact CE1-CG2 4.38Å; Y400-H426 AromaticContact CE1-NE2 3.98Å; Y400-H426 AromaticContact CZ-NE2 3.66Å; Y400-H426 PolarHBondContact OH-NE2 3.1Å
401L87.1Confident90.7Very high156 Ų15659.7 Ų59.782%0.81731%0.305SS*.SBendtrans-66-27.5179.7-67.1171000112.8
402T87.9Confident91.4Very high48 Ų4855 Ų5529%0.29429%0.286SS..SBendtrans-131.3165.9-179.956.60000109.6N380 Y400 V404 D420N380-T402 VanDerWaalsContact CB-O 3.31Å; N380-T402 WeakPolarHBondContact CB-O 3.31Å; Y400-T402 WeakPolarHBondContact CB-O 3.41Å; Y400-T402 PolarHBondContact O-N 3.34Å; T402-V404 PolarHBondContact O-N 3.13Å; T402-D420 PolarHBondContact OG1-OD1 3.25Å
403T90.5Very high91.8Very high69 Ų6954.1 Ų54.142%0.42328%0.281SS..  trans-58.7132.2171.6520000109.7N379 G418 P419N379-T403 HydrophobicContact CB-CG2 4.41Å; N379-T403 CarbonylContact O-C 3.42Å; T403-G418 WeakPolarHBondContact O-CA 3.43Å; T403-P419 WeakPolarHBondContact O-CD 3.4Å
404V92.4Very high92.1Very high13 Ų1351.3 Ų51.38%0.07926%0.264CS..  trans-80.1120.8178.3177.50000108.9F366 N379 V382 Y400 T402 I407 A416F366-V404 HydrophobicContact CD1-CB 4.46Å; F366-V404 HydrophobicContact CD1-CG1 4.42Å; F366-V404 HydrophobicContact CD2-CG1 4.38Å; F366-V404 HydrophobicContact CE1-CB 3.7Å; F366-V404 HydrophobicContact CE1-CG1 4.04Å; F366-V404 HydrophobicContact CE2-CB 4.27Å; F366-V404 HydrophobicContact CE2-CG1 3.97Å; F366-V404 HydrophobicContact CZ-CB 3.59Å; F366-V404 HydrophobicContact CZ-CG1 3.8Å; F366-V404 HydrophobicContact CZ-CG2 4.16Å; N379-V404 PolarHBondContact O-N 3.27Å; V382-V404 HydrophobicContact CG2-CG2 4.46Å; Y400-V404 HydrophobicContact CD2-CG2 3.28Å; Y400-V404 HydrophobicContact CE2-CG2 3.9Å; Y400-V404 HydrophobicContact CG-CG2 3.68Å; T402-V404 PolarHBondContact O-N 3.13Å; V404-I407 HydrophobicContact CG1-CB 4.24Å; V404-A416 HydrophobicContact CG1-CB 4.12Å; V404-A416 HydrophobicContact CG2-CB 4.31Å
405D88.3Confident92.2Very high105 Ų10547.6 Ų47.656%0.56124%0.244SC*.SBendtrans-89.2-43172-179.553.8000110.4C417D405-C417 PolarHBondContact N-O 2.86Å
406R90.8Very high92.4Very high95 Ų9546 Ų4636%0.35824%0.235SC..EExtended strand (participates in β ladder)trans-139.2144.9177.3-62.2-172.4-166.4-174.50.9112A416 C417 F478R406-A416 WeakPolarHBondContact O-CA 3.4Å; R406-C417 PolarHBondContact N-O 3.03Å; R406-C417 PolarHBondContact O-N 3.37Å; R406-F478 HydrophobicContact CB-CE1 3.91Å; R406-F478 HydrophobicContact CB-CZ 4.31Å; R406-F478 WeakPolarHBondContact O-CZ 3.38Å
407I95.2Very high92.4Very high20 Ų2045 Ų4510%0.10323%0.229CC..EExtended strand (participates in β ladder)trans-130.6142.1173.7-168.4161.3000110.4F366 V382 F384 V404 A415 A416F366-I407 HydrophobicContact CD2-CG2 3.74Å; F366-I407 HydrophobicContact CE2-CG2 4.29Å; V382-I407 HydrophobicContact CG1-CD1 4.04Å; F384-I407 HydrophobicContact CE1-CD1 4.42Å; F384-I407 HydrophobicContact CZ-CD1 4.2Å; V404-I407 HydrophobicContact CG1-CB 4.24Å; I407-A415 CarbonylContact C-O 3.57Å; I407-A415 WeakPolarHBondContact CA-O 3.36Å; I407-A416 HydrophobicContact CB-CB 4.46Å; I407-A416 HydrophobicContact CD1-CB 4.38Å; I407-A416 HydrophobicContact CG1-CB 4.22Å
408S94.7Very high92.2Very high10 Ų1040 Ų407%0.0721%0.207CC..EExtended strand (participates in β ladder)trans-137.2136.6175.2-164.80000109.3A415 L480S408-A415 PolarHBondContact N-O 3.2Å; S408-A415 PolarHBondContact O-N 2.95Å; S408-L480 PolarHBondContact OG-N 3.47Å; S408-L480 PolarHBondContact OG-O 3.33Å
409L94.1Very high91.9Very high10 Ų1041.1 Ų41.15%0.05222%0.224CC..EExtended strand (participates in β ladder)trans-117.8149.5-178.8-58.7169.6000110G368 F384 A414 I428G368-L409 VanDerWaalsContact O-CD1 3.25Å; G368-L409 WeakPolarHBondContact O-CD1 3.45Å; F384-L409 HydrophobicContact CD1-CD2 4.22Å; F384-L409 HydrophobicContact CE1-CD2 3.61Å; L409-A414 HydrophobicContact CD2-CB 3.43Å; L409-A414 VanDerWaalsContact CD2-CB 3.43Å; L409-I428 HydrophobicContact CD2-CD1 3.74Å; L409-I428 HydrophobicContact CD2-CG1 4.41Å
410N91.3Very high91.6Very high6 Ų639.2 Ų39.23%0.03221%0.213CC..  trans-117.7-148.5163719.7000110.1S412 Y413 L480 T481 I499N410-S412 PolarHBondContact OD1-N 3.02Å; N410-Y413 PolarHBondContact N-O 3.03Å; N410-Y413 VanDerWaalsContact N-O 3.09Å; N410-Y413 WeakPolarHBondContact OD1-CA 3.3Å; N410-Y413 WeakPolarHBondContact OD1-CB 3.35Å; N410-Y413 PolarHBondContact OD1-N 3.12Å; N410-Y413 PolarHBondContact OD1-O 3.44Å; N410-L480 HydrophobicContact CB-CD2 4.03Å; N410-L480 HydrophobicContact CB-CG 4.05Å; N410-T481 VanDerWaalsContact CB-O 3.32Å; N410-T481 WeakPolarHBondContact CB-O 3.35Å; N410-T481 PolarHBondContact ND2-O 2.85Å; N410-T481 VanDerWaalsContact ND2-O 3.14Å; N410-I499 VanDerWaalsContact ND2-CD1 3.26Å; N410-I499 WeakPolarHBondContact ND2-CD1 3.26Å
411E89.1Confident91.4Very high74 Ų7438.9 Ų38.935%0.34621%0.214SC..SBendtrans-64.2-36.7177.3-168.1-178.6170.300113.5K372 Y373K372-E411 HydrophobicContact CD-CG 3.91Å; K372-E411 WeakPolarHBondContact CE-OE1 3.49Å; K372-E411 HydrophobicContact CG-CG 4.37Å; K372-E411 IonicContact NZ-OE1 3.02Å; K372-E411 PolarHBondContact NZ-OE1 3.13Å; Y373-E411 WeakPolarHBondContact CD2-O 3.41Å; Y373-E411 WeakPolarHBondContact CE2-O 3.38Å
412S91.3Very high91.5Very high27 Ų2737.3 Ų37.319%0.18920%0.2CC..SBendtrans-138.3-18.9-166.3-58.20000115.4N410 W427 I428N410-S412 PolarHBondContact OD1-N 3.02Å; S412-W427 VanDerWaalsContact CB-CH2 3.42Å; S412-I428 WeakPolarHBondContact O-CG1 3.32Å; S412-I428 PolarHBondContact O-N 3.14Å
413Y94.5Very high91.8Very high11 Ų1135 Ų354%0.04319%0.186CC..EExtended strand (participates in β ladder)trans-113.7149-177-77.1-87.5000111.8N410 L425 H426 W427 R460 L480 I499 W502N410-Y413 PolarHBondContact N-O 3.03Å; N410-Y413 VanDerWaalsContact N-O 3.09Å; N410-Y413 WeakPolarHBondContact OD1-CA 3.3Å; N410-Y413 WeakPolarHBondContact OD1-CB 3.35Å; N410-Y413 PolarHBondContact OD1-N 3.12Å; N410-Y413 PolarHBondContact OD1-O 3.44Å; Y413-L425 HydrophobicContact CD1-CD1 4.1Å; Y413-L425 HydrophobicContact CD1-CD2 4.45Å; Y413-L425 HydrophobicContact CD1-CG 3.95Å; Y413-L425 HydrophobicContact CG-CD1 4.28Å; Y413-H426 WeakPolarHBondContact CA-O 3.49Å; Y413-H426 VanDerWaalsContact CD1-C 3.47Å; Y413-H426 WeakPolarHBondContact CD1-O 3.27Å; Y413-W427 HydrophobicContact CD1-CE3 4.34Å; Y413-W427 AromaticContact CD2-CE3 3.9Å; Y413-W427 HydrophobicContact CD2-CE3 3.9Å; Y413-W427 AromaticContact CD2-CZ3 3.97Å; Y413-W427 HydrophobicContact CD2-CZ3 3.97Å; Y413-W427 HydrophobicContact CE1-CB 4.43Å; Y413-W427 AromaticContact CE1-CE3 3.85Å; Y413-W427 HydrophobicContact CE1-CE3 3.85Å; Y413-W427 AromaticContact CE2-CE3 3.38Å; Y413-W427 HydrophobicContact CE2-CE3 3.38Å; Y413-W427 AromaticContact CE2-CZ3 3.34Å; Y413-W427 HydrophobicContact CE2-CZ3 3.34Å; Y413-W427 HydrophobicContact CG-CE3 4.35Å; Y413-W427 AromaticContact CZ-CE3 3.34Å; Y413-W427 AromaticContact CZ-CZ3 3.71Å; Y413-R460 VanDerWaalsContact CE1-O 3.28Å; Y413-R460 WeakPolarHBondContact CE1-O 3.21Å; Y413-R460 PolarHBondContact OH-O 3.48Å; Y413-L480 WeakPolarHBondContact O-CD2 3.26Å; Y413-I499 HydrophobicContact CD2-CG2 3.74Å; Y413-I499 HydrophobicContact CE2-CG2 3.6Å; Y413-W502 AromaticContact CE1-CH2 3.97Å; Y413-W502 HydrophobicContact CE1-CH2 3.97Å; Y413-W502 AromaticContact CE1-CZ3 3.96Å; Y413-W502 HydrophobicContact CE1-CZ3 3.96Å; Y413-W502 HydrophobicContact CE2-CZ3 4.46Å; Y413-W502 AromaticContact CZ-CZ3 3.73Å
414A95.5Very high92Very high0 Ų032.5 Ų32.50%017%0.171CC..EExtended strand (participates in β ladder)trans-115134.6167.300000109.9F384 L409 L425 H426 I428F384-A414 HydrophobicContact CE1-CB 3.68Å; F384-A414 HydrophobicContact CZ-CB 3.82Å; L409-A414 HydrophobicContact CD2-CB 3.43Å; L409-A414 VanDerWaalsContact CD2-CB 3.43Å; A414-L425 CarbonylContact O-C 3.53Å; A414-L425 WeakPolarHBondContact O-CA 3.48Å; A414-H426 PolarHBondContact N-O 3.27Å; A414-H426 PolarHBondContact O-N 3.43Å; A414-I428 HydrophobicContact CB-CD1 4.34Å; A414-I428 HydrophobicContact CB-CG1 3.83Å
415A95.7Very high92.1Very high0 Ų031.9 Ų31.90%017%0.167CC..EExtended strand (participates in β ladder)trans-117.1122.5171.400000108.9I407 S408 L423 T424 L425 F478 L480 L485I407-A415 CarbonylContact C-O 3.57Å; I407-A415 WeakPolarHBondContact CA-O 3.36Å; S408-A415 PolarHBondContact N-O 3.2Å; S408-A415 PolarHBondContact O-N 2.95Å; A415-L423 HydrophobicContact CB-CD2 4.36Å; A415-T424 VanDerWaalsContact CA-O 3.31Å; A415-T424 WeakPolarHBondContact CA-O 3.49Å; A415-L425 HydrophobicContact CB-CD1 3.95Å; A415-F478 HydrophobicContact CB-CD2 4.09Å; A415-F478 HydrophobicContact CB-CE2 3.55Å; A415-F478 HydrophobicContact CB-CZ 4.44Å; A415-F478 VanDerWaalsContact O-CE2 3.32Å; A415-F478 WeakPolarHBondContact O-CE2 3.39Å; A415-F478 VanDerWaalsContact O-CZ 3.31Å; A415-F478 WeakPolarHBondContact O-CZ 3.31Å; A415-L480 HydrophobicContact CB-CB 4.23Å; A415-L480 HydrophobicContact CB-CD2 4.08Å; A415-L485 HydrophobicContact CB-CD1 4.27Å
416A95.6Very high92.4Very high2 Ų227.1 Ų27.12%0.01714%0.141CC..EExtended strand (participates in β ladder)trans-128.7140.9176.900000110.9Y400 V404 R406 I407 L423 T424Y400-A416 HydrophobicContact CD1-CB 3.95Å; Y400-A416 HydrophobicContact CD2-CB 4.44Å; Y400-A416 HydrophobicContact CE1-CB 3.4Å; Y400-A416 VanDerWaalsContact CE1-CB 3.4Å; Y400-A416 HydrophobicContact CE2-CB 3.91Å; Y400-A416 HydrophobicContact CG-CB 4.45Å; V404-A416 HydrophobicContact CG1-CB 4.12Å; V404-A416 HydrophobicContact CG2-CB 4.31Å; R406-A416 WeakPolarHBondContact O-CA 3.4Å; I407-A416 HydrophobicContact CB-CB 4.46Å; I407-A416 HydrophobicContact CD1-CB 4.38Å; I407-A416 HydrophobicContact CG1-CB 4.22Å; A416-L423 CarbonylContact O-C 3.58Å; A416-L423 WeakPolarHBondContact O-CA 3.11Å; A416-T424 PolarHBondContact N-O 3.04Å; A416-T424 PolarHBondContact O-N 3.05Å
417C93.7Very high92.4Very high12 Ų1225 Ų258%0.08113%0.133CC..EExtended strand (participates in β ladder)trans-127.9137.6177.6-166.30000110.1D405 R406 K422 L423 F478D405-C417 PolarHBondContact N-O 2.86Å; R406-C417 PolarHBondContact N-O 3.03Å; R406-C417 PolarHBondContact O-N 3.37Å; C417-K422 WeakPolarHBondContact CA-O 3.47Å; C417-K422 PolarHBondContact SG-O 3.04Å; C417-L423 HydrophobicContact CB-CB 4.32Å; C417-F478 HydrophobicContact CB-CD1 3.76Å; C417-F478 HydrophobicContact CB-CE1 3.34Å; C417-F478 HydrophobicContact CB-CZ 4.24Å
418G89.2Confident92.3Very high7 Ų724.1 Ų24.17%0.07213%0.129CC..  trans-94.3176170.500000113T403 D420 G421T403-G418 WeakPolarHBondContact O-CA 3.43Å; G418-D420 PolarHBondContact O-N 3.42Å; G418-G421 PolarHBondContact O-N 2.89Å; G418-G421 VanDerWaalsContact O-N 3.07Å
419P86.4Confident92.1Very high96 Ų9624.3 Ų24.362%0.62313%0.129SC*.THydrogen-bonded Turntrans-67.3-11.4178.427.2-33.9000113.5T403 G421T403-P419 WeakPolarHBondContact O-CD 3.4Å; P419-G421 PolarHBondContact O-N 3.31Å
420D87.1Confident91.5Very high51 Ų5127 Ų2727%0.27315%0.147SC..THydrogen-bonded Turntrans-76.3-10.1172.466.3-31.1000113.3T402 G418 K422T402-D420 PolarHBondContact OG1-OD1 3.25Å; G418-D420 PolarHBondContact O-N 3.42Å; D420-K422 WeakPolarHBondContact OD2-CD 3.38Å
421G89Confident91Very high5 Ų535.1 Ų35.15%0.05218%0.182CC..SBendtrans8119.2177.700000113.9G418 P419 I475G418-G421 PolarHBondContact O-N 2.89Å; G418-G421 VanDerWaalsContact O-N 3.07Å; P419-G421 PolarHBondContact O-N 3.31Å; G421-I475 WeakPolarHBondContact O-CB 3.29Å; G421-I475 PolarHBondContact O-N 3.09Å
422K90Very high90.6Very high122 Ų12235.2 Ų35.253%0.5319%0.188SC..  trans-100.1123173.8-67.5-174.1-177.1175.10110.6C417 D420 I464C417-K422 WeakPolarHBondContact CA-O 3.47Å; C417-K422 PolarHBondContact SG-O 3.04Å; D420-K422 WeakPolarHBondContact OD2-CD 3.38Å; K422-I464 HydrophobicContact CB-CG2 4.5Å
423L93.3Very high89.8Confident0 Ų034.3 Ų34.30%018%0.182CC..EExtended strand (participates in β ladder)trans-102125180-179.4148.8000110.3A415 A416 C417 L425 I464 F465 I475 F478 L485A415-L423 HydrophobicContact CB-CD2 4.36Å; A416-L423 CarbonylContact O-C 3.58Å; A416-L423 WeakPolarHBondContact O-CA 3.11Å; C417-L423 HydrophobicContact CB-CB 4.32Å; L423-L425 HydrophobicContact CD2-CB 4.31Å; L423-I464 CarbonylContact O-C 3.55Å; L423-I464 VanDerWaalsContact O-CA 3.31Å; L423-I464 WeakPolarHBondContact O-CA 3.37Å; L423-F465 HydrophobicContact CB-CB 4.35Å; L423-F465 HydrophobicContact CD2-CB 4.29Å; L423-F465 HydrophobicContact CD2-CD2 3.78Å; L423-F465 HydrophobicContact CD2-CG 4.43Å; L423-F465 PolarHBondContact N-O 2.99Å; L423-F465 PolarHBondContact O-N 3.07Å; L423-I475 HydrophobicContact CB-CD1 3.49Å; L423-I475 VanDerWaalsContact CB-CD1 3.49Å; L423-I475 HydrophobicContact CD1-CD1 4.42Å; L423-F478 HydrophobicContact CD1-CB 3.41Å; L423-F478 VanDerWaalsContact CD1-CB 3.41Å; L423-F478 HydrophobicContact CD1-CD1 3.57Å; L423-F478 HydrophobicContact CD1-CD2 3.33Å; L423-F478 HydrophobicContact CD1-CE1 4.12Å; L423-F478 HydrophobicContact CD1-CE2 3.9Å; L423-F478 HydrophobicContact CD1-CG 3.13Å; L423-F478 HydrophobicContact CD1-CZ 4.25Å; L423-F478 HydrophobicContact CG-CG 4.48Å; L423-L485 HydrophobicContact CD1-CD1 4.08Å; L423-L485 HydrophobicContact CD2-CD1 4.17Å; L423-L485 HydrophobicContact CD2-CD2 3.77Å
424T94.5Very high88.5Confident17 Ų1735.4 Ų35.410%0.10419%0.19CC..EExtended strand (participates in β ladder)trans-104.2120.1174.2-54.90000109Y400 A415 A416 C463 I464Y400-T424 HydrophobicContact CE1-CG2 4.38Å; A415-T424 VanDerWaalsContact CA-O 3.31Å; A415-T424 WeakPolarHBondContact CA-O 3.49Å; A416-T424 PolarHBondContact N-O 3.04Å; A416-T424 PolarHBondContact O-N 3.05Å; T424-C463 WeakPolarHBondContact CA-O 3.45Å; T424-I464 HydrophobicContact CG2-CG1 4.48Å
425L94.7Very high86.8Confident0 Ų038.5 Ų38.50%021%0.206CC..EExtended strand (participates in β ladder)trans-103.7122.5171.7-179.672.5000108.5Y413 A414 A415 L423 S462 C463 F465 L480 L485 W502Y413-L425 HydrophobicContact CD1-CD1 4.1Å; Y413-L425 HydrophobicContact CD1-CD2 4.45Å; Y413-L425 HydrophobicContact CD1-CG 3.95Å; Y413-L425 HydrophobicContact CG-CD1 4.28Å; A414-L425 CarbonylContact O-C 3.53Å; A414-L425 WeakPolarHBondContact O-CA 3.48Å; A415-L425 HydrophobicContact CB-CD1 3.95Å; L423-L425 HydrophobicContact CD2-CB 4.31Å; L425-S462 CarbonylContact O-C 3.6Å; L425-S462 VanDerWaalsContact O-CA 3.32Å; L425-S462 WeakPolarHBondContact O-CA 3.35Å; L425-C463 PolarHBondContact N-O 3.31Å; L425-C463 PolarHBondContact O-N 3.27Å; L425-F465 HydrophobicContact CB-CE2 4.12Å; L425-F465 HydrophobicContact CD2-CE2 4.17Å; L425-L480 HydrophobicContact CD1-CD1 3.88Å; L425-L480 HydrophobicContact CD1-CD2 4.18Å; L425-L485 HydrophobicContact CD2-CD2 4.2Å; L425-W502 HydrophobicContact CD2-CH2 3.78Å; L425-W502 HydrophobicContact CD2-CZ3 4.01Å
426H93.7Very high84.8Confident5 Ų544.9 Ų44.92%0.02323%0.234CC..EExtended strand (participates in β ladder)trans-142.6156.4178.370.690.4000112.7F384 Y398 Y400 Y413 A414 E461F384-H426 AromaticContact CZ-CE1 3.87Å; F384-H426 AromaticContact CZ-NE2 3.95Å; Y398-H426 AromaticContact CD2-CE1 3.69Å; Y398-H426 AromaticContact CD2-ND1 3.96Å; Y398-H426 AromaticContact CD2-NE2 3.99Å; Y398-H426 AromaticContact CE2-CE1 3.99Å; Y398-H426 AromaticContact CE2-CG 3.93Å; Y398-H426 AromaticContact CE2-ND1 3.89Å; Y400-H426 AromaticContact CE1-NE2 3.98Å; Y400-H426 AromaticContact CZ-NE2 3.66Å; Y400-H426 PolarHBondContact OH-NE2 3.1Å; Y413-H426 WeakPolarHBondContact CA-O 3.49Å; Y413-H426 VanDerWaalsContact CD1-C 3.47Å; Y413-H426 WeakPolarHBondContact CD1-O 3.27Å; A414-H426 PolarHBondContact N-O 3.27Å; A414-H426 PolarHBondContact O-N 3.43Å; H426-E461 VanDerWaalsContact CA-O 3.31Å; H426-E461 WeakPolarHBondContact CA-O 3.4Å
427W92.7Very high82.5Confident50 Ų5048.5 Ų48.519%0.18926%0.26CS..EExtended strand (participates in β ladder)trans-69.1134.8172.7-164.5-92.6000110.1S412 Y413 N429 T432 P434 E461S412-W427 VanDerWaalsContact CB-CH2 3.42Å; Y413-W427 HydrophobicContact CD1-CE3 4.34Å; Y413-W427 AromaticContact CD2-CE3 3.9Å; Y413-W427 HydrophobicContact CD2-CE3 3.9Å; Y413-W427 AromaticContact CD2-CZ3 3.97Å; Y413-W427 HydrophobicContact CD2-CZ3 3.97Å; Y413-W427 HydrophobicContact CE1-CB 4.43Å; Y413-W427 AromaticContact CE1-CE3 3.85Å; Y413-W427 HydrophobicContact CE1-CE3 3.85Å; Y413-W427 AromaticContact CE2-CE3 3.38Å; Y413-W427 HydrophobicContact CE2-CE3 3.38Å; Y413-W427 AromaticContact CE2-CZ3 3.34Å; Y413-W427 HydrophobicContact CE2-CZ3 3.34Å; Y413-W427 HydrophobicContact CG-CE3 4.35Å; Y413-W427 AromaticContact CZ-CE3 3.34Å; Y413-W427 AromaticContact CZ-CZ3 3.71Å; W427-N429 PolarHBondContact NE1-O 2.94Å; W427-T432 PolarHBondContact NE1-OG1 3.04Å; W427-P434 HydrophobicContact CE3-CG 4.43Å; W427-P434 HydrophobicContact CZ3-CG 4.37Å; W427-E461 PolarHBondContact N-O 3.41Å
428I93Very high80.1Confident1 Ų154.1 Ų54.11%0.00529%0.289CS..SBendtrans-73.6-49.5-172.5-65.1168.1000111.4Y373 F384 T396 L409 S412 A414 P430Y373-I428 HydrophobicContact CD1-CG2 3.78Å; Y373-I428 HydrophobicContact CD2-CB 4.26Å; Y373-I428 HydrophobicContact CD2-CD1 3.64Å; Y373-I428 HydrophobicContact CD2-CG2 4.06Å; Y373-I428 HydrophobicContact CE1-CG2 4.02Å; Y373-I428 HydrophobicContact CE2-CB 4.32Å; Y373-I428 HydrophobicContact CE2-CD1 4.37Å; Y373-I428 HydrophobicContact CE2-CG2 4.3Å; Y373-I428 HydrophobicContact CG-CB 4.49Å; Y373-I428 HydrophobicContact CG-CD1 3.99Å; Y373-I428 HydrophobicContact CG-CG2 3.8Å; F384-I428 HydrophobicContact CB-CG2 3.97Å; F384-I428 HydrophobicContact CD1-CG1 4.35Å; F384-I428 HydrophobicContact CD1-CG2 3.71Å; F384-I428 HydrophobicContact CE1-CG1 4.29Å; F384-I428 HydrophobicContact CE1-CG2 4.4Å; F384-I428 HydrophobicContact CG-CG2 3.92Å; T396-I428 WeakPolarHBondContact CG2-O 3.3Å; L409-I428 HydrophobicContact CD2-CD1 3.74Å; L409-I428 HydrophobicContact CD2-CG1 4.41Å; S412-I428 WeakPolarHBondContact O-CG1 3.32Å; S412-I428 PolarHBondContact O-N 3.14Å; A414-I428 HydrophobicContact CB-CD1 4.34Å; A414-I428 HydrophobicContact CB-CG1 3.83Å; I428-P430 WeakPolarHBondContact O-CD 3.25Å
429N90.1Very high77.8Confident14 Ų1462.1 Ų62.18%0.07533%0.326CS..  trans-105.1101.8-174.3-177-13.5000111.2Y373 V395 W427 K431 T432Y373-N429 HydrophobicContact CE1-CB 4.4Å; Y373-N429 VanDerWaalsContact OH-CB 3.32Å; Y373-N429 WeakPolarHBondContact OH-CB 3.2Å; V395-N429 HydrophobicContact CG1-CB 4.12Å; W427-N429 PolarHBondContact NE1-O 2.94Å; N429-K431 PolarHBondContact O-N 3.34Å; N429-K431 WeakPolarHBondContact OD1-CB 3.32Å; N429-K431 PolarHBondContact OD1-N 2.84Å; N429-K431 VanDerWaalsContact OD1-N 3.14Å; N429-T432 PolarHBondContact O-N 3.45Å; N429-T432 PolarHBondContact O-OG1 3.04Å
430P80.9Confident75.4Confident68 Ų6862.7 Ų62.744%0.44233%0.328SS..THydrogen-bonded Turntrans-62.4-14.3-173.5-19.231.3000114.4I428 T432 K436I428-P430 WeakPolarHBondContact O-CD 3.25Å; P430-T432 VanDerWaalsContact C-N 3.31Å; P430-K436 PolarHBondContact O-NZ 3.09Å
431K81.3Confident72.7Confident176 Ų17666.4 Ų66.477%0.76535%0.348SS*.THydrogen-bonded Turntrans-77-19.8177.2-59.8176.4-177.61690112.6N429N429-K431 PolarHBondContact O-N 3.34Å; N429-K431 WeakPolarHBondContact OD1-CB 3.32Å; N429-K431 PolarHBondContact OD1-N 2.84Å; N429-K431 VanDerWaalsContact OD1-N 3.14Å
432T81.2Confident70Confident76 Ų7673.8 Ų73.847%0.46639%0.386SS..SBendtrans-114.412.9-173.959.10000113.2W427 N429 P430W427-T432 PolarHBondContact NE1-OG1 3.04Å; N429-T432 PolarHBondContact O-N 3.45Å; N429-T432 PolarHBondContact O-OG1 3.04Å; P430-T432 VanDerWaalsContact C-N 3.31Å
433S74Confident67Low8 Ų877 Ų776%0.05640%0.403CS..  trans-64.1141-174.765.30000112.3D435 K436 E461S433-D435 VanDerWaalsContact C-N 3.27Å; S433-D435 PolarHBondContact O-N 3.48Å; S433-K436 PolarHBondContact O-N 3.28Å; S433-E461 WeakPolarHBondContact CB-OE1 3.17Å; S433-E461 PolarHBondContact OG-OE1 2.99Å
434P66.2Low64Low33 Ų3384 Ų8421%0.21444%0.441CS..G310 helixtrans-63.4-27.8-175.121.4-31.2000113.9W427 K436 S437 R460W427-P434 HydrophobicContact CE3-CG 4.43Å; W427-P434 HydrophobicContact CZ3-CG 4.37Å; P434-K436 PolarHBondContact O-N 3.27Å; P434-S437 PolarHBondContact O-N 3.23Å; P434-S437 PolarHBondContact O-OG 3.36Å; P434-R460 HydrophobicContact CG-CB 4.16Å
435D61.4Low60.9Low65 Ų6592.7 Ų92.735%0.34848%0.477SS..G310 helixtrans-75.7-8.7-174.5-71.1-17.1000113.7S433 E461S433-D435 VanDerWaalsContact C-N 3.27Å; S433-D435 PolarHBondContact O-N 3.48Å; D435-E461 HydrophobicContact CB-CG 4.2Å
436K53.1Low57.7Low135 Ų13599.8 Ų99.859%0.58751%0.514SS*.G310 helixtrans-82.4-21.2173.9-74.7177.3-177.2164.20113.9P430 S433 P434P430-K436 PolarHBondContact O-NZ 3.09Å; S433-K436 PolarHBondContact O-N 3.28Å; P434-K436 PolarHBondContact O-N 3.27Å
437S47.4Very low54.7Low78 Ų78107.3 Ų107.355%0.54556%0.555SS.*THydrogen-bonded Turntrans-86-27.2-18034.80000114.3P434P434-S437 PolarHBondContact O-N 3.23Å; P434-S437 PolarHBondContact O-OG 3.36Å
438D44Very low51.6Low129 Ų129114.1 Ų114.169%0.6959%0.586SS**THydrogen-bonded Turntrans-93.6-0.7-174.2-79.7-20.3000115.1T440D438-T440 PolarHBondContact O-N 3.2Å
439M40.2Very low48.5Very low175 Ų175120.3 Ų120.386%0.86262%0.624SS**THydrogen-bonded Turntrans-79.44.5171.3-83.7-12017500114.4
440T36.3Very low45.8Very low109 Ų109127.9 Ų127.967%0.66966%0.663SS**SBendtrans-121.7-7.2-18056.80000116.9D438D438-T440 PolarHBondContact O-N 3.2Å
441N30.7Very low43.2Very low129 Ų129135.6 Ų135.669%0.6968%0.684SS**SBendtrans-155.788.7176.4-85.9-38.8000112
442N31.1Very low40.6Very low159 Ų159133.9 Ų133.985%0.8568%0.683SS**  trans160.858.6145.6-82.7-28.2000112.3N444N442-N444 VanDerWaalsContact C-N 3.33Å; N442-N444 PolarHBondContact O-N 2.98Å
443Q28.4Very low38.2Very low189 Ų189137.2 Ų137.288%0.88370%0.698SS**  trans-78.391147-78.1-177.6-11.300107.2
444N28.8Very low36.2Very low149 Ų149144.8 Ų144.880%0.79774%0.737SS**  trans15490152.3-79.7-32.7000112.1N442N442-N444 VanDerWaalsContact C-N 3.33Å; N442-N444 PolarHBondContact O-N 2.98Å
445K29.7Very low34.9Very low198 Ų198148.8 Ų148.886%0.86176%0.761SS**  158.5138.4124.5-92.8172.8174.6173.70112.6
446L28.2Very low34.1Very low150 Ų150152.2 Ų152.279%0.78578%0.78SS**  trans72.2101.4166.2-91.480000117.4
447N30.9Very low34.1Very low163 Ų163155.5 Ų155.587%0.87280%0.797SS**  -161.3112109.5-89-20000111.4
448K27.4Very low34.7Very low192 Ų192154.1 Ų154.184%0.83578%0.783SS**  trans-117135160.6-125.4-179.9-176178.40104.6
449T28.5Very low36.3Very low131 Ų131150.3 Ų150.380%0.80477%0.767SS**  trans76.8123.9177.475.90000113.6
450L32.3Very low38.3Very low174 Ų174146.6 Ų146.691%0.91174%0.743SS**  cis-138152.220.3-88.4131.1000110.6
451R27.1Very low40.5Very low230 Ų230145.2 Ų145.287%0.86873%0.729SS**  trans-86.7136.8179.9-65.4178168.3-179.8-5.2110.6
452N25.5Very low43.1Very low140 Ų140141.8 Ų141.875%0.74972%0.715SS**  154.4125.2121.5-82.3-4.6000109.5
453D30.5Very low45.9Very low146 Ų146134.5 Ų134.578%0.78168%0.677SS**  trans128.4130.6153.9-64-9000114.7T455D453-T455 PolarHBondContact O-N 3.33Å
454D32.9Very low48.8Very low166 Ų166129.5 Ų129.589%0.88866%0.655SS**  trans-72.265.8-159.7-63.5-51.9000114.8
455T39.4Very low51.8Low117 Ų117122.4 Ų122.472%0.71862%0.617SS**  trans-96.396.7163.956.70000109.8D453D453-T455 PolarHBondContact O-N 3.33Å
456N44.6Very low54.4Low138 Ų138114 Ų11474%0.73858%0.583SS**  trans-41.8142.1168.3-79.3-42.6000111.5L458N456-L458 VanDerWaalsContact C-N 3.34Å; N456-L458 WeakPolarHBondContact O-CG 3.21Å; N456-L458 PolarHBondContact O-N 3.4Å
457H52.1Low56.6Low203 Ų203110 Ų11094%0.9456%0.56SS**  trans-57.992.3169.6-78.5-76.5000110.5S459H457-S459 PolarHBondContact O-N 3.13Å
458L61.3Low58.5Low49 Ų49104.8 Ų104.826%0.25754%0.537SS..  trans-73.9117176-66.4155.8000108.8N456 C463 Q467 W502N456-L458 VanDerWaalsContact C-N 3.34Å; N456-L458 WeakPolarHBondContact O-CG 3.21Å; N456-L458 PolarHBondContact O-N 3.4Å; L458-C463 VanDerWaalsContact CD2-SG 3.59Å; L458-Q467 VanDerWaalsContact CD2-CD 3.46Å; L458-Q467 HydrophobicContact CD2-CG 4.1Å; L458-W502 PolarHBondContact O-NE1 2.93Å; L458-W502 VanDerWaalsContact O-NE1 3.07Å
459S76.3Confident59.9Low50 Ų50102 Ų10235%0.3554%0.536SS..  trans-63.8137.9178.382.70000110.6H457 E461 S462 W502H457-S459 PolarHBondContact O-N 3.13Å; S459-E461 PolarHBondContact O-N 2.82Å; S459-S462 VanDerWaalsContact O-O 3.12Å; S459-S462 PolarHBondContact OG-N 3.46Å; S459-S462 VanDerWaalsContact OG-N 3.17Å; S459-S462 PolarHBondContact OG-O 2.69Å; S459-W502 WeakPolarHBondContact O-CZ2 3.42Å
460R82Confident61.6Low96 Ų9699 Ų9936%0.36252%0.52SS..SBendtrans-72.9-16175.6-76.7-173.7169.1-146.1-8.5112.3Y413 P434 S500 W502Y413-R460 VanDerWaalsContact CE1-O 3.28Å; Y413-R460 WeakPolarHBondContact CE1-O 3.21Å; Y413-R460 PolarHBondContact OH-O 3.48Å; P434-R460 HydrophobicContact CG-CB 4.16Å; R460-S500 PolarHBondContact NH2-O 3.03Å; R460-W502 HydrophobicContact CG-CD2 3.97Å; R460-W502 HydrophobicContact CG-CE3 4.31Å; R460-W502 HydrophobicContact CG-CG 4.21Å
461E82.8Confident63.3Low81 Ų81100.4 Ų100.438%0.37952%0.519SS..SBendtrans-73-44.1175.2-63.8-164.2143.900112.8H426 W427 S433 D435 S459H426-E461 VanDerWaalsContact CA-O 3.31Å; H426-E461 WeakPolarHBondContact CA-O 3.4Å; W427-E461 PolarHBondContact N-O 3.41Å; S433-E461 WeakPolarHBondContact CB-OE1 3.17Å; S433-E461 PolarHBondContact OG-OE1 2.99Å; D435-E461 HydrophobicContact CB-CG 4.2Å; S459-E461 PolarHBondContact O-N 2.82Å
462S86.1Confident65.8Low57 Ų5795.3 Ų95.340%0.39951%0.509SS..EExtended strand (participates in β ladder)trans-154.6145.2177.467.80000113.4L425 S459L425-S462 CarbonylContact O-C 3.6Å; L425-S462 VanDerWaalsContact O-CA 3.32Å; L425-S462 WeakPolarHBondContact O-CA 3.35Å; S459-S462 VanDerWaalsContact O-O 3.12Å; S459-S462 PolarHBondContact OG-N 3.46Å; S459-S462 VanDerWaalsContact OG-N 3.17Å; S459-S462 PolarHBondContact OG-O 2.69Å
463C90.2Very high68.6Low5 Ų589.9 Ų89.93%0.03448%0.48CS..EExtended strand (participates in β ladder)trans-147.5144.1-178.9178.30000110.6T424 L425 L458 F465 W502T424-C463 WeakPolarHBondContact CA-O 3.45Å; L425-C463 PolarHBondContact N-O 3.31Å; L425-C463 PolarHBondContact O-N 3.27Å; L458-C463 VanDerWaalsContact CD2-SG 3.59Å; C463-F465 HydrophobicContact CB-CE2 3.99Å; C463-F465 WeakPolarHBondContact SG-CE2 3.39Å; C463-F465 WeakPolarHBondContact SG-CZ 3.46Å; C463-W502 HydrophobicContact CB-CZ2 4.04Å
464I89.6Confident71.5Confident84 Ų8487.8 Ų87.843%0.43146%0.464SS..EExtended strand (participates in β ladder)trans-113.3133.1174.6-58.6174.2000109.1K422 L423 T424K422-I464 HydrophobicContact CB-CG2 4.5Å; L423-I464 CarbonylContact O-C 3.55Å; L423-I464 VanDerWaalsContact O-CA 3.31Å; L423-I464 WeakPolarHBondContact O-CA 3.37Å; T424-I464 HydrophobicContact CG2-CG1 4.48Å
465F90.3Very high74.4Confident0 Ų080.3 Ų80.30%042%0.424CS..EExtended strand (participates in β ladder)trans-116.9149.9174.6-62.5-93.2000110.4L423 L425 C463 Q467 I475 L485 Y487 F497L423-F465 HydrophobicContact CB-CB 4.35Å; L423-F465 HydrophobicContact CD2-CB 4.29Å; L423-F465 HydrophobicContact CD2-CD2 3.78Å; L423-F465 HydrophobicContact CD2-CG 4.43Å; L423-F465 PolarHBondContact N-O 2.99Å; L423-F465 PolarHBondContact O-N 3.07Å; L425-F465 HydrophobicContact CB-CE2 4.12Å; L425-F465 HydrophobicContact CD2-CE2 4.17Å; C463-F465 HydrophobicContact CB-CE2 3.99Å; C463-F465 WeakPolarHBondContact SG-CE2 3.39Å; C463-F465 WeakPolarHBondContact SG-CZ 3.46Å; F465-Q467 HydrophobicContact CD1-CG 4.41Å; F465-Q467 VanDerWaalsContact CE1-NE2 3.34Å; F465-I475 HydrophobicContact CB-CD1 3.82Å; F465-L485 HydrophobicContact CD2-CD2 3.79Å; F465-L485 HydrophobicContact CE2-CD2 3.59Å; F465-L485 HydrophobicContact CG-CD2 4.4Å; F465-L485 HydrophobicContact CZ-CD2 4.06Å; F465-Y487 HydrophobicContact CB-CE1 4.49Å; F465-Y487 AromaticContact CD1-CE1 3.92Å; F465-Y487 HydrophobicContact CD1-CE1 3.92Å; F465-Y487 HydrophobicContact CE1-CE1 4.47Å; F465-Y487 HydrophobicContact CG-CE1 4.35Å; F465-F497 HydrophobicContact CE1-CD2 4.21Å; F465-F497 HydrophobicContact CE1-CE2 4.42Å; F465-F497 HydrophobicContact CE1-CG 4.39Å; F465-F497 HydrophobicContact CZ-CD1 4.17Å; F465-F497 HydrophobicContact CZ-CD2 4.27Å; F465-F497 HydrophobicContact CZ-CE1 4.17Å; F465-F497 HydrophobicContact CZ-CE2 4.29Å; F465-F497 HydrophobicContact CZ-CG 4.21Å; F465-F497 HydrophobicContact CZ-CZ 4.23Å
466P83.9Confident77Confident21 Ų2176.9 Ų76.914%0.13640%0.403CS..  cis-74150.8-631.9-32000111.2S468 L473P466-S468 VanDerWaalsContact C-N 3.26Å; P466-S468 PolarHBondContact O-N 3.33Å; P466-L473 HydrophobicContact CB-CD2 3.6Å; P466-L473 HydrophobicContact CB-CG 4.31Å; P466-L473 HydrophobicContact CG-CB 4.4Å; P466-L473 HydrophobicContact CG-CD2 3.77Å; P466-L473 HydrophobicContact CG-CG 4.01Å
467Q76Confident79.3Confident66 Ų6670.5 Ų70.531%0.30837%0.369SS..  trans-80.7-10.2-179.8-67168.217.100113.5L458 F465L458-Q467 VanDerWaalsContact CD2-CD 3.46Å; L458-Q467 HydrophobicContact CD2-CG 4.1Å; F465-Q467 HydrophobicContact CD1-CG 4.41Å; F465-Q467 VanDerWaalsContact CE1-NE2 3.34Å
468S70.2Confident81.4Confident55 Ų5561.5 Ų61.539%0.38533%0.327SS..  trans-63.8137.9177.11590000111P466 S470P466-S468 VanDerWaalsContact C-N 3.26Å; P466-S468 PolarHBondContact O-N 3.33Å; S468-S470 PolarHBondContact O-N 2.89Å; S468-S470 WeakPolarHBondContact OG-CB 3.44Å; S468-S470 PolarHBondContact OG-N 2.86Å; S468-S470 PolarHBondContact OG-OG 2.79Å
469T57Low83Confident133 Ų13363.6 Ų63.682%0.81633%0.334SS*.  trans-76.54176.549.60000113.5F471T469-F471 PolarHBondContact O-N 2.82Å
470S64.4Low83.8Confident68 Ų6861.6 Ų61.648%0.47632%0.32SS..  trans-76109.7-179.6-47.20000110S468 D472 L473S468-S470 PolarHBondContact O-N 2.89Å; S468-S470 WeakPolarHBondContact OG-CB 3.44Å; S468-S470 PolarHBondContact OG-N 2.86Å; S468-S470 PolarHBondContact OG-OG 2.79Å; S470-D472 PolarHBondContact O-N 2.55Å; S470-L473 PolarHBondContact O-N 2.73Å; S470-L473 VanDerWaalsContact O-N 3.13Å
471F66.5Low84.2Confident203 Ų20357.4 Ų57.489%0.8931%0.305SS*.THydrogen-bonded Turntrans-57.7-21.3-178.3-79.5-84.8000114.6T469T469-F471 PolarHBondContact O-N 2.82Å
472D80.3Confident84.5Confident124 Ų12455.8 Ų55.866%0.66330%0.299SS*.THydrogen-bonded Turntrans-92.6-10-178.6-74.1-22.1000114.6S470 K474 N490S470-D472 PolarHBondContact O-N 2.55Å; D472-K474 PolarHBondContact O-N 2.75Å; D472-N490 PolarHBondContact O-ND2 3.45Å; D472-N490 PolarHBondContact O-OD1 3.18Å
473L85.7Confident84.6Confident26 Ų2657 Ų5714%0.13630%0.301CS..  trans-79.1113.7179.9-172.573.5000109.6P466 S470 T489 H491P466-L473 HydrophobicContact CB-CD2 3.6Å; P466-L473 HydrophobicContact CB-CG 4.31Å; P466-L473 HydrophobicContact CG-CB 4.4Å; P466-L473 HydrophobicContact CG-CD2 3.77Å; P466-L473 HydrophobicContact CG-CG 4.01Å; S470-L473 PolarHBondContact O-N 2.73Å; S470-L473 VanDerWaalsContact O-N 3.13Å; L473-T489 HydrophobicContact CD1-CG2 3.92Å; L473-T489 HydrophobicContact CG-CG2 4.39Å; L473-H491 HydrophobicContact CD1-CB 4.39Å; L473-H491 VanDerWaalsContact CD1-CD2 3.47Å; L473-H491 WeakPolarHBondContact CD1-CD2 3.35Å
474K90.5Very high84.8Confident101 Ų10158.6 Ų58.644%0.43931%0.307SS..  trans-121.9136.5-179.1-65.4-176.3-179.5-178.70110.5D472 T476 T489 N490D472-K474 PolarHBondContact O-N 2.75Å; K474-T476 PolarHBondContact O-N 3.29Å; K474-T489 WeakPolarHBondContact O-CA 3.4Å; K474-N490 PolarHBondContact N-OD1 3.11Å; K474-N490 PolarHBondContact O-N 3.16Å; K474-N490 PolarHBondContact O-OD1 3.46Å
475I93.5Very high85.1Confident10 Ų1054.6 Ų54.65%0.05129%0.287CS..EExtended strand (participates in β ladder)trans-71.9125.6169.5-68.6168.8000108.3G421 L423 F465 F478 Y487 S488G421-I475 WeakPolarHBondContact O-CB 3.29Å; G421-I475 PolarHBondContact O-N 3.09Å; L423-I475 HydrophobicContact CB-CD1 3.49Å; L423-I475 VanDerWaalsContact CB-CD1 3.49Å; L423-I475 HydrophobicContact CD1-CD1 4.42Å; F465-I475 HydrophobicContact CB-CD1 3.82Å; I475-F478 HydrophobicContact CG2-CB 4.35Å; I475-Y487 HydrophobicContact CD1-CD2 3.97Å; I475-Y487 HydrophobicContact CD1-CE2 4.39Å; I475-Y487 HydrophobicContact CD1-CG 4.19Å; I475-Y487 HydrophobicContact CG1-CD2 3.82Å; I475-Y487 HydrophobicContact CG1-CE2 4.35Å; I475-Y487 HydrophobicContact CG1-CG 4.39Å; I475-S488 VanDerWaalsContact CA-O 3.31Å; I475-S488 WeakPolarHBondContact CA-O 3.4Å
476T93.3Very high85.3Confident45 Ų4554.6 Ų54.628%0.27629%0.287SS..EExtended strand (participates in β ladder)trans-94.2-33-179.950.30000112.1K474 S488 N490 I514K474-T476 PolarHBondContact O-N 3.29Å; T476-S488 PolarHBondContact N-O 3.49Å; T476-S488 PolarHBondContact OG1-O 3.27Å; T476-S488 PolarHBondContact OG1-OG 2.96Å; T476-N490 HydrophobicContact CG2-CB 3.93Å; T476-I514 WeakPolarHBondContact CB-O 3.2Å; T476-I514 WeakPolarHBondContact CG2-O 3.48Å; T476-I514 PolarHBondContact OG1-O 2.81Å
477S94.2Very high85.9Confident4 Ų453.8 Ų53.83%0.02828%0.281CS..EExtended strand (participates in β ladder)trans-157.8151.3177.6-175.20000110.3Y487 S488 I517S477-Y487 CarbonylContact O-C 3.49Å; S477-Y487 VanDerWaalsContact O-CA 3.3Å; S477-Y487 WeakPolarHBondContact O-CA 3.12Å; S477-S488 PolarHBondContact N-OG 3.15Å; S477-S488 PolarHBondContact O-N 2.99Å; S477-S488 PolarHBondContact O-OG 2.84Å; S477-I517 WeakPolarHBondContact OG-CG1 3.24Å; S477-I517 PolarHBondContact OG-N 2.8Å
478F95.6Very high86.8Confident14 Ų1450.7 Ų50.76%0.06127%0.266CS..EExtended strand (participates in β ladder)trans-147.9162.8176.278.2-83.7000111.9R406 A415 C417 L423 I475 L485 I486R406-F478 HydrophobicContact CB-CE1 3.91Å; R406-F478 HydrophobicContact CB-CZ 4.31Å; R406-F478 WeakPolarHBondContact O-CZ 3.38Å; A415-F478 HydrophobicContact CB-CD2 4.09Å; A415-F478 HydrophobicContact CB-CE2 3.55Å; A415-F478 HydrophobicContact CB-CZ 4.44Å; A415-F478 VanDerWaalsContact O-CE2 3.32Å; A415-F478 WeakPolarHBondContact O-CE2 3.39Å; A415-F478 VanDerWaalsContact O-CZ 3.31Å; A415-F478 WeakPolarHBondContact O-CZ 3.31Å; C417-F478 HydrophobicContact CB-CD1 3.76Å; C417-F478 HydrophobicContact CB-CE1 3.34Å; C417-F478 HydrophobicContact CB-CZ 4.24Å; L423-F478 HydrophobicContact CD1-CB 3.41Å; L423-F478 VanDerWaalsContact CD1-CB 3.41Å; L423-F478 HydrophobicContact CD1-CD1 3.57Å; L423-F478 HydrophobicContact CD1-CD2 3.33Å; L423-F478 HydrophobicContact CD1-CE1 4.12Å; L423-F478 HydrophobicContact CD1-CE2 3.9Å; L423-F478 HydrophobicContact CD1-CG 3.13Å; L423-F478 HydrophobicContact CD1-CZ 4.25Å; L423-F478 HydrophobicContact CG-CG 4.48Å; I475-F478 HydrophobicContact CG2-CB 4.35Å; F478-L485 HydrophobicContact CD2-CD1 4.24Å; F478-I486 CarbonylContact C-O 3.47Å; F478-I486 WeakPolarHBondContact CA-O 3.3Å; F478-I486 WeakPolarHBondContact CB-O 3.4Å
479K94.1Very high87.9Confident93 Ų9348 Ų4840%0.40425%0.248SC..EExtended strand (participates in β ladder)trans-147.9140.2168.1-16768.5173.5178.20110I486 P519K479-I486 PolarHBondContact N-O 3.39Å; K479-I486 PolarHBondContact O-N 3.43Å; K479-P519 HydrophobicContact CB-CG 3.45Å; K479-P519 VanDerWaalsContact CB-CG 3.45Å; K479-P519 HydrophobicContact CG-CG 3.64Å
480L93.7Very high89.6Confident7 Ų744 Ų444%0.03722%0.222CC..EExtended strand (participates in β ladder)trans-101.8119.2172.2-167.866.6000108.9S408 N410 Y413 A415 L425 L485 I499S408-L480 PolarHBondContact OG-N 3.47Å; S408-L480 PolarHBondContact OG-O 3.33Å; N410-L480 HydrophobicContact CB-CD2 4.03Å; N410-L480 HydrophobicContact CB-CG 4.05Å; Y413-L480 WeakPolarHBondContact O-CD2 3.26Å; A415-L480 HydrophobicContact CB-CB 4.23Å; A415-L480 HydrophobicContact CB-CD2 4.08Å; L425-L480 HydrophobicContact CD1-CD1 3.88Å; L425-L480 HydrophobicContact CD1-CD2 4.18Å; L480-L485 HydrophobicContact CD1-CB 3.91Å; L480-L485 HydrophobicContact CD1-CD1 4.14Å; L480-I499 HydrophobicContact CD1-CD1 3.51Å; L480-I499 HydrophobicContact CG-CD1 4.41Å
481T91.3Very high90.8Very high8 Ų845.5 Ų45.55%0.04922%0.221CC..  trans-99.4179.7168.367.10000109.1N410 D483 F484N410-T481 VanDerWaalsContact CB-O 3.32Å; N410-T481 WeakPolarHBondContact CB-O 3.35Å; N410-T481 PolarHBondContact ND2-O 2.85Å; N410-T481 VanDerWaalsContact ND2-O 3.14Å; T481-D483 VanDerWaalsContact C-N 3.29Å; T481-D483 PolarHBondContact O-N 3.1Å; T481-F484 PolarHBondContact N-O 2.94Å; T481-F484 WeakPolarHBondContact OG1-CA 3.08Å; T481-F484 PolarHBondContact OG1-N 2.89Å; T481-F484 PolarHBondContact OG1-O 3.5Å
482N87.6Confident92.1Very high48 Ų4835.8 Ų35.826%0.25718%0.178SC..SBendtrans-63.8-36.7175.6-77.6-3.5000112.2
483D89.7Confident92.7Very high82 Ų8231.6 Ų31.644%0.43916%0.155SC..SBendtrans-105-28.6-172.8-55.7-43.8000113.1T481 I499T481-D483 VanDerWaalsContact C-N 3.29Å; T481-D483 PolarHBondContact O-N 3.1Å; D483-I499 PolarHBondContact O-N 3.2Å
484F93.4Very high93.2Very high39 Ų3930.4 Ų30.417%0.17115%0.148CC..EExtended strand (participates in β ladder)trans-128.4138.5-173.1-56.5-78.2000113.7T481 I486 F497 N498 A505T481-F484 PolarHBondContact N-O 2.94Å; T481-F484 WeakPolarHBondContact OG1-CA 3.08Å; T481-F484 PolarHBondContact OG1-N 2.89Å; T481-F484 PolarHBondContact OG1-O 3.5Å; F484-I486 HydrophobicContact CB-CD1 4.3Å; F484-I486 HydrophobicContact CB-CG1 3.88Å; F484-F497 CarbonylContact C-O 3.56Å; F484-F497 VanDerWaalsContact CA-O 3.27Å; F484-F497 WeakPolarHBondContact CA-O 3.24Å; F484-N498 HydrophobicContact CD1-CB 4.11Å; F484-N498 HydrophobicContact CE1-CB 3.98Å; F484-A505 HydrophobicContact CE1-CB 4Å
485L95.1Very high93.3Very high0 Ų026.9 Ų26.90%013%0.133CC..EExtended strand (participates in β ladder)trans-90.2117.7153.8170.365.9000108.1A415 L423 L425 F465 F478 L480 Y487 F497A415-L485 HydrophobicContact CB-CD1 4.27Å; L423-L485 HydrophobicContact CD1-CD1 4.08Å; L423-L485 HydrophobicContact CD2-CD1 4.17Å; L423-L485 HydrophobicContact CD2-CD2 3.77Å; L425-L485 HydrophobicContact CD2-CD2 4.2Å; F465-L485 HydrophobicContact CD2-CD2 3.79Å; F465-L485 HydrophobicContact CE2-CD2 3.59Å; F465-L485 HydrophobicContact CG-CD2 4.4Å; F465-L485 HydrophobicContact CZ-CD2 4.06Å; F478-L485 HydrophobicContact CD2-CD1 4.24Å; L480-L485 HydrophobicContact CD1-CB 3.91Å; L480-L485 HydrophobicContact CD1-CD1 4.14Å; L485-Y487 HydrophobicContact CD2-CD1 4.4Å; L485-Y487 HydrophobicContact CG-CD1 4.24Å; L485-F497 HydrophobicContact CB-CB 4.27Å; L485-F497 HydrophobicContact CB-CD1 4.45Å; L485-F497 PolarHBondContact N-O 2.88Å; L485-F497 PolarHBondContact O-N 3.47Å
486I96.1Very high93.4Very high0 Ų026.6 Ų26.60%013%0.131CC..EExtended strand (participates in β ladder)trans-113.3129.1179.4-51.8173.7000108.2F478 K479 F484 I494 F495 I517 P519 V526F478-I486 CarbonylContact C-O 3.47Å; F478-I486 WeakPolarHBondContact CA-O 3.3Å; F478-I486 WeakPolarHBondContact CB-O 3.4Å; K479-I486 PolarHBondContact N-O 3.39Å; K479-I486 PolarHBondContact O-N 3.43Å; F484-I486 HydrophobicContact CB-CD1 4.3Å; F484-I486 HydrophobicContact CB-CG1 3.88Å; I486-I494 HydrophobicContact CG2-CG2 4.02Å; I486-F495 VanDerWaalsContact CA-O 3.29Å; I486-F495 WeakPolarHBondContact CA-O 3.39Å; I486-I517 HydrophobicContact CB-CD1 4.3Å; I486-I517 HydrophobicContact CG2-CD1 3.76Å; I486-P519 HydrophobicContact CD1-CB 3.71Å; I486-P519 HydrophobicContact CD1-CG 4.13Å; I486-V526 HydrophobicContact CD1-CG2 4.29Å; I486-V526 HydrophobicContact CG2-CG2 4.18Å
487Y95.7Very high93.4Very high4 Ų424.5 Ų24.52%0.01612%0.118CC..EExtended strand (participates in β ladder)trans-144.5151.8177.466.1-94.7000112.8F465 I475 S477 L485 T489 I494 F495 Y504F465-Y487 HydrophobicContact CB-CE1 4.49Å; F465-Y487 AromaticContact CD1-CE1 3.92Å; F465-Y487 HydrophobicContact CD1-CE1 3.92Å; F465-Y487 HydrophobicContact CE1-CE1 4.47Å; F465-Y487 HydrophobicContact CG-CE1 4.35Å; I475-Y487 HydrophobicContact CD1-CD2 3.97Å; I475-Y487 HydrophobicContact CD1-CE2 4.39Å; I475-Y487 HydrophobicContact CD1-CG 4.19Å; I475-Y487 HydrophobicContact CG1-CD2 3.82Å; I475-Y487 HydrophobicContact CG1-CE2 4.35Å; I475-Y487 HydrophobicContact CG1-CG 4.39Å; S477-Y487 CarbonylContact O-C 3.49Å; S477-Y487 VanDerWaalsContact O-CA 3.3Å; S477-Y487 WeakPolarHBondContact O-CA 3.12Å; L485-Y487 HydrophobicContact CD2-CD1 4.4Å; L485-Y487 HydrophobicContact CG-CD1 4.24Å; Y487-T489 HydrophobicContact CD2-CG2 4.35Å; Y487-T489 HydrophobicContact CE2-CG2 4.25Å; Y487-I494 WeakPolarHBondContact O-CA 3.28Å; Y487-F495 HydrophobicContact CD1-CB 4.14Å; Y487-F495 HydrophobicContact CD2-CB 4.24Å; Y487-F495 AromaticContact CD2-CD2 3.97Å; Y487-F495 HydrophobicContact CD2-CD2 3.97Å; Y487-F495 HydrophobicContact CD2-CG 4.49Å; Y487-F495 HydrophobicContact CE1-CB 3.68Å; Y487-F495 HydrophobicContact CE1-CG 4.32Å; Y487-F495 HydrophobicContact CE2-CB 3.77Å; Y487-F495 AromaticContact CE2-CD2 3.25Å; Y487-F495 HydrophobicContact CE2-CD2 3.25Å; Y487-F495 HydrophobicContact CE2-CE2 4.03Å; Y487-F495 AromaticContact CE2-CG 3.7Å; Y487-F495 HydrophobicContact CE2-CG 3.7Å; Y487-F495 HydrophobicContact CG-CB 4.41Å; Y487-F495 VanDerWaalsContact CZ-CB 3.46Å; Y487-F495 AromaticContact CZ-CD2 3.68Å; Y487-F495 AromaticContact CZ-CG 3.59Å; Y487-F495 PolarHBondContact N-O 3.01Å; Y487-F495 VanDerWaalsContact N-O 3.12Å; Y487-F495 PolarHBondContact O-N 3.4Å; Y487-F495 WeakPolarHBondContact OH-CG 3.4Å; Y487-Y504 HydrophobicContact CE1-CE1 4.29Å; Y487-Y504 WeakPolarHBondContact OH-CE1 3.48Å; Y487-Y504 PolarHBondContact OH-OH 3.35Å
488S95.4Very high93.4Very high0 Ų025.3 Ų25.30%012%0.123CC..EExtended strand (participates in β ladder)trans-111155.5174.960.40000112.5I475 T476 S477 E493I475-S488 VanDerWaalsContact CA-O 3.31Å; I475-S488 WeakPolarHBondContact CA-O 3.4Å; T476-S488 PolarHBondContact N-O 3.49Å; T476-S488 PolarHBondContact OG1-O 3.27Å; T476-S488 PolarHBondContact OG1-OG 2.96Å; S477-S488 PolarHBondContact N-OG 3.15Å; S477-S488 PolarHBondContact O-N 2.99Å; S477-S488 PolarHBondContact O-OG 2.84Å; S488-E493 CarbonylContact C-O 3.01Å; S488-E493 WeakPolarHBondContact CA-O 3.42Å
489T93.2Very high93.1Very high0 Ų025.3 Ų25.30%012%0.123CC..EExtended strand (participates in β ladder)trans-116.7159.7178.473.20000112.6L473 K474 Y487 H491 G492 E493 F495L473-T489 HydrophobicContact CD1-CG2 3.92Å; L473-T489 HydrophobicContact CG-CG2 4.39Å; K474-T489 WeakPolarHBondContact O-CA 3.4Å; Y487-T489 HydrophobicContact CD2-CG2 4.35Å; Y487-T489 HydrophobicContact CE2-CG2 4.25Å; T489-H491 PolarHBondContact O-N 3.28Å; T489-H491 VanDerWaalsContact O-N 3.11Å; T489-H491 PolarHBondContact OG1-N 3.43Å; T489-G492 PolarHBondContact O-N 2.77Å; T489-E493 HydrophobicContact CG2-CB 4.4Å; T489-E493 PolarHBondContact N-O 2.82Å; T489-E493 WeakPolarHBondContact OG1-CB 3.5Å; T489-E493 PolarHBondContact OG1-N 3.36Å; T489-E493 PolarHBondContact OG1-OE2 3.16Å; T489-F495 HydrophobicContact CG2-CD2 4.26Å; T489-F495 HydrophobicContact CG2-CE2 3.94Å
490N91.7Very high92.8Very high49 Ų4924.2 Ų24.226%0.26213%0.127SC..THydrogen-bonded Turntrans-63.2-10.717264.8-40.2000113.8D472 K474 T476 S513D472-N490 PolarHBondContact O-ND2 3.45Å; D472-N490 PolarHBondContact O-OD1 3.18Å; K474-N490 PolarHBondContact N-OD1 3.11Å; K474-N490 PolarHBondContact O-N 3.16Å; K474-N490 PolarHBondContact O-OD1 3.46Å; T476-N490 HydrophobicContact CG2-CB 3.93Å; N490-S513 VanDerWaalsContact CA-OG 3.28Å; N490-S513 WeakPolarHBondContact CA-OG 3.47Å; N490-S513 VanDerWaalsContact O-CB 3.27Å; N490-S513 WeakPolarHBondContact O-CB 3.45Å; N490-S513 PolarHBondContact O-OG 2.81Å
491H91Very high92.5Very high98 Ų9829.2 Ų29.245%0.45415%0.154SC..THydrogen-bonded Turntrans-94.25.2173.8-72.3-76.3000113.7L473 T489L473-H491 HydrophobicContact CD1-CB 4.39Å; L473-H491 VanDerWaalsContact CD1-CD2 3.47Å; L473-H491 WeakPolarHBondContact CD1-CD2 3.35Å; T489-H491 PolarHBondContact O-N 3.28Å; T489-H491 VanDerWaalsContact O-N 3.11Å; T489-H491 PolarHBondContact OG1-N 3.43Å
492G92.2Very high92.4Very high0 Ų030.2 Ų30.20%016%0.157CC..SBendtrans8718.2175.500000114.6T489 H510 C512 I514T489-G492 PolarHBondContact O-N 2.77Å; G492-H510 VanDerWaalsContact O-CB 3.32Å; G492-H510 WeakPolarHBondContact O-CB 3.4Å; G492-H510 PolarHBondContact O-N 2.94Å; G492-C512 WeakPolarHBondContact CA-O 3.11Å; G492-I514 WeakPolarHBondContact O-CD1 3.11Å
493E93.6Very high92.6Very high36 Ų3632.8 Ų32.817%0.16817%0.17CC..EExtended strand (participates in β ladder)trans-94.2149179.7-59.3169.5140.600111.3S488 T489 F495 Y508 R509S488-E493 CarbonylContact C-O 3.01Å; S488-E493 WeakPolarHBondContact CA-O 3.42Å; T489-E493 HydrophobicContact CG2-CB 4.4Å; T489-E493 PolarHBondContact N-O 2.82Å; T489-E493 WeakPolarHBondContact OG1-CB 3.5Å; T489-E493 PolarHBondContact OG1-N 3.36Å; T489-E493 PolarHBondContact OG1-OE2 3.16Å; E493-F495 HydrophobicContact CB-CD2 4.2Å; E493-F495 HydrophobicContact CB-CE2 3.56Å; E493-F495 HydrophobicContact CB-CZ 4.2Å; E493-F495 HydrophobicContact CG-CE2 4.4Å; E493-F495 WeakPolarHBondContact OE2-CE2 3.37Å; E493-Y508 CarbonylContact C-O 3.57Å; E493-Y508 WeakPolarHBondContact CA-O 3.33Å; E493-R509 HydrophobicContact CG-CG 4.3Å
494I95.6Very high92.6Very high0 Ų032.4 Ų32.40%016%0.164CC..EExtended strand (participates in β ladder)trans-123.7118.1170.2-53.7178.2000108.6I486 Y487 N507 Y508 I514 F528I486-I494 HydrophobicContact CG2-CG2 4.02Å; Y487-I494 WeakPolarHBondContact O-CA 3.28Å; I494-N507 WeakPolarHBondContact O-CA 3.31Å; I494-Y508 HydrophobicContact CD1-CD1 4.01Å; I494-Y508 HydrophobicContact CG1-CD1 4.23Å; I494-Y508 PolarHBondContact N-O 3.3Å; I494-Y508 PolarHBondContact O-N 2.79Å; I494-I514 HydrophobicContact CD1-CD1 3.76Å; I494-I514 HydrophobicContact CG1-CD1 3.36Å; I494-F528 HydrophobicContact CD1-CB 4.49Å; I494-F528 HydrophobicContact CD1-CD1 3.65Å; I494-F528 HydrophobicContact CD1-CE1 3.94Å; I494-F528 HydrophobicContact CD1-CG 4.09Å
495F94Very high92.4Very high27 Ų2733.5 Ų33.512%0.11818%0.179CC..EExtended strand (participates in β ladder)trans-103.6134.3177.7-68.1-90.5000110.7I486 Y487 T489 E493 Y504 N507I486-F495 VanDerWaalsContact CA-O 3.29Å; I486-F495 WeakPolarHBondContact CA-O 3.39Å; Y487-F495 HydrophobicContact CD1-CB 4.14Å; Y487-F495 HydrophobicContact CD2-CB 4.24Å; Y487-F495 AromaticContact CD2-CD2 3.97Å; Y487-F495 HydrophobicContact CD2-CD2 3.97Å; Y487-F495 HydrophobicContact CD2-CG 4.49Å; Y487-F495 HydrophobicContact CE1-CB 3.68Å; Y487-F495 HydrophobicContact CE1-CG 4.32Å; Y487-F495 HydrophobicContact CE2-CB 3.77Å; Y487-F495 AromaticContact CE2-CD2 3.25Å; Y487-F495 HydrophobicContact CE2-CD2 3.25Å; Y487-F495 HydrophobicContact CE2-CE2 4.03Å; Y487-F495 AromaticContact CE2-CG 3.7Å; Y487-F495 HydrophobicContact CE2-CG 3.7Å; Y487-F495 HydrophobicContact CG-CB 4.41Å; Y487-F495 VanDerWaalsContact CZ-CB 3.46Å; Y487-F495 AromaticContact CZ-CD2 3.68Å; Y487-F495 AromaticContact CZ-CG 3.59Å; Y487-F495 PolarHBondContact N-O 3.01Å; Y487-F495 VanDerWaalsContact N-O 3.12Å; Y487-F495 PolarHBondContact O-N 3.4Å; Y487-F495 WeakPolarHBondContact OH-CG 3.4Å; T489-F495 HydrophobicContact CG2-CD2 4.26Å; T489-F495 HydrophobicContact CG2-CE2 3.94Å; E493-F495 HydrophobicContact CB-CD2 4.2Å; E493-F495 HydrophobicContact CB-CE2 3.56Å; E493-F495 HydrophobicContact CB-CZ 4.2Å; E493-F495 HydrophobicContact CG-CE2 4.4Å; E493-F495 WeakPolarHBondContact OE2-CE2 3.37Å; F495-Y504 HydrophobicContact CB-CD1 4.25Å; F495-Y504 HydrophobicContact CB-CE1 4.16Å; F495-Y504 AromaticContact CD1-CD1 3.83Å; F495-Y504 HydrophobicContact CD1-CD1 3.83Å; F495-Y504 AromaticContact CD1-CE1 3.77Å; F495-Y504 HydrophobicContact CD1-CE1 3.77Å; F495-Y504 HydrophobicContact CG-CD1 4.48Å; F495-Y504 HydrophobicContact CG-CE1 4.25Å; F495-N507 HydrophobicContact CD1-CB 4.16Å; F495-N507 HydrophobicContact CE1-CB 4.16Å; F495-N507 WeakPolarHBondContact CE1-ND2 3.44Å
496H94.5Very high92.2Very high4 Ų435 Ų352%0.01919%0.188CC..EExtended strand (participates in β ladder)trans-108.8107.9166.9-68.966000108.3Y504 A505 N506 V526H496-Y504 CarbonylContact O-C 3.58Å; H496-Y504 WeakPolarHBondContact O-CA 3.49Å; H496-A505 HydrophobicContact CB-CB 4.46Å; H496-A505 PolarHBondContact O-N 2.9Å; H496-N506 HydrophobicContact CB-CB 4.37Å; H496-N506 PolarHBondContact N-O 3.29Å; H496-N506 PolarHBondContact O-N 2.97Å; H496-V526 WeakPolarHBondContact NE2-CG2 3.26Å
497F93.4Very high92Very high1 Ų138.9 Ų38.90%0.00421%0.208CC..EExtended strand (participates in β ladder)trans-101.6116.9176.8-177.3-94.1000109.7F465 F484 L485 W502 Y504F465-F497 HydrophobicContact CE1-CD2 4.21Å; F465-F497 HydrophobicContact CE1-CE2 4.42Å; F465-F497 HydrophobicContact CE1-CG 4.39Å; F465-F497 HydrophobicContact CZ-CD1 4.17Å; F465-F497 HydrophobicContact CZ-CD2 4.27Å; F465-F497 HydrophobicContact CZ-CE1 4.17Å; F465-F497 HydrophobicContact CZ-CE2 4.29Å; F465-F497 HydrophobicContact CZ-CG 4.21Å; F465-F497 HydrophobicContact CZ-CZ 4.23Å; F484-F497 CarbonylContact C-O 3.56Å; F484-F497 VanDerWaalsContact CA-O 3.27Å; F484-F497 WeakPolarHBondContact CA-O 3.24Å; L485-F497 HydrophobicContact CB-CB 4.27Å; L485-F497 HydrophobicContact CB-CD1 4.45Å; L485-F497 PolarHBondContact N-O 2.88Å; L485-F497 PolarHBondContact O-N 3.47Å; F497-W502 AromaticContact CE1-CD2 3.97Å; F497-W502 HydrophobicContact CE1-CD2 3.97Å; F497-W502 AromaticContact CE1-CE3 3.84Å; F497-W502 HydrophobicContact CE1-CE3 3.84Å; F497-W502 HydrophobicContact CE1-CG 4.45Å; F497-W502 HydrophobicContact CE1-CZ3 4.2Å; F497-W502 VanDerWaalsContact CZ-C 3.41Å; F497-W502 HydrophobicContact CZ-CB 4.4Å; F497-W502 AromaticContact CZ-CD2 3.82Å; F497-W502 HydrophobicContact CZ-CD2 3.82Å; F497-W502 HydrophobicContact CZ-CE3 4.19Å; F497-W502 AromaticContact CZ-CG 3.92Å; F497-W502 HydrophobicContact CZ-CG 3.92Å; F497-Y504 HydrophobicContact CB-CD1 4.2Å; F497-Y504 HydrophobicContact CB-CE1 4.31Å; F497-Y504 AromaticContact CD2-CD1 3.97Å; F497-Y504 HydrophobicContact CD2-CD1 3.97Å; F497-Y504 HydrophobicContact CD2-CD2 4.37Å; F497-Y504 AromaticContact CD2-CE1 3.98Å; F497-Y504 HydrophobicContact CD2-CE1 3.98Å; F497-Y504 HydrophobicContact CD2-CE2 4.38Å; F497-Y504 HydrophobicContact CD2-CG 4.18Å
498N93.3Very high91.9Very high22 Ų2240.6 Ų40.612%0.11822%0.215CC..EExtended strand (participates in β ladder)trans-77.4124.5177.9-176.9-26.8000109.9F484 S500 D501 W502 N503 A505F484-N498 HydrophobicContact CD1-CB 4.11Å; F484-N498 HydrophobicContact CE1-CB 3.98Å; N498-S500 PolarHBondContact OD1-N 3.08Å; N498-S500 PolarHBondContact OD1-OG 3.23Å; N498-D501 HydrophobicContact CB-CB 4.28Å; N498-D501 PolarHBondContact ND2-OD2 3.24Å; N498-D501 PolarHBondContact OD1-N 3.28Å; N498-W502 VanDerWaalsContact O-CA 3.22Å; N498-W502 WeakPolarHBondContact O-CA 3.44Å; N498-W502 PolarHBondContact O-N 2.84Å; N498-N503 PolarHBondContact N-O 2.93Å; N498-N503 PolarHBondContact O-N 3.33Å; N498-A505 HydrophobicContact CB-CB 4.39Å
499I90.7Very high91.8Very high13 Ų1349.2 Ų49.27%0.06725%0.248CC..THydrogen-bonded Turntrans-76.2-37.7-176.3-57.5171.9000111.5N410 Y413 L480 D483N410-I499 VanDerWaalsContact ND2-CD1 3.26Å; N410-I499 WeakPolarHBondContact ND2-CD1 3.26Å; Y413-I499 HydrophobicContact CD2-CG2 3.74Å; Y413-I499 HydrophobicContact CE2-CG2 3.6Å; L480-I499 HydrophobicContact CD1-CD1 3.51Å; L480-I499 HydrophobicContact CG-CD1 4.41Å; D483-I499 PolarHBondContact O-N 3.2Å
500S87.9Confident91.8Very high71 Ų7150 Ų5050%0.49725%0.251SS..THydrogen-bonded Turntrans-68-45.4179.866.60000111.3R460 N498 W502R460-S500 PolarHBondContact NH2-O 3.03Å; N498-S500 PolarHBondContact OD1-N 3.08Å; N498-S500 PolarHBondContact OD1-OG 3.23Å; S500-W502 VanDerWaalsContact C-N 3.35Å
501D87.6Confident91.8Very high112 Ų11255.3 Ų55.360%0.59928%0.28SS*.THydrogen-bonded Turntrans-85.5-16.1-175.6-60.8-8.8000111.7N498 N503N498-D501 HydrophobicContact CB-CB 4.28Å; N498-D501 PolarHBondContact ND2-OD2 3.24Å; N498-D501 PolarHBondContact OD1-N 3.28Å; D501-N503 VanDerWaalsContact C-N 3.32Å; D501-N503 PolarHBondContact O-N 3.38Å
502W89.6Confident91.8Very high29 Ų2951.1 Ų51.111%0.1126%0.261CS..THydrogen-bonded Turntrans55.944.2-177.7-153.8-107.2000112.8Y413 L425 L458 S459 R460 C463 F497 N498 S500Y413-W502 AromaticContact CE1-CH2 3.97Å; Y413-W502 HydrophobicContact CE1-CH2 3.97Å; Y413-W502 AromaticContact CE1-CZ3 3.96Å; Y413-W502 HydrophobicContact CE1-CZ3 3.96Å; Y413-W502 HydrophobicContact CE2-CZ3 4.46Å; Y413-W502 AromaticContact CZ-CZ3 3.73Å; L425-W502 HydrophobicContact CD2-CH2 3.78Å; L425-W502 HydrophobicContact CD2-CZ3 4.01Å; L458-W502 PolarHBondContact O-NE1 2.93Å; L458-W502 VanDerWaalsContact O-NE1 3.07Å; S459-W502 WeakPolarHBondContact O-CZ2 3.42Å; R460-W502 HydrophobicContact CG-CD2 3.97Å; R460-W502 HydrophobicContact CG-CE3 4.31Å; R460-W502 HydrophobicContact CG-CG 4.21Å; C463-W502 HydrophobicContact CB-CZ2 4.04Å; F497-W502 AromaticContact CE1-CD2 3.97Å; F497-W502 HydrophobicContact CE1-CD2 3.97Å; F497-W502 AromaticContact CE1-CE3 3.84Å; F497-W502 HydrophobicContact CE1-CE3 3.84Å; F497-W502 HydrophobicContact CE1-CG 4.45Å; F497-W502 HydrophobicContact CE1-CZ3 4.2Å; F497-W502 VanDerWaalsContact CZ-C 3.41Å; F497-W502 HydrophobicContact CZ-CB 4.4Å; F497-W502 AromaticContact CZ-CD2 3.82Å; F497-W502 HydrophobicContact CZ-CD2 3.82Å; F497-W502 HydrophobicContact CZ-CE3 4.19Å; F497-W502 AromaticContact CZ-CG 3.92Å; F497-W502 HydrophobicContact CZ-CG 3.92Å; N498-W502 VanDerWaalsContact O-CA 3.22Å; N498-W502 WeakPolarHBondContact O-CA 3.44Å; N498-W502 PolarHBondContact O-N 2.84Å; S500-W502 VanDerWaalsContact C-N 3.35Å
503N90.5Very high91.7Very high101 Ų10152.1 Ų52.154%0.5427%0.268SS..EExtended strand (participates in β ladder)trans-149.2160.4-177.1-162.69.2000112.2N498 D501 A505N498-N503 PolarHBondContact N-O 2.93Å; N498-N503 PolarHBondContact O-N 3.33Å; D501-N503 VanDerWaalsContact C-N 3.32Å; D501-N503 PolarHBondContact O-N 3.38Å; N503-A505 PolarHBondContact O-N 2.72Å
504Y89.6Confident91.7Very high75 Ų7550.4 Ų50.429%0.29426%0.26SS..EExtended strand (participates in β ladder)trans-71.5123.7173.8-64.9-78.6000111Y487 F495 H496 F497Y487-Y504 HydrophobicContact CE1-CE1 4.29Å; Y487-Y504 WeakPolarHBondContact OH-CE1 3.48Å; Y487-Y504 PolarHBondContact OH-OH 3.35Å; F495-Y504 HydrophobicContact CB-CD1 4.25Å; F495-Y504 HydrophobicContact CB-CE1 4.16Å; F495-Y504 AromaticContact CD1-CD1 3.83Å; F495-Y504 HydrophobicContact CD1-CD1 3.83Å; F495-Y504 AromaticContact CD1-CE1 3.77Å; F495-Y504 HydrophobicContact CD1-CE1 3.77Å; F495-Y504 HydrophobicContact CG-CD1 4.48Å; F495-Y504 HydrophobicContact CG-CE1 4.25Å; H496-Y504 CarbonylContact O-C 3.58Å; H496-Y504 WeakPolarHBondContact O-CA 3.49Å; F497-Y504 HydrophobicContact CB-CD1 4.2Å; F497-Y504 HydrophobicContact CB-CE1 4.31Å; F497-Y504 AromaticContact CD2-CD1 3.97Å; F497-Y504 HydrophobicContact CD2-CD1 3.97Å; F497-Y504 HydrophobicContact CD2-CD2 4.37Å; F497-Y504 AromaticContact CD2-CE1 3.98Å; F497-Y504 HydrophobicContact CD2-CE1 3.98Å; F497-Y504 HydrophobicContact CD2-CE2 4.38Å; F497-Y504 HydrophobicContact CD2-CG 4.18Å
505A90.3Very high91.5Very high61 Ų6154 Ų5450%0.50428%0.279SS..EExtended strand (participates in β ladder)trans-88.4-38.5177.200000112.6F484 H496 N498 N503F484-A505 HydrophobicContact CE1-CB 4Å; H496-A505 HydrophobicContact CB-CB 4.46Å; H496-A505 PolarHBondContact O-N 2.9Å; N498-A505 HydrophobicContact CB-CB 4.39Å; N503-A505 PolarHBondContact O-N 2.72Å
506N90.5Very high91.5Very high32 Ų3255.2 Ų55.217%0.17129%0.285CS..EExtended strand (participates in β ladder)trans-150.6151.3175.4-163.71000111.1H496 Y538 P540 D543H496-N506 HydrophobicContact CB-CB 4.37Å; H496-N506 PolarHBondContact N-O 3.29Å; H496-N506 PolarHBondContact O-N 2.97Å; N506-Y538 PolarHBondContact ND2-OH 2.81Å; N506-P540 HydrophobicContact CB-CB 4.22Å; N506-P540 WeakPolarHBondContact ND2-CA 3.41Å; N506-P540 WeakPolarHBondContact ND2-CB 3.22Å; N506-P540 PolarHBondContact ND2-O 3.11Å; N506-D543 PolarHBondContact ND2-OD1 2.94Å; N506-D543 VanDerWaalsContact ND2-OD1 3.13Å
507N91.2Very high91.5Very high81 Ų8155.3 Ų55.343%0.43329%0.286SS..EExtended strand (participates in β ladder)trans-133.7119.6169.9179.63.2000109.6I494 F495I494-N507 WeakPolarHBondContact O-CA 3.31Å; F495-N507 HydrophobicContact CD1-CB 4.16Å; F495-N507 HydrophobicContact CE1-CB 4.16Å; F495-N507 WeakPolarHBondContact CE1-ND2 3.44Å
508Y93.7Very high91.6Very high41 Ų4156.4 Ų56.416%0.16129%0.29CS..EExtended strand (participates in β ladder)trans-110.2143.5175.4174.5-104.6000111.1E493 I494 H510 F528 Y538 L545E493-Y508 CarbonylContact C-O 3.57Å; E493-Y508 WeakPolarHBondContact CA-O 3.33Å; I494-Y508 HydrophobicContact CD1-CD1 4.01Å; I494-Y508 HydrophobicContact CG1-CD1 4.23Å; I494-Y508 PolarHBondContact N-O 3.3Å; I494-Y508 PolarHBondContact O-N 2.79Å; Y508-H510 HydrophobicContact CE1-CB 3.88Å; Y508-F528 HydrophobicContact CE1-CE1 4.38Å; Y508-F528 HydrophobicContact CE1-CZ 4.16Å; Y508-Y538 HydrophobicContact CD2-CD2 4.12Å; Y508-Y538 AromaticContact CD2-CE2 3.5Å; Y508-Y538 HydrophobicContact CD2-CE2 3.5Å; Y508-Y538 AromaticContact CD2-CZ 3.78Å; Y508-Y538 HydrophobicContact CE2-CD2 4.37Å; Y508-Y538 HydrophobicContact CE2-CE2 4.06Å; Y508-Y538 HydrophobicContact CG-CD2 4.21Å; Y508-Y538 HydrophobicContact CG-CE1 4.12Å; Y508-Y538 AromaticContact CG-CE2 3.79Å; Y508-Y538 HydrophobicContact CG-CE2 3.79Å; Y508-Y538 AromaticContact CG-CZ 3.74Å; Y508-L545 HydrophobicContact CE1-CD1 4.44Å; Y508-L545 WeakPolarHBondContact OH-CD2 3.41Å
509R93.5Very high91.6Very high180 Ų18056.1 Ų56.168%0.67929%0.29SS*.EExtended strand (participates in β ladder)trans-122.8115.9176.2-173.6173.9-179.9165.41.9111.4E493E493-R509 HydrophobicContact CG-CG 4.3Å
510H93.8Very high91.6Very high16 Ų1656.5 Ų56.57%0.07429%0.292CS..  trans-85.2159.3171.7-16645.8000111.3G492 Y508 C512 I514 F528 D530 F536G492-H510 VanDerWaalsContact O-CB 3.32Å; G492-H510 WeakPolarHBondContact O-CB 3.4Å; G492-H510 PolarHBondContact O-N 2.94Å; Y508-H510 HydrophobicContact CE1-CB 3.88Å; H510-C512 VanDerWaalsContact C-N 3.28Å; H510-C512 PolarHBondContact CD2-O 2.86Å; H510-C512 PolarHBondContact O-N 2.84Å; H510-I514 HydrophobicContact CB-CD1 4.11Å; H510-I514 HydrophobicContact CB-CG1 4.31Å; H510-F528 AromaticContact CD2-CE2 3.84Å; H510-F528 AromaticContact NE2-CE2 3.99Å; H510-D530 IonicContact CD2-OD2 2.66Å; H510-D530 IonicContact NE2-OD2 2.81Å; H510-D530 PolarHBondContact NE2-OD2 3.09Å; H510-F536 AromaticContact CE1-CE2 3.86Å; H510-F536 AromaticContact NE2-CE2 3.81Å
511N90.9Very high91.4Very high161 Ų16154.6 Ų54.686%0.86128%0.28SS*.SBendtrans-76-16.1179.9-69.8-26.1000113.7
512C90.7Very high91.3Very high11 Ų1152.2 Ų52.27%0.07427%0.267CS..SBendtrans-128.2158.5-175.1-760000110.5G492 H510 I514 D530 E531 K532G492-C512 WeakPolarHBondContact CA-O 3.11Å; H510-C512 VanDerWaalsContact C-N 3.28Å; H510-C512 PolarHBondContact CD2-O 2.86Å; H510-C512 PolarHBondContact O-N 2.84Å; C512-I514 PolarHBondContact O-N 2.86Å; C512-D530 HydrophobicContact CB-CB 4.17Å; C512-E531 WeakPolarHBondContact CA-OE1 3.3Å; C512-E531 HydrophobicContact CB-CG 4.04Å; C512-E531 VanDerWaalsContact CB-OE1 3.31Å; C512-E531 WeakPolarHBondContact CB-OE1 3.48Å; C512-E531 PolarHBondContact SG-OE1 2.96Å; C512-E531 VanDerWaalsContact SG-OE1 3.42Å; C512-K532 WeakPolarHBondContact SG-CE 3.39Å; C512-K532 PolarHBondContact SG-NZ 3.45Å
513S90.9Very high91.2Very high20 Ų2050.9 Ų50.914%0.1426%0.262CS..  trans-58.8137.9173.2-163.10000110.8N490 D530 E531N490-S513 VanDerWaalsContact CA-OG 3.28Å; N490-S513 WeakPolarHBondContact CA-OG 3.47Å; N490-S513 VanDerWaalsContact O-CB 3.27Å; N490-S513 WeakPolarHBondContact O-CB 3.45Å; N490-S513 PolarHBondContact O-OG 2.81Å; S513-D530 CarbonylContact O-C 3.45Å; S513-D530 VanDerWaalsContact O-CA 3.32Å; S513-D530 WeakPolarHBondContact O-CA 3.41Å; S513-D530 WeakPolarHBondContact O-CB 3.36Å; S513-E531 VanDerWaalsContact CB-OE2 3.31Å; S513-E531 WeakPolarHBondContact CB-OE2 3.42Å; S513-E531 PolarHBondContact N-OE1 2.79Å; S513-E531 PolarHBondContact O-N 2.97Å
514I93.7Very high91.2Very high0 Ų048.9 Ų48.90%025%0.254CS..EExtended strand (participates in β ladder)trans-97.6125177.8-65.7168.8000108.2T476 G492 I494 H510 C512 I517 F528T476-I514 WeakPolarHBondContact CB-O 3.2Å; T476-I514 WeakPolarHBondContact CG2-O 3.48Å; T476-I514 PolarHBondContact OG1-O 2.81Å; G492-I514 WeakPolarHBondContact O-CD1 3.11Å; I494-I514 HydrophobicContact CD1-CD1 3.76Å; I494-I514 HydrophobicContact CG1-CD1 3.36Å; H510-I514 HydrophobicContact CB-CD1 4.11Å; H510-I514 HydrophobicContact CB-CG1 4.31Å; C512-I514 PolarHBondContact O-N 2.86Å; I514-I517 HydrophobicContact CG2-CG2 3.82Å; I514-F528 HydrophobicContact CD1-CD2 4.12Å; I514-F528 HydrophobicContact CD1-CE2 4.25Å; I514-F528 HydrophobicContact CG1-CD2 3.94Å; I514-F528 HydrophobicContact CG1-CE2 4.16Å; I514-F528 HydrophobicContact CG2-CB 4.09Å; I514-F528 HydrophobicContact CG2-CD2 4.2Å; I514-F528 HydrophobicContact CG2-CG 4.48Å
515L91.7Very high91.3Very high75 Ų7546.2 Ų46.239%0.39324%0.243SC..EExtended strand (participates in β ladder)trans-85.4-49.7-179.9-63.7178.1000111.4V529L515-V529 PolarHBondContact N-O 2.92Å
516H92.6Very high91.5Very high54 Ų5443.3 Ų43.325%0.2522%0.219CC..EExtended strand (participates in β ladder)trans-139.9145.9-172.9-58.5-43.9000111.6F518 F528 V529H516-F518 HydrophobicContact CB-CE2 3.66Å; H516-F518 HydrophobicContact CB-CZ 3.67Å; H516-F528 CarbonylContact O-C 3.51Å; H516-F528 WeakPolarHBondContact O-CA 3.29Å; H516-F528 WeakPolarHBondContact O-CB 3.37Å; H516-V529 PolarHBondContact N-O 3.31Å; H516-V529 PolarHBondContact O-N 3.05Å
517I95.4Very high91.7Very high6 Ų641.8 Ų41.83%0.03121%0.211CC..EExtended strand (participates in β ladder)trans-125.8146.4172.663.9165.3000111S477 I486 I514 V526 A527 F528S477-I517 WeakPolarHBondContact OG-CG1 3.24Å; S477-I517 PolarHBondContact OG-N 2.8Å; I486-I517 HydrophobicContact CB-CD1 4.3Å; I486-I517 HydrophobicContact CG2-CD1 3.76Å; I514-I517 HydrophobicContact CG2-CG2 3.82Å; I517-V526 HydrophobicContact CB-CG1 3.91Å; I517-V526 HydrophobicContact CG2-CG1 4.23Å; I517-A527 CarbonylContact C-O 3.54Å; I517-A527 WeakPolarHBondContact CA-O 3.35Å; I517-F528 HydrophobicContact CG2-CB 3.87Å
518F94.8Very high91.9Very high23 Ų2337.9 Ų37.910%0.10119%0.19CC..EExtended strand (participates in β ladder)trans-139.386.6-178.3-51.2-83.4000108H516 A527 V529 S556 N557 I558 W560H516-F518 HydrophobicContact CB-CE2 3.66Å; H516-F518 HydrophobicContact CB-CZ 3.67Å; F518-A527 HydrophobicContact CB-CB 4.35Å; F518-A527 PolarHBondContact N-O 2.92Å; F518-A527 PolarHBondContact O-N 2.95Å; F518-V529 HydrophobicContact CE2-CG2 4.35Å; F518-S556 WeakPolarHBondContact CZ-O 3.39Å; F518-N557 HydrophobicContact CE1-CB 4.37Å; F518-I558 HydrophobicContact CB-CB 4.03Å; F518-I558 HydrophobicContact CD1-CB 4.3Å; F518-I558 VanDerWaalsContact CD1-O 3.26Å; F518-I558 WeakPolarHBondContact CD1-O 3.12Å; F518-I558 HydrophobicContact CD2-CB 3.66Å; F518-I558 HydrophobicContact CD2-CD1 3.92Å; F518-I558 HydrophobicContact CD2-CG1 3.85Å; F518-I558 HydrophobicContact CE2-CB 4.19Å; F518-I558 HydrophobicContact CE2-CD1 4.23Å; F518-I558 HydrophobicContact CE2-CG1 4.01Å; F518-I558 HydrophobicContact CG-CB 3.73Å; F518-I558 HydrophobicContact CG-CG1 4.42Å; F518-W560 PolarHBondContact O-NE1 2.66Å
519P93.4Very high92Very high16 Ų1636.3 Ų36.310%0.10419%0.185CC..EExtended strand (participates in β ladder)trans-74153.3174.227.7-29.6000111.9K479 I486 R525 V526K479-P519 HydrophobicContact CB-CG 3.45Å; K479-P519 VanDerWaalsContact CB-CG 3.45Å; K479-P519 HydrophobicContact CG-CG 3.64Å; I486-P519 HydrophobicContact CD1-CB 3.71Å; I486-P519 HydrophobicContact CD1-CG 4.13Å; P519-R525 CarbonylContact C-O 3.5Å; P519-R525 VanDerWaalsContact CA-O 3.25Å; P519-R525 WeakPolarHBondContact CA-O 3.39Å; P519-V526 HydrophobicContact CB-CG2 4.19Å
520N90.7Very high91.9Very high21 Ų2127.9 Ų27.911%0.11215%0.153CC..  trans-67.6167.2167.171.5-22000110.6I522 G523 T524 R525 W560N520-I522 PolarHBondContact O-N 2.8Å; N520-G523 PolarHBondContact O-N 2.88Å; N520-G523 WeakPolarHBondContact OD1-CA 3.49Å; N520-G523 PolarHBondContact OD1-N 2.91Å; N520-T524 PolarHBondContact ND2-OG1 2.72Å; N520-T524 PolarHBondContact OD1-N 3.25Å; N520-R525 PolarHBondContact N-O 3.16Å; N520-R525 PolarHBondContact OD1-N 3.18Å; N520-R525 PolarHBondContact OD1-O 2.82Å; N520-W560 HydrophobicContact CB-CD2 3.89Å; N520-W560 HydrophobicContact CB-CE3 4.25Å; N520-W560 HydrophobicContact CB-CG 3.99Å
521A84.3Confident91.8Very high31 Ų3132.3 Ų32.326%0.25617%0.174SC..THydrogen-bonded Turntrans-53.5-32.3-173.700000115.1P319P319-A521 HydrophobicContact CG-CB 4.03Å
522I85.6Confident91.7Very high62 Ų6231.4 Ų31.432%0.31816%0.162SC..THydrogen-bonded Turntrans-92.1-14.6-177.7-48.4172.6000111.4N320 N520 T524N320-I522 WeakPolarHBondContact ND2-CG1 3.43Å; N520-I522 PolarHBondContact O-N 2.8Å; I522-T524 VanDerWaalsContact C-N 3.33Å; I522-T524 HydrophobicContact CB-CG2 4.28Å; I522-T524 HydrophobicContact CG2-CG2 3.9Å
523G88.4Confident91.6Very high1 Ų131.4 Ų31.41%0.0116%0.164CC..SBendtrans7715.1-176.600000114.7N520 R525N520-G523 PolarHBondContact O-N 2.88Å; N520-G523 WeakPolarHBondContact OD1-CA 3.49Å; N520-G523 PolarHBondContact OD1-N 2.91Å; G523-R525 VanDerWaalsContact C-N 3.35Å
524T88.9Confident91.7Very high60 Ų6033.4 Ų33.437%0.36817%0.173SC..SBendtrans-84.8-8.6178.654.70000113.6N520 I522 N539 P540N520-T524 PolarHBondContact ND2-OG1 2.72Å; N520-T524 PolarHBondContact OD1-N 3.25Å; I522-T524 VanDerWaalsContact C-N 3.33Å; I522-T524 HydrophobicContact CB-CG2 4.28Å; I522-T524 HydrophobicContact CG2-CG2 3.9Å; T524-N539 PolarHBondContact O-OD1 3.07Å; T524-P540 VanDerWaalsContact O-CD 3.32Å; T524-P540 WeakPolarHBondContact O-CD 3.44Å
525R91.5Very high91.7Very high18 Ų1833.5 Ų33.57%0.06817%0.174CC..  trans-146.7142.8177.2-60.2176-175.4148.6-5.7109.3P519 N520 G523 Y538 W560 T565 E566 M585P519-R525 CarbonylContact C-O 3.5Å; P519-R525 VanDerWaalsContact CA-O 3.25Å; P519-R525 WeakPolarHBondContact CA-O 3.39Å; N520-R525 PolarHBondContact N-O 3.16Å; N520-R525 PolarHBondContact OD1-N 3.18Å; N520-R525 PolarHBondContact OD1-O 2.82Å; G523-R525 VanDerWaalsContact C-N 3.35Å; R525-Y538 WeakPolarHBondContact CA-O 3.41Å; R525-W560 HydrophobicContact CB-CH2 3.91Å; R525-W560 HydrophobicContact CB-CZ2 4.26Å; R525-T565 PolarHBondContact NH1-O 3.32Å; R525-T565 PolarHBondContact NH2-O 3.21Å; R525-E566 PolarHBondContact NH1-O 3.17Å; R525-E566 PolarHBondContact NH2-O 3.09Å; R525-M585 PolarHBondContact NH2-SD 2.81Å
526V94.8Very high91.8Very high0 Ų030.7 Ų30.70%016%0.159CC..EExtended strand (participates in β ladder)trans-129.2116.6-178.8-171.30000109.8I486 H496 I517 P519 Y538I486-V526 HydrophobicContact CD1-CG2 4.29Å; I486-V526 HydrophobicContact CG2-CG2 4.18Å; H496-V526 WeakPolarHBondContact NE2-CG2 3.26Å; I517-V526 HydrophobicContact CB-CG1 3.91Å; I517-V526 HydrophobicContact CG2-CG1 4.23Å; P519-V526 HydrophobicContact CB-CG2 4.19Å; V526-Y538 PolarHBondContact N-O 3.45Å; V526-Y538 PolarHBondContact O-N 2.78Å
527A95.7Very high91.9Very high0 Ų028.2 Ų28.20%015%0.147CC..EExtended strand (participates in β ladder)trans-84.6137.9165.200000108.5I517 F518 F536 I558 W560 L570I517-A527 CarbonylContact C-O 3.54Å; I517-A527 WeakPolarHBondContact CA-O 3.35Å; F518-A527 HydrophobicContact CB-CB 4.35Å; F518-A527 PolarHBondContact N-O 2.92Å; F518-A527 PolarHBondContact O-N 2.95Å; A527-F536 CarbonylContact C-O 3.58Å; A527-F536 WeakPolarHBondContact CA-O 3.32Å; A527-I558 HydrophobicContact CB-CD1 4.02Å; A527-I558 HydrophobicContact CB-CG2 4.18Å; A527-W560 HydrophobicContact CB-CZ2 3.74Å; A527-L570 HydrophobicContact CB-CD2 4.2Å
528F95.4Very high91.8Very high0 Ų028 Ų280%015%0.146CC..EExtended strand (participates in β ladder)trans-143.9154.7178.970.8-94.6000112.1I494 Y508 H510 I514 H516 I517 A535 F536 L545I494-F528 HydrophobicContact CD1-CB 4.49Å; I494-F528 HydrophobicContact CD1-CD1 3.65Å; I494-F528 HydrophobicContact CD1-CE1 3.94Å; I494-F528 HydrophobicContact CD1-CG 4.09Å; Y508-F528 HydrophobicContact CE1-CE1 4.38Å; Y508-F528 HydrophobicContact CE1-CZ 4.16Å; H510-F528 AromaticContact CD2-CE2 3.84Å; H510-F528 AromaticContact NE2-CE2 3.99Å; I514-F528 HydrophobicContact CD1-CD2 4.12Å; I514-F528 HydrophobicContact CD1-CE2 4.25Å; I514-F528 HydrophobicContact CG1-CD2 3.94Å; I514-F528 HydrophobicContact CG1-CE2 4.16Å; I514-F528 HydrophobicContact CG2-CB 4.09Å; I514-F528 HydrophobicContact CG2-CD2 4.2Å; I514-F528 HydrophobicContact CG2-CG 4.48Å; H516-F528 CarbonylContact O-C 3.51Å; H516-F528 WeakPolarHBondContact O-CA 3.29Å; H516-F528 WeakPolarHBondContact O-CB 3.37Å; I517-F528 HydrophobicContact CG2-CB 3.87Å; F528-A535 CarbonylContact O-C 3.3Å; F528-A535 VanDerWaalsContact O-CA 3.23Å; F528-A535 WeakPolarHBondContact O-CA 3.26Å; F528-F536 HydrophobicContact CD1-CB 4.12Å; F528-F536 HydrophobicContact CD2-CD2 4.23Å; F528-F536 HydrophobicContact CE1-CB 3.6Å; F528-F536 HydrophobicContact CE1-CG 4.41Å; F528-F536 HydrophobicContact CE2-CB 4.04Å; F528-F536 AromaticContact CE2-CD2 3.56Å; F528-F536 HydrophobicContact CE2-CD2 3.56Å; F528-F536 HydrophobicContact CE2-CE2 4.42Å; F528-F536 HydrophobicContact CE2-CG 4.1Å; F528-F536 HydrophobicContact CZ-CB 3.57Å; F528-F536 AromaticContact CZ-CD2 3.81Å; F528-F536 HydrophobicContact CZ-CD2 3.81Å; F528-F536 AromaticContact CZ-CG 3.87Å; F528-F536 HydrophobicContact CZ-CG 3.87Å; F528-F536 PolarHBondContact N-O 2.64Å; F528-F536 PolarHBondContact O-N 3.01Å; F528-L545 HydrophobicContact CE1-CD1 3.57Å; F528-L545 HydrophobicContact CZ-CD1 3.74Å
529V94.6Very high91.6Very high7 Ų727.3 Ų27.34%0.04214%0.143CC..EExtended strand (participates in β ladder)trans-117.6130.3177.4-176.30000108.9L515 H516 F518 L534 A535 F551 I558L515-V529 PolarHBondContact N-O 2.92Å; H516-V529 PolarHBondContact N-O 3.31Å; H516-V529 PolarHBondContact O-N 3.05Å; F518-V529 HydrophobicContact CE2-CG2 4.35Å; V529-L534 WeakPolarHBondContact CA-O 3.1Å; V529-A535 HydrophobicContact CG2-CB 4.11Å; V529-F551 HydrophobicContact CG1-CE1 4.2Å; V529-F551 HydrophobicContact CG2-CE1 4.11Å; V529-F551 HydrophobicContact CG2-CZ 3.78Å; V529-I558 HydrophobicContact CG2-CD1 4.26Å
530D93.1Very high91.4Very high3 Ų327.7 Ų27.72%0.01615%0.146CC..EExtended strand (participates in β ladder)trans-94.4173.1178.974.910.7000113.1H510 C512 S513 K532 G533 L534H510-D530 IonicContact CD2-OD2 2.66Å; H510-D530 IonicContact NE2-OD2 2.81Å; H510-D530 PolarHBondContact NE2-OD2 3.09Å; C512-D530 HydrophobicContact CB-CB 4.17Å; S513-D530 CarbonylContact O-C 3.45Å; S513-D530 VanDerWaalsContact O-CA 3.32Å; S513-D530 WeakPolarHBondContact O-CA 3.41Å; S513-D530 WeakPolarHBondContact O-CB 3.36Å; D530-K532 PolarHBondContact O-N 2.75Å; D530-K532 VanDerWaalsContact O-N 3.13Å; D530-K532 WeakPolarHBondContact OD1-CA 3.11Å; D530-K532 WeakPolarHBondContact OD1-CB 3.47Å; D530-K532 PolarHBondContact OD1-N 3.42Å; D530-G533 PolarHBondContact O-N 2.86Å; D530-G533 PolarHBondContact OD1-N 3.38Å; D530-L534 PolarHBondContact N-O 3.39Å; D530-L534 PolarHBondContact OD1-N 3.11Å
531E90.1Very high91.2Very high110 Ų11031.1 Ų31.151%0.51418%0.177SC..THydrogen-bonded Turntrans-61.4-18179.774.4-165.515800114.5C512 S513 G533C512-E531 WeakPolarHBondContact CA-OE1 3.3Å; C512-E531 HydrophobicContact CB-CG 4.04Å; C512-E531 VanDerWaalsContact CB-OE1 3.31Å; C512-E531 WeakPolarHBondContact CB-OE1 3.48Å; C512-E531 PolarHBondContact SG-OE1 2.96Å; C512-E531 VanDerWaalsContact SG-OE1 3.42Å; S513-E531 VanDerWaalsContact CB-OE2 3.31Å; S513-E531 WeakPolarHBondContact CB-OE2 3.42Å; S513-E531 PolarHBondContact N-OE1 2.79Å; S513-E531 PolarHBondContact O-N 2.97Å; E531-G533 VanDerWaalsContact C-N 3.27Å
532K89.7Confident91.1Very high141 Ų14133.3 Ų33.361%0.61318%0.184SC*.THydrogen-bonded Turntrans-85.6-3.8176.9-65.8176.2176163.60112C512 D530 L534C512-K532 WeakPolarHBondContact SG-CE 3.39Å; C512-K532 PolarHBondContact SG-NZ 3.45Å; D530-K532 PolarHBondContact O-N 2.75Å; D530-K532 VanDerWaalsContact O-N 3.13Å; D530-K532 WeakPolarHBondContact OD1-CA 3.11Å; D530-K532 WeakPolarHBondContact OD1-CB 3.47Å; D530-K532 PolarHBondContact OD1-N 3.42Å; K532-L534 VanDerWaalsContact C-N 3.32Å; K532-L534 HydrophobicContact CB-CG 4.47Å
533G88.4Confident91.1Very high11 Ų1135.3 Ų35.311%0.11320%0.196CC..SBendtrans75.421.6-176.300000113.1D530 E531 F551D530-G533 PolarHBondContact O-N 2.86Å; D530-G533 PolarHBondContact OD1-N 3.38Å; E531-G533 VanDerWaalsContact C-N 3.27Å; G533-F551 WeakPolarHBondContact O-CD1 3.15Å
534L92.2Very high91Very high63 Ų6336.2 Ų36.233%0.3320%0.2SC..  trans-94.2151.1170.7-62.8176.6000109.8V529 D530 K532 F536V529-L534 WeakPolarHBondContact CA-O 3.1Å; D530-L534 PolarHBondContact N-O 3.39Å; D530-L534 PolarHBondContact OD1-N 3.11Å; K532-L534 VanDerWaalsContact C-N 3.32Å; K532-L534 HydrophobicContact CB-CG 4.47Å; L534-F536 HydrophobicContact CB-CE2 3.72Å; L534-F536 HydrophobicContact CB-CZ 3.96Å; L534-F536 HydrophobicContact CD1-CZ 4.31Å
535A94.1Very high91Very high1 Ų136.2 Ų36.21%0.00820%0.197CC..EExtended strand (participates in β ladder)trans-121.8144.7179.900000112F528 V529 I548 F551F528-A535 CarbonylContact O-C 3.3Å; F528-A535 VanDerWaalsContact O-CA 3.23Å; F528-A535 WeakPolarHBondContact O-CA 3.26Å; V529-A535 HydrophobicContact CG2-CB 4.11Å; A535-I548 HydrophobicContact CB-CB 4.17Å; A535-I548 HydrophobicContact CB-CD1 3.91Å; A535-I548 HydrophobicContact CB-CG1 4.3Å; A535-I548 PolarHBondContact O-N 3.41Å; A535-F551 HydrophobicContact CB-CB 4.2Å; A535-F551 HydrophobicContact CB-CD1 3.7Å; A535-F551 HydrophobicContact CB-CD2 3.4Å; A535-F551 HydrophobicContact CB-CE1 3.81Å; A535-F551 HydrophobicContact CB-CE2 3.5Å; A535-F551 HydrophobicContact CB-CG 3.48Å; A535-F551 VanDerWaalsContact CB-CG 3.48Å; A535-F551 HydrophobicContact CB-CZ 3.71Å
536F94.5Very high91Very high17 Ų1736 Ų368%0.07520%0.197CC..EExtended strand (participates in β ladder)trans-136.8155.2-176-57.1-91.3000111.1H510 A527 F528 L534 L545 I546 E547H510-F536 AromaticContact CE1-CE2 3.86Å; H510-F536 AromaticContact NE2-CE2 3.81Å; A527-F536 CarbonylContact C-O 3.58Å; A527-F536 WeakPolarHBondContact CA-O 3.32Å; F528-F536 HydrophobicContact CD1-CB 4.12Å; F528-F536 HydrophobicContact CD2-CD2 4.23Å; F528-F536 HydrophobicContact CE1-CB 3.6Å; F528-F536 HydrophobicContact CE1-CG 4.41Å; F528-F536 HydrophobicContact CE2-CB 4.04Å; F528-F536 AromaticContact CE2-CD2 3.56Å; F528-F536 HydrophobicContact CE2-CD2 3.56Å; F528-F536 HydrophobicContact CE2-CE2 4.42Å; F528-F536 HydrophobicContact CE2-CG 4.1Å; F528-F536 HydrophobicContact CZ-CB 3.57Å; F528-F536 AromaticContact CZ-CD2 3.81Å; F528-F536 HydrophobicContact CZ-CD2 3.81Å; F528-F536 AromaticContact CZ-CG 3.87Å; F528-F536 HydrophobicContact CZ-CG 3.87Å; F528-F536 PolarHBondContact N-O 2.64Å; F528-F536 PolarHBondContact O-N 3.01Å; L534-F536 HydrophobicContact CB-CE2 3.72Å; L534-F536 HydrophobicContact CB-CZ 3.96Å; L534-F536 HydrophobicContact CD1-CZ 4.31Å; F536-L545 HydrophobicContact CB-CD1 3.84Å; F536-L545 HydrophobicContact CB-CG 4.38Å; F536-L545 HydrophobicContact CD1-CD1 4.44Å; F536-L545 HydrophobicContact CD1-CD2 4.08Å; F536-L545 HydrophobicContact CD1-CG 4.16Å; F536-L545 HydrophobicContact CG-CD1 4.35Å; F536-I546 CarbonylContact C-O 3.59Å; F536-I546 WeakPolarHBondContact CA-O 3.17Å; F536-E547 HydrophobicContact CD1-CB 3.9Å; F536-E547 HydrophobicContact CD1-CG 4.15Å; F536-E547 HydrophobicContact CE1-CB 3.83Å; F536-E547 HydrophobicContact CE1-CG 3.77Å; F536-E547 HydrophobicContact CZ-CG 4.39Å
537I94.2Very high90.8Very high2 Ų241.2 Ų41.21%0.0122%0.222CC..EExtended strand (participates in β ladder)trans-111.2121.1167.7-59.6173.3000107.7I546 I548 W560 L570 Y583 C665I537-I546 PolarHBondContact N-O 3.24Å; I537-I546 PolarHBondContact O-N 3.37Å; I537-I548 HydrophobicContact CD1-CD1 4.38Å; I537-I548 HydrophobicContact CD1-CG1 4.3Å; I537-I548 HydrophobicContact CG1-CD1 3.98Å; I537-I548 HydrophobicContact CG1-CG1 4Å; I537-W560 HydrophobicContact CD1-CH2 4.46Å; I537-W560 HydrophobicContact CG1-CH2 4.47Å; I537-W560 HydrophobicContact CG2-CH2 3.92Å; I537-L570 HydrophobicContact CD1-CD1 4.05Å; I537-L570 HydrophobicContact CD1-CD2 3.77Å; I537-L570 HydrophobicContact CG1-CD2 4.16Å; I537-Y583 HydrophobicContact CD1-CD1 4.43Å; I537-Y583 HydrophobicContact CD1-CD2 4.22Å; I537-Y583 HydrophobicContact CD1-CG 3.92Å; I537-Y583 HydrophobicContact CG2-CD1 4.41Å; I537-Y583 HydrophobicContact CG2-CE1 4.28Å; I537-C665 HydrophobicContact CD1-CB 4.42Å
538Y93.4Very high90.7Very high1 Ų141.4 Ų41.40%0.00422%0.222CC..EExtended strand (participates in β ladder)trans-107.9131.8176.6178.7-117.1000111.1N506 Y508 R525 V526 P540 D543 Q544 L545N506-Y538 PolarHBondContact ND2-OH 2.81Å; Y508-Y538 HydrophobicContact CD2-CD2 4.12Å; Y508-Y538 AromaticContact CD2-CE2 3.5Å; Y508-Y538 HydrophobicContact CD2-CE2 3.5Å; Y508-Y538 AromaticContact CD2-CZ 3.78Å; Y508-Y538 HydrophobicContact CE2-CD2 4.37Å; Y508-Y538 HydrophobicContact CE2-CE2 4.06Å; Y508-Y538 HydrophobicContact CG-CD2 4.21Å; Y508-Y538 HydrophobicContact CG-CE1 4.12Å; Y508-Y538 AromaticContact CG-CE2 3.79Å; Y508-Y538 HydrophobicContact CG-CE2 3.79Å; Y508-Y538 AromaticContact CG-CZ 3.74Å; R525-Y538 WeakPolarHBondContact CA-O 3.41Å; V526-Y538 PolarHBondContact N-O 3.45Å; V526-Y538 PolarHBondContact O-N 2.78Å; Y538-P540 HydrophobicContact CD1-CB 4.48Å; Y538-P540 HydrophobicContact CE1-CB 3.81Å; Y538-D543 PolarHBondContact OH-OD1 3.09Å; Y538-Q544 WeakPolarHBondContact CA-O 3.34Å; Y538-L545 HydrophobicContact CD2-CD1 4.26Å
539N90.5Very high90.4Very high9 Ų943.5 Ų43.55%0.04824%0.236CC..EExtended strand (participates in β ladder)trans-109.9104.1172.2-178.7-0.8000110T524 A541 N542 D543 Q544T524-N539 PolarHBondContact O-OD1 3.07Å; N539-A541 PolarHBondContact O-N 3.31Å; N539-A541 VanDerWaalsContact O-N 3.17Å; N539-A541 WeakPolarHBondContact OD1-CB 3.38Å; N539-A541 PolarHBondContact OD1-N 3.33Å; N539-A541 VanDerWaalsContact OD1-N 3.08Å; N539-N542 VanDerWaalsContact CB-OD1 3.28Å; N539-N542 WeakPolarHBondContact CB-OD1 3.42Å; N539-N542 PolarHBondContact ND2-OD1 3.18Å; N539-N542 PolarHBondContact O-N 2.81Å; N539-N542 PolarHBondContact O-OD1 3.32Å; N539-D543 WeakPolarHBondContact O-CA 3.31Å; N539-D543 PolarHBondContact O-N 2.91Å; N539-Q544 HydrophobicContact CB-CB 4.25Å; N539-Q544 PolarHBondContact N-O 2.83Å; N539-Q544 PolarHBondContact O-N 2.82Å
540P89.2Confident90.1Very high24 Ų2450.2 Ų50.216%0.15627%0.267CS..THydrogen-bonded Turntrans-65.6-13.6-17927-38.2000114.9N506 T524 Y538N506-P540 HydrophobicContact CB-CB 4.22Å; N506-P540 WeakPolarHBondContact ND2-CA 3.41Å; N506-P540 WeakPolarHBondContact ND2-CB 3.22Å; N506-P540 PolarHBondContact ND2-O 3.11Å; T524-P540 VanDerWaalsContact O-CD 3.32Å; T524-P540 WeakPolarHBondContact O-CD 3.44Å; Y538-P540 HydrophobicContact CD1-CB 4.48Å; Y538-P540 HydrophobicContact CE1-CB 3.81Å
541A86Confident90Very high93 Ų9351 Ų5177%0.76927%0.27SS*.THydrogen-bonded Turntrans-79.6-23.9-177.900000113.3N539N539-A541 PolarHBondContact O-N 3.31Å; N539-A541 VanDerWaalsContact O-N 3.17Å; N539-A541 WeakPolarHBondContact OD1-CB 3.38Å; N539-A541 PolarHBondContact OD1-N 3.33Å; N539-A541 VanDerWaalsContact OD1-N 3.08Å
542N83.9Confident89.7Confident76 Ų7647.2 Ų47.241%0.40626%0.256SS..THydrogen-bonded Turntrans-136.614.4-177.767-13.3000112.9N539 Q544N539-N542 VanDerWaalsContact CB-OD1 3.28Å; N539-N542 WeakPolarHBondContact CB-OD1 3.42Å; N539-N542 PolarHBondContact ND2-OD1 3.18Å; N539-N542 PolarHBondContact O-N 2.81Å; N539-N542 PolarHBondContact O-OD1 3.32Å; N542-Q544 PolarHBondContact ND2-OE1 3.16Å; N542-Q544 PolarHBondContact O-N 3.33Å; N542-Q544 VanDerWaalsContact O-N 3.11Å; N542-Q544 WeakPolarHBondContact OD1-CB 3.14Å; N542-Q544 PolarHBondContact OD1-N 3.03Å
543D85.1Confident89.4Confident105 Ų10545 Ų4556%0.56126%0.256SS*.THydrogen-bonded Turntrans48.632.5-175.9-63.3-25.7000114.3N506 Y538 N539N506-D543 PolarHBondContact ND2-OD1 2.94Å; N506-D543 VanDerWaalsContact ND2-OD1 3.13Å; Y538-D543 PolarHBondContact OH-OD1 3.09Å; N539-D543 WeakPolarHBondContact O-CA 3.31Å; N539-D543 PolarHBondContact O-N 2.91Å
544Q85.4Confident89.2Confident20 Ų2047.5 Ų47.59%0.09327%0.271CS..EExtended strand (participates in β ladder)trans-83.7129.9-179.4179.9175.512.200111Y538 N539 N542 I546 A660 F662Y538-Q544 WeakPolarHBondContact CA-O 3.34Å; N539-Q544 HydrophobicContact CB-CB 4.25Å; N539-Q544 PolarHBondContact N-O 2.83Å; N539-Q544 PolarHBondContact O-N 2.82Å; N542-Q544 PolarHBondContact ND2-OE1 3.16Å; N542-Q544 PolarHBondContact O-N 3.33Å; N542-Q544 VanDerWaalsContact O-N 3.11Å; N542-Q544 WeakPolarHBondContact OD1-CB 3.14Å; N542-Q544 PolarHBondContact OD1-N 3.03Å; Q544-I546 HydrophobicContact CG-CD1 4.29Å; Q544-I546 HydrophobicContact CG-CG1 4.14Å; Q544-A660 HydrophobicContact CG-CB 4.13Å; Q544-F662 PolarHBondContact NE2-O 2.82Å
545L90.1Very high88.7Confident60 Ų6044.8 Ų44.831%0.31426%0.257SS..EExtended strand (participates in β ladder)trans-117.2129.7174.6-171.477.9000110.3Y508 F528 F536 Y538Y508-L545 HydrophobicContact CE1-CD1 4.44Å; Y508-L545 WeakPolarHBondContact OH-CD2 3.41Å; F528-L545 HydrophobicContact CE1-CD1 3.57Å; F528-L545 HydrophobicContact CZ-CD1 3.74Å; F536-L545 HydrophobicContact CB-CD1 3.84Å; F536-L545 HydrophobicContact CB-CG 4.38Å; F536-L545 HydrophobicContact CD1-CD1 4.44Å; F536-L545 HydrophobicContact CD1-CD2 4.08Å; F536-L545 HydrophobicContact CD1-CG 4.16Å; F536-L545 HydrophobicContact CG-CD1 4.35Å; Y538-L545 HydrophobicContact CD2-CD1 4.26Å
