A0A5K4FB76_SCHMA Loading...

Trafficking protein particle complex subunit 10

AlphaFold DB , UniProt , Accession A0A5K4FB76, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,613 aa.

>A0A5K4FB76_SCHMA|A0A5K4FB76
MDFILKPVISCAGDENLLPYFESRCLSTLGSQQVVWKHPKLSMVHSVRLGACFTRFRVSQLQSNVKVLSSGRPIRPVGTFQPLLYIYVTSNDVSHYTSHGGRNAIGSWLGHLRARNVFDWLIIMVNSDPQYNTPKILQKSNVLDKIKSDFNVRTGDRQFLEVPAPNSAEEKLFNESWNQLTYLVRKSIISACMSIIVDYDVHLQMLTDSCSTFTWDYFEYLDRKEELAHMYLFLGGHEHALHEYREATELLSKCIQASTQQGSKRPQWLDRLTQLSSSNEVSHYVCDYSLDVTNTEIKQSSRLKNRNATLFELKNYLLSRQASILCICDRLNEFPALAYHTICSTLTEINILNIQTDQLFHAVWILCICLNTLTNIRLDSDRSMDDVNKSIIELLDTAFSCNNILENINFTRLSKLSFHRSSSSSSSSSSTHSPSSTPTITTQSVFIDANKDSNVTIWYMSHLVDKIFTHFRCHEYQLLRNISPLSPINNVTSSTENSSIIHKLSSIKINENDTFCSENYSVELWLIIFNYIKQIGQLIGLWCIKSNLPIHREKYSLLNKVINDSLINQQSTRDSIQQQQQYDLVDQLEIETDQTKADQIQLDHSILFAHNHLIPLFTSSIIYSQIFTAIGQTLIGFLKLIHCPKRAYEIVYDLADFLFSQGAHESASWLYESLINHYDESSWIGLVTSTRICLAWCFHSLCVKKHFETKEDYEIARKYIQICFILAGTKCSILRIAAIHVYNKIQFWYQTINFTEILSIPTFNDSINPNYWWEEAVEFRNSLLSYHQYVILDPYQMSPLFRLKSIELEGVCNCGYQLIFIQLKSNSDRTFKASVHISGSEPSYIDWQTLLNPNEFLPYHVMDKTNQLSMPQLDSQLHLINLTTAPSISVVKSLAGSNVHNPITIGSSNNNNRNSNNNSSGSHKVISRGQYSISSEKNSIQYNKYHLPTTEMTASIRRSYSSIPDSSKEYLNRNLALKGNQLRISKMNSQSRLGSLLNVAASLASRPAWKSQDTIGVMSDEHNNTPMSTPHIIRNGRMIRIPSDGLIEPNIHSSVQISRQHSLCSTKKRSRLSFSINGKHDMFGNENTESSTPVSTKNPLFILNHEESFVMIKPGLNKLSFIANVPGFLIPEQIFINCLDEINTEFKEASREQQSMEPSNNSRSEVNFVSDIDSDVFGSSWRDTAMMKALLPKPEISVLNNSGDKRYPVVFGTCQPIPVRLRLGKLGLPEDCKLSTSLYRICSNNKNFVFNTKPENTHINVKKTNSMKTYNNTNGNDGNETMFNNQTSITVDSSYEIRNQYSANDYSLISNSLDNHHQDEHLHKKHQTLFSQFILEDGPVDFIREYNSLSQSLECKMNHPIPTFPPGCCLQLSRPLYLSATSCNDQFALSMPSGHYCILPVDIIKPLGFNLNIFPLPKTYVIFSLNITCVDSDPDSTITPEVYYSQNLLCKYPVTFELSNMRFYICASKLYLSRRLALSSSFSNGQHQLYNRQLKSRSHVSMEDNRQIAGDFTKNDVHETGSTDKLHDTINESIESLTGDLLDNRITKAYVTHLTPFSIPWRFKSLEYNNFMKLCKESHCQPIGRFECTMNRIGNVKKINQDIRVDCVIGQQI
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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
1M31Very low66Low123 Ų12352.5 Ų52.561%0.60626%0.263SS*.  0116.10-70-63-161.600107.3F3M1-F3 HydrophobicContact CB-CD2 4.04Å; M1-F3 HydrophobicContact CB-CE1 4.25Å; M1-F3 HydrophobicContact CB-CE2 3.54Å; M1-F3 HydrophobicContact CB-CZ 3.66Å; M1-F3 HydrophobicContact CG-CZ 4.26Å; M1-F3 WeakPolarHBondContact O-CD2 3.37Å
2D35.3Very low68.1Low128 Ų12849 Ų4968%0.68425%0.248SC*.  trans-89.5105.1169.5-60-27.6000105.9
3F48.6Very low69.8Low40 Ų4047.1 Ų47.118%0.17525%0.248CC..  trans-82.1127.5-171-73.1-83000110.9M1 E226 T295M1-F3 HydrophobicContact CB-CD2 4.04Å; M1-F3 HydrophobicContact CB-CE1 4.25Å; M1-F3 HydrophobicContact CB-CE2 3.54Å; M1-F3 HydrophobicContact CB-CZ 3.66Å; M1-F3 HydrophobicContact CG-CZ 4.26Å; M1-F3 WeakPolarHBondContact O-CD2 3.37Å; F3-E226 HydrophobicContact CE1-CG 4.4Å; F3-T295 HydrophobicContact CB-CG2 4.39Å; F3-T295 HydrophobicContact CD2-CG2 4.42Å
4I48Very low71Confident49 Ų4947 Ų4725%0.25125%0.248SC..  trans-92.6113175.9-52.3173.6000108.8K6 V8 G78 F80I4-K6 HydrophobicContact CG2-CB 4.46Å; I4-K6 WeakPolarHBondContact CG2-O 3.47Å; I4-K6 PolarHBondContact O-N 3.46Å; I4-V8 HydrophobicContact CD1-CG2 4.46Å; I4-G78 PolarHBondContact N-O 3.21Å; I4-G78 VanDerWaalsContact N-O 3.17Å; I4-F80 HydrophobicContact CD1-CD1 3.55Å; I4-F80 HydrophobicContact CD1-CE1 3.46Å; I4-F80 VanDerWaalsContact CD1-CE1 3.46Å; I4-F80 HydrophobicContact CD1-CE2 4.49Å; I4-F80 HydrophobicContact CD1-CG 4.13Å; I4-F80 HydrophobicContact CD1-CZ 3.96Å
5L59.1Low71.9Confident87 Ų8751.5 Ų51.546%0.45527%0.267SS..SBendtrans-66.2-14.9178.4-79.8153.4000114.3F233 T293L5-F233 VanDerWaalsContact O-CD2 3.24Å; L5-F233 WeakPolarHBondContact O-CD2 3.31Å; L5-T293 HydrophobicContact CD1-CG2 3.77Å
6K73.3Confident72.7Confident118 Ų11857.1 Ų57.151%0.51330%0.298SS..SBendtrans-106.1130.7-179.1-65.6178.3-176.7175.10110.6I4 V8I4-K6 HydrophobicContact CG2-CB 4.46Å; I4-K6 WeakPolarHBondContact CG2-O 3.47Å; I4-K6 PolarHBondContact O-N 3.46Å; K6-V8 PolarHBondContact O-N 3.47Å
7P77Confident73.3Confident17 Ų1755.7 Ų55.711%0.1129%0.29CS..  trans-61.5133.6177.926.6-37.5000110.6G50 A51 C52 L83 I188 F233P7-G50 WeakPolarHBondContact CD-O 3.45Å; P7-G50 VanDerWaalsContact CG-O 3.29Å; P7-G50 WeakPolarHBondContact CG-O 3.24Å; P7-A51 HydrophobicContact CG-CB 4.32Å; P7-A51 WeakPolarHBondContact O-CA 3.38Å; P7-C52 PolarHBondContact O-N 3.02Å; P7-L83 HydrophobicContact CB-CB 4.09Å; P7-L83 HydrophobicContact CB-CD2 3.52Å; P7-L83 HydrophobicContact CB-CG 4.44Å; P7-L83 HydrophobicContact CG-CD2 4.4Å; P7-I188 HydrophobicContact CG-CG2 4.39Å; P7-F233 HydrophobicContact CB-CZ 4.39Å; P7-F233 HydrophobicContact CG-CE1 4.15Å; P7-F233 HydrophobicContact CG-CE2 3.83Å; P7-F233 HydrophobicContact CG-CZ 3.46Å; P7-F233 VanDerWaalsContact CG-CZ 3.46Å