546I90.2Very high88.2Confident13 Ų1346.8 Ų46.87%0.06727%0.271CS..EExtended strand (participates in β ladder)trans-126.8129.9179.2-62.8167.9000108.6F536 I537 Q544 Y583 G663 C665F536-I546 CarbonylContact C-O 3.59Å; F536-I546 WeakPolarHBondContact CA-O 3.17Å; I537-I546 PolarHBondContact N-O 3.24Å; I537-I546 PolarHBondContact O-N 3.37Å; Q544-I546 HydrophobicContact CG-CD1 4.29Å; Q544-I546 HydrophobicContact CG-CG1 4.14Å; I546-Y583 HydrophobicContact CD1-CD2 4.09Å; I546-Y583 HydrophobicContact CD1-CE2 3.19Å; I546-G663 WeakPolarHBondContact CD1-O 3.31Å; I546-C665 HydrophobicContact CG2-CB 4.01Å
547E91.2Very high88.1Confident110 Ų11048.3 Ų48.351%0.51428%0.28SS..EExtended strand (participates in β ladder)trans-78.6137.8173.4-171.2176.1162.800110.6F536F536-E547 HydrophobicContact CD1-CB 3.9Å; F536-E547 HydrophobicContact CD1-CG 4.15Å; F536-E547 HydrophobicContact CE1-CB 3.83Å; F536-E547 HydrophobicContact CE1-CG 3.77Å; F536-E547 HydrophobicContact CZ-CG 4.39Å
548I93.1Very high88.2Confident3 Ų348.5 Ų48.52%0.01528%0.281CS..PPolyproline II helixtrans-83.2116.5173.8-59.3-177.3000108A535 I537 F551 I558 Y581A535-I548 HydrophobicContact CB-CB 4.17Å; A535-I548 HydrophobicContact CB-CD1 3.91Å; A535-I548 HydrophobicContact CB-CG1 4.3Å; A535-I548 PolarHBondContact O-N 3.41Å; I537-I548 HydrophobicContact CD1-CD1 4.38Å; I537-I548 HydrophobicContact CD1-CG1 4.3Å; I537-I548 HydrophobicContact CG1-CD1 3.98Å; I537-I548 HydrophobicContact CG1-CG1 4Å; I548-F551 HydrophobicContact CG2-CB 4.46Å; I548-F551 HydrophobicContact CG2-CD2 4.19Å; I548-I558 HydrophobicContact CD1-CD1 4.41Å; I548-Y581 HydrophobicContact CG2-CD1 3.6Å; I548-Y581 HydrophobicContact CG2-CD2 4.18Å; I548-Y581 HydrophobicContact CG2-CE1 3.38Å; I548-Y581 HydrophobicContact CG2-CE2 3.97Å; I548-Y581 HydrophobicContact CG2-CG 4Å
549P90.5Very high88.2Confident45 Ų4550 Ų5029%0.29229%0.289SS..THydrogen-bonded Turntrans-69.9151.1-175.130.2-36.6000111.6F551 Y581 C665P549-F551 PolarHBondContact O-N 3.09Å; P549-Y581 VanDerWaalsContact O-CE1 3.25Å; P549-Y581 WeakPolarHBondContact O-CE1 3.49Å; P549-C665 WeakPolarHBondContact CD-O 3.43Å; P549-C665 VanDerWaalsContact CG-O 3.29Å; P549-C665 WeakPolarHBondContact CG-O 3.43Å
550E88.2Confident88.3Confident147 Ų14750.3 Ų50.369%0.68729%0.289SS*.THydrogen-bonded Turntrans52.329.9174.6-58.1-178.8-16500113.7Y581 L667E550-Y581 PolarHBondContact O-OH 3.34Å; E550-L667 HydrophobicContact CB-CD2 4.2Å; E550-L667 WeakPolarHBondContact OE2-CD2 3.37Å
551F89.4Confident88.3Confident19 Ų1949.5 Ų49.58%0.08328%0.284CS..  trans-67.9135.5177.9-170.1-95.2000110.4V529 G533 A535 I548 P549 I555 I558 A572V529-F551 HydrophobicContact CG1-CE1 4.2Å; V529-F551 HydrophobicContact CG2-CE1 4.11Å; V529-F551 HydrophobicContact CG2-CZ 3.78Å; G533-F551 WeakPolarHBondContact O-CD1 3.15Å; A535-F551 HydrophobicContact CB-CB 4.2Å; A535-F551 HydrophobicContact CB-CD1 3.7Å; A535-F551 HydrophobicContact CB-CD2 3.4Å; A535-F551 HydrophobicContact CB-CE1 3.81Å; A535-F551 HydrophobicContact CB-CE2 3.5Å; A535-F551 HydrophobicContact CB-CG 3.48Å; A535-F551 VanDerWaalsContact CB-CG 3.48Å; A535-F551 HydrophobicContact CB-CZ 3.71Å; I548-F551 HydrophobicContact CG2-CB 4.46Å; I548-F551 HydrophobicContact CG2-CD2 4.19Å; P549-F551 PolarHBondContact O-N 3.09Å; F551-I555 HydrophobicContact CD2-CD1 4.41Å; F551-I555 HydrophobicContact CE1-CB 4.08Å; F551-I555 HydrophobicContact CE1-CG2 4.42Å; F551-I555 HydrophobicContact CE2-CB 4.12Å; F551-I555 HydrophobicContact CE2-CD1 4.2Å; F551-I555 HydrophobicContact CE2-CG2 3.76Å; F551-I555 HydrophobicContact CZ-CB 3.62Å; F551-I555 HydrophobicContact CZ-CD1 4.47Å; F551-I555 HydrophobicContact CZ-CG2 3.48Å; F551-I555 VanDerWaalsContact CZ-CG2 3.48Å; F551-I558 HydrophobicContact CE2-CD1 4.15Å; F551-A572 HydrophobicContact CE2-CB 3.91Å
552C84.4Confident88.2Confident32 Ų3246.7 Ų46.722%0.21626%0.256CS..  trans-98.8128.4-178.9-149.50000112.1S554 I555 R577C552-S554 PolarHBondContact O-N 2.85Å; C552-I555 HydrophobicContact CB-CD1 4.01Å; C552-I555 HydrophobicContact CB-CG1 4.3Å; C552-I555 VanDerWaalsContact O-CB 3.27Å; C552-I555 WeakPolarHBondContact O-CB 3.4Å; C552-I555 WeakPolarHBondContact O-CG1 3.36Å; C552-I555 PolarHBondContact O-N 3.3Å; C552-R577 VanDerWaalsContact CB-CZ 3.48Å; C552-R577 PolarHBondContact SG-NH1 3.25Å; C552-R577 PolarHBondContact SG-NH2 3.44Å
553P83.6Confident88Confident94 Ų9445.5 Ų45.561%0.6125%0.248SC*.THydrogen-bonded Turntrans-60.6-17.6-175.5-27.935.4000116.3I555P553-I555 VanDerWaalsContact C-N 3.27Å
554S83.4Confident87.4Confident63 Ų6342.4 Ų42.444%0.44123%0.231SC..THydrogen-bonded Turntrans-76.2-15.7175.3640000113.5C552 S556 D574 R577C552-S554 PolarHBondContact O-N 2.85Å; S554-S556 PolarHBondContact O-N 3.49Å; S554-D574 VanDerWaalsContact O-CB 3.28Å; S554-D574 WeakPolarHBondContact O-CB 3.42Å; S554-D574 PolarHBondContact OG-OD2 3.35Å; S554-R577 PolarHBondContact OG-NH2 3.35Å
555I83.2Confident86.7Confident6 Ų645.7 Ų45.73%0.03125%0.253CS..  trans-66.8121.7179.9-69.6170000109.5F551 C552 P553 A572 N579F551-I555 HydrophobicContact CD2-CD1 4.41Å; F551-I555 HydrophobicContact CE1-CB 4.08Å; F551-I555 HydrophobicContact CE1-CG2 4.42Å; F551-I555 HydrophobicContact CE2-CB 4.12Å; F551-I555 HydrophobicContact CE2-CD1 4.2Å; F551-I555 HydrophobicContact CE2-CG2 3.76Å; F551-I555 HydrophobicContact CZ-CB 3.62Å; F551-I555 HydrophobicContact CZ-CD1 4.47Å; F551-I555 HydrophobicContact CZ-CG2 3.48Å; F551-I555 VanDerWaalsContact CZ-CG2 3.48Å; C552-I555 HydrophobicContact CB-CD1 4.01Å; C552-I555 HydrophobicContact CB-CG1 4.3Å; C552-I555 VanDerWaalsContact O-CB 3.27Å; C552-I555 WeakPolarHBondContact O-CB 3.4Å; C552-I555 WeakPolarHBondContact O-CG1 3.36Å; C552-I555 PolarHBondContact O-N 3.3Å; P553-I555 VanDerWaalsContact C-N 3.27Å; I555-A572 HydrophobicContact CD1-CB 4.15Å; I555-A572 HydrophobicContact CG2-CB 3.73Å; I555-N579 HydrophobicContact CD1-CB 4.23Å; I555-N579 WeakPolarHBondContact CD1-ND2 3.47Å
556S84Confident86Confident43 Ų4349.4 Ų49.430%0.30127%0.269SS..  trans-103.3-21.7-175.163.10000113.3F518 S554 Y573F518-S556 WeakPolarHBondContact CZ-O 3.39Å; S554-S556 PolarHBondContact O-N 3.49Å; S556-Y573 PolarHBondContact N-O 3.43Å; S556-Y573 VanDerWaalsContact N-O 3.16Å
557N92Very high85.7Confident50 Ų5050.2 Ų50.227%0.26727%0.273SS..EExtended strand (participates in β ladder)trans-135.9149.4-173.2-73.5-59.2000113F518 A572 Y573F518-N557 HydrophobicContact CE1-CB 4.37Å; N557-A572 CarbonylContact O-C 3.51Å; N557-A572 VanDerWaalsContact O-CA 3.3Å; N557-A572 WeakPolarHBondContact O-CA 3.42Å; N557-Y573 HydrophobicContact CB-CD1 3.99Å; N557-Y573 HydrophobicContact CB-CD2 4.39Å; N557-Y573 HydrophobicContact CB-CE1 3.44Å; N557-Y573 VanDerWaalsContact CB-CE1 3.44Å; N557-Y573 HydrophobicContact CB-CE2 3.89Å; N557-Y573 HydrophobicContact CB-CG 4.44Å; N557-Y573 PolarHBondContact N-O 2.96Å; N557-Y573 PolarHBondContact O-N 3.47Å
558I94.9Very high85.5Confident6 Ų645.1 Ų45.13%0.03125%0.249CC..EExtended strand (participates in β ladder)trans-130.2133.3173.2-55.8176.5000109.6F518 A527 V529 I548 F551 L570 I571 A572F518-I558 HydrophobicContact CB-CB 4.03Å; F518-I558 HydrophobicContact CD1-CB 4.3Å; F518-I558 VanDerWaalsContact CD1-O 3.26Å; F518-I558 WeakPolarHBondContact CD1-O 3.12Å; F518-I558 HydrophobicContact CD2-CB 3.66Å; F518-I558 HydrophobicContact CD2-CD1 3.92Å; F518-I558 HydrophobicContact CD2-CG1 3.85Å; F518-I558 HydrophobicContact CE2-CB 4.19Å; F518-I558 HydrophobicContact CE2-CD1 4.23Å; F518-I558 HydrophobicContact CE2-CG1 4.01Å; F518-I558 HydrophobicContact CG-CB 3.73Å; F518-I558 HydrophobicContact CG-CG1 4.42Å; A527-I558 HydrophobicContact CB-CD1 4.02Å; A527-I558 HydrophobicContact CB-CG2 4.18Å; V529-I558 HydrophobicContact CG2-CD1 4.26Å; I548-I558 HydrophobicContact CD1-CD1 4.41Å; F551-I558 HydrophobicContact CE2-CD1 4.15Å; I558-L570 HydrophobicContact CG2-CB 4.41Å; I558-L570 HydrophobicContact CG2-CD2 4.08Å; I558-I571 CarbonylContact C-O 3.46Å; I558-I571 VanDerWaalsContact CA-O 3.3Å; I558-I571 WeakPolarHBondContact CA-O 3.31Å; I558-A572 HydrophobicContact CG1-CB 4.05Å
559L93.4Very high85.5Confident31 Ų3145 Ų4516%0.16225%0.249CC..EExtended strand (participates in β ladder)trans-115.2139.6174-55.9173.9000109.7L570 I571 Y573 P679 L680 L687L559-L570 CarbonylContact O-C 3.54Å; L559-L570 WeakPolarHBondContact O-CA 3.18Å; L559-I571 HydrophobicContact CB-CB 4.34Å; L559-I571 PolarHBondContact N-O 3.37Å; L559-I571 PolarHBondContact O-N 3.07Å; L559-Y573 HydrophobicContact CD1-CD1 4.31Å; L559-Y573 HydrophobicContact CD1-CE1 3.79Å; L559-Y573 HydrophobicContact CD2-CE1 4.36Å; L559-Y573 HydrophobicContact CG-CD1 4.39Å; L559-Y573 HydrophobicContact CG-CE1 3.83Å; L559-P679 HydrophobicContact CD1-CB 3.91Å; L559-L680 WeakPolarHBondContact CD2-O 3.18Å; L559-L687 HydrophobicContact CD1-CD1 4.26Å
560W92.4Very high85.6Confident16 Ų1642.9 Ų42.96%0.06124%0.235CC..EExtended strand (participates in β ladder)trans-91.8146.4167.1-61.883.3000109.2F518 N520 R525 A527 I537 P568 L570F518-W560 PolarHBondContact O-NE1 2.66Å; N520-W560 HydrophobicContact CB-CD2 3.89Å; N520-W560 HydrophobicContact CB-CE3 4.25Å; N520-W560 HydrophobicContact CB-CG 3.99Å; R525-W560 HydrophobicContact CB-CH2 3.91Å; R525-W560 HydrophobicContact CB-CZ2 4.26Å; A527-W560 HydrophobicContact CB-CZ2 3.74Å; I537-W560 HydrophobicContact CD1-CH2 4.46Å; I537-W560 HydrophobicContact CG1-CH2 4.47Å; I537-W560 HydrophobicContact CG2-CH2 3.92Å; W560-P568 HydrophobicContact CE3-CB 3.75Å; W560-P568 HydrophobicContact CE3-CG 3.78Å; W560-P568 HydrophobicContact CZ3-CB 4.03Å; W560-P568 HydrophobicContact CZ3-CG 3.51Å; W560-L570 HydrophobicContact CD2-CD2 4.22Å; W560-L570 HydrophobicContact CD2-CG 4.16Å; W560-L570 HydrophobicContact CE3-CD1 4.04Å; W560-L570 HydrophobicContact CE3-CD2 4.07Å; W560-L570 HydrophobicContact CE3-CG 3.77Å; W560-L570 HydrophobicContact CH2-CD1 4.36Å; W560-L570 HydrophobicContact CH2-CD2 3.72Å; W560-L570 HydrophobicContact CH2-CG 4.26Å; W560-L570 HydrophobicContact CZ2-CD2 3.88Å; W560-L570 HydrophobicContact CZ3-CD1 3.74Å; W560-L570 HydrophobicContact CZ3-CD2 3.82Å; W560-L570 HydrophobicContact CZ3-CG 3.81Å
561D89.7Confident85.9Confident7 Ų735.9 Ų35.94%0.03720%0.202CC..BIsolated β-bridgetrans-66.1133.6164.9-160.3-73.9000110.1E563 D564 L569 S682 N684 G685D561-E563 PolarHBondContact OD1-N 3.3Å; D561-D564 HydrophobicContact CB-CB 4.38Å; D561-L569 HydrophobicContact CB-CB 3.88Å; D561-L569 PolarHBondContact N-O 3.03Å; D561-S682 WeakPolarHBondContact CA-O 3.4Å; D561-S682 PolarHBondContact OD2-OG 2.95Å; D561-N684 VanDerWaalsContact CG-N 3.29Å; D561-N684 PolarHBondContact OD1-N 2.99Å; D561-N684 PolarHBondContact OD2-N 3.38Å; D561-G685 PolarHBondContact OD2-N 2.88Å; D561-G685 VanDerWaalsContact OD2-N 3.15Å
562L84.7Confident86.1Confident34 Ų3435 Ų3518%0.17820%0.199CC..SBendtrans-78.2-22.5-168.9-55.7-176.2000112.8P319 I339 C681 S682 I683P319-L562 HydrophobicContact CB-CB 3.95Å; P319-L562 HydrophobicContact CB-CD1 4.13Å; P319-L562 HydrophobicContact CB-CG 4.41Å; P319-L562 HydrophobicContact CG-CB 3.82Å; P319-L562 HydrophobicContact CG-CD1 3.79Å; P319-L562 HydrophobicContact CG-CD2 3.56Å; P319-L562 HydrophobicContact CG-CG 3.88Å; I339-L562 HydrophobicContact CD1-CD1 4.04Å; L562-C681 HydrophobicContact CD1-CB 3.66Å; L562-C681 HydrophobicContact CG-CB 4.18Å; L562-S682 WeakPolarHBondContact CG-O 3.3Å; L562-S682 PolarHBondContact N-O 3.33Å; L562-I683 HydrophobicContact CB-CG1 4.2Å; L562-I683 HydrophobicContact CD1-CD1 4.41Å; L562-I683 HydrophobicContact CD1-CG1 4.15Å; L562-I683 HydrophobicContact CG-CG1 4.36Å
563E79.9Confident86.6Confident52 Ų5234.2 Ų34.224%0.24319%0.191CC..SBendtrans-102.4-23.6-177.4-72.7-168.6-175.600114.1K343 D561 T565 I683 N684K343-E563 VanDerWaalsContact CB-OE1 3.3Å; K343-E563 WeakPolarHBondContact CB-OE1 3.38Å; K343-E563 VanDerWaalsContact CD-OE2 3.25Å; K343-E563 WeakPolarHBondContact CD-OE2 3.45Å; K343-E563 VanDerWaalsContact CE-OE2 3.3Å; K343-E563 WeakPolarHBondContact CE-OE2 3.16Å; K343-E563 WeakPolarHBondContact CG-OE1 3.32Å; K343-E563 WeakPolarHBondContact CG-OE2 3.41Å; K343-E563 PolarHBondContact N-OE1 3.06Å; K343-E563 IonicContact NZ-OE2 2.74Å; K343-E563 PolarHBondContact NZ-OE2 3.41Å; D561-E563 PolarHBondContact OD1-N 3.3Å; E563-T565 PolarHBondContact O-N 2.99Å; E563-I683 HydrophobicContact CG-CG2 4.02Å; E563-N684 PolarHBondContact OE2-ND2 3.13Å
564D72.5Confident86.8Confident39 Ų3930.2 Ų30.221%0.20917%0.165CC..  trans-83.5105.6-178.4-80.4-24.9000111.7D561 P568 R582D561-D564 HydrophobicContact CB-CB 4.38Å; D564-P568 WeakPolarHBondContact O-CB 3.2Å; D564-R582 IonicContact OD2-CZ 3.56Å; D564-R582 IonicContact OD2-NH1 3.32Å; D564-R582 PolarHBondContact OD2-NH1 2.83Å; D564-R582 IonicContact OD2-NH2 3.33Å
565T70.7Confident86.7Confident90 Ų9033.5 Ų33.555%0.55218%0.177SC*.  trans-91.3-42.6-178.155.10000113.8R525 E563R525-T565 PolarHBondContact NH1-O 3.32Å; R525-T565 PolarHBondContact NH2-O 3.21Å; E563-T565 PolarHBondContact O-N 2.99Å
566E74.1Confident86.5Confident138 Ų13838.4 Ų38.465%0.64520%0.203SC*.SBendtrans-77.8-59-174.7-70.3-169.216700112.5R525 P568R525-E566 PolarHBondContact NH1-O 3.17Å; R525-E566 PolarHBondContact NH2-O 3.09Å; E566-P568 VanDerWaalsContact O-CD 3.28Å; E566-P568 WeakPolarHBondContact O-CD 3.23Å
567N83.9Confident86.6Confident30 Ų3040.1 Ų40.116%0.1620%0.203CC..SBendtrans-117.275.3-179.4-61.4-47.1000109.9R582 Y583 F584 M585N567-R582 PolarHBondContact O-NE 2.93Å; N567-R582 PolarHBondContact O-NH1 3.48Å; N567-R582 VanDerWaalsContact O-NH1 3.11Å; N567-R582 PolarHBondContact O-NH2 2.89Å; N567-Y583 CarbonylContact C-O 3.55Å; N567-Y583 VanDerWaalsContact C-O 3.3Å; N567-Y583 WeakPolarHBondContact CA-O 3.39Å; N567-F584 HydrophobicContact CB-CD1 3.94Å; N567-F584 HydrophobicContact CB-CE1 4.42Å; N567-F584 WeakPolarHBondContact OD1-CA 3.26Å; N567-M585 PolarHBondContact OD1-N 3.35Å
568P88.2Confident86.6Confident2 Ų238 Ų381%0.01319%0.191CC..  trans-67.1145.1-17026.4-35000112.3W560 D564 E566 L570 Y583W560-P568 HydrophobicContact CE3-CB 3.75Å; W560-P568 HydrophobicContact CE3-CG 3.78Å; W560-P568 HydrophobicContact CZ3-CB 4.03Å; W560-P568 HydrophobicContact CZ3-CG 3.51Å; D564-P568 WeakPolarHBondContact O-CB 3.2Å; E566-P568 VanDerWaalsContact O-CD 3.28Å; E566-P568 WeakPolarHBondContact O-CD 3.23Å; P568-L570 HydrophobicContact CG-CD1 4.47Å; P568-Y583 HydrophobicContact CG-CD1 3.86Å; P568-Y583 PolarHBondContact O-N 2.87Å
569L91.5Very high86.6Confident0 Ų037.9 Ų37.90%019%0.191CC..EExtended strand (participates in β ladder)trans-79.1137.4162.3-165.281.3000109D561 V580 Y581 L701D561-L569 HydrophobicContact CB-CB 3.88Å; D561-L569 PolarHBondContact N-O 3.03Å; L569-V580 HydrophobicContact CD1-CG1 3.64Å; L569-V580 HydrophobicContact CD2-CG1 4.04Å; L569-V580 HydrophobicContact CG-CG1 3.94Å; L569-Y581 WeakPolarHBondContact CA-O 3.27Å; L569-Y581 WeakPolarHBondContact CD1-O 3.47Å; L569-L701 HydrophobicContact CD2-CD1 4.07Å
570L93.5Very high86.7Confident1 Ų136.4 Ų36.41%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-117.6140.6172-64.585.9000109.5A527 I537 I558 L559 W560 P568 Y581A527-L570 HydrophobicContact CB-CD2 4.2Å; I537-L570 HydrophobicContact CD1-CD1 4.05Å; I537-L570 HydrophobicContact CD1-CD2 3.77Å; I537-L570 HydrophobicContact CG1-CD2 4.16Å; I558-L570 HydrophobicContact CG2-CB 4.41Å; I558-L570 HydrophobicContact CG2-CD2 4.08Å; L559-L570 CarbonylContact O-C 3.54Å; L559-L570 WeakPolarHBondContact O-CA 3.18Å; W560-L570 HydrophobicContact CD2-CD2 4.22Å; W560-L570 HydrophobicContact CD2-CG 4.16Å; W560-L570 HydrophobicContact CE3-CD1 4.04Å; W560-L570 HydrophobicContact CE3-CD2 4.07Å; W560-L570 HydrophobicContact CE3-CG 3.77Å; W560-L570 HydrophobicContact CH2-CD1 4.36Å; W560-L570 HydrophobicContact CH2-CD2 3.72Å; W560-L570 HydrophobicContact CH2-CG 4.26Å; W560-L570 HydrophobicContact CZ2-CD2 3.88Å; W560-L570 HydrophobicContact CZ3-CD1 3.74Å; W560-L570 HydrophobicContact CZ3-CD2 3.82Å; W560-L570 HydrophobicContact CZ3-CG 3.81Å; P568-L570 HydrophobicContact CG-CD1 4.47Å; L570-Y581 PolarHBondContact N-O 3.11Å; L570-Y581 PolarHBondContact O-N 3.46Å
571I94.3Very high86.8Confident0 Ų035.6 Ų35.60%018%0.18CC..EExtended strand (participates in β ladder)trans-120.6115.5176.5-60.1-177.9000108.3I558 L559 I578 N579 S682 L687 L701I558-I571 CarbonylContact C-O 3.46Å; I558-I571 VanDerWaalsContact CA-O 3.3Å; I558-I571 WeakPolarHBondContact CA-O 3.31Å; L559-I571 HydrophobicContact CB-CB 4.34Å; L559-I571 PolarHBondContact N-O 3.37Å; L559-I571 PolarHBondContact O-N 3.07Å; I571-I578 HydrophobicContact CG2-CG2 3.28Å; I571-N579 CarbonylContact C-O 3.58Å; I571-N579 WeakPolarHBondContact CA-O 3.34Å; I571-S682 VanDerWaalsContact CD1-CB 3.45Å; I571-L687 HydrophobicContact CD1-CD1 3.7Å; I571-L701 HydrophobicContact CD1-CD1 3.7Å; I571-L701 HydrophobicContact CD1-CD2 4.4Å; I571-L701 HydrophobicContact CG1-CD1 4.33Å
572A94.9Very high86.9Confident1 Ų136 Ų361%0.00818%0.181CC..EExtended strand (participates in β ladder)trans-107.9126.5177.500000109.1F551 I555 N557 I558 N579 Y581F551-A572 HydrophobicContact CE2-CB 3.91Å; I555-A572 HydrophobicContact CD1-CB 4.15Å; I555-A572 HydrophobicContact CG2-CB 3.73Å; N557-A572 CarbonylContact O-C 3.51Å; N557-A572 VanDerWaalsContact O-CA 3.3Å; N557-A572 WeakPolarHBondContact O-CA 3.42Å; I558-A572 HydrophobicContact CG1-CB 4.05Å; A572-N579 HydrophobicContact CB-CB 4.43Å; A572-N579 PolarHBondContact N-O 3.2Å; A572-N579 PolarHBondContact O-N 2.99Å; A572-Y581 HydrophobicContact CB-CD2 4.26Å; A572-Y581 HydrophobicContact CB-CE2 3.82Å
573Y93.8Very high87.2Confident16 Ų1634.5 Ų34.56%0.06317%0.173CC..EExtended strand (participates in β ladder)trans-139.1153.8-173.472.2-90.3000114.4S556 N557 L559 R577 L673 P679S556-Y573 PolarHBondContact N-O 3.43Å; S556-Y573 VanDerWaalsContact N-O 3.16Å; N557-Y573 HydrophobicContact CB-CD1 3.99Å; N557-Y573 HydrophobicContact CB-CD2 4.39Å; N557-Y573 HydrophobicContact CB-CE1 3.44Å; N557-Y573 VanDerWaalsContact CB-CE1 3.44Å; N557-Y573 HydrophobicContact CB-CE2 3.89Å; N557-Y573 HydrophobicContact CB-CG 4.44Å; N557-Y573 PolarHBondContact N-O 2.96Å; N557-Y573 PolarHBondContact O-N 3.47Å; L559-Y573 HydrophobicContact CD1-CD1 4.31Å; L559-Y573 HydrophobicContact CD1-CE1 3.79Å; L559-Y573 HydrophobicContact CD2-CE1 4.36Å; L559-Y573 HydrophobicContact CG-CD1 4.39Å; L559-Y573 HydrophobicContact CG-CE1 3.83Å; Y573-R577 VanDerWaalsContact CA-O 3.23Å; Y573-R577 WeakPolarHBondContact CA-O 3.26Å; Y573-R577 WeakPolarHBondContact CB-O 3.47Å; Y573-L673 HydrophobicContact CD2-CD2 4.41Å; Y573-P679 HydrophobicContact CD1-CB 4.04Å; Y573-P679 HydrophobicContact CD1-CG 4.13Å; Y573-P679 HydrophobicContact CD2-CB 4.47Å; Y573-P679 HydrophobicContact CD2-CG 3.8Å; Y573-P679 HydrophobicContact CE1-CB 3.76Å; Y573-P679 HydrophobicContact CE1-CG 4.15Å; Y573-P679 HydrophobicContact CE2-CB 4.24Å; Y573-P679 HydrophobicContact CE2-CG 3.85Å; Y573-P679 HydrophobicContact CG-CB 4.37Å; Y573-P679 HydrophobicContact CG-CG 3.95Å; Y573-P679 PolarHBondContact OH-O 2.86Å
574D88.4Confident87.7Confident10 Ų1032.4 Ų32.45%0.05316%0.163CC..  trans-121.5-168.8164.36132.1000109.6S554 L576 R577 L673S554-D574 VanDerWaalsContact O-CB 3.28Å; S554-D574 WeakPolarHBondContact O-CB 3.42Å; S554-D574 PolarHBondContact OG-OD2 3.35Å; D574-L576 PolarHBondContact O-N 2.93Å; D574-L576 VanDerWaalsContact O-N 3.12Å; D574-L576 WeakPolarHBondContact OD1-CA 3.41Å; D574-L576 PolarHBondContact OD1-N 3.09Å; D574-R577 PolarHBondContact N-O 3.32Å; D574-R577 WeakPolarHBondContact OD1-CG 3.1Å; D574-R577 PolarHBondContact OD1-N 3.06Å; D574-R577 WeakPolarHBondContact OD2-CG 3.45Å; D574-R577 IonicContact OD2-CZ 3.95Å; D574-R577 IonicContact OD2-NE 2.75Å; D574-R577 PolarHBondContact OD2-NE 2.55Å; D574-R577 IonicContact OD2-NH2 3.3Å; D574-L673 WeakPolarHBondContact O-CD2 3.48Å
575N80.5Confident88.1Confident132 Ų13233.4 Ų33.471%0.70617%0.168SC*.SBendtrans-68.2-6.6-179.5-62.4-14.2000114.4
576L79.4Confident88.6Confident109 Ų10932.1 Ų32.157%0.57116%0.157SC*.SBendtrans-124.8-31.1-172.8-64.6172.6000113.7D574 R672 L673D574-L576 PolarHBondContact O-N 2.93Å; D574-L576 VanDerWaalsContact O-N 3.12Å; D574-L576 WeakPolarHBondContact OD1-CA 3.41Å; D574-L576 PolarHBondContact OD1-N 3.09Å; L576-R672 WeakPolarHBondContact O-CG 3.46Å; L576-L673 PolarHBondContact O-N 2.92Å
577R86.9Confident89Confident78 Ų7826.1 Ų26.129%0.29413%0.129SC..EExtended strand (participates in β ladder)trans-144.4159.7-170.553.3165.2167.4-162.7-14.3113.5C552 S554 Y573 D574 V670 T671C552-R577 VanDerWaalsContact CB-CZ 3.48Å; C552-R577 PolarHBondContact SG-NH1 3.25Å; C552-R577 PolarHBondContact SG-NH2 3.44Å; S554-R577 PolarHBondContact OG-NH2 3.35Å; Y573-R577 VanDerWaalsContact CA-O 3.23Å; Y573-R577 WeakPolarHBondContact CA-O 3.26Å; Y573-R577 WeakPolarHBondContact CB-O 3.47Å; D574-R577 PolarHBondContact N-O 3.32Å; D574-R577 WeakPolarHBondContact OD1-CG 3.1Å; D574-R577 PolarHBondContact OD1-N 3.06Å; D574-R577 WeakPolarHBondContact OD2-CG 3.45Å; D574-R577 IonicContact OD2-CZ 3.95Å; D574-R577 IonicContact OD2-NE 2.75Å; D574-R577 PolarHBondContact OD2-NE 2.55Å; D574-R577 IonicContact OD2-NH2 3.3Å; R577-V670 HydrophobicContact CB-CG1 4.44Å; R577-T671 CarbonylContact C-O 3.57Å; R577-T671 WeakPolarHBondContact CA-O 3.21Å
578I91.9Very high88.5Confident5 Ų524.8 Ų24.83%0.02612%0.122CC..EExtended strand (participates in β ladder)trans-129.6112.5-177.5-52.6-179.2000107.4I571 V580 V670 T671 L673 L687 L701I571-I578 HydrophobicContact CG2-CG2 3.28Å; I578-V580 HydrophobicContact CG2-CG2 4.4Å; I578-V670 CarbonylContact O-C 3.45Å; I578-V670 WeakPolarHBondContact O-CA 3.39Å; I578-T671 PolarHBondContact N-O 3.29Å; I578-T671 PolarHBondContact O-N 3.37Å; I578-L673 HydrophobicContact CD1-CB 4.22Å; I578-L673 HydrophobicContact CD1-CD1 3.73Å; I578-L673 HydrophobicContact CG1-CB 3.88Å; I578-L673 HydrophobicContact CG1-CD1 4.12Å; I578-L687 HydrophobicContact CD1-CD2 3.61Å; I578-L701 HydrophobicContact CG2-CD2 4.37Å
579N94.3Very high87.7Confident4 Ų427.1 Ų27.12%0.02113%0.134CC..EExtended strand (participates in β ladder)trans-95.2131.8170.9-6912.2000109I555 I571 A572 Y581 L667 V670I555-N579 HydrophobicContact CD1-CB 4.23Å; I555-N579 WeakPolarHBondContact CD1-ND2 3.47Å; I571-N579 CarbonylContact C-O 3.58Å; I571-N579 WeakPolarHBondContact CA-O 3.34Å; A572-N579 HydrophobicContact CB-CB 4.43Å; A572-N579 PolarHBondContact N-O 3.2Å; A572-N579 PolarHBondContact O-N 2.99Å; N579-Y581 HydrophobicContact CB-CD2 4.31Å; N579-Y581 HydrophobicContact CB-CE2 3.45Å; N579-Y581 VanDerWaalsContact CB-CE2 3.45Å; N579-Y581 PolarHBondContact ND2-OH 3.22Å; N579-Y581 VanDerWaalsContact ND2-OH 3.15Å; N579-L667 HydrophobicContact CB-CD1 4.31Å; N579-V670 WeakPolarHBondContact OD1-CG1 3.27Å; N579-V670 WeakPolarHBondContact OD1-CG2 3.48Å
580V94.6Very high86.5Confident0 Ų027.7 Ų27.70%014%0.137CC..EExtended strand (participates in β ladder)trans-110.6125.6-178.8-176.70000108.5L569 I578 V668 G669 L701 T703L569-V580 HydrophobicContact CD1-CG1 3.64Å; L569-V580 HydrophobicContact CD2-CG1 4.04Å; L569-V580 HydrophobicContact CG-CG1 3.94Å; I578-V580 HydrophobicContact CG2-CG2 4.4Å; V580-V668 HydrophobicContact CB-CB 4.36Å; V580-V668 HydrophobicContact CG1-CB 4.15Å; V580-V668 HydrophobicContact CG1-CG2 4.49Å; V580-V668 WeakPolarHBondContact O-CB 3.48Å; V580-V668 PolarHBondContact O-N 3.43Å; V580-G669 PolarHBondContact N-O 3.26Å; V580-G669 PolarHBondContact O-N 3.43Å; V580-L701 HydrophobicContact CG1-CD1 4.33Å; V580-L701 HydrophobicContact CG2-CD1 3.96Å; V580-L701 HydrophobicContact CG2-CD2 4.27Å; V580-T703 HydrophobicContact CB-CG2 4.37Å; V580-T703 HydrophobicContact CG2-CG2 4.41Å
581Y94.6Very high84.7Confident0 Ų031.2 Ų31.20%016%0.158CC..EExtended strand (participates in β ladder)trans-121.8151.7-179.3-60.6-86.9000110.9I548 P549 E550 L569 L570 A572 N579 H666 L667I548-Y581 HydrophobicContact CG2-CD1 3.6Å; I548-Y581 HydrophobicContact CG2-CD2 4.18Å; I548-Y581 HydrophobicContact CG2-CE1 3.38Å; I548-Y581 HydrophobicContact CG2-CE2 3.97Å; I548-Y581 HydrophobicContact CG2-CG 4Å; P549-Y581 VanDerWaalsContact O-CE1 3.25Å; P549-Y581 WeakPolarHBondContact O-CE1 3.49Å; E550-Y581 PolarHBondContact O-OH 3.34Å; L569-Y581 WeakPolarHBondContact CA-O 3.27Å; L569-Y581 WeakPolarHBondContact CD1-O 3.47Å; L570-Y581 PolarHBondContact N-O 3.11Å; L570-Y581 PolarHBondContact O-N 3.46Å; A572-Y581 HydrophobicContact CB-CD2 4.26Å; A572-Y581 HydrophobicContact CB-CE2 3.82Å; N579-Y581 HydrophobicContact CB-CD2 4.31Å; N579-Y581 HydrophobicContact CB-CE2 3.45Å; N579-Y581 VanDerWaalsContact CB-CE2 3.45Å; N579-Y581 PolarHBondContact ND2-OH 3.22Å; N579-Y581 VanDerWaalsContact ND2-OH 3.15Å; Y581-H666 CarbonylContact C-O 3.57Å; Y581-H666 WeakPolarHBondContact CA-O 3.32Å; Y581-L667 HydrophobicContact CD1-CB 4.1Å; Y581-L667 HydrophobicContact CD1-CD1 4.01Å; Y581-L667 HydrophobicContact CE1-CB 3.88Å; Y581-L667 HydrophobicContact CE1-CD1 3.52Å; Y581-L667 HydrophobicContact CE1-CG 4.27Å; Y581-L667 HydrophobicContact CE2-CD1 4.42Å
582R93Very high82.1Confident16 Ų1638.4 Ų38.46%0.0620%0.197CC..EExtended strand (participates in β ladder)trans-121.2120.4172-170.166.3164.5-172.60.2108.7D564 N567 F584 C665 H666 V668 S754 G755D564-R582 IonicContact OD2-CZ 3.56Å; D564-R582 IonicContact OD2-NH1 3.32Å; D564-R582 PolarHBondContact OD2-NH1 2.83Å; D564-R582 IonicContact OD2-NH2 3.33Å; N567-R582 PolarHBondContact O-NE 2.93Å; N567-R582 PolarHBondContact O-NH1 3.48Å; N567-R582 VanDerWaalsContact O-NH1 3.11Å; N567-R582 PolarHBondContact O-NH2 2.89Å; R582-F584 HydrophobicContact CB-CE2 4.07Å; R582-F584 HydrophobicContact CB-CZ 4.34Å; R582-F584 HydrophobicContact CG-CD2 4.2Å; R582-F584 HydrophobicContact CG-CE1 3.94Å; R582-F584 HydrophobicContact CG-CE2 3.59Å; R582-F584 HydrophobicContact CG-CZ 3.45Å; R582-F584 VanDerWaalsContact CG-CZ 3.45Å; R582-C665 WeakPolarHBondContact O-CA 3.23Å; R582-H666 PolarHBondContact N-O 2.96Å; R582-H666 PolarHBondContact O-N 3.1Å; R582-V668 HydrophobicContact CB-CG2 3.74Å; R582-S754 WeakPolarHBondContact CD-O 3.35Å; R582-S754 PolarHBondContact NE-O 3.13Å; R582-S754 VanDerWaalsContact NE-O 3.17Å; R582-G755 PolarHBondContact NH2-O 3.29Å
583Y91.4Very high79Confident1 Ų144.7 Ų44.70%0.00423%0.23CC..EExtended strand (participates in β ladder)trans-96.8117.2175.4172-130.5000109.7I537 I546 N567 P568 M585 N664I537-Y583 HydrophobicContact CD1-CD1 4.43Å; I537-Y583 HydrophobicContact CD1-CD2 4.22Å; I537-Y583 HydrophobicContact CD1-CG 3.92Å; I537-Y583 HydrophobicContact CG2-CD1 4.41Å; I537-Y583 HydrophobicContact CG2-CE1 4.28Å; I546-Y583 HydrophobicContact CD1-CD2 4.09Å; I546-Y583 HydrophobicContact CD1-CE2 3.19Å; N567-Y583 CarbonylContact C-O 3.55Å; N567-Y583 VanDerWaalsContact C-O 3.3Å; N567-Y583 WeakPolarHBondContact CA-O 3.39Å; P568-Y583 HydrophobicContact CG-CD1 3.86Å; P568-Y583 PolarHBondContact O-N 2.87Å; Y583-M585 HydrophobicContact CE1-CB 4.39Å; Y583-N664 WeakPolarHBondContact CD2-O 3.33Å
584F88.8Confident75.6Confident8 Ų848.9 Ų48.94%0.03526%0.261CS..EExtended strand (participates in β ladder)trans-103.6108.2174-62.4-81000110.1N567 R582 N586 E587 G663 N664 H666 F757 V783N567-F584 HydrophobicContact CB-CD1 3.94Å; N567-F584 HydrophobicContact CB-CE1 4.42Å; N567-F584 WeakPolarHBondContact OD1-CA 3.26Å; R582-F584 HydrophobicContact CB-CE2 4.07Å; R582-F584 HydrophobicContact CB-CZ 4.34Å; R582-F584 HydrophobicContact CG-CD2 4.2Å; R582-F584 HydrophobicContact CG-CE1 3.94Å; R582-F584 HydrophobicContact CG-CE2 3.59Å; R582-F584 HydrophobicContact CG-CZ 3.45Å; R582-F584 VanDerWaalsContact CG-CZ 3.45Å; F584-N586 PolarHBondContact O-N 3.27Å; F584-E587 HydrophobicContact CB-CB 3.6Å; F584-E587 VanDerWaalsContact CD2-OE2 3.25Å; F584-E587 WeakPolarHBondContact CD2-OE2 3.47Å; F584-E587 HydrophobicContact CG-CB 4.44Å; F584-G663 VanDerWaalsContact O-CA 3.23Å; F584-G663 WeakPolarHBondContact O-CA 2.92Å; F584-N664 PolarHBondContact N-O 3.48Å; F584-N664 PolarHBondContact O-N 3.33Å; F584-H666 AromaticContact CD2-CD2 3.62Å; F584-H666 AromaticContact CE2-CD2 3.68Å; F584-F757 AromaticContact CE1-CE2 3.91Å; F584-F757 HydrophobicContact CE1-CE2 3.91Å; F584-F757 AromaticContact CE1-CZ 3.87Å; F584-F757 HydrophobicContact CE1-CZ 3.87Å; F584-F757 HydrophobicContact CZ-CZ 4.21Å; F584-V783 HydrophobicContact CB-CG1 4.28Å; F584-V783 HydrophobicContact CD1-CB 4.17Å; F584-V783 HydrophobicContact CD1-CG1 3.5Å; F584-V783 VanDerWaalsContact CD1-CG1 3.5Å; F584-V783 HydrophobicContact CD2-CG1 4.38Å; F584-V783 HydrophobicContact CE1-CG1 3.79Å; F584-V783 HydrophobicContact CG-CG1 3.81Å; F584-V783 HydrophobicContact CZ-CG1 4.34Å
585M81.7Confident72.6Confident61 Ų6153.8 Ų53.830%0.329%0.292SS..EExtended strand (participates in β ladder)trans-62.7-33.4-176.7-179.7175.3174.200113R525 N567 Y583 G663R525-M585 PolarHBondContact NH2-SD 2.81Å; N567-M585 PolarHBondContact OD1-N 3.35Å; Y583-M585 HydrophobicContact CE1-CB 4.39Å; M585-G663 WeakPolarHBondContact O-CA 2.96Å; M585-G663 PolarHBondContact O-N 2.88Å
586N80.4Confident69.9Low62 Ų6253.8 Ų53.833%0.33230%0.296SS..EExtended strand (participates in β ladder)trans-108.76.7-171.1-73.9-22.6000113.3F584 C588 M784F584-N586 PolarHBondContact O-N 3.27Å; N586-C588 PolarHBondContact O-N 3.49Å; N586-M784 HydrophobicContact CB-CE 3.63Å; N586-M784 VanDerWaalsContact O-CE 3.25Å; N586-M784 WeakPolarHBondContact O-CE 3.5Å
587E82.9Confident67.3Low13 Ų1355.1 Ų55.16%0.06131%0.308CS..EExtended strand (participates in β ladder)trans-68.7128.5-179.3-168.4-178.5171.600111.4F584 I589 F662 G663 N664 H666 R782 V783F584-E587 HydrophobicContact CB-CB 3.6Å; F584-E587 VanDerWaalsContact CD2-OE2 3.25Å; F584-E587 WeakPolarHBondContact CD2-OE2 3.47Å; F584-E587 HydrophobicContact CG-CB 4.44Å; E587-I589 PolarHBondContact O-N 3.37Å; E587-F662 CarbonylContact O-C 3.58Å; E587-F662 VanDerWaalsContact O-CA 3.25Å; E587-F662 WeakPolarHBondContact O-CA 3.4Å; E587-G663 PolarHBondContact O-N 2.74Å; E587-N664 HydrophobicContact CB-CB 4.29Å; E587-H666 IonicContact OE1-CE1 3.78Å; E587-H666 IonicContact OE1-NE2 3.53Å; E587-H666 PolarHBondContact OE1-NE2 3.04Å; E587-H666 IonicContact OE2-CD2 3.18Å; E587-H666 PolarHBondContact OE2-CD2 2.96Å; E587-H666 IonicContact OE2-CE1 3.74Å; E587-H666 IonicContact OE2-NE2 2.88Å; E587-H666 PolarHBondContact OE2-NE2 2.95Å; E587-R782 WeakPolarHBondContact CA-O 3.24Å; E587-R782 HydrophobicContact CG-CG 3.88Å; E587-V783 HydrophobicContact CB-CG1 4.28Å; E587-V783 HydrophobicContact CG-CG1 4.15Å
588C73Confident64.1Low1 Ų155.8 Ų55.81%0.00733%0.325CS..EExtended strand (participates in β ladder)trans-70.8122.3172.2-78.80000110.3N586 L590 I661 F662 R782 A818N586-C588 PolarHBondContact O-N 3.49Å; C588-L590 HydrophobicContact CB-CD1 4.35Å; C588-L590 HydrophobicContact CB-CD2 3.83Å; C588-L590 HydrophobicContact CB-CG 3.86Å; C588-L590 PolarHBondContact O-N 3.36Å; C588-L590 VanDerWaalsContact O-N 3.07Å; C588-I661 WeakPolarHBondContact CA-O 3.12Å; C588-F662 WeakPolarHBondContact SG-CE1 3.35Å; C588-R782 PolarHBondContact N-O 3.27Å; C588-R782 VanDerWaalsContact N-O 3.13Å; C588-A818 VanDerWaalsContact SG-CB 3.54Å
589I71.7Confident60.9Low51 Ų5161 Ų6126%0.26236%0.362SS..  trans-78.694.2172.3-50.5-175.8000108.3E587 A660 I661 G663 N664E587-I589 PolarHBondContact O-N 3.37Å; I589-A660 WeakPolarHBondContact CD1-O 3.22Å; I589-I661 PolarHBondContact N-O 2.96Å; I589-G663 WeakPolarHBondContact CD1-O 2.97Å; I589-N664 HydrophobicContact CG1-CB 4.35Å
590L66.2Low57.5Low12 Ų1271.9 Ų71.96%0.06340%0.403CS..  trans-95.5-19.8-176.7-56.7175.9000113.3C588 A822 L825 E827 K830 L834C588-L590 HydrophobicContact CB-CD1 4.35Å; C588-L590 HydrophobicContact CB-CD2 3.83Å; C588-L590 HydrophobicContact CB-CG 3.86Å; C588-L590 PolarHBondContact O-N 3.36Å; C588-L590 VanDerWaalsContact O-N 3.07Å; L590-A822 HydrophobicContact CD1-CB 4.23Å; L590-A822 HydrophobicContact CD2-CB 3.67Å; L590-L825 HydrophobicContact CD1-CD1 3.42Å; L590-L825 VanDerWaalsContact CD1-CD1 3.42Å; L590-E827 VanDerWaalsContact C-OE2 3.3Å; L590-E827 VanDerWaalsContact CB-CD 3.44Å; L590-E827 WeakPolarHBondContact CB-OE2 3.18Å; L590-K830 HydrophobicContact CD2-CG 4.07Å; L590-L834 HydrophobicContact CD2-CD1 4.07Å
591T55.6Low54.1Low75 Ų7581.2 Ų81.246%0.4644%0.443SS..SBendtrans-122.6136.7177.755.20000112.2L593 E827T591-L593 PolarHBondContact O-N 3.35Å; T591-L593 VanDerWaalsContact O-N 3.14Å; T591-E827 WeakPolarHBondContact CG2-OE2 3.43Å
592N39.7Very low50.7Low152 Ų15287.4 Ų87.481%0.81348%0.481SS*.  trans-72.5101.2166-81-25.2000107.9S594N592-S594 PolarHBondContact O-N 3.48Å
593L29.8Very low47.3Very low132 Ų13292.9 Ų92.969%0.69151%0.511SS*.THydrogen-bonded Turntrans-66.583.6171.8-94.4128.8000110.4T591T591-L593 PolarHBondContact O-N 3.35Å; T591-L593 VanDerWaalsContact O-N 3.14Å
594S23.1Very low44.1Very low104 Ų10498.5 Ų98.573%0.72754%0.541SS*.THydrogen-bonded Turntrans-142.411158.260.10000113.5N592N592-S594 PolarHBondContact O-N 3.48Å
595V24.5Very low41.1Very low114 Ų114106.6 Ų106.669%0.69158%0.581SS**  trans-140.462.8177.6-166.10000111.9
596V25.5Very low38.4Very low132 Ų132112.1 Ų112.180%0.861%0.611SS**SBendtrans-142.950.2156.1-162.60000110.9
597V23Very low35.6Very low137 Ų137116.1 Ų116.183%0.8363%0.628SS**SBendtrans-142.870.2152.7-171.50000108.1
598S21.5Very low32.8Very low92 Ų92123.6 Ų123.664%0.64367%0.667SS**SBendtrans-164.1109.5148.549.80000109.6R600S598-R600 PolarHBondContact O-N 2.85Å
599S23.3Very low30.5Very low115 Ų115128.2 Ų128.280%0.80470%0.696SS**  trans9.1105.514658.10000116.8
600R23.8Very low28.2Very low231 Ų231134 Ų13487%0.87273%0.725SS**  trans-133.6104.5141.8-78.5-169177.1169.20.3109.6S598 V602S598-R600 PolarHBondContact O-N 2.85Å; R600-V602 PolarHBondContact O-N 2.89Å
601K22.2Very low26.3Very low196 Ų196141.6 Ų141.685%0.85276%0.757SS**  trans-43.9119.5147.5-71.6177.7172.1-176.30107.9
602V24.7Very low24.7Very low130 Ų130144.9 Ų144.979%0.78877%0.767SS**  trans-122.274.8155.2-174.80000105.4R600R600-V602 PolarHBondContact O-N 2.89Å
603D21.3Very low24.1Very low132 Ų132145.6 Ų145.671%0.70676%0.763SS**  trans-75.1126148.4-79.5-40.8000107.2
604N24.1Very low23.8Very low118 Ų118144.5 Ų144.563%0.63176%0.762SS**  trans67.6110.3150.2-60.5-14.6000120
605M24.9Very low23.9Very low178 Ų178144.9 Ų144.988%0.87776%0.756SS**  -154.780.4119.6-82.9-138.376.300111.3
606L24.6Very low24.1Very low178 Ų178147.5 Ų147.593%0.93276%0.758SS**  trans-140.977.7138.5-86.7176.5000106.4
607E23.1Very low23.9Very low145 Ų145146.2 Ų146.268%0.67876%0.755SS**  trans-108.8125158-87.8-168.117000108.5
608I23.8Very low24.1Very low171 Ų171147.9 Ų147.988%0.87775%0.754SS**  trans-107139.5145.8-67.2177.4000105.4
609P24.5Very low24.3Very low97 Ų97149.6 Ų149.663%0.6376%0.756SS**  trans-110.7151.7-133.137.5-30.7000114.1
610M23.8Very low24.5Very low174 Ų174150.2 Ų150.286%0.85775%0.75SS**  trans-152.4105.6137-82.6-155.1101.300111.3
611K25.2Very low24.5Very low171 Ų171143.4 Ų143.474%0.74374%0.738SS**  32.4141.4126.7-70.5-178177.5-1790119
612Q22.8Very low24.7Very low144 Ų144140.9 Ų140.967%0.67373%0.732SS**  cis175.6165.2-6.1-117.8178.2-17.300106.5
613F25.7Very low24.6Very low166 Ų166141 Ų14173%0.72873%0.728SS**  trans99.292.4162.7-67.5-75.4000117.5
614T24.3Very low24.9Very low109 Ų109142.1 Ų142.167%0.66973%0.732SS**  82.2137.586.356.60000112.5
615D25.7Very low25Very low112 Ų112141.3 Ų141.360%0.59973%0.732SS**  cis-172.9148.634.6-131.45.3000111.2
616K27.6Very low25Very low169 Ų169139.3 Ų139.374%0.73573%0.725SS**  trans65.3122.7149.4-65.2163.6-177.6144.10120.1
617S22.7Very low25.3Very low105 Ų105139.2 Ų139.273%0.73472%0.719SS**  cis71.9132.43691.50000116.8
618Q27.5Very low25.3Very low172 Ų172137.8 Ų137.880%0.80472%0.716SS**  trans121135.1169.2-74.4-169.1-2.700112.8
619N24Very low25.6Very low129 Ų129139 Ų13969%0.6972%0.715SS**  cis-177.1169.5-10.2-121.4-5.6000108.8
620N27.7Very low25.6Very low127 Ų127140.8 Ų140.868%0.67972%0.719SS**  trans85.7107.7160.9-59.4-8.4000116.5
621S23.5Very low25.9Very low89 Ų89139.6 Ų139.662%0.62272%0.715SS**  cis68130.431.596.50000115.3
622I26.4Very low26Very low142 Ų142137.8 Ų137.873%0.72871%0.714SS**  trans163.9107.4138.6-80152.1000106.5
623L23.5Very low26Very low134 Ų134138.8 Ų138.870%0.70272%0.724SS**  72.4129.464.2-79.6158.9000114.7
624I27.6Very low26Very low154 Ų154134.8 Ų134.879%0.7973%0.729SS**  trans-173.294.2136.5-90.1152.7000105.8
625T27Very low25.9Very low102 Ų102136.1 Ų136.163%0.62674%0.737SS**  87.711187.961.50000113
626N24.6Very low25.8Very low136 Ų136136.1 Ų136.173%0.72775%0.746SS**  78.7122.871.8-88.3-8.4000115.9
627H29.3Very low25.5Very low175 Ų175139.2 Ų139.281%0.8175%0.753SS**  179.5111.6126.5-95.1-57.3000109.3
628N24.9Very low25.6Very low116 Ų116138.8 Ų138.862%0.6275%0.75SS**  86.9121.164.9-89.7-1.6000116.2
629K29.2Very low25.4Very low196 Ų196138.1 Ų138.185%0.85275%0.752SS**  -179.6102.8121.9-96.7171.1-178.6179.50109
630N24.4Very low25.4Very low134 Ų134137 Ų13772%0.71775%0.754SS**  58.9127.492.6-72.1-10.5000113.8
631I29.4Very low25.3Very low149 Ų149136.5 Ų136.576%0.76476%0.756SS**  -167.4130.379.6-84.8168.2000112.6
632N28.3Very low25.3Very low134 Ų134138.2 Ų138.272%0.71776%0.762SS**  trans64.7111.9140.5-60.7-6.9000126.2
633N22.6Very low25.2Very low165 Ų165135.9 Ų135.988%0.88276%0.759SS**  43.4124.4115.9-70.1-5.7000122.4
634G26Very low25.2Very low81 Ų81135.2 Ų135.284%0.83576%0.76SS**  trans179.5106.5155.300000113.8
635T22.2Very low25.2Very low137 Ų137135.7 Ų135.784%0.8476%0.764SS**  trans-70.4144.5176.243.90000114.3
636S23.3Very low25.1Very low112 Ų112141.3 Ų141.378%0.78378%0.78SS**  135.3129.3127.868.90000117.8
637R22.2Very low25.2Very low234 Ų234138.1 Ų138.188%0.88378%0.78SS**  trans45.8117.5141.6-76.4-179.5168.7167.1-3.7122.6
638S24.4Very low24.9Very low97 Ų97137.4 Ų137.468%0.67878%0.782SS**  75.4135.2124.669.60000121.9
639N23.5Very low25Very low158 Ų158139.5 Ų139.585%0.84579%0.793SS**  trans103.4134.5146.8-66.4-6.5000119.3
640S23.8Very low24.8Very low105 Ų105139.6 Ų139.673%0.73479%0.794SS**  trans-75.2167.1178.845.90000113.9
641V24.3Very low24.8Very low117 Ų117140.9 Ų140.971%0.70980%0.799SS**  trans101.7103.5156.4-172.90000116.6
642T24.6Very low24.6Very low124 Ų124140.8 Ų140.876%0.76180%0.8SS**  trans39.3147.5139.465.40000120.5
643S24.3Very low24.4Very low94 Ų94139.3 Ų139.366%0.65780%0.8SS**  cis-171.6167-0.747.30000108.7
644T23.9Very low24.5Very low119 Ų119138.9 Ų138.973%0.7380%0.798SS**  trans66.4110.9158.255.90000120.4
645N27.5Very low24.6Very low164 Ų164145 Ų14588%0.87780%0.802SS**  -154.9104.2123.8-99.7-23.4000110.4
646F24.9Very low24.7Very low220 Ų220144 Ų14497%0.96580%0.8SS**  trans-74.6121.9160.5-97.2-95.1000108
647G25.2Very low25.1Very low69 Ų69142.9 Ų142.971%0.71180%0.798SS**  trans-153.796.2176.200000110.6
648N24.2Very low25.8Very low161 Ų161138.4 Ų138.486%0.86180%0.796SS**  trans18.7104.6156.1-71.1-18.6000117.8
649N26.9Very low27.1Very low160 Ų160136.8 Ų136.886%0.85680%0.795SS**  trans-143124.8141.6-91.6-35.5000110.4
650K24.4Very low28.7Very low198 Ų198131.2 Ų131.286%0.86177%0.771SS**  trans-6.6111172.4-71.1171.4174.7177.90116D652K650-D652 PolarHBondContact O-N 3.33Å
651I25.8Very low30.7Very low160 Ų160127.8 Ų127.882%0.82174%0.744SS**  trans-67.3112.1162.1-66.4165.6000107.2S653I651-S653 PolarHBondContact O-N 3.35Å; I651-S653 VanDerWaalsContact O-N 3.11Å
652D24.6Very low33.1Very low147 Ų147123.4 Ų123.479%0.78672%0.715SS**  trans-60.9107.1158.1-79.8-35.8000107.9K650 N654K650-D652 PolarHBondContact O-N 3.33Å; D652-N654 PolarHBondContact O-N 2.68Å
653S23.5Very low35.7Very low104 Ų104117.5 Ų117.573%0.72768%0.68SS**SBendtrans-68.277.6170.253.80000109.3I651I651-S653 PolarHBondContact O-N 3.35Å; I651-S653 VanDerWaalsContact O-N 3.11Å
654N25.1Very low38.7Very low156 Ų156114.3 Ų114.383%0.83466%0.655SS**  trans-160.628168.7-96-17.3000114.3D652D652-N654 PolarHBondContact O-N 2.68Å
655K27.4Very low41.9Very low210 Ų210108.8 Ų108.891%0.91362%0.621SS**  trans-120.759.9164.2-77.3-173.3177.4-179.20110.7
656S24.7Very low44.9Very low115 Ų115103.7 Ų103.780%0.80459%0.592SS**  trans-101.558.5161.863.20000109.2
657A31.5Very low48.1Very low89 Ų8995.6 Ų95.674%0.73656%0.559SS**  trans-91.6104.2154.700000104.7G659A657-G659 PolarHBondContact O-N 3.16Å
658T37.8Very low51.3Low139 Ų13993.3 Ų93.385%0.85353%0.531SS*.  trans-52.795.816442.50000107.1A660T658-A660 PolarHBondContact O-N 2.91Å
659G50.3Low54.5Low63 Ų6386.5 Ų86.565%0.64950%0.498SS*.  trans-61.1104.4-179.600000107.8A657 I661A657-G659 PolarHBondContact O-N 3.16Å; G659-I661 PolarHBondContact O-N 3.3Å; G659-I661 VanDerWaalsContact O-N 3.12Å
660A57.2Low57.4Low41 Ų4182.8 Ų82.834%0.33948%0.482SS..  trans-59.6118.6177.100000107.8Q544 I589 T658 F662Q544-A660 HydrophobicContact CG-CB 4.13Å; I589-A660 WeakPolarHBondContact CD1-O 3.22Å; T658-A660 PolarHBondContact O-N 2.91Å; A660-F662 VanDerWaalsContact C-N 3.29Å
661I66.7Low60.3Low34 Ų3474.5 Ų74.517%0.17445%0.448CS..SBendtrans-78.7-24-178-66.7163.8000111.1C588 I589 G659 Y815 A818 L834C588-I661 WeakPolarHBondContact CA-O 3.12Å; I589-I661 PolarHBondContact N-O 2.96Å; G659-I661 PolarHBondContact O-N 3.3Å; G659-I661 VanDerWaalsContact O-N 3.12Å; I661-Y815 HydrophobicContact CD1-CD1 3.51Å; I661-Y815 HydrophobicContact CD1-CE1 2.93Å; I661-Y815 HydrophobicContact CG1-CE1 4.44Å; I661-A818 HydrophobicContact CG2-CB 4.46Å; I661-L834 HydrophobicContact CD1-CD2 4.3Å; I661-L834 HydrophobicContact CG2-CD2 4.02Å
662F74.7Confident62.9Low24 Ų2474.2 Ų74.211%0.10544%0.436CS..EExtended strand (participates in β ladder)trans-113.3152.3178.4-60-80.9000108.5Q544 E587 C588 A660 M784 R814 A818Q544-F662 PolarHBondContact NE2-O 2.82Å; E587-F662 CarbonylContact O-C 3.58Å; E587-F662 VanDerWaalsContact O-CA 3.25Å; E587-F662 WeakPolarHBondContact O-CA 3.4Å; C588-F662 WeakPolarHBondContact SG-CE1 3.35Å; A660-F662 VanDerWaalsContact C-N 3.29Å; F662-M784 HydrophobicContact CD1-CE 3.62Å; F662-M784 HydrophobicContact CE1-CE 3.59Å; F662-M784 HydrophobicContact CE1-SD 3.98Å; F662-R814 HydrophobicContact CE2-CB 3.59Å; F662-R814 HydrophobicContact CE2-CG 4.35Å; F662-R814 HydrophobicContact CZ-CB 3.66Å; F662-R814 HydrophobicContact CZ-CG 4.42Å; F662-R814 WeakPolarHBondContact CZ-O 3.23Å; F662-A818 HydrophobicContact CE1-CB 4.32Å; F662-A818 HydrophobicContact CZ-CB 3.93Å
663G79.2Confident65.6Low1 Ų167.4 Ų67.41%0.0140%0.399CS..EExtended strand (participates in β ladder)trans95.1106.9173.900000111.7I546 F584 M585 E587 I589I546-G663 WeakPolarHBondContact CD1-O 3.31Å; F584-G663 VanDerWaalsContact O-CA 3.23Å; F584-G663 WeakPolarHBondContact O-CA 2.92Å; M585-G663 WeakPolarHBondContact O-CA 2.96Å; M585-G663 PolarHBondContact O-N 2.88Å; E587-G663 PolarHBondContact O-N 2.74Å; I589-G663 WeakPolarHBondContact CD1-O 2.97Å
664N87.1Confident68Low26 Ų2664.6 Ų64.614%0.13938%0.379CS..EExtended strand (participates in β ladder)trans-138.3152.5178.4-160.810.2000111.1Y583 F584 E587 I589 H666Y583-N664 WeakPolarHBondContact CD2-O 3.33Å; F584-N664 PolarHBondContact N-O 3.48Å; F584-N664 PolarHBondContact O-N 3.33Å; E587-N664 HydrophobicContact CB-CB 4.29Å; I589-N664 HydrophobicContact CG1-CB 4.35Å; N664-H666 PolarHBondContact ND2-CE1 2.99Å; N664-H666 VanDerWaalsContact ND2-CE1 3.29Å; N664-H666 PolarHBondContact ND2-NE2 3.33Å
665C90.4Very high70Confident3 Ų360.3 Ų60.32%0.0236%0.356CS..EExtended strand (participates in β ladder)trans-121.6127.2178-170.90000109.1I537 I546 P549 R582I537-C665 HydrophobicContact CD1-CB 4.42Å; I546-C665 HydrophobicContact CG2-CB 4.01Å; P549-C665 WeakPolarHBondContact CD-O 3.43Å; P549-C665 VanDerWaalsContact CG-O 3.29Å; P549-C665 WeakPolarHBondContact CG-O 3.43Å; R582-C665 WeakPolarHBondContact O-CA 3.23Å
666H91.1Very high72.1Confident57 Ų5752.2 Ų52.226%0.26433%0.333SS..EExtended strand (participates in β ladder)trans-114.2140.3179.6-62.1-84.3000111.4Y581 R582 F584 E587 N664 V668Y581-H666 CarbonylContact C-O 3.57Å; Y581-H666 WeakPolarHBondContact CA-O 3.32Å; R582-H666 PolarHBondContact N-O 2.96Å; R582-H666 PolarHBondContact O-N 3.1Å; F584-H666 AromaticContact CD2-CD2 3.62Å; F584-H666 AromaticContact CE2-CD2 3.68Å; E587-H666 IonicContact OE1-CE1 3.78Å; E587-H666 IonicContact OE1-NE2 3.53Å; E587-H666 PolarHBondContact OE1-NE2 3.04Å; E587-H666 IonicContact OE2-CD2 3.18Å; E587-H666 PolarHBondContact OE2-CD2 2.96Å; E587-H666 IonicContact OE2-CE1 3.74Å; E587-H666 IonicContact OE2-NE2 2.88Å; E587-H666 PolarHBondContact OE2-NE2 2.95Å; N664-H666 PolarHBondContact ND2-CE1 2.99Å; N664-H666 VanDerWaalsContact ND2-CE1 3.29Å; N664-H666 PolarHBondContact ND2-NE2 3.33Å; H666-V668 PolarHBondContact O-N 2.95Å
667L93.3Very high74.9Confident51 Ų5148.7 Ų48.727%0.26730%0.303SS..EExtended strand (participates in β ladder)trans-73.1117.3164.4178.867.2000109E550 N579 Y581 V670E550-L667 HydrophobicContact CB-CD2 4.2Å; E550-L667 WeakPolarHBondContact OE2-CD2 3.37Å; N579-L667 HydrophobicContact CB-CD1 4.31Å; Y581-L667 HydrophobicContact CD1-CB 4.1Å; Y581-L667 HydrophobicContact CD1-CD1 4.01Å; Y581-L667 HydrophobicContact CE1-CB 3.88Å; Y581-L667 HydrophobicContact CE1-CD1 3.52Å; Y581-L667 HydrophobicContact CE1-CG 4.27Å; Y581-L667 HydrophobicContact CE2-CD1 4.42Å; L667-V670 HydrophobicContact CD1-CG2 4.34Å
668V92.1Very high77.6Confident20 Ų2046.8 Ų46.812%0.12128%0.28CS..EExtended strand (participates in β ladder)trans-84.7-41.6178.3-178.10000110.5V580 R582 H666 T703 S754V580-V668 HydrophobicContact CB-CB 4.36Å; V580-V668 HydrophobicContact CG1-CB 4.15Å; V580-V668 HydrophobicContact CG1-CG2 4.49Å; V580-V668 WeakPolarHBondContact O-CB 3.48Å; V580-V668 PolarHBondContact O-N 3.43Å; R582-V668 HydrophobicContact CB-CG2 3.74Å; H666-V668 PolarHBondContact O-N 2.95Å; V668-T703 HydrophobicContact CG1-CG2 4.07Å; V668-S754 WeakPolarHBondContact CG1-OG 3.26Å
669G90.1Very high80.2Confident18 Ų1840.3 Ų40.319%0.18624%0.241CC..EExtended strand (participates in β ladder)trans171.6175.5177.500000113.8V580V580-G669 PolarHBondContact N-O 3.26Å; V580-G669 PolarHBondContact O-N 3.43Å
670V89.5Confident82.1Confident83 Ų8338.1 Ų38.150%0.50321%0.214SC..EExtended strand (participates in β ladder)trans-125.2134.2-177.3-178.40000109.5R577 I578 N579 L667R577-V670 HydrophobicContact CB-CG1 4.44Å; I578-V670 CarbonylContact O-C 3.45Å; I578-V670 WeakPolarHBondContact O-CA 3.39Å; N579-V670 WeakPolarHBondContact OD1-CG1 3.27Å; N579-V670 WeakPolarHBondContact OD1-CG2 3.48Å; L667-V670 HydrophobicContact CD1-CG2 4.34Å
671T84.2Confident83.7Confident24 Ų2436.4 Ų36.415%0.14720%0.199CC..EExtended strand (participates in β ladder)trans-127.2151.1178.1-53.10000109.8R577 I578 T702R577-T671 CarbonylContact C-O 3.57Å; R577-T671 WeakPolarHBondContact CA-O 3.21Å; I578-T671 PolarHBondContact N-O 3.29Å; I578-T671 PolarHBondContact O-N 3.37Å; T671-T702 HydrophobicContact CG2-CG2 3.63Å; T671-T702 PolarHBondContact OG1-OG1 2.82Å
672R80.4Confident84.7Confident154 Ų15434.8 Ų34.858%0.58119%0.191SC*.EExtended strand (participates in β ladder)trans-77.9134.7173.1-172.3178.7173.9-172.7-6110.7L576L576-R672 WeakPolarHBondContact O-CG 3.46Å
673L81.5Confident85.3Confident3 Ų334 Ų342%0.01619%0.188CC..PPolyproline II helixtrans-80.9128168.6-176.465.1000108.9Y573 D574 L576 I578 N675 H677 P679 M689Y573-L673 HydrophobicContact CD2-CD2 4.41Å; D574-L673 WeakPolarHBondContact O-CD2 3.48Å; L576-L673 PolarHBondContact O-N 2.92Å; I578-L673 HydrophobicContact CD1-CB 4.22Å; I578-L673 HydrophobicContact CD1-CD1 3.73Å; I578-L673 HydrophobicContact CG1-CB 3.88Å; I578-L673 HydrophobicContact CG1-CD1 4.12Å; L673-N675 PolarHBondContact O-N 3.07Å; L673-H677 HydrophobicContact CD1-CB 4.37Å; L673-P679 HydrophobicContact CD1-CG 3.56Å; L673-P679 HydrophobicContact CD2-CG 4.18Å; L673-M689 HydrophobicContact CD1-CE 4.48Å; L673-M689 HydrophobicContact CD1-SD 3.62Å
674P73.3Confident85.4Confident46 Ų4635.3 Ų35.330%0.29920%0.195SC..PPolyproline II helixtrans-59.9135.9171.8-24.535.8000111.3G676 H677 M689P674-G676 PolarHBondContact O-N 3.04Å; P674-H677 HydrophobicContact CB-CB 4.45Å; P674-H677 WeakPolarHBondContact O-CB 3.47Å; P674-H677 PolarHBondContact O-N 2.94Å; P674-H677 VanDerWaalsContact O-N 3.11Å; P674-H677 PolarHBondContact O-ND1 3.04Å; P674-M689 HydrophobicContact CG-CE 4.32Å
675N68.8Low85.2Confident65 Ų6534.1 Ų34.135%0.34819%0.189SC..THydrogen-bonded Turntrans-54.8136.5-173.6-70.715.8000111.8Q245 L673 H677Q245-N675 PolarHBondContact NE2-ND2 2.76Å; Q245-N675 VanDerWaalsContact NE2-ND2 3.11Å; L673-N675 PolarHBondContact O-N 3.07Å; N675-H677 PolarHBondContact O-N 3.37Å; N675-H677 VanDerWaalsContact O-N 3.16Å; N675-H677 PolarHBondContact O-ND1 3.2Å
676G70.9Confident85Confident41 Ų4135.6 Ų35.642%0.42320%0.195SC..THydrogen-bonded Turntrans66.78.7178.200000115.1L312 P674 P692L312-G676 WeakPolarHBondContact CD1-O 3.43Å; P674-G676 PolarHBondContact O-N 3.04Å; G676-P692 WeakPolarHBondContact O-CG 3.43Å
677H82.8Confident85Confident41 Ų4133.1 Ų33.119%0.1918%0.184CC..  trans-85.3145.3172.1-69.659.7000110.8L673 P674 N675 M689 L690L673-H677 HydrophobicContact CD1-CB 4.37Å; P674-H677 HydrophobicContact CB-CB 4.45Å; P674-H677 WeakPolarHBondContact O-CB 3.47Å; P674-H677 PolarHBondContact O-N 2.94Å; P674-H677 VanDerWaalsContact O-N 3.11Å; P674-H677 PolarHBondContact O-ND1 3.04Å; N675-H677 PolarHBondContact O-N 3.37Å; N675-H677 VanDerWaalsContact O-N 3.16Å; N675-H677 PolarHBondContact O-ND1 3.2Å; H677-M689 HydrophobicContact CB-CE 4.05Å; H677-M689 HydrophobicContact CB-SD 4.48Å; H677-L690 CarbonylContact C-O 3.49Å; H677-L690 WeakPolarHBondContact CA-O 3.42Å; H677-L690 WeakPolarHBondContact CB-O 3.26Å
678L87.7Confident84.8Confident49 Ų4931 Ų3126%0.25717%0.173SC..EExtended strand (participates in β ladder)trans-113.6109.2178.9178.664000110.5L312 L680 M689 L690L312-L678 HydrophobicContact CB-CB 4.45Å; L312-L678 HydrophobicContact CB-CD2 4.04Å; L312-L678 HydrophobicContact CD1-CB 3.99Å; L312-L678 WeakPolarHBondContact O-CD2 3.3Å; L678-L680 HydrophobicContact CD2-CD2 4.13Å; L678-L680 HydrophobicContact CG-CD2 4.19Å; L678-L680 PolarHBondContact O-N 3.4Å; L678-M689 CarbonylContact O-C 3.43Å; L678-M689 WeakPolarHBondContact O-CA 3.33Å; L678-M689 WeakPolarHBondContact O-CB 3.48Å; L678-L690 HydrophobicContact CB-CB 4.36Å; L678-L690 PolarHBondContact N-O 3.48Å; L678-L690 PolarHBondContact O-N 2.97Å
679P92.6Very high84.7Confident3 Ų330.2 Ų30.22%0.01917%0.168CC..EExtended strand (participates in β ladder)trans-63127.9170.4-2435.6000112.6L559 Y573 L673 L687 M689L559-P679 HydrophobicContact CD1-CB 3.91Å; Y573-P679 HydrophobicContact CD1-CB 4.04Å; Y573-P679 HydrophobicContact CD1-CG 4.13Å; Y573-P679 HydrophobicContact CD2-CB 4.47Å; Y573-P679 HydrophobicContact CD2-CG 3.8Å; Y573-P679 HydrophobicContact CE1-CB 3.76Å; Y573-P679 HydrophobicContact CE1-CG 4.15Å; Y573-P679 HydrophobicContact CE2-CB 4.24Å; Y573-P679 HydrophobicContact CE2-CG 3.85Å; Y573-P679 HydrophobicContact CG-CB 4.37Å; Y573-P679 HydrophobicContact CG-CG 3.95Å; Y573-P679 PolarHBondContact OH-O 2.86Å; L673-P679 HydrophobicContact CD1-CG 3.56Å; L673-P679 HydrophobicContact CD2-CG 4.18Å; P679-L687 HydrophobicContact CB-CD1 4.15Å; P679-L687 HydrophobicContact CB-CD2 4.3Å; P679-L687 HydrophobicContact CG-CD2 4.46Å; P679-M689 HydrophobicContact CB-CG 4.43Å; P679-M689 HydrophobicContact CG-SD 4.13Å
680L90.7Very high84.6Confident17 Ų1729.4 Ų29.49%0.08916%0.16CC..EExtended strand (participates in β ladder)trans-104.4-56-178.3-60.6179.5000112A314 L316 L325 L559 L678 C688 L690 L696A314-L680 HydrophobicContact CB-CD1 4.31Å; A314-L680 HydrophobicContact CB-CD2 3.59Å; L316-L680 HydrophobicContact CD1-CB 4.33Å; L316-L680 WeakPolarHBondContact CD1-O 3.33Å; L325-L680 HydrophobicContact CD1-CD1 3.68Å; L325-L680 HydrophobicContact CD2-CD1 3.77Å; L325-L680 HydrophobicContact CG-CD1 4.4Å; L559-L680 WeakPolarHBondContact CD2-O 3.18Å; L678-L680 HydrophobicContact CD2-CD2 4.13Å; L678-L680 HydrophobicContact CG-CD2 4.19Å; L678-L680 PolarHBondContact O-N 3.4Å; L680-C688 PolarHBondContact N-O 3.44Å; L680-L690 HydrophobicContact CD1-CD1 4.3Å; L680-L690 HydrophobicContact CD1-CD2 4.16Å; L680-L690 HydrophobicContact CD1-CG 3.77Å; L680-L690 HydrophobicContact CD2-CD1 4.26Å; L680-L690 HydrophobicContact CD2-CG 4.32Å; L680-L690 HydrophobicContact CG-CG 4.25Å; L680-L696 HydrophobicContact CD1-CD1 3.81Å
681C90.3Very high83.9Confident4 Ų425.9 Ų25.93%0.02714%0.139CC..EExtended strand (participates in β ladder)trans-152.9163.4-178.657.30000112.2L316 L562 L687 C688L316-C681 HydrophobicContact CD1-CB 3.69Å; L562-C681 HydrophobicContact CD1-CB 3.66Å; L562-C681 HydrophobicContact CG-CB 4.18Å; C681-L687 WeakPolarHBondContact O-CD1 3.46Å; C681-C688 PolarHBondContact N-O 3.21Å; C681-C688 PolarHBondContact O-N 3.09Å
682S89.1Confident83.1Confident0 Ų026 Ų260%014%0.14CC..EExtended strand (participates in β ladder)trans-119.3135.9171-179.70000110.2D561 L562 I571 E686D561-S682 WeakPolarHBondContact CA-O 3.4Å; D561-S682 PolarHBondContact OD2-OG 2.95Å; L562-S682 WeakPolarHBondContact CG-O 3.3Å; L562-S682 PolarHBondContact N-O 3.33Å; I571-S682 VanDerWaalsContact CD1-CB 3.45Å; S682-E686 WeakPolarHBondContact CA-O 3.41Å
683I86.6Confident82.4Confident8 Ų822.5 Ų22.54%0.04114%0.136CC..EExtended strand (participates in β ladder)trans-130.2116.4170.3-64170.5000107.6I339 A342 L562 E563 G685 E686I339-I683 HydrophobicContact CB-CD1 4.48Å; I339-I683 HydrophobicContact CG2-CD1 3.54Å; A342-I683 HydrophobicContact CB-CD1 3.99Å; L562-I683 HydrophobicContact CB-CG1 4.2Å; L562-I683 HydrophobicContact CD1-CD1 4.41Å; L562-I683 HydrophobicContact CD1-CG1 4.15Å; L562-I683 HydrophobicContact CG-CG1 4.36Å; E563-I683 HydrophobicContact CG-CG2 4.02Å; I683-G685 PolarHBondContact O-N 3.35Å; I683-E686 PolarHBondContact N-O 2.8Å; I683-E686 WeakPolarHBondContact O-CB 3.38Å; I683-E686 PolarHBondContact O-N 3.1Å
684N80.7Confident81.9Confident29 Ų2922.6 Ų22.616%0.15514%0.137CC..THydrogen-bonded Turntrans49.843.9179.3-66.1-57.9000112.4K343 D561 E563 E686 R707K343-N684 PolarHBondContact NZ-ND2 3.12Å; D561-N684 VanDerWaalsContact CG-N 3.29Å; D561-N684 PolarHBondContact OD1-N 2.99Å; D561-N684 PolarHBondContact OD2-N 3.38Å; E563-N684 PolarHBondContact OE2-ND2 3.13Å; N684-E686 PolarHBondContact O-N 3.14Å; N684-R707 PolarHBondContact O-NH1 3.47Å
685G83.3Confident81.8Confident1 Ų128.4 Ų28.41%0.0115%0.153CC..THydrogen-bonded Turntrans68.99.4-18000000115.4D561 I683 L701D561-G685 PolarHBondContact OD2-N 2.88Å; D561-G685 VanDerWaalsContact OD2-N 3.15Å; I683-G685 PolarHBondContact O-N 3.35Å; G685-L701 WeakPolarHBondContact O-CB 3.3Å; G685-L701 VanDerWaalsContact O-CG 3.26Å; G685-L701 WeakPolarHBondContact O-CG 3.35Å; G685-L701 PolarHBondContact O-N 3.06Å
686E87Confident82.4Confident34 Ų3426.8 Ų26.816%0.15914%0.144CC..EExtended strand (participates in β ladder)trans-92.5120.6161.6-68.2-178.5167.600109N341 S682 I683 N684 L700 K711N341-E686 PolarHBondContact ND2-OE2 3.01Å; S682-E686 WeakPolarHBondContact CA-O 3.41Å; I683-E686 PolarHBondContact N-O 2.8Å; I683-E686 WeakPolarHBondContact O-CB 3.38Å; I683-E686 PolarHBondContact O-N 3.1Å; N684-E686 PolarHBondContact O-N 3.14Å; E686-L700 HydrophobicContact CG-CB 4.37Å; E686-L700 HydrophobicContact CG-CD1 3.5Å; E686-L700 VanDerWaalsContact CG-CD1 3.5Å; E686-K711 IonicContact OE1-NZ 3.9Å; E686-K711 PolarHBondContact OE1-NZ 3.35Å; E686-K711 IonicContact OE2-NZ 2.97Å; E686-K711 PolarHBondContact OE2-NZ 2.86Å
687L90.3Very high82.8Confident4 Ų427.8 Ų27.82%0.02114%0.14CC..EExtended strand (participates in β ladder)trans-92.6126.3179.4-174.370.6000109.9L559 I571 I578 P679 C681 M689 Q699 L701L559-L687 HydrophobicContact CD1-CD1 4.26Å; I571-L687 HydrophobicContact CD1-CD1 3.7Å; I578-L687 HydrophobicContact CD1-CD2 3.61Å; P679-L687 HydrophobicContact CB-CD1 4.15Å; P679-L687 HydrophobicContact CB-CD2 4.3Å; P679-L687 HydrophobicContact CG-CD2 4.46Å; C681-L687 WeakPolarHBondContact O-CD1 3.46Å; L687-M689 HydrophobicContact CD2-CG 3.76Å; L687-M689 HydrophobicContact CD2-SD 3.45Å; L687-M689 WeakPolarHBondContact CD2-SD 3.37Å; L687-M689 HydrophobicContact CG-CG 3.72Å; L687-M689 HydrophobicContact CG-SD 4.11Å; L687-Q699 PolarHBondContact N-O 2.88Å; L687-Q699 PolarHBondContact O-N 2.8Å; L687-L701 HydrophobicContact CB-CD2 4.11Å; L687-L701 HydrophobicContact CB-CG 4.4Å; L687-L701 HydrophobicContact CD2-CD2 4.31Å
688C89.9Confident82.9Confident6 Ų629.2 Ų29.24%0.04115%0.151CC..EExtended strand (participates in β ladder)trans-97.6128.3173.7-148.90000109L680 C681 L697 T698L680-C688 PolarHBondContact N-O 3.44Å; C681-C688 PolarHBondContact N-O 3.21Å; C681-C688 PolarHBondContact O-N 3.09Å; C688-L697 CarbonylContact C-O 3.53Å; C688-L697 WeakPolarHBondContact CA-O 3.11Å; C688-T698 HydrophobicContact CB-CG2 4.43Å
689M90Very high82.7Confident4 Ų431.8 Ų31.82%0.0216%0.162CC..EExtended strand (participates in β ladder)trans-140155.7-174.1-46.8-168.3-56.700112L673 P674 H677 L678 P679 L687 L697L673-M689 HydrophobicContact CD1-CE 4.48Å; L673-M689 HydrophobicContact CD1-SD 3.62Å; P674-M689 HydrophobicContact CG-CE 4.32Å; H677-M689 HydrophobicContact CB-CE 4.05Å; H677-M689 HydrophobicContact CB-SD 4.48Å; L678-M689 CarbonylContact O-C 3.43Å; L678-M689 WeakPolarHBondContact O-CA 3.33Å; L678-M689 WeakPolarHBondContact O-CB 3.48Å; P679-M689 HydrophobicContact CB-CG 4.43Å; P679-M689 HydrophobicContact CG-SD 4.13Å; L687-M689 HydrophobicContact CD2-CG 3.76Å; L687-M689 HydrophobicContact CD2-SD 3.45Å; L687-M689 WeakPolarHBondContact CD2-SD 3.37Å; L687-M689 HydrophobicContact CG-CG 3.72Å; L687-M689 HydrophobicContact CG-SD 4.11Å; M689-L697 PolarHBondContact N-O 2.92Å; M689-L697 PolarHBondContact O-N 3.44Å
690L86.6Confident82.3Confident1 Ų133 Ų331%0.00517%0.168CC..EExtended strand (participates in β ladder)trans-92.3135.3164.2-64.1175000110.6L312 A314 R327 H677 L678 L680 L696L312-L690 HydrophobicContact CD2-CB 4.26Å; A314-L690 HydrophobicContact CB-CD1 3.69Å; R327-L690 HydrophobicContact CB-CD1 4.34Å; R327-L690 HydrophobicContact CB-CD2 4.32Å; R327-L690 VanDerWaalsContact CD-CD2 3.46Å; H677-L690 CarbonylContact C-O 3.49Å; H677-L690 WeakPolarHBondContact CA-O 3.42Å; H677-L690 WeakPolarHBondContact CB-O 3.26Å; L678-L690 HydrophobicContact CB-CB 4.36Å; L678-L690 PolarHBondContact N-O 3.48Å; L678-L690 PolarHBondContact O-N 2.97Å; L680-L690 HydrophobicContact CD1-CD1 4.3Å; L680-L690 HydrophobicContact CD1-CD2 4.16Å; L680-L690 HydrophobicContact CD1-CG 3.77Å; L680-L690 HydrophobicContact CD2-CD1 4.26Å; L680-L690 HydrophobicContact CD2-CG 4.32Å; L680-L690 HydrophobicContact CG-CG 4.25Å; L690-L696 HydrophobicContact CD2-CB 4.47Å; L690-L696 HydrophobicContact CD2-CD1 4.01Å
691S75.1Confident82.2Confident10 Ų1032.5 Ų32.57%0.0717%0.166CC..  trans-76.2162.7164.560.60000111.4L312 T693 G694 R695L312-S691 WeakPolarHBondContact CD2-O 3.2Å; S691-T693 PolarHBondContact O-N 2.77Å; S691-T693 PolarHBondContact OG-OG1 3.23Å; S691-G694 PolarHBondContact O-N 3.02Å; S691-R695 PolarHBondContact N-O 2.85Å; S691-R695 WeakPolarHBondContact OG-CB 3.42Å; S691-R695 PolarHBondContact OG-N 3.38Å; S691-R695 VanDerWaalsContact OG-N 3.16Å; S691-R695 PolarHBondContact OG-O 2.8Å
692P67.7Low82Confident25 Ų2534.9 Ų34.916%0.16218%0.18CC..THydrogen-bonded Turntrans-53.3-22.5174-26.531.8000114.7Q309 L310 G676 G694Q309-P692 HydrophobicContact CG-CB 4.06Å; Q309-P692 WeakPolarHBondContact CG-O 3.4Å; L310-P692 PolarHBondContact N-O 2.9Å; G676-P692 WeakPolarHBondContact O-CG 3.43Å; P692-G694 VanDerWaalsContact C-N 3.29Å
693T65.1Low81.9Confident82 Ų8235.5 Ų35.550%0.50318%0.184SC..THydrogen-bonded Turntrans-89.812.1177.869.30000112.8S691 R695S691-T693 PolarHBondContact O-N 2.77Å; S691-T693 PolarHBondContact OG-OG1 3.23Å; T693-R695 PolarHBondContact O-N 3.26Å
694G70.7Confident82.1Confident4 Ų435.1 Ų35.14%0.04118%0.182CC..SBendtrans72.45-17800000115R327 S691 P692R327-G694 PolarHBondContact NH1-O 3.42Å; S691-G694 PolarHBondContact O-N 3.02Å; P692-G694 VanDerWaalsContact C-N 3.29Å
695R71.5Confident82.4Confident169 Ų16937.3 Ų37.364%0.63819%0.191SC*.  trans-79.4133.4178-177.9-178.6179.4174.52.2110.3S691 T693S691-R695 PolarHBondContact N-O 2.85Å; S691-R695 WeakPolarHBondContact OG-CB 3.42Å; S691-R695 PolarHBondContact OG-N 3.38Å; S691-R695 VanDerWaalsContact OG-N 3.16Å; S691-R695 PolarHBondContact OG-O 2.8Å; T693-R695 PolarHBondContact O-N 3.26Å
696L81.2Confident82.6Confident30 Ų3037.3 Ų37.316%0.15719%0.191CC..EExtended strand (participates in β ladder)trans-74.3131.8173.8-167.565.7000111.1L325 P340 L680 L690L325-L696 HydrophobicContact CD2-CD1 3.55Å; L325-L696 HydrophobicContact CD2-CD2 3.8Å; L325-L696 HydrophobicContact CD2-CG 4.32Å; P340-L696 HydrophobicContact CG-CD2 3.7Å; L680-L696 HydrophobicContact CD1-CD1 3.81Å; L690-L696 HydrophobicContact CD2-CB 4.47Å; L690-L696 HydrophobicContact CD2-CD1 4.01Å
697L80.8Confident82.5Confident62 Ų6237.5 Ų37.533%0.32519%0.19SC..EExtended strand (participates in β ladder)trans-129.9141179.6-64.4173.4000109.6C688 M689C688-L697 CarbonylContact C-O 3.53Å; C688-L697 WeakPolarHBondContact CA-O 3.11Å; M689-L697 PolarHBondContact N-O 2.92Å; M689-L697 PolarHBondContact O-N 3.44Å
698T83.7Confident82.1Confident72 Ų7242.7 Ų42.744%0.44222%0.217SC..EExtended strand (participates in β ladder)trans-115130.3170.648.60000109.6P340 C688P340-T698 HydrophobicContact CB-CG2 3.7Å; P340-T698 HydrophobicContact CG-CG2 4Å; C688-T698 HydrophobicContact CB-CG2 4.43Å
699Q83Confident81.7Confident103 Ų10345.3 Ų45.348%0.48123%0.227SC..EExtended strand (participates in β ladder)trans-137.1129.6179.6-174.9173.62.400110.4L687 L701L687-Q699 PolarHBondContact N-O 2.88Å; L687-Q699 PolarHBondContact O-N 2.8Å; Q699-L701 PolarHBondContact O-N 2.8Å
700L85.9Confident81.1Confident28 Ų2845.3 Ų45.315%0.14723%0.227CC..EExtended strand (participates in β ladder)trans-68.2129.9170.9-17169.4000109.8E686 H704 R707 L708E686-L700 HydrophobicContact CG-CB 4.37Å; E686-L700 HydrophobicContact CG-CD1 3.5Å; E686-L700 VanDerWaalsContact CG-CD1 3.5Å; L700-H704 HydrophobicContact CD1-CB 4.04Å; L700-H704 WeakPolarHBondContact CD2-O 3.5Å; L700-H704 HydrophobicContact CG-CB 4.36Å; L700-R707 HydrophobicContact CD1-CB 4.25Å; L700-R707 HydrophobicContact CD2-CB 4.35Å; L700-L708 HydrophobicContact CD2-CD1 4.28Å; L700-L708 HydrophobicContact CD2-CD2 3.81Å; L700-L708 HydrophobicContact CD2-CG 3.57Å
701L87.5Confident80.1Confident7 Ų751.3 Ų51.34%0.03725%0.253CS..  trans-59.7145.4176.7-69.1169.1000110.5L569 I571 I578 V580 G685 L687 Q699 T703 H704 Q705L569-L701 HydrophobicContact CD2-CD1 4.07Å; I571-L701 HydrophobicContact CD1-CD1 3.7Å; I571-L701 HydrophobicContact CD1-CD2 4.4Å; I571-L701 HydrophobicContact CG1-CD1 4.33Å; I578-L701 HydrophobicContact CG2-CD2 4.37Å; V580-L701 HydrophobicContact CG1-CD1 4.33Å; V580-L701 HydrophobicContact CG2-CD1 3.96Å; V580-L701 HydrophobicContact CG2-CD2 4.27Å; G685-L701 WeakPolarHBondContact O-CB 3.3Å; G685-L701 VanDerWaalsContact O-CG 3.26Å; G685-L701 WeakPolarHBondContact O-CG 3.35Å; G685-L701 PolarHBondContact O-N 3.06Å; L687-L701 HydrophobicContact CB-CD2 4.11Å; L687-L701 HydrophobicContact CB-CG 4.4Å; L687-L701 HydrophobicContact CD2-CD2 4.31Å; Q699-L701 PolarHBondContact O-N 2.8Å; L701-T703 PolarHBondContact O-N 3.15Å; L701-H704 HydrophobicContact CB-CB 4.34Å; L701-H704 CarbonylContact O-C 3.52Å; L701-H704 WeakPolarHBondContact O-CA 3.47Å; L701-H704 PolarHBondContact O-N 3.4Å; L701-Q705 PolarHBondContact O-N 2.81Å
702T85.9Confident79Confident53 Ų5359.7 Ų59.733%0.32528%0.283SS..G310 helixtrans-58.3-35.9178.163.20000111.8T671 H704 Q705T671-T702 HydrophobicContact CG2-CG2 3.63Å; T671-T702 PolarHBondContact OG1-OG1 2.82Å; T702-H704 PolarHBondContact O-N 3.38Å; T702-Q705 WeakPolarHBondContact O-CG 3.43Å; T702-Q705 PolarHBondContact O-N 2.73Å
703T88Confident77.8Confident13 Ų1367.1 Ų67.18%0.0831%0.313CS..G310 helixtrans-66.9-14.1175.453.80000114.1V580 V668 L701 F706 S754V580-T703 HydrophobicContact CB-CG2 4.37Å; V580-T703 HydrophobicContact CG2-CG2 4.41Å; V668-T703 HydrophobicContact CG1-CG2 4.07Å; L701-T703 PolarHBondContact O-N 3.15Å; T703-F706 VanDerWaalsContact O-CE1 3.25Å; T703-F706 WeakPolarHBondContact O-CE1 3.35Å; T703-S754 PolarHBondContact O-OG 2.9Å
704H90Very high76.4Confident1 Ų172 Ų721%0.00533%0.33CS..G310 helixtrans-118.112.3-178.1-67.173.6000112.7L700 L701 T702 F706 R707L700-H704 HydrophobicContact CD1-CB 4.04Å; L700-H704 WeakPolarHBondContact CD2-O 3.5Å; L700-H704 HydrophobicContact CG-CB 4.36Å; L701-H704 HydrophobicContact CB-CB 4.34Å; L701-H704 CarbonylContact O-C 3.52Å; L701-H704 WeakPolarHBondContact O-CA 3.47Å; L701-H704 PolarHBondContact O-N 3.4Å; T702-H704 PolarHBondContact O-N 3.38Å; H704-F706 HydrophobicContact CB-CE1 4.46Å; H704-F706 PolarHBondContact O-N 2.85Å; H704-R707 WeakPolarHBondContact O-CB 3.4Å; H704-R707 PolarHBondContact O-N 2.82Å
705Q86.9Confident74.3Confident75 Ų7578.2 Ų78.235%0.3536%0.362SS..THydrogen-bonded Turntrans-54.7-27.6-179.1-84.5-179.11.200114L701 T702 R707 L708 Y747L701-Q705 PolarHBondContact O-N 2.81Å; T702-Q705 WeakPolarHBondContact O-CG 3.43Å; T702-Q705 PolarHBondContact O-N 2.73Å; Q705-R707 PolarHBondContact O-N 3.07Å; Q705-R707 VanDerWaalsContact O-N 3.09Å; Q705-L708 WeakPolarHBondContact O-CB 3.44Å; Q705-L708 WeakPolarHBondContact O-CG 3.23Å; Q705-L708 PolarHBondContact O-N 3.5Å; Q705-Y747 HydrophobicContact CB-CE1 3.91Å
706F87.7Confident72.1Confident0 Ų076.9 Ų76.90%037%0.373CS..THydrogen-bonded Turntrans-54-27.717462-100.9000113.1T703 H704 L708 Y709 T710 Y747 Q750 A751 C756 D759 F763T703-F706 VanDerWaalsContact O-CE1 3.25Å; T703-F706 WeakPolarHBondContact O-CE1 3.35Å; H704-F706 HydrophobicContact CB-CE1 4.46Å; H704-F706 PolarHBondContact O-N 2.85Å; F706-L708 PolarHBondContact O-N 2.93Å; F706-Y709 PolarHBondContact O-N 2.95Å; F706-T710 PolarHBondContact O-N 3.47Å; F706-Y747 HydrophobicContact CB-CD1 3.74Å; F706-Y747 HydrophobicContact CB-CG 3.96Å; F706-Q750 HydrophobicContact CD1-CB 3.93Å; F706-Q750 HydrophobicContact CE1-CB 4.36Å; F706-A751 HydrophobicContact CD1-CB 4.07Å; F706-A751 HydrophobicContact CD2-CB 3.92Å; F706-A751 VanDerWaalsContact CE1-CA 3.49Å; F706-A751 HydrophobicContact CE1-CB 3.99Å; F706-A751 HydrophobicContact CE2-CB 3.85Å; F706-A751 HydrophobicContact CG-CB 4.04Å; F706-A751 HydrophobicContact CZ-CB 3.91Å; F706-C756 HydrophobicContact CE2-CB 3.93Å; F706-C756 HydrophobicContact CZ-CB 3.78Å; F706-D759 HydrophobicContact CD2-CB 3.88Å; F706-D759 HydrophobicContact CE2-CB 3.63Å; F706-F763 HydrophobicContact CB-CE2 3.78Å; F706-F763 HydrophobicContact CB-CZ 3.86Å; F706-F763 HydrophobicContact CD2-CE2 4.39Å; F706-F763 HydrophobicContact CG-CE2 4.45Å
707R85.9Confident69.6Low38 Ų3880.8 Ų80.814%0.14340%0.397CS..Hα-helixtrans-65.8-18.8178.5-69.7-166.8159.7165.1-3.3114.5N684 L700 H704 Q705 Y709 T710 K711 C756 D759N684-R707 PolarHBondContact O-NH1 3.47Å; L700-R707 HydrophobicContact CD1-CB 4.25Å; L700-R707 HydrophobicContact CD2-CB 4.35Å; H704-R707 WeakPolarHBondContact O-CB 3.4Å; H704-R707 PolarHBondContact O-N 2.82Å; Q705-R707 PolarHBondContact O-N 3.07Å; Q705-R707 VanDerWaalsContact O-N 3.09Å; R707-Y709 PolarHBondContact O-N 3.07Å; R707-T710 WeakPolarHBondContact CA-OG1 3.45Å; R707-T710 PolarHBondContact O-N 3.47Å; R707-K711 WeakPolarHBondContact O-CB 3.31Å; R707-K711 PolarHBondContact O-N 2.97Å; R707-C756 PolarHBondContact NH2-SG 3.46Å; R707-D759 IonicContact CZ-OD2 2.82Å; R707-D759 IonicContact NE-OD2 2.7Å; R707-D759 PolarHBondContact NE-OD2 2.89Å; R707-D759 IonicContact NH2-OD2 3.67Å; R707-D759 PolarHBondContact NH2-OD2 2.94Å
708L81.9Confident66.9Low113 Ų11385.6 Ų85.659%0.59242%0.424SS*.Hα-helixtrans-59.7-27170.4-65.6171.6000112L700 Q705 F706L700-L708 HydrophobicContact CD2-CD1 4.28Å; L700-L708 HydrophobicContact CD2-CD2 3.81Å; L700-L708 HydrophobicContact CD2-CG 3.57Å; Q705-L708 WeakPolarHBondContact O-CB 3.44Å; Q705-L708 WeakPolarHBondContact O-CG 3.23Å; Q705-L708 PolarHBondContact O-N 3.5Å; F706-L708 PolarHBondContact O-N 2.93Å
709Y81.5Confident64.1Low62 Ų6290.8 Ų90.824%0.24344%0.443CS..Hα-helixtrans-104.3-20.4-176-51.1-75.9000112.9F706 R707 L736 L739 Y747F706-Y709 PolarHBondContact O-N 2.95Å; R707-Y709 PolarHBondContact O-N 3.07Å; Y709-L736 VanDerWaalsContact O-CD1 3.28Å; Y709-L736 WeakPolarHBondContact O-CD1 3.46Å; Y709-L739 HydrophobicContact CD1-CD1 3.94Å; Y709-L739 HydrophobicContact CD1-CG 4.26Å; Y709-L739 HydrophobicContact CD2-CD1 3.89Å; Y709-L739 HydrophobicContact CE1-CD1 4.25Å; Y709-L739 HydrophobicContact CE1-CD2 3.97Å; Y709-L739 HydrophobicContact CE1-CG 4.16Å; Y709-L739 HydrophobicContact CE2-CD1 4.2Å; Y709-L739 HydrophobicContact CE2-CD2 4.05Å; Y709-L739 HydrophobicContact CG-CD1 3.75Å; Y709-Y747 HydrophobicContact CD2-CD2 4.34Å; Y709-Y747 HydrophobicContact CD2-CE2 4.12Å; Y709-Y747 HydrophobicContact CE2-CD2 4.24Å; Y709-Y747 AromaticContact CE2-CE2 3.57Å; Y709-Y747 HydrophobicContact CE2-CE2 3.57Å; Y709-Y747 AromaticContact CE2-CZ 3.78Å
710T76.7Confident61.4Low4 Ų495.6 Ų95.63%0.02546%0.462CS..Hα-helixtrans-100.7-12.8-179.2660000114.5F706 R707 R712 D759 I762 F763F706-T710 PolarHBondContact O-N 3.47Å; R707-T710 WeakPolarHBondContact CA-OG1 3.45Å; R707-T710 PolarHBondContact O-N 3.47Å; T710-R712 PolarHBondContact O-N 3.19Å; T710-R712 VanDerWaalsContact O-N 3.11Å; T710-D759 WeakPolarHBondContact CB-OD1 3.46Å; T710-D759 HydrophobicContact CG2-CB 4.2Å; T710-D759 PolarHBondContact OG1-OD1 3.33Å; T710-I762 HydrophobicContact CG2-CB 4.33Å; T710-I762 HydrophobicContact CG2-CD1 4.15Å; T710-I762 HydrophobicContact CG2-CG2 4.37Å; T710-F763 HydrophobicContact CG2-CD2 4.18Å; T710-F763 HydrophobicContact CG2-CE2 3.35Å; T710-F763 HydrophobicContact CG2-CZ 3.63Å
711K66.5Low58.6Low126 Ų126100.9 Ų100.955%0.54849%0.491SS..  trans-55.3119.1-179-124.5175.1178.6175.40110.9E686 R707 K713E686-K711 IonicContact OE1-NZ 3.9Å; E686-K711 PolarHBondContact OE1-NZ 3.35Å; E686-K711 IonicContact OE2-NZ 2.97Å; E686-K711 PolarHBondContact OE2-NZ 2.86Å; R707-K711 WeakPolarHBondContact O-CB 3.31Å; R707-K711 PolarHBondContact O-N 2.97Å; K711-K713 PolarHBondContact O-N 2.84Å
712R52.1Low55.8Low187 Ų187109.2 Ų109.271%0.70653%0.527SS*.  trans-67.3119.7173.3-67.7179.8-177.9174.51.9108T710 E714T710-R712 PolarHBondContact O-N 3.19Å; T710-R712 VanDerWaalsContact O-N 3.11Å; R712-E714 PolarHBondContact O-N 3.27Å; R712-E714 VanDerWaalsContact O-N 3.14Å
713K40.6Very low53Low181 Ų181117.8 Ų117.879%0.78755%0.553SS**  trans-66.3111.6161.6-97-176.2174.5179.50107.2K711 L715K711-K713 PolarHBondContact O-N 2.84Å; K713-L715 PolarHBondContact O-N 2.98Å
714E35.7Very low50Low183 Ų183124.4 Ų124.486%0.85559%0.588SS**  trans-62.2107.4159.2-75.2-177.1166.700106.7R712 T716R712-E714 PolarHBondContact O-N 3.27Å; R712-E714 VanDerWaalsContact O-N 3.14Å; E714-T716 PolarHBondContact O-N 3.27Å; E714-T716 VanDerWaalsContact O-N 3.11Å
715L27Very low46.9Very low136 Ų136132.3 Ų132.371%0.71263%0.63SS**  trans-64.1110.5164.1-81.5130.9000106K713 T717K713-L715 PolarHBondContact O-N 2.98Å; L715-T717 HydrophobicContact CB-CG2 4.22Å; L715-T717 PolarHBondContact O-N 2.83Å
716T25.7Very low44Very low141 Ų141134.1 Ų134.187%0.86565%0.651SS**  trans-60.292.4161.250.90000107.2E714E714-T716 PolarHBondContact O-N 3.27Å; E714-T716 VanDerWaalsContact O-N 3.11Å
717T27.8Very low41.2Very low111 Ų111140 Ų14068%0.68169%0.687SS**  trans-103.592.6168.150.60000108.1L715 E719L715-T717 HydrophobicContact CB-CG2 4.22Å; L715-T717 PolarHBondContact O-N 2.83Å; T717-E719 PolarHBondContact O-N 2.99Å; T717-E719 VanDerWaalsContact O-N 3.11Å
718D24.7Very low38.4Very low163 Ų163147.1 Ų147.187%0.87272%0.719SS**  trans-53.8101.5134.8-77.3-38.8000106.5
719E25.8Very low35.8Very low181 Ų181149.4 Ų149.485%0.84672%0.724SS**  trans174110.4141.4-95.4171.6-172.700109.4T717 D721T717-E719 PolarHBondContact O-N 2.99Å; T717-E719 VanDerWaalsContact O-N 3.11Å; E719-D721 PolarHBondContact O-N 2.91Å
720K26Very low33.2Very low205 Ų205153.5 Ų153.589%0.89175%0.75SS**  trans-61.8108.8155.6-68.1171.1177.5173.10106.4
721D25.7Very low31.4Very low139 Ų139158.4 Ų158.474%0.74377%0.772SS**  trans-170.7135.5141.7-100-21.6000115.5E719E719-D721 PolarHBondContact O-N 2.91Å
722F29.9Very low30Very low182 Ų182160 Ų16080%0.79878%0.781SS**  trans65.2113.7158.6-77.8-91000123.3N724F722-N724 PolarHBondContact O-N 3.07Å
723R26.5Very low30Very low232 Ų232153.4 Ų153.488%0.87576%0.758SS**  trans-29.8120.3148.9-66.4171.8173.5175.2-2.8113.2
724N25.1Very low30.5Very low152 Ų152149.9 Ų149.981%0.81375%0.751SS**  trans-168.5106.3138-95.2-20.3000110F722 S726F722-N724 PolarHBondContact O-N 3.07Å; N724-S726 PolarHBondContact O-N 2.95Å
725D25.8Very low31.6Very low167 Ų167142.1 Ų142.189%0.89372%0.72SS**THydrogen-bonded Turntrans-67.5107.1166.1-73-42000109.1
726S26.2Very low33.6Very low113 Ų113135.7 Ų135.779%0.7969%0.687SS**THydrogen-bonded Turntrans169.82.7155.543.60000115.2N724 K728N724-S726 PolarHBondContact O-N 2.95Å; S726-K728 PolarHBondContact O-N 3.42Å
727V27.3Very low35.7Very low123 Ų123137.7 Ų137.775%0.74568%0.683SS**  trans-91.2107.8174.9-174.40000109.5K729V727-K729 PolarHBondContact O-N 2.99Å
728K27.6Very low37.9Very low188 Ų188138.1 Ų138.182%0.81768%0.676SS**  trans-45.6103.7159.5-79179.4174.9-179.40107.4S726 N730S726-K728 PolarHBondContact O-N 3.42Å; K728-N730 VanDerWaalsContact C-N 3.3Å; K728-N730 PolarHBondContact O-N 2.84Å
729K28.3Very low40.5Very low161 Ų161131.4 Ų131.470%0.764%0.64SS**  trans-62.598.4171-80.3-175176.9-179.30106.4V727 F731V727-K729 PolarHBondContact O-N 2.99Å; K729-F731 HydrophobicContact CB-CD2 3.8Å; K729-F731 HydrophobicContact CB-CE1 4.2Å; K729-F731 HydrophobicContact CB-CE2 3.31Å; K729-F731 HydrophobicContact CB-CG 4.44Å; K729-F731 HydrophobicContact CB-CZ 3.55Å; K729-F731 HydrophobicContact CD-CE1 3.98Å; K729-F731 HydrophobicContact CD-CE2 4.04Å; K729-F731 HydrophobicContact CD-CZ 3.4Å; K729-F731 VanDerWaalsContact CD-CZ 3.4Å; K729-F731 HydrophobicContact CG-CE2 4.3Å; K729-F731 HydrophobicContact CG-CZ 4.1Å; K729-F731 WeakPolarHBondContact O-CD2 3.24Å; K729-F731 PolarHBondContact O-N 2.8Å
730N25.9Very low43.3Very low149 Ų149125.5 Ų125.580%0.79762%0.618SS**  trans-67.289.5166-79-15.3000106.5K728 E732K728-N730 VanDerWaalsContact C-N 3.3Å; K728-N730 PolarHBondContact O-N 2.84Å; N730-E732 PolarHBondContact O-N 3.37Å
731F39Very low46.3Very low107 Ų107122 Ų12247%0.46960%0.603SS.*  trans-74.2110.7171.6-66.3-79.1000107.7K729 F733K729-F731 HydrophobicContact CB-CD2 3.8Å; K729-F731 HydrophobicContact CB-CE1 4.2Å; K729-F731 HydrophobicContact CB-CE2 3.31Å; K729-F731 HydrophobicContact CB-CG 4.44Å; K729-F731 HydrophobicContact CB-CZ 3.55Å; K729-F731 HydrophobicContact CD-CE1 3.98Å; K729-F731 HydrophobicContact CD-CE2 4.04Å; K729-F731 HydrophobicContact CD-CZ 3.4Å; K729-F731 VanDerWaalsContact CD-CZ 3.4Å; K729-F731 HydrophobicContact CG-CE2 4.3Å; K729-F731 HydrophobicContact CG-CZ 4.1Å; K729-F731 WeakPolarHBondContact O-CD2 3.24Å; K729-F731 PolarHBondContact O-N 2.8Å; F731-F733 HydrophobicContact CB-CE2 4.14Å; F731-F733 HydrophobicContact CB-CZ 4.36Å; F731-F733 WeakPolarHBondContact O-CD2 3.39Å; F731-F733 PolarHBondContact O-N 3.37Å; F731-F733 VanDerWaalsContact O-N 3.14Å
732E37Very low49.3Very low159 Ų159121.6 Ų121.674%0.74360%0.597SS**  trans-75.5100.6174.7-82.6-168.714100110.3N730 T734N730-E732 PolarHBondContact O-N 3.37Å; E732-T734 VanDerWaalsContact C-N 3.28Å; E732-T734 HydrophobicContact CB-CG2 4.26Å; E732-T734 PolarHBondContact O-N 2.92Å
733F53.4Low52Low49 Ų49116 Ų11622%0.21558%0.575CS.*  trans-76.282.3166.7-58.6-86.1000109.4F731 G735 L736 I762F731-F733 HydrophobicContact CB-CE2 4.14Å; F731-F733 HydrophobicContact CB-CZ 4.36Å; F731-F733 WeakPolarHBondContact O-CD2 3.39Å; F731-F733 PolarHBondContact O-N 3.37Å; F731-F733 VanDerWaalsContact O-N 3.14Å; F733-G735 PolarHBondContact O-N 3.35Å; F733-L736 HydrophobicContact CB-CD1 3.42Å; F733-L736 VanDerWaalsContact CB-CD1 3.42Å; F733-L736 HydrophobicContact CD1-CD1 4.39Å; F733-L736 HydrophobicContact CG-CD1 3.96Å; F733-L736 PolarHBondContact O-N 3.25Å; F733-I762 HydrophobicContact CD1-CG2 4.45Å; F733-I762 HydrophobicContact CD2-CG2 4.32Å; F733-I762 HydrophobicContact CE1-CD1 3.77Å; F733-I762 HydrophobicContact CE1-CG1 4.49Å; F733-I762 HydrophobicContact CE1-CG2 4.39Å; F733-I762 HydrophobicContact CE2-CG2 4.27Å; F733-I762 HydrophobicContact CG-CG2 4.42Å; F733-I762 HydrophobicContact CZ-CD1 3.82Å; F733-I762 HydrophobicContact CZ-CG1 4.15Å; F733-I762 HydrophobicContact CZ-CG2 4.3Å
734T49.3Very low55Low107 Ų107106.1 Ų106.166%0.65654%0.539SS*.THydrogen-bonded Turntrans-59.8-15.1-169.3530000115.5E732E732-T734 VanDerWaalsContact C-N 3.28Å; E732-T734 HydrophobicContact CB-CG2 4.26Å; E732-T734 PolarHBondContact O-N 2.92Å
735G60.1Low58.2Low20 Ų20100.3 Ų100.321%0.20651%0.509CS..THydrogen-bonded Turntrans-92.1-28.2-179.700000116.1F733 K737 K738F733-G735 PolarHBondContact O-N 3.35Å; G735-K737 VanDerWaalsContact C-N 3.32Å; G735-K737 PolarHBondContact O-N 2.79Å; G735-K738 PolarHBondContact O-N 3.1Å
736L68.9Low61.3Low1 Ų194.3 Ų94.31%0.00548%0.478CS..G310 helixtrans-65.2-32.4-170-91.9121.4000113.5Y709 F733 K738 L739 I762 F763 H766Y709-L736 VanDerWaalsContact O-CD1 3.28Å; Y709-L736 WeakPolarHBondContact O-CD1 3.46Å; F733-L736 HydrophobicContact CB-CD1 3.42Å; F733-L736 VanDerWaalsContact CB-CD1 3.42Å; F733-L736 HydrophobicContact CD1-CD1 4.39Å; F733-L736 HydrophobicContact CG-CD1 3.96Å; F733-L736 PolarHBondContact O-N 3.25Å; L736-K738 PolarHBondContact O-N 2.8Å; L736-K738 VanDerWaalsContact O-N 3.14Å; L736-L739 PolarHBondContact O-N 3.35Å; L736-I762 HydrophobicContact CD1-CG2 3.75Å; L736-I762 HydrophobicContact CD2-CG2 4.44Å; L736-F763 HydrophobicContact CD2-CD1 3.52Å; L736-F763 HydrophobicContact CD2-CE1 3.59Å; L736-F763 HydrophobicContact CD2-CG 4.42Å; L736-F763 HydrophobicContact CG-CE1 4.3Å; L736-H766 HydrophobicContact CD2-CB 4.46Å
737K70.1Confident64.4Low182 Ų18290.3 Ų90.379%0.79145%0.446SS*.G310 helixtrans-65.5-15.6180-68.2-176.8-179.7174.30113.9G735G735-K737 VanDerWaalsContact C-N 3.32Å; G735-K737 PolarHBondContact O-N 2.79Å
738K73.6Confident67.6Low121 Ų12184.5 Ų84.553%0.52641%0.411SS..G310 helixtrans-88.2-12.5-179.2-60.1-165.9-180-145.60113.5G735 L736 D1481G735-K738 PolarHBondContact O-N 3.1Å; L736-K738 PolarHBondContact O-N 2.8Å; L736-K738 VanDerWaalsContact O-N 3.14Å; K738-D1481 IonicContact NZ-OD1 3.86Å; K738-D1481 PolarHBondContact NZ-OD1 3.08Å; K738-D1481 IonicContact NZ-OD2 2.7Å
739L78.7Confident70.7Confident22 Ų2279.6 Ų79.612%0.11539%0.391CS..SBendtrans-82.5143.8-177.2-68.4170.7000111.1Y709 L736 D743 M744 Y747 F763Y709-L739 HydrophobicContact CD1-CD1 3.94Å; Y709-L739 HydrophobicContact CD1-CG 4.26Å; Y709-L739 HydrophobicContact CD2-CD1 3.89Å; Y709-L739 HydrophobicContact CE1-CD1 4.25Å; Y709-L739 HydrophobicContact CE1-CD2 3.97Å; Y709-L739 HydrophobicContact CE1-CG 4.16Å; Y709-L739 HydrophobicContact CE2-CD1 4.2Å; Y709-L739 HydrophobicContact CE2-CD2 4.05Å; Y709-L739 HydrophobicContact CG-CD1 3.75Å; L736-L739 PolarHBondContact O-N 3.35Å; L739-D743 HydrophobicContact CB-CB 4.38Å; L739-D743 HydrophobicContact CD2-CB 4.07Å; L739-M744 HydrophobicContact CB-CE 4.15Å; L739-M744 HydrophobicContact CB-CG 3.71Å; L739-M744 HydrophobicContact CD1-CG 4.16Å; L739-M744 WeakPolarHBondContact O-CE 3.17Å; L739-Y747 HydrophobicContact CD1-CD2 3.99Å; L739-Y747 HydrophobicContact CD1-CE2 4.25Å; L739-Y747 HydrophobicContact CD2-CD2 4.23Å; L739-Y747 HydrophobicContact CD2-CE2 3.72Å; L739-F763 HydrophobicContact CD1-CE1 4.21Å
740S86.2Confident73.7Confident56 Ų5674.9 Ų74.939%0.39237%0.372SS..  trans-70.2160.6168.7780000110.4H742 D743 M744S740-H742 PolarHBondContact O-N 3.1Å; S740-D743 VanDerWaalsContact CB-OD2 3.31Å; S740-D743 WeakPolarHBondContact CB-OD2 3.45Å; S740-D743 PolarHBondContact N-OD2 3.1Å; S740-D743 PolarHBondContact O-N 2.88Å; S740-D743 PolarHBondContact OG-N 3.26Å; S740-D743 VanDerWaalsContact OG-N 3.14Å; S740-D743 PolarHBondContact OG-OD2 3.34Å; S740-M744 PolarHBondContact O-N 3.34Å
741F87.3Confident76.8Confident131 Ų13167.8 Ų67.858%0.57533%0.334SS*.Hα-helixtrans-56.6-39.5175-178.1-89.8000111.6M744 V745 L767F741-M744 PolarHBondContact O-N 3.07Å; F741-V745 HydrophobicContact CD1-CG2 4.2Å; F741-V745 HydrophobicContact CE1-CG2 3.82Å; F741-V745 HydrophobicContact CZ-CG2 4.2Å; F741-V745 WeakPolarHBondContact O-CG2 3.49Å; F741-V745 PolarHBondContact O-N 3.49Å; F741-V745 VanDerWaalsContact O-N 3.09Å; F741-L767 HydrophobicContact CD2-CD2 3.6Å; F741-L767 HydrophobicContact CE2-CD2 3.49Å; F741-L767 VanDerWaalsContact CE2-CD2 3.49Å; F741-L767 HydrophobicContact CG-CD2 4.25Å; F741-L767 HydrophobicContact CZ-CD2 4.07Å
742H88.4Confident79.3Confident131 Ų13163.8 Ų63.861%0.60632%0.317SS*.Hα-helixtrans-64.3-46.8177.5-17365.7000111.4S740 M744 V745 T746S740-H742 PolarHBondContact O-N 3.1Å; H742-M744 VanDerWaalsContact C-N 3.32Å; H742-M744 PolarHBondContact O-N 3.15Å; H742-V745 PolarHBondContact O-N 3.03Å; H742-V745 VanDerWaalsContact O-N 3.14Å; H742-T746 WeakPolarHBondContact O-CG2 3.35Å; H742-T746 PolarHBondContact O-N 3.39Å
743D88Confident81.7Confident64 Ų6462.5 Ų62.534%0.34231%0.309SS..Hα-helixtrans-61.6-41.7179-55.5-40000111.2L739 S740 V745 T746 Y747L739-D743 HydrophobicContact CB-CB 4.38Å; L739-D743 HydrophobicContact CD2-CB 4.07Å; S740-D743 VanDerWaalsContact CB-OD2 3.31Å; S740-D743 WeakPolarHBondContact CB-OD2 3.45Å; S740-D743 PolarHBondContact N-OD2 3.1Å; S740-D743 PolarHBondContact O-N 2.88Å; S740-D743 PolarHBondContact OG-N 3.26Å; S740-D743 VanDerWaalsContact OG-N 3.14Å; S740-D743 PolarHBondContact OG-OD2 3.34Å; D743-V745 VanDerWaalsContact C-N 3.34Å; D743-V745 PolarHBondContact O-N 3.23Å; D743-T746 WeakPolarHBondContact CA-OG1 3.24Å; D743-T746 PolarHBondContact O-N 3.5Å; D743-T746 PolarHBondContact O-OG1 3.31Å; D743-Y747 HydrophobicContact CB-CD2 4.46Å; D743-Y747 HydrophobicContact CB-CE2 4.33Å; D743-Y747 WeakPolarHBondContact O-CD2 3.27Å; D743-Y747 PolarHBondContact O-N 3.01Å
744M88.9Confident83.3Confident26 Ų2660.1 Ų60.113%0.12830%0.299CS..Hα-helixtrans-60.6-41175.3-75.3-171.4-119.900112.5L739 S740 F741 H742 Y747 F748 F763 H766 L767L739-M744 HydrophobicContact CB-CE 4.15Å; L739-M744 HydrophobicContact CB-CG 3.71Å; L739-M744 HydrophobicContact CD1-CG 4.16Å; L739-M744 WeakPolarHBondContact O-CE 3.17Å; S740-M744 PolarHBondContact O-N 3.34Å; F741-M744 PolarHBondContact O-N 3.07Å; H742-M744 VanDerWaalsContact C-N 3.32Å; H742-M744 PolarHBondContact O-N 3.15Å; M744-Y747 PolarHBondContact O-N 2.82Å; M744-F748 WeakPolarHBondContact O-CB 3.41Å; M744-F748 PolarHBondContact O-N 2.87Å; M744-F763 HydrophobicContact CB-CD1 4.5Å; M744-F763 HydrophobicContact CG-CD1 4.46Å; M744-H766 HydrophobicContact SD-CB 4.28Å; M744-L767 HydrophobicContact CB-CD1 4.25Å; M744-L767 HydrophobicContact CB-CD2 3.67Å; M744-L767 HydrophobicContact CB-CG 4.11Å; M744-L767 HydrophobicContact SD-CD2 4.4Å
745V92Very high85.1Confident30 Ų3055.2 Ų55.218%0.18227%0.269CS..Hα-helixtrans-64.1-43.6174.4173.90000110.6F741 H742 D743 Y747 F748 E749 L767 I772F741-V745 HydrophobicContact CD1-CG2 4.2Å; F741-V745 HydrophobicContact CE1-CG2 3.82Å; F741-V745 HydrophobicContact CZ-CG2 4.2Å; F741-V745 WeakPolarHBondContact O-CG2 3.49Å; F741-V745 PolarHBondContact O-N 3.49Å; F741-V745 VanDerWaalsContact O-N 3.09Å; H742-V745 PolarHBondContact O-N 3.03Å; H742-V745 VanDerWaalsContact O-N 3.14Å; D743-V745 VanDerWaalsContact C-N 3.34Å; D743-V745 PolarHBondContact O-N 3.23Å; V745-Y747 PolarHBondContact O-N 3.16Å; V745-F748 WeakPolarHBondContact O-CB 3.47Å; V745-F748 PolarHBondContact O-N 3.36Å; V745-E749 WeakPolarHBondContact O-CG 3.35Å; V745-E749 PolarHBondContact O-N 3.13Å; V745-L767 HydrophobicContact CG2-CD1 4.04Å; V745-L767 HydrophobicContact CG2-CD2 3.93Å; V745-I772 HydrophobicContact CG2-CD1 4.27Å
746T91.4Very high86.6Confident40 Ų4054.3 Ų54.325%0.24526%0.26CS..Hα-helixtrans-62.5-41.6177.863.40000112.3H742 D743 E749 Q750H742-T746 WeakPolarHBondContact O-CG2 3.35Å; H742-T746 PolarHBondContact O-N 3.39Å; D743-T746 WeakPolarHBondContact CA-OG1 3.24Å; D743-T746 PolarHBondContact O-N 3.5Å; D743-T746 PolarHBondContact O-OG1 3.31Å; T746-E749 PolarHBondContact O-N 2.89Å; T746-Q750 WeakPolarHBondContact O-CG 3.49Å; T746-Q750 PolarHBondContact O-N 3.4Å
747Y92.3Very high87.6Confident30 Ų3054.7 Ų54.712%0.11826%0.261CS..Hα-helixtrans-70.7-33.8176.8-73.2-47.2000112.7Q705 F706 Y709 L739 D743 M744 V745 Q750 A751Q705-Y747 HydrophobicContact CB-CE1 3.91Å; F706-Y747 HydrophobicContact CB-CD1 3.74Å; F706-Y747 HydrophobicContact CB-CG 3.96Å; Y709-Y747 HydrophobicContact CD2-CD2 4.34Å; Y709-Y747 HydrophobicContact CD2-CE2 4.12Å; Y709-Y747 HydrophobicContact CE2-CD2 4.24Å; Y709-Y747 AromaticContact CE2-CE2 3.57Å; Y709-Y747 HydrophobicContact CE2-CE2 3.57Å; Y709-Y747 AromaticContact CE2-CZ 3.78Å; L739-Y747 HydrophobicContact CD1-CD2 3.99Å; L739-Y747 HydrophobicContact CD1-CE2 4.25Å; L739-Y747 HydrophobicContact CD2-CD2 4.23Å; L739-Y747 HydrophobicContact CD2-CE2 3.72Å; D743-Y747 HydrophobicContact CB-CD2 4.46Å; D743-Y747 HydrophobicContact CB-CE2 4.33Å; D743-Y747 WeakPolarHBondContact O-CD2 3.27Å; D743-Y747 PolarHBondContact O-N 3.01Å; M744-Y747 PolarHBondContact O-N 2.82Å; V745-Y747 PolarHBondContact O-N 3.16Å; Y747-Q750 PolarHBondContact O-N 3.21Å; Y747-A751 WeakPolarHBondContact O-CB 3.5Å; Y747-A751 PolarHBondContact O-N 2.93Å
748F94Very high88.5Confident1 Ų150.6 Ų50.60%0.00425%0.245CC..Hα-helixtrans-60-48.9169.2167.8-96.7000111.3M744 V745 Q750 A751 L752 A760 F763 A764 L767 I772 L776M744-F748 WeakPolarHBondContact O-CB 3.41Å; M744-F748 PolarHBondContact O-N 2.87Å; V745-F748 WeakPolarHBondContact O-CB 3.47Å; V745-F748 PolarHBondContact O-N 3.36Å; F748-Q750 VanDerWaalsContact C-N 3.34Å; F748-Q750 PolarHBondContact O-N 2.94Å; F748-A751 PolarHBondContact O-N 3.39Å; F748-L752 HydrophobicContact CE1-CD1 4Å; F748-L752 HydrophobicContact CE2-CD1 4.31Å; F748-L752 HydrophobicContact CZ-CD1 3.61Å; F748-L752 WeakPolarHBondContact O-CB 3.44Å; F748-L752 PolarHBondContact O-N 3.45Å; F748-A760 HydrophobicContact CD2-CB 3.99Å; F748-A760 WeakPolarHBondContact CD2-O 3.06Å; F748-A760 HydrophobicContact CE2-CB 4.02Å; F748-F763 HydrophobicContact CB-CB 3.94Å; F748-F763 HydrophobicContact CD2-CB 4.34Å; F748-A764 HydrophobicContact CD2-CB 4.48Å; F748-A764 HydrophobicContact CE2-CB 4.23Å; F748-L767 HydrophobicContact CB-CD1 4.2Å; F748-I772 HydrophobicContact CD1-CG2 3.98Å; F748-I772 HydrophobicContact CD2-CG2 3.86Å; F748-I772 HydrophobicContact CE1-CG2 3.68Å; F748-I772 HydrophobicContact CE2-CG2 3.54Å; F748-I772 HydrophobicContact CG-CG2 4.07Å; F748-I772 HydrophobicContact CZ-CB 4.48Å; F748-I772 HydrophobicContact CZ-CG2 3.45Å; F748-I772 VanDerWaalsContact CZ-CG2 3.45Å; F748-L776 HydrophobicContact CE2-CB 4.06Å; F748-L776 HydrophobicContact CE2-CD1 4.42Å; F748-L776 HydrophobicContact CE2-CD2 4.41Å; F748-L776 HydrophobicContact CZ-CB 4.05Å
749E92.2Very high89.3Confident84 Ų8445.9 Ų45.939%0.39323%0.225SC..Hα-helixtrans-63.7-39.3178.3-72.9-177177.600112.2V745 T746 L752 K753V745-E749 WeakPolarHBondContact O-CG 3.35Å; V745-E749 PolarHBondContact O-N 3.13Å; T746-E749 PolarHBondContact O-N 2.89Å; E749-L752 PolarHBondContact O-N 3.16Å; E749-K753 WeakPolarHBondContact O-CB 3.3Å; E749-K753 WeakPolarHBondContact O-CG 3.42Å; E749-K753 PolarHBondContact O-N 3.09Å
750Q90.9Very high89.9Confident63 Ų6344.9 Ų44.929%0.29422%0.22SC..Hα-helixtrans-62.8-48.4173.7-75.1178.72.400111.4F706 T746 Y747 F748 L752 K753 S754F706-Q750 HydrophobicContact CD1-CB 3.93Å; F706-Q750 HydrophobicContact CE1-CB 4.36Å; T746-Q750 WeakPolarHBondContact O-CG 3.49Å; T746-Q750 PolarHBondContact O-N 3.4Å; Y747-Q750 PolarHBondContact O-N 3.21Å; F748-Q750 VanDerWaalsContact C-N 3.34Å; F748-Q750 PolarHBondContact O-N 2.94Å; Q750-L752 VanDerWaalsContact C-N 3.26Å; Q750-L752 PolarHBondContact O-N 2.81Å; Q750-K753 PolarHBondContact O-N 3.3Å; Q750-S754 WeakPolarHBondContact O-CB 3.49Å; Q750-S754 PolarHBondContact O-N 3.24Å; Q750-S754 PolarHBondContact O-OG 3.04Å
751A91.8Very high90.2Very high0 Ų043.7 Ų43.70%021%0.208CC..Hα-helixtrans-59.6-39.4177.800000111.9F706 Y747 F748 S754 G755 C756 D759 A760F706-A751 HydrophobicContact CD1-CB 4.07Å; F706-A751 HydrophobicContact CD2-CB 3.92Å; F706-A751 VanDerWaalsContact CE1-CA 3.49Å; F706-A751 HydrophobicContact CE1-CB 3.99Å; F706-A751 HydrophobicContact CE2-CB 3.85Å; F706-A751 HydrophobicContact CG-CB 4.04Å; F706-A751 HydrophobicContact CZ-CB 3.91Å; Y747-A751 WeakPolarHBondContact O-CB 3.5Å; Y747-A751 PolarHBondContact O-N 2.93Å; F748-A751 PolarHBondContact O-N 3.39Å; A751-S754 PolarHBondContact O-N 3.4Å; A751-G755 PolarHBondContact O-N 2.74Å; A751-C756 PolarHBondContact O-N 3.21Å; A751-D759 HydrophobicContact CB-CB 4.33Å; A751-A760 HydrophobicContact CB-CB 3.9Å
752L91.2Very high90.3Very high23 Ų2338.5 Ų38.512%0.1219%0.186CC..Hα-helixtrans-67.8-43.5177.5-168.6143.8000112F748 E749 Q750 G755 Q775 L776 S779F748-L752 HydrophobicContact CE1-CD1 4Å; F748-L752 HydrophobicContact CE2-CD1 4.31Å; F748-L752 HydrophobicContact CZ-CD1 3.61Å; F748-L752 WeakPolarHBondContact O-CB 3.44Å; F748-L752 PolarHBondContact O-N 3.45Å; E749-L752 PolarHBondContact O-N 3.16Å; Q750-L752 VanDerWaalsContact C-N 3.26Å; Q750-L752 PolarHBondContact O-N 2.81Å; L752-G755 PolarHBondContact O-N 2.91Å; L752-Q775 HydrophobicContact CD1-CG 4.1Å; L752-L776 HydrophobicContact CD1-CD1 4.19Å; L752-S779 WeakPolarHBondContact CD2-OG 3.44Å
753K87.6Confident90.4Very high131 Ų13132.2 Ų32.257%0.5716%0.157SC*.Hα-helixtrans-64.7-38.7173.7-76.3179.2-178.6176.30112.8E749 Q750 G755E749-K753 WeakPolarHBondContact O-CB 3.3Å; E749-K753 WeakPolarHBondContact O-CG 3.42Å; E749-K753 PolarHBondContact O-N 3.09Å; Q750-K753 PolarHBondContact O-N 3.3Å; K753-G755 PolarHBondContact O-N 3.43Å
754S87.4Confident90.5Very high0 Ų029.2 Ų29.20%014%0.141CC..THydrogen-bonded Turntrans-73-4.4176.4-59.20000113.2R582 V668 T703 Q750 A751 C756R582-S754 WeakPolarHBondContact CD-O 3.35Å; R582-S754 PolarHBondContact NE-O 3.13Å; R582-S754 VanDerWaalsContact NE-O 3.17Å; V668-S754 WeakPolarHBondContact CG1-OG 3.26Å; T703-S754 PolarHBondContact O-OG 2.9Å; Q750-S754 WeakPolarHBondContact O-CB 3.49Å; Q750-S754 PolarHBondContact O-N 3.24Å; Q750-S754 PolarHBondContact O-OG 3.04Å; A751-S754 PolarHBondContact O-N 3.4Å; S754-C756 PolarHBondContact O-N 2.81Å
755G87.4Confident90.6Very high3 Ų332.3 Ų32.33%0.03116%0.158CC..THydrogen-bonded Turntrans67.622.4-177.700000114.4R582 A751 L752 K753 F757R582-G755 PolarHBondContact NH2-O 3.29Å; A751-G755 PolarHBondContact O-N 2.74Å; L752-G755 PolarHBondContact O-N 2.91Å; K753-G755 PolarHBondContact O-N 3.43Å; G755-F757 WeakPolarHBondContact O-CD2 3.29Å; G755-F757 PolarHBondContact O-N 3.45Å
756C90Very high90.3Very high2 Ų235.2 Ų35.21%0.01417%0.17CC..  trans-95.369.2178-64.50000109.3F706 R707 A751 S754 E758 D759 A760F706-C756 HydrophobicContact CE2-CB 3.93Å; F706-C756 HydrophobicContact CZ-CB 3.78Å; R707-C756 PolarHBondContact NH2-SG 3.46Å; A751-C756 PolarHBondContact O-N 3.21Å; S754-C756 PolarHBondContact O-N 2.81Å; C756-E758 VanDerWaalsContact C-N 3.34Å; C756-E758 PolarHBondContact O-N 3.38Å; C756-D759 HydrophobicContact CB-CB 4.14Å; C756-D759 WeakPolarHBondContact O-CB 3.28Å; C756-D759 PolarHBondContact O-N 2.94Å; C756-A760 PolarHBondContact O-N 3.36Å
757F90.9Very high90.2Very high9 Ų934 Ų344%0.03916%0.162CC..Hα-helixtrans-68.6-29.8-167.3-54.2-71.1000113.7F584 G755 A760 E761 L776 V783 L788F584-F757 AromaticContact CE1-CE2 3.91Å; F584-F757 HydrophobicContact CE1-CE2 3.91Å; F584-F757 AromaticContact CE1-CZ 3.87Å; F584-F757 HydrophobicContact CE1-CZ 3.87Å; F584-F757 HydrophobicContact CZ-CZ 4.21Å; G755-F757 WeakPolarHBondContact O-CD2 3.29Å; G755-F757 PolarHBondContact O-N 3.45Å; F757-A760 PolarHBondContact O-N 2.88Å; F757-E761 PolarHBondContact O-N 3.32Å; F757-L776 HydrophobicContact CB-CD1 4.32Å; F757-L776 HydrophobicContact CD1-CD1 4.09Å; F757-V783 HydrophobicContact CD2-CG2 4.49Å; F757-V783 HydrophobicContact CE2-CB 4.5Å; F757-V783 HydrophobicContact CE2-CG1 4.48Å; F757-V783 HydrophobicContact CE2-CG2 3.58Å; F757-V783 HydrophobicContact CZ-CB 4.43Å; F757-V783 HydrophobicContact CZ-CG1 4.04Å; F757-V783 HydrophobicContact CZ-CG2 3.62Å; F757-L788 HydrophobicContact CB-CD2 3.2Å; F757-L788 HydrophobicContact CG-CD2 4.31Å
758E89.1Confident89.8Confident96 Ų9639.3 Ų39.345%0.44919%0.192SC..Hα-helixtrans-67.2-37.6174.1-64.474.6-165.400111.7C756 E761 I762C756-E758 VanDerWaalsContact C-N 3.34Å; C756-E758 PolarHBondContact O-N 3.38Å; E758-E761 WeakPolarHBondContact O-CB 3.36Å; E758-E761 PolarHBondContact O-N 3.1Å; E758-I762 PolarHBondContact O-N 3.41Å
759D89.2Confident89.6Confident22 Ų2240.8 Ų40.812%0.11820%0.202CC..Hα-helixtrans-66.9-42173.7-70.1-53.1000109.9F706 R707 T710 A751 C756 E761 I762 F763F706-D759 HydrophobicContact CD2-CB 3.88Å; F706-D759 HydrophobicContact CE2-CB 3.63Å; R707-D759 IonicContact CZ-OD2 2.82Å; R707-D759 IonicContact NE-OD2 2.7Å; R707-D759 PolarHBondContact NE-OD2 2.89Å; R707-D759 IonicContact NH2-OD2 3.67Å; R707-D759 PolarHBondContact NH2-OD2 2.94Å; T710-D759 WeakPolarHBondContact CB-OD1 3.46Å; T710-D759 HydrophobicContact CG2-CB 4.2Å; T710-D759 PolarHBondContact OG1-OD1 3.33Å; A751-D759 HydrophobicContact CB-CB 4.33Å; C756-D759 HydrophobicContact CB-CB 4.14Å; C756-D759 WeakPolarHBondContact O-CB 3.28Å; C756-D759 PolarHBondContact O-N 2.94Å; D759-E761 VanDerWaalsContact C-N 3.33Å; D759-E761 PolarHBondContact O-N 3.47Å; D759-I762 WeakPolarHBondContact O-CB 3.4Å; D759-I762 PolarHBondContact O-N 3.05Å; D759-F763 WeakPolarHBondContact O-CD2 3.43Å; D759-F763 PolarHBondContact O-N 3.03Å
760A92.1Very high89.5Confident0 Ų043.3 Ų43.30%021%0.214CC..Hα-helixtrans-63.1-35.3175.200000112.9F748 A751 C756 F757 I762 F763 A764 L776F748-A760 HydrophobicContact CD2-CB 3.99Å; F748-A760 WeakPolarHBondContact CD2-O 3.06Å; F748-A760 HydrophobicContact CE2-CB 4.02Å; A751-A760 HydrophobicContact CB-CB 3.9Å; C756-A760 PolarHBondContact O-N 3.36Å; F757-A760 PolarHBondContact O-N 2.88Å; A760-I762 VanDerWaalsContact C-N 3.29Å; A760-I762 PolarHBondContact O-N 3.28Å; A760-F763 PolarHBondContact O-N 2.86Å; A760-A764 WeakPolarHBondContact O-CB 3.2Å; A760-A764 PolarHBondContact O-N 3.34Å; A760-L776 HydrophobicContact CB-CD1 3.69Å; A760-L776 HydrophobicContact CB-CD2 4.45Å
761E91.9Very high89.6Confident32 Ų3247.9 Ų47.915%0.1524%0.236CC..Hα-helixtrans-59.8-38.6173.9-172.4-175.7-167.200111.5F757 E758 D759 A764 N765 W773 L776 L788 R791F757-E761 PolarHBondContact O-N 3.32Å; E758-E761 WeakPolarHBondContact O-CB 3.36Å; E758-E761 PolarHBondContact O-N 3.1Å; D759-E761 VanDerWaalsContact C-N 3.33Å; D759-E761 PolarHBondContact O-N 3.47Å; E761-A764 PolarHBondContact O-N 2.92Å; E761-N765 PolarHBondContact O-N 3.39Å; E761-N765 PolarHBondContact O-ND2 3.49Å; E761-W773 HydrophobicContact CG-CH2 3.73Å; E761-W773 HydrophobicContact CG-CZ3 3.95Å; E761-L776 HydrophobicContact CB-CD2 4.16Å; E761-L788 HydrophobicContact CB-CD1 4.4Å; E761-L788 HydrophobicContact CG-CD1 4.3Å; E761-L788 WeakPolarHBondContact OE2-CD1 3.22Å; E761-R791 IonicContact OE1-CZ 2.86Å; E761-R791 IonicContact OE1-NH1 3.78Å; E761-R791 PolarHBondContact OE1-NH1 3.22Å; E761-R791 IonicContact OE2-CZ 3.64Å; E761-R791 IonicContact OE2-NH1 2.86Å; E761-R791 PolarHBondContact OE2-NH1 2.94Å; E761-R791 IonicContact OE2-NH2 2.76Å
762I89.8Confident89.6Confident21 Ų2148.6 Ų48.611%0.10824%0.239CC..Hα-helixtrans-62.9-44.6177.5-63.3164.7000110.2T710 F733 L736 E758 D759 A760 H766T710-I762 HydrophobicContact CG2-CB 4.33Å; T710-I762 HydrophobicContact CG2-CD1 4.15Å; T710-I762 HydrophobicContact CG2-CG2 4.37Å; F733-I762 HydrophobicContact CD1-CG2 4.45Å; F733-I762 HydrophobicContact CD2-CG2 4.32Å; F733-I762 HydrophobicContact CE1-CD1 3.77Å; F733-I762 HydrophobicContact CE1-CG1 4.49Å; F733-I762 HydrophobicContact CE1-CG2 4.39Å; F733-I762 HydrophobicContact CE2-CG2 4.27Å; F733-I762 HydrophobicContact CG-CG2 4.42Å; F733-I762 HydrophobicContact CZ-CD1 3.82Å; F733-I762 HydrophobicContact CZ-CG1 4.15Å; F733-I762 HydrophobicContact CZ-CG2 4.3Å; L736-I762 HydrophobicContact CD1-CG2 3.75Å; L736-I762 HydrophobicContact CD2-CG2 4.44Å; E758-I762 PolarHBondContact O-N 3.41Å; D759-I762 WeakPolarHBondContact O-CB 3.4Å; D759-I762 PolarHBondContact O-N 3.05Å; A760-I762 VanDerWaalsContact C-N 3.29Å; A760-I762 PolarHBondContact O-N 3.28Å; I762-H766 PolarHBondContact O-ND1 3.1Å
763F90.7Very high89.7Confident0 Ų048 Ų480%024%0.235CC..Hα-helixtrans-67.6-42176.2-66.8-74.7000112.3F706 T710 L736 L739 M744 F748 D759 A760 N765 H766 L767F706-F763 HydrophobicContact CB-CE2 3.78Å; F706-F763 HydrophobicContact CB-CZ 3.86Å; F706-F763 HydrophobicContact CD2-CE2 4.39Å; F706-F763 HydrophobicContact CG-CE2 4.45Å; T710-F763 HydrophobicContact CG2-CD2 4.18Å; T710-F763 HydrophobicContact CG2-CE2 3.35Å; T710-F763 HydrophobicContact CG2-CZ 3.63Å; L736-F763 HydrophobicContact CD2-CD1 3.52Å; L736-F763 HydrophobicContact CD2-CE1 3.59Å; L736-F763 HydrophobicContact CD2-CG 4.42Å; L736-F763 HydrophobicContact CG-CE1 4.3Å; L739-F763 HydrophobicContact CD1-CE1 4.21Å; M744-F763 HydrophobicContact CB-CD1 4.5Å; M744-F763 HydrophobicContact CG-CD1 4.46Å; F748-F763 HydrophobicContact CB-CB 3.94Å; F748-F763 HydrophobicContact CD2-CB 4.34Å; D759-F763 WeakPolarHBondContact O-CD2 3.43Å; D759-F763 PolarHBondContact O-N 3.03Å; A760-F763 PolarHBondContact O-N 2.86Å; F763-N765 VanDerWaalsContact C-N 3.28Å; F763-N765 PolarHBondContact O-N 3.34Å; F763-H766 PolarHBondContact O-N 2.95Å; F763-L767 HydrophobicContact CB-CD1 4.49Å; F763-L767 WeakPolarHBondContact O-CG 3.39Å; F763-L767 PolarHBondContact O-N 3.02Å
764A91Very high90Very high0 Ų047.6 Ų47.60%023%0.23CC..Hα-helixtrans-59.5-38.2178.200000112.4F748 A760 E761 H766 L767 D768 I772 W773 L776F748-A764 HydrophobicContact CD2-CB 4.48Å; F748-A764 HydrophobicContact CE2-CB 4.23Å; A760-A764 WeakPolarHBondContact O-CB 3.2Å; A760-A764 PolarHBondContact O-N 3.34Å; E761-A764 PolarHBondContact O-N 2.92Å; A764-H766 VanDerWaalsContact C-N 3.28Å; A764-H766 PolarHBondContact O-N 2.9Å; A764-L767 PolarHBondContact O-N 3.19Å; A764-D768 PolarHBondContact O-N 3.15Å; A764-I772 HydrophobicContact CB-CG2 3.96Å; A764-W773 HydrophobicContact CB-CD2 3.86Å; A764-W773 HydrophobicContact CB-CE3 4.08Å; A764-W773 HydrophobicContact CB-CG 4.47Å; A764-W773 HydrophobicContact CB-CH2 4.1Å; A764-W773 HydrophobicContact CB-CZ2 3.86Å; A764-W773 HydrophobicContact CB-CZ3 4.2Å; A764-W773 PolarHBondContact O-NE1 2.87Å; A764-L776 HydrophobicContact CB-CD2 4.23Å
765N89Confident90.2Very high92 Ų9251.5 Ų51.549%0.49225%0.249SC..Hα-helixtrans-61.1-32.8173.7-80.8-57.4000113.4E761 F763 W773E761-N765 PolarHBondContact O-N 3.39Å; E761-N765 PolarHBondContact O-ND2 3.49Å; F763-N765 VanDerWaalsContact C-N 3.28Å; F763-N765 PolarHBondContact O-N 3.34Å; N765-W773 HydrophobicContact CB-CZ2 4.25Å; N765-W773 VanDerWaalsContact OD1-CZ2 3.23Å; N765-W773 WeakPolarHBondContact OD1-CZ2 3.5Å
766H87.1Confident90.5Very high91 Ų9151.4 Ų51.442%0.42125%0.247SC..Hα-helixtrans-88.7-29.8-178.8-69.982.2000113L736 M744 I762 F763 A764L736-H766 HydrophobicContact CD2-CB 4.46Å; M744-H766 HydrophobicContact SD-CB 4.28Å; I762-H766 PolarHBondContact O-ND1 3.1Å; F763-H766 PolarHBondContact O-N 2.95Å; A764-H766 VanDerWaalsContact C-N 3.28Å; A764-H766 PolarHBondContact O-N 2.9Å
767L88.5Confident90.7Very high14 Ų1451.3 Ų51.37%0.07325%0.247CC..Hα-helixtrans-77.5-21.2178.9-71.6167.2000113.3F741 M744 V745 F748 F763 A764 S769 I772F741-L767 HydrophobicContact CD2-CD2 3.6Å; F741-L767 HydrophobicContact CE2-CD2 3.49Å; F741-L767 VanDerWaalsContact CE2-CD2 3.49Å; F741-L767 HydrophobicContact CG-CD2 4.25Å; F741-L767 HydrophobicContact CZ-CD2 4.07Å; M744-L767 HydrophobicContact CB-CD1 4.25Å; M744-L767 HydrophobicContact CB-CD2 3.67Å; M744-L767 HydrophobicContact CB-CG 4.11Å; M744-L767 HydrophobicContact SD-CD2 4.4Å; V745-L767 HydrophobicContact CG2-CD1 4.04Å; V745-L767 HydrophobicContact CG2-CD2 3.93Å; F748-L767 HydrophobicContact CB-CD1 4.2Å; F763-L767 HydrophobicContact CB-CD1 4.49Å; F763-L767 WeakPolarHBondContact O-CG 3.39Å; F763-L767 PolarHBondContact O-N 3.02Å; A764-L767 PolarHBondContact O-N 3.19Å; L767-S769 VanDerWaalsContact C-N 3.25Å; L767-S769 PolarHBondContact O-N 3.16Å; L767-S769 VanDerWaalsContact O-N 3.14Å; L767-I772 HydrophobicContact CB-CD1 3.87Å; L767-I772 HydrophobicContact CD1-CD1 3.61Å; L767-I772 HydrophobicContact CD1-CG2 4.48Å; L767-I772 HydrophobicContact CG-CD1 4.25Å
768D84.5Confident90.7Very high141 Ų14152.2 Ų52.275%0.75425%0.251SS*.  trans46.642.5175.5-158.524.6000114.5A764A764-D768 PolarHBondContact O-N 3.15Å
769S89.3Confident90.8Very high32 Ų3249 Ų4922%0.22424%0.24CC..  trans-113125.6179.41720000111.4L767 Q771 I772 W773L767-S769 VanDerWaalsContact C-N 3.25Å; L767-S769 PolarHBondContact O-N 3.16Å; L767-S769 VanDerWaalsContact O-N 3.14Å; S769-Q771 PolarHBondContact O-N 2.87Å; S769-Q771 PolarHBondContact OG-N 3.22Å; S769-I772 PolarHBondContact O-N 3.43Å; S769-W773 PolarHBondContact O-N 2.89Å; S769-W773 VanDerWaalsContact O-N 3.13Å
770Q90.8Very high90.9Very high138 Ų13848 Ų4865%0.64523%0.234SC*.Hα-helixtrans-59.7-34176.2-70.8-174.5-11.400112.6R774 I796Q770-R774 WeakPolarHBondContact O-CB 3.46Å; Q770-R774 PolarHBondContact O-N 3.38Å; Q770-I796 HydrophobicContact CB-CG2 4.29Å; Q770-I796 HydrophobicContact CG-CG2 4.29Å
771Q92Very high90.7Very high159 Ų15948 Ų4874%0.74323%0.234SC*.Hα-helixtrans-66.7-41.1178.3-70.5-177.2-20.500111.7S769 R774 Q775S769-Q771 PolarHBondContact O-N 2.87Å; S769-Q771 PolarHBondContact OG-N 3.22Å; Q771-R774 WeakPolarHBondContact O-CB 3.35Å; Q771-R774 PolarHBondContact O-N 3.21Å; Q771-Q775 WeakPolarHBondContact O-CB 3.2Å; Q771-Q775 PolarHBondContact O-N 2.99Å
772I92.5Very high90.5Very high15 Ų1550.5 Ų50.58%0.07724%0.242CC..Hα-helixtrans-66.7-45.8179.5-67.2-175.3000110.5V745 F748 A764 L767 S769 R774 Q775 L776V745-I772 HydrophobicContact CG2-CD1 4.27Å; F748-I772 HydrophobicContact CD1-CG2 3.98Å; F748-I772 HydrophobicContact CD2-CG2 3.86Å; F748-I772 HydrophobicContact CE1-CG2 3.68Å; F748-I772 HydrophobicContact CE2-CG2 3.54Å; F748-I772 HydrophobicContact CG-CG2 4.07Å; F748-I772 HydrophobicContact CZ-CB 4.48Å; F748-I772 HydrophobicContact CZ-CG2 3.45Å; F748-I772 VanDerWaalsContact CZ-CG2 3.45Å; A764-I772 HydrophobicContact CB-CG2 3.96Å; L767-I772 HydrophobicContact CB-CD1 3.87Å; L767-I772 HydrophobicContact CD1-CD1 3.61Å; L767-I772 HydrophobicContact CD1-CG2 4.48Å; L767-I772 HydrophobicContact CG-CD1 4.25Å; S769-I772 PolarHBondContact O-N 3.43Å; I772-R774 VanDerWaalsContact C-N 3.29Å; I772-R774 PolarHBondContact O-N 3.47Å; I772-Q775 PolarHBondContact O-N 2.79Å; I772-L776 PolarHBondContact O-N 3.27Å
773W94Very high90.4Very high10 Ų1050 Ų504%0.03824%0.24CC..Hα-helixtrans-60.8-39173.3-80.4110.7000112.6E761 A764 N765 S769 L776 G777 C792 I796E761-W773 HydrophobicContact CG-CH2 3.73Å; E761-W773 HydrophobicContact CG-CZ3 3.95Å; A764-W773 HydrophobicContact CB-CD2 3.86Å; A764-W773 HydrophobicContact CB-CE3 4.08Å; A764-W773 HydrophobicContact CB-CG 4.47Å; A764-W773 HydrophobicContact CB-CH2 4.1Å; A764-W773 HydrophobicContact CB-CZ2 3.86Å; A764-W773 HydrophobicContact CB-CZ3 4.2Å; A764-W773 PolarHBondContact O-NE1 2.87Å; N765-W773 HydrophobicContact CB-CZ2 4.25Å; N765-W773 VanDerWaalsContact OD1-CZ2 3.23Å; N765-W773 WeakPolarHBondContact OD1-CZ2 3.5Å; S769-W773 PolarHBondContact O-N 2.89Å; S769-W773 VanDerWaalsContact O-N 3.13Å; W773-L776 HydrophobicContact CE3-CD2 4.28Å; W773-L776 HydrophobicContact CZ3-CD2 4.17Å; W773-L776 PolarHBondContact O-N 3.3Å; W773-G777 PolarHBondContact O-N 3.25Å; W773-C792 HydrophobicContact CE3-CB 3.86Å; W773-C792 HydrophobicContact CZ3-CB 4.3Å; W773-I796 HydrophobicContact CB-CD1 3.75Å; W773-I796 HydrophobicContact CB-CG1 3.43Å; W773-I796 VanDerWaalsContact CB-CG1 3.43Å; W773-I796 HydrophobicContact CG-CG1 4.37Å
774R92.4Very high90.2Very high122 Ų12251.7 Ų51.746%0.4625%0.249SC..Hα-helixtrans-64.2-45.8176.7-169.4172.9-179.8142.41.2110.4Q770 Q771 I772 G777 M778 I796Q770-R774 WeakPolarHBondContact O-CB 3.46Å; Q770-R774 PolarHBondContact O-N 3.38Å; Q771-R774 WeakPolarHBondContact O-CB 3.35Å; Q771-R774 PolarHBondContact O-N 3.21Å; I772-R774 VanDerWaalsContact C-N 3.29Å; I772-R774 PolarHBondContact O-N 3.47Å; R774-G777 PolarHBondContact O-N 3.08Å; R774-M778 HydrophobicContact CG-CE 4.24Å; R774-M778 HydrophobicContact CG-CG 4.33Å; R774-M778 WeakPolarHBondContact O-CB 3.43Å; R774-M778 WeakPolarHBondContact O-CG 3.45Å; R774-M778 PolarHBondContact O-N 3.38Å; R774-I796 VanDerWaalsContact CA-CD1 3.47Å; R774-I796 HydrophobicContact CB-CD1 3.81Å; R774-I796 VanDerWaalsContact N-CD1 3.28Å
775Q93Very high90.1Very high83 Ų8354 Ų5439%0.38826%0.261SS..Hα-helixtrans-58.7-48.9176.8-174.5180-400111.3L752 Q771 I772 G777 M778 S779L752-Q775 HydrophobicContact CD1-CG 4.1Å; Q771-Q775 WeakPolarHBondContact O-CB 3.2Å; Q771-Q775 PolarHBondContact O-N 2.99Å; I772-Q775 PolarHBondContact O-N 2.79Å; Q775-G777 PolarHBondContact O-N 3.48Å; Q775-M778 PolarHBondContact O-N 3.23Å; Q775-S779 WeakPolarHBondContact O-CB 3.34Å; Q775-S779 PolarHBondContact O-N 3.13Å; Q775-S779 PolarHBondContact O-OG 3Å; Q775-S779 VanDerWaalsContact O-OG 3.14Å
776L93.7Very high90.2Very high0 Ų050.8 Ų50.80%024%0.242CC..Hα-helixtrans-59.2-46.7176.7-176.860000111.8F748 L752 F757 A760 E761 A764 I772 W773 M778 S779 C780F748-L776 HydrophobicContact CE2-CB 4.06Å; F748-L776 HydrophobicContact CE2-CD1 4.42Å; F748-L776 HydrophobicContact CE2-CD2 4.41Å; F748-L776 HydrophobicContact CZ-CB 4.05Å; L752-L776 HydrophobicContact CD1-CD1 4.19Å; F757-L776 HydrophobicContact CB-CD1 4.32Å; F757-L776 HydrophobicContact CD1-CD1 4.09Å; A760-L776 HydrophobicContact CB-CD1 3.69Å; A760-L776 HydrophobicContact CB-CD2 4.45Å; E761-L776 HydrophobicContact CB-CD2 4.16Å; A764-L776 HydrophobicContact CB-CD2 4.23Å; I772-L776 PolarHBondContact O-N 3.27Å; W773-L776 HydrophobicContact CE3-CD2 4.28Å; W773-L776 HydrophobicContact CZ3-CD2 4.17Å; W773-L776 PolarHBondContact O-N 3.3Å; L776-M778 PolarHBondContact O-N 3.15Å; L776-S779 PolarHBondContact O-N 3.37Å; L776-C780 WeakPolarHBondContact O-CB 3.23Å; L776-C780 PolarHBondContact O-N 3.14Å; L776-C780 PolarHBondContact O-SG 3.12Å
777G92.6Very high90.4Very high0 Ų051.4 Ų51.40%025%0.249CC..Hα-helixtrans-61.6-43.2178.600000113W773 R774 Q775 C780 L781W773-G777 PolarHBondContact O-N 3.25Å; R774-G777 PolarHBondContact O-N 3.08Å; Q775-G777 PolarHBondContact O-N 3.48Å; G777-C780 PolarHBondContact O-N 2.99Å; G777-L781 PolarHBondContact O-N 3.35Å
778M91.6Very high90.6Very high28 Ų2850.8 Ų50.814%0.13825%0.245CC..Hα-helixtrans-66.4-41176.6-67.3-56.7178.200111.9R774 Q775 L776 L781 R782 F793 L801 I824 L825R774-M778 HydrophobicContact CG-CE 4.24Å; R774-M778 HydrophobicContact CG-CG 4.33Å; R774-M778 WeakPolarHBondContact O-CB 3.43Å; R774-M778 WeakPolarHBondContact O-CG 3.45Å; R774-M778 PolarHBondContact O-N 3.38Å; Q775-M778 PolarHBondContact O-N 3.23Å; L776-M778 PolarHBondContact O-N 3.15Å; M778-L781 PolarHBondContact O-N 3.38Å; M778-L781 HydrophobicContact SD-CD1 4.28Å; M778-R782 PolarHBondContact O-N 3.29Å; M778-R782 VanDerWaalsContact O-N 3.1Å; M778-F793 HydrophobicContact CE-CE1 4.24Å; M778-F793 HydrophobicContact CE-CZ 4.36Å; M778-F793 HydrophobicContact SD-CE1 4.42Å; M778-F793 HydrophobicContact SD-CZ 4.1Å; M778-L801 HydrophobicContact CE-CD1 3.94Å; M778-I824 HydrophobicContact CE-CG2 4.38Å; M778-I824 HydrophobicContact SD-CG2 4.13Å; M778-L825 HydrophobicContact CB-CD2 3.79Å; M778-L825 HydrophobicContact CG-CD2 4.27Å; M778-L825 HydrophobicContact SD-CD2 3.87Å
779S90.3Very high91Very high29 Ų2944 Ų4420%0.20321%0.21CC..Hα-helixtrans-62.6-41.7174.3-66.20000112.1L752 Q775 L776 L781 R782 V783L752-S779 WeakPolarHBondContact CD2-OG 3.44Å; Q775-S779 WeakPolarHBondContact O-CB 3.34Å; Q775-S779 PolarHBondContact O-N 3.13Å; Q775-S779 PolarHBondContact O-OG 3Å; Q775-S779 VanDerWaalsContact O-OG 3.14Å; L776-S779 PolarHBondContact O-N 3.37Å; S779-L781 VanDerWaalsContact C-N 3.32Å; S779-L781 PolarHBondContact O-N 2.84Å; S779-R782 PolarHBondContact O-N 2.78Å; S779-V783 PolarHBondContact O-N 3.26Å
780C91.5Very high91.1Very high0 Ų043.1 Ų43.10%020%0.202CC..Hα-helixtrans-61.7-38.7175.1-67.40000112.2L776 G777 V783 M784 N785 A789L776-C780 WeakPolarHBondContact O-CB 3.23Å; L776-C780 PolarHBondContact O-N 3.14Å; L776-C780 PolarHBondContact O-SG 3.12Å; G777-C780 PolarHBondContact O-N 2.99Å; C780-V783 VanDerWaalsContact O-CG2 3.24Å; C780-V783 WeakPolarHBondContact O-CG2 3.34Å; C780-V783 PolarHBondContact O-N 2.97Å; C780-M784 PolarHBondContact O-N 3.33Å; C780-N785 HydrophobicContact CB-CB 4.35Å; C780-N785 PolarHBondContact O-N 3.35Å; C780-A789 HydrophobicContact CB-CB 3.84Å
781L89.3Confident91.2Very high0 Ų041.1 Ų41.10%019%0.189CC..Hα-helixtrans-64.4-40.2175.1-74.4179.2000112.7G777 M778 S779 V783 M784 F786 A789 F793 V805 I824G777-L781 PolarHBondContact O-N 3.35Å; M778-L781 PolarHBondContact O-N 3.38Å; M778-L781 HydrophobicContact SD-CD1 4.28Å; S779-L781 VanDerWaalsContact C-N 3.32Å; S779-L781 PolarHBondContact O-N 2.84Å; L781-V783 PolarHBondContact O-N 3.37Å; L781-M784 PolarHBondContact O-N 2.77Å; L781-F786 HydrophobicContact CD2-CD1 4Å; L781-F786 HydrophobicContact CD2-CE1 4.32Å; L781-A789 HydrophobicContact CD2-CB 3.72Å; L781-A789 HydrophobicContact CG-CB 3.84Å; L781-F793 HydrophobicContact CD1-CE2 3.69Å; L781-F793 HydrophobicContact CD1-CZ 3.74Å; L781-F793 HydrophobicContact CG-CE2 4.05Å; L781-F793 HydrophobicContact CG-CZ 4.28Å; L781-V805 HydrophobicContact CD1-CG2 4.02Å; L781-V805 HydrophobicContact CD2-CB 4.45Å; L781-V805 HydrophobicContact CD2-CG1 3.81Å; L781-V805 HydrophobicContact CD2-CG2 3.7Å; L781-V805 HydrophobicContact CG-CG2 4.43Å; L781-I824 HydrophobicContact CD1-CG2 3.67Å
782R87.8Confident91.3Very high86 Ų8633.6 Ų33.633%0.32515%0.153SC..Hα-helixtrans-61-34.4-179.3-169.9175.4-86.6163.5-6.7112.3E587 C588 M778 S779 L825 E827E587-R782 WeakPolarHBondContact CA-O 3.24Å; E587-R782 HydrophobicContact CG-CG 3.88Å; C588-R782 PolarHBondContact N-O 3.27Å; C588-R782 VanDerWaalsContact N-O 3.13Å; M778-R782 PolarHBondContact O-N 3.29Å; M778-R782 VanDerWaalsContact O-N 3.1Å; S779-R782 PolarHBondContact O-N 2.78Å; R782-L825 HydrophobicContact CB-CD1 4.06Å; R782-L825 HydrophobicContact CG-CD1 4.29Å; R782-E827 IonicContact CZ-OE1 3.33Å; R782-E827 IonicContact NH2-OE1 3.97Å; R782-E827 PolarHBondContact NH2-OE1 3.11Å
783V87.1Confident91.3Very high11 Ų1132.9 Ų32.97%0.06715%0.15CC..THydrogen-bonded Turntrans-927.3175.3-60.30000114.1F584 E587 F757 S779 C780 L781 N785F584-V783 HydrophobicContact CB-CG1 4.28Å; F584-V783 HydrophobicContact CD1-CB 4.17Å; F584-V783 HydrophobicContact CD1-CG1 3.5Å; F584-V783 VanDerWaalsContact CD1-CG1 3.5Å; F584-V783 HydrophobicContact CD2-CG1 4.38Å; F584-V783 HydrophobicContact CE1-CG1 3.79Å; F584-V783 HydrophobicContact CG-CG1 3.81Å; F584-V783 HydrophobicContact CZ-CG1 4.34Å; E587-V783 HydrophobicContact CB-CG1 4.28Å; E587-V783 HydrophobicContact CG-CG1 4.15Å; F757-V783 HydrophobicContact CD2-CG2 4.49Å; F757-V783 HydrophobicContact CE2-CB 4.5Å; F757-V783 HydrophobicContact CE2-CG1 4.48Å; F757-V783 HydrophobicContact CE2-CG2 3.58Å; F757-V783 HydrophobicContact CZ-CB 4.43Å; F757-V783 HydrophobicContact CZ-CG1 4.04Å; F757-V783 HydrophobicContact CZ-CG2 3.62Å; S779-V783 PolarHBondContact O-N 3.26Å; C780-V783 VanDerWaalsContact O-CG2 3.24Å; C780-V783 WeakPolarHBondContact O-CG2 3.34Å; C780-V783 PolarHBondContact O-N 2.97Å; L781-V783 PolarHBondContact O-N 3.37Å; V783-N785 VanDerWaalsContact C-N 3.31Å; V783-N785 HydrophobicContact CG2-CB 4.14Å; V783-N785 PolarHBondContact O-N 2.79Å
784M86.9Confident91.2Very high35 Ų3539.4 Ų39.417%0.17217%0.174CC..THydrogen-bonded Turntrans60.928.5-178.4-54.1-158.7-76.200115.4N586 F662 C780 L781 F786 L817 I821N586-M784 HydrophobicContact CB-CE 3.63Å; N586-M784 VanDerWaalsContact O-CE 3.25Å; N586-M784 WeakPolarHBondContact O-CE 3.5Å; F662-M784 HydrophobicContact CD1-CE 3.62Å; F662-M784 HydrophobicContact CE1-CE 3.59Å; F662-M784 HydrophobicContact CE1-SD 3.98Å; C780-M784 PolarHBondContact O-N 3.33Å; L781-M784 PolarHBondContact O-N 2.77Å; M784-F786 HydrophobicContact CB-CE2 4Å; M784-F786 HydrophobicContact CB-CZ 3.93Å; M784-F786 HydrophobicContact CG-CZ 4.24Å; M784-F786 WeakPolarHBondContact O-CD2 3.19Å; M784-F786 PolarHBondContact O-N 3.45Å; M784-F786 HydrophobicContact SD-CZ 4.46Å; M784-L817 HydrophobicContact SD-CD2 3.89Å; M784-L817 HydrophobicContact SD-CG 4.43Å; M784-I821 HydrophobicContact CG-CD1 3.87Å; M784-I821 HydrophobicContact SD-CD1 4.05Å
785N89Confident91.1Very high47 Ų4736.3 Ų36.325%0.25117%0.172SC..  trans-86.179.1169.2-170.7-23000110.3C780 V783 L788 A789C780-N785 HydrophobicContact CB-CB 4.35Å; C780-N785 PolarHBondContact O-N 3.35Å; V783-N785 VanDerWaalsContact C-N 3.31Å; V783-N785 HydrophobicContact CG2-CB 4.14Å; V783-N785 PolarHBondContact O-N 2.79Å; N785-L788 WeakPolarHBondContact OD1-CB 3.38Å; N785-L788 PolarHBondContact OD1-N 3.15Å; N785-A789 WeakPolarHBondContact O-CB 3.36Å; N785-A789 PolarHBondContact O-N 3.07Å; N785-A789 VanDerWaalsContact O-N 3.12Å
786F91.2Very high91Very high25 Ų2533.5 Ų33.511%0.1116%0.159CC..Hα-helixtrans-65.8-38.3-174.5-58.2-65.2000113.2L781 M784 L788 A789 I790 V805 I808 Q809 L817 I821L781-F786 HydrophobicContact CD2-CD1 4Å; L781-F786 HydrophobicContact CD2-CE1 4.32Å; M784-F786 HydrophobicContact CB-CE2 4Å; M784-F786 HydrophobicContact CB-CZ 3.93Å; M784-F786 HydrophobicContact CG-CZ 4.24Å; M784-F786 WeakPolarHBondContact O-CD2 3.19Å; M784-F786 PolarHBondContact O-N 3.45Å; M784-F786 HydrophobicContact SD-CZ 4.46Å; F786-L788 PolarHBondContact O-N 2.6Å; F786-A789 PolarHBondContact O-N 3.45Å; F786-I790 WeakPolarHBondContact O-CB 3.2Å; F786-I790 VanDerWaalsContact O-CG1 3.26Å; F786-I790 WeakPolarHBondContact O-CG1 3.39Å; F786-I790 PolarHBondContact O-N 2.93Å; F786-V805 HydrophobicContact CB-CG1 4.36Å; F786-V805 HydrophobicContact CD1-CG1 3.95Å; F786-I808 HydrophobicContact CE1-CD1 4.41Å; F786-Q809 HydrophobicContact CB-CG 4.11Å; F786-Q809 HydrophobicContact CD2-CB 4.45Å; F786-Q809 HydrophobicContact CD2-CG 3.93Å; F786-Q809 HydrophobicContact CG-CB 4.31Å; F786-Q809 HydrophobicContact CG-CG 4.07Å; F786-L817 HydrophobicContact CE1-CD1 4.44Å; F786-L817 HydrophobicContact CZ-CD1 3.99Å; F786-L817 HydrophobicContact CZ-CD2 4.11Å; F786-L817 HydrophobicContact CZ-CG 4.44Å; F786-I821 HydrophobicContact CE1-CD1 4.15Å; F786-I821 HydrophobicContact CZ-CD1 4.15Å
787D91.4Very high90.9Very high105 Ų10541.8 Ų41.856%0.56120%0.198SC*.Hα-helixtrans-64.6-43.5-176.1-67.9-50000111.8R791D787-R791 WeakPolarHBondContact O-CG 3.43Å; D787-R791 PolarHBondContact O-N 3.27Å
788L90.9Very high90.7Very high0 Ų044.2 Ų44.20%021%0.211CC..Hα-helixtrans-73.3-36.9175.9-174.959.8000111.9F757 E761 N785 F786 I790 R791 C792F757-L788 HydrophobicContact CB-CD2 3.2Å; F757-L788 HydrophobicContact CG-CD2 4.31Å; E761-L788 HydrophobicContact CB-CD1 4.4Å; E761-L788 HydrophobicContact CG-CD1 4.3Å; E761-L788 WeakPolarHBondContact OE2-CD1 3.22Å; N785-L788 WeakPolarHBondContact OD1-CB 3.38Å; N785-L788 PolarHBondContact OD1-N 3.15Å; F786-L788 PolarHBondContact O-N 2.6Å; L788-I790 VanDerWaalsContact C-N 3.35Å; L788-I790 PolarHBondContact O-N 3.45Å; L788-R791 VanDerWaalsContact CD1-CZ 3.48Å; L788-R791 WeakPolarHBondContact O-CB 3.07Å; L788-R791 PolarHBondContact O-N 3Å; L788-C792 PolarHBondContact O-N 3.23Å; L788-C792 PolarHBondContact O-SG 2.8Å
789A92.9Very high90.7Very high0 Ų045.9 Ų45.90%023%0.229CC..Hα-helixtrans-58.6-45.2173.800000111.9C780 L781 N785 F786 R791 C792 F793C780-A789 HydrophobicContact CB-CB 3.84Å; L781-A789 HydrophobicContact CD2-CB 3.72Å; L781-A789 HydrophobicContact CG-CB 3.84Å; N785-A789 WeakPolarHBondContact O-CB 3.36Å; N785-A789 PolarHBondContact O-N 3.07Å; N785-A789 VanDerWaalsContact O-N 3.12Å; F786-A789 PolarHBondContact O-N 3.45Å; A789-R791 VanDerWaalsContact C-N 3.32Å; A789-R791 PolarHBondContact O-N 2.51Å; A789-C792 WeakPolarHBondContact O-CB 3.31Å; A789-C792 PolarHBondContact O-N 2.81Å; A789-C792 VanDerWaalsContact O-N 3.16Å; A789-F793 HydrophobicContact CB-CE2 4.02Å; A789-F793 WeakPolarHBondContact O-CD2 3.43Å; A789-F793 WeakPolarHBondContact O-CG 3.19Å; A789-F793 PolarHBondContact O-N 2.92Å
790I93.3Very high90.6Very high12 Ų1246.8 Ų46.86%0.06224%0.243CC..Hα-helixtrans-60.7-41.4175.9-71.1165.6000111F786 L788 R794 I802 V805 Q806F786-I790 WeakPolarHBondContact O-CB 3.2Å; F786-I790 VanDerWaalsContact O-CG1 3.26Å; F786-I790 WeakPolarHBondContact O-CG1 3.39Å; F786-I790 PolarHBondContact O-N 2.93Å; L788-I790 VanDerWaalsContact C-N 3.35Å; L788-I790 PolarHBondContact O-N 3.45Å; I790-R794 WeakPolarHBondContact O-CB 3.35Å; I790-R794 PolarHBondContact O-N 3.3Å; I790-I802 HydrophobicContact CG2-CG2 4.27Å; I790-V805 HydrophobicContact CD1-CG1 4.14Å; I790-V805 HydrophobicContact CG1-CB 4.26Å; I790-V805 HydrophobicContact CG1-CG1 3.75Å; I790-Q806 HydrophobicContact CD1-CG 3.82Å; I790-Q806 HydrophobicContact CG1-CG 4.48Å
791R92.8Very high90.6Very high97 Ų9748 Ų4837%0.36625%0.249SC..Hα-helixtrans-61.4-44174.6-74.8-169.3-74.5148.3-9.9111.6E761 D787 L788 A789 R794 S795E761-R791 IonicContact OE1-CZ 2.86Å; E761-R791 IonicContact OE1-NH1 3.78Å; E761-R791 PolarHBondContact OE1-NH1 3.22Å; E761-R791 IonicContact OE2-CZ 3.64Å; E761-R791 IonicContact OE2-NH1 2.86Å; E761-R791 PolarHBondContact OE2-NH1 2.94Å; E761-R791 IonicContact OE2-NH2 2.76Å; D787-R791 WeakPolarHBondContact O-CG 3.43Å; D787-R791 PolarHBondContact O-N 3.27Å; L788-R791 VanDerWaalsContact CD1-CZ 3.48Å; L788-R791 WeakPolarHBondContact O-CB 3.07Å; L788-R791 PolarHBondContact O-N 3Å; A789-R791 VanDerWaalsContact C-N 3.32Å; A789-R791 PolarHBondContact O-N 2.51Å; R791-R794 WeakPolarHBondContact O-CB 3.42Å; R791-R794 PolarHBondContact O-N 3.11Å; R791-S795 PolarHBondContact O-N 2.64Å; R791-S795 VanDerWaalsContact O-N 3.15Å; R791-S795 PolarHBondContact O-OG 3.25Å
792C92.7Very high90.7Very high0 Ų049.2 Ų49.20%026%0.255CS..Hα-helixtrans-62-48178.1-63.90000112.3W773 L788 A789 R794 S795 I796W773-C792 HydrophobicContact CE3-CB 3.86Å; W773-C792 HydrophobicContact CZ3-CB 4.3Å; L788-C792 PolarHBondContact O-N 3.23Å; L788-C792 PolarHBondContact O-SG 2.8Å; A789-C792 WeakPolarHBondContact O-CB 3.31Å; A789-C792 PolarHBondContact O-N 2.81Å; A789-C792 VanDerWaalsContact O-N 3.16Å; C792-R794 VanDerWaalsContact C-N 3.26Å; C792-R794 PolarHBondContact O-N 2.93Å; C792-S795 WeakPolarHBondContact O-CB 3.49Å; C792-S795 PolarHBondContact O-N 2.91Å; C792-S795 VanDerWaalsContact O-N 3.09Å; C792-I796 PolarHBondContact O-N 2.84Å
793F93.2Very high90.8Very high0 Ų049.5 Ų49.50%026%0.263CS..Hα-helixtrans-67.6-27.7179.2-59.2-46.8000112.7M778 L781 A789 I796 Q797 D798 L801 I802 V805M778-F793 HydrophobicContact CE-CE1 4.24Å; M778-F793 HydrophobicContact CE-CZ 4.36Å; M778-F793 HydrophobicContact SD-CE1 4.42Å; M778-F793 HydrophobicContact SD-CZ 4.1Å; L781-F793 HydrophobicContact CD1-CE2 3.69Å; L781-F793 HydrophobicContact CD1-CZ 3.74Å; L781-F793 HydrophobicContact CG-CE2 4.05Å; L781-F793 HydrophobicContact CG-CZ 4.28Å; A789-F793 HydrophobicContact CB-CE2 4.02Å; A789-F793 WeakPolarHBondContact O-CD2 3.43Å; A789-F793 WeakPolarHBondContact O-CG 3.19Å; A789-F793 PolarHBondContact O-N 2.92Å; F793-I796 HydrophobicContact CD1-CD1 4.08Å; F793-I796 PolarHBondContact O-N 3.45Å; F793-Q797 PolarHBondContact O-N 2.98Å; F793-Q797 VanDerWaalsContact O-N 3.13Å; F793-D798 PolarHBondContact O-N 3.14Å; F793-D798 VanDerWaalsContact O-N 3.15Å; F793-L801 HydrophobicContact CB-CB 4.4Å; F793-L801 HydrophobicContact CD1-CB 4.35Å; F793-L801 HydrophobicContact CD1-CD1 3.83Å; F793-L801 HydrophobicContact CD2-CB 4.18Å; F793-L801 HydrophobicContact CE1-CD1 3.84Å; F793-L801 HydrophobicContact CG-CB 4.05Å; F793-L801 HydrophobicContact CG-CD1 4.38Å; F793-L801 HydrophobicContact CZ-CD1 4.38Å; F793-I802 HydrophobicContact CB-CD1 4.45Å; F793-I802 HydrophobicContact CB-CG1 3.69Å; F793-V805 HydrophobicContact CD2-CG2 4.2Å; F793-V805 HydrophobicContact CE2-CG2 3.94Å
794R92.6Very high91Very high147 Ų14750.5 Ų50.556%0.55527%0.272SS*.Hα-helixtrans-64.2-38.8170.3-169.4-179.8-64.41402.2112.1I790 R791 C792 I796 Q797 I802I790-R794 WeakPolarHBondContact O-CB 3.35Å; I790-R794 PolarHBondContact O-N 3.3Å; R791-R794 WeakPolarHBondContact O-CB 3.42Å; R791-R794 PolarHBondContact O-N 3.11Å; C792-R794 VanDerWaalsContact C-N 3.26Å; C792-R794 PolarHBondContact O-N 2.93Å; R794-I796 VanDerWaalsContact C-N 3.28Å; R794-I796 PolarHBondContact O-N 3.05Å; R794-Q797 PolarHBondContact O-N 2.77Å; R794-Q797 VanDerWaalsContact O-N 3.14Å; R794-I802 HydrophobicContact CB-CD1 4.08Å
795S89.6Confident91.3Very high58 Ų5848.9 Ų48.941%0.40626%0.264SS..Hα-helixtrans-63.9-32.7175.2-56.10000112.6R791 C792 Q797R791-S795 PolarHBondContact O-N 2.64Å; R791-S795 VanDerWaalsContact O-N 3.15Å; R791-S795 PolarHBondContact O-OG 3.25Å; C792-S795 WeakPolarHBondContact O-CB 3.49Å; C792-S795 PolarHBondContact O-N 2.91Å; C792-S795 VanDerWaalsContact O-N 3.09Å; S795-Q797 VanDerWaalsContact C-N 3.3Å
796I91.4Very high91.4Very high24 Ų2450.5 Ų50.512%0.12327%0.27CS..Hα-helixtrans-80.4-14.2176.8-52.3165.2000112Q770 W773 R774 C792 F793 R794 D798Q770-I796 HydrophobicContact CB-CG2 4.29Å; Q770-I796 HydrophobicContact CG-CG2 4.29Å; W773-I796 HydrophobicContact CB-CD1 3.75Å; W773-I796 HydrophobicContact CB-CG1 3.43Å; W773-I796 VanDerWaalsContact CB-CG1 3.43Å; W773-I796 HydrophobicContact CG-CG1 4.37Å; R774-I796 VanDerWaalsContact CA-CD1 3.47Å; R774-I796 HydrophobicContact CB-CD1 3.81Å; R774-I796 VanDerWaalsContact N-CD1 3.28Å; C792-I796 PolarHBondContact O-N 2.84Å; F793-I796 HydrophobicContact CD1-CD1 4.08Å; F793-I796 PolarHBondContact O-N 3.45Å; R794-I796 VanDerWaalsContact C-N 3.28Å; R794-I796 PolarHBondContact O-N 3.05Å; I796-D798 VanDerWaalsContact C-N 3.26Å; I796-D798 HydrophobicContact CG2-CB 4.48Å; I796-D798 PolarHBondContact O-N 3.28Å
797Q90Very high91.4Very high174 Ų17458.4 Ų58.481%0.81330%0.299SS*.THydrogen-bonded Turntrans63.428.5-171.4-51.2179.41.400113.6F793 R794 S795 A799F793-Q797 PolarHBondContact O-N 2.98Å; F793-Q797 VanDerWaalsContact O-N 3.13Å; R794-Q797 PolarHBondContact O-N 2.77Å; R794-Q797 VanDerWaalsContact O-N 3.14Å; S795-Q797 VanDerWaalsContact C-N 3.3Å; Q797-A799 PolarHBondContact O-N 3.14Å; Q797-A799 VanDerWaalsContact O-N 3.16Å
798D90.2Very high91.4Very high51 Ų5154 Ų5427%0.27328%0.275SS..  trans-85.884.5174.5-166.6-28.6000110.5F793 I796 G800 L801 I802F793-D798 PolarHBondContact O-N 3.14Å; F793-D798 VanDerWaalsContact O-N 3.15Å; I796-D798 VanDerWaalsContact C-N 3.26Å; I796-D798 HydrophobicContact CG2-CB 4.48Å; I796-D798 PolarHBondContact O-N 3.28Å; D798-G800 PolarHBondContact O-N 3.01Å; D798-G800 PolarHBondContact OD1-N 2.98Å; D798-G800 VanDerWaalsContact OD1-N 3.15Å; D798-L801 HydrophobicContact CB-CB 4.36Å; D798-L801 HydrophobicContact CB-CD1 4.39Å; D798-L801 PolarHBondContact O-N 3.38Å; D798-L801 PolarHBondContact OD1-N 2.89Å; D798-L801 VanDerWaalsContact OD2-CD1 3.26Å; D798-L801 WeakPolarHBondContact OD2-CD1 3.13Å; D798-L801 WeakPolarHBondContact OD2-CG 3.36Å; D798-I802 WeakPolarHBondContact O-CD1 3.03Å; D798-I802 VanDerWaalsContact O-CG1 3.27Å; D798-I802 WeakPolarHBondContact O-CG1 3.28Å; D798-I802 PolarHBondContact O-N 3.43Å
799A89.8Confident91.3Very high63 Ų6357.7 Ų57.752%0.52129%0.293SS..Hα-helixtrans-61.2-28.6178.900000113Q797 L803Q797-A799 PolarHBondContact O-N 3.14Å; Q797-A799 VanDerWaalsContact O-N 3.16Å; A799-L803 VanDerWaalsContact O-CG 3.31Å; A799-L803 WeakPolarHBondContact O-CG 3.34Å; A799-L803 PolarHBondContact O-N 2.54Å; A799-L803 VanDerWaalsContact O-N 3.12Å
800G89.7Confident91Very high48 Ų4866.3 Ų66.350%0.49533%0.33SS..Hα-helixtrans-66.2-51.1-179.900000111.4D798 I802 L803 A804D798-G800 PolarHBondContact O-N 3.01Å; D798-G800 PolarHBondContact OD1-N 2.98Å; D798-G800 VanDerWaalsContact OD1-N 3.15Å; G800-I802 VanDerWaalsContact C-N 3.35Å; G800-I802 PolarHBondContact O-N 3.26Å; G800-L803 PolarHBondContact O-N 3.46Å; G800-A804 WeakPolarHBondContact O-CB 3.44Å; G800-A804 PolarHBondContact O-N 3.42Å
801L90.3Very high90.8Very high26 Ų2667.6 Ų67.614%0.13634%0.337CS..Hα-helixtrans-63-39.9176.6-75.1177.5000112.1M778 F793 D798 L803 A804 V805 I824M778-L801 HydrophobicContact CE-CD1 3.94Å; F793-L801 HydrophobicContact CB-CB 4.4Å; F793-L801 HydrophobicContact CD1-CB 4.35Å; F793-L801 HydrophobicContact CD1-CD1 3.83Å; F793-L801 HydrophobicContact CD2-CB 4.18Å; F793-L801 HydrophobicContact CE1-CD1 3.84Å; F793-L801 HydrophobicContact CG-CB 4.05Å; F793-L801 HydrophobicContact CG-CD1 4.38Å; F793-L801 HydrophobicContact CZ-CD1 4.38Å; D798-L801 HydrophobicContact CB-CB 4.36Å; D798-L801 HydrophobicContact CB-CD1 4.39Å; D798-L801 PolarHBondContact O-N 3.38Å; D798-L801 PolarHBondContact OD1-N 2.89Å; D798-L801 VanDerWaalsContact OD2-CD1 3.26Å; D798-L801 WeakPolarHBondContact OD2-CD1 3.13Å; D798-L801 WeakPolarHBondContact OD2-CG 3.36Å; L801-L803 PolarHBondContact O-N 3.48Å; L801-A804 PolarHBondContact O-N 3.45Å; L801-V805 VanDerWaalsContact O-CG2 3.26Å; L801-V805 WeakPolarHBondContact O-CG2 3.12Å; L801-V805 PolarHBondContact O-N 3.3Å; L801-I824 HydrophobicContact CD2-CG2 3.99Å
802I91.3Very high90.4Very high24 Ų2472 Ų7212%0.12336%0.361CS..Hα-helixtrans-58.8-48.3178-64.9164.6000110.9I790 F793 R794 D798 G800 A804 V805 Q806I790-I802 HydrophobicContact CG2-CG2 4.27Å; F793-I802 HydrophobicContact CB-CD1 4.45Å; F793-I802 HydrophobicContact CB-CG1 3.69Å; R794-I802 HydrophobicContact CB-CD1 4.08Å; D798-I802 WeakPolarHBondContact O-CD1 3.03Å; D798-I802 VanDerWaalsContact O-CG1 3.27Å; D798-I802 WeakPolarHBondContact O-CG1 3.28Å; D798-I802 PolarHBondContact O-N 3.43Å; G800-I802 VanDerWaalsContact C-N 3.35Å; G800-I802 PolarHBondContact O-N 3.26Å; I802-A804 VanDerWaalsContact C-N 3.33Å; I802-A804 PolarHBondContact O-N 3.5Å; I802-V805 PolarHBondContact O-N 2.92Å; I802-Q806 WeakPolarHBondContact O-CB 3.39Å; I802-Q806 VanDerWaalsContact O-CG 3.31Å; I802-Q806 WeakPolarHBondContact O-CG 3.11Å; I802-Q806 PolarHBondContact O-N 3.47Å
803L91.4Very high90.2Very high93 Ų9374.3 Ų74.349%0.48737%0.374SS..Hα-helixtrans-65.4-38178.9-70.3171.9000111.7A799 G800 L801 R807A799-L803 VanDerWaalsContact O-CG 3.31Å; A799-L803 WeakPolarHBondContact O-CG 3.34Å; A799-L803 PolarHBondContact O-N 2.54Å; A799-L803 VanDerWaalsContact O-N 3.12Å; G800-L803 PolarHBondContact O-N 3.46Å; L801-L803 PolarHBondContact O-N 3.48Å; L803-R807 VanDerWaalsContact O-CG 3.31Å; L803-R807 WeakPolarHBondContact O-CG 3.14Å; L803-R807 PolarHBondContact O-N 3Å; L803-R807 VanDerWaalsContact O-N 3.14Å
804A91.2Very high89.8Confident32 Ų3281.6 Ų81.626%0.26440%0.402SS..Hα-helixtrans-62.1-49.1175.500000111.4G800 L801 I802 Q806 R807 I808 I824G800-A804 WeakPolarHBondContact O-CB 3.44Å; G800-A804 PolarHBondContact O-N 3.42Å; L801-A804 PolarHBondContact O-N 3.45Å; I802-A804 VanDerWaalsContact C-N 3.33Å; I802-A804 PolarHBondContact O-N 3.5Å; A804-Q806 PolarHBondContact O-N 3.48Å; A804-R807 PolarHBondContact O-N 3.27Å; A804-I808 PolarHBondContact O-N 3.3Å; A804-I808 VanDerWaalsContact O-N 3.14Å; A804-I824 HydrophobicContact CB-CD1 4.45Å
805V91.8Very high89.5Confident0 Ų079.1 Ų79.10%039%0.393CS..Hα-helixtrans-62.7-42.9-1801770000111.6L781 F786 I790 F793 L801 I802 R807 I808 Q809L781-V805 HydrophobicContact CD1-CG2 4.02Å; L781-V805 HydrophobicContact CD2-CB 4.45Å; L781-V805 HydrophobicContact CD2-CG1 3.81Å; L781-V805 HydrophobicContact CD2-CG2 3.7Å; L781-V805 HydrophobicContact CG-CG2 4.43Å; F786-V805 HydrophobicContact CB-CG1 4.36Å; F786-V805 HydrophobicContact CD1-CG1 3.95Å; I790-V805 HydrophobicContact CD1-CG1 4.14Å; I790-V805 HydrophobicContact CG1-CB 4.26Å; I790-V805 HydrophobicContact CG1-CG1 3.75Å; F793-V805 HydrophobicContact CD2-CG2 4.2Å; F793-V805 HydrophobicContact CE2-CG2 3.94Å; L801-V805 VanDerWaalsContact O-CG2 3.26Å; L801-V805 WeakPolarHBondContact O-CG2 3.12Å; L801-V805 PolarHBondContact O-N 3.3Å; I802-V805 PolarHBondContact O-N 2.92Å; V805-R807 VanDerWaalsContact C-N 3.29Å; V805-R807 PolarHBondContact O-N 2.93Å; V805-I808 VanDerWaalsContact O-CG1 3.24Å; V805-I808 WeakPolarHBondContact O-CG1 3.21Å; V805-I808 PolarHBondContact O-N 3.11Å; V805-Q809 WeakPolarHBondContact O-CB 3.46Å; V805-Q809 PolarHBondContact O-N 2.94Å
806Q92.1Very high89.5Confident81 Ų8176.8 Ų76.838%0.37938%0.376SS..Hα-helixtrans-64.2-31.3177.3-75.3179.8-26.100113.5I790 I802 A804I790-Q806 HydrophobicContact CD1-CG 3.82Å; I790-Q806 HydrophobicContact CG1-CG 4.48Å; I802-Q806 WeakPolarHBondContact O-CB 3.39Å; I802-Q806 VanDerWaalsContact O-CG 3.31Å; I802-Q806 WeakPolarHBondContact O-CG 3.11Å; I802-Q806 PolarHBondContact O-N 3.47Å; A804-Q806 PolarHBondContact O-N 3.48Å
807R90.7Very high89.4Confident192 Ų19276.4 Ų76.473%0.72537%0.374SS*.Hα-helixtrans-69.8-44.8174.6-74.9174.8-172.8179.23.1111L803 A804 V805L803-R807 VanDerWaalsContact O-CG 3.31Å; L803-R807 WeakPolarHBondContact O-CG 3.14Å; L803-R807 PolarHBondContact O-N 3Å; L803-R807 VanDerWaalsContact O-N 3.14Å; A804-R807 PolarHBondContact O-N 3.27Å; V805-R807 VanDerWaalsContact C-N 3.29Å; V805-R807 PolarHBondContact O-N 2.93Å
808I91.3Very high89.3Confident11 Ų1168.1 Ų68.16%0.05634%0.335CS..Hα-helixtrans-76.9-26.8-175.665.9167.4000113F786 A804 V805 K810 I811 L817 Y820 I821 I824F786-I808 HydrophobicContact CE1-CD1 4.41Å; A804-I808 PolarHBondContact O-N 3.3Å; A804-I808 VanDerWaalsContact O-N 3.14Å; V805-I808 VanDerWaalsContact O-CG1 3.24Å; V805-I808 WeakPolarHBondContact O-CG1 3.21Å; V805-I808 PolarHBondContact O-N 3.11Å; I808-K810 PolarHBondContact O-N 2.89Å; I808-I811 HydrophobicContact CB-CD1 4.02Å; I808-I811 HydrophobicContact CG2-CD1 4.06Å; I808-I811 WeakPolarHBondContact O-CB 3.17Å; I808-I811 WeakPolarHBondContact O-CG1 3.3Å; I808-I811 PolarHBondContact O-N 3.4Å; I808-L817 HydrophobicContact CB-CD1 4.02Å; I808-L817 HydrophobicContact CD1-CD1 4.31Å; I808-L817 HydrophobicContact CG1-CD1 4.3Å; I808-L817 WeakPolarHBondContact O-CD1 3.32Å; I808-Y820 HydrophobicContact CG2-CD1 4.41Å; I808-Y820 HydrophobicContact CG2-CD2 4.11Å; I808-Y820 HydrophobicContact CG2-CG 3.84Å; I808-I821 HydrophobicContact CD1-CG1 3.97Å; I808-I824 HydrophobicContact CD1-CD1 3.72Å
809Q88.9Confident89.3Confident79 Ų7965.7 Ų65.737%0.36932%0.322SS..THydrogen-bonded Turntrans-55-24.8178.2-175.5178.613.800113.2F786 V805F786-Q809 HydrophobicContact CB-CG 4.11Å; F786-Q809 HydrophobicContact CD2-CB 4.45Å; F786-Q809 HydrophobicContact CD2-CG 3.93Å; F786-Q809 HydrophobicContact CG-CB 4.31Å; F786-Q809 HydrophobicContact CG-CG 4.07Å; V805-Q809 WeakPolarHBondContact O-CB 3.46Å; V805-Q809 PolarHBondContact O-N 2.94Å
810K86.9Confident89.4Confident181 Ų18165 Ų6579%0.78731%0.306SS*.THydrogen-bonded Turntrans-88.1-2.3-179.8-61-176.9-178.7-178.80114.2I808 E812I808-K810 PolarHBondContact O-N 2.89Å; K810-E812 PolarHBondContact O-N 2.84Å
811I88.4Confident89.5Confident39 Ų3962.7 Ų62.720%0.228%0.283CS..  trans-81.9117.8-175.8-61.5175.7000109.6I808 N813 L816 L817 Y820I808-I811 HydrophobicContact CB-CD1 4.02Å; I808-I811 HydrophobicContact CG2-CD1 4.06Å; I808-I811 WeakPolarHBondContact O-CB 3.17Å; I808-I811 WeakPolarHBondContact O-CG1 3.3Å; I808-I811 PolarHBondContact O-N 3.4Å; I811-N813 HydrophobicContact CG2-CB 4.45Å; I811-L816 HydrophobicContact CD1-CG 4.45Å; I811-L816 HydrophobicContact CG2-CB 3.99Å; I811-L816 HydrophobicContact CG2-CD2 3.94Å; I811-L816 HydrophobicContact CG2-CG 3.99Å; I811-L817 HydrophobicContact CB-CB 4.35Å; I811-L817 HydrophobicContact CG2-CB 4.11Å; I811-Y820 HydrophobicContact CD1-CD2 3.44Å; I811-Y820 VanDerWaalsContact CD1-CD2 3.44Å; I811-Y820 HydrophobicContact CD1-CE2 3.58Å
812E85.6Confident89.4Confident188 Ų18861.5 Ų61.588%0.87928%0.276SS*.  trans-80.3-31.2178.2-63.8-178.4172.500112.9K810 R814K810-E812 PolarHBondContact O-N 2.84Å; E812-R814 PolarHBondContact O-N 2.95Å
813N87.8Confident89.4Confident50 Ų5063.1 Ų63.127%0.26728%0.284SS..  trans-69.2107.9178.2-175.8-26000109.9I811 Y815 L816 L817 S839I811-N813 HydrophobicContact CG2-CB 4.45Å; N813-Y815 VanDerWaalsContact C-N 3.3Å; N813-Y815 PolarHBondContact O-N 2.76Å; N813-Y815 PolarHBondContact OD1-N 3.43Å; N813-L816 HydrophobicContact CB-CB 3.91Å; N813-L816 PolarHBondContact O-N 3.48Å; N813-L816 VanDerWaalsContact O-N 3.16Å; N813-L816 PolarHBondContact OD1-N 3.13Å; N813-L817 WeakPolarHBondContact O-CB 3.47Å; N813-L817 PolarHBondContact O-N 2.86Å; N813-S839 VanDerWaalsContact ND2-CB 3.33Å; N813-S839 WeakPolarHBondContact ND2-CB 3.35Å; N813-S839 PolarHBondContact ND2-N 2.8Å; N813-S839 VanDerWaalsContact ND2-N 3.16Å; N813-S839 PolarHBondContact ND2-OG 3.29Å
814R84.2Confident89.4Confident153 Ų15359.7 Ų59.758%0.57727%0.266SS*.Hα-helixtrans-55.9-38.8-178.4-67.7-172178.8-178.3-1.1113.6F662 E812 A818F662-R814 HydrophobicContact CE2-CB 3.59Å; F662-R814 HydrophobicContact CE2-CG 4.35Å; F662-R814 HydrophobicContact CZ-CB 3.66Å; F662-R814 HydrophobicContact CZ-CG 4.42Å; F662-R814 WeakPolarHBondContact CZ-O 3.23Å; E812-R814 PolarHBondContact O-N 2.95Å; R814-A818 VanDerWaalsContact O-CB 3.22Å; R814-A818 WeakPolarHBondContact O-CB 3.03Å; R814-A818 PolarHBondContact O-N 2.81Å
815Y86.4Confident89.3Confident95 Ų9559.4 Ų59.437%0.37326%0.26SS..Hα-helixtrans-69.5-42.3178.7-66.9-95.6000111.9I661 N813 A818 G819 L834 I837I661-Y815 HydrophobicContact CD1-CD1 3.51Å; I661-Y815 HydrophobicContact CD1-CE1 2.93Å; I661-Y815 HydrophobicContact CG1-CE1 4.44Å; N813-Y815 VanDerWaalsContact C-N 3.3Å; N813-Y815 PolarHBondContact O-N 2.76Å; N813-Y815 PolarHBondContact OD1-N 3.43Å; Y815-A818 PolarHBondContact O-N 3.14Å; Y815-G819 PolarHBondContact O-N 3.21Å; Y815-L834 HydrophobicContact CD1-CD2 4.32Å; Y815-I837 HydrophobicContact CD1-CB 4.49Å; Y815-I837 HydrophobicContact CD1-CG2 4.13Å; Y815-I837 HydrophobicContact CE1-CG2 4.08Å
816L90.5Very high89.2Confident9 Ų964.3 Ų64.35%0.04729%0.286CS..Hα-helixtrans-63.8-45.8176.8-175.856.7000110.3I811 N813 G819 Y820 F835 E840I811-L816 HydrophobicContact CD1-CG 4.45Å; I811-L816 HydrophobicContact CG2-CB 3.99Å; I811-L816 HydrophobicContact CG2-CD2 3.94Å; I811-L816 HydrophobicContact CG2-CG 3.99Å; N813-L816 HydrophobicContact CB-CB 3.91Å; N813-L816 PolarHBondContact O-N 3.48Å; N813-L816 VanDerWaalsContact O-N 3.16Å; N813-L816 PolarHBondContact OD1-N 3.13Å; L816-G819 PolarHBondContact O-N 3.38Å; L816-Y820 HydrophobicContact CD1-CD2 4Å; L816-Y820 HydrophobicContact CD1-CE2 3.41Å; L816-Y820 VanDerWaalsContact CD1-CE2 3.41Å; L816-Y820 HydrophobicContact CD2-CE2 4.27Å; L816-Y820 HydrophobicContact CG-CD2 3.99Å; L816-Y820 HydrophobicContact CG-CE2 3.6Å; L816-Y820 WeakPolarHBondContact O-CD2 3.44Å; L816-Y820 PolarHBondContact O-N 3.34Å; L816-F835 HydrophobicContact CD1-CD1 3.82Å; L816-F835 HydrophobicContact CD1-CE1 3.97Å; L816-E840 HydrophobicContact CD1-CB 4Å; L816-E840 HydrophobicContact CD2-CB 4.34Å; L816-E840 HydrophobicContact CD2-CG 4.14Å
817L89.4Confident89Confident16 Ų1662.1 Ų62.18%0.08428%0.276CS..Hα-helixtrans-59.5-48.7175.6178.857.7000111.6M784 F786 I808 I811 N813 G819 Y820 I821M784-L817 HydrophobicContact SD-CD2 3.89Å; M784-L817 HydrophobicContact SD-CG 4.43Å; F786-L817 HydrophobicContact CE1-CD1 4.44Å; F786-L817 HydrophobicContact CZ-CD1 3.99Å; F786-L817 HydrophobicContact CZ-CD2 4.11Å; F786-L817 HydrophobicContact CZ-CG 4.44Å; I808-L817 HydrophobicContact CB-CD1 4.02Å; I808-L817 HydrophobicContact CD1-CD1 4.31Å; I808-L817 HydrophobicContact CG1-CD1 4.3Å; I808-L817 WeakPolarHBondContact O-CD1 3.32Å; I811-L817 HydrophobicContact CB-CB 4.35Å; I811-L817 HydrophobicContact CG2-CB 4.11Å; N813-L817 WeakPolarHBondContact O-CB 3.47Å; N813-L817 PolarHBondContact O-N 2.86Å; L817-G819 VanDerWaalsContact C-N 3.31Å; L817-G819 PolarHBondContact O-N 2.96Å; L817-Y820 PolarHBondContact O-N 3.31Å; L817-I821 HydrophobicContact CD1-CD1 4.04Å; L817-I821 HydrophobicContact CD1-CG1 4.33Å; L817-I821 HydrophobicContact CG-CD1 3.95Å; L817-I821 WeakPolarHBondContact O-CG1 3.31Å; L817-I821 PolarHBondContact O-N 3.24Å
818A87.3Confident89.1Confident0 Ų055.3 Ų55.30%025%0.252CS..Hα-helixtrans-61.6-38.6176.800000112C588 I661 F662 R814 Y815 I821 A822 L834C588-A818 VanDerWaalsContact SG-CB 3.54Å; I661-A818 HydrophobicContact CG2-CB 4.46Å; F662-A818 HydrophobicContact CE1-CB 4.32Å; F662-A818 HydrophobicContact CZ-CB 3.93Å; R814-A818 VanDerWaalsContact O-CB 3.22Å; R814-A818 WeakPolarHBondContact O-CB 3.03Å; R814-A818 PolarHBondContact O-N 2.81Å; Y815-A818 PolarHBondContact O-N 3.14Å; A818-I821 PolarHBondContact O-N 3.45Å; A818-A822 VanDerWaalsContact O-CB 3.29Å; A818-A822 WeakPolarHBondContact O-CB 3.43Å; A818-A822 PolarHBondContact O-N 2.71Å; A818-L834 HydrophobicContact CB-CD1 3.85Å; A818-L834 HydrophobicContact CB-CD2 4.37Å
819G89.4Confident89Confident0 Ų060.2 Ų60.20%028%0.278CS..Hα-helixtrans-60.6-45.7174.900000112Y815 L816 L817 A822 M823 A831 F835Y815-G819 PolarHBondContact O-N 3.21Å; L816-G819 PolarHBondContact O-N 3.38Å; L817-G819 VanDerWaalsContact C-N 3.31Å; L817-G819 PolarHBondContact O-N 2.96Å; G819-A822 PolarHBondContact O-N 3.15Å; G819-M823 WeakPolarHBondContact O-CB 3.08Å; G819-M823 PolarHBondContact O-N 3.28Å; G819-A831 WeakPolarHBondContact O-CB 3.49Å; G819-F835 VanDerWaalsContact C-CE1 3.43Å; G819-F835 WeakPolarHBondContact O-CZ 3.22Å
820Y93Very high88.8Confident48 Ų4859.2 Ų59.219%0.18827%0.272CS..Hα-helixtrans-66.6-39.3175.3-75.2-61.9000112.9I808 I811 L816 L817 M823 I824 F835I808-Y820 HydrophobicContact CG2-CD1 4.41Å; I808-Y820 HydrophobicContact CG2-CD2 4.11Å; I808-Y820 HydrophobicContact CG2-CG 3.84Å; I811-Y820 HydrophobicContact CD1-CD2 3.44Å; I811-Y820 VanDerWaalsContact CD1-CD2 3.44Å; I811-Y820 HydrophobicContact CD1-CE2 3.58Å; L816-Y820 HydrophobicContact CD1-CD2 4Å; L816-Y820 HydrophobicContact CD1-CE2 3.41Å; L816-Y820 VanDerWaalsContact CD1-CE2 3.41Å; L816-Y820 HydrophobicContact CD2-CE2 4.27Å; L816-Y820 HydrophobicContact CG-CD2 3.99Å; L816-Y820 HydrophobicContact CG-CE2 3.6Å; L816-Y820 WeakPolarHBondContact O-CD2 3.44Å; L816-Y820 PolarHBondContact O-N 3.34Å; L817-Y820 PolarHBondContact O-N 3.31Å; Y820-M823 HydrophobicContact CD1-CE 3.81Å; Y820-M823 HydrophobicContact CE1-CE 4.33Å; Y820-M823 WeakPolarHBondContact O-CB 3.33Å; Y820-M823 PolarHBondContact O-N 2.77Å; Y820-I824 WeakPolarHBondContact O-CG1 3.38Å; Y820-I824 PolarHBondContact O-N 3.5Å; Y820-F835 AromaticContact CD1-CE1 3.84Å; Y820-F835 HydrophobicContact CD1-CE1 3.84Å; Y820-F835 AromaticContact CD1-CZ 3.61Å; Y820-F835 HydrophobicContact CD1-CZ 3.61Å; Y820-F835 AromaticContact CD2-CE1 3.96Å; Y820-F835 HydrophobicContact CD2-CE1 3.96Å; Y820-F835 AromaticContact CE1-CE1 3.97Å; Y820-F835 HydrophobicContact CE1-CE1 3.97Å; Y820-F835 AromaticContact CE1-CZ 3.89Å; Y820-F835 HydrophobicContact CE1-CZ 3.89Å; Y820-F835 HydrophobicContact CE2-CE1 4.1Å; Y820-F835 AromaticContact CG-CE1 3.82Å; Y820-F835 HydrophobicContact CG-CE1 3.82Å; Y820-F835 AromaticContact CG-CZ 3.95Å; Y820-F835 HydrophobicContact CG-CZ 3.95Å
821I90.8Very high89Confident0 Ų050.6 Ų50.60%024%0.235CC..Hα-helixtrans-62.3-45.4174.7-68.7168.9000110.2M784 F786 I808 L817 A818 M823 I824 L825M784-I821 HydrophobicContact CG-CD1 3.87Å; M784-I821 HydrophobicContact SD-CD1 4.05Å; F786-I821 HydrophobicContact CE1-CD1 4.15Å; F786-I821 HydrophobicContact CZ-CD1 4.15Å; I808-I821 HydrophobicContact CD1-CG1 3.97Å; L817-I821 HydrophobicContact CD1-CD1 4.04Å; L817-I821 HydrophobicContact CD1-CG1 4.33Å; L817-I821 HydrophobicContact CG-CD1 3.95Å; L817-I821 WeakPolarHBondContact O-CG1 3.31Å; L817-I821 PolarHBondContact O-N 3.24Å; A818-I821 PolarHBondContact O-N 3.45Å; I821-M823 VanDerWaalsContact C-N 3.3Å; I821-M823 PolarHBondContact O-N 2.92Å; I821-I824 PolarHBondContact O-N 3.42Å; I821-L825 HydrophobicContact CG2-CD1 3.82Å; I821-L825 HydrophobicContact CG2-CG 4.44Å; I821-L825 WeakPolarHBondContact O-CB 3.45Å; I821-L825 WeakPolarHBondContact O-CG 3.45Å; I821-L825 PolarHBondContact O-N 3.18Å
822A89.6Confident89.2Confident0 Ų050.8 Ų50.80%024%0.235CC..Hα-helixtrans-59.2-42.317600000111.7L590 A818 G819 L825 N826 E827 A831 L834L590-A822 HydrophobicContact CD1-CB 4.23Å; L590-A822 HydrophobicContact CD2-CB 3.67Å; A818-A822 VanDerWaalsContact O-CB 3.29Å; A818-A822 WeakPolarHBondContact O-CB 3.43Å; A818-A822 PolarHBondContact O-N 2.71Å; G819-A822 PolarHBondContact O-N 3.15Å; A822-L825 CarbonylContact O-C 3.38Å; A822-L825 PolarHBondContact O-N 3.01Å; A822-N826 PolarHBondContact O-N 3.03Å; A822-E827 HydrophobicContact CB-CB 4.42Å; A822-E827 PolarHBondContact O-N 2.89Å; A822-A831 HydrophobicContact CB-CB 3.85Å; A822-L834 HydrophobicContact CB-CD1 4.28Å
823M91.3Very high89.4Confident58 Ų5846.5 Ų46.529%0.28622%0.215SC..Hα-helixtrans-61.3-44.4175.7-173.1-178.776.700111.9G819 Y820 I821 L825 N826 F828 A831 F835 M847G819-M823 WeakPolarHBondContact O-CB 3.08Å; G819-M823 PolarHBondContact O-N 3.28Å; Y820-M823 HydrophobicContact CD1-CE 3.81Å; Y820-M823 HydrophobicContact CE1-CE 4.33Å; Y820-M823 WeakPolarHBondContact O-CB 3.33Å; Y820-M823 PolarHBondContact O-N 2.77Å; I821-M823 VanDerWaalsContact C-N 3.3Å; I821-M823 PolarHBondContact O-N 2.92Å; M823-L825 VanDerWaalsContact C-N 3.28Å; M823-L825 PolarHBondContact O-N 3.36Å; M823-N826 PolarHBondContact O-N 3.24Å; M823-N826 VanDerWaalsContact O-N 3.11Å; M823-F828 HydrophobicContact CG-CD1 4.44Å; M823-F828 HydrophobicContact CG-CE1 4.37Å; M823-A831 HydrophobicContact CB-CB 4.1Å; M823-F835 HydrophobicContact CB-CE2 4.42Å; M823-F835 HydrophobicContact CB-CZ 4.43Å; M823-F835 HydrophobicContact SD-CE2 4.24Å; M823-F835 HydrophobicContact SD-CZ 4.32Å; M823-M847 HydrophobicContact CB-SD 4.23Å; M823-M847 HydrophobicContact CG-CG 4.05Å; M823-M847 HydrophobicContact CG-SD 3.83Å; M823-M847 HydrophobicContact SD-CB 4.12Å; M823-M847 HydrophobicContact SD-CG 3.81Å; M823-M847 HydrophobicContact SD-SD 4.06Å
824I90.6Very high89.4Confident22 Ų2244.3 Ų44.311%0.11320%0.204CC..Hα-helixtrans-65.1-33.5176.6-66.9169000111.7M778 L781 L801 A804 I808 Y820 I821 N826M778-I824 HydrophobicContact CE-CG2 4.38Å; M778-I824 HydrophobicContact SD-CG2 4.13Å; L781-I824 HydrophobicContact CD1-CG2 3.67Å; L801-I824 HydrophobicContact CD2-CG2 3.99Å; A804-I824 HydrophobicContact CB-CD1 4.45Å; I808-I824 HydrophobicContact CD1-CD1 3.72Å; Y820-I824 WeakPolarHBondContact O-CG1 3.38Å; Y820-I824 PolarHBondContact O-N 3.5Å; I821-I824 PolarHBondContact O-N 3.42Å; I824-N826 PolarHBondContact O-N 3.34Å
825L89Confident89.9Confident26 Ų2637 Ų3714%0.13618%0.176CC..THydrogen-bonded Turntrans-79.84.2176-66.6173.2000113.6L590 M778 R782 I821 A822 M823 E827L590-L825 HydrophobicContact CD1-CD1 3.42Å; L590-L825 VanDerWaalsContact CD1-CD1 3.42Å; M778-L825 HydrophobicContact CB-CD2 3.79Å; M778-L825 HydrophobicContact CG-CD2 4.27Å; M778-L825 HydrophobicContact SD-CD2 3.87Å; R782-L825 HydrophobicContact CB-CD1 4.06Å; R782-L825 HydrophobicContact CG-CD1 4.29Å; I821-L825 HydrophobicContact CG2-CD1 3.82Å; I821-L825 HydrophobicContact CG2-CG 4.44Å; I821-L825 WeakPolarHBondContact O-CB 3.45Å; I821-L825 WeakPolarHBondContact O-CG 3.45Å; I821-L825 PolarHBondContact O-N 3.18Å; A822-L825 CarbonylContact O-C 3.38Å; A822-L825 PolarHBondContact O-N 3.01Å; M823-L825 VanDerWaalsContact C-N 3.28Å; M823-L825 PolarHBondContact O-N 3.36Å; L825-E827 VanDerWaalsContact C-N 3.28Å; L825-E827 HydrophobicContact CB-CG 4.44Å; L825-E827 PolarHBondContact O-N 3.42Å
826N89.8Confident90.1Very high102 Ų10236 Ų3655%0.54518%0.176SC..THydrogen-bonded Turntrans6325.5-176.8-54.9-47000114.7A822 M823 I824 F828A822-N826 PolarHBondContact O-N 3.03Å; M823-N826 PolarHBondContact O-N 3.24Å; M823-N826 VanDerWaalsContact O-N 3.11Å; I824-N826 PolarHBondContact O-N 3.34Å; N826-F828 HydrophobicContact CB-CE2 4.06Å; N826-F828 HydrophobicContact CB-CZ 3.89Å; N826-F828 PolarHBondContact O-N 3.42Å
827E88.6Confident90Very high35 Ų3541.1 Ų41.116%0.16420%0.203CC..  trans-96.865.2176.7-60.8-167.5-138.200110.4L590 T591 R782 A822 L825 D829 K830 A831L590-E827 VanDerWaalsContact C-OE2 3.3Å; L590-E827 VanDerWaalsContact CB-CD 3.44Å; L590-E827 WeakPolarHBondContact CB-OE2 3.18Å; T591-E827 WeakPolarHBondContact CG2-OE2 3.43Å; R782-E827 IonicContact CZ-OE1 3.33Å; R782-E827 IonicContact NH2-OE1 3.97Å; R782-E827 PolarHBondContact NH2-OE1 3.11Å; A822-E827 HydrophobicContact CB-CB 4.42Å; A822-E827 PolarHBondContact O-N 2.89Å; L825-E827 VanDerWaalsContact C-N 3.28Å; L825-E827 HydrophobicContact CB-CG 4.44Å; L825-E827 PolarHBondContact O-N 3.42Å; E827-D829 PolarHBondContact O-N 3.34Å; E827-K830 HydrophobicContact CB-CB 4.49Å; E827-K830 PolarHBondContact O-N 2.89Å; E827-A831 PolarHBondContact O-N 3.29Å
828F91.7Very high90Very high49 Ų4941 Ų4122%0.21520%0.203CC..Hα-helixtrans-66.5-32.9-165.8-54.5-59.3000115.2M823 N826 K830 A831 Q832 M847 L851M823-F828 HydrophobicContact CG-CD1 4.44Å; M823-F828 HydrophobicContact CG-CE1 4.37Å; N826-F828 HydrophobicContact CB-CE2 4.06Å; N826-F828 HydrophobicContact CB-CZ 3.89Å; N826-F828 PolarHBondContact O-N 3.42Å; F828-K830 VanDerWaalsContact C-N 3.34Å; F828-A831 PolarHBondContact O-N 3.25Å; F828-Q832 PolarHBondContact O-N 2.91Å; F828-M847 HydrophobicContact CB-CE 4.4Å; F828-M847 HydrophobicContact CB-SD 4.44Å; F828-M847 HydrophobicContact CD1-CG 4.48Å; F828-M847 HydrophobicContact CD1-SD 4.04Å; F828-M847 WeakPolarHBondContact O-CE 3.28Å; F828-L851 HydrophobicContact CB-CD1 3.91Å; F828-L851 HydrophobicContact CD1-CD1 3.47Å; F828-L851 VanDerWaalsContact CD1-CD1 3.47Å; F828-L851 HydrophobicContact CD1-CD2 4.29Å; F828-L851 HydrophobicContact CD1-CG 4.45Å; F828-L851 HydrophobicContact CD2-CD1 3.85Å; F828-L851 HydrophobicContact CD2-CD2 4.36Å; F828-L851 HydrophobicContact CE1-CD1 3.87Å; F828-L851 HydrophobicContact CE1-CD2 3.8Å; F828-L851 HydrophobicContact CE1-CG 4.4Å; F828-L851 HydrophobicContact CE2-CD1 4.22Å; F828-L851 HydrophobicContact CE2-CD2 3.88Å; F828-L851 HydrophobicContact CG-CD1 3.45Å; F828-L851 VanDerWaalsContact CG-CD1 3.45Å; F828-L851 HydrophobicContact CZ-CD1 4.23Å; F828-L851 HydrophobicContact CZ-CD2 3.58Å
829D89.5Confident90.2Very high114 Ų11444.7 Ų44.761%0.6123%0.229SC*.Hα-helixtrans-65.1-43.1176.1-63.3-35.2000110.6E827 Q832 E833 R848E827-D829 PolarHBondContact O-N 3.34Å; D829-Q832 PolarHBondContact O-N 3.32Å; D829-E833 PolarHBondContact O-N 3.1Å; D829-E833 VanDerWaalsContact O-N 3.12Å; D829-R848 IonicContact OD1-CZ 3.61Å; D829-R848 IonicContact OD1-NH1 3.62Å; D829-R848 IonicContact OD1-NH2 3.55Å; D829-R848 PolarHBondContact OD1-NH2 3.27Å
830K85.8Confident90.3Very high58 Ų5849.3 Ų49.325%0.25225%0.25SS..Hα-helixtrans-69.5-39.3176.7-165.369.8-1681650111.9L590 E827 F828 Q832 E833 L834L590-K830 HydrophobicContact CD2-CG 4.07Å; E827-K830 HydrophobicContact CB-CB 4.49Å; E827-K830 PolarHBondContact O-N 2.89Å; F828-K830 VanDerWaalsContact C-N 3.34Å; K830-Q832 VanDerWaalsContact C-N 3.3Å; K830-Q832 PolarHBondContact O-N 3.09Å; K830-E833 IonicContact NZ-OE2 3.66Å; K830-E833 PolarHBondContact NZ-OE2 3.49Å; K830-E833 PolarHBondContact O-N 3.33Å; K830-L834 HydrophobicContact CG-CD1 3.95Å; K830-L834 HydrophobicContact CG-CG 4.39Å; K830-L834 WeakPolarHBondContact O-CB 3.39Å; K830-L834 VanDerWaalsContact O-CG 3.28Å; K830-L834 WeakPolarHBondContact O-CG 3.26Å; K830-L834 PolarHBondContact O-N 3.21Å
831A90.6Very high90.2Very high0 Ų049.2 Ų49.20%026%0.256CS..Hα-helixtrans-57-44.4173.400000111.3G819 A822 M823 E827 F828 L834 F835 M847G819-A831 WeakPolarHBondContact O-CB 3.49Å; A822-A831 HydrophobicContact CB-CB 3.85Å; M823-A831 HydrophobicContact CB-CB 4.1Å; E827-A831 PolarHBondContact O-N 3.29Å; F828-A831 PolarHBondContact O-N 3.25Å; A831-L834 PolarHBondContact O-N 2.87Å; A831-F835 HydrophobicContact CB-CD2 4.29Å; A831-F835 HydrophobicContact CB-CE2 3.99Å; A831-F835 WeakPolarHBondContact O-CB 3.39Å; A831-F835 WeakPolarHBondContact O-CD2 3.41Å; A831-F835 VanDerWaalsContact O-CG 3.23Å; A831-F835 WeakPolarHBondContact O-CG 3.37Å; A831-F835 PolarHBondContact O-N 3.29Å; A831-M847 HydrophobicContact CB-CE 4.14Å; A831-M847 HydrophobicContact CB-SD 3.62Å
832Q92.7Very high90.3Very high43 Ų4352.7 Ų52.720%0.20127%0.274CS..Hα-helixtrans-60.5-48.2175.9172.2174.1-46.800112.1F828 D829 K830 L834 F835 L836 A844 M847F828-Q832 PolarHBondContact O-N 2.91Å; D829-Q832 PolarHBondContact O-N 3.32Å; K830-Q832 VanDerWaalsContact C-N 3.3Å; K830-Q832 PolarHBondContact O-N 3.09Å; Q832-L834 VanDerWaalsContact C-N 3.31Å; Q832-L834 PolarHBondContact O-N 3.18Å; Q832-F835 PolarHBondContact O-N 2.74Å; Q832-L836 HydrophobicContact CG-CD1 3.83Å; Q832-L836 HydrophobicContact CG-CG 4.31Å; Q832-L836 WeakPolarHBondContact O-CB 3.36Å; Q832-L836 WeakPolarHBondContact O-CG 3.23Å; Q832-L836 PolarHBondContact O-N 3.32Å; Q832-A844 HydrophobicContact CG-CB 4.21Å; Q832-M847 HydrophobicContact CB-CE 3.94Å
833E89.9Confident90.4Very high99 Ų9953 Ų5346%0.46328%0.276SS..Hα-helixtrans-56.9-46.8176.7-70.7-179.8178.900111.6D829 K830 L836 I837D829-E833 PolarHBondContact O-N 3.1Å; D829-E833 VanDerWaalsContact O-N 3.12Å; K830-E833 IonicContact NZ-OE2 3.66Å; K830-E833 PolarHBondContact NZ-OE2 3.49Å; K830-E833 PolarHBondContact O-N 3.33Å; E833-L836 PolarHBondContact O-N 2.92Å; E833-I837 WeakPolarHBondContact O-CD1 3.04Å; E833-I837 WeakPolarHBondContact O-CG1 3.48Å; E833-I837 PolarHBondContact O-N 3.3Å
834L88.3Confident90.5Very high4 Ų450.2 Ų50.22%0.02126%0.263CS..Hα-helixtrans-66.6-42.9-178.7-70.2169000111.6L590 I661 Y815 A818 A822 K830 A831 Q832 I837 S838L590-L834 HydrophobicContact CD2-CD1 4.07Å; I661-L834 HydrophobicContact CD1-CD2 4.3Å; I661-L834 HydrophobicContact CG2-CD2 4.02Å; Y815-L834 HydrophobicContact CD1-CD2 4.32Å; A818-L834 HydrophobicContact CB-CD1 3.85Å; A818-L834 HydrophobicContact CB-CD2 4.37Å; A822-L834 HydrophobicContact CB-CD1 4.28Å; K830-L834 HydrophobicContact CG-CD1 3.95Å; K830-L834 HydrophobicContact CG-CG 4.39Å; K830-L834 WeakPolarHBondContact O-CB 3.39Å; K830-L834 VanDerWaalsContact O-CG 3.28Å; K830-L834 WeakPolarHBondContact O-CG 3.26Å; K830-L834 PolarHBondContact O-N 3.21Å; A831-L834 PolarHBondContact O-N 2.87Å; Q832-L834 VanDerWaalsContact C-N 3.31Å; Q832-L834 PolarHBondContact O-N 3.18Å; L834-I837 PolarHBondContact O-N 3.32Å; L834-S838 VanDerWaalsContact O-CB 3.3Å; L834-S838 WeakPolarHBondContact O-CB 3.35Å; L834-S838 PolarHBondContact O-N 3.43Å
835F92.8Very high90.6Very high0 Ų049.4 Ų49.40%026%0.259CS..Hα-helixtrans-63.5-43.1176.1-71.7-42.2000112.1L816 G819 Y820 M823 A831 Q832 I837 S838 P841 A843 A844 M847L816-F835 HydrophobicContact CD1-CD1 3.82Å; L816-F835 HydrophobicContact CD1-CE1 3.97Å; G819-F835 VanDerWaalsContact C-CE1 3.43Å; G819-F835 WeakPolarHBondContact O-CZ 3.22Å; Y820-F835 AromaticContact CD1-CE1 3.84Å; Y820-F835 HydrophobicContact CD1-CE1 3.84Å; Y820-F835 AromaticContact CD1-CZ 3.61Å; Y820-F835 HydrophobicContact CD1-CZ 3.61Å; Y820-F835 AromaticContact CD2-CE1 3.96Å; Y820-F835 HydrophobicContact CD2-CE1 3.96Å; Y820-F835 AromaticContact CE1-CE1 3.97Å; Y820-F835 HydrophobicContact CE1-CE1 3.97Å; Y820-F835 AromaticContact CE1-CZ 3.89Å; Y820-F835 HydrophobicContact CE1-CZ 3.89Å; Y820-F835 HydrophobicContact CE2-CE1 4.1Å; Y820-F835 AromaticContact CG-CE1 3.82Å; Y820-F835 HydrophobicContact CG-CE1 3.82Å; Y820-F835 AromaticContact CG-CZ 3.95Å; Y820-F835 HydrophobicContact CG-CZ 3.95Å; M823-F835 HydrophobicContact CB-CE2 4.42Å; M823-F835 HydrophobicContact CB-CZ 4.43Å; M823-F835 HydrophobicContact SD-CE2 4.24Å; M823-F835 HydrophobicContact SD-CZ 4.32Å; A831-F835 HydrophobicContact CB-CD2 4.29Å; A831-F835 HydrophobicContact CB-CE2 3.99Å; A831-F835 WeakPolarHBondContact O-CB 3.39Å; A831-F835 WeakPolarHBondContact O-CD2 3.41Å; A831-F835 VanDerWaalsContact O-CG 3.23Å; A831-F835 WeakPolarHBondContact O-CG 3.37Å; A831-F835 PolarHBondContact O-N 3.29Å; Q832-F835 PolarHBondContact O-N 2.74Å; F835-I837 VanDerWaalsContact C-N 3.26Å; F835-I837 PolarHBondContact O-N 3.21Å; F835-S838 WeakPolarHBondContact O-CB 3.34Å; F835-S838 PolarHBondContact O-N 3.11Å; F835-S838 PolarHBondContact O-OG 3.15Å; F835-P841 WeakPolarHBondContact O-CA 3.12Å; F835-A843 HydrophobicContact CB-CB 4.48Å; F835-A843 HydrophobicContact CD1-CB 3.88Å; F835-A843 HydrophobicContact CD2-CB 4.28Å; F835-A843 HydrophobicContact CE1-CB 4.11Å; F835-A843 HydrophobicContact CE2-CB 4.49Å; F835-A843 HydrophobicContact CG-CB 3.98Å; F835-A843 HydrophobicContact CZ-CB 4.41Å; F835-A844 HydrophobicContact CB-CB 3.89Å; F835-A844 HydrophobicContact CD2-CB 4.44Å; F835-M847 HydrophobicContact CD2-SD 4.34Å; F835-M847 HydrophobicContact CE2-SD 3.88Å
836L90.9Very high90.8Very high73 Ų7352.7 Ų52.738%0.38227%0.273SS..Hα-helixtrans-62.2-31.5179.8-74.3173.3000113.3Q832 E833 P841 A844 L860 L864Q832-L836 HydrophobicContact CG-CD1 3.83Å; Q832-L836 HydrophobicContact CG-CG 4.31Å; Q832-L836 WeakPolarHBondContact O-CB 3.36Å; Q832-L836 WeakPolarHBondContact O-CG 3.23Å; Q832-L836 PolarHBondContact O-N 3.32Å; E833-L836 PolarHBondContact O-N 2.92Å; L836-P841 HydrophobicContact CD2-CB 4.34Å; L836-A844 HydrophobicContact CD2-CB 4.38Å; L836-A844 HydrophobicContact CG-CB 4.33Å; L836-L860 HydrophobicContact CD2-CD2 4.16Å; L836-L864 HydrophobicContact CD2-CD1 4.12Å
837I88.7Confident91Very high117 Ų11748.3 Ų48.360%0.625%0.249SC*.Hα-helixtrans-88.6-15.9177.2-56.4164.5000111.3Y815 E833 L834 F835Y815-I837 HydrophobicContact CD1-CB 4.49Å; Y815-I837 HydrophobicContact CD1-CG2 4.13Å; Y815-I837 HydrophobicContact CE1-CG2 4.08Å; E833-I837 WeakPolarHBondContact O-CD1 3.04Å; E833-I837 WeakPolarHBondContact O-CG1 3.48Å; E833-I837 PolarHBondContact O-N 3.3Å; L834-I837 PolarHBondContact O-N 3.32Å; F835-I837 VanDerWaalsContact C-N 3.26Å; F835-I837 PolarHBondContact O-N 3.21Å
838S90Very high91.3Very high14 Ų1447.1 Ų47.110%0.09824%0.243CC..SBendtrans-74.7-179.8-178.982.80000113.5L834 F835 E840L834-S838 VanDerWaalsContact O-CB 3.3Å; L834-S838 WeakPolarHBondContact O-CB 3.35Å; L834-S838 PolarHBondContact O-N 3.43Å; F835-S838 WeakPolarHBondContact O-CB 3.34Å; F835-S838 PolarHBondContact O-N 3.11Å; F835-S838 PolarHBondContact O-OG 3.15Å; S838-E840 PolarHBondContact O-N 3.32Å; S838-E840 PolarHBondContact OG-N 3.05Å; S838-E840 VanDerWaalsContact OG-N 3.13Å
839S90.5Very high91.3Very high77 Ų7747.5 Ų47.554%0.53824%0.243SC..SBendtrans-68.9-16.4173.248.70000114N813N813-S839 VanDerWaalsContact ND2-CB 3.33Å; N813-S839 WeakPolarHBondContact ND2-CB 3.35Å; N813-S839 PolarHBondContact ND2-N 2.8Å; N813-S839 VanDerWaalsContact ND2-N 3.16Å; N813-S839 PolarHBondContact ND2-OG 3.29Å
840E91.7Very high91.4Very high96 Ų9647.9 Ų47.945%0.44925%0.245SC..  trans-129.277.2-177-66.2-171.9166.400111.6L816 S838 I842 A843L816-E840 HydrophobicContact CD1-CB 4Å; L816-E840 HydrophobicContact CD2-CB 4.34Å; L816-E840 HydrophobicContact CD2-CG 4.14Å; S838-E840 PolarHBondContact O-N 3.32Å; S838-E840 PolarHBondContact OG-N 3.05Å; S838-E840 VanDerWaalsContact OG-N 3.13Å; E840-I842 PolarHBondContact O-N 3.13Å; E840-A843 WeakPolarHBondContact O-CB 3.47Å; E840-A843 PolarHBondContact O-N 3.11Å
841P91.9Very high91.6Very high46 Ų4647.6 Ų47.630%0.29925%0.246SC..THydrogen-bonded Turntrans-66.3-20.6-179.427.2-35.5000113.3F835 L836 A843 A844 L864F835-P841 WeakPolarHBondContact O-CA 3.12Å; L836-P841 HydrophobicContact CD2-CB 4.34Å; P841-A843 PolarHBondContact O-N 2.85Å; P841-A844 WeakPolarHBondContact O-CB 3.32Å; P841-A844 PolarHBondContact O-N 3.48Å; P841-L864 HydrophobicContact CB-CD2 4.01Å; P841-L864 HydrophobicContact CG-CD2 4.27Å; P841-L864 WeakPolarHBondContact O-CD1 3.28Å
842I92.2Very high91.6Very high73 Ų7351.8 Ų51.837%0.37427%0.269SS..Hα-helixtrans-66.9-23.9179.9-149.8150.2000112.7E840 A844 L845 E846 A865E840-I842 PolarHBondContact O-N 3.13Å; I842-A844 PolarHBondContact O-N 3.34Å; I842-L845 HydrophobicContact CG1-CD2 4.46Å; I842-L845 WeakPolarHBondContact O-CB 3.34Å; I842-L845 PolarHBondContact O-N 3.38Å; I842-E846 PolarHBondContact O-N 2.9Å; I842-E846 VanDerWaalsContact O-N 3.09Å; I842-A865 HydrophobicContact CD1-CB 3.96Å
843A92.5Very high91.6Very high7 Ų753.4 Ų53.46%0.05828%0.276CS..Hα-helixtrans-59.3-31174.700000112.1F835 E840 P841 L845 E846 M847F835-A843 HydrophobicContact CB-CB 4.48Å; F835-A843 HydrophobicContact CD1-CB 3.88Å; F835-A843 HydrophobicContact CD2-CB 4.28Å; F835-A843 HydrophobicContact CE1-CB 4.11Å; F835-A843 HydrophobicContact CE2-CB 4.49Å; F835-A843 HydrophobicContact CG-CB 3.98Å; F835-A843 HydrophobicContact CZ-CB 4.41Å; E840-A843 WeakPolarHBondContact O-CB 3.47Å; E840-A843 PolarHBondContact O-N 3.11Å; P841-A843 PolarHBondContact O-N 2.85Å; A843-L845 VanDerWaalsContact C-N 3.34Å; A843-L845 PolarHBondContact O-N 3.05Å; A843-E846 PolarHBondContact O-N 3.16Å; A843-M847 VanDerWaalsContact O-CB 3.25Å; A843-M847 WeakPolarHBondContact O-CB 3.47Å; A843-M847 PolarHBondContact O-N 3.33Å
844A93.1Very high91.7Very high0 Ų049.8 Ų49.80%026%0.258CS..Hα-helixtrans-64.1-3917400000112.3Q832 F835 L836 P841 I842 R848 L860Q832-A844 HydrophobicContact CG-CB 4.21Å; F835-A844 HydrophobicContact CB-CB 3.89Å; F835-A844 HydrophobicContact CD2-CB 4.44Å; L836-A844 HydrophobicContact CD2-CB 4.38Å; L836-A844 HydrophobicContact CG-CB 4.33Å; P841-A844 WeakPolarHBondContact O-CB 3.32Å; P841-A844 PolarHBondContact O-N 3.48Å; I842-A844 PolarHBondContact O-N 3.34Å; A844-R848 WeakPolarHBondContact O-CG 3.49Å; A844-R848 PolarHBondContact O-N 2.67Å; A844-L860 HydrophobicContact CB-CD1 4.28Å
845L93.4Very high91.8Very high5 Ų556 Ų563%0.02629%0.287CS..Hα-helixtrans-67.6-48.8177.4169.261.8000110.8I842 A843 M847 R848 R849 A857 L860 A861 L864 A865 I872I842-L845 HydrophobicContact CG1-CD2 4.46Å; I842-L845 WeakPolarHBondContact O-CB 3.34Å; I842-L845 PolarHBondContact O-N 3.38Å; A843-L845 VanDerWaalsContact C-N 3.34Å; A843-L845 PolarHBondContact O-N 3.05Å; L845-M847 VanDerWaalsContact C-N 3.33Å; L845-M847 PolarHBondContact O-N 3.16Å; L845-R848 PolarHBondContact O-N 3.29Å; L845-R849 WeakPolarHBondContact O-CB 3.26Å; L845-R849 PolarHBondContact O-N 3.4Å; L845-A857 HydrophobicContact CD1-CB 4.09Å; L845-A857 WeakPolarHBondContact CD1-O 3.27Å; L845-L860 HydrophobicContact CB-CB 4.22Å; L845-L860 HydrophobicContact CD1-CB 3.99Å; L845-A861 HydrophobicContact CD1-CB 3.84Å; L845-A861 HydrophobicContact CD2-CB 3.97Å; L845-L864 HydrophobicContact CB-CD1 4.47Å; L845-A865 HydrophobicContact CD2-CB 3.89Å; L845-I872 HydrophobicContact CD1-CD1 4.02Å
846E92.9Very high91.6Very high95 Ų9558.8 Ų58.844%0.44430%0.302SS..Hα-helixtrans-58.4-47.4178.5-67.8179.2167.400110.7I842 A843 R848 R849 D850I842-E846 PolarHBondContact O-N 2.9Å; I842-E846 VanDerWaalsContact O-N 3.09Å; A843-E846 PolarHBondContact O-N 3.16Å; E846-R848 PolarHBondContact O-N 2.64Å; E846-R849 PolarHBondContact O-N 3.21Å; E846-D850 WeakPolarHBondContact O-CB 3.48Å; E846-D850 VanDerWaalsContact O-CG 3.24Å; E846-D850 PolarHBondContact O-N 3.19Å
847M94Very high91.6Very high9 Ų955.3 Ų55.34%0.04428%0.284CS..Hα-helixtrans-56.3-49.6175.2179.6-170.470.200112.2M823 F828 A831 Q832 F835 A843 L845 R849 D850 L851M823-M847 HydrophobicContact CB-SD 4.23Å; M823-M847 HydrophobicContact CG-CG 4.05Å; M823-M847 HydrophobicContact CG-SD 3.83Å; M823-M847 HydrophobicContact SD-CB 4.12Å; M823-M847 HydrophobicContact SD-CG 3.81Å; M823-M847 HydrophobicContact SD-SD 4.06Å; F828-M847 HydrophobicContact CB-CE 4.4Å; F828-M847 HydrophobicContact CB-SD 4.44Å; F828-M847 HydrophobicContact CD1-CG 4.48Å; F828-M847 HydrophobicContact CD1-SD 4.04Å; F828-M847 WeakPolarHBondContact O-CE 3.28Å; A831-M847 HydrophobicContact CB-CE 4.14Å; A831-M847 HydrophobicContact CB-SD 3.62Å; Q832-M847 HydrophobicContact CB-CE 3.94Å; F835-M847 HydrophobicContact CD2-SD 4.34Å; F835-M847 HydrophobicContact CE2-SD 3.88Å; A843-M847 VanDerWaalsContact O-CB 3.25Å; A843-M847 WeakPolarHBondContact O-CB 3.47Å; A843-M847 PolarHBondContact O-N 3.33Å; L845-M847 VanDerWaalsContact C-N 3.33Å; L845-M847 PolarHBondContact O-N 3.16Å; M847-R849 VanDerWaalsContact C-N 3.32Å; M847-R849 PolarHBondContact O-N 3.41Å; M847-D850 PolarHBondContact O-N 3.01Å; M847-L851 HydrophobicContact CG-CD1 3.92Å; M847-L851 WeakPolarHBondContact O-CB 3.05Å; M847-L851 VanDerWaalsContact O-CG 3.27Å; M847-L851 WeakPolarHBondContact O-CG 3.11Å; M847-L851 PolarHBondContact O-N 2.96Å
848R94.2Very high91.7Very high10 Ų1050.3 Ų50.34%0.03826%0.258CS..Hα-helixtrans-66.1-34.7-179.5-73-70.7179.6172.9-15.6112.5D829 A844 L845 E846 L852 H853 D856 A857 L860D829-R848 IonicContact OD1-CZ 3.61Å; D829-R848 IonicContact OD1-NH1 3.62Å; D829-R848 IonicContact OD1-NH2 3.55Å; D829-R848 PolarHBondContact OD1-NH2 3.27Å; A844-R848 WeakPolarHBondContact O-CG 3.49Å; A844-R848 PolarHBondContact O-N 2.67Å; L845-R848 PolarHBondContact O-N 3.29Å; E846-R848 PolarHBondContact O-N 2.64Å; R848-L852 PolarHBondContact O-N 3.22Å; R848-H853 HydrophobicContact CB-CB 4.45Å; R848-H853 PolarHBondContact NH1-ND1 3.36Å; R848-H853 PolarHBondContact O-N 3.34Å; R848-D856 HydrophobicContact CB-CB 4.37Å; R848-D856 HydrophobicContact CG-CB 4.13Å; R848-D856 IonicContact CZ-OD2 2.88Å; R848-D856 IonicContact NE-OD2 3.7Å; R848-D856 IonicContact NH1-OD2 3.7Å; R848-D856 PolarHBondContact NH1-OD2 3.32Å; R848-A857 HydrophobicContact CB-CB 4.1Å; R848-L860 HydrophobicContact CB-CD1 4.2Å; R848-L860 HydrophobicContact CG-CD1 3.75Å