8V83.5Confident74.1Confident13 Ų1352.6 Ų52.68%0.07927%0.274CS..EExtended strand (participates in β ladder)trans-82126.9173.8179.90000108.5I4 K6 C52 T54 P82 L83I4-V8 HydrophobicContact CD1-CG2 4.46Å; K6-V8 PolarHBondContact O-N 3.47Å; V8-C52 CarbonylContact C-O 3.43Å; V8-C52 VanDerWaalsContact CA-O 3.31Å; V8-C52 WeakPolarHBondContact CA-O 3.21Å; V8-T54 HydrophobicContact CG1-CG2 3.43Å; V8-T54 VanDerWaalsContact CG1-CG2 3.43Å; V8-P82 HydrophobicContact CG1-CB 4.34Å; V8-P82 HydrophobicContact CG1-CG 4.22Å; V8-P82 CarbonylContact O-C 3.51Å; V8-P82 VanDerWaalsContact O-CA 3.23Å; V8-P82 WeakPolarHBondContact O-CA 3.39Å; V8-L83 PolarHBondContact O-N 3.2Å
9I87.9Confident74.7Confident0 Ų053.3 Ų53.30%028%0.282CS..EExtended strand (participates in β ladder)trans-109.4122.9175.2-59.6179.1000107.6A51 C52 F53 T54 L84 I86 I188I9-A51 HydrophobicContact CD1-CB 3.53Å; I9-A51 HydrophobicContact CG1-CB 4.09Å; I9-C52 PolarHBondContact N-O 2.95Å; I9-F53 HydrophobicContact CB-CD1 3.79Å; I9-F53 HydrophobicContact CB-CE1 3.89Å; I9-F53 HydrophobicContact CD1-CD1 4.49Å; I9-F53 HydrophobicContact CD1-CE1 3.79Å; I9-F53 HydrophobicContact CD1-CZ 3.99Å; I9-F53 HydrophobicContact CG1-CE1 4.41Å; I9-F53 HydrophobicContact CG2-CD1 3.89Å; I9-F53 HydrophobicContact CG2-CE1 3.81Å; I9-F53 CarbonylContact O-C 3.53Å; I9-F53 WeakPolarHBondContact O-CA 3.34Å; I9-T54 PolarHBondContact O-N 3.34Å; I9-L84 WeakPolarHBondContact CA-O 3.27Å; I9-L84 HydrophobicContact CG1-CB 4.46Å; I9-L84 HydrophobicContact CG2-CB 4.48Å; I9-I86 HydrophobicContact CG2-CD1 3.59Å; I9-I86 HydrophobicContact CG2-CG1 3.76Å; I9-I188 HydrophobicContact CD1-CD1 3.85Å; I9-I188 HydrophobicContact CD1-CG1 4.21Å
10S90.3Very high75.1Confident1 Ų155 Ų551%0.00729%0.285CS..EExtended strand (participates in β ladder)trans-88.3123177.4-165.60000109.7T54 F56 Q60 L84 Y85 I86S10-T54 CarbonylContact C-O 3.56Å; S10-T54 WeakPolarHBondContact CA-O 3.47Å; S10-F56 WeakPolarHBondContact OG-CA 3.43Å; S10-F56 WeakPolarHBondContact OG-CB 3.47Å; S10-Q60 PolarHBondContact OG-OE1 3.38Å; S10-L84 PolarHBondContact N-O 3.18Å; S10-Y85 VanDerWaalsContact CB-CD1 3.45Å; S10-Y85 CarbonylContact O-C 3.54Å; S10-Y85 WeakPolarHBondContact O-CA 3.45Å; S10-I86 PolarHBondContact O-N 3.22Å
11C92Very high75.5Confident1 Ų152.6 Ų52.61%0.00727%0.273CS..EExtended strand (participates in β ladder)trans-111.3137.9178.9-70.30000111.5L18 F53 T54 R55 F56 I86C11-L18 HydrophobicContact CB-CD2 3.68Å; C11-F53 VanDerWaalsContact SG-CD1 3.56Å; C11-T54 PolarHBondContact N-O 3.35Å; C11-R55 CarbonylContact O-C 3.58Å; C11-R55 WeakPolarHBondContact O-CA 3.05Å; C11-F56 PolarHBondContact O-N 3.08Å; C11-I86 CarbonylContact C-O 3.51Å; C11-I86 VanDerWaalsContact CA-O 3.29Å; C11-I86 WeakPolarHBondContact CA-O 3.16Å
12A91.7Very high78.2Confident11 Ų1148.5 Ų48.59%0.09125%0.252CS..EExtended strand (participates in β ladder)trans-136.9166174.600000110.7F56 I86 Y87 V88A12-F56 HydrophobicContact CB-CB 3.8Å; A12-F56 HydrophobicContact CB-CG 4.41Å; A12-I86 PolarHBondContact N-O 3.13Å; A12-Y87 HydrophobicContact CB-CD2 3.71Å; A12-Y87 HydrophobicContact CB-CE2 4.09Å; A12-Y87 CarbonylContact O-C 3.59Å; A12-Y87 VanDerWaalsContact O-CA 3.3Å; A12-Y87 WeakPolarHBondContact O-CA 3.34Å; A12-V88 PolarHBondContact O-N 3.26Å
13G90.3Very high80.6Confident24 Ų2446.2 Ų46.225%0.24725%0.246CC..EExtended strand (participates in β ladder)trans114.4-137.4172.400000113.5E15 Y87 V88G13-E15 PolarHBondContact O-N 3.06Å; G13-E15 VanDerWaalsContact O-N 3.15Å; G13-Y87 VanDerWaalsContact CA-CZ 3.48Å; G13-V88 CarbonylContact C-O 3.58Å; G13-V88 VanDerWaalsContact CA-O 3.26Å; G13-V88 WeakPolarHBondContact CA-O 3.33Å
14D86.2Confident82.2Confident46 Ų4648 Ų4825%0.24625%0.252CS..  trans-70.5106.8-174.4-170-22.6000111.6N16 L17 L18 V88D14-N16 PolarHBondContact O-N 3.43Å; D14-N16 VanDerWaalsContact O-N 3.12Å; D14-N16 WeakPolarHBondContact OD1-CB 3.47Å; D14-N16 PolarHBondContact OD1-N 3.46Å; D14-L17 HydrophobicContact CB-CB 4.25Å; D14-L17 HydrophobicContact CB-CD1 3.96Å; D14-L17 HydrophobicContact CB-CG 4.15Å; D14-L17 PolarHBondContact O-N 3.21Å; D14-L18 WeakPolarHBondContact O-CG 3.45Å; D14-L18 PolarHBondContact O-N 3.48Å; D14-L18 VanDerWaalsContact O-N 3.09Å; D14-V88 PolarHBondContact N-O 2.95Å
15E84.9Confident84Confident115 Ų11545.7 Ų45.754%0.53724%0.24SC..THydrogen-bonded Turntrans-57.5-25-178.3-73.6-65.6139.500113.9G13 P19 R55G13-E15 PolarHBondContact O-N 3.06Å; G13-E15 VanDerWaalsContact O-N 3.15Å; E15-P19 WeakPolarHBondContact O-CD 3.45Å; E15-R55 IonicContact OE1-NH1 3.64Å; E15-R55 PolarHBondContact OE1-NH1 3.25Å; E15-R55 IonicContact OE2-CZ 3.68Å; E15-R55 IonicContact OE2-NH1 2.68Å; E15-R55 PolarHBondContact OE2-NH1 3Å