849R92.3Very high91.7Very high57 Ų5755.5 Ų55.522%0.21528%0.281CS..Hα-helixtrans-64.3-46.6173.7-173.2177.271.3-173.5-0.8110.8L845 E846 M847 L851 L852 W854 A857 E868 I872L845-R849 WeakPolarHBondContact O-CB 3.26Å; L845-R849 PolarHBondContact O-N 3.4Å; E846-R849 PolarHBondContact O-N 3.21Å; M847-R849 VanDerWaalsContact C-N 3.32Å; M847-R849 PolarHBondContact O-N 3.41Å; R849-L851 VanDerWaalsContact C-N 3.31Å; R849-L851 PolarHBondContact O-N 3.17Å; R849-L852 PolarHBondContact O-N 3.24Å; R849-W854 HydrophobicContact CG-CZ3 3.99Å; R849-A857 HydrophobicContact CB-CB 4.29Å; R849-E868 IonicContact NH1-OE2 3.83Å; R849-E868 PolarHBondContact NH1-OE2 2.79Å; R849-I872 HydrophobicContact CG-CG1 4.48Å
850D90.8Very high91.6Very high122 Ų12252.6 Ų52.665%0.65226%0.259SS*.Hα-helixtrans-67.3-30.9-178.9-68.4-8000112.6E846 M847 L852E846-D850 WeakPolarHBondContact O-CB 3.48Å; E846-D850 VanDerWaalsContact O-CG 3.24Å; E846-D850 PolarHBondContact O-N 3.19Å; M847-D850 PolarHBondContact O-N 3.01Å; D850-L852 PolarHBondContact O-N 2.7Å
851L90.5Very high91.6Very high52 Ų5248 Ų4827%0.27224%0.238SC..THydrogen-bonded Turntrans-77.1-0.4172.6-67.8170.3000114F828 M847 R849 H853F828-L851 HydrophobicContact CB-CD1 3.91Å; F828-L851 HydrophobicContact CD1-CD1 3.47Å; F828-L851 VanDerWaalsContact CD1-CD1 3.47Å; F828-L851 HydrophobicContact CD1-CD2 4.29Å; F828-L851 HydrophobicContact CD1-CG 4.45Å; F828-L851 HydrophobicContact CD2-CD1 3.85Å; F828-L851 HydrophobicContact CD2-CD2 4.36Å; F828-L851 HydrophobicContact CE1-CD1 3.87Å; F828-L851 HydrophobicContact CE1-CD2 3.8Å; F828-L851 HydrophobicContact CE1-CG 4.4Å; F828-L851 HydrophobicContact CE2-CD1 4.22Å; F828-L851 HydrophobicContact CE2-CD2 3.88Å; F828-L851 HydrophobicContact CG-CD1 3.45Å; F828-L851 VanDerWaalsContact CG-CD1 3.45Å; F828-L851 HydrophobicContact CZ-CD1 4.23Å; F828-L851 HydrophobicContact CZ-CD2 3.58Å; M847-L851 HydrophobicContact CG-CD1 3.92Å; M847-L851 WeakPolarHBondContact O-CB 3.05Å; M847-L851 VanDerWaalsContact O-CG 3.27Å; M847-L851 WeakPolarHBondContact O-CG 3.11Å; M847-L851 PolarHBondContact O-N 2.96Å; R849-L851 VanDerWaalsContact C-N 3.31Å; R849-L851 PolarHBondContact O-N 3.17Å; L851-H853 PolarHBondContact O-CD2 3.43Å; L851-H853 PolarHBondContact O-N 3.28Å
852L91Very high91.4Very high89 Ų8952.3 Ų52.347%0.46625%0.248SC..THydrogen-bonded Turntrans61.922.8-175.5-44175.8000113.4R848 R849 D850 W854R848-L852 PolarHBondContact O-N 3.22Å; R849-L852 PolarHBondContact O-N 3.24Å; D850-L852 PolarHBondContact O-N 2.7Å; L852-W854 HydrophobicContact CB-CZ2 4.26Å; L852-W854 HydrophobicContact CD2-CH2 4.01Å; L852-W854 HydrophobicContact CD2-CZ2 3.46Å; L852-W854 VanDerWaalsContact CD2-CZ2 3.46Å; L852-W854 HydrophobicContact CG-CZ2 4.44Å; L852-W854 PolarHBondContact O-N 2.84Å; L852-W854 PolarHBondContact O-NE1 2.97Å
853H92Very high91Very high77 Ų7755.3 Ų55.336%0.35627%0.265SS..  trans-82.467.5173.9-67.1-177.9000109.6R848 L851 E855 D856 A857R848-H853 HydrophobicContact CB-CB 4.45Å; R848-H853 PolarHBondContact NH1-ND1 3.36Å; R848-H853 PolarHBondContact O-N 3.34Å; L851-H853 PolarHBondContact O-CD2 3.43Å; L851-H853 PolarHBondContact O-N 3.28Å; H853-E855 VanDerWaalsContact C-N 3.34Å; H853-E855 PolarHBondContact O-N 3.12Å; H853-D856 HydrophobicContact CB-CB 4.26Å; H853-D856 PolarHBondContact O-N 3.2Å; H853-A857 WeakPolarHBondContact O-CB 3.37Å; H853-A857 PolarHBondContact O-N 3.44Å
854W92.2Very high90.8Very high22 Ų2257.8 Ų57.88%0.08328%0.277CS..Hα-helixtrans-60.2-36.2-166.1-58.5111.1000114.9R849 L852 L858 I872 E875 Y876 E879R849-W854 HydrophobicContact CG-CZ3 3.99Å; L852-W854 HydrophobicContact CB-CZ2 4.26Å; L852-W854 HydrophobicContact CD2-CH2 4.01Å; L852-W854 HydrophobicContact CD2-CZ2 3.46Å; L852-W854 VanDerWaalsContact CD2-CZ2 3.46Å; L852-W854 HydrophobicContact CG-CZ2 4.44Å; L852-W854 PolarHBondContact O-N 2.84Å; L852-W854 PolarHBondContact O-NE1 2.97Å; W854-L858 WeakPolarHBondContact O-CB 3.34Å; W854-L858 VanDerWaalsContact O-CG 3.25Å; W854-L858 WeakPolarHBondContact O-CG 3.31Å; W854-L858 PolarHBondContact O-N 3.45Å; W854-I872 HydrophobicContact CE3-CG2 3.92Å; W854-I872 HydrophobicContact CZ3-CG2 4.27Å; W854-E875 HydrophobicContact CH2-CB 3.49Å; W854-E875 VanDerWaalsContact CH2-CB 3.49Å; W854-E875 HydrophobicContact CZ2-CB 4.38Å; W854-E875 HydrophobicContact CZ3-CB 3.74Å; W854-Y876 HydrophobicContact CB-CD1 3.65Å; W854-Y876 HydrophobicContact CB-CD2 3.58Å; W854-Y876 HydrophobicContact CB-CE1 3.75Å; W854-Y876 HydrophobicContact CB-CE2 3.68Å; W854-Y876 HydrophobicContact CB-CG 3.56Å; W854-Y876 AromaticContact CD1-CD2 3.15Å; W854-Y876 AromaticContact CD1-CE2 3.34Å; W854-Y876 AromaticContact CD1-CG 3.93Å; W854-Y876 AromaticContact CD2-CD2 3.91Å; W854-Y876 HydrophobicContact CD2-CD2 3.91Å; W854-Y876 AromaticContact CD2-CG 3.98Å; W854-Y876 HydrophobicContact CD2-CG 3.98Å; W854-Y876 HydrophobicContact CG-CD1 4.16Å; W854-Y876 AromaticContact CG-CD2 3.24Å; W854-Y876 HydrophobicContact CG-CD2 3.24Å; W854-Y876 HydrophobicContact CG-CE1 4.48Å; W854-Y876 AromaticContact CG-CE2 3.65Å; W854-Y876 HydrophobicContact CG-CE2 3.65Å; W854-Y876 AromaticContact CG-CG 3.52Å; W854-Y876 HydrophobicContact CG-CG 3.52Å; W854-Y876 AromaticContact NE1-CD2 3.7Å; W854-E879 HydrophobicContact CZ2-CB 4.48Å
855E89.7Confident90.5Very high136 Ų13658.1 Ų58.164%0.63628%0.279SS*.Hα-helixtrans-67.9-47.5178.5-65.3-172.6172.700111.7H853 A857 L858 Q859H853-E855 VanDerWaalsContact C-N 3.34Å; H853-E855 PolarHBondContact O-N 3.12Å; E855-A857 VanDerWaalsContact C-N 3.34Å; E855-A857 PolarHBondContact O-N 2.92Å; E855-L858 PolarHBondContact O-N 2.83Å; E855-Q859 WeakPolarHBondContact O-CB 3.27Å; E855-Q859 PolarHBondContact O-N 3.26Å
856D89.1Confident90.2Very high58 Ų5861.1 Ų61.131%0.3130%0.299SS..Hα-helixtrans-60-45.5174.2-68.5-20.9000110.5R848 H853 L858 Q859 L860R848-D856 HydrophobicContact CB-CB 4.37Å; R848-D856 HydrophobicContact CG-CB 4.13Å; R848-D856 IonicContact CZ-OD2 2.88Å; R848-D856 IonicContact NE-OD2 3.7Å; R848-D856 IonicContact NH1-OD2 3.7Å; R848-D856 PolarHBondContact NH1-OD2 3.32Å; H853-D856 HydrophobicContact CB-CB 4.26Å; H853-D856 PolarHBondContact O-N 3.2Å; D856-L858 PolarHBondContact O-N 3.45Å; D856-Q859 PolarHBondContact O-N 3.39Å; D856-L860 WeakPolarHBondContact O-CB 3.4Å; D856-L860 VanDerWaalsContact O-CG 3.31Å; D856-L860 WeakPolarHBondContact O-CG 3.32Å; D856-L860 PolarHBondContact O-N 3.43Å
857A91.4Very high89.8Confident0 Ų062.4 Ų62.40%030%0.303CS..Hα-helixtrans-61.9-43.617800000111.5L845 R848 R849 H853 E855 Q859 L860 A861L845-A857 HydrophobicContact CD1-CB 4.09Å; L845-A857 WeakPolarHBondContact CD1-O 3.27Å; R848-A857 HydrophobicContact CB-CB 4.1Å; R849-A857 HydrophobicContact CB-CB 4.29Å; H853-A857 WeakPolarHBondContact O-CB 3.37Å; H853-A857 PolarHBondContact O-N 3.44Å; E855-A857 VanDerWaalsContact C-N 3.34Å; E855-A857 PolarHBondContact O-N 2.92Å; A857-Q859 VanDerWaalsContact C-N 3.35Å; A857-Q859 PolarHBondContact O-N 3.3Å; A857-L860 PolarHBondContact O-N 3.38Å; A857-A861 WeakPolarHBondContact O-CB 3.36Å; A857-A861 PolarHBondContact O-N 2.97Å
858L89.2Confident89.4Confident11 Ų1164.5 Ų64.56%0.05831%0.313CS..Hα-helixtrans-66.1-37.1175.7-76.2171.5000112W854 E855 D856 A861 R862 I869 I872 Y876W854-L858 WeakPolarHBondContact O-CB 3.34Å; W854-L858 VanDerWaalsContact O-CG 3.25Å; W854-L858 WeakPolarHBondContact O-CG 3.31Å; W854-L858 PolarHBondContact O-N 3.45Å; E855-L858 PolarHBondContact O-N 2.83Å; D856-L858 PolarHBondContact O-N 3.45Å; L858-A861 PolarHBondContact O-N 2.92Å; L858-R862 VanDerWaalsContact O-CG 3.3Å; L858-R862 WeakPolarHBondContact O-CG 3.48Å; L858-R862 PolarHBondContact O-N 2.72Å; L858-R862 VanDerWaalsContact O-N 3.08Å; L858-I869 HydrophobicContact CD2-CG2 4.17Å; L858-I872 HydrophobicContact CD2-CB 4.08Å; L858-I872 HydrophobicContact CD2-CG2 3.67Å; L858-I872 HydrophobicContact CG-CG2 3.87Å; L858-Y876 HydrophobicContact CD1-CD1 4.13Å; L858-Y876 HydrophobicContact CD1-CE1 4.47Å
859Q90Very high89.2Confident123 Ų12364.9 Ų64.958%0.57532%0.316SS*.Hα-helixtrans-67.1-44.1176.5-174.4172.1-5.600111.5E855 D856 A857 R862E855-Q859 WeakPolarHBondContact O-CB 3.27Å; E855-Q859 PolarHBondContact O-N 3.26Å; D856-Q859 PolarHBondContact O-N 3.39Å; A857-Q859 VanDerWaalsContact C-N 3.35Å; A857-Q859 PolarHBondContact O-N 3.3Å; Q859-R862 PolarHBondContact O-N 3.32Å
860L90Very high89.1Confident17 Ų1762.2 Ų62.29%0.08931%0.306CS..Hα-helixtrans-63.7-43.5173.7-71.7172.6000111.2L836 A844 L845 R848 D856 A857 R862 N863 L864L836-L860 HydrophobicContact CD2-CD2 4.16Å; A844-L860 HydrophobicContact CB-CD1 4.28Å; L845-L860 HydrophobicContact CB-CB 4.22Å; L845-L860 HydrophobicContact CD1-CB 3.99Å; R848-L860 HydrophobicContact CB-CD1 4.2Å; R848-L860 HydrophobicContact CG-CD1 3.75Å; D856-L860 WeakPolarHBondContact O-CB 3.4Å; D856-L860 VanDerWaalsContact O-CG 3.31Å; D856-L860 WeakPolarHBondContact O-CG 3.32Å; D856-L860 PolarHBondContact O-N 3.43Å; A857-L860 PolarHBondContact O-N 3.38Å; L860-R862 VanDerWaalsContact C-N 3.33Å; L860-R862 PolarHBondContact O-N 2.95Å; L860-N863 PolarHBondContact O-N 3.12Å; L860-N863 VanDerWaalsContact O-N 3.12Å; L860-L864 HydrophobicContact CB-CD1 4.33Å; L860-L864 HydrophobicContact CD2-CD1 4.26Å; L860-L864 WeakPolarHBondContact O-CB 3.17Å; L860-L864 WeakPolarHBondContact O-CG 3.42Å; L860-L864 PolarHBondContact O-N 2.98Å
861A90.2Very high89.1Confident0 Ų058.1 Ų58.10%028%0.282CS..Hα-helixtrans-63.2-34.9179.900000112.9L845 A857 L858 N863 A865 P866 I869 I872L845-A861 HydrophobicContact CD1-CB 3.84Å; L845-A861 HydrophobicContact CD2-CB 3.97Å; A857-A861 WeakPolarHBondContact O-CB 3.36Å; A857-A861 PolarHBondContact O-N 2.97Å; L858-A861 PolarHBondContact O-N 2.92Å; A861-N863 PolarHBondContact O-N 3.4Å; A861-A865 CarbonylContact O-C 3.59Å; A861-A865 WeakPolarHBondContact O-CA 3.47Å; A861-A865 PolarHBondContact O-N 3.13Å; A861-P866 VanDerWaalsContact O-N 3.1Å; A861-I869 HydrophobicContact CB-CG1 3.94Å; A861-I872 HydrophobicContact CB-CD1 3.72Å
862R87.7Confident89.1Confident135 Ų13555.7 Ų55.751%0.50927%0.269SS..Hα-helixtrans-58.2-37.1174.6-76.3171.4-165.8178.27.3112.4L858 Q859 L860 I869L858-R862 VanDerWaalsContact O-CG 3.3Å; L858-R862 WeakPolarHBondContact O-CG 3.48Å; L858-R862 PolarHBondContact O-N 2.72Å; L858-R862 VanDerWaalsContact O-N 3.08Å; Q859-R862 PolarHBondContact O-N 3.32Å; L860-R862 VanDerWaalsContact C-N 3.33Å; L860-R862 PolarHBondContact O-N 2.95Å; R862-I869 HydrophobicContact CG-CD1 4.07Å
863N85.5Confident89.1Confident136 Ų13651.4 Ų51.473%0.72725%0.247SC*.Hα-helixtrans-91.7-38.1-176.8-64.3-16000112.2L860 A861L860-N863 PolarHBondContact O-N 3.12Å; L860-N863 VanDerWaalsContact O-N 3.12Å; A861-N863 PolarHBondContact O-N 3.4Å
864L87.1Confident89.1Confident59 Ų5949.5 Ų49.531%0.30924%0.237SC..Hα-helixtrans-98.9-40.9-170.9-61.7174.1000113.8L836 P841 L845 L860L836-L864 HydrophobicContact CD2-CD1 4.12Å; P841-L864 HydrophobicContact CB-CD2 4.01Å; P841-L864 HydrophobicContact CG-CD2 4.27Å; P841-L864 WeakPolarHBondContact O-CD1 3.28Å; L845-L864 HydrophobicContact CB-CD1 4.47Å; L860-L864 HydrophobicContact CB-CD1 4.33Å; L860-L864 HydrophobicContact CD2-CD1 4.26Å; L860-L864 WeakPolarHBondContact O-CB 3.17Å; L860-L864 WeakPolarHBondContact O-CG 3.42Å; L860-L864 PolarHBondContact O-N 2.98Å
865A86.9Confident89.1Confident7 Ų751.2 Ų51.26%0.05825%0.246CC..  trans-151.275.4-172.900000113.7I842 L845 A861 K867 E868I842-A865 HydrophobicContact CD1-CB 3.96Å; L845-A865 HydrophobicContact CD2-CB 3.89Å; A861-A865 CarbonylContact O-C 3.59Å; A861-A865 WeakPolarHBondContact O-CA 3.47Å; A861-A865 PolarHBondContact O-N 3.13Å; A865-K867 PolarHBondContact O-N 3.23Å; A865-E868 HydrophobicContact CB-CB 4.44Å; A865-E868 HydrophobicContact CB-CG 3.95Å; A865-E868 PolarHBondContact O-N 3.28Å
866P86.4Confident89.3Confident68 Ų6846.7 Ų46.744%0.44222%0.223SC..G310 helixtrans-60.8-22.2-175.6-26.735.1000115.4A861 E868 I869A861-P866 VanDerWaalsContact O-N 3.1Å; P866-E868 VanDerWaalsContact C-N 3.28Å; P866-E868 PolarHBondContact O-N 2.97Å; P866-I869 HydrophobicContact CB-CD1 4.31Å; P866-I869 WeakPolarHBondContact O-CB 3.21Å; P866-I869 WeakPolarHBondContact O-CG1 3.14Å; P866-I869 PolarHBondContact O-N 3.43Å
867K84.5Confident89.5Confident122 Ų12243.9 Ų43.953%0.5321%0.208SC..G310 helixtrans-69.2-22.1176.764175.4-175.3171.90113.8A865 P870A865-K867 PolarHBondContact O-N 3.23Å; K867-P870 WeakPolarHBondContact O-CD 3.49Å
868E86.7Confident89.5Confident53 Ų5348.1 Ų48.125%0.24823%0.229CC..G310 helixtrans-82.4-17.4179.7-65.8-64.513800112.1R849 A865 P866 F871 I872R849-E868 IonicContact NH1-OE2 3.83Å; R849-E868 PolarHBondContact NH1-OE2 2.79Å; A865-E868 HydrophobicContact CB-CB 4.44Å; A865-E868 HydrophobicContact CB-CG 3.95Å; A865-E868 PolarHBondContact O-N 3.28Å; P866-E868 VanDerWaalsContact C-N 3.28Å; P866-E868 PolarHBondContact O-N 2.97Å; E868-F871 PolarHBondContact O-N 3.15Å; E868-I872 HydrophobicContact CB-CD1 4.03Å; E868-I872 HydrophobicContact CB-CG1 4.47Å; E868-I872 WeakPolarHBondContact O-CG1 3.37Å; E868-I872 PolarHBondContact O-N 2.98Å
869I89.5Confident89.6Confident19 Ų1951.3 Ų51.310%0.09724%0.244CC..Hα-helixtrans-53.7-45.8-174.8-65173000112.8L858 A861 R862 P866 F871 I872 C873L858-I869 HydrophobicContact CD2-CG2 4.17Å; A861-I869 HydrophobicContact CB-CG1 3.94Å; R862-I869 HydrophobicContact CG-CD1 4.07Å; P866-I869 HydrophobicContact CB-CD1 4.31Å; P866-I869 WeakPolarHBondContact O-CB 3.21Å; P866-I869 WeakPolarHBondContact O-CG1 3.14Å; P866-I869 PolarHBondContact O-N 3.43Å; I869-F871 VanDerWaalsContact C-N 3.32Å; I869-F871 PolarHBondContact O-N 3.05Å; I869-I872 PolarHBondContact O-N 3.28Å; I869-C873 WeakPolarHBondContact O-CB 3.43Å; I869-C873 PolarHBondContact O-N 2.9Å; I869-C873 PolarHBondContact O-SG 2.66Å
870P90Very high89.6Confident1 Ų146.2 Ų46.21%0.00622%0.22CC..Hα-helixtrans-56.7-43.4176.5-28.238000113.3K867 C873 R874 A896 W931 H934K867-P870 WeakPolarHBondContact O-CD 3.49Å; P870-C873 PolarHBondContact O-N 3.08Å; P870-R874 PolarHBondContact O-N 3.16Å; P870-A896 WeakPolarHBondContact CB-O 3.49Å; P870-A896 VanDerWaalsContact O-CB 3.3Å; P870-A896 WeakPolarHBondContact O-CB 3.13Å; P870-W931 HydrophobicContact CB-CH2 4.03Å; P870-W931 HydrophobicContact CB-CZ3 4.05Å; P870-W931 HydrophobicContact CG-CH2 4.4Å; P870-H934 PolarHBondContact O-CE1 3.47Å
871F90.6Very high89.6Confident36 Ų3646.3 Ų46.316%0.15822%0.22CC..Hα-helixtrans-69.1-43.8-179.4-56.6-77.1000111.6E868 I869 C873 R874 E875 Y926 W931 H934E868-F871 PolarHBondContact O-N 3.15Å; I869-F871 VanDerWaalsContact C-N 3.32Å; I869-F871 PolarHBondContact O-N 3.05Å; F871-C873 VanDerWaalsContact C-N 3.33Å; F871-C873 PolarHBondContact O-N 2.95Å; F871-R874 PolarHBondContact O-N 3.19Å; F871-E875 WeakPolarHBondContact O-CG 3.21Å; F871-E875 PolarHBondContact O-N 3.11Å; F871-Y926 HydrophobicContact CE2-CD1 4.15Å; F871-Y926 AromaticContact CE2-CE1 3.83Å; F871-Y926 HydrophobicContact CE2-CE1 3.83Å; F871-Y926 HydrophobicContact CZ-CD1 4.06Å; F871-Y926 HydrophobicContact CZ-CE1 4.14Å; F871-W931 HydrophobicContact CE1-CE3 4.34Å; F871-W931 HydrophobicContact CE1-CZ3 4.44Å; F871-W931 AromaticContact CZ-CE3 3.97Å; F871-W931 HydrophobicContact CZ-CE3 3.97Å; F871-W931 HydrophobicContact CZ-CZ3 4.08Å; F871-H934 AromaticContact CD1-ND1 3.49Å; F871-H934 WeakPolarHBondContact CD1-ND1 3.49Å; F871-H934 HydrophobicContact CE1-CB 4.14Å; F871-H934 AromaticContact CE1-ND1 3.79Å
872I90.8Very high89.5Confident0 Ų051.4 Ų51.40%026%0.255CS..Hα-helixtrans-61.5-41.9174.8-61.2170.1000110.6L845 R849 W854 L858 A861 E868 I869 R874 E875 Y876L845-I872 HydrophobicContact CD1-CD1 4.02Å; R849-I872 HydrophobicContact CG-CG1 4.48Å; W854-I872 HydrophobicContact CE3-CG2 3.92Å; W854-I872 HydrophobicContact CZ3-CG2 4.27Å; L858-I872 HydrophobicContact CD2-CB 4.08Å; L858-I872 HydrophobicContact CD2-CG2 3.67Å; L858-I872 HydrophobicContact CG-CG2 3.87Å; A861-I872 HydrophobicContact CB-CD1 3.72Å; E868-I872 HydrophobicContact CB-CD1 4.03Å; E868-I872 HydrophobicContact CB-CG1 4.47Å; E868-I872 WeakPolarHBondContact O-CG1 3.37Å; E868-I872 PolarHBondContact O-N 2.98Å; I869-I872 PolarHBondContact O-N 3.28Å; I872-R874 VanDerWaalsContact C-N 3.35Å; I872-R874 PolarHBondContact O-N 3.21Å; I872-E875 PolarHBondContact O-N 3.39Å; I872-Y876 WeakPolarHBondContact O-CB 3.4Å; I872-Y876 PolarHBondContact O-N 2.98Å
873C91.6Very high89.4Confident0 Ų049.9 Ų49.90%026%0.261CS..Hα-helixtrans-63-39.6176.9-70.40000112.4I869 P870 F871 A877 A896I869-C873 WeakPolarHBondContact O-CB 3.43Å; I869-C873 PolarHBondContact O-N 2.9Å; I869-C873 PolarHBondContact O-SG 2.66Å; P870-C873 PolarHBondContact O-N 3.08Å; F871-C873 VanDerWaalsContact C-N 3.33Å; F871-C873 PolarHBondContact O-N 2.95Å; C873-A877 VanDerWaalsContact O-CB 3.31Å; C873-A877 WeakPolarHBondContact O-CB 3.4Å; C873-A877 PolarHBondContact O-N 2.9Å; C873-A896 HydrophobicContact CB-CB 3.98Å
874R92.8Very high89.4Confident36 Ų3645 Ų4514%0.13624%0.242CC..Hα-helixtrans-63.3-46.3176.3176.9-165.366.6-174.21.6111.2P870 F871 I872 A877 M878 Y893 A896 H934P870-R874 PolarHBondContact O-N 3.16Å; F871-R874 PolarHBondContact O-N 3.19Å; I872-R874 VanDerWaalsContact C-N 3.35Å; I872-R874 PolarHBondContact O-N 3.21Å; R874-A877 WeakPolarHBondContact O-CB 3.39Å; R874-A877 PolarHBondContact O-N 3.38Å; R874-M878 HydrophobicContact CG-SD 4.48Å; R874-M878 WeakPolarHBondContact O-CG 3.33Å; R874-M878 PolarHBondContact O-N 3.01Å; R874-Y893 HydrophobicContact CG-CD1 4.41Å; R874-Y893 HydrophobicContact CG-CE1 4.13Å; R874-A896 HydrophobicContact CB-CB 3.99Å; R874-H934 PolarHBondContact NH1-ND1 3.03Å
875E92.2Very high89.6Confident59 Ų5945.2 Ų45.228%0.27624%0.243SC..Hα-helixtrans-67.5-40-179.1-69.2172178.300111.2W854 F871 I872 A877 M878 E879W854-E875 HydrophobicContact CH2-CB 3.49Å; W854-E875 VanDerWaalsContact CH2-CB 3.49Å; W854-E875 HydrophobicContact CZ2-CB 4.38Å; W854-E875 HydrophobicContact CZ3-CB 3.74Å; F871-E875 WeakPolarHBondContact O-CG 3.21Å; F871-E875 PolarHBondContact O-N 3.11Å; I872-E875 PolarHBondContact O-N 3.39Å; E875-A877 VanDerWaalsContact C-N 3.33Å; E875-A877 PolarHBondContact O-N 2.87Å; E875-M878 WeakPolarHBondContact O-CB 3.35Å; E875-M878 PolarHBondContact O-N 3.25Å; E875-E879 PolarHBondContact O-N 3.19Å; E875-E879 VanDerWaalsContact O-N 3.14Å
876Y93.4Very high89.8Confident40 Ų4048.9 Ų48.916%0.15726%0.256CS..Hα-helixtrans-61.7-41.6172.2-169.8-165.6000112W854 L858 I872 M878 E879 M880 H892W854-Y876 HydrophobicContact CB-CD1 3.65Å; W854-Y876 HydrophobicContact CB-CD2 3.58Å; W854-Y876 HydrophobicContact CB-CE1 3.75Å; W854-Y876 HydrophobicContact CB-CE2 3.68Å; W854-Y876 HydrophobicContact CB-CG 3.56Å; W854-Y876 AromaticContact CD1-CD2 3.15Å; W854-Y876 AromaticContact CD1-CE2 3.34Å; W854-Y876 AromaticContact CD1-CG 3.93Å; W854-Y876 AromaticContact CD2-CD2 3.91Å; W854-Y876 HydrophobicContact CD2-CD2 3.91Å; W854-Y876 AromaticContact CD2-CG 3.98Å; W854-Y876 HydrophobicContact CD2-CG 3.98Å; W854-Y876 HydrophobicContact CG-CD1 4.16Å; W854-Y876 AromaticContact CG-CD2 3.24Å; W854-Y876 HydrophobicContact CG-CD2 3.24Å; W854-Y876 HydrophobicContact CG-CE1 4.48Å; W854-Y876 AromaticContact CG-CE2 3.65Å; W854-Y876 HydrophobicContact CG-CE2 3.65Å; W854-Y876 AromaticContact CG-CG 3.52Å; W854-Y876 HydrophobicContact CG-CG 3.52Å; W854-Y876 AromaticContact NE1-CD2 3.7Å; L858-Y876 HydrophobicContact CD1-CD1 4.13Å; L858-Y876 HydrophobicContact CD1-CE1 4.47Å; I872-Y876 WeakPolarHBondContact O-CB 3.4Å; I872-Y876 PolarHBondContact O-N 2.98Å; Y876-M878 VanDerWaalsContact C-N 3.31Å; Y876-M878 PolarHBondContact O-N 2.87Å; Y876-E879 PolarHBondContact O-N 2.94Å; Y876-M880 HydrophobicContact CD1-CE 4Å; Y876-M880 HydrophobicContact CD2-CE 3.89Å; Y876-M880 HydrophobicContact CD2-CG 4.17Å; Y876-M880 HydrophobicContact CE1-CE 3.47Å; Y876-M880 VanDerWaalsContact CE1-CE 3.47Å; Y876-M880 HydrophobicContact CE2-CE 3.33Å; Y876-M880 HydrophobicContact CE2-CG 4.09Å; Y876-M880 HydrophobicContact CG-CE 4.21Å; Y876-M880 WeakPolarHBondContact O-CG 3.48Å; Y876-M880 PolarHBondContact O-N 3.12Å; Y876-M880 WeakPolarHBondContact OH-CE 3.29Å; Y876-H892 AromaticContact CD1-CE1 3.65Å; Y876-H892 AromaticContact CD1-ND1 3.9Å; Y876-H892 AromaticContact CE1-CE1 3.8Å; Y876-H892 AromaticContact CE1-NE2 3.9Å
877A92.8Very high90Very high0 Ų050 Ų500%026%0.262CS..Hα-helixtrans-61.8-37.9175.500000112.6C873 R874 E875 E879 M880 E881 A889 H892 Y893C873-A877 VanDerWaalsContact O-CB 3.31Å; C873-A877 WeakPolarHBondContact O-CB 3.4Å; C873-A877 PolarHBondContact O-N 2.9Å; R874-A877 WeakPolarHBondContact O-CB 3.39Å; R874-A877 PolarHBondContact O-N 3.38Å; E875-A877 VanDerWaalsContact C-N 3.33Å; E875-A877 PolarHBondContact O-N 2.87Å; A877-E879 VanDerWaalsContact C-N 3.34Å; A877-M880 PolarHBondContact O-N 3.42Å; A877-E881 WeakPolarHBondContact O-CB 3.3Å; A877-E881 PolarHBondContact O-N 3.4Å; A877-A889 WeakPolarHBondContact CB-O 3.46Å; A877-A889 WeakPolarHBondContact O-CB 3.38Å; A877-H892 HydrophobicContact CB-CB 3.64Å; A877-Y893 HydrophobicContact CB-CD1 3.61Å; A877-Y893 HydrophobicContact CB-CD2 3.69Å; A877-Y893 HydrophobicContact CB-CE1 3.66Å; A877-Y893 HydrophobicContact CB-CE2 3.73Å; A877-Y893 HydrophobicContact CB-CG 3.62Å
878M91.5Very high90.2Very high88 Ų8847.1 Ų47.143%0.43325%0.252SS..Hα-helixtrans-62.3-42.2175.4-71.9173.366.100111.6R874 E875 Y876 E881 C882 Y893R874-M878 HydrophobicContact CG-SD 4.48Å; R874-M878 WeakPolarHBondContact O-CG 3.33Å; R874-M878 PolarHBondContact O-N 3.01Å; E875-M878 WeakPolarHBondContact O-CB 3.35Å; E875-M878 PolarHBondContact O-N 3.25Å; Y876-M878 VanDerWaalsContact C-N 3.31Å; Y876-M878 PolarHBondContact O-N 2.87Å; M878-E881 WeakPolarHBondContact O-CB 3.4Å; M878-E881 PolarHBondContact O-N 2.99Å; M878-C882 PolarHBondContact O-N 2.96Å; M878-C882 PolarHBondContact O-SG 2.94Å; M878-Y893 VanDerWaalsContact CA-OH 3.32Å; M878-Y893 WeakPolarHBondContact CA-OH 3.19Å; M878-Y893 HydrophobicContact CG-CE1 4.07Å; M878-Y893 WeakPolarHBondContact CG-OH 3.37Å; M878-Y893 PolarHBondContact N-OH 2.77Å
879E90.8Very high90.4Very high78 Ų7844.6 Ų44.636%0.36424%0.24SC..Hα-helixtrans-67-41.8177.7-170.862.4-17000111.8W854 E875 Y876 A877 E881 C882 T883W854-E879 HydrophobicContact CZ2-CB 4.48Å; E875-E879 PolarHBondContact O-N 3.19Å; E875-E879 VanDerWaalsContact O-N 3.14Å; Y876-E879 PolarHBondContact O-N 2.94Å; A877-E879 VanDerWaalsContact C-N 3.34Å; E879-E881 VanDerWaalsContact C-N 3.32Å; E879-E881 PolarHBondContact O-N 2.79Å; E879-C882 PolarHBondContact O-N 3.42Å; E879-T883 WeakPolarHBondContact O-CG2 3.12Å; E879-T883 PolarHBondContact O-N 3.46Å; E879-T883 PolarHBondContact O-OG1 3.15Å; E879-T883 VanDerWaalsContact O-OG1 3.06Å
880M90.2Very high90.5Very high17 Ų1745 Ų458%0.08424%0.243CC..Hα-helixtrans-61.8-39.8173.1-71.2-170.6-177.600112.5Y876 A877 C882 T883 G884 D885 N888 A889 H892Y876-M880 HydrophobicContact CD1-CE 4Å; Y876-M880 HydrophobicContact CD2-CE 3.89Å; Y876-M880 HydrophobicContact CD2-CG 4.17Å; Y876-M880 HydrophobicContact CE1-CE 3.47Å; Y876-M880 VanDerWaalsContact CE1-CE 3.47Å; Y876-M880 HydrophobicContact CE2-CE 3.33Å; Y876-M880 HydrophobicContact CE2-CG 4.09Å; Y876-M880 HydrophobicContact CG-CE 4.21Å; Y876-M880 WeakPolarHBondContact O-CG 3.48Å; Y876-M880 PolarHBondContact O-N 3.12Å; Y876-M880 WeakPolarHBondContact OH-CE 3.29Å; A877-M880 PolarHBondContact O-N 3.42Å; M880-C882 VanDerWaalsContact C-N 3.29Å; M880-C882 PolarHBondContact O-N 3.28Å; M880-T883 VanDerWaalsContact CA-OG1 3.29Å; M880-T883 WeakPolarHBondContact CA-OG1 3.42Å; M880-T883 PolarHBondContact O-N 3.4Å; M880-T883 PolarHBondContact O-OG1 3.03Å; M880-G884 PolarHBondContact O-N 3.25Å; M880-D885 HydrophobicContact CB-CB 4.49Å; M880-D885 PolarHBondContact O-N 3.23Å; M880-N888 HydrophobicContact CE-CB 4.15Å; M880-N888 VanDerWaalsContact SD-C 3.55Å; M880-N888 HydrophobicContact SD-CB 3.34Å; M880-N888 WeakPolarHBondContact SD-CB 3.47Å; M880-A889 HydrophobicContact CB-CB 3.79Å; M880-H892 VanDerWaalsContact CE-CD2 3.47Å; M880-H892 WeakPolarHBondContact CE-CD2 3.31Å; M880-H892 WeakPolarHBondContact CE-NE2 3.46Å; M880-H892 VanDerWaalsContact SD-CD2 3.57Å
881E90.9Very high90.6Very high18 Ų1849.7 Ų49.78%0.08427%0.266CS..Hα-helixtrans-60.8-41.4175.2-172.6-179.4176.800111A877 M878 E879 G884 A889 Y893 R944 R948A877-E881 WeakPolarHBondContact O-CB 3.3Å; A877-E881 PolarHBondContact O-N 3.4Å; M878-E881 WeakPolarHBondContact O-CB 3.4Å; M878-E881 PolarHBondContact O-N 2.99Å; E879-E881 VanDerWaalsContact C-N 3.32Å; E879-E881 PolarHBondContact O-N 2.79Å; E881-G884 PolarHBondContact O-N 3.12Å; E881-A889 HydrophobicContact CB-CB 4.09Å; E881-Y893 PolarHBondContact OE2-OH 3.3Å; E881-R944 WeakPolarHBondContact OE1-CD 3.4Å; E881-R944 IonicContact OE1-CZ 3.75Å; E881-R944 IonicContact OE1-NE 2.88Å; E881-R944 PolarHBondContact OE1-NE 3.28Å; E881-R944 IonicContact OE1-NH2 3.24Å; E881-R944 IonicContact OE2-CZ 2.64Å; E881-R944 IonicContact OE2-NE 2.72Å; E881-R944 PolarHBondContact OE2-NE 3.3Å; E881-R944 IonicContact OE2-NH2 2.79Å; E881-R944 PolarHBondContact OE2-NH2 2.99Å; E881-R948 VanDerWaalsContact CG-NH1 3.27Å; E881-R948 IonicContact OE1-CZ 2.9Å; E881-R948 IonicContact OE1-NH1 2.99Å; E881-R948 PolarHBondContact OE1-NH1 3.42Å; E881-R948 IonicContact OE1-NH2 2.71Å
882C86.8Confident90.5Very high108 Ų10848.8 Ų48.873%0.7326%0.262SS*.Hα-helixtrans-69.1-36.3178.7-67.20000112.9M878 E879 M880 G884M878-C882 PolarHBondContact O-N 2.96Å; M878-C882 PolarHBondContact O-SG 2.94Å; E879-C882 PolarHBondContact O-N 3.42Å; M880-C882 VanDerWaalsContact C-N 3.29Å; M880-C882 PolarHBondContact O-N 3.28Å; C882-G884 VanDerWaalsContact C-N 3.28Å; C882-G884 PolarHBondContact O-N 3.38Å
883T87.4Confident90.7Very high103 Ų10348.9 Ų48.963%0.63226%0.262SS*.Hα-helixtrans-77.4-12.5176.852.30000113.5E879 M880E879-T883 WeakPolarHBondContact O-CG2 3.12Å; E879-T883 PolarHBondContact O-N 3.46Å; E879-T883 PolarHBondContact O-OG1 3.15Å; E879-T883 VanDerWaalsContact O-OG1 3.06Å; M880-T883 VanDerWaalsContact CA-OG1 3.29Å; M880-T883 WeakPolarHBondContact CA-OG1 3.42Å; M880-T883 PolarHBondContact O-N 3.4Å; M880-T883 PolarHBondContact O-OG1 3.03Å
884G85.2Confident90.6Very high32 Ų3252.3 Ų52.333%0.3328%0.278SS..THydrogen-bonded Turntrans97.15.7174.900000115.1M880 E881 C882 Y886M880-G884 PolarHBondContact O-N 3.25Å; E881-G884 PolarHBondContact O-N 3.12Å; C882-G884 VanDerWaalsContact C-N 3.28Å; C882-G884 PolarHBondContact O-N 3.38Å; G884-Y886 VanDerWaalsContact C-N 3.31Å; G884-Y886 WeakPolarHBondContact O-CD2 3.21Å; G884-Y886 PolarHBondContact O-N 3.24Å; G884-Y886 VanDerWaalsContact O-N 3.08Å
885D90.2Very high90.4Very high64 Ų6455.2 Ų55.234%0.34229%0.289SS..  trans-84.973.9175.5-169.3-12.2000111.1M880 V887 N888 A889M880-D885 HydrophobicContact CB-CB 4.49Å; M880-D885 PolarHBondContact O-N 3.23Å; D885-V887 PolarHBondContact O-N 2.91Å; D885-N888 PolarHBondContact O-N 3.26Å; D885-N888 PolarHBondContact OD1-N 2.69Å; D885-N888 PolarHBondContact OD1-ND2 3.19Å; D885-N888 PolarHBondContact OD2-ND2 3.26Å; D885-A889 WeakPolarHBondContact O-CB 3.3Å; D885-A889 PolarHBondContact O-N 3.31Å
886Y91.5Very high90.1Very high84 Ų8452.4 Ų52.433%0.32928%0.276SS..Hα-helixtrans-66.5-25.8-173.4-50.7-51.1000113.6G884 L890 N945 R948G884-Y886 VanDerWaalsContact C-N 3.31Å; G884-Y886 WeakPolarHBondContact O-CD2 3.21Å; G884-Y886 PolarHBondContact O-N 3.24Å; G884-Y886 VanDerWaalsContact O-N 3.08Å; Y886-L890 VanDerWaalsContact O-CB 3.31Å; Y886-L890 WeakPolarHBondContact O-CB 3.48Å; Y886-L890 PolarHBondContact O-N 2.85Å; Y886-N945 WeakPolarHBondContact CD1-OD1 3.34Å; Y886-R948 HydrophobicContact CD2-CB 4.26Å; Y886-R948 VanDerWaalsContact CE1-CD 3.45Å; Y886-R948 HydrophobicContact CG-CB 4.37Å
887V90.8Very high89.8Confident93 Ų9353.1 Ų53.156%0.56428%0.282SS*.Hα-helixtrans-71.1-52.5180179.10000109.7D885 L890 M891 L949D885-V887 PolarHBondContact O-N 2.91Å; V887-L890 PolarHBondContact O-N 2.83Å; V887-M891 PolarHBondContact O-N 2.86Å; V887-M891 VanDerWaalsContact O-N 3.1Å; V887-L949 HydrophobicContact CG2-CD2 3.78Å
888N89Confident89.2Confident60 Ų6060.3 Ų60.332%0.32131%0.314SS..Hα-helixtrans-71.5-34.9179.5-67.8-40.9000111.2M880 D885 L890 M891 H892M880-N888 HydrophobicContact CE-CB 4.15Å; M880-N888 VanDerWaalsContact SD-C 3.55Å; M880-N888 HydrophobicContact SD-CB 3.34Å; M880-N888 WeakPolarHBondContact SD-CB 3.47Å; D885-N888 PolarHBondContact O-N 3.26Å; D885-N888 PolarHBondContact OD1-N 2.69Å; D885-N888 PolarHBondContact OD1-ND2 3.19Å; D885-N888 PolarHBondContact OD2-ND2 3.26Å; N888-L890 PolarHBondContact O-N 2.89Å; N888-M891 PolarHBondContact O-N 2.88Å; N888-H892 PolarHBondContact O-CD2 2.87Å; N888-H892 VanDerWaalsContact O-CD2 3.23Å; N888-H892 PolarHBondContact O-N 2.79Å
889A91.3Very high87.6Confident0 Ų059.6 Ų59.60%032%0.315CS..Hα-helixtrans-56.3-48.7171.900000111.8A877 M880 E881 D885 M891 H892 Y893A877-A889 WeakPolarHBondContact CB-O 3.46Å; A877-A889 WeakPolarHBondContact O-CB 3.38Å; M880-A889 HydrophobicContact CB-CB 3.79Å; E881-A889 HydrophobicContact CB-CB 4.09Å; D885-A889 WeakPolarHBondContact O-CB 3.3Å; D885-A889 PolarHBondContact O-N 3.31Å; A889-M891 VanDerWaalsContact C-N 3.35Å; A889-M891 PolarHBondContact O-N 3.14Å; A889-H892 PolarHBondContact O-N 2.62Å; A889-Y893 WeakPolarHBondContact O-CD2 3.3Å; A889-Y893 PolarHBondContact O-N 3.26Å
890L91.4Very high85.8Confident28 Ų2858.7 Ų58.715%0.14732%0.317CS..Hα-helixtrans-59.7-46.1177-178.564.5000111.3Y886 V887 N888 H892 Y893 E894 I942 N945 L949Y886-L890 VanDerWaalsContact O-CB 3.31Å; Y886-L890 WeakPolarHBondContact O-CB 3.48Å; Y886-L890 PolarHBondContact O-N 2.85Å; V887-L890 PolarHBondContact O-N 2.83Å; N888-L890 PolarHBondContact O-N 2.89Å; L890-H892 VanDerWaalsContact C-N 3.34Å; L890-H892 PolarHBondContact O-N 2.84Å; L890-Y893 PolarHBondContact O-N 2.86Å; L890-E894 HydrophobicContact CD1-CG 4.47Å; L890-E894 WeakPolarHBondContact O-CG 3.41Å; L890-E894 PolarHBondContact O-N 2.72Å; L890-I942 HydrophobicContact CD1-CB 4.19Å; L890-I942 HydrophobicContact CD1-CG1 3.98Å; L890-I942 HydrophobicContact CD1-CG2 3.98Å; L890-N945 HydrophobicContact CB-CB 4.21Å; L890-N945 HydrophobicContact CD1-CB 4.4Å; L890-L949 HydrophobicContact CB-CD1 4.23Å; L890-L949 HydrophobicContact CD2-CD1 3.68Å
891M90.9Very high83.7Confident100 Ų10060.9 Ų60.949%0.49335%0.345SS..Hα-helixtrans-59.2-44.1178-176.7-175.264.600112V887 N888 A889 E894 R895V887-M891 PolarHBondContact O-N 2.86Å; V887-M891 VanDerWaalsContact O-N 3.1Å; N888-M891 PolarHBondContact O-N 2.88Å; A889-M891 VanDerWaalsContact C-N 3.35Å; A889-M891 PolarHBondContact O-N 3.14Å; M891-E894 PolarHBondContact O-N 2.89Å; M891-R895 WeakPolarHBondContact O-CB 3.49Å; M891-R895 PolarHBondContact O-N 2.89Å
892H90Very high81.2Confident17 Ų1766.3 Ų66.38%0.07937%0.374CS..Hα-helixtrans-71.3-34.3179.9-81.1-80.2000112.8Y876 A877 M880 N888 A889 L890 R895 A896Y876-H892 AromaticContact CD1-CE1 3.65Å; Y876-H892 AromaticContact CD1-ND1 3.9Å; Y876-H892 AromaticContact CE1-CE1 3.8Å; Y876-H892 AromaticContact CE1-NE2 3.9Å; A877-H892 HydrophobicContact CB-CB 3.64Å; M880-H892 VanDerWaalsContact CE-CD2 3.47Å; M880-H892 WeakPolarHBondContact CE-CD2 3.31Å; M880-H892 WeakPolarHBondContact CE-NE2 3.46Å; M880-H892 VanDerWaalsContact SD-CD2 3.57Å; N888-H892 PolarHBondContact O-CD2 2.87Å; N888-H892 VanDerWaalsContact O-CD2 3.23Å; N888-H892 PolarHBondContact O-N 2.79Å; A889-H892 PolarHBondContact O-N 2.62Å; L890-H892 VanDerWaalsContact C-N 3.34Å; L890-H892 PolarHBondContact O-N 2.84Å; H892-R895 PolarHBondContact O-N 2.87Å; H892-A896 WeakPolarHBondContact O-CB 3.2Å; H892-A896 PolarHBondContact O-N 2.71Å
893Y93.3Very high79Confident2 Ų268.9 Ų68.91%0.00838%0.381CS..Hα-helixtrans-64.1-42.7170-77.8-56.4000112.3R874 A877 M878 E881 A889 L890 R895 A896 L897 C938R874-Y893 HydrophobicContact CG-CD1 4.41Å; R874-Y893 HydrophobicContact CG-CE1 4.13Å; A877-Y893 HydrophobicContact CB-CD1 3.61Å; A877-Y893 HydrophobicContact CB-CD2 3.69Å; A877-Y893 HydrophobicContact CB-CE1 3.66Å; A877-Y893 HydrophobicContact CB-CE2 3.73Å; A877-Y893 HydrophobicContact CB-CG 3.62Å; M878-Y893 VanDerWaalsContact CA-OH 3.32Å; M878-Y893 WeakPolarHBondContact CA-OH 3.19Å; M878-Y893 HydrophobicContact CG-CE1 4.07Å; M878-Y893 WeakPolarHBondContact CG-OH 3.37Å; M878-Y893 PolarHBondContact N-OH 2.77Å; E881-Y893 PolarHBondContact OE2-OH 3.3Å; A889-Y893 WeakPolarHBondContact O-CD2 3.3Å; A889-Y893 PolarHBondContact O-N 3.26Å; L890-Y893 PolarHBondContact O-N 2.86Å; Y893-R895 VanDerWaalsContact C-N 3.31Å; Y893-R895 PolarHBondContact O-N 3.47Å; Y893-A896 WeakPolarHBondContact O-CB 3.11Å; Y893-A896 PolarHBondContact O-N 3.33Å; Y893-L897 PolarHBondContact O-N 2.83Å; Y893-C938 HydrophobicContact CD1-CB 4.28Å
894E89.7Confident76.5Confident71 Ų7170 Ų7033%0.33238%0.383SS..Hα-helixtrans-67.1-35.2176.3-71.2-173.4159.200111.7L890 M891 L897 I942 R954L890-E894 HydrophobicContact CD1-CG 4.47Å; L890-E894 WeakPolarHBondContact O-CG 3.41Å; L890-E894 PolarHBondContact O-N 2.72Å; M891-E894 PolarHBondContact O-N 2.89Å; E894-L897 PolarHBondContact O-N 2.74Å; E894-I942 HydrophobicContact CG-CD1 4.21Å; E894-I942 HydrophobicContact CG-CG1 4.47Å; E894-R954 IonicContact OE1-CZ 2.98Å; E894-R954 IonicContact OE1-NH1 3.61Å; E894-R954 PolarHBondContact OE1-NH1 2.89Å; E894-R954 VanDerWaalsContact OE1-NH1 3.08Å; E894-R954 IonicContact OE1-NH2 3.76Å; E894-R954 PolarHBondContact OE1-NH2 3.22Å
895R88.3Confident74.1Confident98 Ų9877.5 Ų77.537%0.3741%0.41SS..Hα-helixtrans-64.7-39.4171.9-172.7177.7-179168.66111.7M891 H892 Y893 L897 K898M891-R895 WeakPolarHBondContact O-CB 3.49Å; M891-R895 PolarHBondContact O-N 2.89Å; H892-R895 PolarHBondContact O-N 2.87Å; Y893-R895 VanDerWaalsContact C-N 3.31Å; Y893-R895 PolarHBondContact O-N 3.47Å; R895-L897 PolarHBondContact O-N 2.8Å; R895-K898 PolarHBondContact O-N 3.05Å; R895-K898 VanDerWaalsContact O-N 3.12Å
896A87.6Confident71.4Confident0 Ų082 Ų820%043%0.434CS..Hα-helixtrans-62.2-28.617700000112.7P870 C873 R874 H892 Y893 K898 H934P870-A896 WeakPolarHBondContact CB-O 3.49Å; P870-A896 VanDerWaalsContact O-CB 3.3Å; P870-A896 WeakPolarHBondContact O-CB 3.13Å; C873-A896 HydrophobicContact CB-CB 3.98Å; R874-A896 HydrophobicContact CB-CB 3.99Å; H892-A896 WeakPolarHBondContact O-CB 3.2Å; H892-A896 PolarHBondContact O-N 2.71Å; Y893-A896 WeakPolarHBondContact O-CB 3.11Å; Y893-A896 PolarHBondContact O-N 3.33Å; A896-K898 VanDerWaalsContact C-N 3.31Å; A896-K898 PolarHBondContact O-N 2.97Å; A896-H934 PolarHBondContact O-NE2 2.84Å
897L86Confident68.4Low55 Ų5588 Ų8829%0.28846%0.461SS..THydrogen-bonded Turntrans-77.1-11.8176.5-68.4177.1000114.4Y893 E894 R895 P899 I935 C938 I942Y893-L897 PolarHBondContact O-N 2.83Å; E894-L897 PolarHBondContact O-N 2.74Å; R895-L897 PolarHBondContact O-N 2.8Å; L897-P899 WeakPolarHBondContact O-CD 3.31Å; L897-I935 HydrophobicContact CD2-CB 4.35Å; L897-I935 HydrophobicContact CD2-CG1 4.08Å; L897-I935 HydrophobicContact CD2-CG2 4.27Å; L897-C938 HydrophobicContact CD1-CB 4.49Å; L897-C938 HydrophobicContact CD2-CB 3.71Å; L897-C938 HydrophobicContact CG-CB 3.98Å; L897-I942 HydrophobicContact CD1-CD1 3.5Å
898K79.4Confident65.4Low151 Ų15188.3 Ų88.366%0.65747%0.468SS*.SBendtrans-94.7110.7179.3-65.9179.4-175.9177.20109.6R895 A896 S900R895-K898 PolarHBondContact O-N 3.05Å; R895-K898 VanDerWaalsContact O-N 3.12Å; A896-K898 VanDerWaalsContact C-N 3.31Å; A896-K898 PolarHBondContact O-N 2.97Å; K898-S900 PolarHBondContact O-N 3.32Å
899P58.7Low62.4Low72 Ų7292.5 Ų92.547%0.46849%0.49SS..  trans-63.3120.6172.8-12.726.7000108.4L897 G901 W931L897-P899 WeakPolarHBondContact O-CD 3.31Å; P899-G901 PolarHBondContact O-N 2.98Å; P899-W931 HydrophobicContact CG-CZ2 4.38Å
900S53.7Low59.5Low59 Ų59103.9 Ų103.941%0.41353%0.532SS..SBendtrans-45.4105-174.6-46.30000112.7K898K898-S900 PolarHBondContact O-N 3.32Å
901G45.8Very low56.3Low64 Ų64109.8 Ų109.866%0.6656%0.564SS**  trans-174.243.2-177.100000113.3P899P899-G901 PolarHBondContact O-N 2.98Å
902D38.8Very low53.4Low131 Ų131110.6 Ų110.670%0.70158%0.58SS**  trans-167.482160.2-106.2-30.3000109.6N904D902-N904 VanDerWaalsContact C-N 3.3Å; D902-N904 PolarHBondContact OD1-ND2 2.62Å
903N38.8Very low50.4Low163 Ų163119.4 Ų119.487%0.87262%0.618SS**  trans-93.275.2152.2-78.6-5000106.8
904N35.5Very low47.3Very low127 Ų127128.6 Ų128.668%0.67966%0.661SS**  trans-103.972.5162.2-89.7-46.5000107.9D902D902-N904 VanDerWaalsContact C-N 3.3Å; D902-N904 PolarHBondContact OD1-ND2 2.62Å
905E36Very low44.4Very low189 Ų189134.3 Ų134.388%0.88369%0.685SS**  trans-1134.8161.5-80.1-166.5160.700113.8
906D32.9Very low41.4Very low159 Ų159137.9 Ų137.985%0.8571%0.705SS**  trans-113.481.9168.6-80.6-30.5000111.7S908D906-S908 PolarHBondContact O-N 3.22Å
907K28.3Very low38.4Very low208 Ų208146.1 Ų146.190%0.90474%0.744SS**  trans-8295164.5-92.9-178.8176.7170.30109.9
908S27.6Very low35.6Very low100 Ų100150.4 Ų150.470%0.69977%0.766SS**  trans-179.210513959.30000112.5D906D906-S908 PolarHBondContact O-N 3.22Å
909L26.4Very low33.2Very low149 Ų149149.2 Ų149.278%0.7878%0.777SS**SBend169.1122.7121.9-10987.6000110.8
910W30.1Very low31.8Very low238 Ų238153.3 Ų153.390%0.90279%0.79SS**  trans95.8105.4153.7-69.744.7000120.3
911N25.4Very low30.8Very low152 Ų152159.6 Ų159.681%0.81381%0.81SS**  trans-48.8145.2156.1-70.5-37.9000110.9
912S28.5Very low30.4Very low118 Ų118166.3 Ų166.383%0.82582%0.821SS**  -177.4152.779.6-57.70000111.8
913K27.3Very low30.3Very low201 Ų201167.6 Ų167.687%0.87482%0.82SS**  trans-35.9136.8177.2-61.8166.1176.3175.50117.5
914E29Very low30.8Very low196 Ų196164 Ų16492%0.91680%0.8SS**  -172.3141.3104.9-102.7177.6179.400112.6
915K27.2Very low31.6Very low191 Ų191166 Ų16683%0.8381%0.811SS**  trans-85.1126.7176-79174.9171.6177.70109.3
916H26.8Very low32.7Very low173 Ų173159.6 Ų159.680%0.80178%0.779SS**  172142.7118.5-102.5-77.4000111.2
917Q25Very low34.3Very low173 Ų173156.7 Ų156.781%0.80876%0.764SS**  trans69.490.6161.9-63.8175.21.900118.2
918L26.7Very low36.3Very low144 Ų144154.2 Ų154.275%0.75476%0.755SS**  -169.798.5116.2-126.684.4000110.3Q920L918-Q920 HydrophobicContact CD2-CB 4.46Å; L918-Q920 HydrophobicContact CD2-CG 4.5Å; L918-Q920 PolarHBondContact O-N 3.16Å
919S27.9Very low38.6Very low126 Ų126155.8 Ų155.888%0.88175%0.752SS**  trans-7692.1159.450.90000108.4
920Q30Very low40.9Very low158 Ų158154.3 Ų154.374%0.73874%0.741SS**  trans-129.8100.7164.3-96.9-178.9-11.500109.7L918 K922L918-Q920 HydrophobicContact CD2-CB 4.46Å; L918-Q920 HydrophobicContact CD2-CG 4.5Å; L918-Q920 PolarHBondContact O-N 3.16Å; Q920-K922 PolarHBondContact O-N 3.38Å
921K32.4Very low43.4Very low191 Ų191145.1 Ų145.183%0.8371%0.706SS**  trans-42.7107.8155.5-78.9171.8169.4174.60108.8K923K921-K923 PolarHBondContact O-N 3.04Å
922K37.2Very low46.2Very low206 Ų206140.9 Ų140.990%0.89669%0.688SS**  trans-71.886.4152-85.9-177.1174.71790106.5Q920 L924Q920-K922 PolarHBondContact O-N 3.38Å; K922-L924 PolarHBondContact O-N 2.91Å; K922-L924 VanDerWaalsContact O-N 3.15Å
923K37.8Very low48.9Very low158 Ų158141.1 Ų141.169%0.68767%0.674SS**  trans-61.1109.6160.3-91.5-174.1167.4-164.60105.7K921K921-K923 PolarHBondContact O-N 3.04Å
924L49.6Very low51.7Low86 Ų86131.5 Ų131.545%0.4563%0.633SS.*  trans-63.8128.6160-77.3146.9000106.3K922 Y926K922-L924 PolarHBondContact O-N 2.91Å; K922-L924 VanDerWaalsContact O-N 3.15Å; L924-Y926 HydrophobicContact CB-CD2 3.72Å; L924-Y926 HydrophobicContact CB-CE2 3.33Å; L924-Y926 HydrophobicContact CD1-CE2 3.89Å; L924-Y926 HydrophobicContact CG-CE2 4.16Å; L924-Y926 PolarHBondContact O-N 3.36Å
925D51.2Low54.5Low170 Ų170124.7 Ų124.791%0.90960%0.602SS**  trans-67.175.3176-84-28.1000109.8
926Y58.7Low57.4Low54 Ų54120 Ų12021%0.21259%0.585CS.*  trans-89.6136.4163-61.5-69.1000108.3F871 L924 E928 W931F871-Y926 HydrophobicContact CE2-CD1 4.15Å; F871-Y926 AromaticContact CE2-CE1 3.83Å; F871-Y926 HydrophobicContact CE2-CE1 3.83Å; F871-Y926 HydrophobicContact CZ-CD1 4.06Å; F871-Y926 HydrophobicContact CZ-CE1 4.14Å; L924-Y926 HydrophobicContact CB-CD2 3.72Å; L924-Y926 HydrophobicContact CB-CE2 3.33Å; L924-Y926 HydrophobicContact CD1-CE2 3.89Å; L924-Y926 HydrophobicContact CG-CE2 4.16Å; L924-Y926 PolarHBondContact O-N 3.36Å; Y926-E928 PolarHBondContact O-N 2.87Å; Y926-W931 HydrophobicContact CD1-CE3 4.09Å; Y926-W931 HydrophobicContact CD1-CZ3 4.49Å; Y926-W931 HydrophobicContact CD2-CD2 4.49Å; Y926-W931 HydrophobicContact CD2-CE3 4.4Å; Y926-W931 HydrophobicContact CE1-CE3 4.36Å; Y926-W931 HydrophobicContact CE1-CZ3 4.3Å; Y926-W931 HydrophobicContact CG-CD2 4.41Å; Y926-W931 HydrophobicContact CG-CE3 4.12Å
927N67.5Low60.3Low99 Ų99116 Ų11653%0.52957%0.57SS.*  trans-63.7117.9168.4-161.8-2.6000108.1E929 E930 W931N927-E929 PolarHBondContact O-N 2.74Å; N927-E929 VanDerWaalsContact O-N 3.13Å; N927-E930 HydrophobicContact CB-CB 4.19Å; N927-E930 HydrophobicContact CB-CG 4.16Å; N927-E930 PolarHBondContact O-N 3.34Å; N927-W931 PolarHBondContact O-N 3.01Å
928E70.1Confident63.4Low156 Ų156107.8 Ų107.873%0.72953%0.531SS*.Hα-helixtrans-57.1-33.7-170.2-78-173.5168.300112.3Y926 S932Y926-E928 PolarHBondContact O-N 2.87Å; E928-S932 VanDerWaalsContact O-CB 3.3Å; E928-S932 WeakPolarHBondContact O-CB 3.45Å; E928-S932 PolarHBondContact O-N 3.02Å
929E75.3Confident66.5Low133 Ų133103 Ų10362%0.62151%0.507SS*.Hα-helixtrans-67.6-44.5175.1-106.4-170.5169.700113.3N927 S932 K933N927-E929 PolarHBondContact O-N 2.74Å; N927-E929 VanDerWaalsContact O-N 3.13Å; E929-S932 PolarHBondContact O-N 2.96Å; E929-K933 WeakPolarHBondContact O-CG 3.45Å; E929-K933 PolarHBondContact O-N 3.01Å
930E76.3Confident69.5Low118 Ų11897.6 Ų97.655%0.55147%0.469SS*.Hα-helixtrans-68.6-38.7179.8-70.9-174146.700111.2N927 K933 H934N927-E930 HydrophobicContact CB-CB 4.19Å; N927-E930 HydrophobicContact CB-CG 4.16Å; N927-E930 PolarHBondContact O-N 3.34Å; E930-K933 PolarHBondContact O-N 3.22Å; E930-H934 WeakPolarHBondContact O-CB 3.31Å; E930-H934 PolarHBondContact O-N 3.3Å
931W82.5Confident72.3Confident45 Ų4590 Ų9017%0.1743%0.434CS..Hα-helixtrans-66.7-39.9175.9-169.1-109.7000112P870 F871 P899 Y926 N927 H934 I935P870-W931 HydrophobicContact CB-CH2 4.03Å; P870-W931 HydrophobicContact CB-CZ3 4.05Å; P870-W931 HydrophobicContact CG-CH2 4.4Å; F871-W931 HydrophobicContact CE1-CE3 4.34Å; F871-W931 HydrophobicContact CE1-CZ3 4.44Å; F871-W931 AromaticContact CZ-CE3 3.97Å; F871-W931 HydrophobicContact CZ-CE3 3.97Å; F871-W931 HydrophobicContact CZ-CZ3 4.08Å; P899-W931 HydrophobicContact CG-CZ2 4.38Å; Y926-W931 HydrophobicContact CD1-CE3 4.09Å; Y926-W931 HydrophobicContact CD1-CZ3 4.49Å; Y926-W931 HydrophobicContact CD2-CD2 4.49Å; Y926-W931 HydrophobicContact CD2-CE3 4.4Å; Y926-W931 HydrophobicContact CE1-CE3 4.36Å; Y926-W931 HydrophobicContact CE1-CZ3 4.3Å; Y926-W931 HydrophobicContact CG-CD2 4.41Å; Y926-W931 HydrophobicContact CG-CE3 4.12Å; N927-W931 PolarHBondContact O-N 3.01Å; W931-H934 AromaticContact CH2-CD2 3.99Å; W931-H934 AromaticContact CZ3-CD2 3.76Å; W931-H934 WeakPolarHBondContact O-CB 3.12Å; W931-H934 PolarHBondContact O-N 3.18Å; W931-I935 HydrophobicContact CG-CD1 4.46Å; W931-I935 WeakPolarHBondContact O-CG1 3.38Å; W931-I935 PolarHBondContact O-N 2.96Å
932S83.2Confident75.1Confident62 Ų6281 Ų8143%0.43440%0.395SS..Hα-helixtrans-62.8-44.9174.3-176.60000112.2E928 E929 H934 I935 N936E928-S932 VanDerWaalsContact O-CB 3.3Å; E928-S932 WeakPolarHBondContact O-CB 3.45Å; E928-S932 PolarHBondContact O-N 3.02Å; E929-S932 PolarHBondContact O-N 2.96Å; S932-H934 VanDerWaalsContact C-N 3.32Å; S932-H934 PolarHBondContact O-N 3.07Å; S932-I935 PolarHBondContact O-N 3.2Å; S932-N936 PolarHBondContact O-N 3.46Å; S932-N936 PolarHBondContact O-ND2 2.86Å
933K84.7Confident77.7Confident123 Ų12371.2 Ų71.254%0.53535%0.352SS..Hα-helixtrans-59.8-42.7172.5-72.7173.2-174.6169.50111.6E929 E930 N936 L937E929-K933 WeakPolarHBondContact O-CG 3.45Å; E929-K933 PolarHBondContact O-N 3.01Å; E930-K933 PolarHBondContact O-N 3.22Å; K933-N936 PolarHBondContact O-N 3.47Å; K933-L937 WeakPolarHBondContact O-CG 3.35Å; K933-L937 PolarHBondContact O-N 2.8Å
934H86.9Confident80.3Confident0 Ų065.4 Ų65.40%033%0.326CS..Hα-helixtrans-58.2-48.5175.8174.288.9000111.7P870 F871 R874 A896 E930 W931 S932 N936 L937 C938P870-H934 PolarHBondContact O-CE1 3.47Å; F871-H934 AromaticContact CD1-ND1 3.49Å; F871-H934 WeakPolarHBondContact CD1-ND1 3.49Å; F871-H934 HydrophobicContact CE1-CB 4.14Å; F871-H934 AromaticContact CE1-ND1 3.79Å; R874-H934 PolarHBondContact NH1-ND1 3.03Å; A896-H934 PolarHBondContact O-NE2 2.84Å; E930-H934 WeakPolarHBondContact O-CB 3.31Å; E930-H934 PolarHBondContact O-N 3.3Å; W931-H934 AromaticContact CH2-CD2 3.99Å; W931-H934 AromaticContact CZ3-CD2 3.76Å; W931-H934 WeakPolarHBondContact O-CB 3.12Å; W931-H934 PolarHBondContact O-N 3.18Å; S932-H934 VanDerWaalsContact C-N 3.32Å; S932-H934 PolarHBondContact O-N 3.07Å; H934-N936 PolarHBondContact O-N 3.15Å; H934-L937 PolarHBondContact O-N 2.9Å; H934-C938 PolarHBondContact O-N 3.45Å; H934-C938 PolarHBondContact O-SG 3.33Å; H934-C938 VanDerWaalsContact O-SG 3.33Å
935I88.1Confident82.2Confident53 Ų5361.3 Ų61.327%0.27231%0.305SS..Hα-helixtrans-59.2-46.2176.8-69.4166.3000111.2L897 W931 S932 L937 C938 N939L897-I935 HydrophobicContact CD2-CB 4.35Å; L897-I935 HydrophobicContact CD2-CG1 4.08Å; L897-I935 HydrophobicContact CD2-CG2 4.27Å; W931-I935 HydrophobicContact CG-CD1 4.46Å; W931-I935 WeakPolarHBondContact O-CG1 3.38Å; W931-I935 PolarHBondContact O-N 2.96Å; S932-I935 PolarHBondContact O-N 3.2Å; I935-L937 VanDerWaalsContact C-N 3.33Å; I935-L937 PolarHBondContact O-N 3.21Å; I935-C938 PolarHBondContact O-N 2.84Å; I935-N939 WeakPolarHBondContact CG2-ND2 3.45Å; I935-N939 WeakPolarHBondContact O-CB 3.42Å; I935-N939 PolarHBondContact O-N 3.15Å; I935-N939 PolarHBondContact O-ND2 3.42Å
936N87.2Confident84.1Confident91 Ų9153.4 Ų53.449%0.48726%0.263SS..Hα-helixtrans-61.5-40.6-179.7-72.1-23.7000112.3S932 K933 H934 N939 A940S932-N936 PolarHBondContact O-N 3.46Å; S932-N936 PolarHBondContact O-ND2 2.86Å; K933-N936 PolarHBondContact O-N 3.47Å; H934-N936 PolarHBondContact O-N 3.15Å; N936-N939 PolarHBondContact O-N 3.24Å; N936-A940 WeakPolarHBondContact O-CB 3.34Å; N936-A940 PolarHBondContact O-N 2.77Å
937L89.1Confident85.6Confident90 Ų9050.9 Ų50.947%0.47125%0.253SS..Hα-helixtrans-66.7-43.3176.3-71170.2000112K933 H934 I935 A940 G941K933-L937 WeakPolarHBondContact O-CG 3.35Å; K933-L937 PolarHBondContact O-N 2.8Å; H934-L937 PolarHBondContact O-N 2.9Å; I935-L937 VanDerWaalsContact C-N 3.33Å; I935-L937 PolarHBondContact O-N 3.21Å; L937-A940 PolarHBondContact O-N 3.18Å; L937-G941 PolarHBondContact O-N 3.49Å
938C89.9Confident86.5Confident0 Ų049.9 Ų49.90%024%0.242CC..Hα-helixtrans-61.9-43.6174.7-68.80000111.2Y893 L897 H934 I935 A940 G941 I942Y893-C938 HydrophobicContact CD1-CB 4.28Å; L897-C938 HydrophobicContact CD1-CB 4.49Å; L897-C938 HydrophobicContact CD2-CB 3.71Å; L897-C938 HydrophobicContact CG-CB 3.98Å; H934-C938 PolarHBondContact O-N 3.45Å; H934-C938 PolarHBondContact O-SG 3.33Å; H934-C938 VanDerWaalsContact O-SG 3.33Å; I935-C938 PolarHBondContact O-N 2.84Å; C938-A940 PolarHBondContact O-N 3.47Å; C938-G941 PolarHBondContact O-N 3.43Å; C938-I942 VanDerWaalsContact O-CG1 3.25Å; C938-I942 WeakPolarHBondContact O-CG1 3.24Å; C938-I942 PolarHBondContact O-N 3.01Å
939N90.4Very high87.4Confident44 Ų4446.3 Ų46.324%0.23523%0.227CC..Hα-helixtrans-64.7-36.7177.2-75.7-23.4000112.8I935 N936 I942 A943I935-N939 WeakPolarHBondContact CG2-ND2 3.45Å; I935-N939 WeakPolarHBondContact O-CB 3.42Å; I935-N939 PolarHBondContact O-N 3.15Å; I935-N939 PolarHBondContact O-ND2 3.42Å; N936-N939 PolarHBondContact O-N 3.24Å; N939-I942 PolarHBondContact O-N 3.34Å; N939-A943 WeakPolarHBondContact O-CB 3.28Å; N939-A943 PolarHBondContact O-N 3.01Å
940A90.6Very high87.7Confident12 Ų1242.5 Ų42.510%0.09922%0.224CC..Hα-helixtrans-62.4-44.8172.900000111.5N936 L937 C938 A943 R944 L967N936-A940 WeakPolarHBondContact O-CB 3.34Å; N936-A940 PolarHBondContact O-N 2.77Å; L937-A940 PolarHBondContact O-N 3.18Å; C938-A940 PolarHBondContact O-N 3.47Å; A940-A943 PolarHBondContact O-N 2.78Å; A940-R944 PolarHBondContact O-N 3.14Å; A940-R944 VanDerWaalsContact O-N 3.1Å; A940-L967 HydrophobicContact CB-CD1 4.02Å; A940-L967 HydrophobicContact CB-CD2 3.9Å
941G90.2Very high88.2Confident0 Ų040.3 Ų40.30%022%0.216CC..Hα-helixtrans-61.7-41.9173.300000113L937 C938 N945L937-G941 PolarHBondContact O-N 3.49Å; C938-G941 PolarHBondContact O-N 3.43Å; G941-N945 WeakPolarHBondContact O-CB 3.44Å; G941-N945 PolarHBondContact O-N 3.21Å; G941-N945 PolarHBondContact O-ND2 3.19Å
942I90.8Very high88.3Confident1 Ų140.6 Ų40.61%0.00522%0.221CC..Hα-helixtrans-62.6-44.4174.4-69.1164.7000110.5L890 E894 L897 C938 N939 R944 N945 A946 L958L890-I942 HydrophobicContact CD1-CB 4.19Å; L890-I942 HydrophobicContact CD1-CG1 3.98Å; L890-I942 HydrophobicContact CD1-CG2 3.98Å; E894-I942 HydrophobicContact CG-CD1 4.21Å; E894-I942 HydrophobicContact CG-CG1 4.47Å; L897-I942 HydrophobicContact CD1-CD1 3.5Å; C938-I942 VanDerWaalsContact O-CG1 3.25Å; C938-I942 WeakPolarHBondContact O-CG1 3.24Å; C938-I942 PolarHBondContact O-N 3.01Å; N939-I942 PolarHBondContact O-N 3.34Å; I942-R944 PolarHBondContact O-N 3.19Å; I942-N945 PolarHBondContact O-N 2.94Å; I942-A946 WeakPolarHBondContact O-CB 3.33Å; I942-A946 PolarHBondContact O-N 3.38Å; I942-L958 HydrophobicContact CG2-CD1 3.95Å
943A91.1Very high88.5Confident0 Ų046.1 Ų46.10%024%0.237CC..Hα-helixtrans-59.1-49.8179.600000111.4N939 A940 A946 I947 L958N939-A943 WeakPolarHBondContact O-CB 3.28Å; N939-A943 PolarHBondContact O-N 3.01Å; A940-A943 PolarHBondContact O-N 2.78Å; A943-A946 PolarHBondContact O-N 3.25Å; A943-I947 WeakPolarHBondContact O-CG1 3.44Å; A943-I947 PolarHBondContact O-N 3.46Å; A943-I947 VanDerWaalsContact O-N 3.12Å; A943-L958 HydrophobicContact CB-CB 3.66Å; A943-L958 HydrophobicContact CB-CD1 4.26Å
944R92.2Very high88.6Confident37 Ų3744.7 Ų44.714%0.1423%0.228CC..Hα-helixtrans-61.4-49.5178.3-69.7-171.7-62.7-94.5-6.4112.3E881 A940 I942 I947 R948 L967 E970 I974E881-R944 WeakPolarHBondContact OE1-CD 3.4Å; E881-R944 IonicContact OE1-CZ 3.75Å; E881-R944 IonicContact OE1-NE 2.88Å; E881-R944 PolarHBondContact OE1-NE 3.28Å; E881-R944 IonicContact OE1-NH2 3.24Å; E881-R944 IonicContact OE2-CZ 2.64Å; E881-R944 IonicContact OE2-NE 2.72Å; E881-R944 PolarHBondContact OE2-NE 3.3Å; E881-R944 IonicContact OE2-NH2 2.79Å; E881-R944 PolarHBondContact OE2-NH2 2.99Å; A940-R944 PolarHBondContact O-N 3.14Å; A940-R944 VanDerWaalsContact O-N 3.1Å; I942-R944 PolarHBondContact O-N 3.19Å; R944-I947 PolarHBondContact O-N 3.14Å; R944-R948 WeakPolarHBondContact O-CG 3.38Å; R944-R948 PolarHBondContact O-N 3.47Å; R944-R948 VanDerWaalsContact O-N 3.08Å; R944-L967 HydrophobicContact CG-CD1 3.92Å; R944-E970 VanDerWaalsContact CD-OE2 3.27Å; R944-E970 WeakPolarHBondContact CD-OE2 3.19Å; R944-E970 IonicContact CZ-OE2 3.48Å; R944-E970 IonicContact NE-OE2 3.08Å; R944-E970 IonicContact NH1-OE2 2.89Å; R944-E970 PolarHBondContact NH1-OE2 2.84Å; R944-I974 HydrophobicContact CB-CD1 3.92Å; R944-I974 HydrophobicContact CG-CD1 4.07Å
945N90.7Very high88.5Confident0 Ų044.7 Ų44.70%023%0.228CC..Hα-helixtrans-70.6-32-177.4-69.1-52.6000112.2Y886 L890 G941 I942 R948 L949Y886-N945 WeakPolarHBondContact CD1-OD1 3.34Å; L890-N945 HydrophobicContact CB-CB 4.21Å; L890-N945 HydrophobicContact CD1-CB 4.4Å; G941-N945 WeakPolarHBondContact O-CB 3.44Å; G941-N945 PolarHBondContact O-N 3.21Å; G941-N945 PolarHBondContact O-ND2 3.19Å; I942-N945 PolarHBondContact O-N 2.94Å; N945-R948 PolarHBondContact O-N 3.44Å; N945-R948 PolarHBondContact OD1-NH1 3.03Å; N945-L949 WeakPolarHBondContact O-CB 3.42Å; N945-L949 VanDerWaalsContact O-CG 3.24Å; N945-L949 WeakPolarHBondContact O-CG 3.39Å; N945-L949 PolarHBondContact O-N 3.06Å
946A90.7Very high88.4Confident3 Ų344.2 Ų44.23%0.02523%0.226CC..Hα-helixtrans-62.6-45.6172.300000111.9I942 A943 R948 L949 G950 D951I942-A946 WeakPolarHBondContact O-CB 3.33Å; I942-A946 PolarHBondContact O-N 3.38Å; A943-A946 PolarHBondContact O-N 3.25Å; A946-R948 VanDerWaalsContact C-N 3.34Å; A946-R948 PolarHBondContact O-N 2.7Å; A946-L949 PolarHBondContact O-N 3.09Å; A946-G950 PolarHBondContact O-N 2.97Å; A946-G950 VanDerWaalsContact O-N 3.09Å; A946-D951 HydrophobicContact CB-CB 4.33Å; A946-D951 PolarHBondContact O-N 2.78Å
947I89.3Confident88.4Confident1 Ų146.2 Ų46.21%0.00523%0.232CC..Hα-helixtrans-61.5-44.2175.4-61.2177.8000110.4A943 R944 L949 G950 L952 I956 C971 I974 L975A943-I947 WeakPolarHBondContact O-CG1 3.44Å; A943-I947 PolarHBondContact O-N 3.46Å; A943-I947 VanDerWaalsContact O-N 3.12Å; R944-I947 PolarHBondContact O-N 3.14Å; I947-L949 VanDerWaalsContact C-N 3.32Å; I947-L949 PolarHBondContact O-N 3.09Å; I947-G950 PolarHBondContact O-N 2.89Å; I947-L952 HydrophobicContact CB-CD2 4.48Å; I947-L952 HydrophobicContact CG2-CD2 3.75Å; I947-I956 HydrophobicContact CD1-CG1 4.47Å; I947-C971 HydrophobicContact CD1-CB 3.51Å; I947-C971 VanDerWaalsContact CD1-SG 3.59Å; I947-I974 HydrophobicContact CB-CG2 4.07Å; I947-I974 HydrophobicContact CG2-CB 4.14Å; I947-I974 HydrophobicContact CG2-CG2 3.47Å; I947-I974 VanDerWaalsContact CG2-CG2 3.47Å; I947-L975 HydrophobicContact CG2-CD2 3.83Å; I947-L975 HydrophobicContact CG2-CG 4.02Å
948R87.9Confident88.2Confident79 Ų7943.8 Ų43.830%0.29822%0.219SC..Hα-helixtrans-63.1-37.1179-71-178.3-172131.61.5112.9E881 Y886 R944 N945 A946 G950 I974E881-R948 VanDerWaalsContact CG-NH1 3.27Å; E881-R948 IonicContact OE1-CZ 2.9Å; E881-R948 IonicContact OE1-NH1 2.99Å; E881-R948 PolarHBondContact OE1-NH1 3.42Å; E881-R948 IonicContact OE1-NH2 2.71Å; Y886-R948 HydrophobicContact CD2-CB 4.26Å; Y886-R948 VanDerWaalsContact CE1-CD 3.45Å; Y886-R948 HydrophobicContact CG-CB 4.37Å; R944-R948 WeakPolarHBondContact O-CG 3.38Å; R944-R948 PolarHBondContact O-N 3.47Å; R944-R948 VanDerWaalsContact O-N 3.08Å; N945-R948 PolarHBondContact O-N 3.44Å; N945-R948 PolarHBondContact OD1-NH1 3.03Å; A946-R948 VanDerWaalsContact C-N 3.34Å; A946-R948 PolarHBondContact O-N 2.7Å; R948-G950 VanDerWaalsContact C-N 3.28Å; R948-I974 HydrophobicContact CG-CD1 4.13Å; R948-I974 HydrophobicContact CG-CG1 4.34Å; R948-I974 HydrophobicContact CG-CG2 3.62Å
949L87.9Confident87.9Confident80 Ų8043.8 Ų43.842%0.41922%0.219SC..THydrogen-bonded Turntrans-84.40.8178.7-65.5171000113.3V887 L890 N945 A946 I947V887-L949 HydrophobicContact CG2-CD2 3.78Å; L890-L949 HydrophobicContact CB-CD1 4.23Å; L890-L949 HydrophobicContact CD2-CD1 3.68Å; N945-L949 WeakPolarHBondContact O-CB 3.42Å; N945-L949 VanDerWaalsContact O-CG 3.24Å; N945-L949 WeakPolarHBondContact O-CG 3.39Å; N945-L949 PolarHBondContact O-N 3.06Å; A946-L949 PolarHBondContact O-N 3.09Å; I947-L949 VanDerWaalsContact C-N 3.32Å; I947-L949 PolarHBondContact O-N 3.09Å
950G81.8Confident87.6Confident54 Ų5444.2 Ų44.256%0.55723%0.226SC*.THydrogen-bonded Turntrans960.117200000115.9A946 I947 R948 L952A946-G950 PolarHBondContact O-N 2.97Å; A946-G950 VanDerWaalsContact O-N 3.09Å; I947-G950 PolarHBondContact O-N 2.89Å; R948-G950 VanDerWaalsContact C-N 3.28Å; G950-L952 VanDerWaalsContact C-N 3.25Å; G950-L952 PolarHBondContact O-N 3.23Å
951D87.2Confident87.2Confident72 Ų7248.6 Ų48.639%0.38525%0.251SS..  trans-8471171.4-171.1-2.7000110.5A946 K953 R954 G955A946-D951 HydrophobicContact CB-CB 4.33Å; A946-D951 PolarHBondContact O-N 2.78Å; D951-K953 VanDerWaalsContact C-N 3.26Å; D951-K953 PolarHBondContact O-N 2.91Å; D951-R954 VanDerWaalsContact CG-CB 3.47Å; D951-R954 WeakPolarHBondContact OD1-CB 3.32Å; D951-R954 PolarHBondContact OD1-N 3.36Å; D951-R954 VanDerWaalsContact OD2-CB 3.25Å; D951-R954 WeakPolarHBondContact OD2-CB 3.25Å; D951-R954 WeakPolarHBondContact OD2-CD 3.46Å; D951-G955 PolarHBondContact O-N 3.35Å; D951-G955 VanDerWaalsContact O-N 3.09Å
952L85.5Confident86.4Confident51 Ų5151.4 Ų51.427%0.26727%0.269SS..Hα-helixtrans-63.1-31.8-175.2-57.1-178.1000112.4I947 G950 I956 L975 Q980I947-L952 HydrophobicContact CB-CD2 4.48Å; I947-L952 HydrophobicContact CG2-CD2 3.75Å; G950-L952 VanDerWaalsContact C-N 3.25Å; G950-L952 PolarHBondContact O-N 3.23Å; L952-I956 HydrophobicContact CB-CD1 4.29Å; L952-I956 VanDerWaalsContact O-CB 3.25Å; L952-I956 WeakPolarHBondContact O-CB 3.33Å; L952-I956 WeakPolarHBondContact O-CD1 3.25Å; L952-I956 WeakPolarHBondContact O-CG1 3.33Å; L952-I956 PolarHBondContact O-N 3.24Å; L952-L975 HydrophobicContact CD2-CD2 3.87Å; L952-Q980 HydrophobicContact CD1-CG 4.17Å
953K85.6Confident85.5Confident177 Ų17754.4 Ų54.477%0.7730%0.299SS*.Hα-helixtrans-67.5-55.4-178.3-70-175.5-179.2-179.90110.7D951 G955 I956 E957D951-K953 VanDerWaalsContact C-N 3.26Å; D951-K953 PolarHBondContact O-N 2.91Å; K953-G955 VanDerWaalsContact C-N 3.26Å; K953-G955 PolarHBondContact O-N 3.46Å; K953-I956 PolarHBondContact O-N 2.95Å; K953-E957 VanDerWaalsContact O-CB 3.27Å; K953-E957 WeakPolarHBondContact O-CB 3.43Å; K953-E957 PolarHBondContact O-N 2.8Å
954R87.5Confident85.1Confident94 Ų9458.1 Ų58.136%0.35532%0.319SS..Hα-helixtrans-59.1-42178.2-174.3179.4176.7-166.5-2.7110.6E894 D951 L958E894-R954 IonicContact OE1-CZ 2.98Å; E894-R954 IonicContact OE1-NH1 3.61Å; E894-R954 PolarHBondContact OE1-NH1 2.89Å; E894-R954 VanDerWaalsContact OE1-NH1 3.08Å; E894-R954 IonicContact OE1-NH2 3.76Å; E894-R954 PolarHBondContact OE1-NH2 3.22Å; D951-R954 VanDerWaalsContact CG-CB 3.47Å; D951-R954 WeakPolarHBondContact OD1-CB 3.32Å; D951-R954 PolarHBondContact OD1-N 3.36Å; D951-R954 VanDerWaalsContact OD2-CB 3.25Å; D951-R954 WeakPolarHBondContact OD2-CB 3.25Å; D951-R954 WeakPolarHBondContact OD2-CD 3.46Å; R954-L958 HydrophobicContact CG-CD1 4.1Å; R954-L958 WeakPolarHBondContact O-CB 3.38Å; R954-L958 WeakPolarHBondContact O-CD1 3.06Å; R954-L958 VanDerWaalsContact O-CG 3.24Å; R954-L958 WeakPolarHBondContact O-CG 3.35Å; R954-L958 PolarHBondContact O-N 2.83Å; R954-L958 VanDerWaalsContact O-N 3.16Å
955G85.1Confident84.8Confident0 Ų058.9 Ų58.90%033%0.33CS..Hα-helixtrans-65.6-4818000000114.7D951 K953 A959D951-G955 PolarHBondContact O-N 3.35Å; D951-G955 VanDerWaalsContact O-N 3.09Å; K953-G955 VanDerWaalsContact C-N 3.26Å; K953-G955 PolarHBondContact O-N 3.46Å; G955-A959 WeakPolarHBondContact O-CB 3.45Å; G955-A959 PolarHBondContact O-N 2.88Å
956I85.4Confident84.5Confident43 Ų4364.1 Ų64.122%0.22136%0.358CS..Hα-helixtrans-69.9-38.1-179.9-67.5167.5000111.1I947 L952 K953 A959 S960 L975 L987I947-I956 HydrophobicContact CD1-CG1 4.47Å; L952-I956 HydrophobicContact CB-CD1 4.29Å; L952-I956 VanDerWaalsContact O-CB 3.25Å; L952-I956 WeakPolarHBondContact O-CB 3.33Å; L952-I956 WeakPolarHBondContact O-CD1 3.25Å; L952-I956 WeakPolarHBondContact O-CG1 3.33Å; L952-I956 PolarHBondContact O-N 3.24Å; K953-I956 PolarHBondContact O-N 2.95Å; I956-A959 PolarHBondContact O-N 2.8Å; I956-S960 VanDerWaalsContact O-CB 3.28Å; I956-S960 WeakPolarHBondContact O-CB 3.42Å; I956-S960 PolarHBondContact O-N 2.85Å; I956-S960 PolarHBondContact O-OG 2.87Å; I956-L975 HydrophobicContact CD1-CD1 4.1Å; I956-L975 HydrophobicContact CD1-CD2 4.19Å; I956-L975 HydrophobicContact CG1-CD1 4.04Å; I956-L987 HydrophobicContact CG1-CD1 4.37Å; I956-L987 HydrophobicContact CG2-CD1 4.45Å
957E86.9Confident84.3Confident132 Ų13264.1 Ų64.162%0.61736%0.358SS*.Hα-helixtrans-62.1-46.6177.4-173.1173.8-171.600111.1K953 A959 S960 T961K953-E957 VanDerWaalsContact O-CB 3.27Å; K953-E957 WeakPolarHBondContact O-CB 3.43Å; K953-E957 PolarHBondContact O-N 2.8Å; E957-A959 PolarHBondContact O-N 2.82Å; E957-S960 PolarHBondContact O-N 2.85Å; E957-T961 WeakPolarHBondContact O-CB 3.44Å; E957-T961 VanDerWaalsContact O-CG2 3.25Å; E957-T961 WeakPolarHBondContact O-CG2 3.26Å; E957-T961 PolarHBondContact O-N 3.38Å; E957-T961 VanDerWaalsContact O-N 3.08Å; E957-T961 PolarHBondContact O-OG1 2.9Å
958L84.9Confident84.4Confident39 Ų3965 Ų6520%0.20436%0.362CS..Hα-helixtrans-64.7-38175.4-70.8170.7000112.3I942 A943 R954 T961 T962I942-L958 HydrophobicContact CG2-CD1 3.95Å; A943-L958 HydrophobicContact CB-CB 3.66Å; A943-L958 HydrophobicContact CB-CD1 4.26Å; R954-L958 HydrophobicContact CG-CD1 4.1Å; R954-L958 WeakPolarHBondContact O-CB 3.38Å; R954-L958 WeakPolarHBondContact O-CD1 3.06Å; R954-L958 VanDerWaalsContact O-CG 3.24Å; R954-L958 WeakPolarHBondContact O-CG 3.35Å; R954-L958 PolarHBondContact O-N 2.83Å; R954-L958 VanDerWaalsContact O-N 3.16Å; L958-T961 PolarHBondContact O-OG1 2.86Å; L958-T962 WeakPolarHBondContact O-CG2 3.3Å; L958-T962 PolarHBondContact O-OG1 2.83Å
959A85.2Confident84.4Confident0 Ų065.4 Ų65.40%037%0.366CS..Hα-helixtrans-70.9-34.7177.900000113G955 I956 E957 T962 Q968 C971G955-A959 WeakPolarHBondContact O-CB 3.45Å; G955-A959 PolarHBondContact O-N 2.88Å; I956-A959 PolarHBondContact O-N 2.8Å; E957-A959 PolarHBondContact O-N 2.82Å; A959-T962 PolarHBondContact O-OG1 3.44Å; A959-Q968 VanDerWaalsContact O-CG 3.22Å; A959-Q968 WeakPolarHBondContact O-CG 3.41Å; A959-C971 HydrophobicContact CB-CB 3.82Å; A959-C971 VanDerWaalsContact CB-SG 3.57Å
960S83.4Confident84.5Confident53 Ų5365.3 Ų65.337%0.37136%0.363SS..Hα-helixtrans-79.1-35.9-177-55.60000112.3I956 E957I956-S960 VanDerWaalsContact O-CB 3.28Å; I956-S960 WeakPolarHBondContact O-CB 3.42Å; I956-S960 PolarHBondContact O-N 2.85Å; I956-S960 PolarHBondContact O-OG 2.87Å; E957-S960 PolarHBondContact O-N 2.85Å
961T81.5Confident84.8Confident104 Ų10462.7 Ų62.764%0.63834%0.337SS*.Hα-helixtrans-79.2-20.3-175510000114.3E957 L958E957-T961 WeakPolarHBondContact O-CB 3.44Å; E957-T961 VanDerWaalsContact O-CG2 3.25Å; E957-T961 WeakPolarHBondContact O-CG2 3.26Å; E957-T961 PolarHBondContact O-N 3.38Å; E957-T961 VanDerWaalsContact O-N 3.08Å; E957-T961 PolarHBondContact O-OG1 2.9Å; L958-T961 PolarHBondContact O-OG1 2.86Å
962T74Confident84.9Confident60 Ų6059.3 Ų59.337%0.36832%0.318SS..THydrogen-bonded Turntrans-79.3-15.5-174.742.70000114.3L958 A959 N964 L967L958-T962 WeakPolarHBondContact O-CG2 3.3Å; L958-T962 PolarHBondContact O-OG1 2.83Å; A959-T962 PolarHBondContact O-OG1 3.44Å; T962-N964 PolarHBondContact O-N 2.75Å; T962-L967 HydrophobicContact CG2-CD2 4.28Å
963G72.3Confident85.1Confident63 Ų6359.4 Ų59.465%0.64932%0.319SS*.  trans62.99.3-17800000114.8S965G963-S965 PolarHBondContact O-N 2.77Å
964N82.6Confident85.2Confident78 Ų7851.6 Ų51.642%0.41729%0.286SS..  trans-90103.9-178.2-176.6-13.2000109.9T962 N966 L967 Q968T962-N964 PolarHBondContact O-N 2.75Å; N964-N966 PolarHBondContact O-N 3.18Å; N964-N966 VanDerWaalsContact O-N 3.12Å; N964-N966 WeakPolarHBondContact OD1-CB 3.48Å; N964-N966 PolarHBondContact OD1-N 2.96Å; N964-L967 HydrophobicContact CB-CB 4.05Å; N964-L967 PolarHBondContact O-N 3.37Å; N964-L967 VanDerWaalsContact O-N 3.07Å; N964-L967 PolarHBondContact OD1-N 3.15Å; N964-Q968 WeakPolarHBondContact O-CG 3.49Å; N964-Q968 PolarHBondContact O-N 3.5Å
965S84.3Confident85.2Confident53 Ų5347.1 Ų47.137%0.37127%0.269SS..Hα-helixtrans-53.3-32.7179.1-170.10000113.2G963 K969 A991G963-S965 PolarHBondContact O-N 2.77Å; S965-K969 WeakPolarHBondContact O-CB 3.13Å; S965-K969 PolarHBondContact O-N 2.82Å; S965-A991 PolarHBondContact OG-O 2.91Å; S965-A991 VanDerWaalsContact OG-O 3.09Å
966N84.6Confident85.3Confident110 Ų11049.3 Ų49.359%0.58828%0.279SS*.Hα-helixtrans-72.1-45178.4-70-13.3000111.3N964 Q968 K969 E970N964-N966 PolarHBondContact O-N 3.18Å; N964-N966 VanDerWaalsContact O-N 3.12Å; N964-N966 WeakPolarHBondContact OD1-CB 3.48Å; N964-N966 PolarHBondContact OD1-N 2.96Å; N966-Q968 VanDerWaalsContact C-N 3.32Å; N966-Q968 PolarHBondContact O-N 2.92Å; N966-K969 PolarHBondContact O-N 3.25Å; N966-E970 WeakPolarHBondContact O-CG 3.37Å; N966-E970 PolarHBondContact O-N 2.79Å
967L87.5Confident85.3Confident4 Ų455.5 Ų55.52%0.02131%0.305CS..Hα-helixtrans-63.5-40.7176.2-179.660.2000111A940 R944 T962 N964 K969 E970 C971A940-L967 HydrophobicContact CB-CD1 4.02Å; A940-L967 HydrophobicContact CB-CD2 3.9Å; R944-L967 HydrophobicContact CG-CD1 3.92Å; T962-L967 HydrophobicContact CG2-CD2 4.28Å; N964-L967 HydrophobicContact CB-CB 4.05Å; N964-L967 PolarHBondContact O-N 3.37Å; N964-L967 VanDerWaalsContact O-N 3.07Å; N964-L967 PolarHBondContact OD1-N 3.15Å; L967-K969 VanDerWaalsContact C-N 3.35Å; L967-K969 PolarHBondContact O-N 3.07Å; L967-E970 PolarHBondContact O-N 2.96Å; L967-C971 WeakPolarHBondContact O-CB 3.36Å; L967-C971 PolarHBondContact O-N 3.16Å; L967-C971 PolarHBondContact O-SG 3.49Å
968Q90.5Very high85.1Confident18 Ų1851.9 Ų51.98%0.08429%0.293CS..Hα-helixtrans-60.3-44.1176.2-70.8169.7-1300111.8A959 N964 N966 C971 A972 L987 A991A959-Q968 VanDerWaalsContact O-CG 3.22Å; A959-Q968 WeakPolarHBondContact O-CG 3.41Å; N964-Q968 WeakPolarHBondContact O-CG 3.49Å; N964-Q968 PolarHBondContact O-N 3.5Å; N966-Q968 VanDerWaalsContact C-N 3.32Å; N966-Q968 PolarHBondContact O-N 2.92Å; Q968-C971 PolarHBondContact O-N 2.9Å; Q968-A972 WeakPolarHBondContact O-CB 3.48Å; Q968-A972 PolarHBondContact O-N 3.22Å; Q968-L987 HydrophobicContact CB-CD2 4.05Å; Q968-L987 HydrophobicContact CG-CD2 4.16Å; Q968-A991 HydrophobicContact CB-CB 4.01Å
969K89.3Confident85Confident89 Ų8957.1 Ų57.139%0.38731%0.314SS..Hα-helixtrans-62.5-48173.7-174.7-172.8179.9179.30112S965 N966 L967 C971 A972 D973 Y988 A991S965-K969 WeakPolarHBondContact O-CB 3.13Å; S965-K969 PolarHBondContact O-N 2.82Å; N966-K969 PolarHBondContact O-N 3.25Å; L967-K969 VanDerWaalsContact C-N 3.35Å; L967-K969 PolarHBondContact O-N 3.07Å; K969-C971 VanDerWaalsContact C-N 3.3Å; K969-C971 PolarHBondContact O-N 3.01Å; K969-A972 WeakPolarHBondContact O-CB 3.39Å; K969-A972 PolarHBondContact O-N 3.27Å; K969-A972 VanDerWaalsContact O-N 3.1Å; K969-D973 PolarHBondContact O-N 2.94Å; K969-Y988 HydrophobicContact CG-CE1 4.36Å; K969-A991 HydrophobicContact CB-CB 3.99Å
970E88.3Confident85.1Confident77 Ų7760.7 Ų60.736%0.3633%0.331SS..Hα-helixtrans-59.1-42.8178.6-74.4170.3-174.900111.3R944 N966 L967 D973 I974R944-E970 VanDerWaalsContact CD-OE2 3.27Å; R944-E970 WeakPolarHBondContact CD-OE2 3.19Å; R944-E970 IonicContact CZ-OE2 3.48Å; R944-E970 IonicContact NE-OE2 3.08Å; R944-E970 IonicContact NH1-OE2 2.89Å; R944-E970 PolarHBondContact NH1-OE2 2.84Å; N966-E970 WeakPolarHBondContact O-CG 3.37Å; N966-E970 PolarHBondContact O-N 2.79Å; L967-E970 PolarHBondContact O-N 2.96Å; E970-D973 PolarHBondContact O-N 3.41Å; E970-I974 WeakPolarHBondContact O-CD1 3.2Å; E970-I974 VanDerWaalsContact O-CG1 3.24Å; E970-I974 WeakPolarHBondContact O-CG1 3.45Å; E970-I974 PolarHBondContact O-N 3.34Å; E970-I974 VanDerWaalsContact O-N 3.13Å
971C89.6Confident85.1Confident0 Ų062.2 Ų62.20%033%0.328CS..Hα-helixtrans-67.5-38174.5-71.10000112.2I947 A959 L967 Q968 K969 I974 L975I947-C971 HydrophobicContact CD1-CB 3.51Å; I947-C971 VanDerWaalsContact CD1-SG 3.59Å; A959-C971 HydrophobicContact CB-CB 3.82Å; A959-C971 VanDerWaalsContact CB-SG 3.57Å; L967-C971 WeakPolarHBondContact O-CB 3.36Å; L967-C971 PolarHBondContact O-N 3.16Å; L967-C971 PolarHBondContact O-SG 3.49Å; Q968-C971 PolarHBondContact O-N 2.9Å; K969-C971 VanDerWaalsContact C-N 3.3Å; K969-C971 PolarHBondContact O-N 3.01Å; C971-I974 PolarHBondContact O-N 3.36Å; C971-L975 VanDerWaalsContact O-CG 3.32Å; C971-L975 WeakPolarHBondContact O-CG 3.2Å; C971-L975 PolarHBondContact O-N 3.3Å
972A89.2Confident85.1Confident0 Ų064.2 Ų64.20%033%0.331CS..Hα-helixtrans-61.6-44.2173.500000111.9Q968 K969 I974 L975 E976 L987 Y988Q968-A972 WeakPolarHBondContact O-CB 3.48Å; Q968-A972 PolarHBondContact O-N 3.22Å; K969-A972 WeakPolarHBondContact O-CB 3.39Å; K969-A972 PolarHBondContact O-N 3.27Å; K969-A972 VanDerWaalsContact O-N 3.1Å; A972-I974 VanDerWaalsContact C-N 3.31Å; A972-I974 PolarHBondContact O-N 3.19Å; A972-L975 CarbonylContact O-C 3.58Å; A972-L975 PolarHBondContact O-N 2.61Å; A972-L975 VanDerWaalsContact O-N 3.14Å; A972-E976 PolarHBondContact O-N 3.06Å; A972-L987 HydrophobicContact CB-CB 3.71Å; A972-Y988 HydrophobicContact CB-CD1 3.6Å; A972-Y988 HydrophobicContact CB-CD2 4.05Å; A972-Y988 HydrophobicContact CB-CE1 3.58Å; A972-Y988 HydrophobicContact CB-CE2 4.04Å; A972-Y988 HydrophobicContact CB-CG 3.83Å
973D89.2Confident85.7Confident54 Ų5465.3 Ų65.329%0.28933%0.331SS..Hα-helixtrans-60.1-41.3176.3-69.9-26.8000111.4K969 E970 K977 Y988K969-D973 PolarHBondContact O-N 2.94Å; E970-D973 PolarHBondContact O-N 3.41Å; D973-K977 WeakPolarHBondContact O-CG 3.49Å; D973-K977 PolarHBondContact O-N 3.5Å; D973-Y988 VanDerWaalsContact CA-OH 3.26Å; D973-Y988 WeakPolarHBondContact CA-OH 3.47Å; D973-Y988 PolarHBondContact N-OH 3.01Å; D973-Y988 WeakPolarHBondContact OD1-CE1 3.2Å; D973-Y988 VanDerWaalsContact OD1-CZ 3.25Å; D973-Y988 PolarHBondContact OD1-OH 3.06Å
974I88.2Confident86.4Confident12 Ų1262.3 Ų62.36%0.06230%0.301CS..Hα-helixtrans-66.4-42.4175.7-62.4162.5000110.1R944 I947 R948 E970 C971 A972 K977 C978R944-I974 HydrophobicContact CB-CD1 3.92Å; R944-I974 HydrophobicContact CG-CD1 4.07Å; I947-I974 HydrophobicContact CB-CG2 4.07Å; I947-I974 HydrophobicContact CG2-CB 4.14Å; I947-I974 HydrophobicContact CG2-CG2 3.47Å; I947-I974 VanDerWaalsContact CG2-CG2 3.47Å; R948-I974 HydrophobicContact CG-CD1 4.13Å; R948-I974 HydrophobicContact CG-CG1 4.34Å; R948-I974 HydrophobicContact CG-CG2 3.62Å; E970-I974 WeakPolarHBondContact O-CD1 3.2Å; E970-I974 VanDerWaalsContact O-CG1 3.24Å; E970-I974 WeakPolarHBondContact O-CG1 3.45Å; E970-I974 PolarHBondContact O-N 3.34Å; E970-I974 VanDerWaalsContact O-N 3.13Å; C971-I974 PolarHBondContact O-N 3.36Å; A972-I974 VanDerWaalsContact C-N 3.31Å; A972-I974 PolarHBondContact O-N 3.19Å; I974-K977 WeakPolarHBondContact O-CB 3.34Å; I974-K977 PolarHBondContact O-N 3.07Å; I974-C978 PolarHBondContact O-N 3.41Å; I974-C978 PolarHBondContact O-SG 2.99Å
975L87.9Confident86.4Confident0 Ų059 Ų590%028%0.284CS..Hα-helixtrans-66.3-38.6177.8-73.4167000113.2I947 L952 I956 C971 A972 K977 C978 K979 Q980 E983 A984 L987I947-L975 HydrophobicContact CG2-CD2 3.83Å; I947-L975 HydrophobicContact CG2-CG 4.02Å; L952-L975 HydrophobicContact CD2-CD2 3.87Å; I956-L975 HydrophobicContact CD1-CD1 4.1Å; I956-L975 HydrophobicContact CD1-CD2 4.19Å; I956-L975 HydrophobicContact CG1-CD1 4.04Å; C971-L975 VanDerWaalsContact O-CG 3.32Å; C971-L975 WeakPolarHBondContact O-CG 3.2Å; C971-L975 PolarHBondContact O-N 3.3Å; A972-L975 CarbonylContact O-C 3.58Å; A972-L975 PolarHBondContact O-N 2.61Å; A972-L975 VanDerWaalsContact O-N 3.14Å; L975-K977 VanDerWaalsContact C-N 3.3Å; L975-K977 PolarHBondContact O-N 3.35Å; L975-C978 CarbonylContact O-C 3.5Å; L975-C978 WeakPolarHBondContact O-CA 3.37Å; L975-C978 PolarHBondContact O-N 3.46Å; L975-C978 VanDerWaalsContact O-N 3.13Å; L975-K979 PolarHBondContact O-N 3.19Å; L975-Q980 HydrophobicContact CB-CB 4.38Å; L975-Q980 HydrophobicContact CD2-CB 4.09Å; L975-Q980 HydrophobicContact CD2-CG 4.25Å; L975-Q980 PolarHBondContact O-N 3.04Å; L975-E983 HydrophobicContact CD1-CB 4.26Å; L975-A984 HydrophobicContact CB-CB 4.01Å; L975-L987 HydrophobicContact CD1-CD1 3.25Å
976E86.8Confident86.5Confident46 Ų4660.6 Ų60.622%0.21529%0.288CS..Hα-helixtrans-59.8-44.8174-166.6-170171.500109.9A972 C978 K979 W981 A984 Y988 V1000 K1003A972-E976 PolarHBondContact O-N 3.06Å; E976-C978 VanDerWaalsContact C-N 3.29Å; E976-C978 PolarHBondContact O-N 3.13Å; E976-K979 WeakPolarHBondContact O-CA 3.44Å; E976-K979 PolarHBondContact O-N 3Å; E976-W981 HydrophobicContact CG-CE3 3.98Å; E976-W981 HydrophobicContact CG-CH2 4.34Å; E976-W981 HydrophobicContact CG-CZ3 3.43Å; E976-W981 VanDerWaalsContact CG-CZ3 3.43Å; E976-A984 HydrophobicContact CB-CB 4.2Å; E976-Y988 HydrophobicContact CB-CE2 4.3Å; E976-Y988 PolarHBondContact OE2-OH 2.88Å; E976-V1000 HydrophobicContact CG-CG2 4.27Å; E976-K1003 IonicContact OE1-NZ 3.59Å; E976-K1003 PolarHBondContact OE1-NZ 2.95Å
977K85.1Confident86.6Confident174 Ų17455.6 Ų55.676%0.75726%0.262SS*.Hα-helixtrans-62.1-37174.6-71.8174.1-177.8176.90112.1D973 I974 L975 K979D973-K977 WeakPolarHBondContact O-CG 3.49Å; D973-K977 PolarHBondContact O-N 3.5Å; I974-K977 WeakPolarHBondContact O-CB 3.34Å; I974-K977 PolarHBondContact O-N 3.07Å; L975-K977 VanDerWaalsContact C-N 3.3Å; L975-K977 PolarHBondContact O-N 3.35Å; K977-K979 PolarHBondContact O-N 3.17Å
978C83.3Confident86.6Confident55 Ų5555.4 Ų55.437%0.37226%0.261SS..THydrogen-bonded Turntrans-764.3173.3-65.10000113.9I974 L975 E976 Q980I974-C978 PolarHBondContact O-N 3.41Å; I974-C978 PolarHBondContact O-SG 2.99Å; L975-C978 CarbonylContact O-C 3.5Å; L975-C978 WeakPolarHBondContact O-CA 3.37Å; L975-C978 PolarHBondContact O-N 3.46Å; L975-C978 VanDerWaalsContact O-N 3.13Å; E976-C978 VanDerWaalsContact C-N 3.29Å; E976-C978 PolarHBondContact O-N 3.13Å; C978-Q980 VanDerWaalsContact C-N 3.25Å; C978-Q980 HydrophobicContact CB-CG 4.46Å; C978-Q980 PolarHBondContact O-N 3.22Å
979K82.8Confident86.4Confident150 Ų15059.5 Ų59.565%0.65228%0.28SS*.THydrogen-bonded Turntrans61.124.4179.9-55.9-179.2-179.7176.10115L975 E976 K977 W981L975-K979 PolarHBondContact O-N 3.19Å; E976-K979 WeakPolarHBondContact O-CA 3.44Å; E976-K979 PolarHBondContact O-N 3Å; K977-K979 PolarHBondContact O-N 3.17Å; K979-W981 VanDerWaalsContact C-N 3.34Å; K979-W981 HydrophobicContact CB-CZ2 4.11Å; K979-W981 HydrophobicContact CG-CZ2 4.02Å; K979-W981 VanDerWaalsContact O-CD1 3.27Å; K979-W981 PolarHBondContact O-N 3.41Å; K979-W981 PolarHBondContact O-NE1 3.03Å
980Q87Confident86.1Confident74 Ų7460.6 Ų60.635%0.34629%0.289SS..  trans-88.374.4173.2-60.1-58.8-32.200109.1L952 L975 C978 Q982 E983 A984L952-Q980 HydrophobicContact CD1-CG 4.17Å; L975-Q980 HydrophobicContact CB-CB 4.38Å; L975-Q980 HydrophobicContact CD2-CB 4.09Å; L975-Q980 HydrophobicContact CD2-CG 4.25Å; L975-Q980 PolarHBondContact O-N 3.04Å; C978-Q980 VanDerWaalsContact C-N 3.25Å; C978-Q980 HydrophobicContact CB-CG 4.46Å; C978-Q980 PolarHBondContact O-N 3.22Å; Q980-Q982 VanDerWaalsContact C-N 3.34Å; Q980-Q982 PolarHBondContact O-N 3.44Å; Q980-E983 HydrophobicContact CB-CB 4.41Å; Q980-A984 WeakPolarHBondContact O-CB 3.25Å; Q980-A984 PolarHBondContact O-N 2.77Å
981W82Confident85.9Confident85 Ų8557.2 Ų57.232%0.32228%0.275SS..Hα-helixtrans-64.8-34.2-166.4-55.5107.5000113.9E976 K979 A985 V1000 K1003E976-W981 HydrophobicContact CG-CE3 3.98Å; E976-W981 HydrophobicContact CG-CH2 4.34Å; E976-W981 HydrophobicContact CG-CZ3 3.43Å; E976-W981 VanDerWaalsContact CG-CZ3 3.43Å; K979-W981 VanDerWaalsContact C-N 3.34Å; K979-W981 HydrophobicContact CB-CZ2 4.11Å; K979-W981 HydrophobicContact CG-CZ2 4.02Å; K979-W981 VanDerWaalsContact O-CD1 3.27Å; K979-W981 PolarHBondContact O-N 3.41Å; K979-W981 PolarHBondContact O-NE1 3.03Å; W981-A985 VanDerWaalsContact O-CB 3.3Å; W981-A985 WeakPolarHBondContact O-CB 3.49Å; W981-A985 PolarHBondContact O-N 2.9Å; W981-V1000 HydrophobicContact CB-CG1 4.04Å; W981-V1000 HydrophobicContact CE3-CG1 4.14Å; W981-V1000 HydrophobicContact CE3-CG2 4.46Å; W981-V1000 WeakPolarHBondContact O-CG1 3.35Å; W981-K1003 HydrophobicContact CE3-CD 4.01Å; W981-K1003 HydrophobicContact CH2-CD 3.99Å; W981-K1003 HydrophobicContact CZ3-CD 3.65Å
982Q83.5Confident85.6Confident147 Ų14759 Ų5969%0.68729%0.294SS*.Hα-helixtrans-79.4-42.2-174.2-162160.1-8.800111Q980 A985 N986Q980-Q982 VanDerWaalsContact C-N 3.34Å; Q980-Q982 PolarHBondContact O-N 3.44Å; Q982-A985 PolarHBondContact O-N 3.33Å; Q982-N986 VanDerWaalsContact O-CG 3.23Å; Q982-N986 PolarHBondContact O-N 3.33Å; Q982-N986 VanDerWaalsContact O-N 3.09Å; Q982-N986 PolarHBondContact O-ND2 2.89Å
983E85Confident85.4Confident82 Ų8260.3 Ų60.338%0.38330%0.302SS..Hα-helixtrans-66.2-40.3173.2-61.878-175.100111.2L975 Q980 N986 L987L975-E983 HydrophobicContact CD1-CB 4.26Å; Q980-E983 HydrophobicContact CB-CB 4.41Å; E983-N986 PolarHBondContact O-N 3.19Å; E983-L987 WeakPolarHBondContact O-CB 3.27Å; E983-L987 PolarHBondContact O-N 2.83Å
984A86.7Confident85.1Confident0 Ų062.7 Ų62.70%031%0.308CS..Hα-helixtrans-64.1-44.6174.500000111.7L975 E976 Q980 N986 L987 Y988L975-A984 HydrophobicContact CB-CB 4.01Å; E976-A984 HydrophobicContact CB-CB 4.2Å; Q980-A984 WeakPolarHBondContact O-CB 3.25Å; Q980-A984 PolarHBondContact O-N 2.77Å; A984-N986 VanDerWaalsContact C-N 3.34Å; A984-N986 PolarHBondContact O-N 2.96Å; A984-L987 PolarHBondContact O-N 3.4Å; A984-Y988 HydrophobicContact CB-CD2 4.46Å; A984-Y988 HydrophobicContact CB-CE2 4.32Å; A984-Y988 WeakPolarHBondContact O-CB 3.34Å; A984-Y988 WeakPolarHBondContact O-CD2 3.25Å; A984-Y988 PolarHBondContact O-N 3.22Å
985A83.8Confident84.9Confident9 Ų966.7 Ų66.77%0.07433%0.326CS..Hα-helixtrans-60.5-43.3177.100000112W981 Q982 Y988 E989 V1000W981-A985 VanDerWaalsContact O-CB 3.3Å; W981-A985 WeakPolarHBondContact O-CB 3.49Å; W981-A985 PolarHBondContact O-N 2.9Å; Q982-A985 PolarHBondContact O-N 3.33Å; A985-Y988 PolarHBondContact O-N 3.44Å; A985-E989 WeakPolarHBondContact O-CB 3.29Å; A985-E989 PolarHBondContact O-N 3.43Å; A985-V1000 HydrophobicContact CB-CB 4.4Å; A985-V1000 HydrophobicContact CB-CG1 3.84Å
986N86.5Confident84.7Confident86 Ų8668.1 Ų68.146%0.4634%0.336SS..Hα-helixtrans-65.8-42178.1-68.4-13.3000111.9Q982 E983 A984 E989 L990Q982-N986 VanDerWaalsContact O-CG 3.23Å; Q982-N986 PolarHBondContact O-N 3.33Å; Q982-N986 VanDerWaalsContact O-N 3.09Å; Q982-N986 PolarHBondContact O-ND2 2.89Å; E983-N986 PolarHBondContact O-N 3.19Å; A984-N986 VanDerWaalsContact C-N 3.34Å; A984-N986 PolarHBondContact O-N 2.96Å; N986-E989 PolarHBondContact O-N 3.35Å; N986-L990 WeakPolarHBondContact O-CG 3.44Å; N986-L990 PolarHBondContact O-N 2.89Å
987L85.8Confident84.5Confident5 Ų566 Ų663%0.02633%0.327CS..Hα-helixtrans-69.9-34.9176.5-87.7155.5000112.5I956 Q968 A972 L975 E983 A984 E989 L990 A991I956-L987 HydrophobicContact CG1-CD1 4.37Å; I956-L987 HydrophobicContact CG2-CD1 4.45Å; Q968-L987 HydrophobicContact CB-CD2 4.05Å; Q968-L987 HydrophobicContact CG-CD2 4.16Å; A972-L987 HydrophobicContact CB-CB 3.71Å; L975-L987 HydrophobicContact CD1-CD1 3.25Å; E983-L987 WeakPolarHBondContact O-CB 3.27Å; E983-L987 PolarHBondContact O-N 2.83Å; A984-L987 PolarHBondContact O-N 3.4Å; L987-E989 VanDerWaalsContact C-N 3.34Å; L987-L990 PolarHBondContact O-N 3.27Å; L987-A991 WeakPolarHBondContact O-CB 3.25Å; L987-A991 PolarHBondContact O-N 3.23Å
988Y88.2Confident84.4Confident1 Ų157.8 Ų57.80%0.00429%0.291CS..Hα-helixtrans-65.5-36.8171.3-78-53000112.5K969 A972 D973 E976 A984 A985 A991 G992 C993 V1000K969-Y988 HydrophobicContact CG-CE1 4.36Å; A972-Y988 HydrophobicContact CB-CD1 3.6Å; A972-Y988 HydrophobicContact CB-CD2 4.05Å; A972-Y988 HydrophobicContact CB-CE1 3.58Å; A972-Y988 HydrophobicContact CB-CE2 4.04Å; A972-Y988 HydrophobicContact CB-CG 3.83Å; D973-Y988 VanDerWaalsContact CA-OH 3.26Å; D973-Y988 WeakPolarHBondContact CA-OH 3.47Å; D973-Y988 PolarHBondContact N-OH 3.01Å; D973-Y988 WeakPolarHBondContact OD1-CE1 3.2Å; D973-Y988 VanDerWaalsContact OD1-CZ 3.25Å; D973-Y988 PolarHBondContact OD1-OH 3.06Å; E976-Y988 HydrophobicContact CB-CE2 4.3Å; E976-Y988 PolarHBondContact OE2-OH 2.88Å; A984-Y988 HydrophobicContact CB-CD2 4.46Å; A984-Y988 HydrophobicContact CB-CE2 4.32Å; A984-Y988 WeakPolarHBondContact O-CB 3.34Å; A984-Y988 WeakPolarHBondContact O-CD2 3.25Å; A984-Y988 PolarHBondContact O-N 3.22Å; A985-Y988 PolarHBondContact O-N 3.44Å; Y988-A991 CarbonylContact O-C 3.55Å; Y988-A991 PolarHBondContact O-N 3.37Å; Y988-G992 PolarHBondContact O-N 3.31Å; Y988-G992 VanDerWaalsContact O-N 3.13Å; Y988-C993 HydrophobicContact CD1-CB 3.87Å; Y988-C993 PolarHBondContact O-N 2.99Å; Y988-V1000 HydrophobicContact CD2-CG2 4.35Å; Y988-V1000 HydrophobicContact CE2-CG2 4.23Å
989E85.9Confident84.4Confident103 Ų10358 Ų5848%0.48129%0.288SS..Hα-helixtrans-66.5-46.9175-171.4175.816500110.9A985 N986 L987 A991 G992A985-E989 WeakPolarHBondContact O-CB 3.29Å; A985-E989 PolarHBondContact O-N 3.43Å; N986-E989 PolarHBondContact O-N 3.35Å; L987-E989 VanDerWaalsContact C-N 3.34Å; E989-A991 PolarHBondContact O-N 3.21Å; E989-G992 PolarHBondContact O-N 3.02Å
990L84.1Confident84.5Confident112 Ų11250.9 Ų50.959%0.58626%0.257SS*.Hα-helixtrans-59.7-34.4173.6-72.4171.1000112.4N986 L987 G992N986-L990 WeakPolarHBondContact O-CG 3.44Å; N986-L990 PolarHBondContact O-N 2.89Å; L987-L990 PolarHBondContact O-N 3.27Å; L990-G992 VanDerWaalsContact C-N 3.31Å; L990-G992 PolarHBondContact O-N 2.62Å
991A83.6Confident84.3Confident7 Ų748.2 Ų48.26%0.05825%0.245CC..THydrogen-bonded Turntrans-83.53.9176.600000114.4S965 Q968 K969 L987 Y988 E989 C993S965-A991 PolarHBondContact OG-O 2.91Å; S965-A991 VanDerWaalsContact OG-O 3.09Å; Q968-A991 HydrophobicContact CB-CB 4.01Å; K969-A991 HydrophobicContact CB-CB 3.99Å; L987-A991 WeakPolarHBondContact O-CB 3.25Å; L987-A991 PolarHBondContact O-N 3.23Å; Y988-A991 CarbonylContact O-C 3.55Å; Y988-A991 PolarHBondContact O-N 3.37Å; E989-A991 PolarHBondContact O-N 3.21Å; A991-C993 PolarHBondContact O-N 3.48Å