16N84Confident85.2Confident141 Ų14146.5 Ų46.575%0.75424%0.244SC*.THydrogen-bonded Turntrans-78.1-29.9177.7-60.8-48.1000112.2D14D14-N16 PolarHBondContact O-N 3.43Å; D14-N16 VanDerWaalsContact O-N 3.12Å; D14-N16 WeakPolarHBondContact OD1-CB 3.47Å; D14-N16 PolarHBondContact OD1-N 3.46Å
17L83.4Confident85.6Confident33 Ų3344.5 Ų44.517%0.17325%0.245CC..THydrogen-bonded Turntrans-88.7-27.7-178.1-64.1177.4000112.5D14 Y20 F21 V88 V125D14-L17 HydrophobicContact CB-CB 4.25Å; D14-L17 HydrophobicContact CB-CD1 3.96Å; D14-L17 HydrophobicContact CB-CG 4.15Å; D14-L17 PolarHBondContact O-N 3.21Å; L17-Y20 WeakPolarHBondContact O-CB 3.45Å; L17-Y20 PolarHBondContact O-N 2.87Å; L17-F21 PolarHBondContact O-N 3.41Å; L17-V88 HydrophobicContact CB-CG1 3.87Å; L17-V88 HydrophobicContact CD1-CG1 4.29Å; L17-V125 HydrophobicContact CD1-CB 3.86Å; L17-V125 HydrophobicContact CD1-CG2 3.94Å; L17-V125 HydrophobicContact CD2-CG1 4.37Å
18L87.7Confident85.9Confident0 Ų044.4 Ų44.40%024%0.244CC..Hα-helixtrans-59.7-49.3-174.7-77.7172.7000114.5C11 D14 Y20 F21 E22 R55 V88C11-L18 HydrophobicContact CB-CD2 3.68Å; D14-L18 WeakPolarHBondContact O-CG 3.45Å; D14-L18 PolarHBondContact O-N 3.48Å; D14-L18 VanDerWaalsContact O-N 3.09Å; L18-Y20 PolarHBondContact O-N 3.43Å; L18-F21 PolarHBondContact O-N 3.04Å; L18-E22 WeakPolarHBondContact O-CB 3.41Å; L18-E22 VanDerWaalsContact O-CG 3.29Å; L18-E22 WeakPolarHBondContact O-CG 3.1Å; L18-E22 PolarHBondContact O-N 3.45Å; L18-R55 VanDerWaalsContact CB-CZ 3.49Å; L18-V88 HydrophobicContact CD2-CB 3.86Å; L18-V88 HydrophobicContact CD2-CG2 3.62Å; L18-V88 HydrophobicContact CG-CB 4.45Å
19P85.5Confident85.9Confident66 Ų6643.9 Ų43.943%0.42924%0.241SC..Hα-helixtrans-60.1-34.9178.4-22.933.1000112.8E15 S23E15-P19 WeakPolarHBondContact O-CD 3.45Å; P19-S23 VanDerWaalsContact O-CB 3.22Å; P19-S23 WeakPolarHBondContact O-CB 3.4Å; P19-S23 PolarHBondContact O-N 3.44Å
20Y82.1Confident85.5Confident87 Ų8745.5 Ų45.534%0.34126%0.258SS..Hα-helixtrans-66.5-48.7177.3-178.4-93000111.3L17 L18 S23 R24 P165 F173 W177L17-Y20 WeakPolarHBondContact O-CB 3.45Å; L17-Y20 PolarHBondContact O-N 2.87Å; L18-Y20 PolarHBondContact O-N 3.43Å; Y20-S23 PolarHBondContact O-N 3.39Å; Y20-R24 WeakPolarHBondContact O-CB 3.24Å; Y20-R24 PolarHBondContact O-N 3.28Å; Y20-P165 HydrophobicContact CD1-CG 4.24Å; Y20-P165 HydrophobicContact CD2-CG 4.39Å; Y20-P165 HydrophobicContact CE1-CG 3.6Å; Y20-P165 HydrophobicContact CE2-CG 3.76Å; Y20-F173 VanDerWaalsContact OH-CZ 3.29Å; Y20-F173 WeakPolarHBondContact OH-CZ 3.42Å; Y20-W177 HydrophobicContact CD1-CZ2 4.35Å; Y20-W177 AromaticContact CE1-CZ2 3.92Å; Y20-W177 HydrophobicContact CE1-CZ2 3.92Å; Y20-W177 AromaticContact CE1-NE1 3.7Å
21F84.6Confident84.9Confident4 Ų449.3 Ų49.32%0.01828%0.284CS..Hα-helixtrans-59.3-46.9175.3167.7-97.1000112.2L17 L18 R24 C25 F53 I86 V88 I123 L180L17-F21 PolarHBondContact O-N 3.41Å; L18-F21 PolarHBondContact O-N 3.04Å; F21-R24 PolarHBondContact O-N 3.41Å; F21-C25 WeakPolarHBondContact CE2-SG 3.34Å; F21-C25 WeakPolarHBondContact CZ-SG 3.49Å; F21-C25 WeakPolarHBondContact O-CB 3.35Å; F21-C25 PolarHBondContact O-N 3.27Å; F21-C25 PolarHBondContact O-SG 3.48Å; F21-F53 HydrophobicContact CE1-CD1 4.4Å; F21-F53 AromaticContact CE1-CE1 3.79Å; F21-F53 HydrophobicContact CE1-CE1 3.79Å; F21-F53 HydrophobicContact CE1-CZ 4.48Å; F21-F53 HydrophobicContact CZ-CE1 4.43Å; F21-I86 HydrophobicContact CE1-CD1 4.08Å; F21-I86 HydrophobicContact CE1-CG2 4.29Å; F21-I86 HydrophobicContact CZ-CD1 3.7Å; F21-I86 HydrophobicContact CZ-CG2 4.15Å; F21-V88 HydrophobicContact CD1-CG2 4.3Å; F21-V88 HydrophobicContact CG-CG2 4.28Å; F21-I123 HydrophobicContact CD2-CD1 4.01Å; F21-I123 HydrophobicContact CE2-CD1 3.29Å; F21-I123 HydrophobicContact CZ-CD1 3.7Å; F21-L180 HydrophobicContact CD2-CD2 3.98Å; F21-L180 HydrophobicContact CE2-CD2 3.55Å
22E88Confident84.1Confident37 Ų3754.3 Ų54.317%0.17331%0.307CS..Hα-helixtrans-60.6-50.2179.4-72.6171.9-172.100111.1L18 R24 C25 L26 F53 R55L18-E22 WeakPolarHBondContact O-CB 3.41Å; L18-E22 VanDerWaalsContact O-CG 3.29Å; L18-E22 WeakPolarHBondContact O-CG 3.1Å; L18-E22 PolarHBondContact O-N 3.45Å; E22-R24 VanDerWaalsContact C-N 3.34Å; E22-R24 PolarHBondContact O-N 3.19Å; E22-C25 PolarHBondContact O-N 3.27Å; E22-L26 WeakPolarHBondContact O-CB 3.36Å; E22-L26 VanDerWaalsContact O-CG 3.27Å; E22-L26 WeakPolarHBondContact O-CG 3.36Å; E22-L26 PolarHBondContact O-N 3.31Å; E22-F53 HydrophobicContact CB-CD2 4.45Å; E22-F53 HydrophobicContact CB-CG 4.41Å; E22-F53 HydrophobicContact CG-CB 3.84Å; E22-F53 HydrophobicContact CG-CD1 4.17Å; E22-F53 HydrophobicContact CG-CD2 4.41Å; E22-F53 HydrophobicContact CG-CG 3.88Å; E22-R55 IonicContact OE1-CZ 2.66Å; E22-R55 IonicContact OE1-NE 3.67Å; E22-R55 PolarHBondContact OE1-NE 3.19Å; E22-R55 IonicContact OE1-NH2 2.6Å; E22-R55 PolarHBondContact OE1-NH2 3.44Å; E22-R55 IonicContact OE2-NH2 2.94Å
23S84.8Confident83.4Confident81 Ų8158.9 Ų58.957%0.56633%0.327SS*.Hα-helixtrans-57.8-46.1178.6-179.20000111.7P19 Y20 L26 S27P19-S23 VanDerWaalsContact O-CB 3.22Å; P19-S23 WeakPolarHBondContact O-CB 3.4Å; P19-S23 PolarHBondContact O-N 3.44Å; Y20-S23 PolarHBondContact O-N 3.39Å; S23-L26 PolarHBondContact O-N 3Å; S23-S27 PolarHBondContact O-N 3.18Å; S23-S27 VanDerWaalsContact O-N 3.09Å; S23-S27 PolarHBondContact O-OG 2.9Å
24R82.5Confident82.9Confident77 Ų7758.8 Ų58.829%0.29132%0.322SS..Hα-helixtrans-65.9-47.7179-16862.7167.8178.9-4.9111.3Y20 F21 E22 L26 S27 T28 N174Y20-R24 WeakPolarHBondContact O-CB 3.24Å; Y20-R24 PolarHBondContact O-N 3.28Å; F21-R24 PolarHBondContact O-N 3.41Å; E22-R24 VanDerWaalsContact C-N 3.34Å; E22-R24 PolarHBondContact O-N 3.19Å; R24-L26 PolarHBondContact O-N 3.41Å; R24-S27 PolarHBondContact O-N 3.47Å; R24-S27 VanDerWaalsContact O-N 3.12Å; R24-S27 PolarHBondContact O-OG 3.36Å; R24-T28 PolarHBondContact O-N 3.14Å; R24-T28 PolarHBondContact O-OG1 3.38Å; R24-T28 VanDerWaalsContact O-OG1 3.07Å; R24-N174 PolarHBondContact NH2-OD1 2.9Å; R24-N174 VanDerWaalsContact NH2-OD1 3.16Å
25C84.7Confident82.6Confident1 Ų161 Ų611%0.00734%0.337CS..Hα-helixtrans-60.7-42.6177.8-71.90000112.2F21 E22 S27 T28 L29 F53F21-C25 WeakPolarHBondContact CE2-SG 3.34Å; F21-C25 WeakPolarHBondContact CZ-SG 3.49Å; F21-C25 WeakPolarHBondContact O-CB 3.35Å; F21-C25 PolarHBondContact O-N 3.27Å; F21-C25 PolarHBondContact O-SG 3.48Å; E22-C25 PolarHBondContact O-N 3.27Å; C25-S27 PolarHBondContact O-N 3.48Å; C25-T28 PolarHBondContact O-N 3.49Å; C25-L29 HydrophobicContact CB-CD1 3.89Å; C25-L29 HydrophobicContact CB-CG 4.21Å; C25-L29 WeakPolarHBondContact O-CB 3.28Å; C25-L29 WeakPolarHBondContact O-CD1 3.33Å; C25-L29 WeakPolarHBondContact O-CG 3.04Å; C25-L29 PolarHBondContact O-N 3.3Å; C25-F53 HydrophobicContact CB-CE1 4.48Å; C25-F53 HydrophobicContact CB-CE2 3.91Å; C25-F53 HydrophobicContact CB-CZ 3.51Å
26L84.4Confident82.5Confident104 Ų10455.8 Ų55.855%0.54531%0.312SS..Hα-helixtrans-61.6-34.9176.1-73171.7000112.2E22 S23 R24 A51 F53E22-L26 WeakPolarHBondContact O-CB 3.36Å; E22-L26 VanDerWaalsContact O-CG 3.27Å; E22-L26 WeakPolarHBondContact O-CG 3.36Å; E22-L26 PolarHBondContact O-N 3.31Å; S23-L26 PolarHBondContact O-N 3Å; R24-L26 PolarHBondContact O-N 3.41Å; L26-A51 WeakPolarHBondContact CD2-O 3.26Å; L26-F53 HydrophobicContact CD1-CD2 4.29Å; L26-F53 HydrophobicContact CD2-CD2 3.84Å; L26-F53 HydrophobicContact CD2-CE2 3.81Å; L26-F53 HydrophobicContact CG-CD2 3.84Å; L26-F53 HydrophobicContact CG-CE2 3.8Å
27S82.2Confident82.1Confident75 Ų7554.5 Ų54.552%0.52430%0.3SS..Hα-helixtrans-75-28.7177.273.90000114S23 R24 C25S23-S27 PolarHBondContact O-N 3.18Å; S23-S27 VanDerWaalsContact O-N 3.09Å; S23-S27 PolarHBondContact O-OG 2.9Å; R24-S27 PolarHBondContact O-N 3.47Å; R24-S27 VanDerWaalsContact O-N 3.12Å; R24-S27 PolarHBondContact O-OG 3.36Å; C25-S27 PolarHBondContact O-N 3.48Å
28T83.7Confident81.7Confident16 Ų1653.4 Ų53.410%0.09829%0.294CS..Hα-helixtrans-109.6-25.6-172.261.30000114.7R24 C25 G30 S31 T181 R185R24-T28 PolarHBondContact O-N 3.14Å; R24-T28 PolarHBondContact O-OG1 3.38Å; R24-T28 VanDerWaalsContact O-OG1 3.07Å; C25-T28 PolarHBondContact O-N 3.49Å; T28-G30 VanDerWaalsContact C-N 3.3Å; T28-G30 PolarHBondContact O-N 2.94Å; T28-S31 WeakPolarHBondContact O-CB 3.48Å; T28-S31 PolarHBondContact O-N 2.98Å; T28-S31 VanDerWaalsContact O-N 3.08Å; T28-S31 PolarHBondContact O-OG 3.24Å; T28-T181 VanDerWaalsContact OG1-CG2 3.27Å; T28-T181 WeakPolarHBondContact OG1-CG2 3.43Å; T28-T181 PolarHBondContact OG1-OG1 2.92Å; T28-T181 VanDerWaalsContact OG1-OG1 3.07Å; T28-R185 PolarHBondContact O-NH2 3.03Å
29L83.4Confident80.8Confident2 Ų256.5 Ų56.51%0.0131%0.313CS..THydrogen-bonded Turntrans-57.5-42-173.4-82168.3000112.5C25 L49 A51 F53 T181 V184 R185 I188C25-L29 HydrophobicContact CB-CD1 3.89Å; C25-L29 HydrophobicContact CB-CG 4.21Å; C25-L29 WeakPolarHBondContact O-CB 3.28Å; C25-L29 WeakPolarHBondContact O-CD1 3.33Å; C25-L29 WeakPolarHBondContact O-CG 3.04Å; C25-L29 PolarHBondContact O-N 3.3Å; L29-L49 CarbonylContact C-O 3.56Å; L29-L49 VanDerWaalsContact C-O 3.25Å; L29-A51 HydrophobicContact CD1-CB 3.95Å; L29-F53 HydrophobicContact CD1-CE2 4.2Å; L29-F53 HydrophobicContact CD1-CZ 3.94Å; L29-T181 HydrophobicContact CD2-CG2 4.36Å; L29-V184 HydrophobicContact CD2-CB 4.41Å; L29-V184 HydrophobicContact CD2-CG1 3.9Å; L29-R185 HydrophobicContact CD2-CG 3.71Å; L29-R185 PolarHBondContact O-NE 3.44Å; L29-I188 HydrophobicContact CD2-CD1 4.26Å