992G83Confident84.3Confident38 Ų3845.3 Ų45.339%0.39224%0.236SC..THydrogen-bonded Turntrans66.816.118000000115.7Y988 E989 L990 Y994Y988-G992 PolarHBondContact O-N 3.31Å; Y988-G992 VanDerWaalsContact O-N 3.13Å; E989-G992 PolarHBondContact O-N 3.02Å; L990-G992 VanDerWaalsContact C-N 3.31Å; L990-G992 PolarHBondContact O-N 2.62Å; G992-Y994 WeakPolarHBondContact O-CD2 3.31Å; G992-Y994 PolarHBondContact O-N 2.7Å
993C85.5Confident84.1Confident27 Ų2743.5 Ų43.518%0.18223%0.226CC..  trans-91.571.7-177.2-68.30000111.7Y988 A991 E995 S996 A997Y988-C993 HydrophobicContact CD1-CB 3.87Å; Y988-C993 PolarHBondContact O-N 2.99Å; A991-C993 PolarHBondContact O-N 3.48Å; C993-E995 VanDerWaalsContact C-N 3.34Å; C993-E995 PolarHBondContact O-N 3.46Å; C993-S996 PolarHBondContact O-N 3.3Å; C993-A997 PolarHBondContact O-N 2.89Å; C993-A997 VanDerWaalsContact O-N 3.09Å
994Y83.3Confident83.8Confident104 Ų10442.8 Ų42.841%0.40823%0.229SC..Hα-helixtrans-62.7-31.9-172.8-57.2-67.4000114.7G992 A997 V998 L1013 H1016G992-Y994 WeakPolarHBondContact O-CD2 3.31Å; G992-Y994 PolarHBondContact O-N 2.7Å; Y994-A997 CarbonylContact O-C 3.51Å; Y994-A997 WeakPolarHBondContact O-CB 3.26Å; Y994-A997 PolarHBondContact O-N 2.91Å; Y994-V998 VanDerWaalsContact O-CG2 3.3Å; Y994-V998 WeakPolarHBondContact O-CG2 3.44Å; Y994-V998 PolarHBondContact O-N 3.22Å; Y994-L1013 HydrophobicContact CD1-CD2 3.76Å; Y994-H1016 HydrophobicContact CD2-CB 4.4Å; Y994-H1016 HydrophobicContact CG-CB 4.45Å
995E82.7Confident83.4Confident95 Ų9552.2 Ų52.244%0.44427%0.265SS..Hα-helixtrans-62.3-49.2176.5-65.9-168.9162.800112.4C993 A997 V998 I999 V1017 T1020C993-E995 VanDerWaalsContact C-N 3.34Å; C993-E995 PolarHBondContact O-N 3.46Å; E995-A997 VanDerWaalsContact C-N 3.26Å; E995-A997 PolarHBondContact O-N 3.47Å; E995-V998 WeakPolarHBondContact O-CB 3.21Å; E995-V998 PolarHBondContact O-N 2.93Å; E995-V998 VanDerWaalsContact O-N 3.15Å; E995-I999 WeakPolarHBondContact O-CG1 3.31Å; E995-I999 PolarHBondContact O-N 3.2Å; E995-V1017 HydrophobicContact CG-CB 4.38Å; E995-V1017 HydrophobicContact CG-CG1 3.58Å; E995-V1017 HydrophobicContact CG-CG2 3.81Å; E995-V1017 WeakPolarHBondContact OE1-CG1 3.44Å; E995-T1020 WeakPolarHBondContact OE1-CG2 3.31Å
996S83.3Confident83.2Confident31 Ų3154.6 Ų54.622%0.21728%0.276CS..Hα-helixtrans-62.9-38.6175.9-57.90000110.4C993 I999 V1000C993-S996 PolarHBondContact O-N 3.3Å; S996-I999 PolarHBondContact O-N 3.15Å; S996-V1000 WeakPolarHBondContact O-CB 3.49Å; S996-V1000 VanDerWaalsContact O-CG2 3.25Å; S996-V1000 WeakPolarHBondContact O-CG2 3.35Å; S996-V1000 PolarHBondContact O-N 2.67Å
997A83.7Confident82.8Confident2 Ų255.8 Ų55.82%0.01728%0.275CS..Hα-helixtrans-62.1-42.1172.900000112.2C993 Y994 E995 V1000 N1001 L1013C993-A997 PolarHBondContact O-N 2.89Å; C993-A997 VanDerWaalsContact O-N 3.09Å; Y994-A997 CarbonylContact O-C 3.51Å; Y994-A997 WeakPolarHBondContact O-CB 3.26Å; Y994-A997 PolarHBondContact O-N 2.91Å; E995-A997 VanDerWaalsContact C-N 3.26Å; E995-A997 PolarHBondContact O-N 3.47Å; A997-V1000 PolarHBondContact O-N 2.92Å; A997-N1001 VanDerWaalsContact O-CB 3.24Å; A997-N1001 WeakPolarHBondContact O-CB 3.32Å; A997-N1001 PolarHBondContact O-N 2.79Å; A997-N1001 PolarHBondContact O-ND2 3.01Å; A997-L1013 HydrophobicContact CB-CD1 4.28Å
998V82.3Confident82.5Confident0 Ų063.2 Ų63.20%031%0.307CS..Hα-helixtrans-60.4-46.8175.2169.70000110.8Y994 E995 N1001 L1002 V1010 L1013 V1017 L1023Y994-V998 VanDerWaalsContact O-CG2 3.3Å; Y994-V998 WeakPolarHBondContact O-CG2 3.44Å; Y994-V998 PolarHBondContact O-N 3.22Å; E995-V998 WeakPolarHBondContact O-CB 3.21Å; E995-V998 PolarHBondContact O-N 2.93Å; E995-V998 VanDerWaalsContact O-N 3.15Å; V998-N1001 CarbonylContact O-C 3.56Å; V998-N1001 PolarHBondContact O-N 3.2Å; V998-L1002 HydrophobicContact CG1-CD1 4.01Å; V998-L1002 HydrophobicContact CG1-CG 4.34Å; V998-L1002 WeakPolarHBondContact O-CB 3.23Å; V998-L1002 WeakPolarHBondContact O-CG 3.35Å; V998-L1002 PolarHBondContact O-N 2.94Å; V998-V1010 HydrophobicContact CG1-CG1 3.98Å; V998-V1010 HydrophobicContact CG1-CG2 4.42Å; V998-L1013 HydrophobicContact CG2-CB 3.29Å; V998-L1013 HydrophobicContact CG2-CD1 4.1Å; V998-L1013 HydrophobicContact CG2-CG 4.33Å; V998-V1017 HydrophobicContact CG2-CG2 4.29Å; V998-L1023 HydrophobicContact CB-CD1 4.32Å; V998-L1023 HydrophobicContact CG1-CD1 3.99Å; V998-L1023 HydrophobicContact CG1-CD2 4.29Å
999I83.3Confident81.9Confident60 Ų6067.3 Ų67.331%0.30833%0.325SS..Hα-helixtrans-62.2-47.9-178.9-68.7166.2000110.6E995 S996 N1001 L1002 K1003 L1023E995-I999 WeakPolarHBondContact O-CG1 3.31Å; E995-I999 PolarHBondContact O-N 3.2Å; S996-I999 PolarHBondContact O-N 3.15Å; I999-N1001 VanDerWaalsContact C-N 3.3Å; I999-N1001 PolarHBondContact O-N 2.84Å; I999-L1002 PolarHBondContact O-N 2.86Å; I999-K1003 WeakPolarHBondContact O-CG 3.46Å; I999-K1003 PolarHBondContact O-N 3.26Å; I999-K1003 VanDerWaalsContact O-N 3.12Å; I999-L1023 HydrophobicContact CD1-CD2 4.31Å; I999-L1023 HydrophobicContact CG1-CD2 3.64Å
1000V84.7Confident81.5Confident0 Ų062.4 Ų62.40%030%0.302CS..Hα-helixtrans-66.1-35.9179.1179.20000110.4E976 W981 A985 Y988 S996 A997 K1003 C1004E976-V1000 HydrophobicContact CG-CG2 4.27Å; W981-V1000 HydrophobicContact CB-CG1 4.04Å; W981-V1000 HydrophobicContact CE3-CG1 4.14Å; W981-V1000 HydrophobicContact CE3-CG2 4.46Å; W981-V1000 WeakPolarHBondContact O-CG1 3.35Å; A985-V1000 HydrophobicContact CB-CB 4.4Å; A985-V1000 HydrophobicContact CB-CG1 3.84Å; Y988-V1000 HydrophobicContact CD2-CG2 4.35Å; Y988-V1000 HydrophobicContact CE2-CG2 4.23Å; S996-V1000 WeakPolarHBondContact O-CB 3.49Å; S996-V1000 VanDerWaalsContact O-CG2 3.25Å; S996-V1000 WeakPolarHBondContact O-CG2 3.35Å; S996-V1000 PolarHBondContact O-N 2.67Å; A997-V1000 PolarHBondContact O-N 2.92Å; V1000-K1003 WeakPolarHBondContact O-CB 3.36Å; V1000-K1003 PolarHBondContact O-N 2.79Å; V1000-C1004 PolarHBondContact O-N 2.87Å; V1000-C1004 PolarHBondContact O-SG 2.86Å
1001N83.3Confident81.1Confident18 Ų1859.4 Ų59.410%0.09629%0.291CS..Hα-helixtrans-71.4-34.5174.6-83.6-70.2000114.2A997 V998 I999 K1003 C1004 R1005 N1006 V1010A997-N1001 VanDerWaalsContact O-CB 3.24Å; A997-N1001 WeakPolarHBondContact O-CB 3.32Å; A997-N1001 PolarHBondContact O-N 2.79Å; A997-N1001 PolarHBondContact O-ND2 3.01Å; V998-N1001 CarbonylContact O-C 3.56Å; V998-N1001 PolarHBondContact O-N 3.2Å; I999-N1001 VanDerWaalsContact C-N 3.3Å; I999-N1001 PolarHBondContact O-N 2.84Å; N1001-K1003 VanDerWaalsContact C-N 3.3Å; N1001-K1003 PolarHBondContact O-N 2.96Å; N1001-C1004 CarbonylContact O-C 2.95Å; N1001-C1004 WeakPolarHBondContact O-CA 3.34Å; N1001-C1004 PolarHBondContact O-N 2.79Å; N1001-C1004 VanDerWaalsContact O-N 3.15Å; N1001-R1005 PolarHBondContact O-N 3.41Å; N1001-R1005 VanDerWaalsContact O-N 3.11Å; N1001-N1006 HydrophobicContact CB-CB 4.45Å; N1001-N1006 PolarHBondContact O-N 2.93Å; N1001-V1010 HydrophobicContact CB-CG2 3.98Å
1002L82.5Confident80.9Confident25 Ų2564.7 Ų64.713%0.13131%0.314CS..Hα-helixtrans-60.4-41171-85.8171.1000110.5V998 I999 C1004 R1005 Y1007 V1010 L1023 Q1026V998-L1002 HydrophobicContact CG1-CD1 4.01Å; V998-L1002 HydrophobicContact CG1-CG 4.34Å; V998-L1002 WeakPolarHBondContact O-CB 3.23Å; V998-L1002 WeakPolarHBondContact O-CG 3.35Å; V998-L1002 PolarHBondContact O-N 2.94Å; I999-L1002 PolarHBondContact O-N 2.86Å; L1002-C1004 VanDerWaalsContact C-N 3.31Å; L1002-C1004 PolarHBondContact O-N 3.42Å; L1002-R1005 PolarHBondContact O-N 2.79Å; L1002-R1005 VanDerWaalsContact O-N 3.14Å; L1002-Y1007 HydrophobicContact CD2-CD1 4.21Å; L1002-Y1007 HydrophobicContact CD2-CE1 4.24Å; L1002-V1010 HydrophobicContact CB-CG2 4.4Å; L1002-V1010 HydrophobicContact CD1-CG1 4.49Å; L1002-V1010 HydrophobicContact CD2-CB 4.38Å; L1002-V1010 HydrophobicContact CD2-CG1 3.84Å; L1002-V1010 HydrophobicContact CD2-CG2 3.9Å; L1002-V1010 HydrophobicContact CG-CB 4.47Å; L1002-V1010 HydrophobicContact CG-CG1 3.98Å; L1002-V1010 HydrophobicContact CG-CG2 3.68Å; L1002-L1023 HydrophobicContact CD1-CD2 4.27Å; L1002-Q1026 HydrophobicContact CD1-CB 4.36Å
1003K79.2Confident80.7Confident108 Ų10864 Ų6447%0.4730%0.301SS..Hα-helixtrans-64.4-36.4173.4-68173.2-176170.90111.8E976 W981 I999 V1000 N1001 R1005E976-K1003 IonicContact OE1-NZ 3.59Å; E976-K1003 PolarHBondContact OE1-NZ 2.95Å; W981-K1003 HydrophobicContact CE3-CD 4.01Å; W981-K1003 HydrophobicContact CH2-CD 3.99Å; W981-K1003 HydrophobicContact CZ3-CD 3.65Å; I999-K1003 WeakPolarHBondContact O-CG 3.46Å; I999-K1003 PolarHBondContact O-N 3.26Å; I999-K1003 VanDerWaalsContact O-N 3.12Å; V1000-K1003 WeakPolarHBondContact O-CB 3.36Å; V1000-K1003 PolarHBondContact O-N 2.79Å; N1001-K1003 VanDerWaalsContact C-N 3.3Å; N1001-K1003 PolarHBondContact O-N 2.96Å; K1003-R1005 PolarHBondContact O-N 2.91Å
1004C78Confident80.3Confident68 Ų6863.7 Ų63.746%0.45930%0.298SS..THydrogen-bonded Turntrans-79.16.2174.4-63.80000114.3V1000 N1001 L1002 N1006V1000-C1004 PolarHBondContact O-N 2.87Å; V1000-C1004 PolarHBondContact O-SG 2.86Å; N1001-C1004 CarbonylContact O-C 2.95Å; N1001-C1004 WeakPolarHBondContact O-CA 3.34Å; N1001-C1004 PolarHBondContact O-N 2.79Å; N1001-C1004 VanDerWaalsContact O-N 3.15Å; L1002-C1004 VanDerWaalsContact C-N 3.31Å; L1002-C1004 PolarHBondContact O-N 3.42Å; C1004-N1006 PolarHBondContact O-N 3.08Å
1005R77.8Confident79.9Confident198 Ų19865 Ų6575%0.74731%0.31SS*.THydrogen-bonded Turntrans54.730.8-177.7-60.8-174.7178.6-174.8-1.2114.7N1001 L1002 K1003 Y1007N1001-R1005 PolarHBondContact O-N 3.41Å; N1001-R1005 VanDerWaalsContact O-N 3.11Å; L1002-R1005 PolarHBondContact O-N 2.79Å; L1002-R1005 VanDerWaalsContact O-N 3.14Å; K1003-R1005 PolarHBondContact O-N 2.91Å; R1005-Y1007 HydrophobicContact CB-CE2 4.23Å; R1005-Y1007 PolarHBondContact O-N 2.83Å
1006N80.6Confident79.3Confident59 Ų5966.6 Ų66.632%0.31632%0.317SS..  trans-93.769.4178.5-164.3-14.5000111.7N1001 C1004 K1008 K1009 V1010N1001-N1006 HydrophobicContact CB-CB 4.45Å; N1001-N1006 PolarHBondContact O-N 2.93Å; C1004-N1006 PolarHBondContact O-N 3.08Å; N1006-K1008 PolarHBondContact O-N 2.79Å; N1006-K1008 VanDerWaalsContact O-N 3.16Å; N1006-K1009 HydrophobicContact CB-CB 4.44Å; N1006-K1009 WeakPolarHBondContact ND2-CD 3.5Å; N1006-K1009 PolarHBondContact O-N 2.82Å; N1006-K1009 PolarHBondContact OD1-N 3.04Å; N1006-V1010 VanDerWaalsContact O-CG2 3.3Å; N1006-V1010 WeakPolarHBondContact O-CG2 3.31Å; N1006-V1010 PolarHBondContact O-N 2.77Å
1007Y78.2Confident78.6Confident111 Ų11165.4 Ų65.444%0.43531%0.309SS..Hα-helixtrans-63.1-22-173.5-54.6-64.8000114.3L1002 R1005 S1011 A1030L1002-Y1007 HydrophobicContact CD2-CD1 4.21Å; L1002-Y1007 HydrophobicContact CD2-CE1 4.24Å; R1005-Y1007 HydrophobicContact CB-CE2 4.23Å; R1005-Y1007 PolarHBondContact O-N 2.83Å; Y1007-S1011 PolarHBondContact O-N 3.41Å; Y1007-S1011 PolarHBondContact O-OG 2.87Å; Y1007-A1030 HydrophobicContact CE1-CB 4.37Å
1008K78.6Confident77.4Confident161 Ų16170.9 Ų70.970%0.734%0.342SS*.Hα-helixtrans-71.2-51.8174.8-69.9-174.5178.4-177.40111.7N1006 V1010 S1011 E1012N1006-K1008 PolarHBondContact O-N 2.79Å; N1006-K1008 VanDerWaalsContact O-N 3.16Å; K1008-V1010 PolarHBondContact O-N 3.21Å; K1008-S1011 PolarHBondContact O-N 2.82Å; K1008-S1011 PolarHBondContact O-OG 2.83Å; K1008-E1012 WeakPolarHBondContact O-CG 3.35Å; K1008-E1012 PolarHBondContact O-N 2.86Å
1009K76.1Confident76.4Confident86 Ų8678.3 Ų78.337%0.37438%0.382SS..Hα-helixtrans-60.1-33.1171.9-84.2-167.6174.9-171.60111.2N1006 E1012 L1013N1006-K1009 HydrophobicContact CB-CB 4.44Å; N1006-K1009 WeakPolarHBondContact ND2-CD 3.5Å; N1006-K1009 PolarHBondContact O-N 2.82Å; N1006-K1009 PolarHBondContact OD1-N 3.04Å; K1009-E1012 PolarHBondContact O-N 2.82Å; K1009-L1013 HydrophobicContact CB-CD1 4.49Å; K1009-L1013 WeakPolarHBondContact O-CB 3.32Å; K1009-L1013 WeakPolarHBondContact O-CD1 3.38Å; K1009-L1013 WeakPolarHBondContact O-CG 3.14Å; K1009-L1013 PolarHBondContact O-N 2.84Å
1010V78.3Confident75.8Confident0 Ų076.7 Ų76.70%038%0.375CS..Hα-helixtrans-66.6-43.4175.8170.70000112.2V998 N1001 L1002 N1006 K1008 E1012 L1013 L1014 Y1027V998-V1010 HydrophobicContact CG1-CG1 3.98Å; V998-V1010 HydrophobicContact CG1-CG2 4.42Å; N1001-V1010 HydrophobicContact CB-CG2 3.98Å; L1002-V1010 HydrophobicContact CB-CG2 4.4Å; L1002-V1010 HydrophobicContact CD1-CG1 4.49Å; L1002-V1010 HydrophobicContact CD2-CB 4.38Å; L1002-V1010 HydrophobicContact CD2-CG1 3.84Å; L1002-V1010 HydrophobicContact CD2-CG2 3.9Å; L1002-V1010 HydrophobicContact CG-CB 4.47Å; L1002-V1010 HydrophobicContact CG-CG1 3.98Å; L1002-V1010 HydrophobicContact CG-CG2 3.68Å; N1006-V1010 VanDerWaalsContact O-CG2 3.3Å; N1006-V1010 WeakPolarHBondContact O-CG2 3.31Å; N1006-V1010 PolarHBondContact O-N 2.77Å; K1008-V1010 PolarHBondContact O-N 3.21Å; V1010-E1012 VanDerWaalsContact C-N 3.32Å; V1010-E1012 PolarHBondContact O-N 3.31Å; V1010-L1013 PolarHBondContact O-N 2.76Å; V1010-L1014 HydrophobicContact CG1-CD1 3.65Å; V1010-L1014 HydrophobicContact CG1-CG 4.09Å; V1010-L1014 WeakPolarHBondContact O-CB 3.16Å; V1010-L1014 WeakPolarHBondContact O-CG 3.42Å; V1010-L1014 PolarHBondContact O-N 2.81Å; V1010-Y1027 HydrophobicContact CG1-CD2 4.43Å
1011S74.3Confident75.1Confident50 Ų5079.3 Ų79.335%0.3539%0.392SS..Hα-helixtrans-65.6-34.5175.152.70000112.9Y1007 K1008Y1007-S1011 PolarHBondContact O-N 3.41Å; Y1007-S1011 PolarHBondContact O-OG 2.87Å; K1008-S1011 PolarHBondContact O-N 2.82Å; K1008-S1011 PolarHBondContact O-OG 2.83Å
1012E80.4Confident74.8Confident118 Ų11887.5 Ų87.555%0.55142%0.421SS*.Hα-helixtrans-68.9-45.5175.5-70.5166.7-171.300111.2K1008 K1009 V1010K1008-E1012 WeakPolarHBondContact O-CG 3.35Å; K1008-E1012 PolarHBondContact O-N 2.86Å; K1009-E1012 PolarHBondContact O-N 2.82Å; V1010-E1012 VanDerWaalsContact C-N 3.32Å; V1010-E1012 PolarHBondContact O-N 3.31Å
1013L79.1Confident74.6Confident24 Ų2486.7 Ų86.713%0.12642%0.417CS..Hα-helixtrans-74.1-29.2-179.6-68170.3000112.9Y994 A997 V998 K1009 V1010 I1015 H1016 V1017Y994-L1013 HydrophobicContact CD1-CD2 3.76Å; A997-L1013 HydrophobicContact CB-CD1 4.28Å; V998-L1013 HydrophobicContact CG2-CB 3.29Å; V998-L1013 HydrophobicContact CG2-CD1 4.1Å; V998-L1013 HydrophobicContact CG2-CG 4.33Å; K1009-L1013 HydrophobicContact CB-CD1 4.49Å; K1009-L1013 WeakPolarHBondContact O-CB 3.32Å; K1009-L1013 WeakPolarHBondContact O-CD1 3.38Å; K1009-L1013 WeakPolarHBondContact O-CG 3.14Å; K1009-L1013 PolarHBondContact O-N 2.84Å; V1010-L1013 PolarHBondContact O-N 2.76Å; L1013-I1015 PolarHBondContact O-N 2.96Å; L1013-H1016 PolarHBondContact O-N 2.9Å; L1013-V1017 WeakPolarHBondContact O-CG2 3.33Å; L1013-V1017 PolarHBondContact O-N 2.73Å
1014L77Confident74.6Confident20 Ų2084 Ų8411%0.10541%0.407CS..Hα-helixtrans-63.4-23.3176.8-86168.4000112.8V1010 H1016 V1017 L1023 Y1027V1010-L1014 HydrophobicContact CG1-CD1 3.65Å; V1010-L1014 HydrophobicContact CG1-CG 4.09Å; V1010-L1014 WeakPolarHBondContact O-CB 3.16Å; V1010-L1014 WeakPolarHBondContact O-CG 3.42Å; V1010-L1014 PolarHBondContact O-N 2.81Å; L1014-H1016 VanDerWaalsContact C-N 3.31Å; L1014-V1017 PolarHBondContact O-N 3.18Å; L1014-L1023 HydrophobicContact CD2-CB 3.88Å; L1014-Y1027 HydrophobicContact CD1-CD2 4.19Å; L1014-Y1027 HydrophobicContact CD1-CG 4.22Å
1015I73.9Confident74.7Confident131 Ų13182.5 Ų82.567%0.67239%0.394SS*.Hα-helixtrans-69.7-33.2174.2-59.6166.2000110.6L1013 V1017L1013-I1015 PolarHBondContact O-N 2.96Å; I1015-V1017 VanDerWaalsContact C-N 3.29Å
1016H70.9Confident74.9Confident128 Ų12877 Ų7759%0.59338%0.376SS*.Hα-helixtrans-82.1-8.5177.7-63.2-62.6000113.2Y994 L1013 L1014Y994-H1016 HydrophobicContact CD2-CB 4.4Å; Y994-H1016 HydrophobicContact CG-CB 4.45Å; L1013-H1016 PolarHBondContact O-N 2.9Å; L1014-H1016 VanDerWaalsContact C-N 3.31Å
1017V68.3Low75Confident7 Ų776.9 Ų76.94%0.04237%0.372CS..  trans-108.588.4178.6-176.70000109.1E995 V998 L1013 L1014 I1015 T1020 L1023E995-V1017 HydrophobicContact CG-CB 4.38Å; E995-V1017 HydrophobicContact CG-CG1 3.58Å; E995-V1017 HydrophobicContact CG-CG2 3.81Å; E995-V1017 WeakPolarHBondContact OE1-CG1 3.44Å; V998-V1017 HydrophobicContact CG2-CG2 4.29Å; L1013-V1017 WeakPolarHBondContact O-CG2 3.33Å; L1013-V1017 PolarHBondContact O-N 2.73Å; L1014-V1017 PolarHBondContact O-N 3.18Å; I1015-V1017 VanDerWaalsContact C-N 3.29Å; V1017-T1020 HydrophobicContact CG1-CG2 4.2Å; V1017-T1020 WeakPolarHBondContact CG1-OG1 3.5Å; V1017-L1023 HydrophobicContact CG1-CD1 4.28Å
1018T58.5Low75.2Confident117 Ų11771.6 Ų71.672%0.71835%0.351SS*.THydrogen-bonded Turntrans-80.6134.5171.550.90000109.2
1019N62.2Low75.4Confident155 Ų15569.3 Ų69.383%0.82934%0.341SS*.THydrogen-bonded Turntrans7838176.1-69.3-22.4000120P1021N1019-P1021 WeakPolarHBondContact O-CD 3.27Å
1020T70Confident75.6Confident26 Ų2666.5 Ų66.516%0.1633%0.334CS..  trans-122.385.2167.642.90000114.4E995 V1017 R1022 L1023 H1024E995-T1020 WeakPolarHBondContact OE1-CG2 3.31Å; V1017-T1020 HydrophobicContact CG1-CG2 4.2Å; V1017-T1020 WeakPolarHBondContact CG1-OG1 3.5Å; T1020-R1022 PolarHBondContact O-N 2.98Å; T1020-L1023 PolarHBondContact O-N 2.98Å; T1020-H1024 PolarHBondContact O-CD2 3.4Å; T1020-H1024 VanDerWaalsContact O-CD2 3.31Å; T1020-H1024 PolarHBondContact O-N 3.44Å
1021P69.1Low75.8Confident55 Ų5569.3 Ų69.336%0.35734%0.344SS..Hα-helixtrans-50.4-32.2175.2-28.635.4000113.6N1019 H1024 L1025 A1047N1019-P1021 WeakPolarHBondContact O-CD 3.27Å; P1021-H1024 CarbonylContact O-C 3.34Å; P1021-H1024 PolarHBondContact O-N 2.97Å; P1021-L1025 WeakPolarHBondContact O-CB 3.28Å; P1021-L1025 PolarHBondContact O-N 2.83Å; P1021-A1047 WeakPolarHBondContact O-CB 2.99Å
1022R77.8Confident76.2Confident190 Ų19069.1 Ų69.172%0.71734%0.338SS*.Hα-helixtrans-65-39.6179.3-176.8179.2174.3170.6-0.6113.2T1020 L1025 Q1026T1020-R1022 PolarHBondContact O-N 2.98Å; R1022-L1025 WeakPolarHBondContact O-CB 3.34Å; R1022-L1025 PolarHBondContact O-N 2.81Å; R1022-Q1026 PolarHBondContact O-N 2.81Å
1023L79Confident76.2Confident9 Ų969.3 Ų69.35%0.04735%0.348CS..Hα-helixtrans-73.9-38.2177.9-65.4-179.6000109.9V998 I999 L1002 L1014 V1017 T1020 L1025 Q1026 Y1027V998-L1023 HydrophobicContact CB-CD1 4.32Å; V998-L1023 HydrophobicContact CG1-CD1 3.99Å; V998-L1023 HydrophobicContact CG1-CD2 4.29Å; I999-L1023 HydrophobicContact CD1-CD2 4.31Å; I999-L1023 HydrophobicContact CG1-CD2 3.64Å; L1002-L1023 HydrophobicContact CD1-CD2 4.27Å; L1014-L1023 HydrophobicContact CD2-CB 3.88Å; V1017-L1023 HydrophobicContact CG1-CD1 4.28Å; T1020-L1023 PolarHBondContact O-N 2.98Å; L1023-L1025 VanDerWaalsContact C-N 3.29Å; L1023-L1025 PolarHBondContact O-N 3.45Å; L1023-Q1026 PolarHBondContact O-N 3Å; L1023-Y1027 VanDerWaalsContact O-CB 3.27Å; L1023-Y1027 WeakPolarHBondContact O-CB 3.41Å; L1023-Y1027 PolarHBondContact O-N 3.41Å
1024H78.3Confident76.2Confident52 Ų5273.4 Ų73.424%0.24137%0.369CS..Hα-helixtrans-60.2-36.2168.9-70.3-73.9000112.5T1020 P1021 Y1027 A1028 A1047T1020-H1024 PolarHBondContact O-CD2 3.4Å; T1020-H1024 VanDerWaalsContact O-CD2 3.31Å; T1020-H1024 PolarHBondContact O-N 3.44Å; P1021-H1024 CarbonylContact O-C 3.34Å; P1021-H1024 PolarHBondContact O-N 2.97Å; H1024-Y1027 CarbonylContact O-C 3.46Å; H1024-Y1027 PolarHBondContact O-N 2.87Å; H1024-A1028 WeakPolarHBondContact O-CB 3.49Å; H1024-A1028 PolarHBondContact O-N 3.35Å; H1024-A1047 HydrophobicContact CB-CB 4.27Å
1025L80.6Confident76.2Confident36 Ų3674.3 Ų74.319%0.18838%0.384CS..Hα-helixtrans-68.4-42.5175.6-170.375000112.5P1021 R1022 L1023 Y1027 A1028 K1029 Y1044 A1047 E1049P1021-L1025 WeakPolarHBondContact O-CB 3.28Å; P1021-L1025 PolarHBondContact O-N 2.83Å; R1022-L1025 WeakPolarHBondContact O-CB 3.34Å; R1022-L1025 PolarHBondContact O-N 2.81Å; L1023-L1025 VanDerWaalsContact C-N 3.29Å; L1023-L1025 PolarHBondContact O-N 3.45Å; L1025-Y1027 VanDerWaalsContact C-N 3.28Å; L1025-A1028 PolarHBondContact O-N 3.5Å; L1025-K1029 WeakPolarHBondContact O-CG 3.25Å; L1025-K1029 PolarHBondContact O-N 3.01Å; L1025-Y1044 HydrophobicContact CD1-CD1 3.68Å; L1025-Y1044 HydrophobicContact CD1-CE1 3.62Å; L1025-A1047 HydrophobicContact CB-CB 3.96Å; L1025-A1047 HydrophobicContact CD1-CB 4.04Å; L1025-E1049 HydrophobicContact CD1-CB 3.85Å; L1025-E1049 HydrophobicContact CD1-CG 4.02Å
1026Q81Confident76.6Confident82 Ų8269.2 Ų69.238%0.38336%0.361SS..Hα-helixtrans-66.1-37.5176.2-75.4-174.9-12.900111.1L1002 R1022 L1023 A1030L1002-Q1026 HydrophobicContact CD1-CB 4.36Å; R1022-Q1026 PolarHBondContact O-N 2.81Å; L1023-Q1026 PolarHBondContact O-N 3Å; Q1026-A1030 WeakPolarHBondContact O-CB 3.29Å; Q1026-A1030 PolarHBondContact O-N 2.95Å; Q1026-A1030 VanDerWaalsContact O-N 3.12Å
1027Y83.1Confident77.1Confident57 Ų5768.9 Ų68.922%0.22436%0.356CS..Hα-helixtrans-65.2-47.7170.9-172.2-103.3000111.3V1010 L1014 L1023 H1024 L1025 K1029 A1030 R1031V1010-Y1027 HydrophobicContact CG1-CD2 4.43Å; L1014-Y1027 HydrophobicContact CD1-CD2 4.19Å; L1014-Y1027 HydrophobicContact CD1-CG 4.22Å; L1023-Y1027 VanDerWaalsContact O-CB 3.27Å; L1023-Y1027 WeakPolarHBondContact O-CB 3.41Å; L1023-Y1027 PolarHBondContact O-N 3.41Å; H1024-Y1027 CarbonylContact O-C 3.46Å; H1024-Y1027 PolarHBondContact O-N 2.87Å; L1025-Y1027 VanDerWaalsContact C-N 3.28Å; Y1027-K1029 VanDerWaalsContact C-N 3.35Å; Y1027-K1029 PolarHBondContact O-N 3.11Å; Y1027-A1030 CarbonylContact O-C 3.57Å; Y1027-A1030 WeakPolarHBondContact O-CA 3.5Å; Y1027-A1030 WeakPolarHBondContact O-CB 3.37Å; Y1027-A1030 PolarHBondContact O-N 3.46Å; Y1027-A1030 VanDerWaalsContact O-N 3.09Å; Y1027-R1031 HydrophobicContact CD1-CG 3.96Å; Y1027-R1031 HydrophobicContact CE1-CG 3.64Å; Y1027-R1031 HydrophobicContact CE2-CG 4.29Å; Y1027-R1031 HydrophobicContact CG-CG 4.41Å; Y1027-R1031 VanDerWaalsContact O-CG 3.29Å; Y1027-R1031 WeakPolarHBondContact O-CG 3.34Å; Y1027-R1031 PolarHBondContact O-N 3.02Å
1028A82.5Confident77.6Confident0 Ų077 Ų770%039%0.39CS..Hα-helixtrans-57.3-45178.900000111.8H1024 L1025 R1031 E1032 A1043 Y1044H1024-A1028 WeakPolarHBondContact O-CB 3.49Å; H1024-A1028 PolarHBondContact O-N 3.35Å; L1025-A1028 PolarHBondContact O-N 3.5Å; A1028-R1031 CarbonylContact O-C 3.6Å; A1028-R1031 PolarHBondContact O-N 2.63Å; A1028-E1032 PolarHBondContact O-N 3.42Å; A1028-A1043 HydrophobicContact CB-CB 3.53Å; A1028-Y1044 HydrophobicContact CB-CD1 3.78Å; A1028-Y1044 HydrophobicContact CB-CD2 4.2Å; A1028-Y1044 HydrophobicContact CB-CE1 3.73Å; A1028-Y1044 HydrophobicContact CB-CE2 4.13Å; A1028-Y1044 HydrophobicContact CB-CG 4Å
1029K83.1Confident78.5Confident113 Ų11375 Ų7549%0.49138%0.375SS..Hα-helixtrans-62.7-44.5174.9-74.9176.9179.8-178.20111.9L1025 Y1027 R1031 E1032 T1033 Y1044L1025-K1029 WeakPolarHBondContact O-CG 3.25Å; L1025-K1029 PolarHBondContact O-N 3.01Å; Y1027-K1029 VanDerWaalsContact C-N 3.35Å; Y1027-K1029 PolarHBondContact O-N 3.11Å; K1029-R1031 PolarHBondContact O-N 3.02Å; K1029-E1032 PolarHBondContact O-N 3.36Å; K1029-T1033 WeakPolarHBondContact O-CG2 3.02Å; K1029-T1033 PolarHBondContact O-N 2.88Å; K1029-T1033 VanDerWaalsContact O-N 3.12Å; K1029-T1033 PolarHBondContact O-OG1 3.33Å; K1029-Y1044 HydrophobicContact CG-CE1 4.3Å; K1029-Y1044 WeakPolarHBondContact CG-OH 3.46Å
1030A79.7Confident79.4Confident26 Ų2667.6 Ų67.622%0.21534%0.335CS..Hα-helixtrans-63.3-31175.900000111.9Y1007 Q1026 Y1027 T1033 D1034Y1007-A1030 HydrophobicContact CE1-CB 4.37Å; Q1026-A1030 WeakPolarHBondContact O-CB 3.29Å; Q1026-A1030 PolarHBondContact O-N 2.95Å; Q1026-A1030 VanDerWaalsContact O-N 3.12Å; Y1027-A1030 CarbonylContact O-C 3.57Å; Y1027-A1030 WeakPolarHBondContact O-CA 3.5Å; Y1027-A1030 WeakPolarHBondContact O-CB 3.37Å; Y1027-A1030 PolarHBondContact O-N 3.46Å; Y1027-A1030 VanDerWaalsContact O-N 3.09Å; A1030-T1033 WeakPolarHBondContact CA-OG1 3.37Å; A1030-T1033 PolarHBondContact O-OG1 3.48Å; A1030-D1034 PolarHBondContact O-N 2.86Å
1031R82.7Confident80Confident59 Ų5967.4 Ų67.422%0.22333%0.334CS..Hα-helixtrans-82-35.1176.3-64.7-62.3-67.41562.9113.9Y1027 A1028 K1029 T1033 D1034 G1035 A1036 D1039Y1027-R1031 HydrophobicContact CD1-CG 3.96Å; Y1027-R1031 HydrophobicContact CE1-CG 3.64Å; Y1027-R1031 HydrophobicContact CE2-CG 4.29Å; Y1027-R1031 HydrophobicContact CG-CG 4.41Å; Y1027-R1031 VanDerWaalsContact O-CG 3.29Å; Y1027-R1031 WeakPolarHBondContact O-CG 3.34Å; Y1027-R1031 PolarHBondContact O-N 3.02Å; A1028-R1031 CarbonylContact O-C 3.6Å; A1028-R1031 PolarHBondContact O-N 2.63Å; K1029-R1031 PolarHBondContact O-N 3.02Å; R1031-T1033 VanDerWaalsContact C-N 3.28Å; R1031-T1033 PolarHBondContact O-N 3.21Å; R1031-D1034 IonicContact CZ-OD2 3.43Å; R1031-D1034 IonicContact NH1-OD2 3.23Å; R1031-D1034 PolarHBondContact NH1-OD2 3.33Å; R1031-D1034 CarbonylContact O-C 3.52Å; R1031-D1034 WeakPolarHBondContact O-CA 3.02Å; R1031-D1034 WeakPolarHBondContact O-CB 3.33Å; R1031-D1034 PolarHBondContact O-N 2.85Å; R1031-G1035 PolarHBondContact O-N 3.13Å; R1031-A1036 PolarHBondContact O-N 3.05Å; R1031-D1039 IonicContact CZ-OD2 3.42Å; R1031-D1039 IonicContact NE-OD2 2.73Å; R1031-D1039 IonicContact NH2-OD2 2.77Å; R1031-D1039 PolarHBondContact NH2-OD2 3.29Å
1032E82.6Confident80.6Confident46 Ų4671.3 Ų71.322%0.21535%0.348CS..Hα-helixtrans-61.1-40.5171.8-173.8177.8-166.400109.9A1028 K1029 D1034 G1035 Y1037 A1040 Y1044 R1055A1028-E1032 PolarHBondContact O-N 3.42Å; K1029-E1032 PolarHBondContact O-N 3.36Å; E1032-D1034 VanDerWaalsContact C-N 3.25Å; E1032-D1034 PolarHBondContact O-N 3.45Å; E1032-G1035 PolarHBondContact O-N 2.65Å; E1032-G1035 VanDerWaalsContact O-N 3.15Å; E1032-Y1037 HydrophobicContact CG-CD1 4.42Å; E1032-Y1037 HydrophobicContact CG-CE1 4.29Å; E1032-A1040 HydrophobicContact CB-CB 4.13Å; E1032-Y1044 HydrophobicContact CB-CE2 4.31Å; E1032-Y1044 PolarHBondContact OE2-OH 3.37Å; E1032-R1055 IonicContact OE1-CZ 3.65Å; E1032-R1055 IonicContact OE1-NH1 3.84Å; E1032-R1055 IonicContact OE1-NH2 3.98Å; E1032-R1055 PolarHBondContact OE1-NH2 3.21Å; E1032-R1055 IonicContact OE2-NH2 2.83Å
1033T80.4Confident80.7Confident123 Ų12362.7 Ų62.776%0.75532%0.317SS*.Hα-helixtrans-67.7-24.8173.553.10000113.6K1029 A1030 R1031 G1035K1029-T1033 WeakPolarHBondContact O-CG2 3.02Å; K1029-T1033 PolarHBondContact O-N 2.88Å; K1029-T1033 VanDerWaalsContact O-N 3.12Å; K1029-T1033 PolarHBondContact O-OG1 3.33Å; A1030-T1033 WeakPolarHBondContact CA-OG1 3.37Å; A1030-T1033 PolarHBondContact O-OG1 3.48Å; R1031-T1033 VanDerWaalsContact C-N 3.28Å; R1031-T1033 PolarHBondContact O-N 3.21Å; T1033-G1035 VanDerWaalsContact C-N 3.28Å
1034D79.6Confident81Confident109 Ų10962.4 Ų62.458%0.58332%0.316SS*.THydrogen-bonded Turntrans-83.5-2.6175.5-159.355.9000112.5A1030 R1031 E1032A1030-D1034 PolarHBondContact O-N 2.86Å; R1031-D1034 IonicContact CZ-OD2 3.43Å; R1031-D1034 IonicContact NH1-OD2 3.23Å; R1031-D1034 PolarHBondContact NH1-OD2 3.33Å; R1031-D1034 CarbonylContact O-C 3.52Å; R1031-D1034 WeakPolarHBondContact O-CA 3.02Å; R1031-D1034 WeakPolarHBondContact O-CB 3.33Å; R1031-D1034 PolarHBondContact O-N 2.85Å; E1032-D1034 VanDerWaalsContact C-N 3.25Å; E1032-D1034 PolarHBondContact O-N 3.45Å
1035G77Confident81.2Confident40 Ų4064.4 Ų64.441%0.41233%0.325SS..THydrogen-bonded Turntrans85.64.5175.200000115.8R1031 E1032 T1033 Y1037R1031-G1035 PolarHBondContact O-N 3.13Å; E1032-G1035 PolarHBondContact O-N 2.65Å; E1032-G1035 VanDerWaalsContact O-N 3.15Å; T1033-G1035 VanDerWaalsContact C-N 3.28Å; G1035-Y1037 PolarHBondContact O-N 2.95Å
1036A81.3Confident81.1Confident23 Ų2366.1 Ų66.119%0.1934%0.337CS..  trans-89.974.8-178.300000112.1R1031 K1038 D1039 A1040R1031-A1036 PolarHBondContact O-N 3.05Å; A1036-K1038 VanDerWaalsContact C-N 3.29Å; A1036-K1038 PolarHBondContact O-N 3.49Å; A1036-D1039 HydrophobicContact CB-CB 4.21Å; A1036-D1039 PolarHBondContact O-N 2.88Å; A1036-A1040 WeakPolarHBondContact O-CB 3.19Å; A1036-A1040 PolarHBondContact O-N 3.39Å
1037Y81.3Confident80.9Confident122 Ų12262.8 Ų62.848%0.47832%0.323SS..Hα-helixtrans-64.2-24.1-171.9-57.1-62.6000115.3E1032 G1035 V1041 L1056E1032-Y1037 HydrophobicContact CG-CD1 4.42Å; E1032-Y1037 HydrophobicContact CG-CE1 4.29Å; G1035-Y1037 PolarHBondContact O-N 2.95Å; Y1037-V1041 WeakPolarHBondContact O-CB 3.45Å; Y1037-V1041 WeakPolarHBondContact O-CG2 3.49Å; Y1037-V1041 PolarHBondContact O-N 3.05Å; Y1037-L1056 HydrophobicContact CD1-CD2 4.31Å
1038K80Confident80.6Confident177 Ų17766 Ų6677%0.7734%0.34SS*.Hα-helixtrans-76.1-49.6176.3-68.7-175.6-179.9-179.70111.8A1036 A1040 V1041 E1042A1036-K1038 VanDerWaalsContact C-N 3.29Å; A1036-K1038 PolarHBondContact O-N 3.49Å; K1038-A1040 PolarHBondContact O-N 3.31Å; K1038-V1041 PolarHBondContact O-N 3.44Å; K1038-V1041 VanDerWaalsContact O-N 3.09Å; K1038-E1042 PolarHBondContact O-N 3.36Å
1039D77Confident80.6Confident74 Ų7469.3 Ų69.340%0.39636%0.355SS..Hα-helixtrans-58.4-36.6172.5-56.6-4.2000110.7R1031 A1036 A1043R1031-D1039 IonicContact CZ-OD2 3.42Å; R1031-D1039 IonicContact NE-OD2 2.73Å; R1031-D1039 IonicContact NH2-OD2 2.77Å; R1031-D1039 PolarHBondContact NH2-OD2 3.29Å; A1036-D1039 HydrophobicContact CB-CB 4.21Å; A1036-D1039 PolarHBondContact O-N 2.88Å; D1039-A1043 WeakPolarHBondContact O-CB 3.44Å; D1039-A1043 PolarHBondContact O-N 3.26Å
1040A80.9Confident80.6Confident0 Ų065.8 Ų65.80%034%0.34CS..Hα-helixtrans-67.8-43174.700000111.9E1032 A1036 K1038 A1043 Y1044E1032-A1040 HydrophobicContact CB-CB 4.13Å; A1036-A1040 WeakPolarHBondContact O-CB 3.19Å; A1036-A1040 PolarHBondContact O-N 3.39Å; K1038-A1040 PolarHBondContact O-N 3.31Å; A1040-A1043 PolarHBondContact O-N 3.2Å; A1040-Y1044 HydrophobicContact CB-CD2 4.2Å; A1040-Y1044 HydrophobicContact CB-CE2 4.15Å; A1040-Y1044 WeakPolarHBondContact O-CB 3.14Å; A1040-Y1044 WeakPolarHBondContact O-CD2 3.39Å; A1040-Y1044 VanDerWaalsContact O-CG 3.27Å; A1040-Y1044 PolarHBondContact O-N 3.12Å
1041V82.8Confident80.7Confident23 Ų2366.8 Ų66.814%0.13934%0.342CS..Hα-helixtrans-63.2-42.4175.41680000111.1Y1037 K1038 Y1044 E1045 L1056Y1037-V1041 WeakPolarHBondContact O-CB 3.45Å; Y1037-V1041 WeakPolarHBondContact O-CG2 3.49Å; Y1037-V1041 PolarHBondContact O-N 3.05Å; K1038-V1041 PolarHBondContact O-N 3.44Å; K1038-V1041 VanDerWaalsContact O-N 3.09Å; V1041-Y1044 PolarHBondContact O-N 2.52Å; V1041-E1045 VanDerWaalsContact O-CB 3.25Å; V1041-E1045 WeakPolarHBondContact O-CB 3.38Å; V1041-E1045 PolarHBondContact O-N 3.15Å; V1041-L1056 HydrophobicContact CG2-CB 4.31Å; V1041-L1056 HydrophobicContact CG2-CD1 3.7Å
1042E81.3Confident80.7Confident136 Ų13664.9 Ų64.964%0.63634%0.338SS*.Hα-helixtrans-66.9-42.4177.4-171.3174-171.200111.5K1038 E1045 T1046K1038-E1042 PolarHBondContact O-N 3.36Å; E1042-E1045 PolarHBondContact O-N 3.31Å; E1042-T1046 WeakPolarHBondContact O-CB 3.49Å; E1042-T1046 WeakPolarHBondContact O-CG2 3.42Å; E1042-T1046 PolarHBondContact O-N 3.47Å; E1042-T1046 PolarHBondContact O-OG1 2.73Å
1043A80.6Confident80.8Confident9 Ų962.8 Ų62.87%0.07433%0.328CS..Hα-helixtrans-67.6-33.117400000112.5A1028 D1039 A1040 T1046 A1047A1028-A1043 HydrophobicContact CB-CB 3.53Å; D1039-A1043 WeakPolarHBondContact O-CB 3.44Å; D1039-A1043 PolarHBondContact O-N 3.26Å; A1040-A1043 PolarHBondContact O-N 3.2Å; A1043-T1046 VanDerWaalsContact CA-OG1 3.27Å; A1043-T1046 WeakPolarHBondContact CA-OG1 3.16Å; A1043-T1046 PolarHBondContact O-OG1 3.11Å; A1043-T1046 VanDerWaalsContact O-OG1 3.06Å; A1043-A1047 WeakPolarHBondContact O-CB 3.45Å; A1043-A1047 PolarHBondContact O-N 3.14Å
1044Y85.2Confident80.9Confident4 Ų456.9 Ų56.92%0.01629%0.292CS..Hα-helixtrans-74.5-36.1174.4-81-52.9000112.3L1025 A1028 K1029 E1032 A1040 V1041 A1047 H1048 E1049L1025-Y1044 HydrophobicContact CD1-CD1 3.68Å; L1025-Y1044 HydrophobicContact CD1-CE1 3.62Å; A1028-Y1044 HydrophobicContact CB-CD1 3.78Å; A1028-Y1044 HydrophobicContact CB-CD2 4.2Å; A1028-Y1044 HydrophobicContact CB-CE1 3.73Å; A1028-Y1044 HydrophobicContact CB-CE2 4.13Å; A1028-Y1044 HydrophobicContact CB-CG 4Å; K1029-Y1044 HydrophobicContact CG-CE1 4.3Å; K1029-Y1044 WeakPolarHBondContact CG-OH 3.46Å; E1032-Y1044 HydrophobicContact CB-CE2 4.31Å; E1032-Y1044 PolarHBondContact OE2-OH 3.37Å; A1040-Y1044 HydrophobicContact CB-CD2 4.2Å; A1040-Y1044 HydrophobicContact CB-CE2 4.15Å; A1040-Y1044 WeakPolarHBondContact O-CB 3.14Å; A1040-Y1044 WeakPolarHBondContact O-CD2 3.39Å; A1040-Y1044 VanDerWaalsContact O-CG 3.27Å; A1040-Y1044 PolarHBondContact O-N 3.12Å; V1041-Y1044 PolarHBondContact O-N 2.52Å; Y1044-A1047 CarbonylContact O-C 3.59Å; Y1044-A1047 PolarHBondContact O-N 3.34Å; Y1044-H1048 PolarHBondContact O-N 3.14Å; Y1044-E1049 HydrophobicContact CD1-CB 3.6Å; Y1044-E1049 HydrophobicContact CD1-CG 3.88Å; Y1044-E1049 HydrophobicContact CE1-CB 4.39Å; Y1044-E1049 HydrophobicContact CE1-CG 4.24Å; Y1044-E1049 HydrophobicContact CG-CB 4.31Å; Y1044-E1049 PolarHBondContact O-N 3.14Å
1045E81.9Confident81.3Confident94 Ų9454.6 Ų54.644%0.43928%0.275SS..Hα-helixtrans-71.8-41.8176.9-172168.8-169.100111.1V1041 E1042 A1047 H1048V1041-E1045 VanDerWaalsContact O-CB 3.25Å; V1041-E1045 WeakPolarHBondContact O-CB 3.38Å; V1041-E1045 PolarHBondContact O-N 3.15Å; E1042-E1045 PolarHBondContact O-N 3.31Å; E1045-A1047 PolarHBondContact O-N 3.05Å; E1045-H1048 PolarHBondContact O-N 3.3Å; E1045-H1048 VanDerWaalsContact O-N 3.09Å
1046T78.5Confident81.7Confident72 Ų7252.9 Ų52.944%0.44226%0.256SS..Hα-helixtrans-66.3-27.7169.651.10000112.3E1042 A1043 H1048E1042-T1046 WeakPolarHBondContact O-CB 3.49Å; E1042-T1046 WeakPolarHBondContact O-CG2 3.42Å; E1042-T1046 PolarHBondContact O-N 3.47Å; E1042-T1046 PolarHBondContact O-OG1 2.73Å; A1043-T1046 VanDerWaalsContact CA-OG1 3.27Å; A1043-T1046 WeakPolarHBondContact CA-OG1 3.16Å; A1043-T1046 PolarHBondContact O-OG1 3.11Å; A1043-T1046 VanDerWaalsContact O-OG1 3.06Å; T1046-H1048 VanDerWaalsContact C-N 3.35Å
1047A77Confident81.8Confident11 Ų1153.2 Ų53.29%0.09125%0.254CS..THydrogen-bonded Turntrans-84.2-0.9171.200000114.8P1021 H1024 L1025 A1043 Y1044 E1045 E1049P1021-A1047 WeakPolarHBondContact O-CB 2.99Å; H1024-A1047 HydrophobicContact CB-CB 4.27Å; L1025-A1047 HydrophobicContact CB-CB 3.96Å; L1025-A1047 HydrophobicContact CD1-CB 4.04Å; A1043-A1047 WeakPolarHBondContact O-CB 3.45Å; A1043-A1047 PolarHBondContact O-N 3.14Å; Y1044-A1047 CarbonylContact O-C 3.59Å; Y1044-A1047 PolarHBondContact O-N 3.34Å; E1045-A1047 PolarHBondContact O-N 3.05Å; A1047-E1049 VanDerWaalsContact C-N 3.27Å; A1047-E1049 PolarHBondContact O-N 3.22Å
1048H77.9Confident81.8Confident125 Ų12548.9 Ų48.958%0.57924%0.239SC*.THydrogen-bonded Turntrans58.925.6-176.1-61.7-54.5000116.1Y1044 E1045 T1046 F1050Y1044-H1048 PolarHBondContact O-N 3.14Å; E1045-H1048 PolarHBondContact O-N 3.3Å; E1045-H1048 VanDerWaalsContact O-N 3.09Å; T1046-H1048 VanDerWaalsContact C-N 3.35Å; H1048-F1050 VanDerWaalsContact C-N 3.29Å; H1048-F1050 HydrophobicContact CB-CE2 3.93Å; H1048-F1050 HydrophobicContact CB-CZ 4.15Å; H1048-F1050 AromaticContact ND1-CZ 3.51Å; H1048-F1050 VanDerWaalsContact O-CD2 3.29Å; H1048-F1050 WeakPolarHBondContact O-CD2 3.48Å; H1048-F1050 PolarHBondContact O-N 3.49Å
1049E82.9Confident81.8Confident69 Ų6946.7 Ų46.732%0.32223%0.232SC..  trans-85.967.6177.3-165.769.7-171.300111.3L1025 Y1044 A1047 D1051 S1052 V1053L1025-E1049 HydrophobicContact CD1-CB 3.85Å; L1025-E1049 HydrophobicContact CD1-CG 4.02Å; Y1044-E1049 HydrophobicContact CD1-CB 3.6Å; Y1044-E1049 HydrophobicContact CD1-CG 3.88Å; Y1044-E1049 HydrophobicContact CE1-CB 4.39Å; Y1044-E1049 HydrophobicContact CE1-CG 4.24Å; Y1044-E1049 HydrophobicContact CG-CB 4.31Å; Y1044-E1049 PolarHBondContact O-N 3.14Å; A1047-E1049 VanDerWaalsContact C-N 3.27Å; A1047-E1049 PolarHBondContact O-N 3.22Å; E1049-D1051 PolarHBondContact O-N 2.95Å; E1049-S1052 PolarHBondContact O-N 3.37Å; E1049-V1053 PolarHBondContact O-N 3.01Å
1050F82.1Confident81.9Confident39 Ų3949.7 Ų49.717%0.17124%0.241CC..Hα-helixtrans-62.9-26.1-172.1-61.5-62.8000114.2H1048 V1053 I1054 I1070H1048-F1050 VanDerWaalsContact C-N 3.29Å; H1048-F1050 HydrophobicContact CB-CE2 3.93Å; H1048-F1050 HydrophobicContact CB-CZ 4.15Å; H1048-F1050 AromaticContact ND1-CZ 3.51Å; H1048-F1050 VanDerWaalsContact O-CD2 3.29Å; H1048-F1050 WeakPolarHBondContact O-CD2 3.48Å; H1048-F1050 PolarHBondContact O-N 3.49Å; F1050-V1053 CarbonylContact O-C 3.56Å; F1050-V1053 WeakPolarHBondContact O-CB 3.45Å; F1050-V1053 PolarHBondContact O-N 3.33Å; F1050-I1054 WeakPolarHBondContact O-CB 3.48Å; F1050-I1054 VanDerWaalsContact O-CG1 3.27Å; F1050-I1054 WeakPolarHBondContact O-CG1 3.16Å; F1050-I1054 PolarHBondContact O-N 3.25Å; F1050-I1070 HydrophobicContact CB-CG2 3.74Å; F1050-I1070 HydrophobicContact CD1-CG2 3.82Å; F1050-I1070 HydrophobicContact CG-CG2 4.08Å
1051D82.1Confident81.8Confident48 Ų4853.9 Ų53.926%0.25726%0.263SS..Hα-helixtrans-69.1-38.3178.5-70.3-10.4000112.1E1049 V1053 I1054 R1055 S1076E1049-D1051 PolarHBondContact O-N 2.95Å; D1051-V1053 VanDerWaalsContact C-N 3.27Å; D1051-V1053 PolarHBondContact O-N 3Å; D1051-I1054 PolarHBondContact O-N 3.42Å; D1051-R1055 VanDerWaalsContact O-CB 3.24Å; D1051-R1055 WeakPolarHBondContact O-CB 3.37Å; D1051-R1055 PolarHBondContact O-N 3.11Å; D1051-S1076 WeakPolarHBondContact OD1-CB 3.46Å; D1051-S1076 PolarHBondContact OD1-OG 3.11Å; D1051-S1076 PolarHBondContact OD2-OG 2.7Å; D1051-S1076 VanDerWaalsContact OD2-OG 3.12Å
1052S82.6Confident81.5Confident18 Ų1858.4 Ų58.413%0.12629%0.286CS..Hα-helixtrans-67.7-34.2173.5-67.20000110.6E1049 L1056E1049-S1052 PolarHBondContact O-N 3.37Å; S1052-L1056 VanDerWaalsContact O-CB 3.27Å; S1052-L1056 WeakPolarHBondContact O-CB 3.32Å; S1052-L1056 WeakPolarHBondContact O-CD1 3.46Å; S1052-L1056 VanDerWaalsContact O-CG 3.23Å; S1052-L1056 WeakPolarHBondContact O-CG 3.47Å; S1052-L1056 PolarHBondContact O-N 3.41Å
1053V84Confident81.6Confident2 Ų255.8 Ų55.81%0.01228%0.277CS..Hα-helixtrans-67.4-49.7171.9-1750000110.8E1049 F1050 D1051 R1055 L1056 Q1057 I1070E1049-V1053 PolarHBondContact O-N 3.01Å; F1050-V1053 CarbonylContact O-C 3.56Å; F1050-V1053 WeakPolarHBondContact O-CB 3.45Å; F1050-V1053 PolarHBondContact O-N 3.33Å; D1051-V1053 VanDerWaalsContact C-N 3.27Å; D1051-V1053 PolarHBondContact O-N 3Å; V1053-R1055 VanDerWaalsContact C-N 3.3Å; V1053-R1055 PolarHBondContact O-N 3.24Å; V1053-L1056 PolarHBondContact O-N 2.77Å; V1053-Q1057 HydrophobicContact CG1-CG 4Å; V1053-Q1057 WeakPolarHBondContact O-CB 3.47Å; V1053-Q1057 WeakPolarHBondContact O-CG 3.33Å; V1053-Q1057 PolarHBondContact O-N 2.9Å; V1053-I1070 HydrophobicContact CG1-CD1 3.58Å
1054I82.9Confident81.4Confident0 Ų057 Ų570%028%0.284CS..Hα-helixtrans-58.1-43177.4-71.1166.5000110.4F1050 D1051 Q1057 L1058 A1067 I1070 L1071 M1082F1050-I1054 WeakPolarHBondContact O-CB 3.48Å; F1050-I1054 VanDerWaalsContact O-CG1 3.27Å; F1050-I1054 WeakPolarHBondContact O-CG1 3.16Å; F1050-I1054 PolarHBondContact O-N 3.25Å; D1051-I1054 PolarHBondContact O-N 3.42Å; I1054-Q1057 PolarHBondContact O-N 3.41Å; I1054-L1058 HydrophobicContact CG2-CD1 3.68Å; I1054-L1058 HydrophobicContact CG2-CG 4.27Å; I1054-L1058 WeakPolarHBondContact O-CB 3.22Å; I1054-L1058 VanDerWaalsContact O-CG 3.29Å; I1054-L1058 WeakPolarHBondContact O-CG 3.18Å; I1054-L1058 PolarHBondContact O-N 3.17Å; I1054-A1067 HydrophobicContact CG2-CB 4.15Å; I1054-I1070 HydrophobicContact CD1-CB 4.46Å; I1054-I1070 HydrophobicContact CD1-CG2 3.95Å; I1054-I1070 HydrophobicContact CG1-CB 4.08Å; I1054-I1070 HydrophobicContact CG1-CG2 3.73Å; I1054-L1071 HydrophobicContact CD1-CB 4.4Å; I1054-M1082 HydrophobicContact CG2-SD 4.1Å
1055R89.2Confident81.3Confident61 Ų6163.1 Ų63.123%0.2332%0.317CS..Hα-helixtrans-62.4-52.4175.5-179.9-177.559.282.7-3.6111.7E1032 D1051 V1053 Q1057 L1058 E1059 M1082E1032-R1055 IonicContact OE1-CZ 3.65Å; E1032-R1055 IonicContact OE1-NH1 3.84Å; E1032-R1055 IonicContact OE1-NH2 3.98Å; E1032-R1055 PolarHBondContact OE1-NH2 3.21Å; E1032-R1055 IonicContact OE2-NH2 2.83Å; D1051-R1055 VanDerWaalsContact O-CB 3.24Å; D1051-R1055 WeakPolarHBondContact O-CB 3.37Å; D1051-R1055 PolarHBondContact O-N 3.11Å; V1053-R1055 VanDerWaalsContact C-N 3.3Å; V1053-R1055 PolarHBondContact O-N 3.24Å; R1055-Q1057 PolarHBondContact O-N 3.37Å; R1055-L1058 PolarHBondContact O-N 3.33Å; R1055-E1059 HydrophobicContact CG-CG 4.43Å; R1055-E1059 WeakPolarHBondContact O-CB 3.18Å; R1055-E1059 PolarHBondContact O-N 3.06Å; R1055-M1082 HydrophobicContact CB-CE 4.2Å; R1055-M1082 HydrophobicContact CB-SD 4.17Å
1056L83.5Confident81.2Confident3 Ų361.7 Ų61.72%0.01631%0.31CS..Hα-helixtrans-61.6-34.8177.8-74.2165.9000111Y1037 V1041 S1052 V1053 K1060 L1061Y1037-L1056 HydrophobicContact CD1-CD2 4.31Å; V1041-L1056 HydrophobicContact CG2-CB 4.31Å; V1041-L1056 HydrophobicContact CG2-CD1 3.7Å; S1052-L1056 VanDerWaalsContact O-CB 3.27Å; S1052-L1056 WeakPolarHBondContact O-CB 3.32Å; S1052-L1056 WeakPolarHBondContact O-CD1 3.46Å; S1052-L1056 VanDerWaalsContact O-CG 3.23Å; S1052-L1056 WeakPolarHBondContact O-CG 3.47Å; S1052-L1056 PolarHBondContact O-N 3.41Å; V1053-L1056 PolarHBondContact O-N 2.77Å; L1056-K1060 HydrophobicContact CD2-CB 4.31Å; L1056-K1060 HydrophobicContact CD2-CG 3.9Å; L1056-K1060 CarbonylContact O-C 3.58Å; L1056-K1060 WeakPolarHBondContact O-CA 3.18Å; L1056-K1060 WeakPolarHBondContact O-CB 3.25Å; L1056-K1060 PolarHBondContact O-N 3.43Å; L1056-L1061 WeakPolarHBondContact O-CG 3.35Å; L1056-L1061 PolarHBondContact O-N 3.19Å
1057Q83.7Confident81.3Confident30 Ų3058.3 Ų58.314%0.1429%0.289CS..Hα-helixtrans-72-37.4177-70.9-67.9-4.500113.6V1053 I1054 R1055 L1061 N1062 N1063V1053-Q1057 HydrophobicContact CG1-CG 4Å; V1053-Q1057 WeakPolarHBondContact O-CB 3.47Å; V1053-Q1057 WeakPolarHBondContact O-CG 3.33Å; V1053-Q1057 PolarHBondContact O-N 2.9Å; I1054-Q1057 PolarHBondContact O-N 3.41Å; R1055-Q1057 PolarHBondContact O-N 3.37Å; Q1057-L1061 HydrophobicContact CG-CD1 4.42Å; Q1057-L1061 CarbonylContact O-C 3.54Å; Q1057-N1062 CarbonylContact O-C 3.51Å; Q1057-N1062 VanDerWaalsContact O-CA 3.26Å; Q1057-N1062 WeakPolarHBondContact O-CA 3.5Å; Q1057-N1062 PolarHBondContact O-N 3.01Å; Q1057-N1063 PolarHBondContact O-N 2.62Å; Q1057-N1063 PolarHBondContact OE1-ND2 3.21Å
1058L81.4Confident81.6Confident31 Ų3159.8 Ų59.816%0.16230%0.295CS..Hα-helixtrans-80.9-38.1177.9-70.3172.9000112.5I1054 R1055 P1064 A1067 M1082I1054-L1058 HydrophobicContact CG2-CD1 3.68Å; I1054-L1058 HydrophobicContact CG2-CG 4.27Å; I1054-L1058 WeakPolarHBondContact O-CB 3.22Å; I1054-L1058 VanDerWaalsContact O-CG 3.29Å; I1054-L1058 WeakPolarHBondContact O-CG 3.18Å; I1054-L1058 PolarHBondContact O-N 3.17Å; R1055-L1058 PolarHBondContact O-N 3.33Å; L1058-P1064 HydrophobicContact CD2-CB 4.27Å; L1058-A1067 HydrophobicContact CD1-CB 4.24Å; L1058-A1067 HydrophobicContact CD2-CB 3.62Å; L1058-A1067 HydrophobicContact CG-CB 3.77Å; L1058-M1082 HydrophobicContact CD1-CB 3.71Å
1059E80.3Confident81.9Confident132 Ų13260.9 Ų60.962%0.61729%0.294SS*.Hα-helixtrans-98.1-38.7-171.6-63.9-175.6163.200114.7R1055R1055-E1059 HydrophobicContact CG-CG 4.43Å; R1055-E1059 WeakPolarHBondContact O-CB 3.18Å; R1055-E1059 PolarHBondContact O-N 3.06Å
1060K78.9Confident81.9Confident137 Ų13758.2 Ų58.260%0.59628%0.282SS*.THydrogen-bonded Turntrans-107-27.5-172.8-58.5-59.1-177.3-176.80113.2L1056L1056-K1060 HydrophobicContact CD2-CB 4.31Å; L1056-K1060 HydrophobicContact CD2-CG 3.9Å; L1056-K1060 CarbonylContact O-C 3.58Å; L1056-K1060 WeakPolarHBondContact O-CA 3.18Å; L1056-K1060 WeakPolarHBondContact O-CB 3.25Å; L1056-K1060 PolarHBondContact O-N 3.43Å
1061L79.3Confident81.9Confident87 Ų8756.8 Ų56.846%0.45528%0.276SS..SBendtrans-114.6-9.7-177.6-52.3168000114.1L1056 Q1057 N1063L1056-L1061 WeakPolarHBondContact O-CG 3.35Å; L1056-L1061 PolarHBondContact O-N 3.19Å; Q1057-L1061 HydrophobicContact CG-CD1 4.42Å; Q1057-L1061 CarbonylContact O-C 3.54Å; L1061-N1063 PolarHBondContact O-ND2 3.2Å
1062N76.6Confident81.8Confident118 Ų11859.3 Ų59.363%0.63129%0.29SS*.  trans5149.3174.1-153.921.7000117.6Q1057Q1057-N1062 CarbonylContact O-C 3.51Å; Q1057-N1062 VanDerWaalsContact O-CA 3.26Å; Q1057-N1062 WeakPolarHBondContact O-CA 3.5Å; Q1057-N1062 PolarHBondContact O-N 3.01Å
1063N83.1Confident81.5Confident81 Ų8165.9 Ų65.943%0.43332%0.316SS..  trans-121.989.3-179.1-71.7-43.5000113.6Q1057 L1061 N1065 E1066 A1067Q1057-N1063 PolarHBondContact O-N 2.62Å; Q1057-N1063 PolarHBondContact OE1-ND2 3.21Å; L1061-N1063 PolarHBondContact O-ND2 3.2Å; N1063-N1065 PolarHBondContact O-N 3.35Å; N1063-E1066 HydrophobicContact CB-CB 4.26Å; N1063-E1066 PolarHBondContact O-N 2.82Å; N1063-A1067 PolarHBondContact O-N 2.94Å; N1063-A1067 VanDerWaalsContact O-N 3.17Å
1064P77.5Confident81.1Confident34 Ų3467.3 Ų67.322%0.22133%0.326CS..Hα-helixtrans-72.9-28.2-173.727.9-34.7000114.4L1058 A1067 I1068 Y1086L1058-P1064 HydrophobicContact CD2-CB 4.27Å; P1064-A1067 WeakPolarHBondContact O-CB 3.36Å; P1064-A1067 PolarHBondContact O-N 3.15Å; P1064-I1068 WeakPolarHBondContact O-CG1 3.45Å; P1064-I1068 PolarHBondContact O-N 2.9Å; P1064-Y1086 HydrophobicContact CB-CE1 4.23Å
1065N82.2Confident80.8Confident134 Ų13474.8 Ų74.872%0.71736%0.361SS*.Hα-helixtrans-69.1-37.2176.7-68.1-25000111.5N1063 I1068 R1069N1063-N1065 PolarHBondContact O-N 3.35Å; N1065-I1068 PolarHBondContact O-N 3.28Å; N1065-R1069 PolarHBondContact O-N 2.83Å
1066E79.8Confident80.4Confident64 Ų6472.8 Ų72.830%0.29936%0.356SS..Hα-helixtrans-71.9-33.6174-82.6-55.8161.400112.3N1063 I1068 R1069 I1070N1063-E1066 HydrophobicContact CB-CB 4.26Å; N1063-E1066 PolarHBondContact O-N 2.82Å; E1066-I1068 PolarHBondContact O-N 3.36Å; E1066-R1069 VanDerWaalsContact CD-CZ 3.48Å; E1066-R1069 PolarHBondContact O-N 3.05Å; E1066-R1069 IonicContact OE1-CZ 3.74Å; E1066-R1069 VanDerWaalsContact OE1-CZ 3.3Å; E1066-R1069 IonicContact OE1-NE 2.65Å; E1066-R1069 PolarHBondContact OE1-NE 2.94Å; E1066-R1069 IonicContact OE1-NH1 3.51Å; E1066-R1069 IonicContact OE1-NH2 3.6Å; E1066-R1069 IonicContact OE2-CZ 3.56Å; E1066-R1069 IonicContact OE2-NE 3.67Å; E1066-R1069 PolarHBondContact OE2-NE 3.44Å; E1066-R1069 IonicContact OE2-NH1 3.98Å; E1066-R1069 IonicContact OE2-NH2 2.72Å; E1066-R1069 PolarHBondContact OE2-NH2 3.34Å; E1066-I1070 WeakPolarHBondContact O-CB 3.31Å; E1066-I1070 VanDerWaalsContact O-CG1 3.23Å; E1066-I1070 WeakPolarHBondContact O-CG1 3.33Å; E1066-I1070 PolarHBondContact O-N 3.31Å
1067A81.4Confident80.3Confident0 Ų076 Ų760%037%0.372CS..Hα-helixtrans-61.7-40.8169.600000112.5I1054 L1058 N1063 P1064 L1071 I1083I1054-A1067 HydrophobicContact CG2-CB 4.15Å; L1058-A1067 HydrophobicContact CD1-CB 4.24Å; L1058-A1067 HydrophobicContact CD2-CB 3.62Å; L1058-A1067 HydrophobicContact CG-CB 3.77Å; N1063-A1067 PolarHBondContact O-N 2.94Å; N1063-A1067 VanDerWaalsContact O-N 3.17Å; P1064-A1067 WeakPolarHBondContact O-CB 3.36Å; P1064-A1067 PolarHBondContact O-N 3.15Å; A1067-L1071 VanDerWaalsContact O-CB 3.25Å; A1067-L1071 WeakPolarHBondContact O-CB 3.31Å; A1067-L1071 PolarHBondContact O-N 3.37Å; A1067-I1083 HydrophobicContact CB-CD1 4.45Å
1068I81.3Confident80.1Confident42 Ų4278.3 Ų78.322%0.21538%0.383CS..Hα-helixtrans-71-37.9176.1-65.7165.4000111.3P1064 N1065 E1066 L1071 N1072 I1083 F1087P1064-I1068 WeakPolarHBondContact O-CG1 3.45Å; P1064-I1068 PolarHBondContact O-N 2.9Å; N1065-I1068 PolarHBondContact O-N 3.28Å; E1066-I1068 PolarHBondContact O-N 3.36Å; I1068-L1071 PolarHBondContact O-N 3.2Å; I1068-N1072 WeakPolarHBondContact O-CB 3.14Å; I1068-N1072 VanDerWaalsContact O-CG 3.32Å; I1068-N1072 PolarHBondContact O-N 2.82Å; I1068-I1083 HydrophobicContact CG1-CD1 3.81Å; I1068-I1083 HydrophobicContact CG1-CG1 4.39Å; I1068-I1083 HydrophobicContact CG1-CG2 4.36Å; I1068-F1087 HydrophobicContact CD1-CZ 4.42Å
1069R85.3Confident80.1Confident148 Ų14876.9 Ų76.956%0.55838%0.376SS*.Hα-helixtrans-61.7-47174.2-169.6-169.870.5163.80110.9N1065 E1066 L1071 N1072 K1073N1065-R1069 PolarHBondContact O-N 2.83Å; E1066-R1069 VanDerWaalsContact CD-CZ 3.48Å; E1066-R1069 PolarHBondContact O-N 3.05Å; E1066-R1069 IonicContact OE1-CZ 3.74Å; E1066-R1069 VanDerWaalsContact OE1-CZ 3.3Å; E1066-R1069 IonicContact OE1-NE 2.65Å; E1066-R1069 PolarHBondContact OE1-NE 2.94Å; E1066-R1069 IonicContact OE1-NH1 3.51Å; E1066-R1069 IonicContact OE1-NH2 3.6Å; E1066-R1069 IonicContact OE2-CZ 3.56Å; E1066-R1069 IonicContact OE2-NE 3.67Å; E1066-R1069 PolarHBondContact OE2-NE 3.44Å; E1066-R1069 IonicContact OE2-NH1 3.98Å; E1066-R1069 IonicContact OE2-NH2 2.72Å; E1066-R1069 PolarHBondContact OE2-NH2 3.34Å; R1069-L1071 VanDerWaalsContact C-N 3.35Å; R1069-N1072 PolarHBondContact O-N 3.02Å; R1069-K1073 PolarHBondContact O-N 3.48Å; R1069-K1073 VanDerWaalsContact O-N 3.07Å
1070I81.9Confident80.1Confident14 Ų1470.6 Ų70.67%0.07235%0.346CS..Hα-helixtrans-66.8-37.4176.9-65.1175.6000110.4F1050 V1053 I1054 E1066 K1073 S1074F1050-I1070 HydrophobicContact CB-CG2 3.74Å; F1050-I1070 HydrophobicContact CD1-CG2 3.82Å; F1050-I1070 HydrophobicContact CG-CG2 4.08Å; V1053-I1070 HydrophobicContact CG1-CD1 3.58Å; I1054-I1070 HydrophobicContact CD1-CB 4.46Å; I1054-I1070 HydrophobicContact CD1-CG2 3.95Å; I1054-I1070 HydrophobicContact CG1-CB 4.08Å; I1054-I1070 HydrophobicContact CG1-CG2 3.73Å; E1066-I1070 WeakPolarHBondContact O-CB 3.31Å; E1066-I1070 VanDerWaalsContact O-CG1 3.23Å; E1066-I1070 WeakPolarHBondContact O-CG1 3.33Å; E1066-I1070 PolarHBondContact O-N 3.31Å; I1070-K1073 CarbonylContact O-C 3.52Å; I1070-K1073 PolarHBondContact O-N 3.24Å; I1070-S1074 VanDerWaalsContact O-CB 3.3Å; I1070-S1074 WeakPolarHBondContact O-CB 3.3Å; I1070-S1074 PolarHBondContact O-N 3.31Å; I1070-S1074 PolarHBondContact O-OG 3.15Å; I1070-S1074 VanDerWaalsContact O-OG 3.04Å
1071L82.1Confident80.4Confident8 Ų866.7 Ų66.74%0.04233%0.329CS..Hα-helixtrans-60.7-45.8173.7178.166.9000112.1I1054 A1067 I1068 R1069 K1073 S1074 H1075 S1076 A1080 I1083I1054-L1071 HydrophobicContact CD1-CB 4.4Å; A1067-L1071 VanDerWaalsContact O-CB 3.25Å; A1067-L1071 WeakPolarHBondContact O-CB 3.31Å; A1067-L1071 PolarHBondContact O-N 3.37Å; I1068-L1071 PolarHBondContact O-N 3.2Å; R1069-L1071 VanDerWaalsContact C-N 3.35Å; L1071-K1073 PolarHBondContact O-N 2.63Å; L1071-S1074 PolarHBondContact O-N 2.71Å; L1071-H1075 WeakPolarHBondContact O-CA 3.32Å; L1071-H1075 PolarHBondContact O-N 3.24Å; L1071-S1076 WeakPolarHBondContact CD1-O 3.21Å; L1071-A1080 HydrophobicContact CD1-CB 4.01Å; L1071-A1080 VanDerWaalsContact CD1-N 3.28Å; L1071-A1080 HydrophobicContact CD2-CB 4.01Å; L1071-I1083 HydrophobicContact CB-CD1 3.79Å; L1071-I1083 HydrophobicContact CD2-CD1 3.45Å; L1071-I1083 VanDerWaalsContact CD2-CD1 3.45Å; L1071-I1083 HydrophobicContact CG-CD1 4.13Å
1072N81Confident80.6Confident101 Ų10164.8 Ų64.854%0.5432%0.319SS..Hα-helixtrans-67.9-25.1178.4-70.5-17.8000111.8I1068 R1069 H1075I1068-N1072 WeakPolarHBondContact O-CB 3.14Å; I1068-N1072 VanDerWaalsContact O-CG 3.32Å; I1068-N1072 PolarHBondContact O-N 2.82Å; R1069-N1072 PolarHBondContact O-N 3.02Å; N1072-H1075 PolarHBondContact O-CE1 3.27Å; N1072-H1075 PolarHBondContact O-ND1 2.84Å
1073K75.9Confident81Confident156 Ų15659.4 Ų59.468%0.67829%0.29SS*.Hα-helixtrans-78.8-39.3172.6-163.4177.1-179.2-176.20111.8R1069 I1070 L1071R1069-K1073 PolarHBondContact O-N 3.48Å; R1069-K1073 VanDerWaalsContact O-N 3.07Å; I1070-K1073 CarbonylContact O-C 3.52Å; I1070-K1073 PolarHBondContact O-N 3.24Å; L1071-K1073 PolarHBondContact O-N 2.63Å
1074S75.4Confident81Confident32 Ų3255.5 Ų55.522%0.22427%0.269CS..Hα-helixtrans-91.5-21.9-173.271.30000114.4I1070 L1071 S1076I1070-S1074 VanDerWaalsContact O-CB 3.3Å; I1070-S1074 WeakPolarHBondContact O-CB 3.3Å; I1070-S1074 PolarHBondContact O-N 3.31Å; I1070-S1074 PolarHBondContact O-OG 3.15Å; I1070-S1074 VanDerWaalsContact O-OG 3.04Å; L1071-S1074 PolarHBondContact O-N 2.71Å; S1074-S1076 PolarHBondContact O-N 3.17Å; S1074-S1076 VanDerWaalsContact O-N 3.15Å; S1074-S1076 WeakPolarHBondContact OG-CB 3.49Å; S1074-S1076 PolarHBondContact OG-N 3.22Å
1075H77.4Confident81.3Confident158 Ų15858 Ų5873%0.73128%0.278SS*.  trans5029.5-169.6-61.375.5000113.3L1071 N1072 I1077L1071-H1075 WeakPolarHBondContact O-CA 3.32Å; L1071-H1075 PolarHBondContact O-N 3.24Å; N1072-H1075 PolarHBondContact O-CE1 3.27Å; N1072-H1075 PolarHBondContact O-ND1 2.84Å; H1075-I1077 PolarHBondContact O-N 3.21Å
1076S80.8Confident81.4Confident18 Ų1855.5 Ų55.513%0.12626%0.259CS..  trans-71.3128.2-174.1175.40000113.2D1051 L1071 S1074 E1078 G1079 A1080D1051-S1076 WeakPolarHBondContact OD1-CB 3.46Å; D1051-S1076 PolarHBondContact OD1-OG 3.11Å; D1051-S1076 PolarHBondContact OD2-OG 2.7Å; D1051-S1076 VanDerWaalsContact OD2-OG 3.12Å; L1071-S1076 WeakPolarHBondContact CD1-O 3.21Å; S1074-S1076 PolarHBondContact O-N 3.17Å; S1074-S1076 VanDerWaalsContact O-N 3.15Å; S1074-S1076 WeakPolarHBondContact OG-CB 3.49Å; S1074-S1076 PolarHBondContact OG-N 3.22Å; S1076-E1078 PolarHBondContact OG-N 3.06Å; S1076-G1079 PolarHBondContact O-N 3.44Å; S1076-G1079 PolarHBondContact OG-N 3.32Å; S1076-A1080 WeakPolarHBondContact O-CB 3.33Å; S1076-A1080 PolarHBondContact O-N 3.23Å
1077I82Confident81.6Confident70 Ų7054.1 Ų54.136%0.35925%0.252SS..Hα-helixtrans-63.5-43.5176.6-61.4167000110.7H1075 A1080 K1081 S1103 K1104H1075-I1077 PolarHBondContact O-N 3.21Å; I1077-A1080 PolarHBondContact O-N 3.3Å; I1077-K1081 PolarHBondContact O-N 2.78Å; I1077-S1103 WeakPolarHBondContact CG2-O 3.5Å; I1077-S1103 WeakPolarHBondContact O-CB 3.33Å; I1077-K1104 HydrophobicContact CD1-CD 3.84Å; I1077-K1104 HydrophobicContact CD1-CG 4.46Å; I1077-K1104 HydrophobicContact CG1-CD 4.48Å; I1077-K1104 HydrophobicContact CG2-CB 4.4Å; I1077-K1104 HydrophobicContact CG2-CG 4.43Å
1078E78.2Confident81.7Confident80 Ų8057.5 Ų57.537%0.37427%0.269SS..Hα-helixtrans-74.6-34.2-178.1-158.264.3-162.700110.6S1076 K1081 M1082S1076-E1078 PolarHBondContact OG-N 3.06Å; E1078-K1081 WeakPolarHBondContact O-CB 3.26Å; E1078-K1081 PolarHBondContact O-N 3.36Å; E1078-K1081 IonicContact OE1-NZ 2.64Å; E1078-K1081 PolarHBondContact OE1-NZ 3.24Å; E1078-K1081 IonicContact OE2-NZ 3.7Å; E1078-K1081 PolarHBondContact OE2-NZ 3.29Å; E1078-M1082 HydrophobicContact CG-CE 4.14Å; E1078-M1082 WeakPolarHBondContact O-CG 3.47Å; E1078-M1082 PolarHBondContact O-N 3.03Å
1079G81.1Confident81.6Confident0 Ų065 Ų650%030%0.295CS..Hα-helixtrans-60.4-44168.700000112.4S1076 K1081 M1082 I1083S1076-G1079 PolarHBondContact O-N 3.44Å; S1076-G1079 PolarHBondContact OG-N 3.32Å; G1079-K1081 VanDerWaalsContact C-N 3.28Å; G1079-K1081 PolarHBondContact O-N 2.94Å; G1079-M1082 PolarHBondContact O-N 2.9Å; G1079-I1083 WeakPolarHBondContact O-CG1 3.37Å; G1079-I1083 PolarHBondContact O-N 2.81Å
1080A81.9Confident81.4Confident0 Ų062.2 Ų62.20%029%0.291CS..Hα-helixtrans-62.7-35.9175.300000111.7L1071 S1076 I1077 I1083 A1084 I1102L1071-A1080 HydrophobicContact CD1-CB 4.01Å; L1071-A1080 VanDerWaalsContact CD1-N 3.28Å; L1071-A1080 HydrophobicContact CD2-CB 4.01Å; S1076-A1080 WeakPolarHBondContact O-CB 3.33Å; S1076-A1080 PolarHBondContact O-N 3.23Å; I1077-A1080 PolarHBondContact O-N 3.3Å; A1080-I1083 PolarHBondContact O-N 3.42Å; A1080-A1084 VanDerWaalsContact O-CB 3.31Å; A1080-A1084 WeakPolarHBondContact O-CB 3.23Å; A1080-A1084 PolarHBondContact O-N 2.95Å; A1080-I1102 HydrophobicContact CB-CG2 4.07Å
1081K84.2Confident81.2Confident56 Ų5668.1 Ų68.124%0.24332%0.323CS..Hα-helixtrans-70.2-41.7176-174.2177.9162.8-153.60112.6I1077 E1078 G1079 I1083 A1084 Q1085I1077-K1081 PolarHBondContact O-N 2.78Å; E1078-K1081 WeakPolarHBondContact O-CB 3.26Å; E1078-K1081 PolarHBondContact O-N 3.36Å; E1078-K1081 IonicContact OE1-NZ 2.64Å; E1078-K1081 PolarHBondContact OE1-NZ 3.24Å; E1078-K1081 IonicContact OE2-NZ 3.7Å; E1078-K1081 PolarHBondContact OE2-NZ 3.29Å; G1079-K1081 VanDerWaalsContact C-N 3.28Å; G1079-K1081 PolarHBondContact O-N 2.94Å; K1081-I1083 PolarHBondContact O-N 3.29Å; K1081-A1084 PolarHBondContact O-N 3.45Å; K1081-Q1085 WeakPolarHBondContact O-CB 3.11Å; K1081-Q1085 WeakPolarHBondContact O-CG 3.22Å; K1081-Q1085 PolarHBondContact O-N 3.09Å
1082M83.5Confident81.2Confident47 Ų4770.2 Ų70.223%0.23233%0.334CS..Hα-helixtrans-59.9-40.1173.6-69-179.3-166.300110.6I1054 R1055 L1058 E1078 G1079 Y1086I1054-M1082 HydrophobicContact CG2-SD 4.1Å; R1055-M1082 HydrophobicContact CB-CE 4.2Å; R1055-M1082 HydrophobicContact CB-SD 4.17Å; L1058-M1082 HydrophobicContact CD1-CB 3.71Å; E1078-M1082 HydrophobicContact CG-CE 4.14Å; E1078-M1082 WeakPolarHBondContact O-CG 3.47Å; E1078-M1082 PolarHBondContact O-N 3.03Å; G1079-M1082 PolarHBondContact O-N 2.9Å; M1082-Y1086 WeakPolarHBondContact O-CB 3.5Å; M1082-Y1086 PolarHBondContact O-N 2.87Å
1083I84.7Confident81.2Confident4 Ų468.1 Ų68.12%0.02132%0.321CS..Hα-helixtrans-69.7-41.2175-72.2164.4000111.6A1067 I1068 L1071 G1079 A1080 K1081 Q1085 Y1086 F1087A1067-I1083 HydrophobicContact CB-CD1 4.45Å; I1068-I1083 HydrophobicContact CG1-CD1 3.81Å; I1068-I1083 HydrophobicContact CG1-CG1 4.39Å; I1068-I1083 HydrophobicContact CG1-CG2 4.36Å; L1071-I1083 HydrophobicContact CB-CD1 3.79Å; L1071-I1083 HydrophobicContact CD2-CD1 3.45Å; L1071-I1083 VanDerWaalsContact CD2-CD1 3.45Å; L1071-I1083 HydrophobicContact CG-CD1 4.13Å; G1079-I1083 WeakPolarHBondContact O-CG1 3.37Å; G1079-I1083 PolarHBondContact O-N 2.81Å; A1080-I1083 PolarHBondContact O-N 3.42Å; K1081-I1083 PolarHBondContact O-N 3.29Å; I1083-Q1085 PolarHBondContact O-N 2.75Å; I1083-Y1086 WeakPolarHBondContact O-CB 3.44Å; I1083-Y1086 PolarHBondContact O-N 2.96Å; I1083-F1087 HydrophobicContact CG2-CD2 3.7Å; I1083-F1087 HydrophobicContact CG2-CE2 3.46Å; I1083-F1087 VanDerWaalsContact CG2-CE2 3.46Å; I1083-F1087 VanDerWaalsContact O-CD2 3.24Å; I1083-F1087 WeakPolarHBondContact O-CD2 3.27Å; I1083-F1087 PolarHBondContact O-N 2.88Å
1084A82.8Confident81.4Confident0 Ų064.1 Ų64.10%031%0.31CS..Hα-helixtrans-61.3-42.8175.100000111.6A1080 K1081 Y1086 F1087 I1088 F1099 L1100A1080-A1084 VanDerWaalsContact O-CB 3.31Å; A1080-A1084 WeakPolarHBondContact O-CB 3.23Å; A1080-A1084 PolarHBondContact O-N 2.95Å; K1081-A1084 PolarHBondContact O-N 3.45Å; A1084-Y1086 VanDerWaalsContact C-N 3.31Å; A1084-Y1086 PolarHBondContact O-N 3.22Å; A1084-F1087 PolarHBondContact O-N 3.31Å; A1084-I1088 VanDerWaalsContact O-CG1 3.26Å; A1084-I1088 WeakPolarHBondContact O-CG1 3.42Å; A1084-I1088 PolarHBondContact O-N 3.14Å; A1084-F1099 HydrophobicContact CB-CB 4.04Å; A1084-L1100 HydrophobicContact CB-CD2 3.86Å; A1084-L1100 HydrophobicContact CB-CG 4Å
1085Q83.8Confident81.6Confident86 Ų8667.3 Ų67.340%0.40232%0.319SS..Hα-helixtrans-63.6-37.5174.7-73.2178.43.100112.2K1081 I1083 I1088 R1089K1081-Q1085 WeakPolarHBondContact O-CB 3.11Å; K1081-Q1085 WeakPolarHBondContact O-CG 3.22Å; K1081-Q1085 PolarHBondContact O-N 3.09Å; I1083-Q1085 PolarHBondContact O-N 2.75Å; Q1085-I1088 PolarHBondContact O-N 2.76Å; Q1085-R1089 WeakPolarHBondContact O-CG 3.48Å; Q1085-R1089 PolarHBondContact O-N 2.79Å
1086Y85.2Confident81.9Confident82 Ų8259.8 Ų59.832%0.32229%0.285SS..Hα-helixtrans-61.6-44.1172.5-179.1-95.5000111.6P1064 M1082 I1083 A1084 R1089 N1090P1064-Y1086 HydrophobicContact CB-CE1 4.23Å; M1082-Y1086 WeakPolarHBondContact O-CB 3.5Å; M1082-Y1086 PolarHBondContact O-N 2.87Å; I1083-Y1086 WeakPolarHBondContact O-CB 3.44Å; I1083-Y1086 PolarHBondContact O-N 2.96Å; A1084-Y1086 VanDerWaalsContact C-N 3.31Å; A1084-Y1086 PolarHBondContact O-N 3.22Å; Y1086-R1089 PolarHBondContact O-N 2.81Å; Y1086-N1090 WeakPolarHBondContact CE1-ND2 3.44Å; Y1086-N1090 VanDerWaalsContact CZ-ND2 3.32Å; Y1086-N1090 PolarHBondContact O-N 2.93Å; Y1086-N1090 VanDerWaalsContact O-N 3.15Å; Y1086-N1090 PolarHBondContact O-ND2 2.84Å
1087F84.1Confident81.9Confident34 Ų3459.7 Ų59.715%0.14928%0.283CS..Hα-helixtrans-71.9-31.8176.6-75-62.7000114.3I1068 I1083 A1084 R1089 N1090 N1091 D1092 F1099I1068-F1087 HydrophobicContact CD1-CZ 4.42Å; I1083-F1087 HydrophobicContact CG2-CD2 3.7Å; I1083-F1087 HydrophobicContact CG2-CE2 3.46Å; I1083-F1087 VanDerWaalsContact CG2-CE2 3.46Å; I1083-F1087 VanDerWaalsContact O-CD2 3.24Å; I1083-F1087 WeakPolarHBondContact O-CD2 3.27Å; I1083-F1087 PolarHBondContact O-N 2.88Å; A1084-F1087 PolarHBondContact O-N 3.31Å; F1087-R1089 VanDerWaalsContact C-N 3.34Å; F1087-N1090 CarbonylContact O-C 3.56Å; F1087-N1090 PolarHBondContact O-N 2.9Å; F1087-N1091 PolarHBondContact O-N 2.89Å; F1087-D1092 PolarHBondContact O-N 2.78Å; F1087-F1099 HydrophobicContact CD2-CD2 4.05Å; F1087-F1099 HydrophobicContact CD2-CE2 4.33Å; F1087-F1099 HydrophobicContact CE2-CD2 4.13Å; F1087-F1099 AromaticContact CE2-CE2 3.95Å; F1087-F1099 HydrophobicContact CE2-CE2 3.95Å
1088I82.7Confident81.9Confident72 Ų7261.5 Ų61.537%0.36929%0.29SS..Hα-helixtrans-61.2-44.7169.9-69.7165.7000110A1084 Q1085 N1090 N1091 A1096 L1100A1084-I1088 VanDerWaalsContact O-CG1 3.26Å; A1084-I1088 WeakPolarHBondContact O-CG1 3.42Å; A1084-I1088 PolarHBondContact O-N 3.14Å; Q1085-I1088 PolarHBondContact O-N 2.76Å; I1088-N1090 PolarHBondContact O-N 2.86Å; I1088-N1091 PolarHBondContact O-N 3.12Å; I1088-A1096 HydrophobicContact CG1-CB 3.95Å; I1088-L1100 HydrophobicContact CD1-CD1 4.19Å; I1088-L1100 HydrophobicContact CD1-CD2 4.34Å
1089R80.8Confident82.2Confident199 Ų19959.6 Ų59.675%0.75128%0.28SS*.Hα-helixtrans-62.9-28175.8-72177-1691676.2112.5Q1085 Y1086 F1087Q1085-R1089 WeakPolarHBondContact O-CG 3.48Å; Q1085-R1089 PolarHBondContact O-N 2.79Å; Y1086-R1089 PolarHBondContact O-N 2.81Å; F1087-R1089 VanDerWaalsContact C-N 3.34Å
1090N80.8Confident82.3Confident90 Ų9059.7 Ų59.748%0.48128%0.281SS..THydrogen-bonded Turntrans-95.58179.4-64.5-17000114.4Y1086 F1087 I1088 D1092Y1086-N1090 WeakPolarHBondContact CE1-ND2 3.44Å; Y1086-N1090 VanDerWaalsContact CZ-ND2 3.32Å; Y1086-N1090 PolarHBondContact O-N 2.93Å; Y1086-N1090 VanDerWaalsContact O-N 3.15Å; Y1086-N1090 PolarHBondContact O-ND2 2.84Å; F1087-N1090 CarbonylContact O-C 3.56Å; F1087-N1090 PolarHBondContact O-N 2.9Å; I1088-N1090 PolarHBondContact O-N 2.86Å; N1090-D1092 PolarHBondContact O-N 2.81Å
1091N76Confident82.2Confident137 Ų13760.6 Ų60.673%0.73329%0.286SS*.THydrogen-bonded Turntrans66.422.8171.8-136.918.1000117.3F1087 I1088F1087-N1091 PolarHBondContact O-N 2.89Å; I1088-N1091 PolarHBondContact O-N 3.12Å
1092D82.7Confident82Confident52 Ų5262.8 Ų62.828%0.27830%0.3SS..  trans-97.493.1173.8-173.5-15.6000111.5F1087 N1090 T1094 K1095 A1096F1087-D1092 PolarHBondContact O-N 2.78Å; N1090-D1092 PolarHBondContact O-N 2.81Å; D1092-T1094 PolarHBondContact OD1-N 2.87Å; D1092-K1095 PolarHBondContact OD1-N 3.28Å; D1092-K1095 VanDerWaalsContact OD2-CD 3.28Å; D1092-K1095 WeakPolarHBondContact OD2-CD 3.27Å; D1092-K1095 WeakPolarHBondContact OD2-CG 3.24Å; D1092-K1095 IonicContact OD2-NZ 2.72Å; D1092-A1096 WeakPolarHBondContact O-CB 3.3Å; D1092-A1096 PolarHBondContact O-N 2.77Å
1093Q80.6Confident81.8Confident58 Ų5860.7 Ų60.727%0.27129%0.289SS..Hα-helixtrans-73.3-28.5-171.5-59.5-177.3-1400114.1I1097 L1112 H1116Q1093-I1097 VanDerWaalsContact O-CG1 3.3Å; Q1093-I1097 WeakPolarHBondContact O-CG1 3.45Å; Q1093-I1097 PolarHBondContact O-N 2.98Å; Q1093-L1112 HydrophobicContact CB-CD2 4.06Å; Q1093-L1112 HydrophobicContact CG-CD2 4.43Å; Q1093-H1116 PolarHBondContact NE2-CE1 3Å; Q1093-H1116 PolarHBondContact NE2-NE2 3.14Å; Q1093-H1116 PolarHBondContact OE1-CD2 3.48Å; Q1093-H1116 PolarHBondContact OE1-CE1 3.25Å; Q1093-H1116 VanDerWaalsContact OE1-CE1 3.27Å; Q1093-H1116 PolarHBondContact OE1-ND1 2.85Å; Q1093-H1116 PolarHBondContact OE1-NE2 3.47Å
1094T80.2Confident81.4Confident71 Ų7167 Ų6744%0.43632%0.316SS..Hα-helixtrans-74.7-46.5-176.5-45.40000110D1092 A1096 I1097 Q1098D1092-T1094 PolarHBondContact OD1-N 2.87Å; T1094-A1096 VanDerWaalsContact C-N 3.32Å; T1094-I1097 PolarHBondContact O-N 3.28Å; T1094-Q1098 PolarHBondContact O-N 3.19Å
1095K80.7Confident81.3Confident99 Ų9968 Ų6843%0.4332%0.324SS..Hα-helixtrans-67.8-34.2172.3-68.5-172.8-171.3164.70111.7D1092 Q1098 F1099D1092-K1095 PolarHBondContact OD1-N 3.28Å; D1092-K1095 VanDerWaalsContact OD2-CD 3.28Å; D1092-K1095 WeakPolarHBondContact OD2-CD 3.27Å; D1092-K1095 WeakPolarHBondContact OD2-CG 3.24Å; D1092-K1095 IonicContact OD2-NZ 2.72Å; K1095-Q1098 PolarHBondContact O-N 2.81Å; K1095-F1099 HydrophobicContact CB-CD2 4.24Å; K1095-F1099 HydrophobicContact CB-CE2 4.41Å; K1095-F1099 WeakPolarHBondContact O-CB 3.45Å; K1095-F1099 VanDerWaalsContact O-CD2 3.27Å; K1095-F1099 WeakPolarHBondContact O-CD2 3.23Å; K1095-F1099 PolarHBondContact O-N 2.81Å
1096A82.5Confident81.1Confident1 Ų166.2 Ų66.21%0.00832%0.315CS..Hα-helixtrans-60.8-46.8173.900000111.7I1088 D1092 T1094 Q1098 F1099 L1100 L1112I1088-A1096 HydrophobicContact CG1-CB 3.95Å; D1092-A1096 WeakPolarHBondContact O-CB 3.3Å; D1092-A1096 PolarHBondContact O-N 2.77Å; T1094-A1096 VanDerWaalsContact C-N 3.32Å; A1096-Q1098 VanDerWaalsContact C-N 3.34Å; A1096-Q1098 PolarHBondContact O-N 3.44Å; A1096-F1099 PolarHBondContact O-N 2.87Å; A1096-L1100 WeakPolarHBondContact O-CB 3.29Å; A1096-L1100 WeakPolarHBondContact O-CD1 3.23Å; A1096-L1100 WeakPolarHBondContact O-CG 3.08Å; A1096-L1100 PolarHBondContact O-N 3.36Å; A1096-L1112 HydrophobicContact CB-CD2 4.31Å
1097I82.2Confident80.9Confident15 Ų1568 Ų688%0.07733%0.33CS..Hα-helixtrans-60.9-43.6177.5-68.5165.6000110.6Q1093 T1094 L1100 V1101 A1109 L1112Q1093-I1097 VanDerWaalsContact O-CG1 3.3Å; Q1093-I1097 WeakPolarHBondContact O-CG1 3.45Å; Q1093-I1097 PolarHBondContact O-N 2.98Å; T1094-I1097 PolarHBondContact O-N 3.28Å; I1097-L1100 PolarHBondContact O-N 2.9Å; I1097-V1101 HydrophobicContact CG2-CG2 4.5Å; I1097-V1101 WeakPolarHBondContact O-CB 3.34Å; I1097-V1101 VanDerWaalsContact O-CG2 3.23Å; I1097-V1101 WeakPolarHBondContact O-CG2 3.46Å; I1097-V1101 PolarHBondContact O-N 3.47Å; I1097-A1109 HydrophobicContact CG2-CB 4.48Å; I1097-L1112 HydrophobicContact CD1-CD2 4.07Å; I1097-L1112 HydrophobicContact CG1-CB 4.23Å; I1097-L1112 HydrophobicContact CG1-CD2 3.6Å; I1097-L1112 HydrophobicContact CG1-CG 4.4Å
1098Q81.8Confident80.8Confident109 Ų10970.4 Ų70.451%0.50934%0.343SS..Hα-helixtrans-64.4-50.4178.4-70.3176.9-10.400112.8T1094 K1095 A1096 L1100 V1101 I1102T1094-Q1098 PolarHBondContact O-N 3.19Å; K1095-Q1098 PolarHBondContact O-N 2.81Å; A1096-Q1098 VanDerWaalsContact C-N 3.34Å; A1096-Q1098 PolarHBondContact O-N 3.44Å; Q1098-L1100 VanDerWaalsContact C-N 3.32Å; Q1098-L1100 PolarHBondContact O-N 3.17Å; Q1098-V1101 PolarHBondContact O-N 3.41Å; Q1098-I1102 WeakPolarHBondContact O-CG1 3.44Å; Q1098-I1102 PolarHBondContact O-N 2.85Å
1099F84.4Confident80.7Confident40 Ų4067 Ų6718%0.17533%0.326CS..Hα-helixtrans-69.9-27.4178.4-75.9-65.5000112.9A1084 F1087 K1095 A1096 I1102 S1103A1084-F1099 HydrophobicContact CB-CB 4.04Å; F1087-F1099 HydrophobicContact CD2-CD2 4.05Å; F1087-F1099 HydrophobicContact CD2-CE2 4.33Å; F1087-F1099 HydrophobicContact CE2-CD2 4.13Å; F1087-F1099 AromaticContact CE2-CE2 3.95Å; F1087-F1099 HydrophobicContact CE2-CE2 3.95Å; K1095-F1099 HydrophobicContact CB-CD2 4.24Å; K1095-F1099 HydrophobicContact CB-CE2 4.41Å; K1095-F1099 WeakPolarHBondContact O-CB 3.45Å; K1095-F1099 VanDerWaalsContact O-CD2 3.27Å; K1095-F1099 WeakPolarHBondContact O-CD2 3.23Å; K1095-F1099 PolarHBondContact O-N 2.81Å; A1096-F1099 PolarHBondContact O-N 2.87Å; F1099-I1102 HydrophobicContact CD1-CD1 3.97Å; F1099-I1102 HydrophobicContact CE1-CD1 4.27Å; F1099-I1102 PolarHBondContact O-N 3.36Å; F1099-S1103 WeakPolarHBondContact O-CB 3.3Å; F1099-S1103 PolarHBondContact O-N 3.07Å; F1099-S1103 PolarHBondContact O-OG 2.82Å
1100L82Confident80.8Confident2 Ų258.6 Ų58.61%0.0130%0.295CS..Hα-helixtrans-69.2-36.9170.7-75.1168.4000111.8A1084 I1088 A1096 I1097 Q1098 S1103 K1104 C1105 I1108 A1109A1084-L1100 HydrophobicContact CB-CD2 3.86Å; A1084-L1100 HydrophobicContact CB-CG 4Å; I1088-L1100 HydrophobicContact CD1-CD1 4.19Å; I1088-L1100 HydrophobicContact CD1-CD2 4.34Å; A1096-L1100 WeakPolarHBondContact O-CB 3.29Å; A1096-L1100 WeakPolarHBondContact O-CD1 3.23Å; A1096-L1100 WeakPolarHBondContact O-CG 3.08Å; A1096-L1100 PolarHBondContact O-N 3.36Å; I1097-L1100 PolarHBondContact O-N 2.9Å; Q1098-L1100 VanDerWaalsContact C-N 3.32Å; Q1098-L1100 PolarHBondContact O-N 3.17Å; L1100-S1103 WeakPolarHBondContact CA-OG 3.5Å; L1100-S1103 CarbonylContact O-C 3.58Å; L1100-S1103 PolarHBondContact O-N 3.34Å; L1100-S1103 PolarHBondContact O-OG 3.3Å; L1100-K1104 PolarHBondContact O-N 3.17Å; L1100-C1105 HydrophobicContact CB-CB 4.42Å; L1100-C1105 HydrophobicContact CD2-CB 3.79Å; L1100-C1105 WeakPolarHBondContact O-CA 3.3Å; L1100-C1105 PolarHBondContact O-N 3.41Å; L1100-I1108 HydrophobicContact CD1-CB 4.22Å; L1100-I1108 HydrophobicContact CD1-CG2 3.73Å; L1100-I1108 HydrophobicContact CD2-CB 4.21Å; L1100-I1108 HydrophobicContact CD2-CG2 4.1Å; L1100-A1109 HydrophobicContact CB-CB 3.9Å; L1100-A1109 HydrophobicContact CD1-CB 4.44Å
1101V81.1Confident80.9Confident19 Ų1958 Ų5812%0.11529%0.292CS..Hα-helixtrans-68-43172.8170.40000110.2I1097 Q1098 S1103 K1104 F1106 A1109 I1126I1097-V1101 HydrophobicContact CG2-CG2 4.5Å; I1097-V1101 WeakPolarHBondContact O-CB 3.34Å; I1097-V1101 VanDerWaalsContact O-CG2 3.23Å; I1097-V1101 WeakPolarHBondContact O-CG2 3.46Å; I1097-V1101 PolarHBondContact O-N 3.47Å; Q1098-V1101 PolarHBondContact O-N 3.41Å; V1101-S1103 VanDerWaalsContact C-N 3.32Å; V1101-S1103 PolarHBondContact O-N 2.87Å; V1101-K1104 WeakPolarHBondContact O-CA 3.25Å; V1101-K1104 PolarHBondContact O-N 2.88Å; V1101-F1106 HydrophobicContact CG1-CE1 4.14Å; V1101-A1109 HydrophobicContact CG2-CB 4.05Å; V1101-I1126 HydrophobicContact CG1-CG1 4.33Å; V1101-I1126 HydrophobicContact CG2-CG1 4.41Å
1102I79.5Confident81.3Confident102 Ų10253 Ų5352%0.52327%0.265SS..Hα-helixtrans-61.5-40.7173.6-66.5165.7000111.1A1080 Q1098 F1099 K1104A1080-I1102 HydrophobicContact CB-CG2 4.07Å; Q1098-I1102 WeakPolarHBondContact O-CG1 3.44Å; Q1098-I1102 PolarHBondContact O-N 2.85Å; F1099-I1102 HydrophobicContact CD1-CD1 3.97Å; F1099-I1102 HydrophobicContact CE1-CD1 4.27Å; F1099-I1102 PolarHBondContact O-N 3.36Å; I1102-K1104 PolarHBondContact O-N 2.99Å
1103S78.6Confident81.3Confident2 Ų250.5 Ų50.51%0.01425%0.251CS..THydrogen-bonded Turntrans-78.511.3175.783.80000113.3I1077 F1099 L1100 V1101 C1105I1077-S1103 WeakPolarHBondContact CG2-O 3.5Å; I1077-S1103 WeakPolarHBondContact O-CB 3.33Å; F1099-S1103 WeakPolarHBondContact O-CB 3.3Å; F1099-S1103 PolarHBondContact O-N 3.07Å; F1099-S1103 PolarHBondContact O-OG 2.82Å; L1100-S1103 WeakPolarHBondContact CA-OG 3.5Å; L1100-S1103 CarbonylContact O-C 3.58Å; L1100-S1103 PolarHBondContact O-N 3.34Å; L1100-S1103 PolarHBondContact O-OG 3.3Å; V1101-S1103 VanDerWaalsContact C-N 3.32Å; V1101-S1103 PolarHBondContact O-N 2.87Å; S1103-C1105 PolarHBondContact O-N 3.33Å; S1103-C1105 PolarHBondContact O-SG 2.75Å; S1103-C1105 VanDerWaalsContact O-SG 3.34Å; S1103-C1105 PolarHBondContact OG-SG 3.34Å; S1103-C1105 VanDerWaalsContact OG-SG 3.42Å
1104K77.4Confident81.5Confident136 Ų13654.1 Ų54.159%0.59126%0.263SS*.THydrogen-bonded Turntrans53.524.8179.2-53.8-170.5-176.1179.70114.5I1077 L1100 V1101 I1102 F1106I1077-K1104 HydrophobicContact CD1-CD 3.84Å; I1077-K1104 HydrophobicContact CD1-CG 4.46Å; I1077-K1104 HydrophobicContact CG1-CD 4.48Å; I1077-K1104 HydrophobicContact CG2-CB 4.4Å; I1077-K1104 HydrophobicContact CG2-CG 4.43Å; L1100-K1104 PolarHBondContact O-N 3.17Å; V1101-K1104 WeakPolarHBondContact O-CA 3.25Å; V1101-K1104 PolarHBondContact O-N 2.88Å; I1102-K1104 PolarHBondContact O-N 2.99Å; K1104-F1106 VanDerWaalsContact C-N 3.28Å; K1104-F1106 HydrophobicContact CB-CE2 3.81Å; K1104-F1106 HydrophobicContact CB-CZ 4.21Å; K1104-F1106 HydrophobicContact CG-CE2 4.39Å; K1104-F1106 HydrophobicContact CG-CZ 4.4Å; K1104-F1106 WeakPolarHBondContact O-CD2 3.49Å; K1104-F1106 PolarHBondContact O-N 3.38Å
1105C80.3Confident81.6Confident23 Ų2358.8 Ų58.816%0.15528%0.277CS..  trans-92.856.8178.6-71.90000110.6L1100 S1103 N1107 I1108 A1109L1100-C1105 HydrophobicContact CB-CB 4.42Å; L1100-C1105 HydrophobicContact CD2-CB 3.79Å; L1100-C1105 WeakPolarHBondContact O-CA 3.3Å; L1100-C1105 PolarHBondContact O-N 3.41Å; S1103-C1105 PolarHBondContact O-N 3.33Å; S1103-C1105 PolarHBondContact O-SG 2.75Å; S1103-C1105 VanDerWaalsContact O-SG 3.34Å; S1103-C1105 PolarHBondContact OG-SG 3.34Å; S1103-C1105 VanDerWaalsContact OG-SG 3.42Å; C1105-N1107 VanDerWaalsContact C-N 3.3Å; C1105-N1107 PolarHBondContact O-N 3.04Å; C1105-I1108 HydrophobicContact CB-CD1 4.41Å; C1105-I1108 PolarHBondContact O-N 2.77Å; C1105-A1109 PolarHBondContact O-N 2.91Å; C1105-A1109 VanDerWaalsContact O-N 3.12Å
1106F79.4Confident81.7Confident48 Ų4857.4 Ų57.421%0.21127%0.272CS..Hα-helixtrans-58.4-36.7-172.7-56.4-72.4000113.4V1101 K1104 I1108 A1109 F1110 Y1122 I1126 E1134V1101-F1106 HydrophobicContact CG1-CE1 4.14Å; K1104-F1106 VanDerWaalsContact C-N 3.28Å; K1104-F1106 HydrophobicContact CB-CE2 3.81Å; K1104-F1106 HydrophobicContact CB-CZ 4.21Å; K1104-F1106 HydrophobicContact CG-CE2 4.39Å; K1104-F1106 HydrophobicContact CG-CZ 4.4Å; K1104-F1106 WeakPolarHBondContact O-CD2 3.49Å; K1104-F1106 PolarHBondContact O-N 3.38Å; F1106-I1108 PolarHBondContact O-N 2.74Å; F1106-A1109 CarbonylContact O-C 3.59Å; F1106-A1109 PolarHBondContact O-N 3.36Å; F1106-F1110 WeakPolarHBondContact O-CB 3.45Å; F1106-F1110 PolarHBondContact O-N 2.83Å; F1106-Y1122 PolarHBondContact O-OH 3.26Å; F1106-I1126 HydrophobicContact CD1-CD1 4.02Å; F1106-I1126 HydrophobicContact CD1-CG1 4.23Å; F1106-I1126 HydrophobicContact CE1-CG1 4.31Å; F1106-E1134 HydrophobicContact CB-CG 4.06Å; F1106-E1134 WeakPolarHBondContact CD2-OE1 3.23Å; F1106-E1134 HydrophobicContact CG-CG 4.34Å; F1106-E1134 VanDerWaalsContact CG-OE1 3.22Å; F1106-E1134 WeakPolarHBondContact CG-OE1 3.35Å
1107N80.3Confident81.6Confident119 Ų11965.9 Ų65.964%0.63631%0.308SS*.Hα-helixtrans-62.3-42.6179-64.8-27.3000112.8C1105 F1110 D1111C1105-N1107 VanDerWaalsContact C-N 3.3Å; C1105-N1107 PolarHBondContact O-N 3.04Å; N1107-F1110 PolarHBondContact O-N 3.5Å; N1107-D1111 WeakPolarHBondContact O-CB 3.21Å; N1107-D1111 PolarHBondContact O-N 3.24Å
1108I81.7Confident81.6Confident85 Ų8568.9 Ų68.944%0.43632%0.321SS..Hα-helixtrans-71.6-40.2179.8-55.1176.1000109.2L1100 C1105 F1106 F1110 L1112L1100-I1108 HydrophobicContact CD1-CB 4.22Å; L1100-I1108 HydrophobicContact CD1-CG2 3.73Å; L1100-I1108 HydrophobicContact CD2-CB 4.21Å; L1100-I1108 HydrophobicContact CD2-CG2 4.1Å; C1105-I1108 HydrophobicContact CB-CD1 4.41Å; C1105-I1108 PolarHBondContact O-N 2.77Å; F1106-I1108 PolarHBondContact O-N 2.74Å; I1108-F1110 VanDerWaalsContact C-N 3.35Å; I1108-L1112 WeakPolarHBondContact O-CB 3.48Å; I1108-L1112 PolarHBondContact O-N 3.3Å
1109A81.3Confident81.7Confident0 Ų064 Ų640%030%0.298CS..Hα-helixtrans-63.1-40173.900000112I1097 L1100 V1101 C1105 F1106 L1112 A1113 Y1122I1097-A1109 HydrophobicContact CG2-CB 4.48Å; L1100-A1109 HydrophobicContact CB-CB 3.9Å; L1100-A1109 HydrophobicContact CD1-CB 4.44Å; V1101-A1109 HydrophobicContact CG2-CB 4.05Å; C1105-A1109 PolarHBondContact O-N 2.91Å; C1105-A1109 VanDerWaalsContact O-N 3.12Å; F1106-A1109 CarbonylContact O-C 3.59Å; F1106-A1109 PolarHBondContact O-N 3.36Å; A1109-L1112 PolarHBondContact O-N 3.22Å; A1109-A1113 VanDerWaalsContact O-CB 3.23Å; A1109-A1113 WeakPolarHBondContact O-CB 3.49Å; A1109-A1113 PolarHBondContact O-N 3.04Å; A1109-Y1122 HydrophobicContact CB-CD2 4.01Å; A1109-Y1122 HydrophobicContact CB-CE2 3.75Å
1110F83Confident81.4Confident23 Ų2369.2 Ų69.210%0.10132%0.323CS..Hα-helixtrans-65-47.6177-178.3-86.2000111.1F1106 N1107 I1108 L1112 A1113 R1114 M1119 Y1122 N1137F1106-F1110 WeakPolarHBondContact O-CB 3.45Å; F1106-F1110 PolarHBondContact O-N 2.83Å; N1107-F1110 PolarHBondContact O-N 3.5Å; I1108-F1110 VanDerWaalsContact C-N 3.35Å; F1110-L1112 VanDerWaalsContact C-N 3.31Å; F1110-L1112 PolarHBondContact O-N 3.2Å; F1110-A1113 PolarHBondContact O-N 2.91Å; F1110-R1114 HydrophobicContact CE1-CB 4.45Å; F1110-R1114 VanDerWaalsContact O-CB 3.24Å; F1110-R1114 WeakPolarHBondContact O-CB 3.44Å; F1110-R1114 PolarHBondContact O-N 2.84Å; F1110-M1119 HydrophobicContact CD2-CE 3.4Å; F1110-M1119 VanDerWaalsContact CD2-CE 3.4Å; F1110-M1119 HydrophobicContact CD2-SD 4.16Å; F1110-M1119 HydrophobicContact CE2-CE 3.18Å; F1110-M1119 HydrophobicContact CE2-SD 3.92Å; F1110-M1119 HydrophobicContact CZ-CE 4.17Å; F1110-M1119 HydrophobicContact CZ-SD 4.44Å; F1110-Y1122 HydrophobicContact CB-CE1 4.41Å; F1110-Y1122 HydrophobicContact CB-CE2 3.92Å; F1110-Y1122 HydrophobicContact CD2-CD1 4.4Å; F1110-Y1122 AromaticContact CD2-CE1 3.72Å; F1110-Y1122 HydrophobicContact CD2-CE1 3.72Å; F1110-Y1122 AromaticContact CD2-CZ 3.88Å; F1110-N1137 HydrophobicContact CD2-CB 4.27Å; F1110-N1137 HydrophobicContact CE2-CB 3.58Å; F1110-N1137 HydrophobicContact CZ-CB 3.84Å
1111D83.7Confident81.2Confident77 Ų7773.4 Ų73.441%0.41235%0.345SS..Hα-helixtrans-64.1-39.2177.7-82.4-31.5000111.7N1107 R1114 K1115N1107-D1111 WeakPolarHBondContact O-CB 3.21Å; N1107-D1111 PolarHBondContact O-N 3.24Å; D1111-R1114 IonicContact OD1-CZ 2.79Å; D1111-R1114 IonicContact OD1-NE 2.99Å; D1111-R1114 IonicContact OD1-NH2 3.76Å; D1111-R1114 PolarHBondContact OD1-NH2 2.87Å; D1111-K1115 WeakPolarHBondContact O-CB 3.36Å; D1111-K1115 PolarHBondContact O-N 2.78Å
1112L83.8Confident81.3Confident32 Ų3272.6 Ų72.617%0.16834%0.34CS..Hα-helixtrans-64.6-44.2174.3-14980.8000110.9Q1093 A1096 I1097 I1108 A1109 F1110 H1116Q1093-L1112 HydrophobicContact CB-CD2 4.06Å; Q1093-L1112 HydrophobicContact CG-CD2 4.43Å; A1096-L1112 HydrophobicContact CB-CD2 4.31Å; I1097-L1112 HydrophobicContact CD1-CD2 4.07Å; I1097-L1112 HydrophobicContact CG1-CB 4.23Å; I1097-L1112 HydrophobicContact CG1-CD2 3.6Å; I1097-L1112 HydrophobicContact CG1-CG 4.4Å; I1108-L1112 WeakPolarHBondContact O-CB 3.48Å; I1108-L1112 PolarHBondContact O-N 3.3Å; A1109-L1112 PolarHBondContact O-N 3.22Å; F1110-L1112 VanDerWaalsContact C-N 3.31Å; F1110-L1112 PolarHBondContact O-N 3.2Å; L1112-H1116 WeakPolarHBondContact O-CB 3.34Å; L1112-H1116 PolarHBondContact O-CD2 3.17Å; L1112-H1116 VanDerWaalsContact O-CD2 3.28Å; L1112-H1116 PolarHBondContact O-N 2.87Å; L1112-H1116 VanDerWaalsContact O-N 3.11Å
1113A83.7Confident81.4Confident0 Ų068.5 Ų68.50%032%0.321CS..Hα-helixtrans-65-43.7177.900000112.2A1109 F1110 H1116 K1117 K1118 M1119 Y1122A1109-A1113 VanDerWaalsContact O-CB 3.23Å; A1109-A1113 WeakPolarHBondContact O-CB 3.49Å; A1109-A1113 PolarHBondContact O-N 3.04Å; F1110-A1113 PolarHBondContact O-N 2.91Å; A1113-H1116 CarbonylContact O-C 3.56Å; A1113-H1116 PolarHBondContact O-N 3.38Å; A1113-K1117 CarbonylContact O-C 3.53Å; A1113-K1117 WeakPolarHBondContact O-CA 3.25Å; A1113-K1117 PolarHBondContact O-N 3.29Å; A1113-K1118 PolarHBondContact O-N 3.13Å; A1113-M1119 HydrophobicContact CB-SD 4.34Å; A1113-Y1122 HydrophobicContact CB-CD2 4.22Å; A1113-Y1122 HydrophobicContact CB-CG 4.07Å
1114R83.3Confident81.5Confident134 Ų13475.4 Ų75.451%0.50635%0.353SS..Hα-helixtrans-63-47.9176-178175.964.6164.2-2.1111.3F1110 D1111 H1116 K1117F1110-R1114 HydrophobicContact CE1-CB 4.45Å; F1110-R1114 VanDerWaalsContact O-CB 3.24Å; F1110-R1114 WeakPolarHBondContact O-CB 3.44Å; F1110-R1114 PolarHBondContact O-N 2.84Å; D1111-R1114 IonicContact OD1-CZ 2.79Å; D1111-R1114 IonicContact OD1-NE 2.99Å; D1111-R1114 IonicContact OD1-NH2 3.76Å; D1111-R1114 PolarHBondContact OD1-NH2 2.87Å; R1114-H1116 PolarHBondContact O-N 2.71Å; R1114-K1117 PolarHBondContact O-N 2.95Å
1115K82.6Confident81.3Confident169 Ų16971.2 Ų71.274%0.73534%0.344SS*.Hα-helixtrans-61.2-33.7179.6-173.2177.6-178.3-179.10112.2D1111D1111-K1115 WeakPolarHBondContact O-CB 3.36Å; D1111-K1115 PolarHBondContact O-N 2.78Å
1116H82.5Confident81.3Confident70 Ų7070.9 Ų70.932%0.32434%0.34SS..THydrogen-bonded Turntrans-103.110.1-178.3-69.3-74.3000114.3Q1093 L1112 A1113 R1114 K1118Q1093-H1116 PolarHBondContact NE2-CE1 3Å; Q1093-H1116 PolarHBondContact NE2-NE2 3.14Å; Q1093-H1116 PolarHBondContact OE1-CD2 3.48Å; Q1093-H1116 PolarHBondContact OE1-CE1 3.25Å; Q1093-H1116 VanDerWaalsContact OE1-CE1 3.27Å; Q1093-H1116 PolarHBondContact OE1-ND1 2.85Å; Q1093-H1116 PolarHBondContact OE1-NE2 3.47Å; L1112-H1116 WeakPolarHBondContact O-CB 3.34Å; L1112-H1116 PolarHBondContact O-CD2 3.17Å; L1112-H1116 VanDerWaalsContact O-CD2 3.28Å; L1112-H1116 PolarHBondContact O-N 2.87Å; L1112-H1116 VanDerWaalsContact O-N 3.11Å; A1113-H1116 CarbonylContact O-C 3.56Å; A1113-H1116 PolarHBondContact O-N 3.38Å; R1114-H1116 PolarHBondContact O-N 2.71Å; H1116-K1118 PolarHBondContact O-N 3.29Å
1117K81Confident80.9Confident178 Ų17870.2 Ų70.277%0.77435%0.347SS*.THydrogen-bonded Turntrans50.638-177.5-63.9-173.1175.9-1730114.3A1113 R1114A1113-K1117 CarbonylContact O-C 3.53Å; A1113-K1117 WeakPolarHBondContact O-CA 3.25Å; A1113-K1117 PolarHBondContact O-N 3.29Å; R1114-K1117 PolarHBondContact O-N 2.95Å