30G79.8Confident79.9Confident34 Ų3460.5 Ų60.535%0.35132%0.324SS..THydrogen-bonded Turntrans-83.1-4.318000000115.7T28 L49T28-G30 VanDerWaalsContact C-N 3.3Å; T28-G30 PolarHBondContact O-N 2.94Å; G30-L49 WeakPolarHBondContact CA-O 3.27Å; G30-L49 PolarHBondContact N-O 3.26Å
31S77.4Confident79.1Confident80 Ų8060.1 Ų60.156%0.55933%0.328SS*.THydrogen-bonded Turntrans-74.6-31.4-171.7710000113.9T28 R185T28-S31 WeakPolarHBondContact O-CB 3.48Å; T28-S31 PolarHBondContact O-N 2.98Å; T28-S31 VanDerWaalsContact O-N 3.08Å; T28-S31 PolarHBondContact O-OG 3.24Å; S31-R185 PolarHBondContact OG-NH2 3.18Å
32Q74.5Confident78.2Confident106 Ų10664.8 Ų64.850%0.49536%0.361SS..SBendtrans-120.3143.4178.9-64.7172.6-30.200110
33Q78.2Confident77.3Confident108 Ų10867.9 Ų67.951%0.50538%0.376SS..  trans-77.1142173.7-59.9-179.2800110.2S46 V47 R48Q33-S46 VanDerWaalsContact CB-OG 3.25Å; Q33-S46 WeakPolarHBondContact CB-OG 3.35Å; Q33-S46 PolarHBondContact OE1-OG 2.88Å; Q33-V47 CarbonylContact C-O 3.58Å; Q33-V47 WeakPolarHBondContact CA-O 3.39Å; Q33-R48 HydrophobicContact CG-CG 3.7Å
34V78.9Confident76.8Confident22 Ų2268.1 Ų68.113%0.13337%0.374CS..EExtended strand (participates in β ladder)trans-112.8132.5176.2-176.20000107.6V47 L49 R185 I189V34-V47 PolarHBondContact N-O 2.95Å; V34-V47 PolarHBondContact O-N 3.49Å; V34-L49 HydrophobicContact CB-CD1 4.39Å; V34-L49 HydrophobicContact CG2-CD1 3.97Å; V34-L49 HydrophobicContact CG2-CG 4.41Å; V34-R185 HydrophobicContact CG2-CB 3.71Å; V34-R185 HydrophobicContact CG2-CG 3.91Å; V34-I189 HydrophobicContact CG1-CG1 3.9Å
35V79.9Confident76.6Confident92 Ų9265.8 Ų65.856%0.55837%0.367SS*.EExtended strand (participates in β ladder)trans-88.5127.7176179.40000108.9V44 H45V35-V44 HydrophobicContact CB-CG1 4.5Å; V35-V44 HydrophobicContact CG1-CG1 3.04Å; V35-H45 WeakPolarHBondContact CA-O 3.31Å
36W82Confident76.2Confident6 Ų668.8 Ų68.82%0.02339%0.388CS..EExtended strand (participates in β ladder)trans-124.1157.6166.382.5-74.2000110H38 H45 I189 M193 I196 Y231 L234W36-H38 HydrophobicContact CH2-CB 4.5Å; W36-H38 HydrophobicContact CZ3-CB 4.29Å; W36-H45 AromaticContact CE2-CD2 3.9Å; W36-H45 AromaticContact CZ2-CD2 3.74Å; W36-H45 PolarHBondContact N-O 3.02Å; W36-H45 VanDerWaalsContact NE1-CB 3.32Å; W36-H45 PolarHBondContact O-N 3.37Å; W36-I189 HydrophobicContact CB-CD1 4.2Å; W36-I189 HydrophobicContact CB-CG2 3.75Å; W36-M193 HydrophobicContact CE3-CE 4.47Å; W36-M193 HydrophobicContact CE3-SD 3.48Å; W36-M193 HydrophobicContact CZ3-SD 3.63Å; W36-I196 HydrophobicContact CH2-CD1 4.33Å; W36-I196 HydrophobicContact CZ3-CD1 4.05Å; W36-Y231 AromaticContact CH2-CD1 3.94Å; W36-Y231 HydrophobicContact CH2-CD1 3.94Å; W36-Y231 HydrophobicContact CH2-CE1 4.03Å; W36-Y231 HydrophobicContact CZ2-CD1 4.47Å; W36-L234 HydrophobicContact CD2-CB 4.34Å; W36-L234 HydrophobicContact CD2-CD1 4.19Å; W36-L234 HydrophobicContact CE3-CD1 4.18Å; W36-L234 HydrophobicContact CH2-CB 4.32Å; W36-L234 HydrophobicContact CH2-CD1 3.84Å; W36-L234 HydrophobicContact CZ2-CB 3.53Å; W36-L234 HydrophobicContact CZ2-CD1 3.87Å; W36-L234 HydrophobicContact CZ2-CG 4.34Å; W36-L234 HydrophobicContact CZ3-CD1 3.99Å; W36-L234 PolarHBondContact NE1-O 3.35Å
37K76.4Confident76Confident114 Ų11464.2 Ų64.250%0.49636%0.364SS..EExtended strand (participates in β ladder)trans-130.9133.7-179.4-175.5-176.9179.7-178.70108L41 M43 V44 M193K37-L41 WeakPolarHBondContact CE-O 3.44Å; K37-M43 WeakPolarHBondContact CG-O 3.44Å; K37-V44 HydrophobicContact CB-CG2 4.26Å; K37-V44 HydrophobicContact CD-CG2 4.16Å; K37-V44 HydrophobicContact CG-CG2 4.01Å; K37-M193 WeakPolarHBondContact O-CE 3.5Å
38H75.3Confident75.8Confident10 Ų1068.7 Ų68.75%0.04637%0.37CS..  trans-59.6140.7176.2-167.6-95.1000110.8W36 K40 L41 Y231W36-H38 HydrophobicContact CH2-CB 4.5Å; W36-H38 HydrophobicContact CZ3-CB 4.29Å; H38-K40 VanDerWaalsContact C-N 3.25Å; H38-K40 PolarHBondContact ND1-N 3.48Å; H38-K40 PolarHBondContact O-N 3.47Å; H38-L41 HydrophobicContact CB-CB 3.88Å; H38-L41 WeakPolarHBondContact ND1-CG 3.49Å; H38-L41 PolarHBondContact ND1-N 3.43Å; H38-L41 PolarHBondContact O-N 2.85Å; H38-L41 VanDerWaalsContact O-O 3.05Å; H38-Y231 AromaticContact CD2-CE1 3.67Å; H38-Y231 AromaticContact NE2-CE1 3.76Å; H38-Y231 AromaticContact NE2-CZ 3.68Å; H38-Y231 PolarHBondContact NE2-OH 2.89Å
39P68.7Low75.7Confident64 Ų6468 Ų6842%0.41637%0.365SS..SBendtrans-59.9-36.4-175.9-16.424.2000113.3M193 V197P39-M193 HydrophobicContact CB-CE 4.24Å; P39-M193 VanDerWaalsContact CD-CE 3.48Å; P39-M193 HydrophobicContact CG-CE 3.45Å; P39-M193 VanDerWaalsContact CG-CE 3.45Å; P39-M193 HydrophobicContact CG-SD 4.13Å; P39-V197 HydrophobicContact CG-CG2 4.27Å
40K67.1Low75.4Confident151 Ų15169.2 Ų69.266%0.65738%0.378SS*.SBendtrans-101.3-19.1-175.4-66172.4177.1162.20114.2H38 D200H38-K40 VanDerWaalsContact C-N 3.25Å; H38-K40 PolarHBondContact ND1-N 3.48Å; H38-K40 PolarHBondContact O-N 3.47Å; K40-D200 WeakPolarHBondContact CE-OD2 3.33Å; K40-D200 IonicContact NZ-OD2 2.9Å; K40-D200 PolarHBondContact NZ-OD2 3.23Å
41L65.3Low75.5Confident79 Ų7968 Ų6841%0.41436%0.364SS..SBendtrans-113.7145.7-169.9-56.8167.8000110K37 H38 M43 H239K37-L41 WeakPolarHBondContact CE-O 3.44Å; H38-L41 HydrophobicContact CB-CB 3.88Å; H38-L41 WeakPolarHBondContact ND1-CG 3.49Å; H38-L41 PolarHBondContact ND1-N 3.43Å; H38-L41 PolarHBondContact O-N 2.85Å; H38-L41 VanDerWaalsContact O-O 3.05Å; L41-M43 PolarHBondContact O-N 2.98Å; L41-H239 WeakPolarHBondContact CD1-CE1 3.41Å; L41-H239 WeakPolarHBondContact CD1-ND1 3.35Å
42S64.5Low75.9Confident102 Ų10266.5 Ų66.571%0.71335%0.354SS*.  trans-73.4-12.9-177.250.30000113.6
43M69.3Low76.5Confident101 Ų10163.1 Ų63.150%0.49834%0.337SS..  trans-67.6137.4-178.6-83.4-178.2154.200113.1K37 L41K37-M43 WeakPolarHBondContact CG-O 3.44Å; L41-M43 PolarHBondContact O-N 2.98Å
44V74.7Confident77Confident86 Ų8660 Ų6052%0.52133%0.326SS..EExtended strand (participates in β ladder)trans-119.7127.3-176.5177.70000107.9V35 K37V35-V44 HydrophobicContact CB-CG1 4.5Å; V35-V44 HydrophobicContact CG1-CG1 3.04Å; K37-V44 HydrophobicContact CB-CG2 4.26Å; K37-V44 HydrophobicContact CD-CG2 4.16Å; K37-V44 HydrophobicContact CG-CG2 4.01Å
45H77.9Confident77.6Confident29 Ų2962.1 Ų62.113%0.13433%0.331CS..EExtended strand (participates in β ladder)trans-119.9140.4-174.2-62.9-63.4000110.5V35 W36 H239V35-H45 WeakPolarHBondContact CA-O 3.31Å; W36-H45 AromaticContact CE2-CD2 3.9Å; W36-H45 AromaticContact CZ2-CD2 3.74Å; W36-H45 PolarHBondContact N-O 3.02Å; W36-H45 VanDerWaalsContact NE1-CB 3.32Å; W36-H45 PolarHBondContact O-N 3.37Å; H45-H239 AromaticContact CD2-NE2 3.83Å; H45-H239 AromaticContact CE1-NE2 3.95Å; H45-H239 AromaticContact NE2-CD2 3.29Å; H45-H239 PolarHBondContact NE2-CD2 3.5Å; H45-H239 VanDerWaalsContact NE2-CD2 3.29Å; H45-H239 AromaticContact NE2-NE2 2.95Å; H45-H239 PolarHBondContact NE2-NE2 3.43Å
46S76.4Confident78Confident64 Ų6459.7 Ų59.745%0.44831%0.314SS..EExtended strand (participates in β ladder)trans-105.7119.6179.1-162.80000110Q33Q33-S46 VanDerWaalsContact CB-OG 3.25Å; Q33-S46 WeakPolarHBondContact CB-OG 3.35Å; Q33-S46 PolarHBondContact OE1-OG 2.88Å
47V79.9Confident78.1Confident8 Ų867.4 Ų67.45%0.04834%0.342CS..EExtended strand (participates in β ladder)trans-125.5136.9-169-174.20000110.8Q33 V34 L49 F233 L234Q33-V47 CarbonylContact C-O 3.58Å; Q33-V47 WeakPolarHBondContact CA-O 3.39Å; V34-V47 PolarHBondContact N-O 2.95Å; V34-V47 PolarHBondContact O-N 3.49Å; V47-L49 HydrophobicContact CG1-CD2 3.88Å; V47-F233 WeakPolarHBondContact CG1-O 3.29Å; V47-L234 WeakPolarHBondContact CG2-O 3.4Å
48R78.6Confident78.3Confident169 Ų16965.2 Ų65.264%0.63834%0.339SS*.  trans-93.8115.1165.8-64.1-171.9-149.5-168.16.9109Q33Q33-R48 HydrophobicContact CG-CG 3.7Å
49L80.9Confident78.3Confident1 Ų167.9 Ų67.91%0.00536%0.358CS..  trans-81.8125.2-176.5-60.6175.1000110.4L29 G30 V34 V47 R185 I188 I189 F233L29-L49 CarbonylContact C-O 3.56Å; L29-L49 VanDerWaalsContact C-O 3.25Å; G30-L49 WeakPolarHBondContact CA-O 3.27Å; G30-L49 PolarHBondContact N-O 3.26Å; V34-L49 HydrophobicContact CB-CD1 4.39Å; V34-L49 HydrophobicContact CG2-CD1 3.97Å; V34-L49 HydrophobicContact CG2-CG 4.41Å; V47-L49 HydrophobicContact CG1-CD2 3.88Å; L49-R185 HydrophobicContact CD1-CB 3.83Å; L49-R185 HydrophobicContact CD1-CG 3.93Å; L49-I188 HydrophobicContact CD1-CB 4.37Å; L49-I188 HydrophobicContact CD1-CG2 4.25Å; L49-I188 HydrophobicContact CD2-CG2 4.41Å; L49-I189 HydrophobicContact CD1-CD1 4.18Å; L49-I189 HydrophobicContact CD1-CG1 4.14Å; L49-I189 HydrophobicContact CD2-CD1 3.93Å; L49-F233 HydrophobicContact CD2-CE1 4.23Å; L49-F233 HydrophobicContact CD2-CE2 4.4Å; L49-F233 HydrophobicContact CD2-CZ 3.68Å
50G77.5Confident78.4Confident28 Ų2866.3 Ų66.329%0.28935%0.346SS..  trans-101.6158.3158.400000109.8P7P7-G50 WeakPolarHBondContact CD-O 3.45Å; P7-G50 VanDerWaalsContact CG-O 3.29Å; P7-G50 WeakPolarHBondContact CG-O 3.24Å
51A82.6Confident78.6Confident7 Ų759.6 Ų59.66%0.05832%0.317CS..  trans-146.9156.817300000110.7P7 I9 L26 L29 F53P7-A51 HydrophobicContact CG-CB 4.32Å; P7-A51 WeakPolarHBondContact O-CA 3.38Å; I9-A51 HydrophobicContact CD1-CB 3.53Å; I9-A51 HydrophobicContact CG1-CB 4.09Å; L26-A51 WeakPolarHBondContact CD2-O 3.26Å; L29-A51 HydrophobicContact CD1-CB 3.95Å; A51-F53 HydrophobicContact CB-CE2 4.4Å