1118K83.1Confident80.3Confident79 Ų7971.8 Ų71.834%0.34336%0.355SS..  trans-108.843.1177.5-69.8-175.9177.6-177.30111.4A1113 H1116 E1120 L1121 Y1122A1113-K1118 PolarHBondContact O-N 3.13Å; H1116-K1118 PolarHBondContact O-N 3.29Å; K1118-E1120 PolarHBondContact O-N 3.08Å; K1118-L1121 HydrophobicContact CB-CB 4.41Å; K1118-L1121 HydrophobicContact CB-CD1 4.22Å; K1118-L1121 HydrophobicContact CD-CD1 3.98Å; K1118-L1121 HydrophobicContact CG-CD1 4.2Å; K1118-L1121 PolarHBondContact O-N 3.49Å; K1118-Y1122 PolarHBondContact O-N 2.88Å
1119M82.2Confident79.5Confident7 Ų775.2 Ų75.23%0.03437%0.374CS..Hα-helixtrans-70.1-31.3-172.3-158.561.3-146.100112.9F1110 A1113 Y1122 A1123 I1138 Y1141F1110-M1119 HydrophobicContact CD2-CE 3.4Å; F1110-M1119 VanDerWaalsContact CD2-CE 3.4Å; F1110-M1119 HydrophobicContact CD2-SD 4.16Å; F1110-M1119 HydrophobicContact CE2-CE 3.18Å; F1110-M1119 HydrophobicContact CE2-SD 3.92Å; F1110-M1119 HydrophobicContact CZ-CE 4.17Å; F1110-M1119 HydrophobicContact CZ-SD 4.44Å; A1113-M1119 HydrophobicContact CB-SD 4.34Å; M1119-Y1122 HydrophobicContact CE-CD1 3.25Å; M1119-Y1122 HydrophobicContact CE-CE1 3.61Å; M1119-Y1122 HydrophobicContact CE-CG 4.14Å; M1119-Y1122 PolarHBondContact O-N 3.42Å; M1119-Y1122 HydrophobicContact SD-CD1 4.29Å; M1119-A1123 PolarHBondContact O-N 2.69Å; M1119-I1138 HydrophobicContact CE-CB 4.4Å; M1119-I1138 HydrophobicContact CE-CD1 4.49Å; M1119-I1138 HydrophobicContact CE-CG1 3.47Å; M1119-I1138 VanDerWaalsContact CE-CG1 3.47Å; M1119-Y1141 HydrophobicContact CB-CD1 4.49Å; M1119-Y1141 HydrophobicContact CB-CE1 4.3Å; M1119-Y1141 HydrophobicContact CG-CD1 4.06Å; M1119-Y1141 HydrophobicContact CG-CE1 4.36Å; M1119-Y1141 HydrophobicContact CG-CG 4.21Å
1120E78.8Confident78.8Confident148 Ų14876 Ų7669%0.69238%0.38SS*.Hα-helixtrans-67.1-43.3173.8-66.4179.3172.800112.3K1118 Y1122 A1123 E1124K1118-E1120 PolarHBondContact O-N 3.08Å; E1120-Y1122 VanDerWaalsContact C-N 3.27Å; E1120-Y1122 PolarHBondContact O-N 3.42Å; E1120-A1123 CarbonylContact O-C 3.58Å; E1120-A1123 PolarHBondContact O-N 3.27Å; E1120-A1123 VanDerWaalsContact O-N 3.12Å; E1120-E1124 WeakPolarHBondContact O-CB 3.28Å; E1120-E1124 PolarHBondContact O-N 2.77Å
1121L78.6Confident78.5Confident91 Ų9177 Ų7748%0.47639%0.39SS..Hα-helixtrans-62.4-33.9174.9-84.3165.5000112.4K1118 A1125K1118-L1121 HydrophobicContact CB-CB 4.41Å; K1118-L1121 HydrophobicContact CB-CD1 4.22Å; K1118-L1121 HydrophobicContact CD-CD1 3.98Å; K1118-L1121 HydrophobicContact CG-CD1 4.2Å; K1118-L1121 PolarHBondContact O-N 3.49Å; L1121-A1125 VanDerWaalsContact O-CB 3.24Å; L1121-A1125 WeakPolarHBondContact O-CB 3.37Å; L1121-A1125 PolarHBondContact O-N 3.39Å
1122Y82.9Confident78.4Confident2 Ų277.6 Ų77.61%0.00839%0.393CS..Hα-helixtrans-69.2-44.1172.3172.8-89.5000111.5F1106 A1109 F1110 A1113 K1118 M1119 E1120 E1124 A1125 I1126 I1138F1106-Y1122 PolarHBondContact O-OH 3.26Å; A1109-Y1122 HydrophobicContact CB-CD2 4.01Å; A1109-Y1122 HydrophobicContact CB-CE2 3.75Å; F1110-Y1122 HydrophobicContact CB-CE1 4.41Å; F1110-Y1122 HydrophobicContact CB-CE2 3.92Å; F1110-Y1122 HydrophobicContact CD2-CD1 4.4Å; F1110-Y1122 AromaticContact CD2-CE1 3.72Å; F1110-Y1122 HydrophobicContact CD2-CE1 3.72Å; F1110-Y1122 AromaticContact CD2-CZ 3.88Å; A1113-Y1122 HydrophobicContact CB-CD2 4.22Å; A1113-Y1122 HydrophobicContact CB-CG 4.07Å; K1118-Y1122 PolarHBondContact O-N 2.88Å; M1119-Y1122 HydrophobicContact CE-CD1 3.25Å; M1119-Y1122 HydrophobicContact CE-CE1 3.61Å; M1119-Y1122 HydrophobicContact CE-CG 4.14Å; M1119-Y1122 PolarHBondContact O-N 3.42Å; M1119-Y1122 HydrophobicContact SD-CD1 4.29Å; E1120-Y1122 VanDerWaalsContact C-N 3.27Å; E1120-Y1122 PolarHBondContact O-N 3.42Å; Y1122-E1124 VanDerWaalsContact C-N 3.3Å; Y1122-E1124 PolarHBondContact O-N 3.11Å; Y1122-A1125 PolarHBondContact O-N 2.88Å; Y1122-I1126 HydrophobicContact CD1-CD1 3.86Å; Y1122-I1126 HydrophobicContact CD2-CD1 4.18Å; Y1122-I1126 HydrophobicContact CE1-CD1 3.29Å; Y1122-I1126 HydrophobicContact CE2-CD1 3.65Å; Y1122-I1126 HydrophobicContact CG-CD1 4.29Å; Y1122-I1126 WeakPolarHBondContact O-CG1 3.12Å; Y1122-I1126 PolarHBondContact O-N 3.27Å; Y1122-I1126 WeakPolarHBondContact OH-CD1 3.4Å; Y1122-I1138 HydrophobicContact CD1-CD1 4.38Å; Y1122-I1138 HydrophobicContact CD1-CG1 4.44Å; Y1122-I1138 HydrophobicContact CE1-CD1 4.15Å; Y1122-I1138 HydrophobicContact CE1-CG1 4.23Å
1123A81.2Confident78.2Confident15 Ų1579.1 Ų79.112%0.12441%0.406CS..Hα-helixtrans-63.4-35.2175.900000112.3M1119 E1120 G1127 I1138M1119-A1123 PolarHBondContact O-N 2.69Å; E1120-A1123 CarbonylContact O-C 3.58Å; E1120-A1123 PolarHBondContact O-N 3.27Å; E1120-A1123 VanDerWaalsContact O-N 3.12Å; A1123-G1127 PolarHBondContact O-N 3.41Å; A1123-I1138 HydrophobicContact CB-CD1 4.23Å
1124E79.6Confident78Confident148 Ų14879.7 Ų79.769%0.69241%0.409SS*.Hα-helixtrans-72.2-45.4175.8-170.9179.5-16800112.5E1120 Y1122 I1126 G1127E1120-E1124 WeakPolarHBondContact O-CB 3.28Å; E1120-E1124 PolarHBondContact O-N 2.77Å; Y1122-E1124 VanDerWaalsContact C-N 3.3Å; Y1122-E1124 PolarHBondContact O-N 3.11Å; E1124-I1126 PolarHBondContact O-N 3.33Å; E1124-G1127 PolarHBondContact O-N 2.9Å; E1124-G1127 VanDerWaalsContact O-N 3.15Å
1125A74.4Confident78.1Confident47 Ų4774.1 Ų74.139%0.38839%0.388SS..Hα-helixtrans-64.2-25.818000000113.4L1121 Y1122L1121-A1125 VanDerWaalsContact O-CB 3.24Å; L1121-A1125 WeakPolarHBondContact O-CB 3.37Å; L1121-A1125 PolarHBondContact O-N 3.39Å; Y1122-A1125 PolarHBondContact O-N 2.88Å
1126I79.8Confident78.2Confident17 Ų1769.3 Ų69.39%0.08737%0.368CS..Hα-helixtrans-81.3-37174.7-71.8179.2000111.7V1101 F1106 Y1122 E1124 A1130V1101-I1126 HydrophobicContact CG1-CG1 4.33Å; V1101-I1126 HydrophobicContact CG2-CG1 4.41Å; F1106-I1126 HydrophobicContact CD1-CD1 4.02Å; F1106-I1126 HydrophobicContact CD1-CG1 4.23Å; F1106-I1126 HydrophobicContact CE1-CG1 4.31Å; Y1122-I1126 HydrophobicContact CD1-CD1 3.86Å; Y1122-I1126 HydrophobicContact CD2-CD1 4.18Å; Y1122-I1126 HydrophobicContact CE1-CD1 3.29Å; Y1122-I1126 HydrophobicContact CE2-CD1 3.65Å; Y1122-I1126 HydrophobicContact CG-CD1 4.29Å; Y1122-I1126 WeakPolarHBondContact O-CG1 3.12Å; Y1122-I1126 PolarHBondContact O-N 3.27Å; Y1122-I1126 WeakPolarHBondContact OH-CD1 3.4Å; E1124-I1126 PolarHBondContact O-N 3.33Å; I1126-A1130 VanDerWaalsContact CG2-CA 3.46Å; I1126-A1130 HydrophobicContact CG2-CB 3.09Å
1127G71.1Confident78.3Confident34 Ų3469 Ų6935%0.35137%0.369SS..G310 helixtrans60.4-152.8-179.800000113.3A1123 E1124 N1129 Y1135A1123-G1127 PolarHBondContact O-N 3.41Å; E1124-G1127 PolarHBondContact O-N 2.9Å; E1124-G1127 VanDerWaalsContact O-N 3.15Å; G1127-N1129 PolarHBondContact O-N 3.46Å; G1127-Y1135 PolarHBondContact O-OH 3.4Å
1128L67.9Low78.5Confident152 Ų15260.6 Ų60.680%0.79633%0.332SS*.G310 helixtrans-70.8-10.2-178.3-69.1167.8000114Y1135L1128-Y1135 VanDerWaalsContact C-OH 3.24Å; L1128-Y1135 WeakPolarHBondContact CA-OH 3.41Å; L1128-Y1135 PolarHBondContact O-OH 3.05Å; L1128-Y1135 VanDerWaalsContact O-OH 3.12Å
1129N64.6Low78.6Confident156 Ų15656.8 Ų56.883%0.83432%0.316SS*.G310 helixtrans-9514.1-171.3-65.7-15.9000114.1G1127G1127-N1129 PolarHBondContact O-N 3.46Å
1130A67.9Low78.8Confident16 Ų1661.6 Ų61.613%0.13234%0.337CS..  trans-64.9153.8179.500000113.4I1126 E1134 Y1135I1126-A1130 VanDerWaalsContact CG2-CA 3.46Å; I1126-A1130 HydrophobicContact CG2-CB 3.09Å; A1130-E1134 WeakPolarHBondContact CA-OE2 3.33Å; A1130-E1134 HydrophobicContact CB-CB 4.24Å; A1130-Y1135 HydrophobicContact CB-CD1 4.03Å; A1130-Y1135 HydrophobicContact CB-CD2 3.88Å; A1130-Y1135 HydrophobicContact CB-CE1 3.6Å; A1130-Y1135 HydrophobicContact CB-CE2 3.45Å; A1130-Y1135 VanDerWaalsContact CB-CE2 3.45Å; A1130-Y1135 HydrophobicContact CB-CG 4.16Å
1131S76.5Confident79.2Confident44 Ų4456.9 Ų56.931%0.30831%0.313SS..  trans-73152165.375.60000111.5S1133 E1134 Y1135S1131-S1133 PolarHBondContact O-N 3.34Å; S1131-S1133 VanDerWaalsContact O-N 3.15Å; S1131-S1133 PolarHBondContact OG-OG 3.49Å; S1131-S1133 VanDerWaalsContact OG-OG 3.05Å; S1131-E1134 PolarHBondContact N-OE2 2.91Å; S1131-E1134 WeakPolarHBondContact O-CB 3.39Å; S1131-E1134 PolarHBondContact O-N 3.46Å; S1131-E1134 WeakPolarHBondContact OG-CG 2.96Å; S1131-E1134 PolarHBondContact OG-OE1 2.91Å; S1131-E1134 PolarHBondContact OG-OE2 3.12Å; S1131-Y1135 PolarHBondContact O-N 2.89Å
1132L81.3Confident79.6Confident90 Ų9053.1 Ų53.147%0.47129%0.292SS..Hα-helixtrans-55.4-35.1-180-65.3164000112.5Q1136 K1159L1132-Q1136 WeakPolarHBondContact O-CB 3.32Å; L1132-Q1136 PolarHBondContact O-N 3.14Å; L1132-K1159 HydrophobicContact CD2-CB 3.89Å; L1132-K1159 HydrophobicContact CD2-CD 3.85Å; L1132-K1159 HydrophobicContact CD2-CG 3.6Å
1133S79.8Confident79.7Confident64 Ų6455.2 Ų55.245%0.44830%0.302SS..Hα-helixtrans-69.5-30.4177.349.30000113.5S1131 Q1136 N1137S1131-S1133 PolarHBondContact O-N 3.34Å; S1131-S1133 VanDerWaalsContact O-N 3.15Å; S1131-S1133 PolarHBondContact OG-OG 3.49Å; S1131-S1133 VanDerWaalsContact OG-OG 3.05Å; S1133-Q1136 WeakPolarHBondContact O-CB 3.36Å; S1133-Q1136 PolarHBondContact O-N 2.93Å; S1133-N1137 VanDerWaalsContact O-CG 3.23Å; S1133-N1137 PolarHBondContact O-N 3.1Å; S1133-N1137 PolarHBondContact O-ND2 3.44Å
1134E78.6Confident79.9Confident12 Ų1259.5 Ų59.56%0.05632%0.323CS..Hα-helixtrans-70.7-45.2176.3-74144.6-14600110.9F1106 A1130 S1131 Q1136 N1137 I1138F1106-E1134 HydrophobicContact CB-CG 4.06Å; F1106-E1134 WeakPolarHBondContact CD2-OE1 3.23Å; F1106-E1134 HydrophobicContact CG-CG 4.34Å; F1106-E1134 VanDerWaalsContact CG-OE1 3.22Å; F1106-E1134 WeakPolarHBondContact CG-OE1 3.35Å; A1130-E1134 WeakPolarHBondContact CA-OE2 3.33Å; A1130-E1134 HydrophobicContact CB-CB 4.24Å; S1131-E1134 PolarHBondContact N-OE2 2.91Å; S1131-E1134 WeakPolarHBondContact O-CB 3.39Å; S1131-E1134 PolarHBondContact O-N 3.46Å; S1131-E1134 WeakPolarHBondContact OG-CG 2.96Å; S1131-E1134 PolarHBondContact OG-OE1 2.91Å; S1131-E1134 PolarHBondContact OG-OE2 3.12Å; E1134-Q1136 PolarHBondContact O-N 3.27Å; E1134-N1137 PolarHBondContact O-N 3.35Å; E1134-I1138 WeakPolarHBondContact O-CD1 3.4Å; E1134-I1138 VanDerWaalsContact O-CG1 3.27Å; E1134-I1138 WeakPolarHBondContact O-CG1 3.41Å; E1134-I1138 PolarHBondContact O-N 3.39Å
1135Y85.3Confident80.2Confident18 Ų1857.6 Ų57.67%0.07131%0.314CS..Hα-helixtrans-59.8-37.7172.2-69.3-50.4000111.6G1127 L1128 A1130 S1131 N1137 I1138 A1139 Y1154 L1157G1127-Y1135 PolarHBondContact O-OH 3.4Å; L1128-Y1135 VanDerWaalsContact C-OH 3.24Å; L1128-Y1135 WeakPolarHBondContact CA-OH 3.41Å; L1128-Y1135 PolarHBondContact O-OH 3.05Å; L1128-Y1135 VanDerWaalsContact O-OH 3.12Å; A1130-Y1135 HydrophobicContact CB-CD1 4.03Å; A1130-Y1135 HydrophobicContact CB-CD2 3.88Å; A1130-Y1135 HydrophobicContact CB-CE1 3.6Å; A1130-Y1135 HydrophobicContact CB-CE2 3.45Å; A1130-Y1135 VanDerWaalsContact CB-CE2 3.45Å; A1130-Y1135 HydrophobicContact CB-CG 4.16Å; S1131-Y1135 PolarHBondContact O-N 2.89Å; Y1135-N1137 PolarHBondContact O-N 3.37Å; Y1135-I1138 HydrophobicContact CD1-CD1 4.4Å; Y1135-I1138 PolarHBondContact O-N 3.24Å; Y1135-A1139 VanDerWaalsContact O-CB 3.27Å; Y1135-A1139 WeakPolarHBondContact O-CB 3.32Å; Y1135-A1139 PolarHBondContact O-N 3.39Å; Y1135-Y1154 HydrophobicContact CD1-CD1 4.07Å; Y1135-L1157 HydrophobicContact CD1-CB 3.9Å; Y1135-L1157 HydrophobicContact CD1-CD1 4.21Å; Y1135-L1157 HydrophobicContact CD2-CB 3.85Å; Y1135-L1157 VanDerWaalsContact CD2-O 3.31Å; Y1135-L1157 WeakPolarHBondContact CD2-O 3.48Å; Y1135-L1157 HydrophobicContact CE1-CB 4.13Å; Y1135-L1157 HydrophobicContact CE1-CD1 3.96Å; Y1135-L1157 HydrophobicContact CE2-CB 4.07Å; Y1135-L1157 HydrophobicContact CG-CB 3.76Å
1136Q85.4Confident80.6Confident67 Ų6762.9 Ų62.931%0.31333%0.328SS..Hα-helixtrans-64-40176-169-179-11.400112.6L1132 S1133 E1134 A1139 F1140 Y1155 A1158 Q1160L1132-Q1136 WeakPolarHBondContact O-CB 3.32Å; L1132-Q1136 PolarHBondContact O-N 3.14Å; S1133-Q1136 WeakPolarHBondContact O-CB 3.36Å; S1133-Q1136 PolarHBondContact O-N 2.93Å; E1134-Q1136 PolarHBondContact O-N 3.27Å; Q1136-A1139 PolarHBondContact O-N 3.03Å; Q1136-F1140 WeakPolarHBondContact O-CB 3.47Å; Q1136-F1140 PolarHBondContact O-N 3.45Å; Q1136-Y1155 HydrophobicContact CG-CE1 4.09Å; Q1136-A1158 HydrophobicContact CB-CB 4.13Å; Q1136-Q1160 VanDerWaalsContact OE1-NE2 3.11Å
1137N83.8Confident80.9Confident64 Ų6465.1 Ų65.134%0.34234%0.341SS..Hα-helixtrans-70.3-37.4177.6-70-24.4000111.9F1110 S1133 E1134 Y1135 Y1141F1110-N1137 HydrophobicContact CD2-CB 4.27Å; F1110-N1137 HydrophobicContact CE2-CB 3.58Å; F1110-N1137 HydrophobicContact CZ-CB 3.84Å; S1133-N1137 VanDerWaalsContact O-CG 3.23Å; S1133-N1137 PolarHBondContact O-N 3.1Å; S1133-N1137 PolarHBondContact O-ND2 3.44Å; E1134-N1137 PolarHBondContact O-N 3.35Å; Y1135-N1137 PolarHBondContact O-N 3.37Å; N1137-Y1141 PolarHBondContact O-N 2.74Å
1138I85.3Confident81.8Confident1 Ų167.7 Ų67.71%0.00534%0.34CS..Hα-helixtrans-62.9-46171.2-64.9161.6000109.9M1119 Y1122 A1123 E1134 Y1135 F1140 Y1141 F1142 Y1154M1119-I1138 HydrophobicContact CE-CB 4.4Å; M1119-I1138 HydrophobicContact CE-CD1 4.49Å; M1119-I1138 HydrophobicContact CE-CG1 3.47Å; M1119-I1138 VanDerWaalsContact CE-CG1 3.47Å; Y1122-I1138 HydrophobicContact CD1-CD1 4.38Å; Y1122-I1138 HydrophobicContact CD1-CG1 4.44Å; Y1122-I1138 HydrophobicContact CE1-CD1 4.15Å; Y1122-I1138 HydrophobicContact CE1-CG1 4.23Å; A1123-I1138 HydrophobicContact CB-CD1 4.23Å; E1134-I1138 WeakPolarHBondContact O-CD1 3.4Å; E1134-I1138 VanDerWaalsContact O-CG1 3.27Å; E1134-I1138 WeakPolarHBondContact O-CG1 3.41Å; E1134-I1138 PolarHBondContact O-N 3.39Å; Y1135-I1138 HydrophobicContact CD1-CD1 4.4Å; Y1135-I1138 PolarHBondContact O-N 3.24Å; I1138-F1140 PolarHBondContact O-N 3.33Å; I1138-Y1141 WeakPolarHBondContact O-CB 3.26Å; I1138-Y1141 PolarHBondContact O-N 3.05Å; I1138-F1142 HydrophobicContact CG2-CD2 3.81Å; I1138-F1142 HydrophobicContact CG2-CE2 3.57Å; I1138-F1142 VanDerWaalsContact O-CD2 3.26Å; I1138-F1142 WeakPolarHBondContact O-CD2 3.33Å; I1138-F1142 PolarHBondContact O-N 2.85Å; I1138-F1142 VanDerWaalsContact O-N 3.13Å; I1138-Y1154 HydrophobicContact CB-CD1 4.41Å; I1138-Y1154 HydrophobicContact CB-CG 4.39Å; I1138-Y1154 HydrophobicContact CG2-CD1 3.76Å; I1138-Y1154 HydrophobicContact CG2-CD2 3.67Å; I1138-Y1154 HydrophobicContact CG2-CE1 3.95Å; I1138-Y1154 HydrophobicContact CG2-CE2 3.88Å; I1138-Y1154 HydrophobicContact CG2-CG 3.62Å
1139A85.2Confident82.7Confident0 Ų065 Ų650%032%0.32CS..Hα-helixtrans-61.5-43.4178.100000111.9Y1135 Q1136 Y1141 F1142 E1143 Y1155Y1135-A1139 VanDerWaalsContact O-CB 3.27Å; Y1135-A1139 WeakPolarHBondContact O-CB 3.32Å; Y1135-A1139 PolarHBondContact O-N 3.39Å; Q1136-A1139 PolarHBondContact O-N 3.03Å; A1139-Y1141 VanDerWaalsContact C-N 3.32Å; A1139-Y1141 PolarHBondContact O-N 2.7Å; A1139-F1142 PolarHBondContact O-N 3.3Å; A1139-E1143 WeakPolarHBondContact O-CB 3.48Å; A1139-E1143 PolarHBondContact O-N 3.01Å; A1139-Y1155 HydrophobicContact CB-CD1 3.57Å; A1139-Y1155 HydrophobicContact CB-CD2 3.78Å; A1139-Y1155 HydrophobicContact CB-CE1 3.58Å; A1139-Y1155 HydrophobicContact CB-CE2 3.81Å; A1139-Y1155 HydrophobicContact CB-CG 3.64Å
1140F87.3Confident83.7Confident108 Ų10859.5 Ų59.547%0.47429%0.29SS..Hα-helixtrans-64.5-34.4176.3-173.9-105.4000112.5Q1136 I1138 E1143 N1144Q1136-F1140 WeakPolarHBondContact O-CB 3.47Å; Q1136-F1140 PolarHBondContact O-N 3.45Å; I1138-F1140 PolarHBondContact O-N 3.33Å; F1140-E1143 WeakPolarHBondContact CD2-OE2 3.2Å; F1140-N1144 WeakPolarHBondContact CD1-ND2 3.45Å; F1140-N1144 WeakPolarHBondContact CE1-ND2 3.46Å; F1140-N1144 WeakPolarHBondContact CZ-ND2 3.43Å; F1140-N1144 PolarHBondContact O-N 3.35Å; F1140-N1144 VanDerWaalsContact O-N 3.1Å; F1140-N1144 PolarHBondContact O-ND2 2.95Å
1141Y87.1Confident84.7Confident49 Ų4958.8 Ų58.819%0.19228%0.284CS..Hα-helixtrans-61.2-49.5172.5177.5-88.4000111M1119 N1137 I1138 A1139 E1143 N1144 E1145M1119-Y1141 HydrophobicContact CB-CD1 4.49Å; M1119-Y1141 HydrophobicContact CB-CE1 4.3Å; M1119-Y1141 HydrophobicContact CG-CD1 4.06Å; M1119-Y1141 HydrophobicContact CG-CE1 4.36Å; M1119-Y1141 HydrophobicContact CG-CG 4.21Å; N1137-Y1141 PolarHBondContact O-N 2.74Å; I1138-Y1141 WeakPolarHBondContact O-CB 3.26Å; I1138-Y1141 PolarHBondContact O-N 3.05Å; A1139-Y1141 VanDerWaalsContact C-N 3.32Å; A1139-Y1141 PolarHBondContact O-N 2.7Å; Y1141-E1143 VanDerWaalsContact C-N 3.35Å; Y1141-E1143 PolarHBondContact O-N 3.41Å; Y1141-N1144 PolarHBondContact O-N 3.03Å; Y1141-E1145 VanDerWaalsContact CE1-CD 3.45Å; Y1141-E1145 HydrophobicContact CE1-CG 4.08Å; Y1141-E1145 WeakPolarHBondContact CE1-OE1 3.36Å; Y1141-E1145 VanDerWaalsContact CZ-OE1 3.28Å; Y1141-E1145 PolarHBondContact O-N 3.14Å; Y1141-E1145 VanDerWaalsContact O-N 3.11Å; Y1141-E1145 PolarHBondContact OH-OE1 3.23Å
1142F86.4Confident85.1Confident11 Ų1156.7 Ų56.75%0.04827%0.269CS..Hα-helixtrans-70.8-28.2179.1-71.3-60.3000113.8I1138 A1139 E1145 K1146 N1147 L1150 A1151 Y1154I1138-F1142 HydrophobicContact CG2-CD2 3.81Å; I1138-F1142 HydrophobicContact CG2-CE2 3.57Å; I1138-F1142 VanDerWaalsContact O-CD2 3.26Å; I1138-F1142 WeakPolarHBondContact O-CD2 3.33Å; I1138-F1142 PolarHBondContact O-N 2.85Å; I1138-F1142 VanDerWaalsContact O-N 3.13Å; A1139-F1142 PolarHBondContact O-N 3.3Å; F1142-E1145 CarbonylContact O-C 3.52Å; F1142-E1145 PolarHBondContact O-N 3.07Å; F1142-K1146 PolarHBondContact O-N 3.05Å; F1142-N1147 PolarHBondContact O-N 2.93Å; F1142-L1150 HydrophobicContact CB-CB 4.17Å; F1142-L1150 HydrophobicContact CD1-CB 4.22Å; F1142-L1150 HydrophobicContact CD1-CD1 4.01Å; F1142-L1150 HydrophobicContact CD2-CB 4.15Å; F1142-L1150 HydrophobicContact CE1-CD1 3.81Å; F1142-L1150 HydrophobicContact CG-CB 3.93Å; F1142-L1150 HydrophobicContact CG-CD1 4.48Å; F1142-L1150 HydrophobicContact CZ-CD1 4.11Å; F1142-A1151 HydrophobicContact CB-CB 4.23Å; F1142-Y1154 AromaticContact CD2-CD2 3.66Å; F1142-Y1154 HydrophobicContact CD2-CD2 3.66Å; F1142-Y1154 AromaticContact CD2-CE2 3.88Å; F1142-Y1154 HydrophobicContact CD2-CE2 3.88Å; F1142-Y1154 AromaticContact CE2-CD2 3.75Å; F1142-Y1154 HydrophobicContact CE2-CD2 3.75Å; F1142-Y1154 AromaticContact CE2-CE2 3.47Å; F1142-Y1154 HydrophobicContact CE2-CE2 3.47Å; F1142-Y1154 VanDerWaalsContact CE2-CE2 3.47Å; F1142-Y1154 HydrophobicContact CZ-CE2 4.41Å
1143E86.1Confident85.5Confident46 Ų4656.6 Ų56.622%0.21527%0.265CS..Hα-helixtrans-60.8-44.9169.5179.9177.8-148.500110.8A1139 F1140 Y1141 E1145 K1146 W1148 A1151 Y1155 H1167A1139-E1143 WeakPolarHBondContact O-CB 3.48Å; A1139-E1143 PolarHBondContact O-N 3.01Å; F1140-E1143 WeakPolarHBondContact CD2-OE2 3.2Å; Y1141-E1143 VanDerWaalsContact C-N 3.35Å; Y1141-E1143 PolarHBondContact O-N 3.41Å; E1143-E1145 VanDerWaalsContact C-N 3.32Å; E1143-E1145 PolarHBondContact O-N 3Å; E1143-K1146 WeakPolarHBondContact O-CA 3.29Å; E1143-K1146 PolarHBondContact O-N 2.9Å; E1143-W1148 HydrophobicContact CG-CZ3 4.49Å; E1143-A1151 HydrophobicContact CB-CB 4.23Å; E1143-Y1155 PolarHBondContact OE2-OH 2.74Å; E1143-H1167 VanDerWaalsContact CD-NE2 3.29Å; E1143-H1167 IonicContact OE1-CD2 3.89Å; E1143-H1167 IonicContact OE1-CE1 2.76Å; E1143-H1167 PolarHBondContact OE1-CE1 2.92Å; E1143-H1167 IonicContact OE1-NE2 3.08Å; E1143-H1167 PolarHBondContact OE1-NE2 3.12Å
1144N84.9Confident85.9Confident105 Ų10555.7 Ų55.756%0.56125%0.252SS*.Hα-helixtrans-67.6-31.4176.8-71.5-49.6000113F1140 Y1141 K1146F1140-N1144 WeakPolarHBondContact CD1-ND2 3.45Å; F1140-N1144 WeakPolarHBondContact CE1-ND2 3.46Å; F1140-N1144 WeakPolarHBondContact CZ-ND2 3.43Å; F1140-N1144 PolarHBondContact O-N 3.35Å; F1140-N1144 VanDerWaalsContact O-N 3.1Å; F1140-N1144 PolarHBondContact O-ND2 2.95Å; Y1141-N1144 PolarHBondContact O-N 3.03Å; N1144-K1146 PolarHBondContact O-N 3.03Å
1145E85.4Confident86.5Confident108 Ų10855.2 Ų55.251%0.50525%0.25SC..THydrogen-bonded Turntrans-760.2170.7-71.3-163.5160.200113.6Y1141 F1142 E1143 N1147Y1141-E1145 VanDerWaalsContact CE1-CD 3.45Å; Y1141-E1145 HydrophobicContact CE1-CG 4.08Å; Y1141-E1145 WeakPolarHBondContact CE1-OE1 3.36Å; Y1141-E1145 VanDerWaalsContact CZ-OE1 3.28Å; Y1141-E1145 PolarHBondContact O-N 3.14Å; Y1141-E1145 VanDerWaalsContact O-N 3.11Å; Y1141-E1145 PolarHBondContact OH-OE1 3.23Å; F1142-E1145 CarbonylContact O-C 3.52Å; F1142-E1145 PolarHBondContact O-N 3.07Å; E1143-E1145 VanDerWaalsContact C-N 3.32Å; E1143-E1145 PolarHBondContact O-N 3Å; E1145-N1147 PolarHBondContact O-N 3.28Å
1146K83.5Confident86.6Confident158 Ų15855.3 Ų55.369%0.68725%0.252SS*.THydrogen-bonded Turntrans58.525.9-176.8-57.1-177.3178.4-1790114.1F1142 E1143 N1144 W1148F1142-K1146 PolarHBondContact O-N 3.05Å; E1143-K1146 WeakPolarHBondContact O-CA 3.29Å; E1143-K1146 PolarHBondContact O-N 2.9Å; N1144-K1146 PolarHBondContact O-N 3.03Å; K1146-W1148 PolarHBondContact O-N 2.99Å
1147N86.4Confident86.5Confident64 Ų6455.1 Ų55.134%0.34225%0.253SS..  trans-89.281.3172-167.4-27.9000109.6F1142 E1145 Y1149 L1150 A1151F1142-N1147 PolarHBondContact O-N 2.93Å; E1145-N1147 PolarHBondContact O-N 3.28Å; N1147-Y1149 PolarHBondContact O-N 3.46Å; N1147-L1150 HydrophobicContact CB-CB 4.49Å; N1147-L1150 WeakPolarHBondContact ND2-CD1 3.37Å; N1147-L1150 PolarHBondContact O-N 3.14Å; N1147-L1150 PolarHBondContact OD1-N 2.82Å; N1147-A1151 VanDerWaalsContact O-CB 3.3Å; N1147-A1151 WeakPolarHBondContact O-CB 3.28Å; N1147-A1151 PolarHBondContact O-N 2.87Å
1148W88Confident86.5Confident89 Ų8952.4 Ų52.434%0.33724%0.239SC..Hα-helixtrans-57.3-33.8-173.7-55.9116.2000113.8E1143 K1146 G1152 H1167 V1171E1143-W1148 HydrophobicContact CG-CZ3 4.49Å; K1146-W1148 PolarHBondContact O-N 2.99Å; W1148-G1152 PolarHBondContact O-N 2.75Å; W1148-H1167 HydrophobicContact CE3-CB 4.32Å; W1148-H1167 AromaticContact CE3-CD2 3.5Å; W1148-H1167 AromaticContact CZ3-CD2 3.64Å; W1148-H1167 AromaticContact CZ3-NE2 3.87Å; W1148-V1171 HydrophobicContact CB-CG2 3.97Å
1149Y88.3Confident86.5Confident95 Ų9558.4 Ų58.437%0.37327%0.265SS..Hα-helixtrans-70.2-50.5178.9178.9-99.5000112.4N1147 G1152 K1153 L1168 L1182N1147-Y1149 PolarHBondContact O-N 3.46Å; Y1149-G1152 PolarHBondContact O-N 2.89Å; Y1149-K1153 WeakPolarHBondContact O-CB 3.32Å; Y1149-K1153 PolarHBondContact O-N 2.88Å; Y1149-L1168 HydrophobicContact CD2-CD2 4.38Å; Y1149-L1182 HydrophobicContact CE2-CD2 4.17Å
1150L85.8Confident86.6Confident41 Ų4160.9 Ų60.922%0.21528%0.276CS..Hα-helixtrans-67.1-38.1177.1-72.2-179000111.6F1142 N1147 K1153 Y1154F1142-L1150 HydrophobicContact CB-CB 4.17Å; F1142-L1150 HydrophobicContact CD1-CB 4.22Å; F1142-L1150 HydrophobicContact CD1-CD1 4.01Å; F1142-L1150 HydrophobicContact CD2-CB 4.15Å; F1142-L1150 HydrophobicContact CE1-CD1 3.81Å; F1142-L1150 HydrophobicContact CG-CB 3.93Å; F1142-L1150 HydrophobicContact CG-CD1 4.48Å; F1142-L1150 HydrophobicContact CZ-CD1 4.11Å; N1147-L1150 HydrophobicContact CB-CB 4.49Å; N1147-L1150 WeakPolarHBondContact ND2-CD1 3.37Å; N1147-L1150 PolarHBondContact O-N 3.14Å; N1147-L1150 PolarHBondContact OD1-N 2.82Å; L1150-K1153 PolarHBondContact O-N 2.96Å; L1150-Y1154 HydrophobicContact CD2-CE2 4.43Å; L1150-Y1154 VanDerWaalsContact O-CD2 3.22Å; L1150-Y1154 WeakPolarHBondContact O-CD2 3.31Å; L1150-Y1154 PolarHBondContact O-N 2.84Å
1151A87.2Confident86.7Confident0 Ų058.1 Ų58.10%026%0.263CS..Hα-helixtrans-58-48.7172.100000110.8F1142 E1143 N1147 K1153 Y1154 Y1155F1142-A1151 HydrophobicContact CB-CB 4.23Å; E1143-A1151 HydrophobicContact CB-CB 4.23Å; N1147-A1151 VanDerWaalsContact O-CB 3.3Å; N1147-A1151 WeakPolarHBondContact O-CB 3.28Å; N1147-A1151 PolarHBondContact O-N 2.87Å; A1151-K1153 PolarHBondContact O-N 2.89Å; A1151-Y1154 PolarHBondContact O-N 2.95Å; A1151-Y1155 WeakPolarHBondContact O-CB 3.48Å; A1151-Y1155 WeakPolarHBondContact O-CD2 3.29Å; A1151-Y1155 PolarHBondContact O-N 2.83Å
1152G86.2Confident86.7Confident0 Ų060.2 Ų60.20%028%0.275CS..Hα-helixtrans-59.1-44.6175.800000113.2W1148 Y1149 Y1155 L1156W1148-G1152 PolarHBondContact O-N 2.75Å; Y1149-G1152 PolarHBondContact O-N 2.89Å; G1152-Y1155 PolarHBondContact O-N 3.28Å; G1152-L1156 PolarHBondContact O-N 2.95Å
1153K88.7Confident86.7Confident89 Ų8963.6 Ų63.639%0.38729%0.289SS..Hα-helixtrans-62.8-46.1178-176.8-179.3178.5-179.50112.9Y1149 L1150 A1151 L1156 L1157 L1182Y1149-K1153 WeakPolarHBondContact O-CB 3.32Å; Y1149-K1153 PolarHBondContact O-N 2.88Å; L1150-K1153 PolarHBondContact O-N 2.96Å; A1151-K1153 PolarHBondContact O-N 2.89Å; K1153-L1156 WeakPolarHBondContact O-CB 3.5Å; K1153-L1156 PolarHBondContact O-N 2.86Å; K1153-L1157 PolarHBondContact O-N 2.88Å; K1153-L1157 VanDerWaalsContact O-N 3.15Å; K1153-L1182 HydrophobicContact CB-CD2 4.33Å
1154Y88.5Confident86.9Confident45 Ų4561.4 Ų61.418%0.17628%0.279CS..Hα-helixtrans-75.3-26.4178.2-73.7-70.4000112.3Y1135 I1138 F1142 L1150 A1151 L1157 A1158Y1135-Y1154 HydrophobicContact CD1-CD1 4.07Å; I1138-Y1154 HydrophobicContact CB-CD1 4.41Å; I1138-Y1154 HydrophobicContact CB-CG 4.39Å; I1138-Y1154 HydrophobicContact CG2-CD1 3.76Å; I1138-Y1154 HydrophobicContact CG2-CD2 3.67Å; I1138-Y1154 HydrophobicContact CG2-CE1 3.95Å; I1138-Y1154 HydrophobicContact CG2-CE2 3.88Å; I1138-Y1154 HydrophobicContact CG2-CG 3.62Å; F1142-Y1154 AromaticContact CD2-CD2 3.66Å; F1142-Y1154 HydrophobicContact CD2-CD2 3.66Å; F1142-Y1154 AromaticContact CD2-CE2 3.88Å; F1142-Y1154 HydrophobicContact CD2-CE2 3.88Å; F1142-Y1154 AromaticContact CE2-CD2 3.75Å; F1142-Y1154 HydrophobicContact CE2-CD2 3.75Å; F1142-Y1154 AromaticContact CE2-CE2 3.47Å; F1142-Y1154 HydrophobicContact CE2-CE2 3.47Å; F1142-Y1154 VanDerWaalsContact CE2-CE2 3.47Å; F1142-Y1154 HydrophobicContact CZ-CE2 4.41Å; L1150-Y1154 HydrophobicContact CD2-CE2 4.43Å; L1150-Y1154 VanDerWaalsContact O-CD2 3.22Å; L1150-Y1154 WeakPolarHBondContact O-CD2 3.31Å; L1150-Y1154 PolarHBondContact O-N 2.84Å; A1151-Y1154 PolarHBondContact O-N 2.95Å; Y1154-L1157 HydrophobicContact CD1-CD1 3.91Å; Y1154-L1157 HydrophobicContact CE1-CD1 4.17Å; Y1154-L1157 PolarHBondContact O-N 2.84Å; Y1154-A1158 VanDerWaalsContact O-CB 3.3Å; Y1154-A1158 WeakPolarHBondContact O-CB 3.46Å; Y1154-A1158 PolarHBondContact O-N 2.8Å
1155Y91.1Very high87.1Confident1 Ų156.4 Ų56.40%0.00425%0.252CS..Hα-helixtrans-68-33.8168.4-82.4-51.4000112.9Q1136 A1139 E1143 A1151 G1152 A1158 K1159 Q1160 K1163Q1136-Y1155 HydrophobicContact CG-CE1 4.09Å; A1139-Y1155 HydrophobicContact CB-CD1 3.57Å; A1139-Y1155 HydrophobicContact CB-CD2 3.78Å; A1139-Y1155 HydrophobicContact CB-CE1 3.58Å; A1139-Y1155 HydrophobicContact CB-CE2 3.81Å; A1139-Y1155 HydrophobicContact CB-CG 3.64Å; E1143-Y1155 PolarHBondContact OE2-OH 2.74Å; A1151-Y1155 WeakPolarHBondContact O-CB 3.48Å; A1151-Y1155 WeakPolarHBondContact O-CD2 3.29Å; A1151-Y1155 PolarHBondContact O-N 2.83Å; G1152-Y1155 PolarHBondContact O-N 3.28Å; Y1155-A1158 CarbonylContact O-C 3.46Å; Y1155-A1158 PolarHBondContact O-N 2.69Å; Y1155-K1159 PolarHBondContact O-N 2.81Å; Y1155-Q1160 HydrophobicContact CD1-CB 3.98Å; Y1155-Q1160 VanDerWaalsContact CE1-OE1 3.26Å; Y1155-Q1160 PolarHBondContact O-N 2.91Å; Y1155-K1163 HydrophobicContact CD1-CB 4.19Å; Y1155-K1163 HydrophobicContact CD1-CD 4.24Å; Y1155-K1163 HydrophobicContact CD2-CB 4.04Å; Y1155-K1163 HydrophobicContact CE1-CB 4.48Å; Y1155-K1163 HydrophobicContact CE1-CD 3.79Å; Y1155-K1163 HydrophobicContact CE2-CB 4.32Å; Y1155-K1163 HydrophobicContact CE2-CD 4.29Å; Y1155-K1163 HydrophobicContact CG-CB 4Å
1156L87.5Confident87.2Confident21 Ų2156.2 Ų56.211%0.1125%0.25CC..Hα-helixtrans-61.7-49.5170171.962.3000110.8G1152 K1153 A1158 K1159 Y1161 A1164 L1182 V1186G1152-L1156 PolarHBondContact O-N 2.95Å; K1153-L1156 WeakPolarHBondContact O-CB 3.5Å; K1153-L1156 PolarHBondContact O-N 2.86Å; L1156-A1158 PolarHBondContact O-N 3.17Å; L1156-K1159 WeakPolarHBondContact O-CA 3.24Å; L1156-K1159 PolarHBondContact O-N 2.96Å; L1156-Y1161 HydrophobicContact CD1-CD1 4.3Å; L1156-Y1161 HydrophobicContact CD1-CE1 4.16Å; L1156-A1164 HydrophobicContact CB-CB 4.43Å; L1156-L1182 HydrophobicContact CD2-CD1 4.23Å; L1156-L1182 HydrophobicContact CD2-CG 4.41Å; L1156-V1186 HydrophobicContact CB-CG2 4.22Å; L1156-V1186 HydrophobicContact CD1-CB 4.2Å; L1156-V1186 HydrophobicContact CD1-CG1 4.2Å; L1156-V1186 HydrophobicContact CD1-CG2 3.73Å; L1156-V1186 HydrophobicContact CD2-CG2 3.99Å; L1156-V1186 HydrophobicContact CG-CG2 4.18Å
1157L83.1Confident87.4Confident63 Ų6349.6 Ų49.633%0.3322%0.221SC..Hα-helixtrans-62.3-31175.9-67.1173.7000112.7Y1135 K1153 Y1154 K1159Y1135-L1157 HydrophobicContact CD1-CB 3.9Å; Y1135-L1157 HydrophobicContact CD1-CD1 4.21Å; Y1135-L1157 HydrophobicContact CD2-CB 3.85Å; Y1135-L1157 VanDerWaalsContact CD2-O 3.31Å; Y1135-L1157 WeakPolarHBondContact CD2-O 3.48Å; Y1135-L1157 HydrophobicContact CE1-CB 4.13Å; Y1135-L1157 HydrophobicContact CE1-CD1 3.96Å; Y1135-L1157 HydrophobicContact CE2-CB 4.07Å; Y1135-L1157 HydrophobicContact CG-CB 3.76Å; K1153-L1157 PolarHBondContact O-N 2.88Å; K1153-L1157 VanDerWaalsContact O-N 3.15Å; Y1154-L1157 HydrophobicContact CD1-CD1 3.91Å; Y1154-L1157 HydrophobicContact CE1-CD1 4.17Å; Y1154-L1157 PolarHBondContact O-N 2.84Å; L1157-K1159 PolarHBondContact O-N 3.2Å
1158A85.3Confident87.5Confident6 Ų646.6 Ų46.65%0.0521%0.205CC..THydrogen-bonded Turntrans-76.42172.300000114Q1136 Y1154 Y1155 L1156 Q1160Q1136-A1158 HydrophobicContact CB-CB 4.13Å; Y1154-A1158 VanDerWaalsContact O-CB 3.3Å; Y1154-A1158 WeakPolarHBondContact O-CB 3.46Å; Y1154-A1158 PolarHBondContact O-N 2.8Å; Y1155-A1158 CarbonylContact O-C 3.46Å; Y1155-A1158 PolarHBondContact O-N 2.69Å; L1156-A1158 PolarHBondContact O-N 3.17Å; A1158-Q1160 PolarHBondContact O-N 3.11Å; A1158-Q1160 VanDerWaalsContact O-N 3.13Å
1159K84.3Confident87.4Confident128 Ų12843.8 Ų43.856%0.55720%0.197SC*.THydrogen-bonded Turntrans52.427.5-173.4-59-173.6177.8-170.60114.1L1132 Y1155 L1156 L1157 Y1161L1132-K1159 HydrophobicContact CD2-CB 3.89Å; L1132-K1159 HydrophobicContact CD2-CD 3.85Å; L1132-K1159 HydrophobicContact CD2-CG 3.6Å; Y1155-K1159 PolarHBondContact O-N 2.81Å; L1156-K1159 WeakPolarHBondContact O-CA 3.24Å; L1156-K1159 PolarHBondContact O-N 2.96Å; L1157-K1159 PolarHBondContact O-N 3.2Å; K1159-Y1161 VanDerWaalsContact C-N 3.34Å; K1159-Y1161 HydrophobicContact CB-CE2 4.01Å; K1159-Y1161 WeakPolarHBondContact O-CD2 3.47Å; K1159-Y1161 PolarHBondContact O-N 3.3Å
1160Q87.6Confident87.2Confident52 Ų5245.7 Ų45.724%0.24321%0.209CC..  trans-93.970.8172.2-70.7-165.9-1500109.7Q1136 Y1155 A1158 E1162 K1163 A1164Q1136-Q1160 VanDerWaalsContact OE1-NE2 3.11Å; Y1155-Q1160 HydrophobicContact CD1-CB 3.98Å; Y1155-Q1160 VanDerWaalsContact CE1-OE1 3.26Å; Y1155-Q1160 PolarHBondContact O-N 2.91Å; A1158-Q1160 PolarHBondContact O-N 3.11Å; A1158-Q1160 VanDerWaalsContact O-N 3.13Å; Q1160-E1162 VanDerWaalsContact C-N 3.31Å; Q1160-E1162 PolarHBondContact O-N 2.89Å; Q1160-K1163 HydrophobicContact CB-CB 4.46Å; Q1160-K1163 PolarHBondContact O-N 3.41Å; Q1160-A1164 WeakPolarHBondContact O-CB 3.33Å; Q1160-A1164 PolarHBondContact O-N 2.64Å
1161Y89.7Confident87.1Confident49 Ų4945.4 Ų45.419%0.19221%0.209CC..Hα-helixtrans-57.4-39.2-172.5-53.9-69.8000113.2L1156 K1159 A1164 I1165 V1186 E1189 A1190L1156-Y1161 HydrophobicContact CD1-CD1 4.3Å; L1156-Y1161 HydrophobicContact CD1-CE1 4.16Å; K1159-Y1161 VanDerWaalsContact C-N 3.34Å; K1159-Y1161 HydrophobicContact CB-CE2 4.01Å; K1159-Y1161 WeakPolarHBondContact O-CD2 3.47Å; K1159-Y1161 PolarHBondContact O-N 3.3Å; Y1161-A1164 PolarHBondContact O-N 3.22Å; Y1161-I1165 WeakPolarHBondContact O-CB 3.45Å; Y1161-I1165 WeakPolarHBondContact O-CG1 3.2Å; Y1161-I1165 PolarHBondContact O-N 3.11Å; Y1161-V1186 HydrophobicContact CD1-CG1 3.87Å; Y1161-V1186 HydrophobicContact CG-CG1 4.49Å; Y1161-E1189 HydrophobicContact CE1-CB 3.99Å; Y1161-A1190 HydrophobicContact CD1-CB 3.72Å; Y1161-A1190 HydrophobicContact CD2-CB 3.74Å; Y1161-A1190 HydrophobicContact CE1-CB 4.3Å; Y1161-A1190 HydrophobicContact CE2-CB 4.31Å; Y1161-A1190 HydrophobicContact CG-CB 3.42Å; Y1161-A1190 VanDerWaalsContact CG-CB 3.42Å
1162E87Confident86.7Confident94 Ų9450 Ų5044%0.43924%0.239SC..Hα-helixtrans-64.5-43.2179.3-173.1-179.4174.200112.7Q1160 K1166 L1195Q1160-E1162 VanDerWaalsContact C-N 3.31Å; Q1160-E1162 PolarHBondContact O-N 2.89Å; E1162-K1166 WeakPolarHBondContact O-CG 3.18Å; E1162-K1166 PolarHBondContact O-N 2.83Å; E1162-K1166 WeakPolarHBondContact OE1-CE 3.2Å; E1162-K1166 IonicContact OE1-NZ 3.28Å; E1162-K1166 PolarHBondContact OE1-NZ 2.96Å; E1162-L1195 HydrophobicContact CB-CD1 4.48Å; E1162-L1195 HydrophobicContact CB-CD2 3.9Å; E1162-L1195 HydrophobicContact CG-CD2 3.92Å
1163K87Confident86.2Confident82 Ų8253.6 Ų53.636%0.35725%0.253SS..Hα-helixtrans-70.9-42.3177.1-71.1-167.6-178.4-178.40111.2Y1155 Q1160 I1165 K1166 H1167Y1155-K1163 HydrophobicContact CD1-CB 4.19Å; Y1155-K1163 HydrophobicContact CD1-CD 4.24Å; Y1155-K1163 HydrophobicContact CD2-CB 4.04Å; Y1155-K1163 HydrophobicContact CE1-CB 4.48Å; Y1155-K1163 HydrophobicContact CE1-CD 3.79Å; Y1155-K1163 HydrophobicContact CE2-CB 4.32Å; Y1155-K1163 HydrophobicContact CE2-CD 4.29Å; Y1155-K1163 HydrophobicContact CG-CB 4Å; Q1160-K1163 HydrophobicContact CB-CB 4.46Å; Q1160-K1163 PolarHBondContact O-N 3.41Å; K1163-I1165 VanDerWaalsContact C-N 3.3Å; K1163-I1165 PolarHBondContact O-N 3.48Å; K1163-K1166 PolarHBondContact O-N 2.93Å; K1163-H1167 PolarHBondContact O-N 3.09Å; K1163-H1167 PolarHBondContact O-ND1 3.4Å
1164A90.2Very high85.6Confident0 Ų055.9 Ų55.90%027%0.265CS..Hα-helixtrans-54-49.9175.400000110.7L1156 Q1160 Y1161 H1167 L1168 V1186L1156-A1164 HydrophobicContact CB-CB 4.43Å; Q1160-A1164 WeakPolarHBondContact O-CB 3.33Å; Q1160-A1164 PolarHBondContact O-N 2.64Å; Y1161-A1164 PolarHBondContact O-N 3.22Å; A1164-H1167 PolarHBondContact O-N 3.32Å; A1164-L1168 VanDerWaalsContact O-CB 3.28Å; A1164-L1168 WeakPolarHBondContact O-CB 3.42Å; A1164-L1168 WeakPolarHBondContact O-CD1 3.37Å; A1164-L1168 WeakPolarHBondContact O-CG 3.48Å; A1164-L1168 PolarHBondContact O-N 3.17Å; A1164-V1186 HydrophobicContact CB-CG1 3.96Å; A1164-V1186 HydrophobicContact CB-CG2 4.37Å
1165I87.8Confident84.5Confident0 Ų061.9 Ų61.90%029%0.294CS..Hα-helixtrans-63.4-46.9178.3-71.6172.5000111.7Y1161 K1163 H1167 L1168 L1169 V1186 V1187 L1195 L1198 V1199Y1161-I1165 WeakPolarHBondContact O-CB 3.45Å; Y1161-I1165 WeakPolarHBondContact O-CG1 3.2Å; Y1161-I1165 PolarHBondContact O-N 3.11Å; K1163-I1165 VanDerWaalsContact C-N 3.3Å; K1163-I1165 PolarHBondContact O-N 3.48Å; I1165-H1167 VanDerWaalsContact C-N 3.3Å; I1165-H1167 PolarHBondContact O-N 2.86Å; I1165-L1168 PolarHBondContact O-N 3.36Å; I1165-L1169 HydrophobicContact CG2-CD1 3.53Å; I1165-L1169 HydrophobicContact CG2-CG 3.97Å; I1165-L1169 WeakPolarHBondContact O-CB 3.42Å; I1165-L1169 VanDerWaalsContact O-CG 3.25Å; I1165-L1169 WeakPolarHBondContact O-CG 3.48Å; I1165-L1169 PolarHBondContact O-N 3.13Å; I1165-V1186 HydrophobicContact CD1-CG1 4.07Å; I1165-V1186 HydrophobicContact CG1-CB 4.14Å; I1165-V1186 HydrophobicContact CG1-CG1 3.69Å; I1165-V1187 HydrophobicContact CD1-CG2 3.42Å; I1165-V1187 VanDerWaalsContact CD1-CG2 3.42Å; I1165-V1187 HydrophobicContact CG1-CG2 4.39Å; I1165-L1195 HydrophobicContact CD1-CB 3.81Å; I1165-L1195 HydrophobicContact CD1-CD1 4.16Å; I1165-L1195 HydrophobicContact CD1-CD2 4.27Å; I1165-L1195 HydrophobicContact CD1-CG 4.3Å; I1165-L1198 HydrophobicContact CG2-CD2 3.75Å; I1165-V1199 HydrophobicContact CD1-CG2 4.29Å; I1165-V1199 HydrophobicContact CG2-CG2 3.94Å
1166K87.3Confident83.6Confident104 Ų10468.1 Ų68.145%0.45233%0.328SS..Hα-helixtrans-57.4-43.7179.4-79.2178.5-173.7166.50112.2E1162 K1163 H1170E1162-K1166 WeakPolarHBondContact O-CG 3.18Å; E1162-K1166 PolarHBondContact O-N 2.83Å; E1162-K1166 WeakPolarHBondContact OE1-CE 3.2Å; E1162-K1166 IonicContact OE1-NZ 3.28Å; E1162-K1166 PolarHBondContact OE1-NZ 2.96Å; K1163-K1166 PolarHBondContact O-N 2.93Å; K1166-H1170 WeakPolarHBondContact O-CB 3.26Å; K1166-H1170 PolarHBondContact O-N 3.32Å; K1166-H1170 VanDerWaalsContact O-N 3.15Å
1167H89.3Confident83.2Confident18 Ų1867.4 Ų67.48%0.08333%0.325CS..Hα-helixtrans-73.9-37.1-179-67.947.8000111.9E1143 W1148 K1163 A1164 I1165 H1170E1143-H1167 VanDerWaalsContact CD-NE2 3.29Å; E1143-H1167 IonicContact OE1-CD2 3.89Å; E1143-H1167 IonicContact OE1-CE1 2.76Å; E1143-H1167 PolarHBondContact OE1-CE1 2.92Å; E1143-H1167 IonicContact OE1-NE2 3.08Å; E1143-H1167 PolarHBondContact OE1-NE2 3.12Å; W1148-H1167 HydrophobicContact CE3-CB 4.32Å; W1148-H1167 AromaticContact CE3-CD2 3.5Å; W1148-H1167 AromaticContact CZ3-CD2 3.64Å; W1148-H1167 AromaticContact CZ3-NE2 3.87Å; K1163-H1167 PolarHBondContact O-N 3.09Å; K1163-H1167 PolarHBondContact O-ND1 3.4Å; A1164-H1167 PolarHBondContact O-N 3.32Å; I1165-H1167 VanDerWaalsContact C-N 3.3Å; I1165-H1167 PolarHBondContact O-N 2.86Å; H1167-H1170 WeakPolarHBondContact O-CB 3.48Å; H1167-H1170 PolarHBondContact O-N 3.15Å
1168L87.9Confident83.1Confident2 Ų268.3 Ų68.31%0.0133%0.334CS..Hα-helixtrans-69-38.7176.5-70168.4000112.4Y1149 A1164 I1165 H1170 V1171 A1179 L1182 A1183 V1186Y1149-L1168 HydrophobicContact CD2-CD2 4.38Å; A1164-L1168 VanDerWaalsContact O-CB 3.28Å; A1164-L1168 WeakPolarHBondContact O-CB 3.42Å; A1164-L1168 WeakPolarHBondContact O-CD1 3.37Å; A1164-L1168 WeakPolarHBondContact O-CG 3.48Å; A1164-L1168 PolarHBondContact O-N 3.17Å; I1165-L1168 PolarHBondContact O-N 3.36Å; L1168-H1170 PolarHBondContact O-N 3.27Å; L1168-V1171 WeakPolarHBondContact O-CB 3.42Å; L1168-V1171 WeakPolarHBondContact O-CG2 3.46Å; L1168-V1171 PolarHBondContact O-N 3.49Å; L1168-A1179 HydrophobicContact CD2-CB 4.26Å; L1168-L1182 HydrophobicContact CD1-CB 4.28Å; L1168-L1182 HydrophobicContact CD1-CD2 4.13Å; L1168-L1182 HydrophobicContact CD1-CG 4.24Å; L1168-L1182 HydrophobicContact CD2-CB 4.46Å; L1168-L1182 HydrophobicContact CD2-CD2 3.91Å; L1168-A1183 HydrophobicContact CB-CB 4.12Å; L1168-A1183 HydrophobicContact CD1-CB 4.27Å; L1168-V1186 HydrophobicContact CD1-CG2 3.8Å
1169L85.4Confident83.1Confident30 Ų3068.1 Ų68.116%0.15733%0.333CS..Hα-helixtrans-71.9-18.7173.8-66.7180000112.9I1165 V1171 L1198 Y1202I1165-L1169 HydrophobicContact CG2-CD1 3.53Å; I1165-L1169 HydrophobicContact CG2-CG 3.97Å; I1165-L1169 WeakPolarHBondContact O-CB 3.42Å; I1165-L1169 VanDerWaalsContact O-CG 3.25Å; I1165-L1169 WeakPolarHBondContact O-CG 3.48Å; I1165-L1169 PolarHBondContact O-N 3.13Å; L1169-V1171 PolarHBondContact O-N 3.29Å; L1169-L1198 HydrophobicContact CD1-CD2 3.86Å; L1169-Y1202 HydrophobicContact CD1-CG 4.42Å; L1169-Y1202 HydrophobicContact CD2-CD1 3.57Å; L1169-Y1202 HydrophobicContact CD2-CD2 4.27Å; L1169-Y1202 HydrophobicContact CD2-CE1 3.75Å; L1169-Y1202 HydrophobicContact CD2-CE2 4.45Å; L1169-Y1202 HydrophobicContact CD2-CG 3.85Å
1170H84.9Confident83.2Confident134 Ų13462.4 Ų62.462%0.6231%0.308SS*.THydrogen-bonded Turntrans-75.9-14.2173.9-127.8-58.5000113.1K1166 H1167 L1168K1166-H1170 WeakPolarHBondContact O-CB 3.26Å; K1166-H1170 PolarHBondContact O-N 3.32Å; K1166-H1170 VanDerWaalsContact O-N 3.15Å; H1167-H1170 WeakPolarHBondContact O-CB 3.48Å; H1167-H1170 PolarHBondContact O-N 3.15Å; L1168-H1170 PolarHBondContact O-N 3.27Å
1171V83.5Confident83.1Confident35 Ų3562.4 Ų62.421%0.21231%0.31CS..SBendtrans-70.3125.5174.1-178.10000108.3W1148 L1168 L1169 Y1173 A1179W1148-V1171 HydrophobicContact CB-CG2 3.97Å; L1168-V1171 WeakPolarHBondContact O-CB 3.42Å; L1168-V1171 WeakPolarHBondContact O-CG2 3.46Å; L1168-V1171 PolarHBondContact O-N 3.49Å; L1169-V1171 PolarHBondContact O-N 3.29Å; V1171-Y1173 PolarHBondContact O-N 3.09Å; V1171-A1179 HydrophobicContact CB-CB 3.78Å; V1171-A1179 HydrophobicContact CG1-CB 3.92Å; V1171-A1179 HydrophobicContact CG2-CB 3.91Å
1172P77.8Confident83Confident98 Ų9861.3 Ų61.364%0.63631%0.307SS*.PPolyproline II helixtrans-57134.4-176.818.3-29.2000112.1Q1174P1172-Q1174 PolarHBondContact O-N 3.3Å
1173Y76.2Confident83Confident75 Ų7556.9 Ų56.929%0.29429%0.286SS..PPolyproline II helixtrans-63.5131.8-178.3178-115.1000111.6V1171 I1180 K1212 Y1216V1171-Y1173 PolarHBondContact O-N 3.09Å; Y1173-I1180 HydrophobicContact CD2-CD1 3.43Å; Y1173-I1180 VanDerWaalsContact CD2-CD1 3.43Å; Y1173-I1180 HydrophobicContact CE2-CD1 3.67Å; Y1173-K1212 HydrophobicContact CE2-CG 4.23Å; Y1173-Y1216 HydrophobicContact CE2-CE2 4.14Å
1174Q75.9Confident83.1Confident137 Ų13753.1 Ų53.164%0.6427%0.27SS*.  trans-134.2148168.9-65-179.2-6.300107.1P1172 N1176 S1177P1172-Q1174 PolarHBondContact O-N 3.3Å; Q1174-N1176 PolarHBondContact O-N 3.15Å; Q1174-S1177 WeakPolarHBondContact O-CB 3.07Å; Q1174-S1177 PolarHBondContact O-N 2.95Å; Q1174-S1177 VanDerWaalsContact O-N 3.08Å
1175E66.1Low82.8Confident170 Ų17058.6 Ų58.679%0.79430%0.296SS*.THydrogen-bonded Turntrans-55.5122.5171-74-175.9155.800108.9
1176N71.2Confident82.8Confident133 Ų13358.6 Ų58.671%0.71130%0.296SS*.THydrogen-bonded Turntrans6842.8-171.8-54-39.2000116.1Q1174 P1178 Y1216Q1174-N1176 PolarHBondContact O-N 3.15Å; N1176-P1178 WeakPolarHBondContact O-CD 3.41Å; N1176-Y1216 WeakPolarHBondContact CA-OH 3.38Å; N1176-Y1216 PolarHBondContact N-OH 2.76Å
1177S79.2Confident82.8Confident6 Ų653.6 Ų53.64%0.04227%0.274CS..  trans-65.1119.2175.8177.80000113.2Q1174 A1179 I1180 D1181Q1174-S1177 WeakPolarHBondContact O-CB 3.07Å; Q1174-S1177 PolarHBondContact O-N 2.95Å; Q1174-S1177 VanDerWaalsContact O-N 3.08Å; S1177-A1179 PolarHBondContact O-N 2.81Å; S1177-A1179 PolarHBondContact OG-N 2.91Å; S1177-I1180 PolarHBondContact O-N 3.35Å; S1177-D1181 PolarHBondContact O-N 3.16Å
1178P82.1Confident82.4Confident81 Ų8154.1 Ų54.153%0.52628%0.284SS..Hα-helixtrans-65.5-18.2175.326.6-33.7000112.7N1176 L1182N1176-P1178 WeakPolarHBondContact O-CD 3.41Å; P1178-L1182 WeakPolarHBondContact O-CB 3.24Å; P1178-L1182 PolarHBondContact O-N 3.29Å; P1178-L1182 VanDerWaalsContact O-N 3.09Å
1179A85.7Confident82.2Confident2 Ų260.2 Ų60.22%0.01731%0.313CS..Hα-helixtrans-71.1-33.8173.400000111.9L1168 V1171 S1177 A1183L1168-A1179 HydrophobicContact CD2-CB 4.26Å; V1171-A1179 HydrophobicContact CB-CB 3.78Å; V1171-A1179 HydrophobicContact CG1-CB 3.92Å; V1171-A1179 HydrophobicContact CG2-CB 3.91Å; S1177-A1179 PolarHBondContact O-N 2.81Å; S1177-A1179 PolarHBondContact OG-N 2.91Å; A1179-A1183 WeakPolarHBondContact O-CB 3.5Å; A1179-A1183 PolarHBondContact O-N 3.12Å
1180I86.2Confident82.1Confident8 Ų859.9 Ų59.94%0.04131%0.314CS..Hα-helixtrans-71.4-45.4174.9-68.4179.3000110.2Y1173 S1177 L1182 A1183 L1184 Y1202 Y1216Y1173-I1180 HydrophobicContact CD2-CD1 3.43Å; Y1173-I1180 VanDerWaalsContact CD2-CD1 3.43Å; Y1173-I1180 HydrophobicContact CE2-CD1 3.67Å; S1177-I1180 PolarHBondContact O-N 3.35Å; I1180-L1182 VanDerWaalsContact C-N 3.29Å; I1180-L1182 PolarHBondContact O-N 3.16Å; I1180-A1183 CarbonylContact O-C 3.5Å; I1180-A1183 WeakPolarHBondContact O-CA 3.29Å; I1180-A1183 WeakPolarHBondContact O-CB 3.34Å; I1180-A1183 PolarHBondContact O-N 3.43Å; I1180-L1184 HydrophobicContact CG2-CD1 4.45Å; I1180-L1184 HydrophobicContact CG2-CG 4.37Å; I1180-L1184 WeakPolarHBondContact O-CG 3.4Å; I1180-L1184 PolarHBondContact O-N 3.23Å; I1180-Y1202 HydrophobicContact CD1-CE1 4.21Å; I1180-Y1216 HydrophobicContact CB-CE1 4.38Å; I1180-Y1216 HydrophobicContact CG2-CD1 3.6Å; I1180-Y1216 HydrophobicContact CG2-CE1 3.73Å; I1180-Y1216 HydrophobicContact CG2-CG 4.23Å
1181D85.1Confident81.8Confident53 Ų5356.5 Ų56.528%0.28332%0.315SS..Hα-helixtrans-58.5-43176.8-72.9-35.5000111.5S1177 A1183 L1184 E1185 R1219S1177-D1181 PolarHBondContact O-N 3.16Å; D1181-A1183 VanDerWaalsContact C-N 3.35Å; D1181-A1183 PolarHBondContact O-N 3.48Å; D1181-L1184 WeakPolarHBondContact O-CB 3.34Å; D1181-L1184 PolarHBondContact O-N 3.46Å; D1181-E1185 PolarHBondContact O-N 3.38Å; D1181-E1185 VanDerWaalsContact O-N 3.1Å; D1181-R1219 IonicContact OD1-CZ 3.83Å; D1181-R1219 IonicContact OD1-NH1 2.69Å
1182L86.6Confident81.8Confident25 Ų2557.9 Ų57.913%0.13132%0.322CS..Hα-helixtrans-65.5-37.4174.5-16072.7000111.7Y1149 K1153 L1156 L1168 P1178 I1180 L1184 E1185 V1186Y1149-L1182 HydrophobicContact CE2-CD2 4.17Å; K1153-L1182 HydrophobicContact CB-CD2 4.33Å; L1156-L1182 HydrophobicContact CD2-CD1 4.23Å; L1156-L1182 HydrophobicContact CD2-CG 4.41Å; L1168-L1182 HydrophobicContact CD1-CB 4.28Å; L1168-L1182 HydrophobicContact CD1-CD2 4.13Å; L1168-L1182 HydrophobicContact CD1-CG 4.24Å; L1168-L1182 HydrophobicContact CD2-CB 4.46Å; L1168-L1182 HydrophobicContact CD2-CD2 3.91Å; P1178-L1182 WeakPolarHBondContact O-CB 3.24Å; P1178-L1182 PolarHBondContact O-N 3.29Å; P1178-L1182 VanDerWaalsContact O-N 3.09Å; I1180-L1182 VanDerWaalsContact C-N 3.29Å; I1180-L1182 PolarHBondContact O-N 3.16Å; L1182-L1184 VanDerWaalsContact C-N 3.33Å; L1182-L1184 PolarHBondContact O-N 2.85Å; L1182-E1185 PolarHBondContact O-N 2.66Å; L1182-V1186 WeakPolarHBondContact O-CG2 3.46Å; L1182-V1186 PolarHBondContact O-N 3.31Å
1183A88.2Confident82Confident1 Ų157.7 Ų57.71%0.00832%0.323CS..Hα-helixtrans-64.7-35.6175.100000112.5L1168 A1179 I1180 D1181 V1186 V1187L1168-A1183 HydrophobicContact CB-CB 4.12Å; L1168-A1183 HydrophobicContact CD1-CB 4.27Å; A1179-A1183 WeakPolarHBondContact O-CB 3.5Å; A1179-A1183 PolarHBondContact O-N 3.12Å; I1180-A1183 CarbonylContact O-C 3.5Å; I1180-A1183 WeakPolarHBondContact O-CA 3.29Å; I1180-A1183 WeakPolarHBondContact O-CB 3.34Å; I1180-A1183 PolarHBondContact O-N 3.43Å; D1181-A1183 VanDerWaalsContact C-N 3.35Å; D1181-A1183 PolarHBondContact O-N 3.48Å; A1183-V1186 PolarHBondContact O-N 3.22Å; A1183-V1187 WeakPolarHBondContact O-CG2 3.32Å; A1183-V1187 PolarHBondContact O-N 3.04Å
1184L88.6Confident82.5Confident3 Ų363 Ų632%0.01634%0.342CS..Hα-helixtrans-65.1-43.6173.6-64.9-179.9000111.3I1180 D1181 L1182 V1186 V1187 G1188 V1199 L1203 Y1216 R1219 L1220 V1223I1180-L1184 HydrophobicContact CG2-CD1 4.45Å; I1180-L1184 HydrophobicContact CG2-CG 4.37Å; I1180-L1184 WeakPolarHBondContact O-CG 3.4Å; I1180-L1184 PolarHBondContact O-N 3.23Å; D1181-L1184 WeakPolarHBondContact O-CB 3.34Å; D1181-L1184 PolarHBondContact O-N 3.46Å; L1182-L1184 VanDerWaalsContact C-N 3.33Å; L1182-L1184 PolarHBondContact O-N 2.85Å; L1184-V1186 VanDerWaalsContact C-N 3.35Å; L1184-V1187 PolarHBondContact O-N 3.23Å; L1184-G1188 PolarHBondContact O-N 3.41Å; L1184-V1199 HydrophobicContact CD2-CG1 4.06Å; L1184-L1203 HydrophobicContact CD2-CD1 4.5Å; L1184-Y1216 HydrophobicContact CD1-CD1 4.27Å; L1184-R1219 HydrophobicContact CD1-CB 4.1Å; L1184-R1219 HydrophobicContact CD1-CG 4.29Å; L1184-L1220 HydrophobicContact CD2-CB 3.72Å; L1184-L1220 HydrophobicContact CD2-CD1 3.66Å; L1184-L1220 HydrophobicContact CD2-CG 4.18Å; L1184-V1223 WeakPolarHBondContact O-CG1 3.46Å
1185E84.6Confident83Confident115 Ų11557.1 Ų57.154%0.53732%0.315SS..Hα-helixtrans-60.5-42.6172.3-87.8-177164.200112.1D1181 L1182 V1187 G1188 E1189D1181-E1185 PolarHBondContact O-N 3.38Å; D1181-E1185 VanDerWaalsContact O-N 3.1Å; L1182-E1185 PolarHBondContact O-N 2.66Å; E1185-V1187 VanDerWaalsContact C-N 3.31Å; E1185-V1187 PolarHBondContact O-N 2.96Å; E1185-G1188 WeakPolarHBondContact O-CA 3.49Å; E1185-G1188 PolarHBondContact O-N 3.36Å; E1185-G1188 VanDerWaalsContact O-N 3.1Å; E1185-E1189 PolarHBondContact O-N 3.11Å
1186V87Confident83.9Confident0 Ų049.7 Ų49.70%028%0.281CS..Hα-helixtrans-58.8-43.6177.7-179.60000110.8L1156 Y1161 A1164 I1165 L1168 L1182 A1183 L1184 E1189 A1190L1156-V1186 HydrophobicContact CB-CG2 4.22Å; L1156-V1186 HydrophobicContact CD1-CB 4.2Å; L1156-V1186 HydrophobicContact CD1-CG1 4.2Å; L1156-V1186 HydrophobicContact CD1-CG2 3.73Å; L1156-V1186 HydrophobicContact CD2-CG2 3.99Å; L1156-V1186 HydrophobicContact CG-CG2 4.18Å; Y1161-V1186 HydrophobicContact CD1-CG1 3.87Å; Y1161-V1186 HydrophobicContact CG-CG1 4.49Å; A1164-V1186 HydrophobicContact CB-CG1 3.96Å; A1164-V1186 HydrophobicContact CB-CG2 4.37Å; I1165-V1186 HydrophobicContact CD1-CG1 4.07Å; I1165-V1186 HydrophobicContact CG1-CB 4.14Å; I1165-V1186 HydrophobicContact CG1-CG1 3.69Å; L1168-V1186 HydrophobicContact CD1-CG2 3.8Å; L1182-V1186 WeakPolarHBondContact O-CG2 3.46Å; L1182-V1186 PolarHBondContact O-N 3.31Å; A1183-V1186 PolarHBondContact O-N 3.22Å; L1184-V1186 VanDerWaalsContact C-N 3.35Å; V1186-E1189 PolarHBondContact O-N 3.19Å; V1186-A1190 WeakPolarHBondContact O-CB 3.25Å; V1186-A1190 PolarHBondContact O-N 3.42Å
1187V86.8Confident84.6Confident0 Ų049.2 Ų49.20%028%0.275CS..Hα-helixtrans-65-40.7175.81730000111.5I1165 A1183 L1184 E1185 A1190 G1191 T1196 V1199 L1220 L1224I1165-V1187 HydrophobicContact CD1-CG2 3.42Å; I1165-V1187 VanDerWaalsContact CD1-CG2 3.42Å; I1165-V1187 HydrophobicContact CG1-CG2 4.39Å; A1183-V1187 WeakPolarHBondContact O-CG2 3.32Å; A1183-V1187 PolarHBondContact O-N 3.04Å; L1184-V1187 PolarHBondContact O-N 3.23Å; E1185-V1187 VanDerWaalsContact C-N 3.31Å; E1185-V1187 PolarHBondContact O-N 2.96Å; V1187-A1190 PolarHBondContact O-N 3.21Å; V1187-G1191 PolarHBondContact O-N 3.29Å; V1187-G1191 VanDerWaalsContact O-N 3.15Å; V1187-T1196 HydrophobicContact CG1-CG2 4.38Å; V1187-T1196 VanDerWaalsContact CG1-OG1 3.3Å; V1187-T1196 WeakPolarHBondContact CG1-OG1 3.45Å; V1187-V1199 HydrophobicContact CG2-CB 4.16Å; V1187-V1199 HydrophobicContact CG2-CG2 3.55Å; V1187-L1220 HydrophobicContact CB-CD1 4.09Å; V1187-L1220 HydrophobicContact CG1-CD1 3.76Å; V1187-L1224 HydrophobicContact CG1-CD1 4.28Å; V1187-L1224 HydrophobicContact CG1-CD2 3.91Å; V1187-L1224 HydrophobicContact CG1-CG 4.31Å
1188G82.5Confident85Confident28 Ų2852.6 Ų52.629%0.28929%0.292SS..Hα-helixtrans-58.1-45.5175.200000114L1184 E1185 V1223L1184-G1188 PolarHBondContact O-N 3.41Å; E1185-G1188 WeakPolarHBondContact O-CA 3.49Å; E1185-G1188 PolarHBondContact O-N 3.36Å; E1185-G1188 VanDerWaalsContact O-N 3.1Å; G1188-V1223 VanDerWaalsContact CA-CG1 3.44Å
1189E82.1Confident85.2Confident130 Ų13048.9 Ų48.961%0.60727%0.268SS*.Hα-helixtrans-74.1-33.9177.3-73.9-160.7167.800113.1Y1161 E1185 V1186Y1161-E1189 HydrophobicContact CE1-CB 3.99Å; E1185-E1189 PolarHBondContact O-N 3.11Å; V1186-E1189 PolarHBondContact O-N 3.19Å
1190A83.7Confident85.2Confident24 Ų2449.9 Ų49.920%0.19827%0.273CS..Hα-helixtrans-68.6-37.9-17800000112.8Y1161 V1186 V1187 D1192 L1195Y1161-A1190 HydrophobicContact CD1-CB 3.72Å; Y1161-A1190 HydrophobicContact CD2-CB 3.74Å; Y1161-A1190 HydrophobicContact CE1-CB 4.3Å; Y1161-A1190 HydrophobicContact CE2-CB 4.31Å; Y1161-A1190 HydrophobicContact CG-CB 3.42Å; Y1161-A1190 VanDerWaalsContact CG-CB 3.42Å; V1186-A1190 WeakPolarHBondContact O-CB 3.25Å; V1186-A1190 PolarHBondContact O-N 3.42Å; V1187-A1190 PolarHBondContact O-N 3.21Å; A1190-D1192 HydrophobicContact CB-CB 4.41Å; A1190-D1192 PolarHBondContact O-N 2.98Å; A1190-D1192 VanDerWaalsContact O-N 3.11Å; A1190-L1195 HydrophobicContact CB-CD1 4.28Å
1191G78.2Confident85.1Confident62 Ų6251.1 Ų51.164%0.63928%0.281SS*.  trans61.115.1-174.200000114.5V1187V1187-G1191 PolarHBondContact O-N 3.29Å; V1187-G1191 VanDerWaalsContact O-N 3.15Å
1192D83.4Confident85.2Confident65 Ų6549.6 Ų49.635%0.34827%0.271SS..  trans-90.1122.2-176.7-175.5-14.8000111A1190 R1194 L1195 T1196A1190-D1192 HydrophobicContact CB-CB 4.41Å; A1190-D1192 PolarHBondContact O-N 2.98Å; A1190-D1192 VanDerWaalsContact O-N 3.11Å; D1192-R1194 VanDerWaalsContact C-N 3.34Å; D1192-R1194 PolarHBondContact O-N 3.13Å; D1192-R1194 WeakPolarHBondContact OD1-CB 3.14Å; D1192-R1194 PolarHBondContact OD1-N 3.2Å; D1192-L1195 HydrophobicContact CB-CB 4.18Å; D1192-L1195 HydrophobicContact CB-CD1 4Å; D1192-L1195 HydrophobicContact CB-CG 4.1Å; D1192-L1195 PolarHBondContact O-N 2.94Å; D1192-T1196 WeakPolarHBondContact O-CB 3.28Å; D1192-T1196 PolarHBondContact O-N 3.37Å; D1192-T1196 PolarHBondContact O-OG1 2.91Å
1193S82.3Confident85.1Confident94 Ų9448.7 Ų48.766%0.65727%0.266SS*.Hα-helixtrans-64.9-33-18063.60000113T1196 H1197S1193-T1196 WeakPolarHBondContact O-CB 3.42Å; S1193-H1197 WeakPolarHBondContact O-CB 3.39Å; S1193-H1197 PolarHBondContact O-N 3.23Å
1194R86.2Confident84.8Confident185 Ų18553.4 Ų53.470%0.69829%0.289SS*.Hα-helixtrans-67.4-45.8177-89.9178.151.591.52.9111.6D1192 T1196 H1197 L1198D1192-R1194 VanDerWaalsContact C-N 3.34Å; D1192-R1194 PolarHBondContact O-N 3.13Å; D1192-R1194 WeakPolarHBondContact OD1-CB 3.14Å; D1192-R1194 PolarHBondContact OD1-N 3.2Å; R1194-T1196 VanDerWaalsContact C-N 3.33Å; R1194-H1197 PolarHBondContact O-N 3.02Å; R1194-L1198 PolarHBondContact O-N 3.38Å
1195L86.3Confident84.5Confident14 Ų1453.7 Ų53.77%0.07329%0.293CS..Hα-helixtrans-67.2-38.7178.5-66179.4000111.1E1162 I1165 A1190 D1192 H1197 L1198 V1199E1162-L1195 HydrophobicContact CB-CD1 4.48Å; E1162-L1195 HydrophobicContact CB-CD2 3.9Å; E1162-L1195 HydrophobicContact CG-CD2 3.92Å; I1165-L1195 HydrophobicContact CD1-CB 3.81Å; I1165-L1195 HydrophobicContact CD1-CD1 4.16Å; I1165-L1195 HydrophobicContact CD1-CD2 4.27Å; I1165-L1195 HydrophobicContact CD1-CG 4.3Å; A1190-L1195 HydrophobicContact CB-CD1 4.28Å; D1192-L1195 HydrophobicContact CB-CB 4.18Å; D1192-L1195 HydrophobicContact CB-CD1 4Å; D1192-L1195 HydrophobicContact CB-CG 4.1Å; D1192-L1195 PolarHBondContact O-N 2.94Å; L1195-H1197 VanDerWaalsContact C-N 3.33Å; L1195-H1197 PolarHBondContact O-N 3.32Å; L1195-L1198 WeakPolarHBondContact O-CB 3.27Å; L1195-L1198 PolarHBondContact O-N 2.85Å; L1195-V1199 PolarHBondContact O-N 3.42Å
1196T86.4Confident84.3Confident14 Ų1454.7 Ų54.79%0.08630%0.297CS..Hα-helixtrans-55.9-49.7170.3-580000110.8V1187 D1192 S1193 R1194 L1198 V1199 I1200 L1224V1187-T1196 HydrophobicContact CG1-CG2 4.38Å; V1187-T1196 VanDerWaalsContact CG1-OG1 3.3Å; V1187-T1196 WeakPolarHBondContact CG1-OG1 3.45Å; D1192-T1196 WeakPolarHBondContact O-CB 3.28Å; D1192-T1196 PolarHBondContact O-N 3.37Å; D1192-T1196 PolarHBondContact O-OG1 2.91Å; S1193-T1196 WeakPolarHBondContact O-CB 3.42Å; R1194-T1196 VanDerWaalsContact C-N 3.33Å; T1196-L1198 VanDerWaalsContact C-N 3.3Å; T1196-L1198 PolarHBondContact O-N 2.88Å; T1196-V1199 PolarHBondContact O-N 3.34Å; T1196-I1200 HydrophobicContact CG2-CD1 3.89Å; T1196-I1200 HydrophobicContact CG2-CG1 4.45Å; T1196-I1200 WeakPolarHBondContact O-CG1 3.47Å; T1196-I1200 PolarHBondContact O-N 3.25Å; T1196-L1224 HydrophobicContact CG2-CD1 3.45Å; T1196-L1224 VanDerWaalsContact CG2-CD1 3.45Å
1197H85.5Confident83.8Confident124 Ų12459 Ų5957%0.57432%0.323SS*.Hα-helixtrans-63.1-36.8179.2-140.4-62.8000112.2S1193 R1194 L1195 I1200 V1201S1193-H1197 WeakPolarHBondContact O-CB 3.39Å; S1193-H1197 PolarHBondContact O-N 3.23Å; R1194-H1197 PolarHBondContact O-N 3.02Å; L1195-H1197 VanDerWaalsContact C-N 3.33Å; L1195-H1197 PolarHBondContact O-N 3.32Å; H1197-I1200 PolarHBondContact O-N 3.4Å; H1197-V1201 WeakPolarHBondContact O-CB 3.49Å; H1197-V1201 WeakPolarHBondContact O-CG2 3.37Å; H1197-V1201 PolarHBondContact O-N 3.41Å
1198L86.8Confident83.4Confident76 Ų7662 Ų6240%0.39834%0.34SS..Hα-helixtrans-62.2-43.9175.9-166.2106.4000111.6I1165 L1169 R1194 L1195 T1196 Y1202I1165-L1198 HydrophobicContact CG2-CD2 3.75Å; L1169-L1198 HydrophobicContact CD1-CD2 3.86Å; R1194-L1198 PolarHBondContact O-N 3.38Å; L1195-L1198 WeakPolarHBondContact O-CB 3.27Å; L1195-L1198 PolarHBondContact O-N 2.85Å; T1196-L1198 VanDerWaalsContact C-N 3.3Å; T1196-L1198 PolarHBondContact O-N 2.88Å; L1198-Y1202 PolarHBondContact O-N 3.27Å
1199V86.7Confident83Confident3 Ų364 Ų642%0.01836%0.36CS..Hα-helixtrans-69.5-38.2176.5175.70000111.2I1165 L1184 V1187 L1195 T1196 Y1202 L1203 L1220I1165-V1199 HydrophobicContact CD1-CG2 4.29Å; I1165-V1199 HydrophobicContact CG2-CG2 3.94Å; L1184-V1199 HydrophobicContact CD2-CG1 4.06Å; V1187-V1199 HydrophobicContact CG2-CB 4.16Å; V1187-V1199 HydrophobicContact CG2-CG2 3.55Å; L1195-V1199 PolarHBondContact O-N 3.42Å; T1196-V1199 PolarHBondContact O-N 3.34Å; V1199-Y1202 PolarHBondContact O-N 2.98Å; V1199-L1203 HydrophobicContact CG1-CD1 4.11Å; V1199-L1203 HydrophobicContact CG1-CG 4.28Å; V1199-L1203 WeakPolarHBondContact O-CB 3.2Å; V1199-L1203 VanDerWaalsContact O-CG 3.27Å; V1199-L1203 WeakPolarHBondContact O-CG 3.46Å; V1199-L1203 PolarHBondContact O-N 2.82Å; V1199-L1220 HydrophobicContact CG1-CD2 4.34Å
1200I85.7Confident82.8Confident24 Ų2462.4 Ų62.412%0.12336%0.355CS..Hα-helixtrans-60.9-48.4173.9-69.3171.8000111T1196 H1197 Y1202 L1203 M1204 L1217 L1220 Y1221T1196-I1200 HydrophobicContact CG2-CD1 3.89Å; T1196-I1200 HydrophobicContact CG2-CG1 4.45Å; T1196-I1200 WeakPolarHBondContact O-CG1 3.47Å; T1196-I1200 PolarHBondContact O-N 3.25Å; H1197-I1200 PolarHBondContact O-N 3.4Å; I1200-Y1202 VanDerWaalsContact C-N 3.27Å; I1200-Y1202 PolarHBondContact O-N 3.08Å; I1200-L1203 CarbonylContact O-C 3.58Å; I1200-L1203 PolarHBondContact O-N 2.7Å; I1200-L1203 VanDerWaalsContact O-N 3.08Å; I1200-M1204 HydrophobicContact CG2-CG 4.23Å; I1200-M1204 HydrophobicContact CG2-SD 3.76Å; I1200-M1204 WeakPolarHBondContact O-CB 3.25Å; I1200-M1204 WeakPolarHBondContact O-CG 3.22Å; I1200-M1204 PolarHBondContact O-N 3.44Å; I1200-L1217 HydrophobicContact CG1-CD1 4.07Å; I1200-L1217 HydrophobicContact CG2-CD1 4.33Å; I1200-L1220 HydrophobicContact CD1-CD2 4.29Å; I1200-L1220 HydrophobicContact CG1-CD2 3.56Å; I1200-Y1221 HydrophobicContact CD1-CE1 4.48Å
1201V85.1Confident82.7Confident34 Ų3466.7 Ų66.721%0.20638%0.378CS..Hα-helixtrans-59.4-39.2177.31670000110.8H1197 G1205 E1206 T1207H1197-V1201 WeakPolarHBondContact O-CB 3.49Å; H1197-V1201 WeakPolarHBondContact O-CG2 3.37Å; H1197-V1201 PolarHBondContact O-N 3.41Å; V1201-G1205 PolarHBondContact O-N 2.6Å; V1201-E1206 HydrophobicContact CG1-CB 3.73Å; V1201-E1206 PolarHBondContact O-N 3.27Å; V1201-E1206 VanDerWaalsContact O-N 3.12Å; V1201-T1207 HydrophobicContact CG1-CG2 3.94Å
1202Y86.4Confident83Confident20 Ų2064.2 Ų64.28%0.07835%0.35CS..Hα-helixtrans-64.5-45.8172.2179.9-96.1000112.4L1169 I1180 L1198 V1199 I1200 M1204 G1205 T1207 K1212L1169-Y1202 HydrophobicContact CD1-CG 4.42Å; L1169-Y1202 HydrophobicContact CD2-CD1 3.57Å; L1169-Y1202 HydrophobicContact CD2-CD2 4.27Å; L1169-Y1202 HydrophobicContact CD2-CE1 3.75Å; L1169-Y1202 HydrophobicContact CD2-CE2 4.45Å; L1169-Y1202 HydrophobicContact CD2-CG 3.85Å; I1180-Y1202 HydrophobicContact CD1-CE1 4.21Å; L1198-Y1202 PolarHBondContact O-N 3.27Å; V1199-Y1202 PolarHBondContact O-N 2.98Å; I1200-Y1202 VanDerWaalsContact C-N 3.27Å; I1200-Y1202 PolarHBondContact O-N 3.08Å; Y1202-M1204 VanDerWaalsContact C-N 3.31Å; Y1202-M1204 PolarHBondContact O-N 3.12Å; Y1202-G1205 PolarHBondContact O-N 3.12Å; Y1202-G1205 VanDerWaalsContact O-N 3.09Å; Y1202-T1207 WeakPolarHBondContact CA-OG1 3.49Å; Y1202-T1207 VanDerWaalsContact CD2-OG1 3.31Å; Y1202-T1207 WeakPolarHBondContact CD2-OG1 3.36Å; Y1202-K1212 WeakPolarHBondContact O-CE 3.46Å; Y1202-K1212 PolarHBondContact O-NZ 3.28Å
1203L85.4Confident82.9Confident7 Ų763.8 Ų63.84%0.03735%0.348CS..Hα-helixtrans-64.8-34.3177.8-69.7176.4000112.4L1184 V1199 I1200 G1205 K1212 Y1216 L1217 L1220L1184-L1203 HydrophobicContact CD2-CD1 4.5Å; V1199-L1203 HydrophobicContact CG1-CD1 4.11Å; V1199-L1203 HydrophobicContact CG1-CG 4.28Å; V1199-L1203 WeakPolarHBondContact O-CB 3.2Å; V1199-L1203 VanDerWaalsContact O-CG 3.27Å; V1199-L1203 WeakPolarHBondContact O-CG 3.46Å; V1199-L1203 PolarHBondContact O-N 2.82Å; I1200-L1203 CarbonylContact O-C 3.58Å; I1200-L1203 PolarHBondContact O-N 2.7Å; I1200-L1203 VanDerWaalsContact O-N 3.08Å; L1203-G1205 PolarHBondContact O-N 3.05Å; L1203-K1212 HydrophobicContact CD2-CB 3.88Å; L1203-K1212 HydrophobicContact CD2-CG 4.13Å; L1203-K1212 WeakPolarHBondContact O-CB 3.27Å; L1203-K1212 PolarHBondContact O-N 2.81Å; L1203-Y1216 VanDerWaalsContact CD2-CB 3.49Å; L1203-Y1216 HydrophobicContact CD2-CD2 4.45Å; L1203-Y1216 HydrophobicContact CD2-CG 4.14Å; L1203-L1217 HydrophobicContact CD1-CB 4.47Å; L1203-L1217 HydrophobicContact CD1-CD1 4.22Å; L1203-L1220 HydrophobicContact CD1-CD2 4.22Å
1204M82.2Confident83Confident100 Ų10060.6 Ų60.649%0.49333%0.327SS..THydrogen-bonded Turntrans-75.6-3.6175-68.6-177.16700113.4I1200 Y1202 E1206I1200-M1204 HydrophobicContact CG2-CG 4.23Å; I1200-M1204 HydrophobicContact CG2-SD 3.76Å; I1200-M1204 WeakPolarHBondContact O-CB 3.25Å; I1200-M1204 WeakPolarHBondContact O-CG 3.22Å; I1200-M1204 PolarHBondContact O-N 3.44Å; Y1202-M1204 VanDerWaalsContact C-N 3.31Å; Y1202-M1204 PolarHBondContact O-N 3.12Å; M1204-E1206 VanDerWaalsContact C-N 3.33Å; M1204-E1206 HydrophobicContact CB-CG 4.46Å; M1204-E1206 PolarHBondContact O-N 3.33Å
1205G81.5Confident82.9Confident8 Ų859.3 Ų59.38%0.08232%0.322CS..THydrogen-bonded Turntrans78.211.8175.700000115.2V1201 Y1202 L1203 T1207 G1209 I1210V1201-G1205 PolarHBondContact O-N 2.6Å; Y1202-G1205 PolarHBondContact O-N 3.12Å; Y1202-G1205 VanDerWaalsContact O-N 3.09Å; L1203-G1205 PolarHBondContact O-N 3.05Å; G1205-T1207 PolarHBondContact O-N 3.01Å; G1205-G1209 CarbonylContact O-C 3.6Å; G1205-G1209 WeakPolarHBondContact O-CA 2.96Å; G1205-G1209 PolarHBondContact O-N 3.17Å; G1205-I1210 VanDerWaalsContact CA-C 3.46Å; G1205-I1210 WeakPolarHBondContact CA-O 3.12Å
1206E79.4Confident82.9Confident136 Ų13659.5 Ų59.564%0.63632%0.322SS*.THydrogen-bonded Turntrans-71.5-18.8-179-67-176.5177.100112.9V1201 M1204V1201-E1206 HydrophobicContact CG1-CB 3.73Å; V1201-E1206 PolarHBondContact O-N 3.27Å; V1201-E1206 VanDerWaalsContact O-N 3.12Å; M1204-E1206 VanDerWaalsContact C-N 3.33Å; M1204-E1206 HydrophobicContact CB-CG 4.46Å; M1204-E1206 PolarHBondContact O-N 3.33Å
1207T76.6Confident83Confident90 Ų9060.5 Ų60.555%0.55233%0.327SS*.THydrogen-bonded Turntrans-96.7-36.9-177.542.40000114.4V1201 Y1202 G1205V1201-T1207 HydrophobicContact CG1-CG2 3.94Å; Y1202-T1207 WeakPolarHBondContact CA-OG1 3.49Å; Y1202-T1207 VanDerWaalsContact CD2-OG1 3.31Å; Y1202-T1207 WeakPolarHBondContact CD2-OG1 3.36Å; G1205-T1207 PolarHBondContact O-N 3.01Å
1208D78.9Confident83Confident65 Ų6556 Ų5635%0.34831%0.305SS..THydrogen-bonded Turntrans-118.61.3-178.167.2-6000113.5I1210 K1212D1208-I1210 VanDerWaalsContact C-N 3.3Å; D1208-I1210 PolarHBondContact O-N 3.44Å; D1208-I1210 PolarHBondContact OD1-N 3.31Å; D1208-I1210 VanDerWaalsContact OD1-N 3.07Å; D1208-K1212 IonicContact OD1-NZ 3Å; D1208-K1212 PolarHBondContact OD1-NZ 3.32Å; D1208-K1212 VanDerWaalsContact OD2-CE 3.26Å; D1208-K1212 WeakPolarHBondContact OD2-CE 3.41Å; D1208-K1212 IonicContact OD2-NZ 3.48Å; D1208-K1212 PolarHBondContact OD2-NZ 3.08Å
1209G75Confident83Confident69 Ų6959.1 Ų59.171%0.71131%0.312SS*.SBendtrans810.7178.400000115.2G1205G1205-G1209 CarbonylContact O-C 3.6Å; G1205-G1209 WeakPolarHBondContact O-CA 2.96Å; G1205-G1209 PolarHBondContact O-N 3.17Å
1210I78.1Confident83Confident96 Ų9659 Ų5949%0.49231%0.311SS..  trans-116.4115.7-176-55.8173.8000108.7G1205 D1208 K1212G1205-I1210 VanDerWaalsContact CA-C 3.46Å; G1205-I1210 WeakPolarHBondContact CA-O 3.12Å; D1208-I1210 VanDerWaalsContact C-N 3.3Å; D1208-I1210 PolarHBondContact O-N 3.44Å; D1208-I1210 PolarHBondContact OD1-N 3.31Å; D1208-I1210 VanDerWaalsContact OD1-N 3.07Å; I1210-K1212 WeakPolarHBondContact O-CD 3.43Å; I1210-K1212 WeakPolarHBondContact O-CE 3.35Å; I1210-K1212 PolarHBondContact O-N 2.87Å; I1210-K1212 PolarHBondContact O-NZ 3.07Å
1211V79.8Confident83.1Confident114 Ų11459.5 Ų59.569%0.69131%0.311SS*.PPolyproline II helixtrans-67.6126.2172-1730000108.3
1212K85Confident83.1Confident11 Ų1159.3 Ų59.35%0.04831%0.309CS..PPolyproline II helixtrans-84.6163.4178.6-77.855.9166.6-158.50108.8Y1173 Y1202 L1203 D1208 I1210 A1214 Y1216Y1173-K1212 HydrophobicContact CE2-CG 4.23Å; Y1202-K1212 WeakPolarHBondContact O-CE 3.46Å; Y1202-K1212 PolarHBondContact O-NZ 3.28Å; L1203-K1212 HydrophobicContact CD2-CB 3.88Å; L1203-K1212 HydrophobicContact CD2-CG 4.13Å; L1203-K1212 WeakPolarHBondContact O-CB 3.27Å; L1203-K1212 PolarHBondContact O-N 2.81Å; D1208-K1212 IonicContact OD1-NZ 3Å; D1208-K1212 PolarHBondContact OD1-NZ 3.32Å; D1208-K1212 VanDerWaalsContact OD2-CE 3.26Å; D1208-K1212 WeakPolarHBondContact OD2-CE 3.41Å; D1208-K1212 IonicContact OD2-NZ 3.48Å; D1208-K1212 PolarHBondContact OD2-NZ 3.08Å; I1210-K1212 WeakPolarHBondContact O-CD 3.43Å; I1210-K1212 WeakPolarHBondContact O-CE 3.35Å; I1210-K1212 PolarHBondContact O-N 2.87Å; I1210-K1212 PolarHBondContact O-NZ 3.07Å; K1212-A1214 PolarHBondContact O-N 2.81Å; K1212-Y1216 HydrophobicContact CB-CD2 4.19Å
1213D81.7Confident83Confident56 Ų5660.9 Ų60.930%0.29932%0.321SS..PPolyproline II helixtrans-56.8131.5176.2-163.1-54000111.9R1215 Y1216D1213-R1215 PolarHBondContact O-N 2.93Å; D1213-R1215 WeakPolarHBondContact OD1-CB 3.04Å; D1213-R1215 WeakPolarHBondContact OD1-CG 3.35Å; D1213-R1215 PolarHBondContact OD1-N 2.8Å; D1213-R1215 IonicContact OD1-NE 3.01Å; D1213-R1215 PolarHBondContact OD1-NE 2.76Å; D1213-R1215 VanDerWaalsContact OD1-NE 3.08Å; D1213-R1215 IonicContact OD2-CZ 3.55Å; D1213-R1215 IonicContact OD2-NE 3.2Å; D1213-R1215 PolarHBondContact OD2-NE 2.9Å; D1213-R1215 IonicContact OD2-NH2 2.77Å; D1213-R1215 PolarHBondContact OD2-NH2 2.99Å; D1213-Y1216 HydrophobicContact CB-CD2 3.98Å; D1213-Y1216 HydrophobicContact CB-CE2 4.22Å; D1213-Y1216 WeakPolarHBondContact O-CB 3.22Å; D1213-Y1216 PolarHBondContact O-N 2.81Å
1214A83.6Confident83Confident26 Ų2662.1 Ų62.122%0.21533%0.327CS..Hα-helixtrans-57.5-20.2177.100000112.9K1212 Y1216 L1217 F1218 I1237K1212-A1214 PolarHBondContact O-N 2.81Å; A1214-Y1216 PolarHBondContact O-N 2.88Å; A1214-L1217 WeakPolarHBondContact O-CB 3.38Å; A1214-L1217 PolarHBondContact O-N 3.11Å; A1214-L1217 VanDerWaalsContact O-N 3.1Å; A1214-F1218 PolarHBondContact O-N 2.86Å; A1214-I1237 HydrophobicContact CB-CD1 4.14Å; A1214-I1237 HydrophobicContact CB-CG1 3.74Å
1215R84.5Confident83.2Confident158 Ų15864.5 Ų64.560%0.59633%0.334SS*.Hα-helixtrans-57.1-34.6170.9-70.8179.1-76.8-178.3-1.9112.9D1213 R1219 I1237D1213-R1215 PolarHBondContact O-N 2.93Å; D1213-R1215 WeakPolarHBondContact OD1-CB 3.04Å; D1213-R1215 WeakPolarHBondContact OD1-CG 3.35Å; D1213-R1215 PolarHBondContact OD1-N 2.8Å; D1213-R1215 IonicContact OD1-NE 3.01Å; D1213-R1215 PolarHBondContact OD1-NE 2.76Å; D1213-R1215 VanDerWaalsContact OD1-NE 3.08Å; D1213-R1215 IonicContact OD2-CZ 3.55Å; D1213-R1215 IonicContact OD2-NE 3.2Å; D1213-R1215 PolarHBondContact OD2-NE 2.9Å; D1213-R1215 IonicContact OD2-NH2 2.77Å; D1213-R1215 PolarHBondContact OD2-NH2 2.99Å; R1215-R1219 VanDerWaalsContact O-CB 3.29Å; R1215-R1219 WeakPolarHBondContact O-CB 3.45Å; R1215-R1219 PolarHBondContact O-N 3.13Å; R1215-I1237 HydrophobicContact CG-CD1 4.41Å
1216Y87.7Confident83.4Confident18 Ų1868.3 Ų68.37%0.07135%0.35CS..Hα-helixtrans-70.6-38.4175-68.8-64.6000111.9Y1173 N1176 I1180 L1184 L1203 K1212 D1213 A1214 R1219 L1220Y1173-Y1216 HydrophobicContact CE2-CE2 4.14Å; N1176-Y1216 WeakPolarHBondContact CA-OH 3.38Å; N1176-Y1216 PolarHBondContact N-OH 2.76Å; I1180-Y1216 HydrophobicContact CB-CE1 4.38Å; I1180-Y1216 HydrophobicContact CG2-CD1 3.6Å; I1180-Y1216 HydrophobicContact CG2-CE1 3.73Å; I1180-Y1216 HydrophobicContact CG2-CG 4.23Å; L1184-Y1216 HydrophobicContact CD1-CD1 4.27Å; L1203-Y1216 VanDerWaalsContact CD2-CB 3.49Å; L1203-Y1216 HydrophobicContact CD2-CD2 4.45Å; L1203-Y1216 HydrophobicContact CD2-CG 4.14Å; K1212-Y1216 HydrophobicContact CB-CD2 4.19Å; D1213-Y1216 HydrophobicContact CB-CD2 3.98Å; D1213-Y1216 HydrophobicContact CB-CE2 4.22Å; D1213-Y1216 WeakPolarHBondContact O-CB 3.22Å; D1213-Y1216 PolarHBondContact O-N 2.81Å; A1214-Y1216 PolarHBondContact O-N 2.88Å; Y1216-R1219 PolarHBondContact O-N 3.07Å; Y1216-L1220 WeakPolarHBondContact O-CB 3.48Å; Y1216-L1220 PolarHBondContact O-N 3.48Å
1217L87.2Confident83.8Confident36 Ų3663.3 Ų63.319%0.18833%0.326CS..Hα-helixtrans-66.8-42.5175.7-168.173.9000111.1I1200 L1203 A1214 R1219 L1220 Y1221 T1233I1200-L1217 HydrophobicContact CG1-CD1 4.07Å; I1200-L1217 HydrophobicContact CG2-CD1 4.33Å; L1203-L1217 HydrophobicContact CD1-CB 4.47Å; L1203-L1217 HydrophobicContact CD1-CD1 4.22Å; A1214-L1217 WeakPolarHBondContact O-CB 3.38Å; A1214-L1217 PolarHBondContact O-N 3.11Å; A1214-L1217 VanDerWaalsContact O-N 3.1Å; L1217-R1219 PolarHBondContact O-N 3.41Å; L1217-L1220 HydrophobicContact CD1-CD2 4.45Å; L1217-L1220 WeakPolarHBondContact O-CB 3.27Å; L1217-L1220 PolarHBondContact O-N 3.45Å; L1217-Y1221 HydrophobicContact CD1-CE2 4.14Å; L1217-Y1221 HydrophobicContact CD2-CE2 3.95Å; L1217-Y1221 HydrophobicContact CG-CD2 4.17Å; L1217-Y1221 HydrophobicContact CG-CE2 3.64Å; L1217-Y1221 VanDerWaalsContact O-CD2 3.26Å; L1217-Y1221 WeakPolarHBondContact O-CD2 3.45Å; L1217-Y1221 PolarHBondContact O-N 3.09Å; L1217-T1233 HydrophobicContact CB-CG2 4.44Å; L1217-T1233 HydrophobicContact CD2-CG2 4.24Å
1218F86.3Confident84.2Confident30 Ų3066.4 Ų66.413%0.13233%0.331CS..Hα-helixtrans-56.6-50171.6173.6-102.3000110.9A1214 L1220 Y1221 M1222 A1230 T1233 A1234 I1237 M1257A1214-F1218 PolarHBondContact O-N 2.86Å; F1218-L1220 VanDerWaalsContact C-N 3.33Å; F1218-L1220 PolarHBondContact O-N 3.22Å; F1218-Y1221 PolarHBondContact O-N 2.95Å; F1218-M1222 HydrophobicContact CD1-CG 4.25Å; F1218-M1222 HydrophobicContact CD2-CG 4.49Å; F1218-M1222 HydrophobicContact CE1-CG 3.84Å; F1218-M1222 HydrophobicContact CE2-CG 4.1Å; F1218-M1222 HydrophobicContact CE2-SD 4.13Å; F1218-M1222 HydrophobicContact CZ-CG 3.75Å; F1218-M1222 HydrophobicContact CZ-SD 3.98Å; F1218-M1222 VanDerWaalsContact O-CG 3.31Å; F1218-M1222 WeakPolarHBondContact O-CG 3.37Å; F1218-M1222 PolarHBondContact O-N 3.44Å; F1218-A1230 HydrophobicContact CD2-CB 4.24Å; F1218-A1230 WeakPolarHBondContact CD2-O 3.4Å; F1218-A1230 HydrophobicContact CE2-CB 4.13Å; F1218-T1233 HydrophobicContact CB-CG2 4.04Å; F1218-A1234 HydrophobicContact CD2-CB 4.1Å; F1218-A1234 HydrophobicContact CE2-CB 3.85Å; F1218-I1237 HydrophobicContact CB-CD1 3.8Å; F1218-I1237 HydrophobicContact CG-CD1 4.34Å; F1218-M1257 HydrophobicContact CE2-SD 3.72Å; F1218-M1257 HydrophobicContact CZ-SD 3.93Å
1219R85.5Confident84.5Confident141 Ų14166.4 Ų66.453%0.53233%0.329SS..Hα-helixtrans-64.8-35.6-179.5-158.3163.7-175.2171.7-3.8112.5D1181 L1184 R1215 Y1216 L1217 M1222 V1223D1181-R1219 IonicContact OD1-CZ 3.83Å; D1181-R1219 IonicContact OD1-NH1 2.69Å; L1184-R1219 HydrophobicContact CD1-CB 4.1Å; L1184-R1219 HydrophobicContact CD1-CG 4.29Å; R1215-R1219 VanDerWaalsContact O-CB 3.29Å; R1215-R1219 WeakPolarHBondContact O-CB 3.45Å; R1215-R1219 PolarHBondContact O-N 3.13Å; Y1216-R1219 PolarHBondContact O-N 3.07Å; L1217-R1219 PolarHBondContact O-N 3.41Å; R1219-M1222 PolarHBondContact O-N 2.82Å; R1219-V1223 VanDerWaalsContact O-CG2 3.31Å; R1219-V1223 WeakPolarHBondContact O-CG2 3.5Å; R1219-V1223 PolarHBondContact O-N 3.39Å
1220L87.2Confident85.1Confident0 Ų063.1 Ų63.10%030%0.295CS..Hα-helixtrans-58.6-51.4171.2-179.764000111.4L1184 V1187 V1199 I1200 L1203 Y1216 L1217 F1218 M1222 V1223 L1224L1184-L1220 HydrophobicContact CD2-CB 3.72Å; L1184-L1220 HydrophobicContact CD2-CD1 3.66Å; L1184-L1220 HydrophobicContact CD2-CG 4.18Å; V1187-L1220 HydrophobicContact CB-CD1 4.09Å; V1187-L1220 HydrophobicContact CG1-CD1 3.76Å; V1199-L1220 HydrophobicContact CG1-CD2 4.34Å; I1200-L1220 HydrophobicContact CD1-CD2 4.29Å; I1200-L1220 HydrophobicContact CG1-CD2 3.56Å; L1203-L1220 HydrophobicContact CD1-CD2 4.22Å; Y1216-L1220 WeakPolarHBondContact O-CB 3.48Å; Y1216-L1220 PolarHBondContact O-N 3.48Å; L1217-L1220 HydrophobicContact CD1-CD2 4.45Å; L1217-L1220 WeakPolarHBondContact O-CB 3.27Å; L1217-L1220 PolarHBondContact O-N 3.45Å; F1218-L1220 VanDerWaalsContact C-N 3.33Å; F1218-L1220 PolarHBondContact O-N 3.22Å; L1220-M1222 VanDerWaalsContact C-N 3.28Å; L1220-M1222 PolarHBondContact O-N 2.95Å; L1220-V1223 PolarHBondContact O-N 3.38Å; L1220-L1224 HydrophobicContact CD1-CD1 3.93Å; L1220-L1224 HydrophobicContact CD1-CG 4.32Å; L1220-L1224 HydrophobicContact CG-CD1 3.9Å; L1220-L1224 WeakPolarHBondContact O-CB 3.46Å; L1220-L1224 WeakPolarHBondContact O-CG 3.27Å; L1220-L1224 PolarHBondContact O-N 2.95Å
1221Y88.3Confident85.5Confident34 Ų3458.6 Ų58.613%0.13327%0.272CS..Hα-helixtrans-64-34.5178.9-69.7-46.9000112.6I1200 L1217 F1218 K1225 Q1226 E1229 T1233I1200-Y1221 HydrophobicContact CD1-CE1 4.48Å; L1217-Y1221 HydrophobicContact CD1-CE2 4.14Å; L1217-Y1221 HydrophobicContact CD2-CE2 3.95Å; L1217-Y1221 HydrophobicContact CG-CD2 4.17Å; L1217-Y1221 HydrophobicContact CG-CE2 3.64Å; L1217-Y1221 VanDerWaalsContact O-CD2 3.26Å; L1217-Y1221 WeakPolarHBondContact O-CD2 3.45Å; L1217-Y1221 PolarHBondContact O-N 3.09Å; F1218-Y1221 PolarHBondContact O-N 2.95Å; Y1221-K1225 PolarHBondContact O-N 3.32Å; Y1221-K1225 VanDerWaalsContact O-N 3.16Å; Y1221-Q1226 HydrophobicContact CD1-CB 4.11Å; Y1221-Q1226 VanDerWaalsContact CD1-OE1 3.26Å; Y1221-Q1226 PolarHBondContact O-N 3.31Å; Y1221-E1229 HydrophobicContact CD1-CB 3.85Å; Y1221-E1229 HydrophobicContact CD2-CB 3.93Å; Y1221-E1229 HydrophobicContact CE1-CB 3.88Å; Y1221-E1229 HydrophobicContact CE1-CG 4.45Å; Y1221-E1229 HydrophobicContact CE2-CB 3.94Å; Y1221-E1229 HydrophobicContact CG-CB 3.9Å; Y1221-T1233 WeakPolarHBondContact CD2-OG1 3.47Å; Y1221-T1233 WeakPolarHBondContact CE2-OG1 3.36Å
1222M85.3Confident85.9Confident30 Ų3060.4 Ų60.415%0.14827%0.267CS..Hα-helixtrans-63.1-45.9173-70.4-51.3-57.300112.2F1218 R1219 L1220 K1225 Y1227 A1230 M1257 E1260F1218-M1222 HydrophobicContact CD1-CG 4.25Å; F1218-M1222 HydrophobicContact CD2-CG 4.49Å; F1218-M1222 HydrophobicContact CE1-CG 3.84Å; F1218-M1222 HydrophobicContact CE2-CG 4.1Å; F1218-M1222 HydrophobicContact CE2-SD 4.13Å; F1218-M1222 HydrophobicContact CZ-CG 3.75Å; F1218-M1222 HydrophobicContact CZ-SD 3.98Å; F1218-M1222 VanDerWaalsContact O-CG 3.31Å; F1218-M1222 WeakPolarHBondContact O-CG 3.37Å; F1218-M1222 PolarHBondContact O-N 3.44Å; R1219-M1222 PolarHBondContact O-N 2.82Å; L1220-M1222 VanDerWaalsContact C-N 3.28Å; L1220-M1222 PolarHBondContact O-N 2.95Å; M1222-K1225 PolarHBondContact O-N 2.72Å; M1222-K1225 VanDerWaalsContact O-N 3.15Å; M1222-Y1227 HydrophobicContact CE-CD1 4.13Å; M1222-Y1227 HydrophobicContact CE-CE1 4.05Å; M1222-Y1227 HydrophobicContact SD-CD1 4.32Å; M1222-A1230 HydrophobicContact CG-CB 4.25Å; M1222-A1230 HydrophobicContact SD-CB 3.53Å; M1222-A1230 VanDerWaalsContact SD-CB 3.53Å; M1222-M1257 HydrophobicContact SD-CE 3.97Å; M1222-M1257 HydrophobicContact SD-SD 3.87Å; M1222-E1260 WeakPolarHBondContact CE-OE1 3.47Å; M1222-E1260 WeakPolarHBondContact CE-OE2 3.41Å
1223V84.6Confident86.2Confident54 Ų5460.4 Ų60.433%0.32727%0.268SS..Hα-helixtrans-65.7-40.5177.7169.10000111.5L1184 G1188 R1219 L1220 K1225L1184-V1223 WeakPolarHBondContact O-CG1 3.46Å; G1188-V1223 VanDerWaalsContact CA-CG1 3.44Å; R1219-V1223 VanDerWaalsContact O-CG2 3.31Å; R1219-V1223 WeakPolarHBondContact O-CG2 3.5Å; R1219-V1223 PolarHBondContact O-N 3.39Å; L1220-V1223 PolarHBondContact O-N 3.38Å; V1223-K1225 PolarHBondContact O-N 3.43Å
1224L84.9Confident86.6Confident32 Ų3257.7 Ų57.717%0.16825%0.253CS..THydrogen-bonded Turntrans-72.6-0.8174.9-73.6172.5000114V1187 T1196 L1220 Q1226V1187-L1224 HydrophobicContact CG1-CD1 4.28Å; V1187-L1224 HydrophobicContact CG1-CD2 3.91Å; V1187-L1224 HydrophobicContact CG1-CG 4.31Å; T1196-L1224 HydrophobicContact CG2-CD1 3.45Å; T1196-L1224 VanDerWaalsContact CG2-CD1 3.45Å; L1220-L1224 HydrophobicContact CD1-CD1 3.93Å; L1220-L1224 HydrophobicContact CD1-CG 4.32Å; L1220-L1224 HydrophobicContact CG-CD1 3.9Å; L1220-L1224 WeakPolarHBondContact O-CB 3.46Å; L1220-L1224 WeakPolarHBondContact O-CG 3.27Å; L1220-L1224 PolarHBondContact O-N 2.95Å; L1224-Q1226 HydrophobicContact CB-CG 4.1Å; L1224-Q1226 PolarHBondContact O-N 3.21Å; L1224-Q1226 VanDerWaalsContact O-N 3.14Å
1225K85.7Confident86.9Confident150 Ų15057 Ų5765%0.65225%0.246SC*.THydrogen-bonded Turntrans5724.1-175.4-53.5178.9-178.7173.80113.1Y1221 M1222 V1223 Y1227Y1221-K1225 PolarHBondContact O-N 3.32Å; Y1221-K1225 VanDerWaalsContact O-N 3.16Å; M1222-K1225 PolarHBondContact O-N 2.72Å; M1222-K1225 VanDerWaalsContact O-N 3.15Å; V1223-K1225 PolarHBondContact O-N 3.43Å; K1225-Y1227 VanDerWaalsContact C-N 3.3Å; K1225-Y1227 HydrophobicContact CB-CE1 4.45Å; K1225-Y1227 HydrophobicContact CB-CE2 3.94Å; K1225-Y1227 WeakPolarHBondContact CG-OH 3.48Å; K1225-Y1227 VanDerWaalsContact O-CD2 3.26Å; K1225-Y1227 WeakPolarHBondContact O-CD2 3.26Å; K1225-Y1227 WeakPolarHBondContact O-CE2 3.26Å; K1225-Y1227 PolarHBondContact O-N 2.75Å; K1225-Y1227 VanDerWaalsContact O-N 3.12Å
1226Q86.4Confident87.1Confident89 Ų8954.4 Ų54.442%0.41624%0.243SC..  trans-86.969.3176.4-72-174.6-9.300110Y1221 L1224 K1228 E1229 A1230Y1221-Q1226 HydrophobicContact CD1-CB 4.11Å; Y1221-Q1226 VanDerWaalsContact CD1-OE1 3.26Å; Y1221-Q1226 PolarHBondContact O-N 3.31Å; L1224-Q1226 HydrophobicContact CB-CG 4.1Å; L1224-Q1226 PolarHBondContact O-N 3.21Å; L1224-Q1226 VanDerWaalsContact O-N 3.14Å; Q1226-K1228 VanDerWaalsContact C-N 3.3Å; Q1226-K1228 PolarHBondContact O-N 2.88Å; Q1226-E1229 PolarHBondContact O-N 2.9Å; Q1226-A1230 PolarHBondContact O-N 2.94Å
1227Y87.1Confident87.2Confident31 Ų3154.3 Ų54.312%0.12224%0.244CC..Hα-helixtrans-64.6-28.7-170.9-52.9-62.8000114.5M1222 K1225 A1231 M1257 R1264 I1266M1222-Y1227 HydrophobicContact CE-CD1 4.13Å; M1222-Y1227 HydrophobicContact CE-CE1 4.05Å; M1222-Y1227 HydrophobicContact SD-CD1 4.32Å; K1225-Y1227 VanDerWaalsContact C-N 3.3Å; K1225-Y1227 HydrophobicContact CB-CE1 4.45Å; K1225-Y1227 HydrophobicContact CB-CE2 3.94Å; K1225-Y1227 WeakPolarHBondContact CG-OH 3.48Å; K1225-Y1227 VanDerWaalsContact O-CD2 3.26Å; K1225-Y1227 WeakPolarHBondContact O-CD2 3.26Å; K1225-Y1227 WeakPolarHBondContact O-CE2 3.26Å; K1225-Y1227 PolarHBondContact O-N 2.75Å; K1225-Y1227 VanDerWaalsContact O-N 3.12Å; Y1227-A1231 VanDerWaalsContact O-CB 3.29Å; Y1227-A1231 WeakPolarHBondContact O-CB 3.47Å; Y1227-A1231 PolarHBondContact O-N 3.06Å; Y1227-M1257 HydrophobicContact CD1-CE 4.49Å; Y1227-R1264 VanDerWaalsContact CE1-CZ 3.44Å; Y1227-R1264 PolarHBondContact OH-NE 3.27Å; Y1227-R1264 VanDerWaalsContact OH-NE 3.1Å; Y1227-R1264 PolarHBondContact OH-NH1 2.86Å; Y1227-R1264 PolarHBondContact OH-NH2 2.86Å; Y1227-I1266 HydrophobicContact CD2-CD1 3.25Å; Y1227-I1266 HydrophobicContact CE2-CD1 4.04Å; Y1227-I1266 HydrophobicContact CG-CD1 3.82Å
1228K84.5Confident87.4Confident154 Ų15452.6 Ų52.667%0.6724%0.235SC*.Hα-helixtrans-65-45.8175.4-86.3-175.1175179.90111.9Q1226 A1231 R1232Q1226-K1228 VanDerWaalsContact C-N 3.3Å; Q1226-K1228 PolarHBondContact O-N 2.88Å; K1228-A1231 PolarHBondContact O-N 3.43Å; K1228-R1232 PolarHBondContact O-N 3.27Å; K1228-R1232 VanDerWaalsContact O-N 3.13Å
1229E85.4Confident87.6Confident65 Ų6553.3 Ų53.330%0.30424%0.24SC..Hα-helixtrans-73.4-34.9178.6-56.5-47.7138.100111.3Y1221 Q1226 A1231 R1232 T1233Y1221-E1229 HydrophobicContact CD1-CB 3.85Å; Y1221-E1229 HydrophobicContact CD2-CB 3.93Å; Y1221-E1229 HydrophobicContact CE1-CB 3.88Å; Y1221-E1229 HydrophobicContact CE1-CG 4.45Å; Y1221-E1229 HydrophobicContact CE2-CB 3.94Å; Y1221-E1229 HydrophobicContact CG-CB 3.9Å; Q1226-E1229 PolarHBondContact O-N 2.9Å; E1229-A1231 VanDerWaalsContact C-N 3.33Å; E1229-A1231 PolarHBondContact O-N 3.43Å; E1229-R1232 PolarHBondContact O-N 2.78Å; E1229-R1232 IonicContact OE1-CZ 3.13Å; E1229-R1232 IonicContact OE1-NH1 3.74Å; E1229-R1232 PolarHBondContact OE1-NH1 3.27Å; E1229-R1232 WeakPolarHBondContact OE2-CD 3.45Å; E1229-R1232 IonicContact OE2-CZ 2.77Å; E1229-R1232 IonicContact OE2-NH1 3.8Å; E1229-R1232 PolarHBondContact OE2-NH1 3.44Å; E1229-T1233 WeakPolarHBondContact O-CB 3.35Å; E1229-T1233 PolarHBondContact O-N 3.2Å; E1229-T1233 PolarHBondContact O-OG1 3.46Å
1230A88.3Confident87.8Confident0 Ų051.7 Ų51.70%024%0.238CC..Hα-helixtrans-59.4-43.6169.600000111.7F1218 M1222 Q1226 T1233 A1234 M1257F1218-A1230 HydrophobicContact CD2-CB 4.24Å; F1218-A1230 WeakPolarHBondContact CD2-O 3.4Å; F1218-A1230 HydrophobicContact CE2-CB 4.13Å; M1222-A1230 HydrophobicContact CG-CB 4.25Å; M1222-A1230 HydrophobicContact SD-CB 3.53Å; M1222-A1230 VanDerWaalsContact SD-CB 3.53Å; Q1226-A1230 PolarHBondContact O-N 2.94Å; A1230-T1233 PolarHBondContact O-N 3.06Å; A1230-A1234 WeakPolarHBondContact O-CB 3.48Å; A1230-A1234 PolarHBondContact O-N 2.75Å; A1230-M1257 HydrophobicContact CB-CE 4.01Å; A1230-M1257 HydrophobicContact CB-SD 4.4Å
1231A87.1Confident87.9Confident1 Ų154 Ų541%0.00825%0.249CC..Hα-helixtrans-63.4-42.9178.500000112.4Y1227 K1228 E1229 A1234 V1235 M1257 L1261 P1269 M1272Y1227-A1231 VanDerWaalsContact O-CB 3.29Å; Y1227-A1231 WeakPolarHBondContact O-CB 3.47Å; Y1227-A1231 PolarHBondContact O-N 3.06Å; K1228-A1231 PolarHBondContact O-N 3.43Å; E1229-A1231 VanDerWaalsContact C-N 3.33Å; E1229-A1231 PolarHBondContact O-N 3.43Å; A1231-A1234 PolarHBondContact O-N 3.41Å; A1231-V1235 WeakPolarHBondContact O-CG2 3.45Å; A1231-V1235 PolarHBondContact O-N 2.71Å; A1231-V1235 VanDerWaalsContact O-N 3.11Å; A1231-M1257 HydrophobicContact CB-CE 4.38Å; A1231-M1257 HydrophobicContact CB-CG 4.41Å; A1231-L1261 HydrophobicContact CB-CD1 4.05Å; A1231-P1269 HydrophobicContact CB-CG 4.03Å; A1231-M1272 HydrophobicContact CB-CE 4.3Å; A1231-M1272 HydrophobicContact CB-SD 4.34Å; A1231-M1272 WeakPolarHBondContact O-CE 3.35Å