52C84.8Confident78.3Confident49 Ų4962.6 Ų62.633%0.33133%0.328SS..EExtended strand (participates in β ladder)trans-114.6130.1170.4-72.20000108.6P7 V8 I9P7-C52 PolarHBondContact O-N 3.02Å; V8-C52 CarbonylContact C-O 3.43Å; V8-C52 VanDerWaalsContact CA-O 3.31Å; V8-C52 WeakPolarHBondContact CA-O 3.21Å; I9-C52 PolarHBondContact N-O 2.95Å
53F87.5Confident77.9Confident36 Ų3659.2 Ų59.216%0.15831%0.305CS..EExtended strand (participates in β ladder)trans-96.8139.1179.6-66.2-86000110.6I9 C11 F21 E22 C25 L26 L29 A51I9-F53 HydrophobicContact CB-CD1 3.79Å; I9-F53 HydrophobicContact CB-CE1 3.89Å; I9-F53 HydrophobicContact CD1-CD1 4.49Å; I9-F53 HydrophobicContact CD1-CE1 3.79Å; I9-F53 HydrophobicContact CD1-CZ 3.99Å; I9-F53 HydrophobicContact CG1-CE1 4.41Å; I9-F53 HydrophobicContact CG2-CD1 3.89Å; I9-F53 HydrophobicContact CG2-CE1 3.81Å; I9-F53 CarbonylContact O-C 3.53Å; I9-F53 WeakPolarHBondContact O-CA 3.34Å; C11-F53 VanDerWaalsContact SG-CD1 3.56Å; F21-F53 HydrophobicContact CE1-CD1 4.4Å; F21-F53 AromaticContact CE1-CE1 3.79Å; F21-F53 HydrophobicContact CE1-CE1 3.79Å; F21-F53 HydrophobicContact CE1-CZ 4.48Å; F21-F53 HydrophobicContact CZ-CE1 4.43Å; E22-F53 HydrophobicContact CB-CD2 4.45Å; E22-F53 HydrophobicContact CB-CG 4.41Å; E22-F53 HydrophobicContact CG-CB 3.84Å; E22-F53 HydrophobicContact CG-CD1 4.17Å; E22-F53 HydrophobicContact CG-CD2 4.41Å; E22-F53 HydrophobicContact CG-CG 3.88Å; C25-F53 HydrophobicContact CB-CE1 4.48Å; C25-F53 HydrophobicContact CB-CE2 3.91Å; C25-F53 HydrophobicContact CB-CZ 3.51Å; L26-F53 HydrophobicContact CD1-CD2 4.29Å; L26-F53 HydrophobicContact CD2-CD2 3.84Å; L26-F53 HydrophobicContact CD2-CE2 3.81Å; L26-F53 HydrophobicContact CG-CD2 3.84Å; L26-F53 HydrophobicContact CG-CE2 3.8Å; L29-F53 HydrophobicContact CD1-CE2 4.2Å; L29-F53 HydrophobicContact CD1-CZ 3.94Å; A51-F53 HydrophobicContact CB-CE2 4.4Å
54T88.5Confident76.9Confident43 Ų4363 Ų6326%0.26433%0.328SS..EExtended strand (participates in β ladder)trans-136.4152.7174-167.90000109.3V8 I9 S10 C11 Q60 P82V8-T54 HydrophobicContact CG1-CG2 3.43Å; V8-T54 VanDerWaalsContact CG1-CG2 3.43Å; I9-T54 PolarHBondContact O-N 3.34Å; S10-T54 CarbonylContact C-O 3.56Å; S10-T54 WeakPolarHBondContact CA-O 3.47Å; C11-T54 PolarHBondContact N-O 3.35Å; T54-Q60 VanDerWaalsContact CG2-NE2 3.31Å; T54-Q60 PolarHBondContact OG1-NE2 3.39Å; T54-P82 HydrophobicContact CG2-CG 4.32Å
55R91Very high75.9Confident65 Ų6560.5 Ų60.525%0.24531%0.312CS..EExtended strand (participates in β ladder)trans-78.8142.9174.4-59.7-52.8176.191.95.6110.8C11 E15 L18 E22 R57 Q60C11-R55 CarbonylContact O-C 3.58Å; C11-R55 WeakPolarHBondContact O-CA 3.05Å; E15-R55 IonicContact OE1-NH1 3.64Å; E15-R55 PolarHBondContact OE1-NH1 3.25Å; E15-R55 IonicContact OE2-CZ 3.68Å; E15-R55 IonicContact OE2-NH1 2.68Å; E15-R55 PolarHBondContact OE2-NH1 3Å; L18-R55 VanDerWaalsContact CB-CZ 3.49Å; E22-R55 IonicContact OE1-CZ 2.66Å; E22-R55 IonicContact OE1-NE 3.67Å; E22-R55 PolarHBondContact OE1-NE 3.19Å; E22-R55 IonicContact OE1-NH2 2.6Å; E22-R55 PolarHBondContact OE1-NH2 3.44Å; E22-R55 IonicContact OE2-NH2 2.94Å; R55-R57 PolarHBondContact O-N 3.21Å; R55-Q60 PolarHBondContact O-NE2 3.48Å; R55-Q60 PolarHBondContact O-OE1 3.01Å
56F89.1Confident75Confident42 Ų4264.6 Ų64.618%0.18433%0.329CS..  trans-60.9126-178.2177.3-99.6000111.5S10 C11 A12 V58 L61 Y85 W108 H111 L112S10-F56 WeakPolarHBondContact OG-CA 3.43Å; S10-F56 WeakPolarHBondContact OG-CB 3.47Å; C11-F56 PolarHBondContact O-N 3.08Å; A12-F56 HydrophobicContact CB-CB 3.8Å; A12-F56 HydrophobicContact CB-CG 4.41Å; F56-V58 HydrophobicContact CE1-CG2 4.13Å; F56-L61 HydrophobicContact CE2-CD1 3.98Å; F56-L61 HydrophobicContact CE2-CG 4.35Å; F56-L61 HydrophobicContact CZ-CD1 3.85Å; F56-Y85 AromaticContact CD2-CD1 3.88Å; F56-Y85 HydrophobicContact CD2-CD1 3.88Å; F56-Y85 HydrophobicContact CD2-CE1 4.04Å; F56-Y85 HydrophobicContact CE2-CD1 4.04Å; F56-Y85 HydrophobicContact CE2-CE1 4.03Å; F56-W108 AromaticContact CD1-CD1 3.68Å; F56-W108 AromaticContact CD2-CD1 3.94Å; F56-W108 AromaticContact CD2-NE1 3.65Å; F56-W108 AromaticContact CE1-CD1 3.65Å; F56-W108 AromaticContact CE2-CD1 3.9Å; F56-W108 AromaticContact CE2-NE1 3.84Å; F56-W108 AromaticContact CG-CD1 3.82Å; F56-W108 AromaticContact CG-NE1 3.83Å; F56-W108 AromaticContact CZ-CD1 3.75Å; F56-H111 HydrophobicContact CZ-CB 4.19Å; F56-L112 HydrophobicContact CE2-CD2 4.13Å