1232R88.5Confident87.9Confident153 Ų15352.5 Ų52.558%0.57724%0.243SC*.Hα-helixtrans-61.5-45.7173.7-73175175.9163.6-3.7111.8K1228 E1229 A1234 V1235 I1236K1228-R1232 PolarHBondContact O-N 3.27Å; K1228-R1232 VanDerWaalsContact O-N 3.13Å; E1229-R1232 PolarHBondContact O-N 2.78Å; E1229-R1232 IonicContact OE1-CZ 3.13Å; E1229-R1232 IonicContact OE1-NH1 3.74Å; E1229-R1232 PolarHBondContact OE1-NH1 3.27Å; E1229-R1232 WeakPolarHBondContact OE2-CD 3.45Å; E1229-R1232 IonicContact OE2-CZ 2.77Å; E1229-R1232 IonicContact OE2-NH1 3.8Å; E1229-R1232 PolarHBondContact OE2-NH1 3.44Å; R1232-A1234 VanDerWaalsContact C-N 3.31Å; R1232-A1234 PolarHBondContact O-N 3.18Å; R1232-V1235 WeakPolarHBondContact O-CB 3.41Å; R1232-V1235 PolarHBondContact O-N 3.45Å; R1232-I1236 WeakPolarHBondContact O-CG1 3.29Å; R1232-I1236 PolarHBondContact O-N 2.84Å; R1232-I1236 VanDerWaalsContact O-N 3.16Å
1233T89.6Confident88Confident10 Ų1056 Ų566%0.06126%0.262CS..Hα-helixtrans-63.6-38.4178.5-50.30000111.3L1217 F1218 Y1221 E1229 A1230 V1235 I1236 I1237L1217-T1233 HydrophobicContact CB-CG2 4.44Å; L1217-T1233 HydrophobicContact CD2-CG2 4.24Å; F1218-T1233 HydrophobicContact CB-CG2 4.04Å; Y1221-T1233 WeakPolarHBondContact CD2-OG1 3.47Å; Y1221-T1233 WeakPolarHBondContact CE2-OG1 3.36Å; E1229-T1233 WeakPolarHBondContact O-CB 3.35Å; E1229-T1233 PolarHBondContact O-N 3.2Å; E1229-T1233 PolarHBondContact O-OG1 3.46Å; A1230-T1233 PolarHBondContact O-N 3.06Å; T1233-V1235 VanDerWaalsContact C-N 3.34Å; T1233-V1235 PolarHBondContact O-N 2.78Å; T1233-I1236 WeakPolarHBondContact O-CB 3.2Å; T1233-I1236 PolarHBondContact O-N 3.09Å; T1233-I1236 VanDerWaalsContact O-N 3.16Å; T1233-I1237 HydrophobicContact CG2-CD1 4.22Å; T1233-I1237 WeakPolarHBondContact O-CG1 3.27Å; T1233-I1237 PolarHBondContact O-N 2.92Å
1234A90.9Very high88.2Confident0 Ų058.1 Ų58.10%027%0.271CS..Hα-helixtrans-62.8-37.5174.700000112.6F1218 A1230 A1231 R1232 I1236 I1237 A1238 L1253 M1257 M1272F1218-A1234 HydrophobicContact CD2-CB 4.1Å; F1218-A1234 HydrophobicContact CE2-CB 3.85Å; A1230-A1234 WeakPolarHBondContact O-CB 3.48Å; A1230-A1234 PolarHBondContact O-N 2.75Å; A1231-A1234 PolarHBondContact O-N 3.41Å; R1232-A1234 VanDerWaalsContact C-N 3.31Å; R1232-A1234 PolarHBondContact O-N 3.18Å; A1234-I1236 VanDerWaalsContact C-N 3.32Å; A1234-I1237 PolarHBondContact O-N 3.32Å; A1234-A1238 WeakPolarHBondContact O-CB 3.32Å; A1234-A1238 PolarHBondContact O-N 2.89Å; A1234-L1253 HydrophobicContact CB-CD2 4.4Å; A1234-L1253 HydrophobicContact CB-CG 4.44Å; A1234-M1257 HydrophobicContact CB-CB 4.42Å; A1234-M1257 HydrophobicContact CB-CG 4.3Å; A1234-M1272 HydrophobicContact CB-CE 3.72Å
1235V90.5Very high88.3Confident10 Ų1057.2 Ų57.26%0.06127%0.27CS..Hα-helixtrans-63.3-39.3173.2173.50000111.3A1231 R1232 T1233 A1238 N1239 L1254 E1271 M1272A1231-V1235 WeakPolarHBondContact O-CG2 3.45Å; A1231-V1235 PolarHBondContact O-N 2.71Å; A1231-V1235 VanDerWaalsContact O-N 3.11Å; R1232-V1235 WeakPolarHBondContact O-CB 3.41Å; R1232-V1235 PolarHBondContact O-N 3.45Å; T1233-V1235 VanDerWaalsContact C-N 3.34Å; T1233-V1235 PolarHBondContact O-N 2.78Å; V1235-A1238 PolarHBondContact O-N 3.38Å; V1235-N1239 WeakPolarHBondContact O-CB 3.25Å; V1235-N1239 VanDerWaalsContact O-CG 3.29Å; V1235-N1239 PolarHBondContact O-N 3.34Å; V1235-N1239 PolarHBondContact O-ND2 2.77Å; V1235-L1254 HydrophobicContact CG2-CD2 4.2Å; V1235-E1271 HydrophobicContact CG1-CG 4.4Å; V1235-M1272 HydrophobicContact CG2-CB 3.71Å; V1235-M1272 HydrophobicContact CG2-CE 4.17Å; V1235-M1272 HydrophobicContact CG2-CG 4.47Å
1236I88.4Confident88.6Confident104 Ų10453.7 Ų53.753%0.53326%0.258SS..Hα-helixtrans-63.4-51.5176.8-63168.6000110.4R1232 T1233 A1234 A1238 N1239 E1240R1232-I1236 WeakPolarHBondContact O-CG1 3.29Å; R1232-I1236 PolarHBondContact O-N 2.84Å; R1232-I1236 VanDerWaalsContact O-N 3.16Å; T1233-I1236 WeakPolarHBondContact O-CB 3.2Å; T1233-I1236 PolarHBondContact O-N 3.09Å; T1233-I1236 VanDerWaalsContact O-N 3.16Å; A1234-I1236 VanDerWaalsContact C-N 3.32Å; I1236-A1238 VanDerWaalsContact C-N 3.28Å; I1236-A1238 PolarHBondContact O-N 3.12Å; I1236-N1239 PolarHBondContact O-N 3.36Å; I1236-E1240 PolarHBondContact O-N 3.05Å
1237I90Very high88.9Confident16 Ų1649.8 Ų49.88%0.08224%0.239CC..Hα-helixtrans-60-41.3178.3-61.6165.9000110.4A1214 R1215 F1218 T1233 A1234 E1240 E1241 L1253A1214-I1237 HydrophobicContact CB-CD1 4.14Å; A1214-I1237 HydrophobicContact CB-CG1 3.74Å; R1215-I1237 HydrophobicContact CG-CD1 4.41Å; F1218-I1237 HydrophobicContact CB-CD1 3.8Å; F1218-I1237 HydrophobicContact CG-CD1 4.34Å; T1233-I1237 HydrophobicContact CG2-CD1 4.22Å; T1233-I1237 WeakPolarHBondContact O-CG1 3.27Å; T1233-I1237 PolarHBondContact O-N 2.92Å; A1234-I1237 PolarHBondContact O-N 3.32Å; I1237-E1240 PolarHBondContact O-N 3.41Å; I1237-E1241 PolarHBondContact O-N 3Å; I1237-L1253 HydrophobicContact CB-CD2 3.65Å; I1237-L1253 HydrophobicContact CG2-CD2 3.51Å
1238A91.2Very high89.2Confident0 Ų051.6 Ų51.60%025%0.246CC..Hα-helixtrans-66.5-39.2178.400000112.8A1234 V1235 I1236 E1240 Q1242 A1250 L1253 L1254A1234-A1238 WeakPolarHBondContact O-CB 3.32Å; A1234-A1238 PolarHBondContact O-N 2.89Å; V1235-A1238 PolarHBondContact O-N 3.38Å; I1236-A1238 VanDerWaalsContact C-N 3.28Å; I1236-A1238 PolarHBondContact O-N 3.12Å; A1238-E1240 VanDerWaalsContact C-N 3.33Å; A1238-Q1242 WeakPolarHBondContact O-CB 3.44Å; A1238-Q1242 PolarHBondContact O-N 3.01Å; A1238-A1250 HydrophobicContact CB-CB 4.12Å; A1238-A1250 WeakPolarHBondContact O-CB 3.49Å; A1238-L1253 HydrophobicContact CB-CD2 4.4Å; A1238-L1254 HydrophobicContact CB-CD1 3.76Å; A1238-L1254 HydrophobicContact CB-CD2 3.65Å; A1238-L1254 HydrophobicContact CB-CG 3.56Å
1239N90.4Very high89.4Confident46 Ų4648.6 Ų48.625%0.24624%0.237CC..Hα-helixtrans-64.8-38.9174.3-77.8-20.1000111V1235 I1236 Q1242 I1243 N1275V1235-N1239 WeakPolarHBondContact O-CB 3.25Å; V1235-N1239 VanDerWaalsContact O-CG 3.29Å; V1235-N1239 PolarHBondContact O-N 3.34Å; V1235-N1239 PolarHBondContact O-ND2 2.77Å; I1236-N1239 PolarHBondContact O-N 3.36Å; N1239-Q1242 WeakPolarHBondContact O-CB 3.43Å; N1239-Q1242 PolarHBondContact O-N 3.14Å; N1239-Q1242 PolarHBondContact OD1-OE1 3.43Å; N1239-I1243 VanDerWaalsContact O-CG1 3.28Å; N1239-I1243 WeakPolarHBondContact O-CG1 3.22Å; N1239-I1243 PolarHBondContact O-N 3.16Å; N1239-N1275 PolarHBondContact OD1-ND2 3.3Å
1240E89Confident89.8Confident107 Ų10745.5 Ų45.550%0.522%0.223SC..Hα-helixtrans-65.7-46177-161.3171.8-158.200111.4I1236 I1237 A1238 Q1242 I1243 N1244I1236-E1240 PolarHBondContact O-N 3.05Å; I1237-E1240 PolarHBondContact O-N 3.41Å; A1238-E1240 VanDerWaalsContact C-N 3.33Å; E1240-Q1242 VanDerWaalsContact C-N 3.29Å; E1240-Q1242 PolarHBondContact O-N 3.37Å; E1240-I1243 PolarHBondContact O-N 3.3Å; E1240-N1244 WeakPolarHBondContact O-CB 3.44Å; E1240-N1244 VanDerWaalsContact O-CG 3.3Å; E1240-N1244 PolarHBondContact O-N 3.24Å; E1240-N1244 PolarHBondContact O-ND2 3.15Å
1241E90Very high90.1Very high47 Ų4745.5 Ų45.522%0.2222%0.223CC..Hα-helixtrans-61.9-35.2172.1-74.3-67.5120.500112.1I1237 N1244 G1245 N1246 N1249 A1250I1237-E1241 PolarHBondContact O-N 3Å; E1241-N1244 PolarHBondContact O-N 3.46Å; E1241-G1245 PolarHBondContact O-N 3.02Å; E1241-G1245 VanDerWaalsContact O-N 3.1Å; E1241-N1246 HydrophobicContact CB-CB 4.26Å; E1241-N1246 PolarHBondContact O-N 3.42Å; E1241-N1246 WeakPolarHBondContact OE2-CB 3.2Å; E1241-N1246 PolarHBondContact OE2-ND2 3.43Å; E1241-N1249 HydrophobicContact CG-CB 4.36Å; E1241-N1249 WeakPolarHBondContact OE2-CB 3.43Å; E1241-N1249 PolarHBondContact OE2-ND2 3.34Å; E1241-N1249 VanDerWaalsContact OE2-ND2 3.08Å; E1241-A1250 HydrophobicContact CB-CB 3.9Å
1242Q89.1Confident90.3Very high3 Ų348.2 Ų48.21%0.01424%0.237CC..Hα-helixtrans-63.3-46.1172.1-91.9-178.2-30.200112.2A1238 N1239 E1240 N1244 G1245 Y1247 A1250 L1279 S1313A1238-Q1242 WeakPolarHBondContact O-CB 3.44Å; A1238-Q1242 PolarHBondContact O-N 3.01Å; N1239-Q1242 WeakPolarHBondContact O-CB 3.43Å; N1239-Q1242 PolarHBondContact O-N 3.14Å; N1239-Q1242 PolarHBondContact OD1-OE1 3.43Å; E1240-Q1242 VanDerWaalsContact C-N 3.29Å; E1240-Q1242 PolarHBondContact O-N 3.37Å; Q1242-N1244 PolarHBondContact O-N 3.28Å; Q1242-G1245 PolarHBondContact O-N 3.19Å; Q1242-Y1247 HydrophobicContact CB-CD1 4.39Å; Q1242-Y1247 HydrophobicContact CB-CE1 4.35Å; Q1242-Y1247 HydrophobicContact CG-CD1 3.97Å; Q1242-Y1247 HydrophobicContact CG-CE1 4.31Å; Q1242-Y1247 WeakPolarHBondContact O-CE1 3.49Å; Q1242-A1250 HydrophobicContact CG-CB 4.19Å; Q1242-L1279 HydrophobicContact CG-CD1 4.32Å; Q1242-L1279 HydrophobicContact CG-CD2 3.76Å; Q1242-L1279 HydrophobicContact CG-CG 4.38Å; Q1242-L1279 VanDerWaalsContact NE2-CD2 3.33Å; Q1242-L1279 VanDerWaalsContact NE2-CG 3.27Å; Q1242-S1313 PolarHBondContact O-OG 2.72Å
1243I87.3Confident90.5Very high104 Ų10442.8 Ų42.853%0.53322%0.219SC..Hα-helixtrans-60.4-41177.7-68.5163000110N1239 E1240 G1245 P1312 S1313N1239-I1243 VanDerWaalsContact O-CG1 3.28Å; N1239-I1243 WeakPolarHBondContact O-CG1 3.22Å; N1239-I1243 PolarHBondContact O-N 3.16Å; E1240-I1243 PolarHBondContact O-N 3.3Å; I1243-G1245 PolarHBondContact O-N 3.18Å; I1243-P1312 HydrophobicContact CB-CG 4.35Å; I1243-P1312 HydrophobicContact CG1-CG 4.21Å; I1243-P1312 HydrophobicContact CG2-CG 4.34Å; I1243-S1313 PolarHBondContact O-OG 2.87Å
1244N87.9Confident90.6Very high98 Ų9842.3 Ų42.352%0.52422%0.216SC..THydrogen-bonded Turntrans-71.7-9.6177.1-67.2-22.3000114.2E1240 E1241 Q1242E1240-N1244 WeakPolarHBondContact O-CB 3.44Å; E1240-N1244 VanDerWaalsContact O-CG 3.3Å; E1240-N1244 PolarHBondContact O-N 3.24Å; E1240-N1244 PolarHBondContact O-ND2 3.15Å; E1241-N1244 PolarHBondContact O-N 3.46Å; Q1242-N1244 PolarHBondContact O-N 3.28Å
1245G87.9Confident90.7Very high14 Ų1443.1 Ų43.114%0.14422%0.22CC..THydrogen-bonded Turntrans87.14.6178.800000114.8E1241 Q1242 I1243 Y1247 S1313E1241-G1245 PolarHBondContact O-N 3.02Å; E1241-G1245 VanDerWaalsContact O-N 3.1Å; Q1242-G1245 PolarHBondContact O-N 3.19Å; I1243-G1245 PolarHBondContact O-N 3.18Å; G1245-Y1247 VanDerWaalsContact C-N 3.27Å; G1245-Y1247 PolarHBondContact O-N 3.23Å; G1245-Y1247 VanDerWaalsContact O-N 3.08Å; G1245-S1313 VanDerWaalsContact CA-OG 3.31Å; G1245-S1313 WeakPolarHBondContact CA-OG 3.46Å; G1245-S1313 PolarHBondContact N-OG 3.17Å
1246N91.8Very high90.7Very high75 Ų7545.3 Ų45.340%0.40124%0.236SC..  trans-85.958-180-67.9-19.4000112E1241 R1248 N1249 A1250E1241-N1246 HydrophobicContact CB-CB 4.26Å; E1241-N1246 PolarHBondContact O-N 3.42Å; E1241-N1246 WeakPolarHBondContact OE2-CB 3.2Å; E1241-N1246 PolarHBondContact OE2-ND2 3.43Å; N1246-R1248 PolarHBondContact O-N 3.15Å; N1246-R1248 VanDerWaalsContact O-N 3.12Å; N1246-N1249 HydrophobicContact CB-CB 4.37Å; N1246-N1249 PolarHBondContact O-N 3.02Å; N1246-N1249 VanDerWaalsContact O-N 3.15Å; N1246-A1250 PolarHBondContact O-N 3.46Å
1247Y92.9Very high90.9Very high7 Ų740.4 Ų40.43%0.02721%0.211CC..Hα-helixtrans-60.6-28-172.3-54.9-43.3000114.9Q1242 G1245 H1251 L1279 Y1282 F1311 S1313 H1314Q1242-Y1247 HydrophobicContact CB-CD1 4.39Å; Q1242-Y1247 HydrophobicContact CB-CE1 4.35Å; Q1242-Y1247 HydrophobicContact CG-CD1 3.97Å; Q1242-Y1247 HydrophobicContact CG-CE1 4.31Å; Q1242-Y1247 WeakPolarHBondContact O-CE1 3.49Å; G1245-Y1247 VanDerWaalsContact C-N 3.27Å; G1245-Y1247 PolarHBondContact O-N 3.23Å; G1245-Y1247 VanDerWaalsContact O-N 3.08Å; Y1247-H1251 VanDerWaalsContact O-CB 3.23Å; Y1247-H1251 WeakPolarHBondContact O-CB 3.34Å; Y1247-H1251 PolarHBondContact O-N 2.88Å; Y1247-L1279 HydrophobicContact CD1-CD2 4.05Å; Y1247-L1279 HydrophobicContact CG-CD2 4.23Å; Y1247-Y1282 AromaticContact CD2-CD1 3.89Å; Y1247-Y1282 HydrophobicContact CD2-CD1 3.89Å; Y1247-Y1282 AromaticContact CD2-CE1 3.39Å; Y1247-Y1282 HydrophobicContact CD2-CE1 3.39Å; Y1247-Y1282 HydrophobicContact CD2-CE2 4.33Å; Y1247-Y1282 AromaticContact CD2-CZ 3.62Å; Y1247-Y1282 HydrophobicContact CE2-CE1 4.16Å; Y1247-Y1282 HydrophobicContact CE2-CE2 4.33Å; Y1247-Y1282 AromaticContact CE2-CZ 3.93Å; Y1247-Y1282 HydrophobicContact CG-CD1 4.37Å; Y1247-Y1282 HydrophobicContact CG-CE1 4.21Å; Y1247-F1311 HydrophobicContact CD1-CD1 4Å; Y1247-F1311 HydrophobicContact CD1-CE1 4.17Å; Y1247-F1311 HydrophobicContact CD2-CD1 4.24Å; Y1247-F1311 AromaticContact CE1-CD1 3.57Å; Y1247-F1311 HydrophobicContact CE1-CD1 3.57Å; Y1247-F1311 HydrophobicContact CE1-CE1 4.2Å; Y1247-F1311 HydrophobicContact CE1-CG 4.43Å; Y1247-F1311 AromaticContact CE2-CD1 3.73Å; Y1247-F1311 HydrophobicContact CE2-CD1 3.73Å; Y1247-F1311 HydrophobicContact CE2-CE1 4.42Å; Y1247-F1311 HydrophobicContact CG-CD1 4.36Å; Y1247-F1311 HydrophobicContact CG-CE1 4.38Å; Y1247-F1311 AromaticContact CZ-CD1 3.49Å; Y1247-F1311 VanDerWaalsContact CZ-CD1 3.49Å; Y1247-S1313 PolarHBondContact OH-OG 3.33Å; Y1247-H1314 AromaticContact CD2-ND1 3.77Å; Y1247-H1314 HydrophobicContact CE2-CB 3.96Å; Y1247-H1314 AromaticContact CE2-CE1 3.9Å; Y1247-H1314 AromaticContact CE2-CG 3.78Å; Y1247-H1314 AromaticContact CE2-ND1 2.91Å; Y1247-H1314 WeakPolarHBondContact CE2-ND1 3.24Å; Y1247-H1314 AromaticContact CZ-ND1 3.45Å; Y1247-H1314 WeakPolarHBondContact OH-CB 3.16Å; Y1247-H1314 PolarHBondContact OH-ND1 3.49Å
1248R91.7Very high90.8Very high70 Ų7039.7 Ų39.726%0.26421%0.207SC..Hα-helixtrans-72-39.8178.3-169.570.5-161.6-166.84.8112N1246 H1251 D1252 P1462 N1465N1246-R1248 PolarHBondContact O-N 3.15Å; N1246-R1248 VanDerWaalsContact O-N 3.12Å; R1248-H1251 WeakPolarHBondContact O-CB 3.46Å; R1248-H1251 PolarHBondContact O-N 2.88Å; R1248-D1252 IonicContact CZ-OD1 3.69Å; R1248-D1252 IonicContact NE-OD1 2.62Å; R1248-D1252 PolarHBondContact NE-OD1 3.19Å; R1248-D1252 IonicContact NE-OD2 3.42Å; R1248-D1252 PolarHBondContact NE-OD2 3.27Å; R1248-D1252 IonicContact NH2-OD1 2.65Å; R1248-D1252 PolarHBondContact NH2-OD1 3.41Å; R1248-D1252 WeakPolarHBondContact O-CB 3.47Å; R1248-D1252 PolarHBondContact O-N 2.86Å; R1248-P1462 PolarHBondContact NH1-O 2.96Å; R1248-P1462 PolarHBondContact NH2-O 3.49Å; R1248-N1465 PolarHBondContact NH2-ND2 3.36Å; R1248-N1465 PolarHBondContact NH2-OD1 3.26Å; R1248-N1465 VanDerWaalsContact NH2-OD1 3.11Å
1249N90.4Very high90.7Very high90 Ų9042.5 Ų42.548%0.48122%0.22SC..Hα-helixtrans-66.1-44.9176.6-66.2-9.3000110.8E1241 N1246 H1251 D1252 L1253E1241-N1249 HydrophobicContact CG-CB 4.36Å; E1241-N1249 WeakPolarHBondContact OE2-CB 3.43Å; E1241-N1249 PolarHBondContact OE2-ND2 3.34Å; E1241-N1249 VanDerWaalsContact OE2-ND2 3.08Å; N1246-N1249 HydrophobicContact CB-CB 4.37Å; N1246-N1249 PolarHBondContact O-N 3.02Å; N1246-N1249 VanDerWaalsContact O-N 3.15Å; N1249-H1251 VanDerWaalsContact C-N 3.28Å; N1249-H1251 PolarHBondContact O-N 3.38Å; N1249-D1252 PolarHBondContact O-N 2.98Å; N1249-L1253 WeakPolarHBondContact O-CB 3.35Å; N1249-L1253 PolarHBondContact O-N 3.32Å
1250A92.7Very high90.5Very high0 Ų042.6 Ų42.60%022%0.219CC..Hα-helixtrans-57.4-43.8174.300000111.5A1238 E1241 Q1242 N1246 L1254 L1279A1238-A1250 HydrophobicContact CB-CB 4.12Å; A1238-A1250 WeakPolarHBondContact O-CB 3.49Å; E1241-A1250 HydrophobicContact CB-CB 3.9Å; Q1242-A1250 HydrophobicContact CG-CB 4.19Å; N1246-A1250 PolarHBondContact O-N 3.46Å; A1250-L1254 VanDerWaalsContact O-CG 3.32Å; A1250-L1254 WeakPolarHBondContact O-CG 3.38Å; A1250-L1254 PolarHBondContact O-N 2.91Å; A1250-L1254 VanDerWaalsContact O-N 3.13Å; A1250-L1279 HydrophobicContact CB-CD1 3.72Å; A1250-L1279 HydrophobicContact CB-CD2 4.36Å
1251H94.2Very high90.5Very high0 Ų037.6 Ų37.60%020%0.196CC..Hα-helixtrans-61.8-51.8177.1173.2-84000111.8Y1247 R1248 N1249 L1253 L1254 F1255 L1279 H1280 I1283 M1463Y1247-H1251 VanDerWaalsContact O-CB 3.23Å; Y1247-H1251 WeakPolarHBondContact O-CB 3.34Å; Y1247-H1251 PolarHBondContact O-N 2.88Å; R1248-H1251 WeakPolarHBondContact O-CB 3.46Å; R1248-H1251 PolarHBondContact O-N 2.88Å; N1249-H1251 VanDerWaalsContact C-N 3.28Å; N1249-H1251 PolarHBondContact O-N 3.38Å; H1251-L1253 VanDerWaalsContact C-N 3.33Å; H1251-L1253 PolarHBondContact O-N 3Å; H1251-L1254 PolarHBondContact O-N 2.95Å; H1251-F1255 VanDerWaalsContact O-CB 3.24Å; H1251-F1255 WeakPolarHBondContact O-CB 3.39Å; H1251-F1255 PolarHBondContact O-N 3.42Å; H1251-L1279 HydrophobicContact CB-CB 4.18Å; H1251-H1280 AromaticContact NE2-CG 3.94Å; H1251-H1280 AromaticContact NE2-ND1 3.16Å; H1251-H1280 PolarHBondContact NE2-ND1 3.3Å; H1251-H1280 VanDerWaalsContact NE2-ND1 3.16Å; H1251-I1283 HydrophobicContact CB-CD1 3.86Å; H1251-I1283 VanDerWaalsContact CD2-CD1 3.43Å; H1251-I1283 WeakPolarHBondContact CD2-CD1 3.46Å; H1251-I1283 VanDerWaalsContact CG-CD1 3.48Å; H1251-M1463 PolarHBondContact CE1-O 3.37Å; H1251-M1463 VanDerWaalsContact CE1-SD 3.58Å; H1251-M1463 PolarHBondContact NE2-SD 3.05Å
1252D92.3Very high90.2Very high59 Ų5937.9 Ų37.932%0.31620%0.195SC..Hα-helixtrans-68.2-33.5-174-65.2-15.7000111.5R1248 N1249 S1256R1248-D1252 IonicContact CZ-OD1 3.69Å; R1248-D1252 IonicContact NE-OD1 2.62Å; R1248-D1252 PolarHBondContact NE-OD1 3.19Å; R1248-D1252 IonicContact NE-OD2 3.42Å; R1248-D1252 PolarHBondContact NE-OD2 3.27Å; R1248-D1252 IonicContact NH2-OD1 2.65Å; R1248-D1252 PolarHBondContact NH2-OD1 3.41Å; R1248-D1252 WeakPolarHBondContact O-CB 3.47Å; R1248-D1252 PolarHBondContact O-N 2.86Å; N1249-D1252 PolarHBondContact O-N 2.98Å; D1252-S1256 VanDerWaalsContact O-CB 3.29Å; D1252-S1256 WeakPolarHBondContact O-CB 3.43Å; D1252-S1256 PolarHBondContact O-N 2.98Å
1253L91.5Very high89.9Confident38 Ų3845 Ų4520%0.19923%0.228CC..Hα-helixtrans-63.7-52.3171.9-179.773.9000112.1A1234 I1237 A1238 N1249 H1251 F1255 S1256 M1257A1234-L1253 HydrophobicContact CB-CD2 4.4Å; A1234-L1253 HydrophobicContact CB-CG 4.44Å; I1237-L1253 HydrophobicContact CB-CD2 3.65Å; I1237-L1253 HydrophobicContact CG2-CD2 3.51Å; A1238-L1253 HydrophobicContact CB-CD2 4.4Å; N1249-L1253 WeakPolarHBondContact O-CB 3.35Å; N1249-L1253 PolarHBondContact O-N 3.32Å; H1251-L1253 VanDerWaalsContact C-N 3.33Å; H1251-L1253 PolarHBondContact O-N 3Å; L1253-F1255 VanDerWaalsContact C-N 3.32Å; L1253-F1255 PolarHBondContact O-N 3.35Å; L1253-S1256 PolarHBondContact O-N 3.43Å; L1253-M1257 PolarHBondContact O-N 3.06Å
1254L93.2Very high89.6Confident0 Ų045.3 Ų45.30%022%0.223CC..Hα-helixtrans-63.5-41.3179.7-68177.4000110.9V1235 A1238 A1250 H1251 M1257 V1258 M1272 N1275 L1276 L1279V1235-L1254 HydrophobicContact CG2-CD2 4.2Å; A1238-L1254 HydrophobicContact CB-CD1 3.76Å; A1238-L1254 HydrophobicContact CB-CD2 3.65Å; A1238-L1254 HydrophobicContact CB-CG 3.56Å; A1250-L1254 VanDerWaalsContact O-CG 3.32Å; A1250-L1254 WeakPolarHBondContact O-CG 3.38Å; A1250-L1254 PolarHBondContact O-N 2.91Å; A1250-L1254 VanDerWaalsContact O-N 3.13Å; H1251-L1254 PolarHBondContact O-N 2.95Å; L1254-M1257 PolarHBondContact O-N 3.18Å; L1254-V1258 WeakPolarHBondContact O-CB 3.33Å; L1254-V1258 VanDerWaalsContact O-CG2 3.24Å; L1254-V1258 WeakPolarHBondContact O-CG2 3.22Å; L1254-V1258 PolarHBondContact O-N 3.05Å; L1254-M1272 HydrophobicContact CD2-CE 3.61Å; L1254-M1272 HydrophobicContact CD2-CG 4.13Å; L1254-N1275 HydrophobicContact CD1-CB 3.73Å; L1254-L1276 HydrophobicContact CB-CB 4.28Å; L1254-L1276 HydrophobicContact CB-CD1 4.2Å; L1254-L1276 HydrophobicContact CD1-CB 4.46Å; L1254-L1279 HydrophobicContact CD1-CD1 3.86Å
1255F93.1Very high89.3Confident18 Ų1847.4 Ų47.48%0.07923%0.234CC..Hα-helixtrans-60-48.5176.5169.9-106.5000111.8H1251 L1253 M1257 V1258 Q1259 L1276 C1440 F1442 M1463 C1464H1251-F1255 VanDerWaalsContact O-CB 3.24Å; H1251-F1255 WeakPolarHBondContact O-CB 3.39Å; H1251-F1255 PolarHBondContact O-N 3.42Å; L1253-F1255 VanDerWaalsContact C-N 3.32Å; L1253-F1255 PolarHBondContact O-N 3.35Å; F1255-M1257 VanDerWaalsContact C-N 3.32Å; F1255-M1257 PolarHBondContact O-N 2.99Å; F1255-V1258 PolarHBondContact O-N 3.44Å; F1255-Q1259 HydrophobicContact CE2-CG 4.47Å; F1255-Q1259 HydrophobicContact CZ-CG 4.25Å; F1255-Q1259 PolarHBondContact O-N 3.42Å; F1255-L1276 HydrophobicContact CB-CD1 4.08Å; F1255-C1440 HydrophobicContact CE2-CB 3.87Å; F1255-C1440 HydrophobicContact CZ-CB 3.48Å; F1255-C1440 VanDerWaalsContact CZ-CB 3.48Å; F1255-F1442 HydrophobicContact CD2-CD2 4.41Å; F1255-F1442 HydrophobicContact CD2-CE2 4.05Å; F1255-F1442 AromaticContact CE2-CD2 3.98Å; F1255-F1442 HydrophobicContact CE2-CD2 3.98Å; F1255-F1442 HydrophobicContact CE2-CE2 4.04Å; F1255-M1463 HydrophobicContact CD2-CG 3.57Å; F1255-M1463 HydrophobicContact CD2-SD 3.98Å; F1255-M1463 HydrophobicContact CE2-CG 3.66Å; F1255-M1463 HydrophobicContact CG-CG 4.33Å; F1255-M1463 HydrophobicContact CZ-CG 4.48Å; F1255-C1464 HydrophobicContact CE1-CB 3.93Å; F1255-C1464 HydrophobicContact CZ-CB 3.81Å
1256S90.6Very high88.9Confident56 Ų5649.1 Ų49.139%0.39224%0.239SC..Hα-helixtrans-54.4-48.2175.5156.30000111.5D1252 L1253 Q1259 E1260D1252-S1256 VanDerWaalsContact O-CB 3.29Å; D1252-S1256 WeakPolarHBondContact O-CB 3.43Å; D1252-S1256 PolarHBondContact O-N 2.98Å; L1253-S1256 PolarHBondContact O-N 3.43Å; S1256-Q1259 WeakPolarHBondContact O-CB 3.28Å; S1256-Q1259 PolarHBondContact O-N 2.98Å; S1256-E1260 PolarHBondContact O-N 3.04Å
1257M91.5Very high88.4Confident0 Ų049.1 Ų49.10%024%0.237CC..Hα-helixtrans-68.1-40.4-178.7-166.967-149.100112.2F1218 M1222 Y1227 A1230 A1231 A1234 L1253 L1254 F1255 Q1259 E1260 L1261 M1272F1218-M1257 HydrophobicContact CE2-SD 3.72Å; F1218-M1257 HydrophobicContact CZ-SD 3.93Å; M1222-M1257 HydrophobicContact SD-CE 3.97Å; M1222-M1257 HydrophobicContact SD-SD 3.87Å; Y1227-M1257 HydrophobicContact CD1-CE 4.49Å; A1230-M1257 HydrophobicContact CB-CE 4.01Å; A1230-M1257 HydrophobicContact CB-SD 4.4Å; A1231-M1257 HydrophobicContact CB-CE 4.38Å; A1231-M1257 HydrophobicContact CB-CG 4.41Å; A1234-M1257 HydrophobicContact CB-CB 4.42Å; A1234-M1257 HydrophobicContact CB-CG 4.3Å; L1253-M1257 PolarHBondContact O-N 3.06Å; L1254-M1257 PolarHBondContact O-N 3.18Å; F1255-M1257 VanDerWaalsContact C-N 3.32Å; F1255-M1257 PolarHBondContact O-N 2.99Å; M1257-Q1259 VanDerWaalsContact C-N 3.28Å; M1257-Q1259 PolarHBondContact O-N 3.45Å; M1257-E1260 PolarHBondContact O-N 3.27Å; M1257-L1261 HydrophobicContact CE-CD1 4.4Å; M1257-L1261 HydrophobicContact CE-CD2 3.83Å; M1257-L1261 HydrophobicContact CE-CG 3.88Å; M1257-L1261 HydrophobicContact CG-CD1 4.4Å; M1257-L1261 WeakPolarHBondContact O-CG 3.05Å; M1257-L1261 PolarHBondContact O-N 2.99Å; M1257-M1272 HydrophobicContact CB-CE 3.68Å; M1257-M1272 HydrophobicContact CB-SD 4.22Å; M1257-M1272 HydrophobicContact CG-CE 3.61Å; M1257-M1272 HydrophobicContact CG-SD 4.07Å
1258V89.2Confident87.9Confident2 Ų249 Ų491%0.01224%0.237CC..Hα-helixtrans-59.5-41.2173.9167.80000110.8L1254 F1255 R1262 V1268 M1272 L1276L1254-V1258 WeakPolarHBondContact O-CB 3.33Å; L1254-V1258 VanDerWaalsContact O-CG2 3.24Å; L1254-V1258 WeakPolarHBondContact O-CG2 3.22Å; L1254-V1258 PolarHBondContact O-N 3.05Å; F1255-V1258 PolarHBondContact O-N 3.44Å; V1258-R1262 WeakPolarHBondContact O-CB 3.23Å; V1258-R1262 VanDerWaalsContact O-CG 3.32Å; V1258-R1262 WeakPolarHBondContact O-CG 3.35Å; V1258-R1262 PolarHBondContact O-N 3.42Å; V1258-V1268 HydrophobicContact CG1-CG2 4.25Å; V1258-V1268 HydrophobicContact CG2-CG1 3.84Å; V1258-M1272 HydrophobicContact CG2-CG 3.76Å; V1258-M1272 HydrophobicContact CG2-SD 3.86Å; V1258-L1276 HydrophobicContact CB-CD2 4.36Å; V1258-L1276 HydrophobicContact CG2-CD2 3.99Å
1259Q88.5Confident87.6Confident59 Ų5947.7 Ų47.728%0.27624%0.238SC..Hα-helixtrans-64-41.7177-125.4-176.5-10.100111.8F1255 S1256 M1257 R1262 Q1263F1255-Q1259 HydrophobicContact CE2-CG 4.47Å; F1255-Q1259 HydrophobicContact CZ-CG 4.25Å; F1255-Q1259 PolarHBondContact O-N 3.42Å; S1256-Q1259 WeakPolarHBondContact O-CB 3.28Å; S1256-Q1259 PolarHBondContact O-N 2.98Å; M1257-Q1259 VanDerWaalsContact C-N 3.28Å; M1257-Q1259 PolarHBondContact O-N 3.45Å; Q1259-R1262 PolarHBondContact O-N 2.97Å; Q1259-Q1263 WeakPolarHBondContact O-CG 3.43Å; Q1259-Q1263 PolarHBondContact O-N 3.25Å
1260E86.7Confident87.3Confident47 Ų4748.5 Ų48.522%0.2224%0.237CC..Hα-helixtrans-67.9-42179.3-124-172.5139.600113M1222 S1256 M1257 R1262 Q1263 R1264M1222-E1260 WeakPolarHBondContact CE-OE1 3.47Å; M1222-E1260 WeakPolarHBondContact CE-OE2 3.41Å; S1256-E1260 PolarHBondContact O-N 3.04Å; M1257-E1260 PolarHBondContact O-N 3.27Å; E1260-R1262 VanDerWaalsContact C-N 3.35Å; E1260-Q1263 PolarHBondContact O-N 3.3Å; E1260-R1264 PolarHBondContact O-N 3.44Å; E1260-R1264 IonicContact OE1-CZ 3.05Å; E1260-R1264 IonicContact OE1-NH1 3.61Å; E1260-R1264 PolarHBondContact OE1-NH1 2.93Å; E1260-R1264 IonicContact OE1-NH2 3.61Å
1261L87.7Confident86.9Confident3 Ų353.5 Ų53.52%0.01626%0.26CS..Hα-helixtrans-61.5-44.5174.2-69.4173.1000110.8A1231 M1257 R1264 N1265 I1266 V1268 M1272A1231-L1261 HydrophobicContact CB-CD1 4.05Å; M1257-L1261 HydrophobicContact CE-CD1 4.4Å; M1257-L1261 HydrophobicContact CE-CD2 3.83Å; M1257-L1261 HydrophobicContact CE-CG 3.88Å; M1257-L1261 HydrophobicContact CG-CD1 4.4Å; M1257-L1261 WeakPolarHBondContact O-CG 3.05Å; M1257-L1261 PolarHBondContact O-N 2.99Å; L1261-R1264 CarbonylContact O-C 3.56Å; L1261-R1264 PolarHBondContact O-N 3.01Å; L1261-N1265 PolarHBondContact O-N 3.38Å; L1261-I1266 CarbonylContact C-O 3.54Å; L1261-I1266 HydrophobicContact CB-CB 4.46Å; L1261-I1266 HydrophobicContact CD2-CB 3.92Å; L1261-I1266 HydrophobicContact CD2-CD1 4.49Å; L1261-I1266 HydrophobicContact CD2-CG2 3.77Å; L1261-I1266 PolarHBondContact O-N 3.44Å; L1261-V1268 HydrophobicContact CB-CG2 4.12Å; L1261-V1268 HydrophobicContact CD1-CG2 4.34Å; L1261-M1272 HydrophobicContact CD1-SD 4.08Å
1262R83.4Confident86.7Confident52 Ų5253.5 Ų53.520%0.19626%0.26CS..Hα-helixtrans-65.1-42.8177.7-74-177.472.9-142.2-4.2112.7V1258 Q1259 E1260 R1264 N1265 V1268 W1486V1258-R1262 WeakPolarHBondContact O-CB 3.23Å; V1258-R1262 VanDerWaalsContact O-CG 3.32Å; V1258-R1262 WeakPolarHBondContact O-CG 3.35Å; V1258-R1262 PolarHBondContact O-N 3.42Å; Q1259-R1262 PolarHBondContact O-N 2.97Å; E1260-R1262 VanDerWaalsContact C-N 3.35Å; R1262-R1264 PolarHBondContact O-N 3.42Å; R1262-N1265 PolarHBondContact O-N 2.83Å; R1262-N1265 VanDerWaalsContact O-N 3.09Å; R1262-V1268 HydrophobicContact CG-CG2 4.15Å; R1262-W1486 VanDerWaalsContact CZ-CE2 3.4Å
1263Q82.9Confident86.5Confident153 Ų15351.1 Ų51.172%0.71525%0.247SC*.Hα-helixtrans-60.3-28.3176.6-82.3-177.8-200112.9Q1259 E1260Q1259-Q1263 WeakPolarHBondContact O-CG 3.43Å; Q1259-Q1263 PolarHBondContact O-N 3.25Å; E1260-Q1263 PolarHBondContact O-N 3.3Å
1264R81.3Confident86.4Confident110 Ų11053.3 Ų53.342%0.41526%0.256SS..THydrogen-bonded Turntrans-97.57.9178.5-65-172.1174.5118.4-3.3114Y1227 E1260 L1261 R1262 I1266Y1227-R1264 VanDerWaalsContact CE1-CZ 3.44Å; Y1227-R1264 PolarHBondContact OH-NE 3.27Å; Y1227-R1264 VanDerWaalsContact OH-NE 3.1Å; Y1227-R1264 PolarHBondContact OH-NH1 2.86Å; Y1227-R1264 PolarHBondContact OH-NH2 2.86Å; E1260-R1264 PolarHBondContact O-N 3.44Å; E1260-R1264 IonicContact OE1-CZ 3.05Å; E1260-R1264 IonicContact OE1-NH1 3.61Å; E1260-R1264 PolarHBondContact OE1-NH1 2.93Å; E1260-R1264 IonicContact OE1-NH2 3.61Å; L1261-R1264 CarbonylContact O-C 3.56Å; L1261-R1264 PolarHBondContact O-N 3.01Å; R1262-R1264 PolarHBondContact O-N 3.42Å; R1264-I1266 HydrophobicContact CB-CD1 3.93Å; R1264-I1266 HydrophobicContact CB-CG1 3.97Å; R1264-I1266 PolarHBondContact O-N 2.97Å
1265N81.2Confident86.3Confident143 Ų14353.3 Ų53.377%0.76526%0.256SS*.THydrogen-bonded Turntrans53.435.3-174.5-69.3-32.7000113.8L1261 R1262L1261-N1265 PolarHBondContact O-N 3.38Å; R1262-N1265 PolarHBondContact O-N 2.83Å; R1262-N1265 VanDerWaalsContact O-N 3.09Å
1266I80.2Confident86.3Confident49 Ų4952.4 Ų52.425%0.25125%0.252SS..PPolyproline II helixtrans-97.8133.1175.6-55.5176.4000108.5Y1227 L1261 R1264 V1268Y1227-I1266 HydrophobicContact CD2-CD1 3.25Å; Y1227-I1266 HydrophobicContact CE2-CD1 4.04Å; Y1227-I1266 HydrophobicContact CG-CD1 3.82Å; L1261-I1266 CarbonylContact C-O 3.54Å; L1261-I1266 HydrophobicContact CB-CB 4.46Å; L1261-I1266 HydrophobicContact CD2-CB 3.92Å; L1261-I1266 HydrophobicContact CD2-CD1 4.49Å; L1261-I1266 HydrophobicContact CD2-CG2 3.77Å; L1261-I1266 PolarHBondContact O-N 3.44Å; R1264-I1266 HydrophobicContact CB-CD1 3.93Å; R1264-I1266 HydrophobicContact CB-CG1 3.97Å; R1264-I1266 PolarHBondContact O-N 2.97Å; I1266-V1268 PolarHBondContact O-N 3.35Å
1267H81Confident86.4Confident75 Ų7550.3 Ų50.335%0.34724%0.237SC..PPolyproline II helixtrans-58.7133.2180-175.2-77.6000111.5S1489H1267-S1489 PolarHBondContact CD2-O 2.96Å; H1267-S1489 PolarHBondContact CE1-O 3.06Å; H1267-S1489 PolarHBondContact NE2-O 3.43Å; H1267-S1489 VanDerWaalsContact NE2-O 3.08Å
1268V83Confident86.5Confident5 Ų550.9 Ų50.93%0.0324%0.24CC..PPolyproline II helixtrans-81.3123.6178.6178.10000108.8V1258 L1261 R1262 I1266 F1270 M1272 F1273V1258-V1268 HydrophobicContact CG1-CG2 4.25Å; V1258-V1268 HydrophobicContact CG2-CG1 3.84Å; L1261-V1268 HydrophobicContact CB-CG2 4.12Å; L1261-V1268 HydrophobicContact CD1-CG2 4.34Å; R1262-V1268 HydrophobicContact CG-CG2 4.15Å; I1266-V1268 PolarHBondContact O-N 3.35Å; V1268-F1270 PolarHBondContact O-N 3.28Å; V1268-M1272 HydrophobicContact CG1-CG 4.27Å; V1268-M1272 HydrophobicContact CG1-SD 4.43Å; V1268-F1273 HydrophobicContact CG1-CB 4.22Å
1269P85.1Confident86.7Confident43 Ų4350.8 Ų50.828%0.27924%0.239SC..PPolyproline II helixtrans-56.2134.6176-24.634.1000111.7A1231 E1271 M1272 F1273A1231-P1269 HydrophobicContact CB-CG 4.03Å; P1269-E1271 VanDerWaalsContact C-N 3.3Å; P1269-E1271 PolarHBondContact O-N 3.08Å; P1269-M1272 HydrophobicContact CB-CB 4.28Å; P1269-M1272 WeakPolarHBondContact O-CB 3.48Å; P1269-M1272 PolarHBondContact O-N 2.7Å; P1269-M1272 VanDerWaalsContact O-N 3.08Å; P1269-F1273 PolarHBondContact O-N 3.38Å; P1269-F1273 VanDerWaalsContact O-N 3.14Å
1270F83.4Confident87Confident107 Ų10748 Ų4847%0.46923%0.226SC..Hα-helixtrans-54.6-44.7-177.5176.7-96000112.3V1268 M1272 F1273 E1274 T1418V1268-F1270 PolarHBondContact O-N 3.28Å; F1270-M1272 VanDerWaalsContact C-N 3.3Å; F1270-M1272 PolarHBondContact O-N 3.2Å; F1270-F1273 PolarHBondContact O-N 2.92Å; F1270-F1273 VanDerWaalsContact O-N 3.1Å; F1270-E1274 HydrophobicContact CE1-CB 4.34Å; F1270-E1274 HydrophobicContact CE1-CG 4.5Å; F1270-E1274 WeakPolarHBondContact O-CB 3Å; F1270-E1274 PolarHBondContact O-N 3.25Å; F1270-T1418 HydrophobicContact CE2-CG2 4.39Å
1271E85.1Confident87.4Confident105 Ų10545.7 Ų45.749%0.49122%0.216SC..Hα-helixtrans-60.5-37.7179.4-168.4179.7-168.100112.7V1235 P1269 N1275V1235-E1271 HydrophobicContact CG1-CG 4.4Å; P1269-E1271 VanDerWaalsContact C-N 3.3Å; P1269-E1271 PolarHBondContact O-N 3.08Å; E1271-N1275 WeakPolarHBondContact O-CB 3.48Å; E1271-N1275 PolarHBondContact O-N 2.9Å
1272M90.4Very high87.7Confident0 Ų046.6 Ų46.60%022%0.219CC..Hα-helixtrans-65.6-44174.9166.2169.2-9100111A1231 A1234 V1235 L1254 M1257 V1258 L1261 V1268 P1269 F1270 L1276A1231-M1272 HydrophobicContact CB-CE 4.3Å; A1231-M1272 HydrophobicContact CB-SD 4.34Å; A1231-M1272 WeakPolarHBondContact O-CE 3.35Å; A1234-M1272 HydrophobicContact CB-CE 3.72Å; V1235-M1272 HydrophobicContact CG2-CB 3.71Å; V1235-M1272 HydrophobicContact CG2-CE 4.17Å; V1235-M1272 HydrophobicContact CG2-CG 4.47Å; L1254-M1272 HydrophobicContact CD2-CE 3.61Å; L1254-M1272 HydrophobicContact CD2-CG 4.13Å; M1257-M1272 HydrophobicContact CB-CE 3.68Å; M1257-M1272 HydrophobicContact CB-SD 4.22Å; M1257-M1272 HydrophobicContact CG-CE 3.61Å; M1257-M1272 HydrophobicContact CG-SD 4.07Å; V1258-M1272 HydrophobicContact CG2-CG 3.76Å; V1258-M1272 HydrophobicContact CG2-SD 3.86Å; L1261-M1272 HydrophobicContact CD1-SD 4.08Å; V1268-M1272 HydrophobicContact CG1-CG 4.27Å; V1268-M1272 HydrophobicContact CG1-SD 4.43Å; P1269-M1272 HydrophobicContact CB-CB 4.28Å; P1269-M1272 WeakPolarHBondContact O-CB 3.48Å; P1269-M1272 PolarHBondContact O-N 2.7Å; P1269-M1272 VanDerWaalsContact O-N 3.08Å; F1270-M1272 VanDerWaalsContact C-N 3.3Å; F1270-M1272 PolarHBondContact O-N 3.2Å; M1272-L1276 WeakPolarHBondContact O-CB 3.47Å; M1272-L1276 PolarHBondContact O-N 2.95Å
1273F88.4Confident88.2Confident8 Ų845.1 Ų45.14%0.03522%0.215CC..Hα-helixtrans-66.9-40.8178.4-172.7-104.3000112.2V1268 P1269 F1270 L1276 T1277 Y1421 F1442 W1486 L1490V1268-F1273 HydrophobicContact CG1-CB 4.22Å; P1269-F1273 PolarHBondContact O-N 3.38Å; P1269-F1273 VanDerWaalsContact O-N 3.14Å; F1270-F1273 PolarHBondContact O-N 2.92Å; F1270-F1273 VanDerWaalsContact O-N 3.1Å; F1273-L1276 PolarHBondContact O-N 3.4Å; F1273-T1277 WeakPolarHBondContact O-CB 3.29Å; F1273-T1277 PolarHBondContact O-N 2.82Å; F1273-T1277 PolarHBondContact O-OG1 3.48Å; F1273-Y1421 HydrophobicContact CE1-CD1 4.42Å; F1273-Y1421 HydrophobicContact CE1-CE1 4.05Å; F1273-Y1421 AromaticContact CE2-CE1 3.95Å; F1273-Y1421 HydrophobicContact CE2-CE1 3.95Å; F1273-Y1421 AromaticContact CZ-CD1 3.97Å; F1273-Y1421 HydrophobicContact CZ-CD1 3.97Å; F1273-Y1421 AromaticContact CZ-CE1 3.44Å; F1273-Y1421 HydrophobicContact CZ-CE1 3.44Å; F1273-Y1421 VanDerWaalsContact CZ-CE1 3.44Å; F1273-F1442 HydrophobicContact CE2-CZ 4.48Å; F1273-W1486 HydrophobicContact CD2-CZ3 4.44Å; F1273-W1486 HydrophobicContact CE2-CE3 4.49Å; F1273-W1486 HydrophobicContact CE2-CH2 4.27Å; F1273-W1486 AromaticContact CE2-CZ3 3.54Å; F1273-W1486 HydrophobicContact CE2-CZ3 3.54Å; F1273-W1486 HydrophobicContact CZ-CZ3 4.04Å; F1273-L1490 HydrophobicContact CB-CD2 4.16Å; F1273-L1490 HydrophobicContact CD1-CD2 3.27Å; F1273-L1490 HydrophobicContact CD2-CD2 3.8Å; F1273-L1490 HydrophobicContact CE1-CD1 3.96Å; F1273-L1490 HydrophobicContact CE1-CD2 3.44Å; F1273-L1490 VanDerWaalsContact CE1-CD2 3.44Å; F1273-L1490 HydrophobicContact CE1-CG 4.37Å; F1273-L1490 HydrophobicContact CE2-CD2 4Å; F1273-L1490 HydrophobicContact CG-CD2 3.44Å; F1273-L1490 VanDerWaalsContact CG-CD2 3.44Å; F1273-L1490 HydrophobicContact CZ-CD1 4.02Å; F1273-L1490 HydrophobicContact CZ-CD2 3.79Å
1274E89Confident88.7Confident84 Ų8437.9 Ų37.939%0.39318%0.181SC..Hα-helixtrans-63.4-46.5177.4-166.6-176.9-154.800111.3F1270 L1276 T1277 L1278F1270-E1274 HydrophobicContact CE1-CB 4.34Å; F1270-E1274 HydrophobicContact CE1-CG 4.5Å; F1270-E1274 WeakPolarHBondContact O-CB 3Å; F1270-E1274 PolarHBondContact O-N 3.25Å; E1274-L1276 PolarHBondContact O-N 3.43Å; E1274-T1277 WeakPolarHBondContact O-CB 3.34Å; E1274-T1277 PolarHBondContact O-N 3.33Å; E1274-L1278 PolarHBondContact O-N 3.26Å
1275N90.9Very high89.2Confident0 Ų032.8 Ų32.80%016%0.162CC..Hα-helixtrans-61.8-42.6175.2-89.5-6.6000112.2N1239 L1254 E1271 T1277 L1278 L1279 K1310N1239-N1275 PolarHBondContact OD1-ND2 3.3Å; L1254-N1275 HydrophobicContact CD1-CB 3.73Å; E1271-N1275 WeakPolarHBondContact O-CB 3.48Å; E1271-N1275 PolarHBondContact O-N 2.9Å; N1275-T1277 VanDerWaalsContact C-N 3.33Å; N1275-T1277 PolarHBondContact O-N 2.94Å; N1275-L1278 PolarHBondContact O-N 2.95Å; N1275-L1279 WeakPolarHBondContact O-CB 3.38Å; N1275-L1279 WeakPolarHBondContact O-CG 3.44Å; N1275-L1279 PolarHBondContact O-N 3.06Å; N1275-K1310 PolarHBondContact OD1-NZ 3.26Å
1276L93.8Very high89.7Confident0 Ų032 Ų320%015%0.152CC..Hα-helixtrans-62.3-42.4175179.761.7000111.1L1254 F1255 V1258 M1272 F1273 E1274 L1278 L1279 H1280 F1442 M1463L1254-L1276 HydrophobicContact CB-CB 4.28Å; L1254-L1276 HydrophobicContact CB-CD1 4.2Å; L1254-L1276 HydrophobicContact CD1-CB 4.46Å; F1255-L1276 HydrophobicContact CB-CD1 4.08Å; V1258-L1276 HydrophobicContact CB-CD2 4.36Å; V1258-L1276 HydrophobicContact CG2-CD2 3.99Å; M1272-L1276 WeakPolarHBondContact O-CB 3.47Å; M1272-L1276 PolarHBondContact O-N 2.95Å; F1273-L1276 PolarHBondContact O-N 3.4Å; E1274-L1276 PolarHBondContact O-N 3.43Å; L1276-L1278 PolarHBondContact O-N 3.41Å; L1276-L1279 PolarHBondContact O-N 2.87Å; L1276-H1280 WeakPolarHBondContact O-CB 3.42Å; L1276-H1280 PolarHBondContact O-N 2.87Å; L1276-F1442 HydrophobicContact CD2-CE2 4.48Å; L1276-F1442 HydrophobicContact CD2-CZ 4.07Å; L1276-M1463 HydrophobicContact CD1-SD 4.24Å
1277T92.6Very high90.2Very high12 Ų1231.2 Ų31.27%0.07415%0.149CC..Hα-helixtrans-60.6-44.2178-55.70000111.6F1273 E1274 N1275 S1281 L1410 Y1421F1273-T1277 WeakPolarHBondContact O-CB 3.29Å; F1273-T1277 PolarHBondContact O-N 2.82Å; F1273-T1277 PolarHBondContact O-OG1 3.48Å; E1274-T1277 WeakPolarHBondContact O-CB 3.34Å; E1274-T1277 PolarHBondContact O-N 3.33Å; N1275-T1277 VanDerWaalsContact C-N 3.33Å; N1275-T1277 PolarHBondContact O-N 2.94Å; T1277-S1281 WeakPolarHBondContact O-CB 3.47Å; T1277-S1281 PolarHBondContact O-N 3.45Å; T1277-S1281 PolarHBondContact O-OG 2.92Å; T1277-L1410 HydrophobicContact CG2-CD1 3.68Å; T1277-Y1421 HydrophobicContact CG2-CD1 3.81Å; T1277-Y1421 HydrophobicContact CG2-CE1 3.69Å; T1277-Y1421 WeakPolarHBondContact OG1-CE1 3.37Å
1278L92.4Very high90.7Very high11 Ų1127.7 Ų27.76%0.05813%0.133CC..Hα-helixtrans-64.9-47.7177.2-98.8154.6000112.4E1274 N1275 L1276 H1280 S1281 Y1282 F1311E1274-L1278 PolarHBondContact O-N 3.26Å; N1275-L1278 PolarHBondContact O-N 2.95Å; L1276-L1278 PolarHBondContact O-N 3.41Å; L1278-H1280 VanDerWaalsContact C-N 3.33Å; L1278-H1280 PolarHBondContact O-N 3.25Å; L1278-S1281 PolarHBondContact O-N 3.48Å; L1278-Y1282 PolarHBondContact O-N 3.31Å; L1278-F1311 HydrophobicContact CB-CZ 4.48Å; L1278-F1311 HydrophobicContact CD2-CE2 3.99Å; L1278-F1311 HydrophobicContact CD2-CZ 4.44Å
1279L94.1Very high91Very high0 Ų029.9 Ų29.90%015%0.147CC..Hα-helixtrans-62.7-40.9176.7-77.2166.3000112.1Q1242 Y1247 A1250 H1251 L1254 N1275 L1276 Y1282 I1283 F1311Q1242-L1279 HydrophobicContact CG-CD1 4.32Å; Q1242-L1279 HydrophobicContact CG-CD2 3.76Å; Q1242-L1279 HydrophobicContact CG-CG 4.38Å; Q1242-L1279 VanDerWaalsContact NE2-CD2 3.33Å; Q1242-L1279 VanDerWaalsContact NE2-CG 3.27Å; Y1247-L1279 HydrophobicContact CD1-CD2 4.05Å; Y1247-L1279 HydrophobicContact CG-CD2 4.23Å; A1250-L1279 HydrophobicContact CB-CD1 3.72Å; A1250-L1279 HydrophobicContact CB-CD2 4.36Å; H1251-L1279 HydrophobicContact CB-CB 4.18Å; L1254-L1279 HydrophobicContact CD1-CD1 3.86Å; N1275-L1279 WeakPolarHBondContact O-CB 3.38Å; N1275-L1279 WeakPolarHBondContact O-CG 3.44Å; N1275-L1279 PolarHBondContact O-N 3.06Å; L1276-L1279 PolarHBondContact O-N 2.87Å; L1279-Y1282 WeakPolarHBondContact O-CB 3.31Å; L1279-Y1282 PolarHBondContact O-N 3.23Å; L1279-I1283 WeakPolarHBondContact O-CG1 3.31Å; L1279-I1283 PolarHBondContact O-N 2.88Å; L1279-I1283 VanDerWaalsContact O-N 3.07Å; L1279-F1311 HydrophobicContact CD2-CE1 4.24Å
1280H95.3Very high91.2Very high0 Ų036.8 Ų36.80%017%0.172CC..Hα-helixtrans-66.5-42.2177.2-167.771000111.6H1251 L1276 L1278 Y1282 I1283 L1284 Y1421 V1423 M1463H1251-H1280 AromaticContact NE2-CG 3.94Å; H1251-H1280 AromaticContact NE2-ND1 3.16Å; H1251-H1280 PolarHBondContact NE2-ND1 3.3Å; H1251-H1280 VanDerWaalsContact NE2-ND1 3.16Å; L1276-H1280 WeakPolarHBondContact O-CB 3.42Å; L1276-H1280 PolarHBondContact O-N 2.87Å; L1278-H1280 VanDerWaalsContact C-N 3.33Å; L1278-H1280 PolarHBondContact O-N 3.25Å; H1280-Y1282 VanDerWaalsContact C-N 3.27Å; H1280-Y1282 PolarHBondContact O-N 2.65Å; H1280-I1283 PolarHBondContact O-N 3.35Å; H1280-I1283 VanDerWaalsContact O-N 3.09Å; H1280-L1284 WeakPolarHBondContact O-CG 3.49Å; H1280-L1284 PolarHBondContact O-N 3.27Å; H1280-Y1421 HydrophobicContact CB-CE2 4.49Å; H1280-Y1421 AromaticContact CD2-CE2 3.58Å; H1280-V1423 PolarHBondContact NE2-O 3.28Å; H1280-V1423 VanDerWaalsContact NE2-O 3.09Å; H1280-M1463 HydrophobicContact CB-CE 3.97Å; H1280-M1463 WeakPolarHBondContact CE1-CE 3.25Å; H1280-M1463 WeakPolarHBondContact ND1-CE 3.45Å; H1280-M1463 PolarHBondContact ND1-SD 2.89Å; H1280-M1463 VanDerWaalsContact ND1-SD 3.37Å
1281S94.6Very high91.3Very high0 Ų035 Ų350%017%0.168CC..Hα-helixtrans-58.8-39174.3-570000111.4T1277 L1278 L1284 A1285 R1303T1277-S1281 WeakPolarHBondContact O-CB 3.47Å; T1277-S1281 PolarHBondContact O-N 3.45Å; T1277-S1281 PolarHBondContact O-OG 2.92Å; L1278-S1281 PolarHBondContact O-N 3.48Å; S1281-L1284 PolarHBondContact O-N 2.77Å; S1281-A1285 WeakPolarHBondContact O-CB 3.26Å; S1281-A1285 PolarHBondContact O-N 3.43Å; S1281-R1303 PolarHBondContact OG-NH1 2.88Å
1282Y94.2Very high91.3Very high22 Ų2232 Ų329%0.08617%0.165CC..Hα-helixtrans-64.4-40.2173.7173-94.9000113.2Y1247 L1278 L1279 H1280 K1286 V1304 F1311 I1318Y1247-Y1282 AromaticContact CD2-CD1 3.89Å; Y1247-Y1282 HydrophobicContact CD2-CD1 3.89Å; Y1247-Y1282 AromaticContact CD2-CE1 3.39Å; Y1247-Y1282 HydrophobicContact CD2-CE1 3.39Å; Y1247-Y1282 HydrophobicContact CD2-CE2 4.33Å; Y1247-Y1282 AromaticContact CD2-CZ 3.62Å; Y1247-Y1282 HydrophobicContact CE2-CE1 4.16Å; Y1247-Y1282 HydrophobicContact CE2-CE2 4.33Å; Y1247-Y1282 AromaticContact CE2-CZ 3.93Å; Y1247-Y1282 HydrophobicContact CG-CD1 4.37Å; Y1247-Y1282 HydrophobicContact CG-CE1 4.21Å; L1278-Y1282 PolarHBondContact O-N 3.31Å; L1279-Y1282 WeakPolarHBondContact O-CB 3.31Å; L1279-Y1282 PolarHBondContact O-N 3.23Å; H1280-Y1282 VanDerWaalsContact C-N 3.27Å; H1280-Y1282 PolarHBondContact O-N 2.65Å; Y1282-K1286 HydrophobicContact CE1-CD 4.3Å; Y1282-K1286 PolarHBondContact O-N 3.15Å; Y1282-K1286 VanDerWaalsContact OH-CE 3.27Å; Y1282-K1286 WeakPolarHBondContact OH-CE 3.31Å; Y1282-K1286 PolarHBondContact OH-NZ 3.11Å; Y1282-V1304 HydrophobicContact CD2-CG1 4.33Å; Y1282-F1311 HydrophobicContact CD2-CE1 4.4Å; Y1282-F1311 HydrophobicContact CG-CE1 4.15Å; Y1282-I1318 HydrophobicContact CD2-CD1 4.03Å; Y1282-I1318 HydrophobicContact CD2-CG1 4.24Å; Y1282-I1318 HydrophobicContact CE2-CD1 3.81Å; Y1282-I1318 HydrophobicContact CE2-CG1 3.77Å
1283I93.5Very high91.3Very high20 Ų2035 Ų3510%0.10318%0.179CC..Hα-helixtrans-66.6-45.6175.8-68.8164.5000110.4H1251 L1279 H1280 A1285 K1286 V1287 P1462H1251-I1283 HydrophobicContact CB-CD1 3.86Å; H1251-I1283 VanDerWaalsContact CD2-CD1 3.43Å; H1251-I1283 WeakPolarHBondContact CD2-CD1 3.46Å; H1251-I1283 VanDerWaalsContact CG-CD1 3.48Å; L1279-I1283 WeakPolarHBondContact O-CG1 3.31Å; L1279-I1283 PolarHBondContact O-N 2.88Å; L1279-I1283 VanDerWaalsContact O-N 3.07Å; H1280-I1283 PolarHBondContact O-N 3.35Å; H1280-I1283 VanDerWaalsContact O-N 3.09Å; I1283-A1285 VanDerWaalsContact C-N 3.34Å; I1283-A1285 PolarHBondContact O-N 2.99Å; I1283-K1286 WeakPolarHBondContact O-CB 3.21Å; I1283-K1286 PolarHBondContact O-N 3.25Å; I1283-K1286 VanDerWaalsContact O-N 3.14Å; I1283-V1287 WeakPolarHBondContact O-CG2 3.49Å; I1283-V1287 PolarHBondContact O-N 3.5Å; I1283-V1287 VanDerWaalsContact O-N 3.12Å; I1283-P1462 HydrophobicContact CG2-CB 4.48Å
1284L93.6Very high91.4Very high1 Ų137.7 Ų37.71%0.00519%0.192CC..Hα-helixtrans-60.2-41.9177.7-75-177.6000112.1H1280 S1281 K1286 V1287 H1288 M1300 I1424 P1462H1280-L1284 WeakPolarHBondContact O-CG 3.49Å; H1280-L1284 PolarHBondContact O-N 3.27Å; S1281-L1284 PolarHBondContact O-N 2.77Å; L1284-K1286 VanDerWaalsContact C-N 3.27Å; L1284-K1286 PolarHBondContact O-N 3.34Å; L1284-V1287 PolarHBondContact O-N 3.15Å; L1284-H1288 PolarHBondContact O-CD2 3.12Å; L1284-H1288 PolarHBondContact O-N 3.5Å; L1284-M1300 HydrophobicContact CB-CG 4.16Å; L1284-I1424 WeakPolarHBondContact CD2-O 3.12Å; L1284-P1462 HydrophobicContact CD2-CB 3.91Å; L1284-P1462 HydrophobicContact CD2-CG 3.83Å
1285A92.3Very high91.5Very high3 Ų336.9 Ų36.93%0.02519%0.19CC..Hα-helixtrans-52.2-46.1173.800000112.1S1281 I1283 V1289 M1300 L1301S1281-A1285 WeakPolarHBondContact O-CB 3.26Å; S1281-A1285 PolarHBondContact O-N 3.43Å; I1283-A1285 VanDerWaalsContact C-N 3.34Å; I1283-A1285 PolarHBondContact O-N 2.99Å; A1285-V1289 WeakPolarHBondContact O-CB 3.24Å; A1285-V1289 WeakPolarHBondContact O-CG2 3.45Å; A1285-V1289 PolarHBondContact O-N 2.87Å; A1285-M1300 HydrophobicContact CB-CB 3.94Å; A1285-L1301 HydrophobicContact CB-CD2 3.9Å; A1285-L1301 HydrophobicContact CB-CG 3.77Å
1286K91.5Very high91.5Very high128 Ų12838 Ų3856%0.55720%0.196SC*.Hα-helixtrans-64.3-39.5176.2-82.7179.7168.2173.90112.7Y1282 I1283 L1284 K1290Y1282-K1286 HydrophobicContact CE1-CD 4.3Å; Y1282-K1286 PolarHBondContact O-N 3.15Å; Y1282-K1286 VanDerWaalsContact OH-CE 3.27Å; Y1282-K1286 WeakPolarHBondContact OH-CE 3.31Å; Y1282-K1286 PolarHBondContact OH-NZ 3.11Å; I1283-K1286 WeakPolarHBondContact O-CB 3.21Å; I1283-K1286 PolarHBondContact O-N 3.25Å; I1283-K1286 VanDerWaalsContact O-N 3.14Å; L1284-K1286 VanDerWaalsContact C-N 3.27Å; L1284-K1286 PolarHBondContact O-N 3.34Å; K1286-K1290 WeakPolarHBondContact O-CB 3.45Å; K1286-K1290 PolarHBondContact O-N 3.14Å; K1286-K1290 VanDerWaalsContact O-N 3.13Å
1287V90.8Very high91.4Very high31 Ų3138 Ų3819%0.18820%0.196CC..Hα-helixtrans-64.9-51.4178.7174.80000110.7I1283 L1284 V1289 K1290 N1291 Y1452I1283-V1287 WeakPolarHBondContact O-CG2 3.49Å; I1283-V1287 PolarHBondContact O-N 3.5Å; I1283-V1287 VanDerWaalsContact O-N 3.12Å; L1284-V1287 PolarHBondContact O-N 3.15Å; V1287-V1289 PolarHBondContact O-N 3.07Å; V1287-K1290 WeakPolarHBondContact O-CB 3.24Å; V1287-K1290 PolarHBondContact O-N 3.3Å; V1287-N1291 PolarHBondContact O-N 2.96Å; V1287-Y1452 HydrophobicContact CG1-CE2 3.78Å
1288H90.9Very high91.4Very high2 Ų237.4 Ų37.41%0.00919%0.192CC..Hα-helixtrans-63.8-42.2-179.4-66.3-60.3000112.6L1284 K1290 N1291 G1292 E1293 L1296 I1424L1284-H1288 PolarHBondContact O-CD2 3.12Å; L1284-H1288 PolarHBondContact O-N 3.5Å; H1288-K1290 VanDerWaalsContact C-N 3.28Å; H1288-K1290 PolarHBondContact O-N 3.48Å; H1288-N1291 CarbonylContact O-C 3.53Å; H1288-N1291 PolarHBondContact O-N 3.37Å; H1288-N1291 VanDerWaalsContact O-N 3.13Å; H1288-G1292 PolarHBondContact O-N 3.12Å; H1288-G1292 VanDerWaalsContact O-N 3.1Å; H1288-E1293 HydrophobicContact CB-CB 4.14Å; H1288-E1293 IonicContact CE1-OE2 3.11Å; H1288-E1293 IonicContact CG-OE2 2.79Å; H1288-E1293 IonicContact ND1-OE2 2.84Å; H1288-E1293 PolarHBondContact ND1-OE2 3.34Å; H1288-E1293 PolarHBondContact O-N 3.36Å; H1288-L1296 HydrophobicContact CB-CB 4.08Å; H1288-I1424 PolarHBondContact CE1-O 3Å; H1288-I1424 PolarHBondContact NE2-O 3.46Å
1289V89.8Confident91.4Very high51 Ų5138.3 Ų38.331%0.30920%0.195SC..Hα-helixtrans-62-37.7176.4171.90000111.2A1285 V1287 N1291 G1292 E1325A1285-V1289 WeakPolarHBondContact O-CB 3.24Å; A1285-V1289 WeakPolarHBondContact O-CG2 3.45Å; A1285-V1289 PolarHBondContact O-N 2.87Å; V1287-V1289 PolarHBondContact O-N 3.07Å; V1289-N1291 VanDerWaalsContact C-N 3.33Å; V1289-G1292 PolarHBondContact O-N 2.99Å; V1289-E1325 HydrophobicContact CG2-CG 3.8Å
1290K88.4Confident91.4Very high187 Ų18738.3 Ų38.381%0.81320%0.195SC*.Hα-helixtrans-68.5-32.4176.2-166-178.6-179.6-172.80112.4K1286 V1287 H1288 G1292K1286-K1290 WeakPolarHBondContact O-CB 3.45Å; K1286-K1290 PolarHBondContact O-N 3.14Å; K1286-K1290 VanDerWaalsContact O-N 3.13Å; V1287-K1290 WeakPolarHBondContact O-CB 3.24Å; V1287-K1290 PolarHBondContact O-N 3.3Å; H1288-K1290 VanDerWaalsContact C-N 3.28Å; H1288-K1290 PolarHBondContact O-N 3.48Å; K1290-G1292 VanDerWaalsContact C-N 3.32Å
1291N87Confident91.3Very high70 Ų7038.8 Ų38.837%0.37420%0.197SC..THydrogen-bonded Turntrans-84.5-0.4177.7-69.9-3.7000113.7V1287 H1288 V1289 E1293V1287-N1291 PolarHBondContact O-N 2.96Å; H1288-N1291 CarbonylContact O-C 3.53Å; H1288-N1291 PolarHBondContact O-N 3.37Å; H1288-N1291 VanDerWaalsContact O-N 3.13Å; V1289-N1291 VanDerWaalsContact C-N 3.33Å; N1291-E1293 VanDerWaalsContact C-N 3.31Å
1292G85.1Confident91.2Very high43 Ų4340 Ų4044%0.44320%0.203SC..THydrogen-bonded Turntrans79.97-179.300000114.8H1288 V1289 K1290 H1294H1288-G1292 PolarHBondContact O-N 3.12Å; H1288-G1292 VanDerWaalsContact O-N 3.1Å; V1289-G1292 PolarHBondContact O-N 2.99Å; K1290-G1292 VanDerWaalsContact C-N 3.32Å; G1292-H1294 VanDerWaalsContact C-N 3.32Å; G1292-H1294 PolarHBondContact O-CD2 3.41Å; G1292-H1294 PolarHBondContact O-N 3Å
1293E89.2Confident91.1Very high61 Ų6140.6 Ų40.629%0.28521%0.205SC..  trans-83.973.2178.6-66.4-177.9162.200110.9H1288 N1291 L1295 L1296 G1297H1288-E1293 HydrophobicContact CB-CB 4.14Å; H1288-E1293 IonicContact CE1-OE2 3.11Å; H1288-E1293 IonicContact CG-OE2 2.79Å; H1288-E1293 IonicContact ND1-OE2 2.84Å; H1288-E1293 PolarHBondContact ND1-OE2 3.34Å; H1288-E1293 PolarHBondContact O-N 3.36Å; N1291-E1293 VanDerWaalsContact C-N 3.31Å; E1293-L1295 VanDerWaalsContact C-N 3.3Å; E1293-L1295 PolarHBondContact O-N 3.21Å; E1293-L1296 HydrophobicContact CB-CB 4.35Å; E1293-L1296 HydrophobicContact CB-CD1 4.33Å; E1293-L1296 PolarHBondContact O-N 2.8Å; E1293-L1296 WeakPolarHBondContact OE2-CD1 3.47Å; E1293-G1297 PolarHBondContact O-N 3.14Å
1294H91.4Very high91.1Very high65 Ų6539.7 Ų39.730%0.30120%0.2SC..Hα-helixtrans-59.6-34.1-172.7-62.9-51.3000114G1292 A1298 E1325 K1328G1292-H1294 VanDerWaalsContact C-N 3.32Å; G1292-H1294 PolarHBondContact O-CD2 3.41Å; G1292-H1294 PolarHBondContact O-N 3Å; H1294-A1298 WeakPolarHBondContact O-CB 3.44Å; H1294-A1298 PolarHBondContact O-N 3.42Å; H1294-E1325 IonicContact CE1-OE2 2.67Å; H1294-E1325 IonicContact CG-OE2 3.19Å; H1294-E1325 IonicContact ND1-OE1 3.9Å; H1294-E1325 IonicContact ND1-OE2 2.69Å; H1294-E1325 PolarHBondContact ND1-OE2 3.49Å; H1294-K1328 HydrophobicContact CB-CB 4.12Å
1295L90.7Very high91.1Very high68 Ų6839.8 Ų39.836%0.35620%0.202SC..Hα-helixtrans-70.4-48.5-179.3-174.166.9000112.4E1293 A1298 R1299 A1329 L1331 V1391E1293-L1295 VanDerWaalsContact C-N 3.3Å; E1293-L1295 PolarHBondContact O-N 3.21Å; L1295-A1298 PolarHBondContact O-N 2.5Å; L1295-R1299 WeakPolarHBondContact O-CG 3.33Å; L1295-R1299 PolarHBondContact O-N 3.47Å; L1295-A1329 HydrophobicContact CB-CB 4.37Å; L1295-A1329 HydrophobicContact CD1-CB 3.99Å; L1295-L1331 HydrophobicContact CD1-CD1 4.21Å; L1295-V1391 HydrophobicContact CD1-CG1 4.35Å; L1295-V1391 HydrophobicContact CD2-CG1 4.43Å
1296L90.6Very high91Very high23 Ų2346.4 Ų46.412%0.1223%0.232CC..Hα-helixtrans-61.3-45.5175.5-86.4156.2000110.9H1288 E1293 A1298 R1299 M1300 T1425 Y1427H1288-L1296 HydrophobicContact CB-CB 4.08Å; E1293-L1296 HydrophobicContact CB-CB 4.35Å; E1293-L1296 HydrophobicContact CB-CD1 4.33Å; E1293-L1296 PolarHBondContact O-N 2.8Å; E1293-L1296 WeakPolarHBondContact OE2-CD1 3.47Å; L1296-A1298 PolarHBondContact O-N 3.49Å; L1296-R1299 PolarHBondContact O-N 3.14Å; L1296-M1300 PolarHBondContact O-N 3.14Å; L1296-T1425 HydrophobicContact CD2-CG2 4Å; L1296-Y1427 HydrophobicContact CD2-CD2 4.48Å; L1296-Y1427 HydrophobicContact CD2-CE1 3.93Å; L1296-Y1427 HydrophobicContact CD2-CE2 3.82Å
1297G92Very high91Very high0 Ų042.1 Ų42.10%022%0.218CC..Hα-helixtrans-57.4-46.7174.400000112.5E1293 L1301E1293-G1297 PolarHBondContact O-N 3.14Å; G1297-L1301 WeakPolarHBondContact O-CB 3.41Å; G1297-L1301 VanDerWaalsContact O-CG 3.27Å; G1297-L1301 WeakPolarHBondContact O-CG 3.39Å; G1297-L1301 PolarHBondContact O-N 3.36Å
1298A91.8Very high90.9Very high0 Ų041.4 Ų41.40%021%0.213CC..Hα-helixtrans-62.3-43.8177.300000112.3H1294 L1295 L1296 L1301 I1302 E1325 A1329 L1331H1294-A1298 WeakPolarHBondContact O-CB 3.44Å; H1294-A1298 PolarHBondContact O-N 3.42Å; L1295-A1298 PolarHBondContact O-N 2.5Å; L1296-A1298 PolarHBondContact O-N 3.49Å; A1298-L1301 PolarHBondContact O-N 3.2Å; A1298-I1302 VanDerWaalsContact O-CG1 3.25Å; A1298-I1302 WeakPolarHBondContact O-CG1 3.33Å; A1298-I1302 PolarHBondContact O-N 2.85Å; A1298-E1325 HydrophobicContact CB-CB 4.2Å; A1298-A1329 HydrophobicContact CB-CB 4.03Å; A1298-L1331 HydrophobicContact CB-CD1 4.12Å
1299R92.3Very high90.8Very high30 Ų3046 Ų4611%0.11325%0.246CC..Hα-helixtrans-63.4-43.6179.4-66.6-121.1-179-129.12.3112.4L1295 L1296 I1302 R1303 E1393 T1408 Y1427L1295-R1299 WeakPolarHBondContact O-CG 3.33Å; L1295-R1299 PolarHBondContact O-N 3.47Å; L1296-R1299 PolarHBondContact O-N 3.14Å; R1299-I1302 PolarHBondContact O-N 3.46Å; R1299-R1303 PolarHBondContact O-N 3.39Å; R1299-E1393 VanDerWaalsContact CZ-CG 3.49Å; R1299-E1393 IonicContact CZ-OE1 2.78Å; R1299-E1393 IonicContact CZ-OE2 3.36Å; R1299-E1393 IonicContact NE-OE1 3.31Å; R1299-E1393 PolarHBondContact NE-OE1 3.26Å; R1299-E1393 IonicContact NH1-OE1 3.55Å; R1299-E1393 PolarHBondContact NH1-OE1 2.84Å; R1299-E1393 IonicContact NH1-OE2 3.68Å; R1299-E1393 PolarHBondContact NH1-OE2 3.23Å; R1299-E1393 IonicContact NH2-OE1 3.63Å; R1299-E1393 IonicContact NH2-OE2 3.66Å; R1299-T1408 HydrophobicContact CB-CG2 4.07Å; R1299-T1408 HydrophobicContact CG-CG2 4.34Å; R1299-Y1427 HydrophobicContact CB-CE1 4.04Å; R1299-Y1427 HydrophobicContact CG-CE1 4.49Å
1300M94.3Very high90.7Very high0 Ų046.6 Ų46.60%024%0.244CC..Hα-helixtrans-66-40.2175-70-56.210100112L1284 A1285 L1296 I1302 R1303 V1304 T1425 Y1427L1284-M1300 HydrophobicContact CB-CG 4.16Å; A1285-M1300 HydrophobicContact CB-CB 3.94Å; L1296-M1300 PolarHBondContact O-N 3.14Å; M1300-I1302 VanDerWaalsContact C-N 3.35Å; M1300-I1302 PolarHBondContact O-N 2.95Å; M1300-R1303 PolarHBondContact O-N 3.19Å; M1300-V1304 WeakPolarHBondContact O-CG2 3.48Å; M1300-V1304 PolarHBondContact O-N 3.13Å; M1300-V1304 VanDerWaalsContact O-N 3.08Å; M1300-T1425 WeakPolarHBondContact CE-O 3.47Å; M1300-Y1427 HydrophobicContact CE-CD1 3.84Å; M1300-Y1427 HydrophobicContact CE-CE1 3.8Å
1301L94Very high90.8Very high9 Ų937.7 Ų37.75%0.04721%0.205CC..Hα-helixtrans-63.3-38.7174.5-77168.8000112.2A1285 G1297 A1298 V1304 S1305 I1318 T1322 E1325A1285-L1301 HydrophobicContact CB-CD2 3.9Å; A1285-L1301 HydrophobicContact CB-CG 3.77Å; G1297-L1301 WeakPolarHBondContact O-CB 3.41Å; G1297-L1301 VanDerWaalsContact O-CG 3.27Å; G1297-L1301 WeakPolarHBondContact O-CG 3.39Å; G1297-L1301 PolarHBondContact O-N 3.36Å; A1298-L1301 PolarHBondContact O-N 3.2Å; L1301-V1304 PolarHBondContact O-N 2.95Å; L1301-S1305 VanDerWaalsContact O-CB 3.26Å; L1301-S1305 WeakPolarHBondContact O-CB 3.42Å; L1301-S1305 PolarHBondContact O-N 2.94Å; L1301-S1305 PolarHBondContact O-OG 3.22Å; L1301-I1318 HydrophobicContact CD2-CG2 4.39Å; L1301-T1322 HydrophobicContact CB-CG2 4.2Å; L1301-E1325 HydrophobicContact CD1-CB 4.02Å; L1301-E1325 HydrophobicContact CD1-CG 4Å
1302I92.2Very high90.9Very high25 Ų2537.1 Ų37.113%0.12821%0.205CC..Hα-helixtrans-59-50174.7-71.1163.4000110.1A1298 R1299 M1300 V1304 S1305 E1306 T1322 L1331 Y1338A1298-I1302 VanDerWaalsContact O-CG1 3.25Å; A1298-I1302 WeakPolarHBondContact O-CG1 3.33Å; A1298-I1302 PolarHBondContact O-N 2.85Å; R1299-I1302 PolarHBondContact O-N 3.46Å; M1300-I1302 VanDerWaalsContact C-N 3.35Å; M1300-I1302 PolarHBondContact O-N 2.95Å; I1302-V1304 VanDerWaalsContact C-N 3.3Å; I1302-V1304 PolarHBondContact O-N 3.47Å; I1302-S1305 WeakPolarHBondContact O-CA 3.4Å; I1302-S1305 WeakPolarHBondContact O-CB 3.32Å; I1302-S1305 PolarHBondContact O-N 3.27Å; I1302-E1306 PolarHBondContact O-N 2.94Å; I1302-T1322 HydrophobicContact CG1-CG2 4.26Å; I1302-L1331 HydrophobicContact CD1-CD1 4.14Å; I1302-Y1338 HydrophobicContact CG1-CE2 4.36Å
1303R92.7Very high91Very high36 Ų3637.7 Ų37.714%0.13620%0.202CC..Hα-helixtrans-57.1-42.4177.9-172.1-174-70.1165.7-5112.3S1281 R1299 M1300 T1408 G1426S1281-R1303 PolarHBondContact OG-NH1 2.88Å; R1299-R1303 PolarHBondContact O-N 3.39Å; M1300-R1303 PolarHBondContact O-N 3.19Å; R1303-T1408 PolarHBondContact NH2-O 2.99Å; R1303-G1426 VanDerWaalsContact CZ-O 3.3Å; R1303-G1426 PolarHBondContact NH1-O 3.33Å; R1303-G1426 PolarHBondContact NH2-O 3.06Å
1304V93.4Very high91.1Very high0 Ų037.8 Ų37.80%020%0.203CC..Hα-helixtrans-68.1-36.8176.2176.10000111.5Y1282 M1300 L1301 I1302 S1307 I1308 F1311 I1318Y1282-V1304 HydrophobicContact CD2-CG1 4.33Å; M1300-V1304 WeakPolarHBondContact O-CG2 3.48Å; M1300-V1304 PolarHBondContact O-N 3.13Å; M1300-V1304 VanDerWaalsContact O-N 3.08Å; L1301-V1304 PolarHBondContact O-N 2.95Å; I1302-V1304 VanDerWaalsContact C-N 3.3Å; I1302-V1304 PolarHBondContact O-N 3.47Å; V1304-S1307 CarbonylContact O-C 3.5Å; V1304-S1307 VanDerWaalsContact O-C 3.29Å; V1304-S1307 PolarHBondContact O-N 3.3Å; V1304-I1308 PolarHBondContact O-N 3.17Å; V1304-F1311 HydrophobicContact CG1-CD2 3.9Å; V1304-F1311 HydrophobicContact CG1-CE1 4.34Å; V1304-F1311 HydrophobicContact CG1-CE2 3.68Å; V1304-F1311 HydrophobicContact CG1-CG 4.35Å; V1304-F1311 HydrophobicContact CG1-CZ 3.91Å; V1304-I1318 HydrophobicContact CG1-CD1 4.24Å; V1304-I1318 HydrophobicContact CG1-CG2 3.99Å
1305S92.1Very high91.1Very high4 Ų436.2 Ų36.23%0.02820%0.196CC..Hα-helixtrans-71.2-30.2-178.8-55.10000112.8L1301 I1302 S1307 I1308 T1322L1301-S1305 VanDerWaalsContact O-CB 3.26Å; L1301-S1305 WeakPolarHBondContact O-CB 3.42Å; L1301-S1305 PolarHBondContact O-N 2.94Å; L1301-S1305 PolarHBondContact O-OG 3.22Å; I1302-S1305 WeakPolarHBondContact O-CA 3.4Å; I1302-S1305 WeakPolarHBondContact O-CB 3.32Å; I1302-S1305 PolarHBondContact O-N 3.27Å; S1305-S1307 PolarHBondContact O-N 3.34Å; S1305-I1308 WeakPolarHBondContact O-CB 3.49Å; S1305-I1308 PolarHBondContact O-N 3.13Å; S1305-T1322 WeakPolarHBondContact OG-CG2 3.2Å; S1305-T1322 PolarHBondContact OG-OG1 2.9Å
1306E91.1Very high91.1Very high142 Ų14233.9 Ų33.966%0.66419%0.185SC*.Hα-helixtrans-65-28.5172.5-72.9174.517000111.9I1302I1302-E1306 PolarHBondContact O-N 2.94Å
1307S90.9Very high91.1Very high38 Ų3836.1 Ų36.127%0.26620%0.2SC..THydrogen-bonded Turntrans-109.533.7176.5-60.30000112.8V1304 S1305 S1309 K1310V1304-S1307 CarbonylContact O-C 3.5Å; V1304-S1307 VanDerWaalsContact O-C 3.29Å; V1304-S1307 PolarHBondContact O-N 3.3Å; S1305-S1307 PolarHBondContact O-N 3.34Å; S1307-S1309 PolarHBondContact O-N 3.08Å; S1307-K1310 WeakPolarHBondContact O-CB 3.43Å; S1307-K1310 PolarHBondContact O-N 3.34Å
1308I89.8Confident91.1Very high16 Ų1636.3 Ų36.38%0.08220%0.201CC..G310 helixtrans-59.6-23.4-171.2-160.663.4000114.1V1304 S1305 K1310 F1311 I1315 I1318 L1319V1304-I1308 PolarHBondContact O-N 3.17Å; S1305-I1308 WeakPolarHBondContact O-CB 3.49Å; S1305-I1308 PolarHBondContact O-N 3.13Å; I1308-K1310 PolarHBondContact O-N 3.47Å; I1308-F1311 PolarHBondContact O-N 3.17Å; I1308-I1315 HydrophobicContact CG1-CB 4.27Å; I1308-I1315 HydrophobicContact CG1-CG1 4.16Å; I1308-I1315 HydrophobicContact CG1-CG2 3.91Å; I1308-I1318 HydrophobicContact CD1-CB 3.9Å; I1308-I1318 HydrophobicContact CD1-CD1 4.31Å; I1308-I1318 HydrophobicContact CD1-CG2 3.66Å; I1308-L1319 HydrophobicContact CD1-CD2 4.26Å; I1308-L1319 HydrophobicContact CD1-CG 4.07Å; I1308-L1319 HydrophobicContact CG1-CD1 4.28Å; I1308-L1319 HydrophobicContact CG1-CD2 4.26Å; I1308-L1319 HydrophobicContact CG1-CG 4.09Å
1309S87.9Confident91.2Very high99 Ų9936.3 Ų36.369%0.69220%0.201SC*.G310 helixtrans-60.5-24.7175.554.30000113.2S1307 F1311S1307-S1309 PolarHBondContact O-N 3.08Å; S1309-F1311 VanDerWaalsContact C-N 3.26Å; S1309-F1311 PolarHBondContact O-N 3.43Å
1310K87.3Confident91.2Very high62 Ų6235.5 Ų35.527%0.2720%0.2SC..G310 helixtrans-79.8-3.4176-62.1-114.4-172.8173.70113.5N1275 S1307 I1308 P1312N1275-K1310 PolarHBondContact OD1-NZ 3.26Å; S1307-K1310 WeakPolarHBondContact O-CB 3.43Å; S1307-K1310 PolarHBondContact O-N 3.34Å; I1308-K1310 PolarHBondContact O-N 3.47Å; K1310-P1312 VanDerWaalsContact C-CD 3.4Å; K1310-P1312 WeakPolarHBondContact O-CD 3.25Å
1311F92Very high91.1Very high0 Ų038 Ų380%022%0.217CC..  trans-126.154.2-178.7-60.4-95.9000112.4Y1247 L1278 L1279 Y1282 V1304 I1308 S1309 S1313 H1314 I1315 I1318Y1247-F1311 HydrophobicContact CD1-CD1 4Å; Y1247-F1311 HydrophobicContact CD1-CE1 4.17Å; Y1247-F1311 HydrophobicContact CD2-CD1 4.24Å; Y1247-F1311 AromaticContact CE1-CD1 3.57Å; Y1247-F1311 HydrophobicContact CE1-CD1 3.57Å; Y1247-F1311 HydrophobicContact CE1-CE1 4.2Å; Y1247-F1311 HydrophobicContact CE1-CG 4.43Å; Y1247-F1311 AromaticContact CE2-CD1 3.73Å; Y1247-F1311 HydrophobicContact CE2-CD1 3.73Å; Y1247-F1311 HydrophobicContact CE2-CE1 4.42Å; Y1247-F1311 HydrophobicContact CG-CD1 4.36Å; Y1247-F1311 HydrophobicContact CG-CE1 4.38Å; Y1247-F1311 AromaticContact CZ-CD1 3.49Å; Y1247-F1311 VanDerWaalsContact CZ-CD1 3.49Å; L1278-F1311 HydrophobicContact CB-CZ 4.48Å; L1278-F1311 HydrophobicContact CD2-CE2 3.99Å; L1278-F1311 HydrophobicContact CD2-CZ 4.44Å; L1279-F1311 HydrophobicContact CD2-CE1 4.24Å; Y1282-F1311 HydrophobicContact CD2-CE1 4.4Å; Y1282-F1311 HydrophobicContact CG-CE1 4.15Å; V1304-F1311 HydrophobicContact CG1-CD2 3.9Å; V1304-F1311 HydrophobicContact CG1-CE1 4.34Å; V1304-F1311 HydrophobicContact CG1-CE2 3.68Å; V1304-F1311 HydrophobicContact CG1-CG 4.35Å; V1304-F1311 HydrophobicContact CG1-CZ 3.91Å; I1308-F1311 PolarHBondContact O-N 3.17Å; S1309-F1311 VanDerWaalsContact C-N 3.26Å; S1309-F1311 PolarHBondContact O-N 3.43Å; F1311-S1313 VanDerWaalsContact C-N 3.33Å; F1311-S1313 PolarHBondContact O-N 3.2Å; F1311-H1314 CarbonylContact O-C 3.51Å; F1311-H1314 PolarHBondContact O-N 2.88Å; F1311-I1315 WeakPolarHBondContact O-CG1 3.31Å; F1311-I1315 PolarHBondContact O-N 3.01Å; F1311-I1315 VanDerWaalsContact O-N 3.08Å; F1311-I1318 HydrophobicContact CB-CD1 3.57Å; F1311-I1318 HydrophobicContact CD1-CD1 3.91Å; F1311-I1318 HydrophobicContact CG-CD1 3.81Å
1312P88.2Confident91.1Very high58 Ų5837.6 Ų37.638%0.37722%0.215SC..G310 helixtrans-61.4-36.2-166.624.5-34.4000114.2I1243 K1310 H1314I1243-P1312 HydrophobicContact CB-CG 4.35Å; I1243-P1312 HydrophobicContact CG1-CG 4.21Å; I1243-P1312 HydrophobicContact CG2-CG 4.34Å; K1310-P1312 VanDerWaalsContact C-CD 3.4Å; K1310-P1312 WeakPolarHBondContact O-CD 3.25Å; P1312-H1314 VanDerWaalsContact C-N 3.34Å; P1312-H1314 PolarHBondContact O-N 3.23Å
1313S88Confident91.1Very high55 Ų5536.4 Ų36.439%0.38521%0.209SC..G310 helixtrans-72-24.7179.417.60000113.1Q1242 I1243 G1245 Y1247 F1311Q1242-S1313 PolarHBondContact O-OG 2.72Å; I1243-S1313 PolarHBondContact O-OG 2.87Å; G1245-S1313 VanDerWaalsContact CA-OG 3.31Å; G1245-S1313 WeakPolarHBondContact CA-OG 3.46Å; G1245-S1313 PolarHBondContact N-OG 3.17Å; Y1247-S1313 PolarHBondContact OH-OG 3.33Å; F1311-S1313 VanDerWaalsContact C-N 3.33Å; F1311-S1313 PolarHBondContact O-N 3.2Å
1314H90.6Very high91Very high64 Ų6436.8 Ų36.830%0.29621%0.213SC..G310 helixtrans-121.120.6-176.6-65.5146.2000114.5Y1247 F1311 P1312 V1316 P1317 I1318Y1247-H1314 AromaticContact CD2-ND1 3.77Å; Y1247-H1314 HydrophobicContact CE2-CB 3.96Å; Y1247-H1314 AromaticContact CE2-CE1 3.9Å; Y1247-H1314 AromaticContact CE2-CG 3.78Å; Y1247-H1314 AromaticContact CE2-ND1 2.91Å; Y1247-H1314 WeakPolarHBondContact CE2-ND1 3.24Å; Y1247-H1314 AromaticContact CZ-ND1 3.45Å; Y1247-H1314 WeakPolarHBondContact OH-CB 3.16Å; Y1247-H1314 PolarHBondContact OH-ND1 3.49Å; F1311-H1314 CarbonylContact O-C 3.51Å; F1311-H1314 PolarHBondContact O-N 2.88Å; P1312-H1314 VanDerWaalsContact C-N 3.34Å; P1312-H1314 PolarHBondContact O-N 3.23Å; H1314-V1316 PolarHBondContact O-N 3.19Å; H1314-P1317 VanDerWaalsContact O-CD 3.31Å; H1314-P1317 WeakPolarHBondContact O-CD 3.39Å; H1314-I1318 HydrophobicContact CB-CD1 3.87Å; H1314-I1318 HydrophobicContact CB-CG1 4.12Å; H1314-I1318 WeakPolarHBondContact O-CB 3.42Å; H1314-I1318 VanDerWaalsContact O-CG1 3.22Å; H1314-I1318 WeakPolarHBondContact O-CG1 3.33Å; H1314-I1318 PolarHBondContact O-N 3.14Å
1315I90.6Very high91Very high32 Ų3237.1 Ų37.116%0.16422%0.215CC..Hα-helixtrans-49.2-58178.7-64.7178000111.9I1308 F1311 I1318 L1319 Y1347I1308-I1315 HydrophobicContact CG1-CB 4.27Å; I1308-I1315 HydrophobicContact CG1-CG1 4.16Å; I1308-I1315 HydrophobicContact CG1-CG2 3.91Å; F1311-I1315 WeakPolarHBondContact O-CG1 3.31Å; F1311-I1315 PolarHBondContact O-N 3.01Å; F1311-I1315 VanDerWaalsContact O-N 3.08Å; I1315-I1318 PolarHBondContact O-N 3.41Å; I1315-L1319 HydrophobicContact CG2-CD1 3.79Å; I1315-L1319 WeakPolarHBondContact O-CB 3.12Å; I1315-L1319 WeakPolarHBondContact O-CG 3.46Å; I1315-L1319 PolarHBondContact O-N 2.92Å; I1315-Y1347 HydrophobicContact CD1-CE1 4.43Å; I1315-Y1347 HydrophobicContact CG2-CD1 4.02Å; I1315-Y1347 HydrophobicContact CG2-CE1 3.61Å
1316V90.8Very high90.9Very high19 Ų1937 Ų3712%0.11521%0.214CC..Hα-helixtrans-66.1-47.9-175.8173.50000112H1314 I1318 T1320 L1342 Y1347 K1350 L1351H1314-V1316 PolarHBondContact O-N 3.19Å; V1316-I1318 PolarHBondContact O-N 3.44Å; V1316-T1320 WeakPolarHBondContact O-CB 3.3Å; V1316-T1320 PolarHBondContact O-N 2.9Å; V1316-T1320 PolarHBondContact O-OG1 3.49Å; V1316-L1342 HydrophobicContact CG1-CD2 4.46Å; V1316-Y1347 HydrophobicContact CG2-CD1 4.16Å; V1316-K1350 HydrophobicContact CG2-CB 3.95Å; V1316-L1351 HydrophobicContact CG1-CD1 3.9Å; V1316-L1351 HydrophobicContact CG1-CG 4.49Å
1317P91.7Very high90.9Very high69 Ų6934.4 Ų34.445%0.44820%0.202SC..Hα-helixtrans-55.6-44174.1-27.232.1000114.5H1314 S1321H1314-P1317 VanDerWaalsContact O-CD 3.31Å; H1314-P1317 WeakPolarHBondContact O-CD 3.39Å; P1317-S1321 WeakPolarHBondContact O-CB 3.33Å; P1317-S1321 PolarHBondContact O-N 3.23Å; P1317-S1321 PolarHBondContact O-OG 3.09Å
1318I92.5Very high90.8Very high4 Ų438.1 Ų38.12%0.02121%0.213CC..Hα-helixtrans-65-56.6-179.5-70.5168.1000109.5Y1282 L1301 V1304 I1308 F1311 H1314 I1315 V1316 T1320 S1321 T1322Y1282-I1318 HydrophobicContact CD2-CD1 4.03Å; Y1282-I1318 HydrophobicContact CD2-CG1 4.24Å; Y1282-I1318 HydrophobicContact CE2-CD1 3.81Å; Y1282-I1318 HydrophobicContact CE2-CG1 3.77Å; L1301-I1318 HydrophobicContact CD2-CG2 4.39Å; V1304-I1318 HydrophobicContact CG1-CD1 4.24Å; V1304-I1318 HydrophobicContact CG1-CG2 3.99Å; I1308-I1318 HydrophobicContact CD1-CB 3.9Å; I1308-I1318 HydrophobicContact CD1-CD1 4.31Å; I1308-I1318 HydrophobicContact CD1-CG2 3.66Å; F1311-I1318 HydrophobicContact CB-CD1 3.57Å; F1311-I1318 HydrophobicContact CD1-CD1 3.91Å; F1311-I1318 HydrophobicContact CG-CD1 3.81Å; H1314-I1318 HydrophobicContact CB-CD1 3.87Å; H1314-I1318 HydrophobicContact CB-CG1 4.12Å; H1314-I1318 WeakPolarHBondContact O-CB 3.42Å; H1314-I1318 VanDerWaalsContact O-CG1 3.22Å; H1314-I1318 WeakPolarHBondContact O-CG1 3.33Å; H1314-I1318 PolarHBondContact O-N 3.14Å; I1315-I1318 PolarHBondContact O-N 3.41Å; V1316-I1318 PolarHBondContact O-N 3.44Å; I1318-T1320 PolarHBondContact O-N 3.06Å; I1318-S1321 CarbonylContact O-C 3.55Å; I1318-S1321 WeakPolarHBondContact O-CA 3.25Å; I1318-S1321 WeakPolarHBondContact O-CB 3.33Å; I1318-S1321 PolarHBondContact O-N 3.49Å; I1318-T1322 PolarHBondContact O-N 3.32Å; I1318-T1322 PolarHBondContact O-OG1 3.04Å
1319L92.2Very high90.7Very high0 Ų038.2 Ų38.20%022%0.216CC..Hα-helixtrans-59.2-37.6-179.4-68.5175.3000112I1308 I1315 S1321 T1322 V1323 Y1338 L1342I1308-L1319 HydrophobicContact CD1-CD2 4.26Å; I1308-L1319 HydrophobicContact CD1-CG 4.07Å; I1308-L1319 HydrophobicContact CG1-CD1 4.28Å; I1308-L1319 HydrophobicContact CG1-CD2 4.26Å; I1308-L1319 HydrophobicContact CG1-CG 4.09Å; I1315-L1319 HydrophobicContact CG2-CD1 3.79Å; I1315-L1319 WeakPolarHBondContact O-CB 3.12Å; I1315-L1319 WeakPolarHBondContact O-CG 3.46Å; I1315-L1319 PolarHBondContact O-N 2.92Å; L1319-S1321 VanDerWaalsContact C-N 3.32Å; L1319-S1321 PolarHBondContact O-N 2.89Å; L1319-T1322 WeakPolarHBondContact O-CB 3.46Å; L1319-T1322 PolarHBondContact O-N 3.42Å; L1319-V1323 WeakPolarHBondContact O-CG2 3.38Å; L1319-V1323 PolarHBondContact O-N 3.27Å; L1319-Y1338 HydrophobicContact CD2-CD1 3.71Å; L1319-Y1338 HydrophobicContact CD2-CE1 4.1Å; L1319-L1342 HydrophobicContact CB-CD1 3.84Å; L1319-L1342 HydrophobicContact CB-CD2 3.69Å; L1319-L1342 HydrophobicContact CB-CG 3.76Å; L1319-L1342 HydrophobicContact CD1-CD2 4Å; L1319-L1342 HydrophobicContact CD1-CG 4.32Å
1320T92.1Very high90.6Very high14 Ų1435.1 Ų35.19%0.08620%0.2CC..Hα-helixtrans-62.7-43.5176.9-590000110.4V1316 I1318 V1323 I1324 Y1355 F1359V1316-T1320 WeakPolarHBondContact O-CB 3.3Å; V1316-T1320 PolarHBondContact O-N 2.9Å; V1316-T1320 PolarHBondContact O-OG1 3.49Å; I1318-T1320 PolarHBondContact O-N 3.06Å; T1320-V1323 PolarHBondContact O-N 2.94Å; T1320-I1324 HydrophobicContact CG2-CD1 3.95Å; T1320-I1324 WeakPolarHBondContact O-CD1 3.18Å; T1320-I1324 VanDerWaalsContact O-CG1 3.24Å; T1320-I1324 WeakPolarHBondContact O-CG1 3.35Å; T1320-I1324 PolarHBondContact O-N 3.47Å; T1320-I1324 VanDerWaalsContact O-N 3.16Å; T1320-Y1355 HydrophobicContact CG2-CD1 4.41Å; T1320-Y1355 HydrophobicContact CG2-CD2 4.16Å; T1320-Y1355 HydrophobicContact CG2-CG 4.09Å; T1320-F1359 HydrophobicContact CG2-CE2 4.01Å; T1320-F1359 HydrophobicContact CG2-CZ 3.98Å
1321S93Very high90.5Very high52 Ų5233.1 Ų33.136%0.36419%0.192SC..Hα-helixtrans-64.9-41.2175.3-54.80000111.1P1317 I1318 L1319 V1323 I1324 E1325P1317-S1321 WeakPolarHBondContact O-CB 3.33Å; P1317-S1321 PolarHBondContact O-N 3.23Å; P1317-S1321 PolarHBondContact O-OG 3.09Å; I1318-S1321 CarbonylContact O-C 3.55Å; I1318-S1321 WeakPolarHBondContact O-CA 3.25Å; I1318-S1321 WeakPolarHBondContact O-CB 3.33Å; I1318-S1321 PolarHBondContact O-N 3.49Å; L1319-S1321 VanDerWaalsContact C-N 3.32Å; L1319-S1321 PolarHBondContact O-N 2.89Å; S1321-V1323 PolarHBondContact O-N 3.04Å; S1321-I1324 PolarHBondContact O-N 3.27Å; S1321-E1325 WeakPolarHBondContact O-CB 3.39Å; S1321-E1325 WeakPolarHBondContact O-CG 3.3Å; S1321-E1325 PolarHBondContact O-N 3.16Å
1322T93.4Very high90.1Very high0 Ų040.9 Ų40.90%023%0.226CC..Hα-helixtrans-57.4-47.9176.3-49.90000111.2L1301 I1302 S1305 I1318 L1319 I1324 C1326 Y1338L1301-T1322 HydrophobicContact CB-CG2 4.2Å; I1302-T1322 HydrophobicContact CG1-CG2 4.26Å; S1305-T1322 WeakPolarHBondContact OG-CG2 3.2Å; S1305-T1322 PolarHBondContact OG-OG1 2.9Å; I1318-T1322 PolarHBondContact O-N 3.32Å; I1318-T1322 PolarHBondContact O-OG1 3.04Å; L1319-T1322 WeakPolarHBondContact O-CB 3.46Å; L1319-T1322 PolarHBondContact O-N 3.42Å; T1322-I1324 PolarHBondContact O-N 3.43Å; T1322-C1326 WeakPolarHBondContact O-CB 3.49Å; T1322-C1326 PolarHBondContact O-N 2.9Å; T1322-C1326 PolarHBondContact O-SG 2.98Å; T1322-Y1338 HydrophobicContact CG2-CD2 3.74Å; T1322-Y1338 HydrophobicContact CG2-CE2 3.99Å; T1322-Y1338 HydrophobicContact CG2-CG 4.22Å
1323V92.3Very high89.8Confident0 Ų042.5 Ų42.50%024%0.239CC..Hα-helixtrans-61.3-46.9177.9175.60000111.4L1319 T1320 S1321 Q1327 A1339 L1342 F1359L1319-V1323 WeakPolarHBondContact O-CG2 3.38Å; L1319-V1323 PolarHBondContact O-N 3.27Å; T1320-V1323 PolarHBondContact O-N 2.94Å; S1321-V1323 PolarHBondContact O-N 3.04Å; V1323-Q1327 VanDerWaalsContact O-CB 3.28Å; V1323-Q1327 WeakPolarHBondContact O-CB 3.31Å; V1323-Q1327 PolarHBondContact O-N 3.4Å; V1323-A1339 HydrophobicContact CG1-CB 4Å; V1323-A1339 HydrophobicContact CG2-CB 4.09Å; V1323-A1339 VanDerWaalsContact CG2-N 3.34Å; V1323-L1342 HydrophobicContact CG2-CD1 3.99Å; V1323-F1359 HydrophobicContact CB-CE1 4.03Å; V1323-F1359 HydrophobicContact CB-CE2 4.46Å; V1323-F1359 HydrophobicContact CB-CZ 3.9Å; V1323-F1359 HydrophobicContact CG1-CD1 3.73Å; V1323-F1359 HydrophobicContact CG1-CE1 3.36Å; V1323-F1359 HydrophobicContact CG1-CE2 4.45Å; V1323-F1359 HydrophobicContact CG1-CG 4.44Å; V1323-F1359 HydrophobicContact CG1-CZ 3.77Å
1324I92.2Very high89.7Confident44 Ų4441.7 Ų41.723%0.22623%0.231CC..Hα-helixtrans-63.1-47.9-177.4-67.4165.3000110.9T1320 S1321 T1322 Q1327 K1328 Y1355 F1359T1320-I1324 HydrophobicContact CG2-CD1 3.95Å; T1320-I1324 WeakPolarHBondContact O-CD1 3.18Å; T1320-I1324 VanDerWaalsContact O-CG1 3.24Å; T1320-I1324 WeakPolarHBondContact O-CG1 3.35Å; T1320-I1324 PolarHBondContact O-N 3.47Å; T1320-I1324 VanDerWaalsContact O-N 3.16Å; S1321-I1324 PolarHBondContact O-N 3.27Å; T1322-I1324 PolarHBondContact O-N 3.43Å; I1324-Q1327 PolarHBondContact O-N 3.45Å; I1324-K1328 HydrophobicContact CG2-CD 4.48Å; I1324-K1328 WeakPolarHBondContact O-CG 3.11Å; I1324-K1328 PolarHBondContact O-N 2.94Å; I1324-Y1355 HydrophobicContact CD1-CD1 3.92Å; I1324-Y1355 HydrophobicContact CD1-CE1 3.48Å; I1324-Y1355 VanDerWaalsContact CD1-CE1 3.48Å; I1324-Y1355 HydrophobicContact CG1-CE1 4.41Å; I1324-F1359 HydrophobicContact CG1-CE1 4.39Å; I1324-F1359 HydrophobicContact CG1-CZ 4.19Å
1325E92.4Very high89.6Confident8 Ų838.7 Ų38.74%0.03722%0.218CC..Hα-helixtrans-74.3-39.7-175.8-67-58.6132.500111.9V1289 H1294 A1298 L1301 S1321 Q1327 K1328 A1329V1289-E1325 HydrophobicContact CG2-CG 3.8Å; H1294-E1325 IonicContact CE1-OE2 2.67Å; H1294-E1325 IonicContact CG-OE2 3.19Å; H1294-E1325 IonicContact ND1-OE1 3.9Å; H1294-E1325 IonicContact ND1-OE2 2.69Å; H1294-E1325 PolarHBondContact ND1-OE2 3.49Å; A1298-E1325 HydrophobicContact CB-CB 4.2Å; L1301-E1325 HydrophobicContact CD1-CB 4.02Å; L1301-E1325 HydrophobicContact CD1-CG 4Å; S1321-E1325 WeakPolarHBondContact O-CB 3.39Å; S1321-E1325 WeakPolarHBondContact O-CG 3.3Å; S1321-E1325 PolarHBondContact O-N 3.16Å; E1325-Q1327 PolarHBondContact O-N 3.23Å; E1325-K1328 PolarHBondContact O-N 3.32Å; E1325-K1328 IonicContact OE1-NZ 3.9Å; E1325-K1328 PolarHBondContact OE1-NZ 3.13Å; E1325-A1329 VanDerWaalsContact O-CB 3.25Å; E1325-A1329 WeakPolarHBondContact O-CB 3.21Å; E1325-A1329 PolarHBondContact O-N 3.3Å
1326C90.6Very high89.5Confident0 Ų041.9 Ų41.90%023%0.231CC..Hα-helixtrans-57.4-39.4170.5-740000111.4T1322 A1329 G1330 L1331T1322-C1326 WeakPolarHBondContact O-CB 3.49Å; T1322-C1326 PolarHBondContact O-N 2.9Å; T1322-C1326 PolarHBondContact O-SG 2.98Å; C1326-A1329 PolarHBondContact O-N 2.89Å; C1326-G1330 PolarHBondContact O-N 3.49Å; C1326-L1331 HydrophobicContact CB-CB 4.1Å; C1326-L1331 WeakPolarHBondContact O-CA 3.3Å; C1326-L1331 PolarHBondContact O-N 3.09Å
1327Q89.5Confident89.3Confident88 Ų8843.7 Ų43.741%0.41124%0.244SC..Hα-helixtrans-70.7-38.6178.7-171.914611.900113.2V1323 I1324 E1325 A1329 G1330 L1362V1323-Q1327 VanDerWaalsContact O-CB 3.28Å; V1323-Q1327 WeakPolarHBondContact O-CB 3.31Å; V1323-Q1327 PolarHBondContact O-N 3.4Å; I1324-Q1327 PolarHBondContact O-N 3.45Å; E1325-Q1327 PolarHBondContact O-N 3.23Å; Q1327-A1329 VanDerWaalsContact C-N 3.32Å; Q1327-G1330 PolarHBondContact O-N 3.2Å; Q1327-L1362 VanDerWaalsContact CD-CD1 3.46Å
1328K90.4Very high89.3Confident116 Ų11641.6 Ų41.650%0.50423%0.227SC..Hα-helixtrans-65.7-35.6172.2-71.9179.4-171.5166.90112.3H1294 I1324 E1325 G1330H1294-K1328 HydrophobicContact CB-CB 4.12Å; I1324-K1328 HydrophobicContact CG2-CD 4.48Å; I1324-K1328 WeakPolarHBondContact O-CG 3.11Å; I1324-K1328 PolarHBondContact O-N 2.94Å; E1325-K1328 PolarHBondContact O-N 3.32Å; E1325-K1328 IonicContact OE1-NZ 3.9Å; E1325-K1328 PolarHBondContact OE1-NZ 3.13Å; K1328-G1330 VanDerWaalsContact C-N 3.27Å; K1328-G1330 PolarHBondContact O-N 2.67Å
1329A87.2Confident89.1Confident18 Ų1841.4 Ų41.415%0.14923%0.226CC..THydrogen-bonded Turntrans-78.9-3.7179.600000114.1L1295 A1298 E1325 C1326 Q1327 L1331L1295-A1329 HydrophobicContact CB-CB 4.37Å; L1295-A1329 HydrophobicContact CD1-CB 3.99Å; A1298-A1329 HydrophobicContact CB-CB 4.03Å; E1325-A1329 VanDerWaalsContact O-CB 3.25Å; E1325-A1329 WeakPolarHBondContact O-CB 3.21Å; E1325-A1329 PolarHBondContact O-N 3.3Å; C1326-A1329 PolarHBondContact O-N 2.89Å; Q1327-A1329 VanDerWaalsContact C-N 3.32Å; A1329-L1331 HydrophobicContact CB-CD1 4.27Å
1330G84.7Confident88.8Confident34 Ų3443.1 Ų43.135%0.35124%0.241SC..THydrogen-bonded Turntrans82.66.3-179.500000115.2C1326 Q1327 K1328 K1332C1326-G1330 PolarHBondContact O-N 3.49Å; Q1327-G1330 PolarHBondContact O-N 3.2Å; K1328-G1330 VanDerWaalsContact C-N 3.27Å; K1328-G1330 PolarHBondContact O-N 2.67Å; G1330-K1332 VanDerWaalsContact C-N 3.28Å; G1330-K1332 PolarHBondContact O-N 3.3Å
1331L86Confident88.7Confident20 Ų2044.8 Ų44.811%0.10525%0.248CC..  trans-8269.3177-64.4163.5000110.5L1295 A1298 I1302 C1326 A1329 S1333 T1334 S1335L1295-L1331 HydrophobicContact CD1-CD1 4.21Å; A1298-L1331 HydrophobicContact CB-CD1 4.12Å; I1302-L1331 HydrophobicContact CD1-CD1 4.14Å; C1326-L1331 HydrophobicContact CB-CB 4.1Å; C1326-L1331 WeakPolarHBondContact O-CA 3.3Å; C1326-L1331 PolarHBondContact O-N 3.09Å; A1329-L1331 HydrophobicContact CB-CD1 4.27Å; L1331-S1333 PolarHBondContact O-N 3.05Å; L1331-T1334 WeakPolarHBondContact CB-OG1 3.2Å; L1331-T1334 PolarHBondContact O-OG1 3.1Å; L1331-S1335 WeakPolarHBondContact O-CB 3.3Å; L1331-S1335 PolarHBondContact O-N 3.22Å
1332K83.3Confident88.5Confident164 Ų16442.3 Ų42.371%0.71323%0.231SC*.Hα-helixtrans-64-40.2-171-67.6-177.7-178175.10113.3G1330 S1335 F1336G1330-K1332 VanDerWaalsContact C-N 3.28Å; G1330-K1332 PolarHBondContact O-N 3.3Å; K1332-S1335 PolarHBondContact O-N 3.01Å; K1332-S1335 PolarHBondContact O-OG 3.23Å; K1332-F1336 WeakPolarHBondContact O-CB 3.46Å; K1332-F1336 PolarHBondContact O-N 2.88Å
1333S82Confident88.2Confident91 Ų9143.9 Ų43.964%0.63624%0.239SC*.Hα-helixtrans-66.5-45.1-177.565.50000112.8L1331 F1336 S1337L1331-S1333 PolarHBondContact O-N 3.05Å; S1333-F1336 WeakPolarHBondContact O-CB 3.48Å; S1333-F1336 PolarHBondContact O-N 2.86Å; S1333-S1337 PolarHBondContact O-N 2.83Å
1334T86Confident87.9Confident38 Ų3850.3 Ų50.323%0.23326%0.263CS..Hα-helixtrans-70.1-35.8175.546.70000111.5L1331 F1336 S1337 Y1338L1331-T1334 WeakPolarHBondContact CB-OG1 3.2Å; L1331-T1334 PolarHBondContact O-OG1 3.1Å; T1334-F1336 PolarHBondContact O-N 3.4Å; T1334-S1337 PolarHBondContact O-N 3.37Å; T1334-S1337 PolarHBondContact O-OG 2.96Å; T1334-S1337 VanDerWaalsContact O-OG 3.04Å; T1334-Y1338 VanDerWaalsContact O-CD2 3.27Å; T1334-Y1338 WeakPolarHBondContact O-CD2 3.45Å; T1334-Y1338 PolarHBondContact O-N 3.34Å; T1334-Y1338 VanDerWaalsContact O-N 3.12Å
1335S88.2Confident87.4Confident2 Ų253.3 Ų53.31%0.01429%0.286CS..Hα-helixtrans-59.8-39.3172.387.60000111.5L1331 K1332 A1339L1331-S1335 WeakPolarHBondContact O-CB 3.3Å; L1331-S1335 PolarHBondContact O-N 3.22Å; K1332-S1335 PolarHBondContact O-N 3.01Å; K1332-S1335 PolarHBondContact O-OG 3.23Å; S1335-A1339 WeakPolarHBondContact O-CB 3.45Å; S1335-A1339 PolarHBondContact O-N 3.08Å
1336F88.1Confident87Confident98 Ų9858.7 Ų58.743%0.4331%0.311SS..Hα-helixtrans-67-45.1177.4175.2-88.2000111.7K1332 S1333 T1334 Y1338 A1339 A1340 V1363K1332-F1336 WeakPolarHBondContact O-CB 3.46Å; K1332-F1336 PolarHBondContact O-N 2.88Å; S1333-F1336 WeakPolarHBondContact O-CB 3.48Å; S1333-F1336 PolarHBondContact O-N 2.86Å; T1334-F1336 PolarHBondContact O-N 3.4Å; F1336-Y1338 PolarHBondContact O-N 3.48Å; F1336-A1339 PolarHBondContact O-N 3.44Å; F1336-A1340 WeakPolarHBondContact O-CB 3.24Å; F1336-A1340 PolarHBondContact O-N 2.81Å; F1336-V1363 HydrophobicContact CD2-CG2 4.26Å; F1336-V1363 HydrophobicContact CE2-CB 4.19Å; F1336-V1363 HydrophobicContact CE2-CG1 3.96Å; F1336-V1363 HydrophobicContact CE2-CG2 4.2Å; F1336-V1363 HydrophobicContact CZ-CG1 4.27Å
1337S87.6Confident86.8Confident57 Ų5760.9 Ų60.940%0.39932%0.319SS..Hα-helixtrans-62.1-45.7-178.973.10000112S1333 T1334 A1340 M1341S1333-S1337 PolarHBondContact O-N 2.83Å; T1334-S1337 PolarHBondContact O-N 3.37Å; T1334-S1337 PolarHBondContact O-OG 2.96Å; T1334-S1337 VanDerWaalsContact O-OG 3.04Å; S1337-A1340 PolarHBondContact O-N 3.35Å; S1337-M1341 PolarHBondContact O-N 3.31Å
1338Y91.1Very high86.5Confident25 Ų2561.3 Ų61.310%0.09832%0.317CS..Hα-helixtrans-72.5-32.4178.2-72.1-63.4000112.6I1302 L1319 T1322 T1334 F1336 M1341 L1342I1302-Y1338 HydrophobicContact CG1-CE2 4.36Å; L1319-Y1338 HydrophobicContact CD2-CD1 3.71Å; L1319-Y1338 HydrophobicContact CD2-CE1 4.1Å; T1322-Y1338 HydrophobicContact CG2-CD2 3.74Å; T1322-Y1338 HydrophobicContact CG2-CE2 3.99Å; T1322-Y1338 HydrophobicContact CG2-CG 4.22Å; T1334-Y1338 VanDerWaalsContact O-CD2 3.27Å; T1334-Y1338 WeakPolarHBondContact O-CD2 3.45Å; T1334-Y1338 PolarHBondContact O-N 3.34Å; T1334-Y1338 VanDerWaalsContact O-N 3.12Å; F1336-Y1338 PolarHBondContact O-N 3.48Å; Y1338-M1341 HydrophobicContact CD1-SD 4.37Å; Y1338-M1341 PolarHBondContact O-N 3.48Å; Y1338-L1342 PolarHBondContact O-N 3.23Å
1339A88.6Confident86.2Confident0 Ų061.6 Ų61.60%032%0.324CS..Hα-helixtrans-64.2-41.6171.500000111.4V1323 S1335 F1336 M1341 L1342 L1343 F1359 L1362 V1363V1323-A1339 HydrophobicContact CG1-CB 4Å; V1323-A1339 HydrophobicContact CG2-CB 4.09Å; V1323-A1339 VanDerWaalsContact CG2-N 3.34Å; S1335-A1339 WeakPolarHBondContact O-CB 3.45Å; S1335-A1339 PolarHBondContact O-N 3.08Å; F1336-A1339 PolarHBondContact O-N 3.44Å; A1339-M1341 VanDerWaalsContact C-N 3.35Å; A1339-L1342 PolarHBondContact O-N 3.5Å; A1339-L1343 WeakPolarHBondContact O-CG 3.3Å; A1339-L1343 PolarHBondContact O-N 2.81Å; A1339-F1359 HydrophobicContact CB-CB 4.29Å; A1339-F1359 HydrophobicContact CB-CG 4.49Å; A1339-L1362 HydrophobicContact CB-CD2 3.83Å; A1339-V1363 HydrophobicContact CB-CG2 4Å
1340A87.1Confident86.1Confident36 Ų3668.4 Ų68.430%0.29835%0.351SS..Hα-helixtrans-64.5-38.7174.500000111.8F1336 S1337 L1343 V1363F1336-A1340 WeakPolarHBondContact O-CB 3.24Å; F1336-A1340 PolarHBondContact O-N 2.81Å; S1337-A1340 PolarHBondContact O-N 3.35Å; A1340-L1343 PolarHBondContact O-N 2.97Å; A1340-V1363 HydrophobicContact CB-CG2 4.46Å
1341M88.9Confident86.1Confident50 Ų5067.1 Ų67.125%0.24634%0.336CS..Hα-helixtrans-62.4-44.8174.7-169.9176.9-171.400112S1337 Y1338 A1339 L1343 R1344S1337-M1341 PolarHBondContact O-N 3.31Å; Y1338-M1341 HydrophobicContact CD1-SD 4.37Å; Y1338-M1341 PolarHBondContact O-N 3.48Å; A1339-M1341 VanDerWaalsContact C-N 3.35Å; M1341-L1343 PolarHBondContact O-N 3.19Å; M1341-R1344 WeakPolarHBondContact O-CB 3.07Å; M1341-R1344 WeakPolarHBondContact O-CG 3.15Å; M1341-R1344 PolarHBondContact O-N 3.48Å
1342L88.3Confident86.1Confident0 Ų071 Ų710%036%0.356CS..Hα-helixtrans-65.2-22.6177.6-86.4172.4000114.3V1316 L1319 V1323 Y1338 A1339 R1344 R1348 L1351 F1359V1316-L1342 HydrophobicContact CG1-CD2 4.46Å; L1319-L1342 HydrophobicContact CB-CD1 3.84Å; L1319-L1342 HydrophobicContact CB-CD2 3.69Å; L1319-L1342 HydrophobicContact CB-CG 3.76Å; L1319-L1342 HydrophobicContact CD1-CD2 4Å; L1319-L1342 HydrophobicContact CD1-CG 4.32Å; V1323-L1342 HydrophobicContact CG2-CD1 3.99Å; Y1338-L1342 PolarHBondContact O-N 3.23Å; A1339-L1342 PolarHBondContact O-N 3.5Å; L1342-R1344 VanDerWaalsContact C-N 3.35Å; L1342-R1348 PolarHBondContact O-N 3.03Å; L1342-L1351 HydrophobicContact CB-CD1 3.94Å; L1342-L1351 HydrophobicContact CD1-CD1 3.96Å; L1342-L1351 HydrophobicContact CD2-CD1 3.42Å; L1342-L1351 VanDerWaalsContact CD2-CD1 3.42Å; L1342-L1351 HydrophobicContact CG-CD1 3.97Å; L1342-F1359 HydrophobicContact CD1-CD2 4.2Å; L1342-F1359 HydrophobicContact CD1-CE2 3.87Å
1343L87.5Confident86Confident32 Ų3267.9 Ų67.917%0.16835%0.351CS..THydrogen-bonded Turntrans-87.1-2.9178.5-70.4170.2000113.6A1339 A1340 M1341 R1348 F1359 E1360 V1363A1339-L1343 WeakPolarHBondContact O-CG 3.3Å; A1339-L1343 PolarHBondContact O-N 2.81Å; A1340-L1343 PolarHBondContact O-N 2.97Å; M1341-L1343 PolarHBondContact O-N 3.19Å; L1343-R1348 HydrophobicContact CD2-CG 4.34Å; L1343-F1359 HydrophobicContact CD1-CB 4.43Å; L1343-E1360 HydrophobicContact CD1-CG 4.08Å; L1343-E1360 HydrophobicContact CD2-CG 3.59Å; L1343-V1363 HydrophobicContact CD1-CB 4.18Å; L1343-V1363 HydrophobicContact CD1-CG2 3.87Å
1344R86.9Confident86.2Confident136 Ų13670.1 Ų70.151%0.51335%0.349SS..SBendtrans-63.9150.8172.1-68.1-177.6-178.6-173.41.7111.4M1341 L1342 E1346 Y1347 R1348M1341-R1344 WeakPolarHBondContact O-CB 3.07Å; M1341-R1344 WeakPolarHBondContact O-CG 3.15Å; M1341-R1344 PolarHBondContact O-N 3.48Å; L1342-R1344 VanDerWaalsContact C-N 3.35Å; R1344-E1346 PolarHBondContact O-N 3.45Å; R1344-Y1347 PolarHBondContact O-N 2.82Å; R1344-R1348 WeakPolarHBondContact O-CB 3.36Å; R1344-R1348 PolarHBondContact O-N 3.34Å
1345P81.7Confident86.2Confident107 Ų10771.8 Ų71.870%0.69535%0.352SS*.Hα-helixtrans-51.4-36.3-174.4-24.232.2000113.8Y1347P1345-Y1347 VanDerWaalsContact C-N 3.3Å; P1345-Y1347 PolarHBondContact O-N 3.25Å
1346E83Confident86.1Confident121 Ų12174 Ų7457%0.56536%0.36SS*.Hα-helixtrans-58.4-35.5-179.1-61128.2-145.200114.1R1344R1344-E1346 PolarHBondContact O-N 3.45Å
1347Y87.1Confident85.8Confident45 Ų4578.3 Ų78.318%0.17637%0.373CS..Hα-helixtrans-114.2-23.1-172-54.6-60.8000113.2I1315 V1316 R1344 P1345 D1349 K1350 L1351I1315-Y1347 HydrophobicContact CD1-CE1 4.43Å; I1315-Y1347 HydrophobicContact CG2-CD1 4.02Å; I1315-Y1347 HydrophobicContact CG2-CE1 3.61Å; V1316-Y1347 HydrophobicContact CG2-CD1 4.16Å; R1344-Y1347 PolarHBondContact O-N 2.82Å; P1345-Y1347 VanDerWaalsContact C-N 3.3Å; P1345-Y1347 PolarHBondContact O-N 3.25Å; Y1347-D1349 PolarHBondContact O-N 3.16Å; Y1347-D1349 VanDerWaalsContact O-N 3.12Å; Y1347-K1350 PolarHBondContact O-N 3.27Å; Y1347-L1351 PolarHBondContact O-N 3.04Å
1348R83.8Confident85.7Confident98 Ų9882.1 Ų82.137%0.3738%0.383SS..Hα-helixtrans-55.3-36.8-171.1-156.6-169.3169.5-157.21.8113L1342 L1343 R1344 L1351 R1356 E1360L1342-R1348 PolarHBondContact O-N 3.03Å; L1343-R1348 HydrophobicContact CD2-CG 4.34Å; R1344-R1348 WeakPolarHBondContact O-CB 3.36Å; R1344-R1348 PolarHBondContact O-N 3.34Å; R1348-L1351 WeakPolarHBondContact O-CB 3.34Å; R1348-R1356 VanDerWaalsContact CG-NH2 3.29Å; R1348-R1356 PolarHBondContact O-NH1 3.09Å; R1348-E1360 IonicContact CZ-OE1 3.16Å; R1348-E1360 IonicContact NE-OE1 3.19Å; R1348-E1360 PolarHBondContact NE-OE1 3.3Å; R1348-E1360 IonicContact NH2-OE1 3.49Å; R1348-E1360 PolarHBondContact NH2-OE1 3.46Å
1349D83Confident85.6Confident121 Ų12181.3 Ų81.365%0.64738%0.38SS*.THydrogen-bonded Turntrans-84.9-18.8-176.6-64.6-25.8000114.2Y1347 L1351 R1356Y1347-D1349 PolarHBondContact O-N 3.16Å; Y1347-D1349 VanDerWaalsContact O-N 3.12Å; D1349-L1351 VanDerWaalsContact C-N 3.31Å; D1349-R1356 IonicContact OD1-CZ 3.47Å; D1349-R1356 IonicContact OD1-NH1 3.09Å; D1349-R1356 PolarHBondContact OD1-NH1 3.44Å; D1349-R1356 VanDerWaalsContact OD1-NH1 3.09Å; D1349-R1356 IonicContact OD1-NH2 2.88Å; D1349-R1356 PolarHBondContact OD1-NH2 2.98Å
1350K85.1Confident85.4Confident162 Ų16283.3 Ų83.370%0.70439%0.389SS*.THydrogen-bonded Turntrans-84.7-9.5171.4-65.9-179.6-178.6177.90112.3V1316 Y1347V1316-K1350 HydrophobicContact CG2-CB 3.95Å; Y1347-K1350 PolarHBondContact O-N 3.27Å
1351L85Confident85.1Confident7 Ų785 Ų854%0.03740%0.396CS..SBendtrans-81.4130.9-178.6-147.2105.3000111.2V1316 L1342 Y1347 R1348 D1349 V1353 R1356 F1359V1316-L1351 HydrophobicContact CG1-CD1 3.9Å; V1316-L1351 HydrophobicContact CG1-CG 4.49Å; L1342-L1351 HydrophobicContact CB-CD1 3.94Å; L1342-L1351 HydrophobicContact CD1-CD1 3.96Å; L1342-L1351 HydrophobicContact CD2-CD1 3.42Å; L1342-L1351 VanDerWaalsContact CD2-CD1 3.42Å; L1342-L1351 HydrophobicContact CG-CD1 3.97Å; Y1347-L1351 PolarHBondContact O-N 3.04Å; R1348-L1351 WeakPolarHBondContact O-CB 3.34Å; D1349-L1351 VanDerWaalsContact C-N 3.31Å; L1351-V1353 PolarHBondContact O-N 3.26Å; L1351-R1356 HydrophobicContact CD2-CB 3.9Å; L1351-F1359 HydrophobicContact CD2-CD2 3.76Å; L1351-F1359 HydrophobicContact CD2-CE2 4.1Å
1352D85.1Confident84.7Confident101 Ų10184.4 Ų84.454%0.5439%0.393SS..  trans-58.8133.9176-171.3-37.9000110.7K1354 Y1355 R1356D1352-K1354 PolarHBondContact O-N 3.31Å; D1352-K1354 VanDerWaalsContact O-N 3.07Å; D1352-K1354 PolarHBondContact OD1-N 3.3Å; D1352-Y1355 HydrophobicContact CB-CD2 4.13Å; D1352-Y1355 PolarHBondContact O-N 3.25Å; D1352-R1356 PolarHBondContact O-N 3.29Å
1353V82.4Confident84.3Confident99 Ų9986.3 Ų86.360%0.641%0.405SS*.Hα-helixtrans-52.2-34.3-176.6-176.20000111.8L1351 Y1355 R1356 R1357L1351-V1353 PolarHBondContact O-N 3.26Å; V1353-Y1355 PolarHBondContact O-N 3.34Å; V1353-R1356 PolarHBondContact O-N 2.8Å; V1353-R1357 PolarHBondContact O-N 3.33Å
1354K85.7Confident83.5Confident138 Ų13893.9 Ų93.960%0.643%0.431SS*.Hα-helixtrans-60.9-42.2178.5-175.5-178.2-179.8-178.40112.7D1352D1352-K1354 PolarHBondContact O-N 3.31Å; D1352-K1354 VanDerWaalsContact O-N 3.07Å; D1352-K1354 PolarHBondContact OD1-N 3.3Å
1355Y86.9Confident82.2Confident72 Ų7296.8 Ų96.828%0.28244%0.442SS..Hα-helixtrans-85.7-31.5-180-62.2-72.9000111.8T1320 I1324 D1352 V1353 R1357 K1358 F1359T1320-Y1355 HydrophobicContact CG2-CD1 4.41Å; T1320-Y1355 HydrophobicContact CG2-CD2 4.16Å; T1320-Y1355 HydrophobicContact CG2-CG 4.09Å; I1324-Y1355 HydrophobicContact CD1-CD1 3.92Å; I1324-Y1355 HydrophobicContact CD1-CE1 3.48Å; I1324-Y1355 VanDerWaalsContact CD1-CE1 3.48Å; I1324-Y1355 HydrophobicContact CG1-CE1 4.41Å; D1352-Y1355 HydrophobicContact CB-CD2 4.13Å; D1352-Y1355 PolarHBondContact O-N 3.25Å; V1353-Y1355 PolarHBondContact O-N 3.34Å; Y1355-R1357 VanDerWaalsContact C-N 3.35Å; Y1355-R1357 PolarHBondContact O-N 3.44Å; Y1355-K1358 PolarHBondContact O-N 3.34Å; Y1355-F1359 HydrophobicContact CD1-CZ 4.28Å; Y1355-F1359 HydrophobicContact CG-CZ 4.46Å; Y1355-F1359 WeakPolarHBondContact O-CG 3.32Å; Y1355-F1359 PolarHBondContact O-N 3.1Å
1356R85.7Confident80.5Confident50 Ų5097.5 Ų97.519%0.18944%0.444CS..Hα-helixtrans-54.5-48.8179.6-167.1174-178.3157.13.8111.6R1348 D1349 L1351 D1352 V1353 K1358 F1359 E1360R1348-R1356 VanDerWaalsContact CG-NH2 3.29Å; R1348-R1356 PolarHBondContact O-NH1 3.09Å; D1349-R1356 IonicContact OD1-CZ 3.47Å; D1349-R1356 IonicContact OD1-NH1 3.09Å; D1349-R1356 PolarHBondContact OD1-NH1 3.44Å; D1349-R1356 VanDerWaalsContact OD1-NH1 3.09Å; D1349-R1356 IonicContact OD1-NH2 2.88Å; D1349-R1356 PolarHBondContact OD1-NH2 2.98Å; L1351-R1356 HydrophobicContact CD2-CB 3.9Å; D1352-R1356 PolarHBondContact O-N 3.29Å; V1353-R1356 PolarHBondContact O-N 2.8Å; R1356-K1358 PolarHBondContact O-N 3.44Å; R1356-F1359 PolarHBondContact O-N 2.8Å; R1356-E1360 WeakPolarHBondContact O-CB 3.32Å; R1356-E1360 WeakPolarHBondContact O-CG 3.42Å; R1356-E1360 PolarHBondContact O-N 2.85Å
1357R82.3Confident78.3Confident188 Ų18897.9 Ų97.971%0.70945%0.45SS*.Hα-helixtrans-62.7-41.4175.6-78.5-175.6176.2175.6-0112.9V1353 Y1355 T1361V1353-R1357 PolarHBondContact O-N 3.33Å; Y1355-R1357 VanDerWaalsContact C-N 3.35Å; Y1355-R1357 PolarHBondContact O-N 3.44Å; R1357-T1361 WeakPolarHBondContact O-CB 3.32Å; R1357-T1361 PolarHBondContact O-N 3.09Å; R1357-T1361 PolarHBondContact O-OG1 2.85Å
1358K84.7Confident76.2Confident137 Ų137104.2 Ų104.260%0.59649%0.487SS*.Hα-helixtrans-64.2-45.9179-81.6-172.5174-173.40111.6Y1355 R1356 T1361 L1362Y1355-K1358 PolarHBondContact O-N 3.34Å; R1356-K1358 PolarHBondContact O-N 3.44Å; K1358-T1361 WeakPolarHBondContact O-CB 3.27Å; K1358-T1361 PolarHBondContact O-N 3.29Å; K1358-L1362 PolarHBondContact O-N 2.86Å
1359F89Confident73.6Confident8 Ų8108 Ų1084%0.03551%0.505CS..Hα-helixtrans-70.8-37.5-179.4-60.3-18.1000111.9T1320 V1323 I1324 A1339 L1342 L1343 L1351 Y1355 R1356 T1361 L1362 V1363T1320-F1359 HydrophobicContact CG2-CE2 4.01Å; T1320-F1359 HydrophobicContact CG2-CZ 3.98Å; V1323-F1359 HydrophobicContact CB-CE1 4.03Å; V1323-F1359 HydrophobicContact CB-CE2 4.46Å; V1323-F1359 HydrophobicContact CB-CZ 3.9Å; V1323-F1359 HydrophobicContact CG1-CD1 3.73Å; V1323-F1359 HydrophobicContact CG1-CE1 3.36Å; V1323-F1359 HydrophobicContact CG1-CE2 4.45Å; V1323-F1359 HydrophobicContact CG1-CG 4.44Å; V1323-F1359 HydrophobicContact CG1-CZ 3.77Å; I1324-F1359 HydrophobicContact CG1-CE1 4.39Å; I1324-F1359 HydrophobicContact CG1-CZ 4.19Å; A1339-F1359 HydrophobicContact CB-CB 4.29Å; A1339-F1359 HydrophobicContact CB-CG 4.49Å; L1342-F1359 HydrophobicContact CD1-CD2 4.2Å; L1342-F1359 HydrophobicContact CD1-CE2 3.87Å; L1343-F1359 HydrophobicContact CD1-CB 4.43Å; L1351-F1359 HydrophobicContact CD2-CD2 3.76Å; L1351-F1359 HydrophobicContact CD2-CE2 4.1Å; Y1355-F1359 HydrophobicContact CD1-CZ 4.28Å; Y1355-F1359 HydrophobicContact CG-CZ 4.46Å; Y1355-F1359 WeakPolarHBondContact O-CG 3.32Å; Y1355-F1359 PolarHBondContact O-N 3.1Å; R1356-F1359 PolarHBondContact O-N 2.8Å; F1359-T1361 VanDerWaalsContact C-N 3.28Å; F1359-T1361 PolarHBondContact O-N 2.99Å; F1359-L1362 WeakPolarHBondContact O-CB 3.35Å; F1359-L1362 PolarHBondContact O-N 3.31Å; F1359-V1363 WeakPolarHBondContact O-CG2 3.42Å; F1359-V1363 PolarHBondContact O-N 3.39Å
1360E83.4Confident70.9Confident41 Ų41107.9 Ų107.919%0.19251%0.51CS..Hα-helixtrans-60.1-40170.3-77.7-179.4172.100111.5L1343 R1348 R1356 V1363 R1364L1343-E1360 HydrophobicContact CD1-CG 4.08Å; L1343-E1360 HydrophobicContact CD2-CG 3.59Å; R1348-E1360 IonicContact CZ-OE1 3.16Å; R1348-E1360 IonicContact NE-OE1 3.19Å; R1348-E1360 PolarHBondContact NE-OE1 3.3Å; R1348-E1360 IonicContact NH2-OE1 3.49Å; R1348-E1360 PolarHBondContact NH2-OE1 3.46Å; R1356-E1360 WeakPolarHBondContact O-CB 3.32Å; R1356-E1360 WeakPolarHBondContact O-CG 3.42Å; R1356-E1360 PolarHBondContact O-N 2.85Å; E1360-V1363 PolarHBondContact O-N 3.48Å; E1360-R1364 WeakPolarHBondContact O-CB 3.4Å; E1360-R1364 WeakPolarHBondContact O-CG 3.02Å; E1360-R1364 PolarHBondContact O-N 2.89Å
1361T81.7Confident68Low72 Ų72107.7 Ų107.744%0.44252%0.516SS..Hα-helixtrans-67.5-38.2176.3-48.90000111.6R1357 K1358 F1359 R1364 R1365R1357-T1361 WeakPolarHBondContact O-CB 3.32Å; R1357-T1361 PolarHBondContact O-N 3.09Å; R1357-T1361 PolarHBondContact O-OG1 2.85Å; K1358-T1361 WeakPolarHBondContact O-CB 3.27Å; K1358-T1361 PolarHBondContact O-N 3.29Å; F1359-T1361 VanDerWaalsContact C-N 3.28Å; F1359-T1361 PolarHBondContact O-N 2.99Å; T1361-R1364 PolarHBondContact O-N 3.37Å; T1361-R1365 PolarHBondContact O-N 2.93Å; T1361-R1365 VanDerWaalsContact O-N 3.09Å
1362L81Confident65.2Low37 Ų37112.5 Ų112.519%0.19455%0.55CS.*Hα-helixtrans-60.4-47175.3-165.984.3000111.4Q1327 A1339 K1358 F1359Q1327-L1362 VanDerWaalsContact CD-CD1 3.46Å; A1339-L1362 HydrophobicContact CB-CD2 3.83Å; K1358-L1362 PolarHBondContact O-N 2.86Å; F1359-L1362 WeakPolarHBondContact O-CB 3.35Å; F1359-L1362 PolarHBondContact O-N 3.31Å
1363V79.9Confident62.3Low40 Ų40114.6 Ų114.624%0.24257%0.567CS.*Hα-helixtrans-75.5-27.7-178176.40000112F1336 A1339 A1340 L1343 F1359 E1360F1336-V1363 HydrophobicContact CD2-CG2 4.26Å; F1336-V1363 HydrophobicContact CE2-CB 4.19Å; F1336-V1363 HydrophobicContact CE2-CG1 3.96Å; F1336-V1363 HydrophobicContact CE2-CG2 4.2Å; F1336-V1363 HydrophobicContact CZ-CG1 4.27Å; A1339-V1363 HydrophobicContact CB-CG2 4Å; A1340-V1363 HydrophobicContact CB-CG2 4.46Å; L1343-V1363 HydrophobicContact CD1-CB 4.18Å; L1343-V1363 HydrophobicContact CD1-CG2 3.87Å; F1359-V1363 WeakPolarHBondContact O-CG2 3.42Å; F1359-V1363 PolarHBondContact O-N 3.39Å; E1360-V1363 PolarHBondContact O-N 3.48Å
1364R71.3Confident59.5Low192 Ų192112.9 Ų112.973%0.72557%0.569SS**Hα-helixtrans-81.6-20.6177.3-76.1178.3-177.5-163.42.4115E1360 T1361 T1366E1360-R1364 WeakPolarHBondContact O-CB 3.4Å; E1360-R1364 WeakPolarHBondContact O-CG 3.02Å; E1360-R1364 PolarHBondContact O-N 2.89Å; T1361-R1364 PolarHBondContact O-N 3.37Å; R1364-T1366 VanDerWaalsContact C-N 3.28Å; R1364-T1366 PolarHBondContact O-N 2.86Å
1365R58.8Low56.6Low196 Ų196112.9 Ų112.974%0.7458%0.58SS**  trans-77.579.3175.9-84.5-175.2173.9173.5-2.3110.4T1361 D1367T1361-R1365 PolarHBondContact O-N 2.93Å; T1361-R1365 VanDerWaalsContact O-N 3.09Å; R1365-D1367 VanDerWaalsContact C-N 3.3Å; R1365-D1367 PolarHBondContact O-N 2.88Å
1366T45.3Very low53.6Low122 Ų122114.8 Ų114.875%0.74860%0.604SS**  trans-83.672.9163.149.30000109.7R1364R1364-T1366 VanDerWaalsContact C-N 3.28Å; R1364-T1366 PolarHBondContact O-N 2.86Å
1367D37.9Very low51Low129 Ų129117.5 Ų117.569%0.6963%0.628SS**  trans-108.471.6161.6-75.6-37.1000108.2R1365R1365-D1367 VanDerWaalsContact C-N 3.3Å; R1365-D1367 PolarHBondContact O-N 2.88Å
1368L41.9Very low48.2Very low179 Ų179113 Ų11394%0.93761%0.611SS**  trans-113.680.2155-77.1165.9000105.6
1369K28.6Very low45.4Very low176 Ų176109.2 Ų109.277%0.76561%0.611SS**  trans-88.2133.6165.7-82.2-177176.8177.10108.2
1370T26.7Very low42.3Very low120 Ų120115.3 Ų115.374%0.73664%0.642SS**  trans62112.7164.159.40000114.5
1371D25.4Very low39.4Very low157 Ų157116.5 Ų116.584%0.8467%0.666SS**  -133.4135.865.9-70.2-36.5000116
1372S24.9Very low36.6Very low108 Ų108118.2 Ų118.276%0.75568%0.68SS**  trans-75.5111.616147.90000110.5
1373V25.1Very low33.9Very low146 Ų146122.5 Ų122.589%0.88571%0.708SS**  trans-147135.7143.1-178.60000106.8
1374G23.6Very low31.2Very low63 Ų63128.3 Ų128.365%0.64974%0.737SS**  trans-82.7-178.2-163.600000116.3
1375V24Very low28.9Very low137 Ų137126.5 Ų126.583%0.8374%0.742SS**  trans65.799.5147.5-1730000117
1376S24.1Very low27.3Very low112 Ų112125.5 Ų125.578%0.78375%0.746SS**  70.6150.4128.3-59.40000122.1
1377P31.6Very low26.3Very low107 Ų107125.7 Ų125.770%0.69575%0.747SS**  trans-94.7139.4-165.535.4-27.9000112.8
1378R23.8Very low25.7Very low95 Ų95126.1 Ų126.136%0.35875%0.749SS.*  trans153.5136.7130.2-86.2149.2175.9-120.26.3114.6K216 D217 D236K216-R1378 VanDerWaalsContact CA-NH1 3.34Å; K216-R1378 HydrophobicContact CD-CG 3.86Å; K216-R1378 PolarHBondContact O-NH2 3.37Å; D217-R1378 VanDerWaalsContact CA-NH2 3.3Å; D217-R1378 VanDerWaalsContact N-CZ 3.3Å; D217-R1378 VanDerWaalsContact N-NH2 3.19Å; D217-R1378 IonicContact OD1-CZ 3.57Å; D217-R1378 IonicContact OD1-NE 2.74Å; D217-R1378 PolarHBondContact OD1-NE 3.42Å; D217-R1378 IonicContact OD1-NH1 2.62Å; D217-R1378 PolarHBondContact OD1-NH1 3.43Å; D217-R1378 IonicContact OD1-NH2 2.67Å; D217-R1378 PolarHBondContact OD1-NH2 3.12Å; D217-R1378 VanDerWaalsContact OD2-CD 3.26Å; D217-R1378 WeakPolarHBondContact OD2-CD 3.38Å; D217-R1378 IonicContact OD2-CZ 3.05Å; D217-R1378 IonicContact OD2-NE 3.42Å; D217-R1378 PolarHBondContact OD2-NE 2.73Å; D217-R1378 IonicContact OD2-NH1 3.44Å; D217-R1378 PolarHBondContact OD2-NH1 2.89Å; D217-R1378 IonicContact OD2-NH2 3.42Å; D236-R1378 IonicContact OD2-NH1 3.75Å; D236-R1378 PolarHBondContact OD2-NH1 3.48Å; D236-R1378 VanDerWaalsContact OD2-NH1 3.13Å
1379G25.7Very low25.2Very low57 Ų57128.7 Ų128.759%0.58875%0.748SS**  trans62.7147.8147.600000116.1
1380I23.8Very low25.8Very low136 Ų136124.2 Ų124.270%0.69774%0.739SS**  cis-156.7162.23.1-88160.5000102.9
1381G21.8Very low27.2Very low66 Ų66121.7 Ų121.768%0.6872%0.723SS**  trans120.3117.8155.900000116
1382S23.5Very low28.8Very low107 Ų107119.5 Ų119.575%0.74872%0.715SS**  trans-29.7151.6162.147.70000117.6
1383T23.7Very low31.1Very low128 Ų128116.6 Ų116.679%0.78569%0.69SS**  trans62.186.6152.642.80000116
1384L22.7Very low33.8Very low161 Ų161113.7 Ų113.784%0.84367%0.673SS**  trans-151.2118146.2-103.5136.7000111.1Q1386L1384-Q1386 PolarHBondContact O-N 3.44Å; L1384-Q1386 VanDerWaalsContact O-N 3.09Å
1385N24.3Very low36.8Very low154 Ų154114.4 Ų114.482%0.82467%0.668SS**  trans-36.9109.1155.1-67.5-41.9000110.4
1386Q24.8Very low40Very low175 Ų175108.9 Ų108.982%0.81864%0.635SS**  trans-107.186.2161-80.2-1750.600108.4L1384 N1388L1384-Q1386 PolarHBondContact O-N 3.44Å; L1384-Q1386 VanDerWaalsContact O-N 3.09Å; Q1386-N1388 VanDerWaalsContact C-N 3.29Å; Q1386-N1388 PolarHBondContact O-N 3.02Å
1387T23.9Very low43.2Very low127 Ų127106.6 Ų106.678%0.77962%0.617SS**  trans-58.195.7151.241.90000108.1
1388N26.7Very low46Very low138 Ų138101.7 Ų101.774%0.73859%0.585SS**SBendtrans-169.9101.1147.1-91-25.4000111.7Q1386 S1390Q1386-N1388 VanDerWaalsContact C-N 3.29Å; Q1386-N1388 PolarHBondContact O-N 3.02Å; N1388-S1390 PolarHBondContact O-N 3.49Å
1389Y31.2Very low49Very low233 Ų23397.7 Ų97.791%0.91457%0.572SS**SBendtrans47.257.5152.1-64.2-82.5000120.1
1390S41Very low51.8Low82 Ų8297.5 Ų97.557%0.57356%0.561SS**SBendtrans-144.6146.9138.1660000108N1388 T1392N1388-S1390 PolarHBondContact O-N 3.49Å; S1390-T1392 VanDerWaalsContact C-N 3.31Å; S1390-T1392 PolarHBondContact O-N 3.1Å
1391V56.4Low54.9Low67 Ų6794 Ų9441%0.40655%0.548SS..  trans-65.492.6-179.2-1780000108.1L1295 E1393L1295-V1391 HydrophobicContact CD1-CG1 4.35Å; L1295-V1391 HydrophobicContact CD2-CG1 4.43Å; V1391-E1393 PolarHBondContact O-N 3.47Å
1392T58.8Low58Low110 Ų11092.9 Ų92.968%0.67554%0.537SS*.PPolyproline II helixtrans-61.8121.217941.50000108.8S1390 T1394S1390-T1392 VanDerWaalsContact C-N 3.31Å; S1390-T1392 PolarHBondContact O-N 3.1Å; T1392-T1394 PolarHBondContact O-N 3.37Å
1393E72.3Confident61.1Low48 Ų4888.8 Ų88.822%0.22451%0.508CS..PPolyproline II helixtrans-66.5127.6178.3-169163.7-148.200110.4R1299 V1391 L1406 T1408R1299-E1393 VanDerWaalsContact CZ-CG 3.49Å; R1299-E1393 IonicContact CZ-OE1 2.78Å; R1299-E1393 IonicContact CZ-OE2 3.36Å; R1299-E1393 IonicContact NE-OE1 3.31Å; R1299-E1393 PolarHBondContact NE-OE1 3.26Å; R1299-E1393 IonicContact NH1-OE1 3.55Å; R1299-E1393 PolarHBondContact NH1-OE1 2.84Å; R1299-E1393 IonicContact NH1-OE2 3.68Å; R1299-E1393 PolarHBondContact NH1-OE2 3.23Å; R1299-E1393 IonicContact NH2-OE1 3.63Å; R1299-E1393 IonicContact NH2-OE2 3.66Å; V1391-E1393 PolarHBondContact O-N 3.47Å; E1393-L1406 HydrophobicContact CB-CD2 4Å; E1393-L1406 HydrophobicContact CG-CB 4.45Å; E1393-L1406 HydrophobicContact CG-CD2 4.07Å; E1393-T1408 VanDerWaalsContact OE1-CB 3.27Å; E1393-T1408 WeakPolarHBondContact OE1-CB 3.31Å; E1393-T1408 WeakPolarHBondContact OE1-CG2 3.39Å; E1393-T1408 PolarHBondContact OE1-OG1 3.42Å
1394T82Confident64.2Low84 Ų8487.7 Ų87.752%0.51550%0.503SS..PPolyproline II helixtrans-71.1146.1-179.929.40000110.8T1392 E1407T1392-T1394 PolarHBondContact O-N 3.37Å; T1394-E1407 WeakPolarHBondContact CB-OE1 3.43Å; T1394-E1407 WeakPolarHBondContact O-CG 3.07Å; T1394-E1407 PolarHBondContact O-N 2.88Å; T1394-E1407 PolarHBondContact OG1-OE1 3.22Å; T1394-E1407 PolarHBondContact OG1-OE2 3.04Å
1395S87Confident67.3Low79 Ų7980.6 Ų80.655%0.55247%0.466SS*.EExtended strand (participates in β ladder)trans-105.2133.1177.555.30000110.9L1405S1395-L1405 CarbonylContact C-O 3.54Å; S1395-L1405 WeakPolarHBondContact CA-O 3.45Å
1396T90.5Very high70.4Confident21 Ų2177.3 Ų77.313%0.12945%0.448CS..EExtended strand (participates in β ladder)trans-123.6151.4178.5490000110.3L1405 E1407 H1428 I1430T1396-L1405 PolarHBondContact N-O 2.78Å; T1396-L1405 PolarHBondContact O-N 3.32Å; T1396-L1405 VanDerWaalsContact O-O 3.12Å; T1396-E1407 HydrophobicContact CG2-CG 3.78Å; T1396-H1428 PolarHBondContact OG1-CE1 3.06Å; T1396-H1428 PolarHBondContact OG1-NE2 3.3Å; T1396-I1430 HydrophobicContact CG2-CD1 3.8Å
1397P91.1Very high73.5Confident63 Ų6371.2 Ų71.241%0.40942%0.419SS..EExtended strand (participates in β ladder)trans-71.4136.2-17325.6-32.1000112.3I1430P1397-I1430 HydrophobicContact CG-CG2 3.92Å
1398C90.2Very high76.7Confident4 Ų466.6 Ų66.63%0.02739%0.391CS..  trans-56.9130.3173.2172.70000110.6S1400 G1402 S1403 L1405 C1415C1398-S1400 VanDerWaalsContact C-N 3.25Å; C1398-S1400 PolarHBondContact O-N 3.36Å; C1398-S1400 PolarHBondContact SG-N 3.29Å; C1398-G1402 WeakPolarHBondContact O-CA 3.43Å; C1398-G1402 PolarHBondContact O-N 3.06Å; C1398-S1403 VanDerWaalsContact CB-O 3.3Å; C1398-S1403 WeakPolarHBondContact CB-O 3.5Å; C1398-S1403 PolarHBondContact N-O 3.04Å; C1398-L1405 HydrophobicContact CB-CD1 4.36Å; C1398-C1415 VanDerWaalsContact SG-SG 3.66Å
1399P87.2Confident79.7Confident12 Ų1262 Ų628%0.07837%0.369CS..THydrogen-bonded Turntrans-73-15.3-176.931-37.3000113.9I1419 V1429 K1431 L1483 I1487P1399-I1419 HydrophobicContact CG-CG2 3.44Å; P1399-I1419 VanDerWaalsContact CG-CG2 3.44Å; P1399-V1429 WeakPolarHBondContact CG-O 3.41Å; P1399-K1431 HydrophobicContact CB-CB 4.42Å; P1399-L1483 HydrophobicContact CB-CD1 3.94Å; P1399-L1483 HydrophobicContact CB-CD2 3.57Å; P1399-L1483 HydrophobicContact CB-CG 4.42Å; P1399-L1483 HydrophobicContact CG-CD2 3.81Å; P1399-I1487 HydrophobicContact CG-CD1 4.38Å
1400S85.6Confident82.5Confident52 Ų5252.3 Ų52.336%0.36433%0.333SS..THydrogen-bonded Turntrans-87.5-53.5173.4-93.30000113.5C1398 I1487C1398-S1400 VanDerWaalsContact C-N 3.25Å; C1398-S1400 PolarHBondContact O-N 3.36Å; C1398-S1400 PolarHBondContact SG-N 3.29Å; S1400-I1487 WeakPolarHBondContact OG-CD1 3.44Å
1401C88.1Confident84.8Confident62 Ų6253.1 Ų53.142%0.41933%0.325SS..THydrogen-bonded Turntrans-116-4.5-172.9720000115.5S1403 C1415C1401-S1403 VanDerWaalsContact C-N 3.27Å; C1401-S1403 PolarHBondContact O-N 3.23Å; C1401-S1403 PolarHBondContact SG-OG 3.27Å; C1401-C1415 HydrophobicContact CB-CB 3.72Å; C1401-C1415 PolarHBondContact SG-SG 3.2Å
1402G87Confident86.3Confident44 Ų4449.9 Ų49.945%0.45431%0.305SS..  trans79.2-4.8178.600000116C1398C1398-G1402 WeakPolarHBondContact O-CA 3.43Å; C1398-G1402 PolarHBondContact O-N 3.06Å
1403S87.8Confident87.6Confident21 Ų2149.6 Ų49.615%0.14730%0.304CS..  trans-64143.3177.657.30000112.3C1398 C1401 L1405 C1412C1398-S1403 VanDerWaalsContact CB-O 3.3Å; C1398-S1403 WeakPolarHBondContact CB-O 3.5Å; C1398-S1403 PolarHBondContact N-O 3.04Å; C1401-S1403 VanDerWaalsContact C-N 3.27Å; C1401-S1403 PolarHBondContact O-N 3.23Å; C1401-S1403 PolarHBondContact SG-OG 3.27Å; S1403-L1405 PolarHBondContact O-N 2.87Å; S1403-C1412 PolarHBondContact OG-SG 3.09Å; S1403-C1412 VanDerWaalsContact OG-SG 3.38Å
1404P90Very high88.1Confident104 Ų10454.3 Ų54.368%0.67533%0.326SS*.EExtended strand (participates in β ladder)trans-68.1123.4-179.125.5-31.6000111.3
1405L88.3Confident88.3Confident12 Ų1252.2 Ų52.26%0.06331%0.314CS..EExtended strand (participates in β ladder)trans-121147.2177.6-121.789.3000110.9S1395 T1396 C1398 S1403 E1407 C1412 I1419S1395-L1405 CarbonylContact C-O 3.54Å; S1395-L1405 WeakPolarHBondContact CA-O 3.45Å; T1396-L1405 PolarHBondContact N-O 2.78Å; T1396-L1405 PolarHBondContact O-N 3.32Å; T1396-L1405 VanDerWaalsContact O-O 3.12Å; C1398-L1405 HydrophobicContact CB-CD1 4.36Å; S1403-L1405 PolarHBondContact O-N 2.87Å; L1405-E1407 PolarHBondContact O-N 3.37Å; L1405-C1412 HydrophobicContact CD1-CB 3.76Å; L1405-C1412 VanDerWaalsContact CD1-SG 3.51Å; L1405-C1412 HydrophobicContact CD2-CB 4.43Å; L1405-I1419 HydrophobicContact CD2-CD1 3.65Å
1406L89.6Confident88Confident85 Ų8555.9 Ų55.945%0.44532%0.315SS..EExtended strand (participates in β ladder)trans-59.2135.7168.1-65.2172.9000109.9E1393 T1408 S1409 H1428E1393-L1406 HydrophobicContact CB-CD2 4Å; E1393-L1406 HydrophobicContact CG-CB 4.45Å; E1393-L1406 HydrophobicContact CG-CD2 4.07Å; L1406-T1408 PolarHBondContact O-N 3.45Å; L1406-T1408 VanDerWaalsContact O-N 3.09Å; L1406-S1409 WeakPolarHBondContact O-CB 3.41Å; L1406-S1409 PolarHBondContact O-N 2.86Å; L1406-H1428 PolarHBondContact O-CE1 3.33Å; L1406-H1428 VanDerWaalsContact O-CE1 3.3Å; L1406-H1428 PolarHBondContact O-ND1 2.86Å; L1406-H1428 VanDerWaalsContact O-ND1 3.16Å
1407E89.9Confident87.6Confident47 Ų4755.4 Ų55.422%0.2231%0.313CS..THydrogen-bonded Turntrans-52-35.7-177.1-75.7172-163.600113.5T1394 T1396 L1405 Y1427 H1428T1394-E1407 WeakPolarHBondContact CB-OE1 3.43Å; T1394-E1407 WeakPolarHBondContact O-CG 3.07Å; T1394-E1407 PolarHBondContact O-N 2.88Å; T1394-E1407 PolarHBondContact OG1-OE1 3.22Å; T1394-E1407 PolarHBondContact OG1-OE2 3.04Å; T1396-E1407 HydrophobicContact CG2-CG 3.78Å; L1405-E1407 PolarHBondContact O-N 3.37Å; E1407-Y1427 HydrophobicContact CB-CD2 3.89Å; E1407-Y1427 HydrophobicContact CB-CE2 4.32Å; E1407-Y1427 HydrophobicContact CB-CG 4.25Å; E1407-Y1427 CarbonylContact O-C 3.44Å; E1407-Y1427 WeakPolarHBondContact O-CA 3.34Å; E1407-Y1427 VanDerWaalsContact O-CB 3.26Å; E1407-Y1427 WeakPolarHBondContact O-CB 3.44Å; E1407-H1428 PolarHBondContact O-N 3.43Å; E1407-H1428 PolarHBondContact O-ND1 3.45Å
1408T89.7Confident87.3Confident31 Ų3153.4 Ų53.419%0.1930%0.3CS..THydrogen-bonded Turntrans-81.8-14.5178.154.60000115.4R1299 R1303 E1393 L1406 Y1427R1299-T1408 HydrophobicContact CB-CG2 4.07Å; R1299-T1408 HydrophobicContact CG-CG2 4.34Å; R1303-T1408 PolarHBondContact NH2-O 2.99Å; E1393-T1408 VanDerWaalsContact OE1-CB 3.27Å; E1393-T1408 WeakPolarHBondContact OE1-CB 3.31Å; E1393-T1408 WeakPolarHBondContact OE1-CG2 3.39Å; E1393-T1408 PolarHBondContact OE1-OG1 3.42Å; L1406-T1408 PolarHBondContact O-N 3.45Å; L1406-T1408 VanDerWaalsContact O-N 3.09Å; T1408-Y1427 HydrophobicContact CG2-CD1 3.74Å; T1408-Y1427 HydrophobicContact CG2-CE1 3.49Å; T1408-Y1427 VanDerWaalsContact CG2-CE1 3.49Å
1409S89.6Confident87.3Confident40 Ų4053.3 Ų53.328%0.2830%0.299SS..  trans-74.6130.4-179.7177.70000110.4L1406 Y1411 H1428L1406-S1409 WeakPolarHBondContact O-CB 3.41Å; L1406-S1409 PolarHBondContact O-N 2.86Å; S1409-Y1411 PolarHBondContact OG-N 2.98Å; S1409-Y1411 PolarHBondContact OG-O 3.39Å; S1409-Y1411 VanDerWaalsContact OG-O 3.09Å; S1409-H1428 WeakPolarHBondContact O-CB 2.98Å; S1409-H1428 PolarHBondContact O-ND1 2.92Å
1410L90.8Very high87.4Confident30 Ų3052.8 Ų52.816%0.15730%0.296CS..  trans-105.48.7177.6-57.4-178000112.7T1277 I1419 Y1421 H1428T1277-L1410 HydrophobicContact CG2-CD1 3.68Å; L1410-I1419 PolarHBondContact O-N 3.39Å; L1410-Y1421 HydrophobicContact CD1-CD1 4.24Å; L1410-H1428 HydrophobicContact CD2-CB 4.08Å
1411Y89.8Confident87.7Confident99 Ų9950.3 Ų50.339%0.38828%0.278SS..BIsolated β-bridgetrans-134.5124179.9-177.2-97.2000110S1409 T1413S1409-Y1411 PolarHBondContact OG-N 2.98Å; S1409-Y1411 PolarHBondContact OG-O 3.39Å; S1409-Y1411 VanDerWaalsContact OG-O 3.09Å; Y1411-T1413 HydrophobicContact CD1-CG2 4.42Å; Y1411-T1413 HydrophobicContact CE1-CG2 4.41Å
1412C87.8Confident88Confident0 Ų047.4 Ų47.40%026%0.258CS..  trans-93120.5177-177.10000111S1403 L1405 C1415 R1416 S1417 I1419S1403-C1412 PolarHBondContact OG-SG 3.09Å; S1403-C1412 VanDerWaalsContact OG-SG 3.38Å; L1405-C1412 HydrophobicContact CD1-CB 3.76Å; L1405-C1412 VanDerWaalsContact CD1-SG 3.51Å; L1405-C1412 HydrophobicContact CD2-CB 4.43Å; C1412-C1415 VanDerWaalsContact CB-SG 3.52Å; C1412-C1415 PolarHBondContact SG-SG 3.37Å; C1412-R1416 WeakPolarHBondContact O-CA 3.35Å; C1412-R1416 PolarHBondContact O-N 3.29Å; C1412-S1417 PolarHBondContact N-O 3.15Å; C1412-I1419 HydrophobicContact CB-CD1 3.92Å; C1412-I1419 HydrophobicContact CB-CG1 4.49Å
1413T84.6Confident88.3Confident104 Ų10445.3 Ų45.364%0.63824%0.237SC*.THydrogen-bonded Turntrans-70.9-30.9177.749.70000113Y1411Y1411-T1413 HydrophobicContact CD1-CG2 4.42Å; Y1411-T1413 HydrophobicContact CE1-CG2 4.41Å
1414E84Confident88.6Confident147 Ų14744.5 Ų44.569%0.68723%0.231SC*.THydrogen-bonded Turntrans-70.4-50-179.2-66.7-61.314800112.2
1415C84.9Confident88.7Confident40 Ų4039.7 Ų39.727%0.2720%0.199SC..THydrogen-bonded Turntrans-101.97.5-179.759.60000114.3C1398 C1401 C1412 S1417C1398-C1415 VanDerWaalsContact SG-SG 3.66Å; C1401-C1415 HydrophobicContact CB-CB 3.72Å; C1401-C1415 PolarHBondContact SG-SG 3.2Å; C1412-C1415 VanDerWaalsContact CB-SG 3.52Å; C1412-C1415 PolarHBondContact SG-SG 3.37Å; C1415-S1417 PolarHBondContact O-N 2.94Å; C1415-S1417 PolarHBondContact O-OG 3.16Å; C1415-S1417 PolarHBondContact SG-OG 2.96Å
1416R81.9Confident88.8Confident155 Ų15539.1 Ų39.159%0.58520%0.196SC*.  trans48.927178.4-59.8-174.2-176.6168.25115C1412C1412-R1416 WeakPolarHBondContact O-CA 3.35Å; C1412-R1416 PolarHBondContact O-N 3.29Å
1417S80.8Confident89Confident12 Ų1236.1 Ų36.18%0.08418%0.179CC..  trans-107.7136.4-17711.70000111C1412 C1415 N1491C1412-S1417 PolarHBondContact N-O 3.15Å; C1415-S1417 PolarHBondContact O-N 2.94Å; C1415-S1417 PolarHBondContact O-OG 3.16Å; C1415-S1417 PolarHBondContact SG-OG 2.96Å; S1417-N1491 VanDerWaalsContact CB-ND2 3.3Å; S1417-N1491 WeakPolarHBondContact CB-ND2 3.4Å
1418T86.6Confident89.1Confident21 Ų2133.9 Ų33.913%0.12917%0.169CC..BIsolated β-bridgetrans-72.9126.4167.7-33.40000108.6F1270 N1491F1270-T1418 HydrophobicContact CE2-CG2 4.39Å; T1418-N1491 WeakPolarHBondContact CB-OD1 3.33Å; T1418-N1491 PolarHBondContact N-ND2 3.15Å; T1418-N1491 PolarHBondContact N-OD1 3.01Å; T1418-N1491 PolarHBondContact O-ND2 3.42Å; T1418-N1491 PolarHBondContact OG1-OD1 2.87Å
1419I88.5Confident89.3Confident1 Ų132.4 Ų32.41%0.00516%0.16CC..PPolyproline II helixtrans-103.6134.5-172.5-53.9165.9000109.4P1399 L1405 L1410 C1412 H1428P1399-I1419 HydrophobicContact CG-CG2 3.44Å; P1399-I1419 VanDerWaalsContact CG-CG2 3.44Å; L1405-I1419 HydrophobicContact CD2-CD1 3.65Å; L1410-I1419 PolarHBondContact O-N 3.39Å; C1412-I1419 HydrophobicContact CB-CD1 3.92Å; C1412-I1419 HydrophobicContact CB-CG1 4.49Å; I1419-H1428 HydrophobicContact CB-CB 4.43Å; I1419-H1428 HydrophobicContact CG2-CB 3.96Å
1420P89.7Confident89.4Confident1 Ų131.9 Ų31.91%0.00615%0.154CC..PPolyproline II helixtrans-61.6147.6173.320.9-30.4000112.8V1429 P1443 L1483 W1486 I1487P1420-V1429 HydrophobicContact CB-CG2 4.36Å; P1420-V1429 HydrophobicContact CG-CG2 3.84Å; P1420-V1429 WeakPolarHBondContact O-CG2 3.42Å; P1420-V1429 PolarHBondContact O-N 3.46Å; P1420-V1429 VanDerWaalsContact O-N 3.16Å; P1420-P1443 HydrophobicContact CB-CB 4.34Å; P1420-P1443 HydrophobicContact CB-CG 3.93Å; P1420-L1483 HydrophobicContact CG-CD2 4.44Å; P1420-W1486 HydrophobicContact CB-CB 4.33Å; P1420-W1486 HydrophobicContact CB-CD2 4.35Å; P1420-W1486 HydrophobicContact CB-CE3 4.17Å; P1420-W1486 HydrophobicContact CB-CG 4.46Å; P1420-W1486 HydrophobicContact CG-CB 3.99Å; P1420-I1487 HydrophobicContact CG-CG1 4.32Å
1421Y92.4Very high89.2Confident1 Ų134.7 Ų34.70%0.00417%0.165CC..BIsolated β-bridgetrans-99.1154.7177.457.9-88.2000112.2F1273 T1277 H1280 L1410 Y1427 F1442 M1463F1273-Y1421 HydrophobicContact CE1-CD1 4.42Å; F1273-Y1421 HydrophobicContact CE1-CE1 4.05Å; F1273-Y1421 AromaticContact CE2-CE1 3.95Å; F1273-Y1421 HydrophobicContact CE2-CE1 3.95Å; F1273-Y1421 AromaticContact CZ-CD1 3.97Å; F1273-Y1421 HydrophobicContact CZ-CD1 3.97Å; F1273-Y1421 AromaticContact CZ-CE1 3.44Å; F1273-Y1421 HydrophobicContact CZ-CE1 3.44Å; F1273-Y1421 VanDerWaalsContact CZ-CE1 3.44Å; T1277-Y1421 HydrophobicContact CG2-CD1 3.81Å; T1277-Y1421 HydrophobicContact CG2-CE1 3.69Å; T1277-Y1421 WeakPolarHBondContact OG1-CE1 3.37Å; H1280-Y1421 HydrophobicContact CB-CE2 4.49Å; H1280-Y1421 AromaticContact CD2-CE2 3.58Å; L1410-Y1421 HydrophobicContact CD1-CD1 4.24Å; Y1421-Y1427 CarbonylContact C-O 3.51Å; Y1421-Y1427 VanDerWaalsContact CA-O 3.23Å; Y1421-Y1427 WeakPolarHBondContact CA-O 3.47Å; Y1421-F1442 HydrophobicContact CE1-CE1 4.37Å; Y1421-F1442 HydrophobicContact CE2-CD1 4.5Å; Y1421-F1442 HydrophobicContact CE2-CE1 4.01Å; Y1421-F1442 AromaticContact CZ-CE1 3.74Å; Y1421-M1463 HydrophobicContact CE2-CE 3.76Å; Y1421-M1463 WeakPolarHBondContact OH-CE 3.49Å
1422C93.6Very high89.1Confident0 Ų035.9 Ų35.90%018%0.178CC..PPolyproline II helixtrans-70.2127.1172.1174.60000110.3I1424 T1425 G1426 Y1427 V1429 P1443 L1445C1422-I1424 PolarHBondContact O-N 3.49Å; C1422-I1424 VanDerWaalsContact O-N 3.09Å; C1422-I1424 PolarHBondContact SG-N 3.31Å; C1422-T1425 VanDerWaalsContact CB-OG1 3.27Å; C1422-T1425 WeakPolarHBondContact CB-OG1 3.47Å; C1422-T1425 PolarHBondContact SG-N 2.92Å; C1422-T1425 PolarHBondContact SG-OG1 2.83Å; C1422-T1425 VanDerWaalsContact SG-OG1 3.36Å; C1422-G1426 VanDerWaalsContact O-CA 3.31Å; C1422-G1426 WeakPolarHBondContact O-CA 3.47Å; C1422-G1426 PolarHBondContact O-N 3.36Å; C1422-Y1427 PolarHBondContact N-O 3.06Å; C1422-V1429 HydrophobicContact CB-CG1 4.13Å; C1422-P1443 WeakPolarHBondContact CA-O 3.41Å; C1422-L1445 HydrophobicContact CB-CD1 4.29Å; C1422-L1445 HydrophobicContact CB-CG 4.1Å; C1422-L1445 PolarHBondContact SG-N 3.4Å
1423V93.6Very high89.3Confident0 Ų037.4 Ų37.40%019%0.186CC..THydrogen-bonded Turntrans-63-13179.179.70000114.7H1280 F1442 P1443 A1444 M1463H1280-V1423 PolarHBondContact NE2-O 3.28Å; H1280-V1423 VanDerWaalsContact NE2-O 3.09Å; V1423-F1442 HydrophobicContact CB-CB 4.22Å; V1423-F1442 HydrophobicContact CG2-CB 3.99Å; V1423-F1442 HydrophobicContact CG2-CG 4.47Å; V1423-P1443 WeakPolarHBondContact CB-O 3.42Å; V1423-P1443 PolarHBondContact N-O 3.37Å; V1423-A1444 HydrophobicContact CG1-CB 3.82Å; V1423-M1463 HydrophobicContact CG2-CB 3.34Å; V1423-M1463 HydrophobicContact CG2-CE 4.28Å; V1423-M1463 HydrophobicContact CG2-CG 4.13Å
1424I93.5Very high89.7Confident5 Ų532.4 Ų32.43%0.02616%0.155CC..THydrogen-bonded Turntrans-106.1-42.7-179.3-61-58000111.9L1284 H1288 C1422 L1449 Y1452 P1462L1284-I1424 WeakPolarHBondContact CD2-O 3.12Å; H1288-I1424 PolarHBondContact CE1-O 3Å; H1288-I1424 PolarHBondContact NE2-O 3.46Å; C1422-I1424 PolarHBondContact O-N 3.49Å; C1422-I1424 VanDerWaalsContact O-N 3.09Å; C1422-I1424 PolarHBondContact SG-N 3.31Å; I1424-L1449 HydrophobicContact CD1-CD1 3.7Å; I1424-L1449 HydrophobicContact CG1-CB 4.37Å; I1424-L1449 HydrophobicContact CG1-CD1 3.39Å; I1424-L1449 HydrophobicContact CG1-CG 4.48Å; I1424-Y1452 HydrophobicContact CD1-CD1 3.82Å; I1424-Y1452 HydrophobicContact CD1-CE1 4.08Å; I1424-Y1452 HydrophobicContact CD1-CG 4.19Å; I1424-Y1452 HydrophobicContact CG2-CD2 4.13Å; I1424-Y1452 HydrophobicContact CG2-CG 3.97Å; I1424-P1462 HydrophobicContact CD1-CG 4.02Å
1425T92.3Very high90.1Very high2 Ų225.4 Ų25.41%0.01212%0.123CC..THydrogen-bonded Turntrans-102.7-20.6-174.560.10000113.6L1296 M1300 C1422 Y1427 E1448L1296-T1425 HydrophobicContact CD2-CG2 4Å; M1300-T1425 WeakPolarHBondContact CE-O 3.47Å; C1422-T1425 VanDerWaalsContact CB-OG1 3.27Å; C1422-T1425 WeakPolarHBondContact CB-OG1 3.47Å; C1422-T1425 PolarHBondContact SG-N 2.92Å; C1422-T1425 PolarHBondContact SG-OG1 2.83Å; C1422-T1425 VanDerWaalsContact SG-OG1 3.36Å; T1425-Y1427 PolarHBondContact O-N 3.12Å; T1425-Y1427 PolarHBondContact OG1-N 3.26Å; T1425-E1448 HydrophobicContact CG2-CB 3.75Å; T1425-E1448 HydrophobicContact CG2-CG 3.82Å
1426G91.6Very high90.4Very high0 Ų025 Ų250%012%0.119CC..  trans73.11.3-172.200000114.7R1303 C1422R1303-G1426 VanDerWaalsContact CZ-O 3.3Å; R1303-G1426 PolarHBondContact NH1-O 3.33Å; R1303-G1426 PolarHBondContact NH2-O 3.06Å; C1422-G1426 VanDerWaalsContact O-CA 3.31Å; C1422-G1426 WeakPolarHBondContact O-CA 3.47Å; C1422-G1426 PolarHBondContact O-N 3.36Å
1427Y93.5Very high90.9Very high22 Ų2217.7 Ų17.79%0.0869%0.091CC..SBendtrans-79164.3174.3-64.9-4.3000111L1296 R1299 M1300 E1407 T1408 Y1421 C1422 T1425L1296-Y1427 HydrophobicContact CD2-CD2 4.48Å; L1296-Y1427 HydrophobicContact CD2-CE1 3.93Å; L1296-Y1427 HydrophobicContact CD2-CE2 3.82Å; R1299-Y1427 HydrophobicContact CB-CE1 4.04Å; R1299-Y1427 HydrophobicContact CG-CE1 4.49Å; M1300-Y1427 HydrophobicContact CE-CD1 3.84Å; M1300-Y1427 HydrophobicContact CE-CE1 3.8Å; E1407-Y1427 HydrophobicContact CB-CD2 3.89Å; E1407-Y1427 HydrophobicContact CB-CE2 4.32Å; E1407-Y1427 HydrophobicContact CB-CG 4.25Å; E1407-Y1427 CarbonylContact O-C 3.44Å; E1407-Y1427 WeakPolarHBondContact O-CA 3.34Å; E1407-Y1427 VanDerWaalsContact O-CB 3.26Å; E1407-Y1427 WeakPolarHBondContact O-CB 3.44Å; T1408-Y1427 HydrophobicContact CG2-CD1 3.74Å; T1408-Y1427 HydrophobicContact CG2-CE1 3.49Å; T1408-Y1427 VanDerWaalsContact CG2-CE1 3.49Å; Y1421-Y1427 CarbonylContact C-O 3.51Å; Y1421-Y1427 VanDerWaalsContact CA-O 3.23Å; Y1421-Y1427 WeakPolarHBondContact CA-O 3.47Å; C1422-Y1427 PolarHBondContact N-O 3.06Å; T1425-Y1427 PolarHBondContact O-N 3.12Å; T1425-Y1427 PolarHBondContact OG1-N 3.26Å
1428H92.2Very high91.2Very high1 Ų119.9 Ų19.91%0.00511%0.106CC..BIsolated β-bridgetrans-66148.5174.872.6-97.5000111.2T1396 L1406 E1407 S1409 L1410 I1419T1396-H1428 PolarHBondContact OG1-CE1 3.06Å; T1396-H1428 PolarHBondContact OG1-NE2 3.3Å; L1406-H1428 PolarHBondContact O-CE1 3.33Å; L1406-H1428 VanDerWaalsContact O-CE1 3.3Å; L1406-H1428 PolarHBondContact O-ND1 2.86Å; L1406-H1428 VanDerWaalsContact O-ND1 3.16Å; E1407-H1428 PolarHBondContact O-N 3.43Å; E1407-H1428 PolarHBondContact O-ND1 3.45Å; S1409-H1428 WeakPolarHBondContact O-CB 2.98Å; S1409-H1428 PolarHBondContact O-ND1 2.92Å; L1410-H1428 HydrophobicContact CD2-CB 4.08Å; I1419-H1428 HydrophobicContact CB-CB 4.43Å; I1419-H1428 HydrophobicContact CG2-CB 3.96Å
1429V92.9Very high91.2Very high0 Ų020.1 Ų20.10%011%0.112CC..PPolyproline II helixtrans-81.4150.7177.7-64.20000112.2P1399 P1420 C1422 F1434 P1443 L1483P1399-V1429 WeakPolarHBondContact CG-O 3.41Å; P1420-V1429 HydrophobicContact CB-CG2 4.36Å; P1420-V1429 HydrophobicContact CG-CG2 3.84Å; P1420-V1429 WeakPolarHBondContact O-CG2 3.42Å; P1420-V1429 PolarHBondContact O-N 3.46Å; P1420-V1429 VanDerWaalsContact O-N 3.16Å; C1422-V1429 HydrophobicContact CB-CG1 4.13Å; V1429-F1434 HydrophobicContact CB-CD2 4.08Å; V1429-F1434 HydrophobicContact CB-CE2 4.26Å; V1429-F1434 HydrophobicContact CG2-CD2 4.13Å; V1429-F1434 HydrophobicContact CG2-CE2 3.96Å; V1429-P1443 HydrophobicContact CG1-CB 3.76Å; V1429-P1443 HydrophobicContact CG2-CB 4.48Å; V1429-L1483 HydrophobicContact CG2-CD1 4.28Å
1430I91.2Very high91.2Very high29 Ų2920.2 Ų20.215%0.14911%0.113CC..  trans-115.4136.8-177.8-44.5159.7000108.8T1396 P1397 N1432 D1433 L1445T1396-I1430 HydrophobicContact CG2-CD1 3.8Å; P1397-I1430 HydrophobicContact CG-CG2 3.92Å; I1430-N1432 VanDerWaalsContact C-N 3.28Å; I1430-N1432 PolarHBondContact O-N 3.03Å; I1430-D1433 CarbonylContact O-C 3.54Å; I1430-D1433 PolarHBondContact O-N 3.31Å; I1430-D1433 VanDerWaalsContact O-N 3.14Å; I1430-L1445 HydrophobicContact CB-CD2 4.14Å; I1430-L1445 HydrophobicContact CD1-CD2 3.88Å; I1430-L1445 HydrophobicContact CG1-CD2 3.84Å
1431K88.4Confident91.2Very high89 Ų8926.3 Ų26.339%0.38714%0.141SC..G310 helixtrans-55.9-40.5-173.5-163.3175.9-177.3176.10113.5P1399 S1479 S1480P1399-K1431 HydrophobicContact CB-CB 4.42Å; K1431-S1479 WeakPolarHBondContact CG-OG 3.42Å; K1431-S1479 PolarHBondContact O-OG 3.36Å; K1431-S1480 WeakPolarHBondContact CE-OG 3.19Å; K1431-S1480 PolarHBondContact NZ-OG 2.94Å; K1431-S1480 VanDerWaalsContact NZ-OG 3.08Å
1432N87.7Confident91.1Very high124 Ų12426.4 Ų26.466%0.66314%0.142SC*.G310 helixtrans-80.3-17.8-176.4-68.7-7000113.8I1430 R1475I1430-N1432 VanDerWaalsContact C-N 3.28Å; I1430-N1432 PolarHBondContact O-N 3.03Å; N1432-R1475 PolarHBondContact O-NE 3.34Å; N1432-R1475 PolarHBondContact O-NH2 3.17Å
1433D91Very high91Very high31 Ų3126.4 Ų26.417%0.16614%0.142CC..G310 helixtrans-122.250.3-178.2-17234000110.7I1430 L1445 Y1446 S1447I1430-D1433 CarbonylContact O-C 3.54Å; I1430-D1433 PolarHBondContact O-N 3.31Å; I1430-D1433 VanDerWaalsContact O-N 3.14Å; D1433-L1445 HydrophobicContact CB-CD2 4.27Å; D1433-L1445 CarbonylContact O-C 3.59Å; D1433-L1445 VanDerWaalsContact O-CA 3.24Å; D1433-L1445 WeakPolarHBondContact O-CA 3.41Å; D1433-Y1446 PolarHBondContact O-N 3.41Å; D1433-Y1446 WeakPolarHBondContact OD1-CB 3.48Å; D1433-S1447 PolarHBondContact OD1-N 3.47Å; D1433-S1447 VanDerWaalsContact OD2-CB 3.31Å; D1433-S1447 WeakPolarHBondContact OD2-CB 3.37Å; D1433-S1447 PolarHBondContact OD2-N 3.04Å; D1433-S1447 PolarHBondContact OD2-OG 2.97Å
1434F93.3Very high91Very high0 Ų026.4 Ų26.40%014%0.142CC..EExtended strand (participates in β ladder)trans-104.8135.7-171.3-169.8-95.7000112.8V1429 T1436 P1443 L1476 S1479 I1482 L1483V1429-F1434 HydrophobicContact CB-CD2 4.08Å; V1429-F1434 HydrophobicContact CB-CE2 4.26Å; V1429-F1434 HydrophobicContact CG2-CD2 4.13Å; V1429-F1434 HydrophobicContact CG2-CE2 3.96Å; F1434-T1436 HydrophobicContact CE1-CG2 3.75Å; F1434-T1436 HydrophobicContact CZ-CG2 4.08Å; F1434-P1443 HydrophobicContact CE2-CB 3.79Å; F1434-P1443 HydrophobicContact CE2-CG 4.42Å; F1434-P1443 HydrophobicContact CZ-CB 4.09Å; F1434-P1443 HydrophobicContact CZ-CG 4.38Å; F1434-L1476 HydrophobicContact CD1-CB 4.16Å; F1434-L1476 HydrophobicContact CD1-CD1 3.77Å; F1434-L1476 HydrophobicContact CE1-CD1 3.82Å; F1434-L1476 PolarHBondContact O-N 3.45Å; F1434-S1479 VanDerWaalsContact CD1-CB 3.43Å; F1434-I1482 HydrophobicContact CE1-CB 4.44Å; F1434-I1482 HydrophobicContact CE1-CG2 4.04Å; F1434-I1482 HydrophobicContact CZ-CG2 4.12Å; F1434-L1483 HydrophobicContact CD2-CD1 3.55Å; F1434-L1483 HydrophobicContact CD2-CG 4.37Å; F1434-L1483 HydrophobicContact CE2-CD1 3.63Å; F1434-L1483 HydrophobicContact CE2-CG 3.93Å; F1434-L1483 HydrophobicContact CG-CD1 4.2Å; F1434-L1483 HydrophobicContact CZ-CD1 4.36Å; F1434-L1483 HydrophobicContact CZ-CG 4.4Å
1435A92.5Very high91Very high0 Ų026.8 Ų26.80%014%0.144CC..EExtended strand (participates in β ladder)trans-140.1167.3166.600000109.9A1444 Y1446 L1449A1435-A1444 PolarHBondContact N-O 2.9Å; A1435-A1444 PolarHBondContact O-N 3.09Å; A1435-Y1446 HydrophobicContact CB-CD2 4.11Å; A1435-Y1446 HydrophobicContact CB-CG 4.49Å; A1435-L1449 HydrophobicContact CB-CD2 4.3Å
1436T92.1Very high91.1Very high32 Ų3229.8 Ų29.820%0.19616%0.155CC..EExtended strand (participates in β ladder)trans-120148.1169.852.20000110F1434 F1442 L1476 I1482F1434-T1436 HydrophobicContact CE1-CG2 3.75Å; F1434-T1436 HydrophobicContact CZ-CG2 4.08Å; T1436-F1442 WeakPolarHBondContact CA-O 3.22Å; T1436-L1476 HydrophobicContact CG2-CD1 4.12Å; T1436-I1482 HydrophobicContact CG2-CG2 4.16Å
1437C91.5Very high91.1Very high0 Ų032.4 Ų32.40%017%0.173CC..  trans-61.7127.9171.9177.20000109.6G1439 C1440 Q1441 F1442C1437-G1439 PolarHBondContact O-N 3.23Å; C1437-G1439 PolarHBondContact SG-N 3.38Å; C1437-C1440 VanDerWaalsContact CB-SG 3.54Å; C1437-Q1441 WeakPolarHBondContact O-CA 3.33Å; C1437-Q1441 PolarHBondContact O-N 3.13Å; C1437-F1442 PolarHBondContact N-O 2.84Å
1438P87.2Confident91Very high59 Ų5933.4 Ų33.438%0.38318%0.179SC..THydrogen-bonded Turntrans-64.9-24-179.721.4-30.2000113.2L1468P1438-L1468 HydrophobicContact CG-CD2 3.8Å
1439G85.7Confident91Very high26 Ų2633.4 Ų33.427%0.26818%0.179SC..THydrogen-bonded Turntrans-81.9-51.2177.200000114C1437 I1466C1437-G1439 PolarHBondContact O-N 3.23Å; C1437-G1439 PolarHBondContact SG-N 3.38Å; G1439-I1466 VanDerWaalsContact CA-CD1 3.42Å
1440C89.5Confident90.9Very high3 Ų334.5 Ų34.52%0.0218%0.184CC..THydrogen-bonded Turntrans-114.1-2.7-171.759.20000116F1255 C1437 F1442 C1464F1255-C1440 HydrophobicContact CE2-CB 3.87Å; F1255-C1440 HydrophobicContact CZ-CB 3.48Å; F1255-C1440 VanDerWaalsContact CZ-CB 3.48Å; C1437-C1440 VanDerWaalsContact CB-SG 3.54Å; C1440-F1442 PolarHBondContact O-N 3.49Å; C1440-F1442 VanDerWaalsContact O-N 3.13Å; C1440-C1464 HydrophobicContact CB-CB 3.61Å
1441Q88.9Confident90.8Very high128 Ų12837.8 Ų37.860%0.59820%0.198SC*.  trans57.821.3-177.1-54.5179.5-6.100114.7C1437C1437-Q1441 WeakPolarHBondContact O-CA 3.33Å; C1437-Q1441 PolarHBondContact O-N 3.13Å
1442F91.1Very high90.9Very high3 Ų334.7 Ų34.71%0.01318%0.184CC..  trans-70.9142.6171.7-118.1-92.4000110.8F1255 F1273 L1276 Y1421 V1423 T1436 C1437 C1440 M1463 W1486F1255-F1442 HydrophobicContact CD2-CD2 4.41Å; F1255-F1442 HydrophobicContact CD2-CE2 4.05Å; F1255-F1442 AromaticContact CE2-CD2 3.98Å; F1255-F1442 HydrophobicContact CE2-CD2 3.98Å; F1255-F1442 HydrophobicContact CE2-CE2 4.04Å; F1273-F1442 HydrophobicContact CE2-CZ 4.48Å; L1276-F1442 HydrophobicContact CD2-CE2 4.48Å; L1276-F1442 HydrophobicContact CD2-CZ 4.07Å; Y1421-F1442 HydrophobicContact CE1-CE1 4.37Å; Y1421-F1442 HydrophobicContact CE2-CD1 4.5Å; Y1421-F1442 HydrophobicContact CE2-CE1 4.01Å; Y1421-F1442 AromaticContact CZ-CE1 3.74Å; V1423-F1442 HydrophobicContact CB-CB 4.22Å; V1423-F1442 HydrophobicContact CG2-CB 3.99Å; V1423-F1442 HydrophobicContact CG2-CG 4.47Å; T1436-F1442 WeakPolarHBondContact CA-O 3.22Å; C1437-F1442 PolarHBondContact N-O 2.84Å; C1440-F1442 PolarHBondContact O-N 3.49Å; C1440-F1442 VanDerWaalsContact O-N 3.13Å; F1442-M1463 HydrophobicContact CD1-CE 3.95Å; F1442-M1463 HydrophobicContact CD2-CE 4.46Å; F1442-M1463 HydrophobicContact CD2-CG 3.98Å; F1442-M1463 HydrophobicContact CE1-CE 3.67Å; F1442-M1463 HydrophobicContact CE2-CE 4.19Å; F1442-M1463 HydrophobicContact CE2-CG 4.21Å; F1442-M1463 HydrophobicContact CE2-SD 4.47Å; F1442-M1463 HydrophobicContact CG-CE 4.33Å; F1442-M1463 HydrophobicContact CG-CG 4.27Å; F1442-M1463 HydrophobicContact CZ-CE 3.77Å; F1442-W1486 AromaticContact CD1-CH2 3.9Å; F1442-W1486 HydrophobicContact CD1-CH2 3.9Å; F1442-W1486 HydrophobicContact CD1-CZ2 4.03Å; F1442-W1486 HydrophobicContact CD2-CH2 4.12Å; F1442-W1486 HydrophobicContact CD2-CZ2 4.11Å; F1442-W1486 AromaticContact CE1-CH2 3.48Å; F1442-W1486 HydrophobicContact CE1-CH2 3.48Å; F1442-W1486 VanDerWaalsContact CE1-CH2 3.48Å; F1442-W1486 HydrophobicContact CE1-CZ2 4.1Å; F1442-W1486 HydrophobicContact CE1-CZ3 4.23Å; F1442-W1486 AromaticContact CE2-CH2 3.75Å; F1442-W1486 HydrophobicContact CE2-CH2 3.75Å; F1442-W1486 HydrophobicContact CE2-CZ2 4.2Å; F1442-W1486 HydrophobicContact CG-CH2 4.21Å; F1442-W1486 HydrophobicContact CG-CZ2 4.05Å; F1442-W1486 AromaticContact CZ-CH2 3.42Å; F1442-W1486 HydrophobicContact CZ-CH2 3.42Å; F1442-W1486 VanDerWaalsContact CZ-CH2 3.42Å; F1442-W1486 HydrophobicContact CZ-CZ2 4.21Å; F1442-W1486 HydrophobicContact CZ-CZ3 4.3Å
1443P92.5Very high91Very high1 Ų129.6 Ų29.61%0.00616%0.157CC..EExtended strand (participates in β ladder)trans-59.5141.7177.4-28.237.5000112.6P1420 C1422 V1423 V1429 F1434 W1486P1420-P1443 HydrophobicContact CB-CB 4.34Å; P1420-P1443 HydrophobicContact CB-CG 3.93Å; C1422-P1443 WeakPolarHBondContact CA-O 3.41Å; V1423-P1443 WeakPolarHBondContact CB-O 3.42Å; V1423-P1443 PolarHBondContact N-O 3.37Å; V1429-P1443 HydrophobicContact CG1-CB 3.76Å; V1429-P1443 HydrophobicContact CG2-CB 4.48Å; F1434-P1443 HydrophobicContact CE2-CB 3.79Å; F1434-P1443 HydrophobicContact CE2-CG 4.42Å; F1434-P1443 HydrophobicContact CZ-CB 4.09Å; F1434-P1443 HydrophobicContact CZ-CG 4.38Å; P1443-W1486 HydrophobicContact CG-CD2 3.8Å; P1443-W1486 VanDerWaalsContact CG-CE2 3.48Å; P1443-W1486 HydrophobicContact CG-CG 3.95Å; P1443-W1486 HydrophobicContact CG-CZ2 3.98Å
1444A93.3Very high90.8Very high0 Ų032.9 Ų32.90%017%0.171CC..EExtended strand (participates in β ladder)trans-145.5149.6177.300000110.2V1423 A1435 Y1446 L1449V1423-A1444 HydrophobicContact CG1-CB 3.82Å; A1435-A1444 PolarHBondContact N-O 2.9Å; A1435-A1444 PolarHBondContact O-N 3.09Å; A1444-Y1446 PolarHBondContact O-N 2.98Å; A1444-L1449 HydrophobicContact CB-CB 4.24Å; A1444-L1449 HydrophobicContact CB-CD1 4.45Å; A1444-L1449 HydrophobicContact CB-CD2 3.94Å; A1444-L1449 HydrophobicContact CB-CG 4.44Å
1445L93.8Very high90.4Very high12 Ų1238.3 Ų38.36%0.06320%0.2CC..EExtended strand (participates in β ladder)trans-72.5123.1163.4-71.5168.5000108.2C1422 I1430 D1433 S1447 E1448 L1449C1422-L1445 HydrophobicContact CB-CD1 4.29Å; C1422-L1445 HydrophobicContact CB-CG 4.1Å; C1422-L1445 PolarHBondContact SG-N 3.4Å; I1430-L1445 HydrophobicContact CB-CD2 4.14Å; I1430-L1445 HydrophobicContact CD1-CD2 3.88Å; I1430-L1445 HydrophobicContact CG1-CD2 3.84Å; D1433-L1445 HydrophobicContact CB-CD2 4.27Å; D1433-L1445 CarbonylContact O-C 3.59Å; D1433-L1445 VanDerWaalsContact O-CA 3.24Å; D1433-L1445 WeakPolarHBondContact O-CA 3.41Å; L1445-S1447 PolarHBondContact O-N 3.45Å; L1445-E1448 HydrophobicContact CB-CB 4.14Å; L1445-E1448 HydrophobicContact CB-CG 4.43Å; L1445-E1448 PolarHBondContact O-N 3.07Å; L1445-L1449 VanDerWaalsContact O-CB 3.23Å; L1445-L1449 WeakPolarHBondContact O-CB 3.45Å; L1445-L1449 PolarHBondContact O-N 3.12Å
1446Y93.5Very high89.9Confident66 Ų6639.3 Ų39.326%0.25921%0.207SC..Hα-helixtrans-61.8-45.6-175.2167.9-97.1000111.3D1433 A1435 A1444 E1448 L1449 M1450 I1473 R1475D1433-Y1446 PolarHBondContact O-N 3.41Å; D1433-Y1446 WeakPolarHBondContact OD1-CB 3.48Å; A1435-Y1446 HydrophobicContact CB-CD2 4.11Å; A1435-Y1446 HydrophobicContact CB-CG 4.49Å; A1444-Y1446 PolarHBondContact O-N 2.98Å; Y1446-E1448 PolarHBondContact O-N 3.47Å; Y1446-L1449 PolarHBondContact O-N 3.02Å; Y1446-M1450 HydrophobicContact CD2-CG 4.25Å; Y1446-M1450 HydrophobicContact CE1-CG 4.24Å; Y1446-M1450 HydrophobicContact CE2-CG 3.75Å; Y1446-M1450 HydrophobicContact CE2-SD 4.47Å; Y1446-M1450 WeakPolarHBondContact O-CB 3.35Å; Y1446-M1450 PolarHBondContact O-N 2.89Å; Y1446-I1473 HydrophobicContact CD2-CG2 4.03Å; Y1446-I1473 HydrophobicContact CE2-CG2 4.04Å; Y1446-R1475 HydrophobicContact CD1-CB 3.94Å; Y1446-R1475 HydrophobicContact CD1-CG 3.99Å; Y1446-R1475 HydrophobicContact CD2-CB 3.56Å; Y1446-R1475 HydrophobicContact CD2-CG 4.26Å; Y1446-R1475 HydrophobicContact CE1-CB 4.11Å; Y1446-R1475 HydrophobicContact CE2-CB 3.74Å; Y1446-R1475 HydrophobicContact CG-CB 3.65Å; Y1446-R1475 HydrophobicContact CG-CG 3.84Å
1447S92.2Very high89.3Confident54 Ų5443.6 Ų43.638%0.37824%0.235SC..Hα-helixtrans-57.5-49.2178.963.70000112.4D1433 L1445 M1450 K1451D1433-S1447 PolarHBondContact OD1-N 3.47Å; D1433-S1447 VanDerWaalsContact OD2-CB 3.31Å; D1433-S1447 WeakPolarHBondContact OD2-CB 3.37Å; D1433-S1447 PolarHBondContact OD2-N 3.04Å; D1433-S1447 PolarHBondContact OD2-OG 2.97Å; L1445-S1447 PolarHBondContact O-N 3.45Å; S1447-M1450 PolarHBondContact O-N 3.31Å; S1447-K1451 WeakPolarHBondContact O-CB 3.42Å; S1447-K1451 PolarHBondContact O-N 3.01Å
1448E91.1Very high89Confident43 Ų4347.8 Ų47.820%0.20126%0.261CS..Hα-helixtrans-72.8-34.6-179.1-69.3-61.413900112.8T1425 L1445 Y1446 M1450 K1451 Y1452T1425-E1448 HydrophobicContact CG2-CB 3.75Å; T1425-E1448 HydrophobicContact CG2-CG 3.82Å; L1445-E1448 HydrophobicContact CB-CB 4.14Å; L1445-E1448 HydrophobicContact CB-CG 4.43Å; L1445-E1448 PolarHBondContact O-N 3.07Å; Y1446-E1448 PolarHBondContact O-N 3.47Å; E1448-M1450 VanDerWaalsContact C-N 3.35Å; E1448-K1451 PolarHBondContact O-N 3.49Å; E1448-K1451 IonicContact OE1-NZ 2.74Å; E1448-Y1452 WeakPolarHBondContact O-CB 3.14Å; E1448-Y1452 PolarHBondContact O-N 2.83Å
1449L91.5Very high89Confident1 Ų145.7 Ų45.71%0.00525%0.248CC..Hα-helixtrans-63.7-41.6173.6-174.668.5000111.3I1424 A1435 A1444 L1445 Y1446 Y1452 V1453 L1468 I1473I1424-L1449 HydrophobicContact CD1-CD1 3.7Å; I1424-L1449 HydrophobicContact CG1-CB 4.37Å; I1424-L1449 HydrophobicContact CG1-CD1 3.39Å; I1424-L1449 HydrophobicContact CG1-CG 4.48Å; A1435-L1449 HydrophobicContact CB-CD2 4.3Å; A1444-L1449 HydrophobicContact CB-CB 4.24Å; A1444-L1449 HydrophobicContact CB-CD1 4.45Å; A1444-L1449 HydrophobicContact CB-CD2 3.94Å; A1444-L1449 HydrophobicContact CB-CG 4.44Å; L1445-L1449 VanDerWaalsContact O-CB 3.23Å; L1445-L1449 WeakPolarHBondContact O-CB 3.45Å; L1445-L1449 PolarHBondContact O-N 3.12Å; Y1446-L1449 PolarHBondContact O-N 3.02Å; L1449-Y1452 PolarHBondContact O-N 3.46Å; L1449-V1453 WeakPolarHBondContact O-CG2 3.25Å; L1449-V1453 PolarHBondContact O-N 3.45Å; L1449-V1453 VanDerWaalsContact O-N 3.14Å; L1449-L1468 HydrophobicContact CD1-CD1 4.02Å; L1449-I1473 HydrophobicContact CD2-CD1 4.06Å; L1449-I1473 HydrophobicContact CD2-CG1 4.07Å; L1449-I1473 HydrophobicContact CD2-CG2 3.75Å; L1449-I1473 HydrophobicContact CG-CD1 3.94Å; L1449-I1473 HydrophobicContact CG-CG2 4.4Å
1450M90.9Very high89.3Confident23 Ų2346.7 Ų46.711%0.11325%0.248CC..Hα-helixtrans-64.6-45.8174.8-82.4-64.1-63.700111.9Y1446 S1447 E1448 Y1452 V1453 E1454 R1470 I1473Y1446-M1450 HydrophobicContact CD2-CG 4.25Å; Y1446-M1450 HydrophobicContact CE1-CG 4.24Å; Y1446-M1450 HydrophobicContact CE2-CG 3.75Å; Y1446-M1450 HydrophobicContact CE2-SD 4.47Å; Y1446-M1450 WeakPolarHBondContact O-CB 3.35Å; Y1446-M1450 PolarHBondContact O-N 2.89Å; S1447-M1450 PolarHBondContact O-N 3.31Å; E1448-M1450 VanDerWaalsContact C-N 3.35Å; M1450-Y1452 VanDerWaalsContact C-N 3.29Å; M1450-Y1452 PolarHBondContact O-N 2.94Å; M1450-V1453 PolarHBondContact O-N 2.85Å; M1450-V1453 VanDerWaalsContact O-N 3.14Å; M1450-E1454 WeakPolarHBondContact O-CG 3.24Å; M1450-E1454 PolarHBondContact O-N 2.99Å; M1450-R1470 HydrophobicContact CE-CG 3.62Å; M1450-R1470 HydrophobicContact SD-CG 4.2Å; M1450-I1473 HydrophobicContact CG-CG2 4.49Å; M1450-I1473 HydrophobicContact SD-CB 4.42Å; M1450-I1473 HydrophobicContact SD-CG2 4.3Å
1451K90Very high89.4Confident99 Ų9946.5 Ų46.543%0.4325%0.247SC..Hα-helixtrans-60.8-39.2178.4-152-177.9-171.1-176.10112S1447 E1448 E1454 N1455S1447-K1451 WeakPolarHBondContact O-CB 3.42Å; S1447-K1451 PolarHBondContact O-N 3.01Å; E1448-K1451 PolarHBondContact O-N 3.49Å; E1448-K1451 IonicContact OE1-NZ 2.74Å; K1451-E1454 PolarHBondContact O-N 3.01Å; K1451-N1455 WeakPolarHBondContact O-CB 3.44Å; K1451-N1455 PolarHBondContact O-N 3.27Å; K1451-N1455 VanDerWaalsContact O-N 3.07Å; K1451-N1455 PolarHBondContact O-ND2 3.45Å
1452Y89.8Confident89.5Confident23 Ų2340.8 Ų40.89%0.0922%0.221CC..Hα-helixtrans-64.2-40.9174.7178.9-101.1000112.4V1287 I1424 E1448 L1449 M1450 C1456 P1459 V1460V1287-Y1452 HydrophobicContact CG1-CE2 3.78Å; I1424-Y1452 HydrophobicContact CD1-CD1 3.82Å; I1424-Y1452 HydrophobicContact CD1-CE1 4.08Å; I1424-Y1452 HydrophobicContact CD1-CG 4.19Å; I1424-Y1452 HydrophobicContact CG2-CD2 4.13Å; I1424-Y1452 HydrophobicContact CG2-CG 3.97Å; E1448-Y1452 WeakPolarHBondContact O-CB 3.14Å; E1448-Y1452 PolarHBondContact O-N 2.83Å; L1449-Y1452 PolarHBondContact O-N 3.46Å; M1450-Y1452 VanDerWaalsContact C-N 3.29Å; M1450-Y1452 PolarHBondContact O-N 2.94Å; Y1452-C1456 HydrophobicContact CE2-CB 4.44Å; Y1452-C1456 WeakPolarHBondContact O-CB 3.39Å; Y1452-C1456 PolarHBondContact O-N 3.31Å; Y1452-C1456 VanDerWaalsContact O-N 3.1Å; Y1452-P1459 HydrophobicContact CE1-CB 4.37Å; Y1452-V1460 WeakPolarHBondContact CE1-O 3.47Å; Y1452-V1460 PolarHBondContact OH-O 3.34Å; Y1452-V1460 VanDerWaalsContact OH-O 3.13Å
1453V89Confident89.6Confident17 Ų1740.6 Ų40.610%0.10322%0.22CC..Hα-helixtrans-68.7-34.1176.8171.90000112.5L1449 M1450 P1459 L1468 I1473L1449-V1453 WeakPolarHBondContact O-CG2 3.25Å; L1449-V1453 PolarHBondContact O-N 3.45Å; L1449-V1453 VanDerWaalsContact O-N 3.14Å; M1450-V1453 PolarHBondContact O-N 2.85Å; M1450-V1453 VanDerWaalsContact O-N 3.14Å; V1453-P1459 HydrophobicContact CB-CB 4.34Å; V1453-P1459 HydrophobicContact CB-CG 4.43Å; V1453-P1459 HydrophobicContact CG1-CB 4.48Å; V1453-P1459 HydrophobicContact CG1-CG 4.05Å; V1453-P1459 HydrophobicContact CG2-CB 4.05Å; V1453-P1459 HydrophobicContact CG2-CG 4.46Å; V1453-L1468 HydrophobicContact CG2-CB 3.79Å; V1453-L1468 HydrophobicContact CG2-CD1 4.32Å; V1453-I1473 HydrophobicContact CB-CD1 4.42Å; V1453-I1473 HydrophobicContact CG2-CD1 3.57Å
1454E87Confident89.5Confident101 Ų10141.9 Ų41.947%0.47223%0.229SC..Hα-helixtrans-73.7-37.4178.6-72.3-179.3151.900113.2M1450 K1451 R1470M1450-E1454 WeakPolarHBondContact O-CG 3.24Å; M1450-E1454 PolarHBondContact O-N 2.99Å; K1451-E1454 PolarHBondContact O-N 3.01Å; E1454-R1470 IonicContact OE1-CZ 3.48Å; E1454-R1470 IonicContact OE1-NH1 3.87Å; E1454-R1470 PolarHBondContact OE1-NH1 3.08Å; E1454-R1470 IonicContact OE1-NH2 3.58Å; E1454-R1470 PolarHBondContact OE1-NH2 3.12Å
1455N85.7Confident89.4Confident114 Ų11446.2 Ų46.261%0.6125%0.252SS*.Hα-helixtrans-92.8-20-173-67.5-26.8000113.9K1451K1451-N1455 WeakPolarHBondContact O-CB 3.44Å; K1451-N1455 PolarHBondContact O-N 3.27Å; K1451-N1455 VanDerWaalsContact O-N 3.07Å; K1451-N1455 PolarHBondContact O-ND2 3.45Å
1456C81.8Confident89.2Confident20 Ų2049.3 Ų49.314%0.13527%0.268CS..  trans-95124-177.1-159.10000110.4Y1452 T1458 P1459Y1452-C1456 HydrophobicContact CE2-CB 4.44Å; Y1452-C1456 WeakPolarHBondContact O-CB 3.39Å; Y1452-C1456 PolarHBondContact O-N 3.31Å; Y1452-C1456 VanDerWaalsContact O-N 3.1Å; C1456-T1458 VanDerWaalsContact C-N 3.26Å; C1456-T1458 PolarHBondContact O-N 3.4Å; C1456-P1459 HydrophobicContact CB-CB 4.22Å; C1456-P1459 VanDerWaalsContact O-CD 3.31Å; C1456-P1459 WeakPolarHBondContact O-CD 3.25Å
1457P79.2Confident89Confident122 Ų12251.8 Ų51.879%0.79228%0.281SS*.SBendtrans-64.9-27.4-173.921.6-31.1000113.9
1458T86.1Confident88.9Confident89 Ų8949.3 Ų49.355%0.54626%0.264SS..SBendtrans-133.880.1173.853.20000108.6C1456 V1460C1456-T1458 VanDerWaalsContact C-N 3.26Å; C1456-T1458 PolarHBondContact O-N 3.4Å; T1458-V1460 PolarHBondContact O-N 3.03Å; T1458-V1460 VanDerWaalsContact O-N 3.15Å
1459P86.4Confident88.7Confident15 Ų1551 Ų5110%0.09728%0.277CS..  trans-74.6111.5-172.125.1-25000109.9Y1452 V1453 C1456 H1467 L1468Y1452-P1459 HydrophobicContact CE1-CB 4.37Å; V1453-P1459 HydrophobicContact CB-CB 4.34Å; V1453-P1459 HydrophobicContact CB-CG 4.43Å; V1453-P1459 HydrophobicContact CG1-CB 4.48Å; V1453-P1459 HydrophobicContact CG1-CG 4.05Å; V1453-P1459 HydrophobicContact CG2-CB 4.05Å; V1453-P1459 HydrophobicContact CG2-CG 4.46Å; C1456-P1459 HydrophobicContact CB-CB 4.22Å; C1456-P1459 VanDerWaalsContact O-CD 3.31Å; C1456-P1459 WeakPolarHBondContact O-CD 3.25Å; P1459-H1467 PolarHBondContact O-ND1 3.49Å; P1459-L1468 WeakPolarHBondContact CG-O 3.3Å; P1459-L1468 PolarHBondContact O-N 3.29Å
1460V92Very high88.3Confident46 Ų4657.9 Ų57.928%0.27930%0.303SS..BIsolated β-bridgetrans-117.3141.3172.7-84.30000109.4Y1452 T1458 P1462 I1466 H1467Y1452-V1460 WeakPolarHBondContact CE1-O 3.47Å; Y1452-V1460 PolarHBondContact OH-O 3.34Å; Y1452-V1460 VanDerWaalsContact OH-O 3.13Å; T1458-V1460 PolarHBondContact O-N 3.03Å; T1458-V1460 VanDerWaalsContact O-N 3.15Å; V1460-P1462 WeakPolarHBondContact O-CD 3.25Å; V1460-I1466 WeakPolarHBondContact CA-O 3.49Å; V1460-H1467 HydrophobicContact CG1-CB 4.47Å
1461C92.4Very high88Confident0 Ų063.8 Ų63.80%034%0.335CS..  trans-62.3123.7176.2178.40000110.1M1463 C1464 N1465 I1466 L1468C1461-M1463 PolarHBondContact O-N 3.33Å; C1461-M1463 VanDerWaalsContact O-N 3.16Å; C1461-C1464 VanDerWaalsContact SG-SG 3.69Å; C1461-N1465 VanDerWaalsContact O-CA 3.26Å; C1461-N1465 WeakPolarHBondContact O-CA 3.43Å; C1461-N1465 PolarHBondContact O-N 3.4Å; C1461-I1466 PolarHBondContact N-O 3.45Å; C1461-L1468 HydrophobicContact CB-CD1 4.06Å; C1461-L1468 HydrophobicContact CB-CD2 4.42Å; C1461-L1468 HydrophobicContact CB-CG 4.27Å
1462P90.5Very high87.7Confident7 Ų761.3 Ų61.35%0.04533%0.33CS..THydrogen-bonded Turntrans-61.8-25.8-179.2-20.931.6000113.5R1248 I1283 L1284 I1424 V1460R1248-P1462 PolarHBondContact NH1-O 2.96Å; R1248-P1462 PolarHBondContact NH2-O 3.49Å; I1283-P1462 HydrophobicContact CG2-CB 4.48Å; L1284-P1462 HydrophobicContact CD2-CB 3.91Å; L1284-P1462 HydrophobicContact CD2-CG 3.83Å; I1424-P1462 HydrophobicContact CD1-CG 4.02Å; V1460-P1462 WeakPolarHBondContact O-CD 3.25Å
1463M92.8Very high87.5Confident0 Ų060.7 Ų60.70%033%0.329CS..THydrogen-bonded Turntrans-82.1-50.1-178.3-165.165.684.800112.7H1251 F1255 L1276 H1280 Y1421 V1423 F1442 C1461H1251-M1463 PolarHBondContact CE1-O 3.37Å; H1251-M1463 VanDerWaalsContact CE1-SD 3.58Å; H1251-M1463 PolarHBondContact NE2-SD 3.05Å; F1255-M1463 HydrophobicContact CD2-CG 3.57Å; F1255-M1463 HydrophobicContact CD2-SD 3.98Å; F1255-M1463 HydrophobicContact CE2-CG 3.66Å; F1255-M1463 HydrophobicContact CG-CG 4.33Å; F1255-M1463 HydrophobicContact CZ-CG 4.48Å; L1276-M1463 HydrophobicContact CD1-SD 4.24Å; H1280-M1463 HydrophobicContact CB-CE 3.97Å; H1280-M1463 WeakPolarHBondContact CE1-CE 3.25Å; H1280-M1463 WeakPolarHBondContact ND1-CE 3.45Å; H1280-M1463 PolarHBondContact ND1-SD 2.89Å; H1280-M1463 VanDerWaalsContact ND1-SD 3.37Å; Y1421-M1463 HydrophobicContact CE2-CE 3.76Å; Y1421-M1463 WeakPolarHBondContact OH-CE 3.49Å; V1423-M1463 HydrophobicContact CG2-CB 3.34Å; V1423-M1463 HydrophobicContact CG2-CE 4.28Å; V1423-M1463 HydrophobicContact CG2-CG 4.13Å; F1442-M1463 HydrophobicContact CD1-CE 3.95Å; F1442-M1463 HydrophobicContact CD2-CE 4.46Å; F1442-M1463 HydrophobicContact CD2-CG 3.98Å; F1442-M1463 HydrophobicContact CE1-CE 3.67Å; F1442-M1463 HydrophobicContact CE2-CE 4.19Å; F1442-M1463 HydrophobicContact CE2-CG 4.21Å; F1442-M1463 HydrophobicContact CE2-SD 4.47Å; F1442-M1463 HydrophobicContact CG-CE 4.33Å; F1442-M1463 HydrophobicContact CG-CG 4.27Å; F1442-M1463 HydrophobicContact CZ-CE 3.77Å; C1461-M1463 PolarHBondContact O-N 3.33Å; C1461-M1463 VanDerWaalsContact O-N 3.16Å
1464C91.4Very high87.3Confident27 Ų2769.7 Ų69.718%0.18236%0.36CS..THydrogen-bonded Turntrans-114.31.3-174.368.20000115.9F1255 C1440 C1461 I1466F1255-C1464 HydrophobicContact CE1-CB 3.93Å; F1255-C1464 HydrophobicContact CZ-CB 3.81Å; C1440-C1464 HydrophobicContact CB-CB 3.61Å; C1461-C1464 VanDerWaalsContact SG-SG 3.69Å; C1464-I1466 PolarHBondContact O-N 3.23Å
1465N90Very high87.3Confident92 Ų9271.4 Ų71.449%0.49236%0.363SS..  trans58.110-177.4-78-8.9000116.4R1248 C1461R1248-N1465 PolarHBondContact NH2-ND2 3.36Å; R1248-N1465 PolarHBondContact NH2-OD1 3.26Å; R1248-N1465 VanDerWaalsContact NH2-OD1 3.11Å; C1461-N1465 VanDerWaalsContact O-CA 3.26Å; C1461-N1465 WeakPolarHBondContact O-CA 3.43Å; C1461-N1465 PolarHBondContact O-N 3.4Å
1466I89.2Confident87.2Confident77 Ų7768.3 Ų68.340%0.39535%0.346SS..PPolyproline II helixtrans-70.2138.1173.1-78.2166.9000110.2G1439 V1460 C1461 C1464 L1468G1439-I1466 VanDerWaalsContact CA-CD1 3.42Å; V1460-I1466 WeakPolarHBondContact CA-O 3.49Å; C1461-I1466 PolarHBondContact N-O 3.45Å; C1464-I1466 PolarHBondContact O-N 3.23Å; I1466-L1468 PolarHBondContact O-N 3.4Å
1467H90.2Very high87Confident117 Ų11775.7 Ų75.754%0.54238%0.382SS..BIsolated β-bridgetrans-65.4126.8174.4-123.6-63.9000110.2P1459 V1460P1459-H1467 PolarHBondContact O-ND1 3.49Å; V1460-H1467 HydrophobicContact CG1-CB 4.47Å
1468L89.1Confident87Confident3 Ų374.9 Ų74.92%0.01637%0.371CS..PPolyproline II helixtrans-98.3128.6180-64.8170.1000109.1P1438 L1449 V1453 P1459 C1461 I1466P1438-L1468 HydrophobicContact CG-CD2 3.8Å; L1449-L1468 HydrophobicContact CD1-CD1 4.02Å; V1453-L1468 HydrophobicContact CG2-CB 3.79Å; V1453-L1468 HydrophobicContact CG2-CD1 4.32Å; P1459-L1468 WeakPolarHBondContact CG-O 3.3Å; P1459-L1468 PolarHBondContact O-N 3.29Å; C1461-L1468 HydrophobicContact CB-CD1 4.06Å; C1461-L1468 HydrophobicContact CB-CD2 4.42Å; C1461-L1468 HydrophobicContact CB-CG 4.27Å; I1466-L1468 PolarHBondContact O-N 3.4Å
1469T86.8Confident86.8Confident77 Ų7770.7 Ų70.747%0.47235%0.345SS..  trans-116.5150.3171.858.90000109.9D1471 S1472T1469-D1471 PolarHBondContact O-N 3.31Å; T1469-D1471 VanDerWaalsContact O-N 3.16Å; T1469-S1472 PolarHBondContact N-OG 3.45Å; T1469-S1472 PolarHBondContact O-N 3.05Å; T1469-S1472 PolarHBondContact O-OG 3.03Å; T1469-S1472 PolarHBondContact OG1-OG 3.48Å
1470R84.6Confident86.5Confident146 Ų14670.9 Ų70.955%0.55135%0.347SS*.G310 helixtrans-53.4-38-178.7-155.7-177.4176.813410.8112.3M1450 E1454 S1472M1450-R1470 HydrophobicContact CE-CG 3.62Å; M1450-R1470 HydrophobicContact SD-CG 4.2Å; E1454-R1470 IonicContact OE1-CZ 3.48Å; E1454-R1470 IonicContact OE1-NH1 3.87Å; E1454-R1470 PolarHBondContact OE1-NH1 3.08Å; E1454-R1470 IonicContact OE1-NH2 3.58Å; E1454-R1470 PolarHBondContact OE1-NH2 3.12Å; R1470-S1472 VanDerWaalsContact C-N 3.31Å; R1470-S1472 PolarHBondContact O-N 2.89Å
1471D83.5Confident85.9Confident148 Ų14872.8 Ų72.879%0.79136%0.356SS*.G310 helixtrans-72.5-21.6-178.3-57.5-26.3000114T1469T1469-D1471 PolarHBondContact O-N 3.31Å; T1469-D1471 VanDerWaalsContact O-N 3.16Å
1472S83.4Confident85.5Confident46 Ų4675.3 Ų75.332%0.32237%0.369SS..G310 helixtrans-84.4-13.7-178.2680000113.6T1469 R1470T1469-S1472 PolarHBondContact N-OG 3.45Å; T1469-S1472 PolarHBondContact O-N 3.05Å; T1469-S1472 PolarHBondContact O-OG 3.03Å; T1469-S1472 PolarHBondContact OG1-OG 3.48Å; R1470-S1472 VanDerWaalsContact C-N 3.31Å; R1470-S1472 PolarHBondContact O-N 2.89Å
1473I85.5Confident85.2Confident11 Ų1175.1 Ų75.16%0.05637%0.367CS..  trans-98.6125.6-175.2-64163.7000109.5Y1446 L1449 M1450 V1453Y1446-I1473 HydrophobicContact CD2-CG2 4.03Å; Y1446-I1473 HydrophobicContact CE2-CG2 4.04Å; L1449-I1473 HydrophobicContact CD2-CD1 4.06Å; L1449-I1473 HydrophobicContact CD2-CG1 4.07Å; L1449-I1473 HydrophobicContact CD2-CG2 3.75Å; L1449-I1473 HydrophobicContact CG-CD1 3.94Å; L1449-I1473 HydrophobicContact CG-CG2 4.4Å; M1450-I1473 HydrophobicContact CG-CG2 4.49Å; M1450-I1473 HydrophobicContact SD-CB 4.42Å; M1450-I1473 HydrophobicContact SD-CG2 4.3Å; V1453-I1473 HydrophobicContact CB-CD1 4.42Å; V1453-I1473 HydrophobicContact CG2-CD1 3.57Å
1474R85.1Confident84.7Confident205 Ų20579.3 Ų79.377%0.77439%0.39SS*.  trans-124.1136.2174.4-63.6-161.7-179.2-144.52.2111.1
1475R88.4Confident84.2Confident138 Ų13883.4 Ų83.452%0.52141%0.406SS..BIsolated β-bridgetrans-71.2127.2166.4-170.5175.7173.4-168.8-1.7108.6N1432 Y1446N1432-R1475 PolarHBondContact O-NE 3.34Å; N1432-R1475 PolarHBondContact O-NH2 3.17Å; Y1446-R1475 HydrophobicContact CD1-CB 3.94Å; Y1446-R1475 HydrophobicContact CD1-CG 3.99Å; Y1446-R1475 HydrophobicContact CD2-CB 3.56Å; Y1446-R1475 HydrophobicContact CD2-CG 4.26Å; Y1446-R1475 HydrophobicContact CE1-CB 4.11Å; Y1446-R1475 HydrophobicContact CE2-CB 3.74Å; Y1446-R1475 HydrophobicContact CG-CB 3.65Å; Y1446-R1475 HydrophobicContact CG-CG 3.84Å
1476L82.2Confident83.9Confident49 Ų4979.1 Ų79.126%0.25738%0.383SS..  trans-85.7116.4174.5-79155.3000108.6F1434 T1436 I1482F1434-L1476 HydrophobicContact CD1-CB 4.16Å; F1434-L1476 HydrophobicContact CD1-CD1 3.77Å; F1434-L1476 HydrophobicContact CE1-CD1 3.82Å; F1434-L1476 PolarHBondContact O-N 3.45Å; T1436-L1476 HydrophobicContact CG2-CD1 4.12Å; L1476-I1482 HydrophobicContact CD1-CD1 3.76Å; L1476-I1482 HydrophobicContact CD2-CD1 4.17Å
1477I77.5Confident83.5Confident174 Ų17476.1 Ų76.189%0.89237%0.368SS*.SBendtrans-73.6-40-178.7-56.7169.6000110.4
1478D79.2Confident82.8Confident105 Ų10573.8 Ų73.856%0.56137%0.365SS*.  trans-113.796.5169.7-164.5-2.1000109.6S1480D1478-S1480 VanDerWaalsContact OD1-CB 3.32Å; D1478-S1480 WeakPolarHBondContact OD1-CB 3.49Å; D1478-S1480 PolarHBondContact OD1-N 3.06Å; D1478-S1480 PolarHBondContact OD1-OG 3.04Å
1479S82.1Confident81.9Confident1 Ų174.7 Ų74.71%0.00737%0.371CS..  trans-87.2-6.7-179.653.10000113K1431 F1434 D1481 I1482 L1483K1431-S1479 WeakPolarHBondContact CG-OG 3.42Å; K1431-S1479 PolarHBondContact O-OG 3.36Å; F1434-S1479 VanDerWaalsContact CD1-CB 3.43Å; S1479-D1481 PolarHBondContact O-N 3.45Å; S1479-I1482 PolarHBondContact O-N 2.73Å; S1479-L1483 WeakPolarHBondContact O-CB 3.15Å; S1479-L1483 PolarHBondContact O-N 3.14Å
1480S81Confident81Confident19 Ų1971.7 Ų71.713%0.13335%0.352CS..Hα-helixtrans-55.3-45.5-165.4-50.60000113.4K1431 D1478 N1484K1431-S1480 WeakPolarHBondContact CE-OG 3.19Å; K1431-S1480 PolarHBondContact NZ-OG 2.94Å; K1431-S1480 VanDerWaalsContact NZ-OG 3.08Å; D1478-S1480 VanDerWaalsContact OD1-CB 3.32Å; D1478-S1480 WeakPolarHBondContact OD1-CB 3.49Å; D1478-S1480 PolarHBondContact OD1-N 3.06Å; D1478-S1480 PolarHBondContact OD1-OG 3.04Å; S1480-N1484 WeakPolarHBondContact O-CB 3.37Å; S1480-N1484 PolarHBondContact O-N 2.99Å; S1480-N1484 PolarHBondContact O-ND2 2.72Å
1481D79.9Confident80Confident87 Ų8767 Ų6747%0.46534%0.338SS..Hα-helixtrans-71.8-43.9-174.4-65-15.9000112K738 S1479 Q1485K738-D1481 IonicContact NZ-OD1 3.86Å; K738-D1481 PolarHBondContact NZ-OD1 3.08Å; K738-D1481 IonicContact NZ-OD2 2.7Å; S1479-D1481 PolarHBondContact O-N 3.45Å; D1481-Q1485 PolarHBondContact O-N 3.44Å
1482I83Confident78.3Confident53 Ų5364.7 Ų64.727%0.27233%0.329SS..Hα-helixtrans-66.4-40.9178.2-63.8168.3000110.5F1434 T1436 L1476 S1479 Q1485 W1486F1434-I1482 HydrophobicContact CE1-CB 4.44Å; F1434-I1482 HydrophobicContact CE1-CG2 4.04Å; F1434-I1482 HydrophobicContact CZ-CG2 4.12Å; T1436-I1482 HydrophobicContact CG2-CG2 4.16Å; L1476-I1482 HydrophobicContact CD1-CD1 3.76Å; L1476-I1482 HydrophobicContact CD2-CD1 4.17Å; S1479-I1482 PolarHBondContact O-N 2.73Å; I1482-Q1485 WeakPolarHBondContact O-CB 3.28Å; I1482-Q1485 PolarHBondContact O-N 3.4Å; I1482-W1486 PolarHBondContact O-N 2.85Å; I1482-W1486 VanDerWaalsContact O-N 3.13Å
1483L84.8Confident76.3Confident3 Ų365 Ų652%0.01634%0.34CS..Hα-helixtrans-72.2-39.5-177.3-144.8155.7000110.7P1399 P1420 V1429 F1434 S1479 W1486 I1487P1399-L1483 HydrophobicContact CB-CD1 3.94Å; P1399-L1483 HydrophobicContact CB-CD2 3.57Å; P1399-L1483 HydrophobicContact CB-CG 4.42Å; P1399-L1483 HydrophobicContact CG-CD2 3.81Å; P1420-L1483 HydrophobicContact CG-CD2 4.44Å; V1429-L1483 HydrophobicContact CG2-CD1 4.28Å; F1434-L1483 HydrophobicContact CD2-CD1 3.55Å; F1434-L1483 HydrophobicContact CD2-CG 4.37Å; F1434-L1483 HydrophobicContact CE2-CD1 3.63Å; F1434-L1483 HydrophobicContact CE2-CG 3.93Å; F1434-L1483 HydrophobicContact CG-CD1 4.2Å; F1434-L1483 HydrophobicContact CZ-CD1 4.36Å; F1434-L1483 HydrophobicContact CZ-CG 4.4Å; S1479-L1483 WeakPolarHBondContact O-CB 3.15Å; S1479-L1483 PolarHBondContact O-N 3.14Å; L1483-W1486 WeakPolarHBondContact O-CB 3.25Å; L1483-W1486 PolarHBondContact O-N 2.99Å; L1483-I1487 HydrophobicContact CD2-CD1 3.41Å; L1483-I1487 VanDerWaalsContact CD2-CD1 3.41Å; L1483-I1487 HydrophobicContact CD2-CG1 4.05Å; L1483-I1487 WeakPolarHBondContact O-CG1 3.27Å; L1483-I1487 PolarHBondContact O-N 3.25Å
1484N81.7Confident73.9Confident87 Ų8770.5 Ų70.547%0.46537%0.368SS..Hα-helixtrans-64.2-38171.5-75.9-17.2000112.4S1480 W1486 I1487 S1488S1480-N1484 WeakPolarHBondContact O-CB 3.37Å; S1480-N1484 PolarHBondContact O-N 2.99Å; S1480-N1484 PolarHBondContact O-ND2 2.72Å; N1484-W1486 VanDerWaalsContact C-N 3.29Å; N1484-W1486 PolarHBondContact O-N 3.29Å; N1484-I1487 PolarHBondContact O-N 2.86Å; N1484-S1488 VanDerWaalsContact O-CB 3.28Å; N1484-S1488 WeakPolarHBondContact O-CB 3.39Å; N1484-S1488 PolarHBondContact O-N 3.42Å; N1484-S1488 PolarHBondContact O-OG 3.16Å; N1484-S1488 VanDerWaalsContact O-OG 3.05Å
1485Q81.4Confident71.1Confident113 Ų11366.8 Ų66.853%0.52837%0.372SS..Hα-helixtrans-58.7-41.8172.3-108.3-174.4-3.500112.2D1481 I1482 S1488 S1489D1481-Q1485 PolarHBondContact O-N 3.44Å; I1482-Q1485 WeakPolarHBondContact O-CB 3.28Å; I1482-Q1485 PolarHBondContact O-N 3.4Å; Q1485-S1488 PolarHBondContact O-OG 3.46Å; Q1485-S1489 VanDerWaalsContact O-CB 3.29Å; Q1485-S1489 WeakPolarHBondContact O-CB 3.42Å; Q1485-S1489 PolarHBondContact O-N 3.33Å; Q1485-S1489 VanDerWaalsContact O-N 3.11Å; Q1485-S1489 PolarHBondContact O-OG 3Å
1486W83.2Confident68.1Low3 Ų367.7 Ų67.71%0.01138%0.382CS..Hα-helixtrans-65.4-49.3175.5-94.197.6000111.8R1262 F1273 P1420 F1442 P1443 I1482 L1483 N1484 S1488 S1489 L1490R1262-W1486 VanDerWaalsContact CZ-CE2 3.4Å; F1273-W1486 HydrophobicContact CD2-CZ3 4.44Å; F1273-W1486 HydrophobicContact CE2-CE3 4.49Å; F1273-W1486 HydrophobicContact CE2-CH2 4.27Å; F1273-W1486 AromaticContact CE2-CZ3 3.54Å; F1273-W1486 HydrophobicContact CE2-CZ3 3.54Å; F1273-W1486 HydrophobicContact CZ-CZ3 4.04Å; P1420-W1486 HydrophobicContact CB-CB 4.33Å; P1420-W1486 HydrophobicContact CB-CD2 4.35Å; P1420-W1486 HydrophobicContact CB-CE3 4.17Å; P1420-W1486 HydrophobicContact CB-CG 4.46Å; P1420-W1486 HydrophobicContact CG-CB 3.99Å; F1442-W1486 AromaticContact CD1-CH2 3.9Å; F1442-W1486 HydrophobicContact CD1-CH2 3.9Å; F1442-W1486 HydrophobicContact CD1-CZ2 4.03Å; F1442-W1486 HydrophobicContact CD2-CH2 4.12Å; F1442-W1486 HydrophobicContact CD2-CZ2 4.11Å; F1442-W1486 AromaticContact CE1-CH2 3.48Å; F1442-W1486 HydrophobicContact CE1-CH2 3.48Å; F1442-W1486 VanDerWaalsContact CE1-CH2 3.48Å; F1442-W1486 HydrophobicContact CE1-CZ2 4.1Å; F1442-W1486 HydrophobicContact CE1-CZ3 4.23Å; F1442-W1486 AromaticContact CE2-CH2 3.75Å; F1442-W1486 HydrophobicContact CE2-CH2 3.75Å; F1442-W1486 HydrophobicContact CE2-CZ2 4.2Å; F1442-W1486 HydrophobicContact CG-CH2 4.21Å; F1442-W1486 HydrophobicContact CG-CZ2 4.05Å; F1442-W1486 AromaticContact CZ-CH2 3.42Å; F1442-W1486 HydrophobicContact CZ-CH2 3.42Å; F1442-W1486 VanDerWaalsContact CZ-CH2 3.42Å; F1442-W1486 HydrophobicContact CZ-CZ2 4.21Å; F1442-W1486 HydrophobicContact CZ-CZ3 4.3Å; P1443-W1486 HydrophobicContact CG-CD2 3.8Å; P1443-W1486 VanDerWaalsContact CG-CE2 3.48Å; P1443-W1486 HydrophobicContact CG-CG 3.95Å; P1443-W1486 HydrophobicContact CG-CZ2 3.98Å; I1482-W1486 PolarHBondContact O-N 2.85Å; I1482-W1486 VanDerWaalsContact O-N 3.13Å; L1483-W1486 WeakPolarHBondContact O-CB 3.25Å; L1483-W1486 PolarHBondContact O-N 2.99Å; N1484-W1486 VanDerWaalsContact C-N 3.29Å; N1484-W1486 PolarHBondContact O-N 3.29Å; W1486-S1488 PolarHBondContact O-N 2.91Å; W1486-S1489 PolarHBondContact O-N 3.43Å; W1486-S1489 PolarHBondContact O-OG 3.01Å; W1486-L1490 HydrophobicContact CE3-CD1 4.24Å; W1486-L1490 WeakPolarHBondContact O-CD1 3.34Å; W1486-L1490 VanDerWaalsContact O-CG 3.26Å; W1486-L1490 WeakPolarHBondContact O-CG 3.4Å; W1486-L1490 PolarHBondContact O-N 3.44Å
1487I81.9Confident65.4Low13 Ų1372.1 Ų72.17%0.06741%0.406CS..Hα-helixtrans-67.2-38.1-177.2-68.3-179.2000111.5P1399 S1400 P1420 L1483 N1484 L1490 N1491P1399-I1487 HydrophobicContact CG-CD1 4.38Å; S1400-I1487 WeakPolarHBondContact OG-CD1 3.44Å; P1420-I1487 HydrophobicContact CG-CG1 4.32Å; L1483-I1487 HydrophobicContact CD2-CD1 3.41Å; L1483-I1487 VanDerWaalsContact CD2-CD1 3.41Å; L1483-I1487 HydrophobicContact CD2-CG1 4.05Å; L1483-I1487 WeakPolarHBondContact O-CG1 3.27Å; L1483-I1487 PolarHBondContact O-N 3.25Å; N1484-I1487 PolarHBondContact O-N 2.86Å; I1487-L1490 PolarHBondContact O-N 3.02Å; I1487-N1491 VanDerWaalsContact CG2-ND2 3.3Å; I1487-N1491 WeakPolarHBondContact CG2-ND2 3.3Å; I1487-N1491 WeakPolarHBondContact O-CB 3.36Å; I1487-N1491 PolarHBondContact O-N 3.2Å; I1487-N1491 PolarHBondContact O-ND2 2.98Å
1488S73.8Confident63Low69 Ų6973.5 Ų73.548%0.48341%0.409SS..Hα-helixtrans-67.4-39.5175.668.30000111.5N1484 Q1485 W1486 L1490 N1491N1484-S1488 VanDerWaalsContact O-CB 3.28Å; N1484-S1488 WeakPolarHBondContact O-CB 3.39Å; N1484-S1488 PolarHBondContact O-N 3.42Å; N1484-S1488 PolarHBondContact O-OG 3.16Å; N1484-S1488 VanDerWaalsContact O-OG 3.05Å; Q1485-S1488 PolarHBondContact O-OG 3.46Å; W1486-S1488 PolarHBondContact O-N 2.91Å; S1488-L1490 PolarHBondContact O-N 3.13Å; S1488-L1490 VanDerWaalsContact O-N 3.13Å; S1488-N1491 PolarHBondContact O-N 2.79Å
1489S71.5Confident60.6Low22 Ų2273.3 Ų73.315%0.15442%0.416CS..Hα-helixtrans-65.5-13.5176.576.60000114.5H1267 Q1485 W1486H1267-S1489 PolarHBondContact CD2-O 2.96Å; H1267-S1489 PolarHBondContact CE1-O 3.06Å; H1267-S1489 PolarHBondContact NE2-O 3.43Å; H1267-S1489 VanDerWaalsContact NE2-O 3.08Å; Q1485-S1489 VanDerWaalsContact O-CB 3.29Å; Q1485-S1489 WeakPolarHBondContact O-CB 3.42Å; Q1485-S1489 PolarHBondContact O-N 3.33Å; Q1485-S1489 VanDerWaalsContact O-N 3.11Å; Q1485-S1489 PolarHBondContact O-OG 3Å; W1486-S1489 PolarHBondContact O-N 3.43Å; W1486-S1489 PolarHBondContact O-OG 3.01Å
1490L68.2Low57.9Low13 Ų1379.3 Ų79.37%0.06845%0.448CS..Hα-helixtrans-105.7-18.4-177.7-69.1170.5000113.7F1273 W1486 I1487 S1488F1273-L1490 HydrophobicContact CB-CD2 4.16Å; F1273-L1490 HydrophobicContact CD1-CD2 3.27Å; F1273-L1490 HydrophobicContact CD2-CD2 3.8Å; F1273-L1490 HydrophobicContact CE1-CD1 3.96Å; F1273-L1490 HydrophobicContact CE1-CD2 3.44Å; F1273-L1490 VanDerWaalsContact CE1-CD2 3.44Å; F1273-L1490 HydrophobicContact CE1-CG 4.37Å; F1273-L1490 HydrophobicContact CE2-CD2 4Å; F1273-L1490 HydrophobicContact CG-CD2 3.44Å; F1273-L1490 VanDerWaalsContact CG-CD2 3.44Å; F1273-L1490 HydrophobicContact CZ-CD1 4.02Å; F1273-L1490 HydrophobicContact CZ-CD2 3.79Å; W1486-L1490 HydrophobicContact CE3-CD1 4.24Å; W1486-L1490 WeakPolarHBondContact O-CD1 3.34Å; W1486-L1490 VanDerWaalsContact O-CG 3.26Å; W1486-L1490 WeakPolarHBondContact O-CG 3.4Å; W1486-L1490 PolarHBondContact O-N 3.44Å; I1487-L1490 PolarHBondContact O-N 3.02Å; S1488-L1490 PolarHBondContact O-N 3.13Å; S1488-L1490 VanDerWaalsContact O-N 3.13Å
1491N62.1Low55.3Low47 Ų4787.1 Ų87.125%0.25148%0.482SS..  trans-116.515-165.4-69.6-51.1000115.7S1417 T1418 I1487 S1488 G1493S1417-N1491 VanDerWaalsContact CB-ND2 3.3Å; S1417-N1491 WeakPolarHBondContact CB-ND2 3.4Å; T1418-N1491 WeakPolarHBondContact CB-OD1 3.33Å; T1418-N1491 PolarHBondContact N-ND2 3.15Å; T1418-N1491 PolarHBondContact N-OD1 3.01Å; T1418-N1491 PolarHBondContact O-ND2 3.42Å; T1418-N1491 PolarHBondContact OG1-OD1 2.87Å; I1487-N1491 VanDerWaalsContact CG2-ND2 3.3Å; I1487-N1491 WeakPolarHBondContact CG2-ND2 3.3Å; I1487-N1491 WeakPolarHBondContact O-CB 3.36Å; I1487-N1491 PolarHBondContact O-N 3.2Å; I1487-N1491 PolarHBondContact O-ND2 2.98Å; S1488-N1491 PolarHBondContact O-N 2.79Å; N1491-G1493 PolarHBondContact O-N 3.05Å
1492V49.2Very low52.9Low100 Ų10092.5 Ų92.561%0.60650%0.502SS*.THydrogen-bonded Turntrans-91.486.8173.6-172.30000109.4
1493G40Very low50.2Low54 Ų5499.5 Ų99.556%0.55753%0.526SS*.THydrogen-bonded Turntrans-166.5-2.617800000117N1491N1491-G1493 PolarHBondContact O-N 3.05Å
1494I35Very low47.5Very low125 Ų125106.4 Ų106.464%0.64156%0.562SS**SBendtrans-101.7-6.8-175.9-57.1178.4000112.8
1495C26.7Very low44.8Very low127 Ų127111 Ų11186%0.85858%0.581SS**SBendtrans-126.711.8-174.1-65.50000117.5
1496E25.8Very low42.2Very low158 Ų158110.5 Ų110.574%0.73859%0.59SS**SBendtrans-128.917.6-178.7-78.9-167.8165.300116.3
1497N26.3Very low39.5Very low141 Ų141115.3 Ų115.375%0.75462%0.624SS**  trans-115.868.7176.9-74.3-22.8000112.5
1498E27.3Very low36.9Very low203 Ų203123.9 Ų123.995%0.94966%0.661SS**SBendtrans-130.23.3159-80.8-167.9162.500113.6
1499S27.4Very low34.6Very low101 Ų101129.7 Ų129.771%0.70668%0.68SS**SBendtrans-126.35.6-173.250.30000116.7
1500N26.4Very low32.5Very low128 Ų128134.8 Ų134.868%0.68471%0.71SS**  trans-12616-178.5-83.4-34.1000116.5K1502N1500-K1502 PolarHBondContact O-N 3.24Å
1501E26.7Very low30.4Very low183 Ų183143.1 Ų143.186%0.85575%0.751SS**THydrogen-bonded Turntrans-77.74.3173.9-92-174.2160.500115.1
1502K27.6Very low28.6Very low200 Ų200149.2 Ų149.287%0.8778%0.783SS**THydrogen-bonded Turntrans-94.94.9179.7-87.7-174.9177.2177.30116.7N1500N1500-K1502 PolarHBondContact O-N 3.24Å
1503Y28.2Very low27.6Very low200 Ų200151.4 Ų151.478%0.78480%0.796SS**SBendtrans-124.26.4-179.5-87.7-82.9000115.7
1504L26.1Very low26.9Very low148 Ų148162.2 Ų162.278%0.77583%0.828SS**SBendtrans-115.511-177.4-125.692.1000115.9
1505E25.9Very low26.5Very low183 Ų183164.1 Ų164.186%0.85584%0.837SS**SBendtrans-99.2-5.1177-92.3-176.5153.300114.9
1506S26.1Very low26.5Very low103 Ų103166 Ų16672%0.7284%0.836SS**SBendtrans-93.10.5-177.160.40000115.6
1507S27.4Very low26.6Very low104 Ų104166.4 Ų166.473%0.72784%0.841SS**SBendtrans-121.48.8-172.8-58.60000115.6
1508K27.8Very low26.6Very low193 Ų193167.9 Ų167.984%0.83985%0.847SS**SBendtrans-1077.6179.9-86.6-176.2176.5176.90115.5
1509Q25.4Very low26.5Very low191 Ų191165.8 Ų165.889%0.89384%0.84SS**SBendtrans-103.317.8-177.3-109.2-179.42.100115.6
1510T26.2Very low26.5Very low128 Ų128170.1 Ų170.179%0.78585%0.849SS**SBendtrans-139.339.8-175.1-23.50000115.2
1511M25.5Very low26.5Very low189 Ų189173.1 Ų173.193%0.93186%0.861SS**  trans-147.265.8163.2-90.4-148.4-107.600112
1512L24.3Very low26.4Very low175 Ų175172.3 Ų172.392%0.91686%0.861SS**  trans-143.457.1162.9-97.6168.6000109.1
1513V26.7Very low26.4Very low145 Ų145170 Ų17088%0.87986%0.861SS**  trans-149.481.1155.8-175.60000108.2
1514K26.7Very low26.2Very low281 Ų281167.3 Ų167.3100%1.22287%0.867SS**  trans-176.30140.1-106.3-178.3-178.3-179.70109.8

Retrieved 1,514 of 1,514 residues in 3359.2 ms (Link to these results)

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