57R84.3Confident74.1Confident167 Ų16765.8 Ų65.863%0.6333%0.334SS*.  trans-130.2135.3171.2-62.7-179.8179.8180-0.5108.8R55 S59 Q60R55-R57 PolarHBondContact O-N 3.21Å; R57-S59 PolarHBondContact O-N 3.38Å; R57-S59 VanDerWaalsContact O-N 3.14Å; R57-Q60 HydrophobicContact CB-CG 4.13Å; R57-Q60 VanDerWaalsContact N-OE1 3.14Å; R57-Q60 VanDerWaalsContact O-CB 3.28Å; R57-Q60 WeakPolarHBondContact O-CB 3.13Å; R57-Q60 PolarHBondContact O-N 3.33Å
58V80.9Confident73Confident69 Ų6965.9 Ų65.942%0.41833%0.334SS..G310 helixtrans-59-29177.3-178.10000111.4F56 Q60 L61F56-V58 HydrophobicContact CE1-CG2 4.13Å; V58-Q60 VanDerWaalsContact C-N 3.26Å; V58-Q60 PolarHBondContact O-N 3.24Å; V58-L61 WeakPolarHBondContact O-CB 3.49Å; V58-L61 PolarHBondContact O-N 3.05Å; V58-L61 VanDerWaalsContact O-N 3.09Å
59S74.6Confident71.9Confident65 Ų6563.3 Ų63.346%0.45534%0.342SS..G310 helixtrans-62.7-27173.457.10000113.9R57 L61 Q62R57-S59 PolarHBondContact O-N 3.38Å; R57-S59 VanDerWaalsContact O-N 3.14Å; S59-L61 PolarHBondContact O-N 2.87Å; S59-Q62 VanDerWaalsContact O-CB 3.25Å; S59-Q62 WeakPolarHBondContact O-CB 3.23Å; S59-Q62 PolarHBondContact O-N 3.43Å
60Q71.9Confident70.7Confident32 Ų3267.2 Ų67.215%0.1537%0.369CS..G310 helixtrans-68.2-16.9175.2-67.6167-20.900112.6S10 T54 R55 R57 V58 Q62 P82S10-Q60 PolarHBondContact OG-OE1 3.38Å; T54-Q60 VanDerWaalsContact CG2-NE2 3.31Å; T54-Q60 PolarHBondContact OG1-NE2 3.39Å; R55-Q60 PolarHBondContact O-NE2 3.48Å; R55-Q60 PolarHBondContact O-OE1 3.01Å; R57-Q60 HydrophobicContact CB-CG 4.13Å; R57-Q60 VanDerWaalsContact N-OE1 3.14Å; R57-Q60 VanDerWaalsContact O-CB 3.28Å; R57-Q60 WeakPolarHBondContact O-CB 3.13Å; R57-Q60 PolarHBondContact O-N 3.33Å; V58-Q60 VanDerWaalsContact C-N 3.26Å; V58-Q60 PolarHBondContact O-N 3.24Å; Q60-Q62 VanDerWaalsContact C-N 3.35Å; Q60-P82 HydrophobicContact CB-CG 4.2Å; Q60-P82 HydrophobicContact CG-CG 4.5Å
61L70.9Confident69.9Low9 Ų967.1 Ų67.15%0.04737%0.368CS..G310 helixtrans-87.7-6.8173.7-60.9169.3000112.4F56 V58 S59 S63 Y85 H111 L112 R115 V117F56-L61 HydrophobicContact CE2-CD1 3.98Å; F56-L61 HydrophobicContact CE2-CG 4.35Å; F56-L61 HydrophobicContact CZ-CD1 3.85Å; V58-L61 WeakPolarHBondContact O-CB 3.49Å; V58-L61 PolarHBondContact O-N 3.05Å; V58-L61 VanDerWaalsContact O-N 3.09Å; S59-L61 PolarHBondContact O-N 2.87Å; L61-S63 PolarHBondContact O-N 2.95Å; L61-S63 VanDerWaalsContact O-N 3.17Å; L61-Y85 HydrophobicContact CD2-CE1 3.97Å; L61-Y85 WeakPolarHBondContact CD2-OH 3.41Å; L61-H111 HydrophobicContact CD1-CB 3.94Å; L61-L112 HydrophobicContact CD1-CD2 4.45Å; L61-L112 HydrophobicContact CD2-CD2 4.01Å; L61-R115 HydrophobicContact CB-CG 4.2Å; L61-V117 HydrophobicContact CD2-CG2 4.13Å
62Q58.4Low69Low142 Ų14270.4 Ų70.466%0.66438%0.379SS*.  trans-78.498.6177.2-64175.7-15.100108.9S59 Q60S59-Q62 VanDerWaalsContact O-CB 3.25Å; S59-Q62 WeakPolarHBondContact O-CB 3.23Å; S59-Q62 PolarHBondContact O-N 3.43Å; Q60-Q62 VanDerWaalsContact C-N 3.35Å
63S55.7Low68.1Low32 Ų3269.2 Ų69.222%0.22437%0.371CS..  trans-134.5129.5164.665.50000107.5L61 V65L61-S63 PolarHBondContact O-N 2.95Å; L61-S63 VanDerWaalsContact O-N 3.17Å; S63-V65 PolarHBondContact O-N 2.9Å; S63-V65 WeakPolarHBondContact OG-CB 3.47Å; S63-V65 WeakPolarHBondContact OG-CG2 3.31Å
64N48.4Very low67.2Low181 Ų18168 Ų6897%0.96837%0.366SS*.  trans-74.151.9172.2-73-16.9000109.5
65V55.4Low66.4Low33 Ų3366.6 Ų66.620%0.236%0.356CS..PPolyproline II helixtrans-89.8132.3-165.7153.50000109.9S63 V67 P73 I74 P76S63-V65 PolarHBondContact O-N 2.9Å; S63-V65 WeakPolarHBondContact OG-CB 3.47Å; S63-V65 WeakPolarHBondContact OG-CG2 3.31Å; V65-V67 PolarHBondContact O-N 3.09Å; V65-P73 HydrophobicContact CB-CB 4.32Å; V65-P73 HydrophobicContact CG1-CB 3.55Å; V65-I74 VanDerWaalsContact CG1-C 3.42Å; V65-I74 HydrophobicContact CG1-CB 4.04Å; V65-I74 WeakPolarHBondContact CG1-O 3.33Å; V65-I74 WeakPolarHBondContact CG2-O 3.44Å; V65-P76 HydrophobicContact CG2-CG 4.34Å
66K57.6Low65.1Low114 Ų11464.8 Ų64.850%0.49635%0.352SS..PPolyproline II helixtrans-55.2135.3171.7-68-174.5-179.5-1790109.2I74 E219K66-I74 HydrophobicContact CB-CD1 3.98Å; K66-I74 WeakPolarHBondContact O-CD1 3.01Å; K66-I74 PolarHBondContact O-N 3.44Å; K66-I74 VanDerWaalsContact O-N 3.09Å; K66-E219 WeakPolarHBondContact CE-OE1 3.38Å; K66-E219 IonicContact NZ-OE1 2.83Å; K66-E219 PolarHBondContact NZ-OE1 3.09Å; K66-E219 IonicContact NZ-OE2 3.57Å; K66-E219 PolarHBondContact NZ-OE2 3.4Å
67V58.3Low63.9Low90 Ų9063.7 Ų63.755%0.54535%0.349SS..BIsolated β-bridgetrans-101.2130.5-176.7-174.50000108.1V65 G71V65-V67 PolarHBondContact O-N 3.09Å; V67-G71 VanDerWaalsContact CG1-CA 3.47Å; V67-G71 WeakPolarHBondContact CG1-O 3.16Å
68L56Low62.6Low10 Ų1056.5 Ų56.55%0.05233%0.327CS..PPolyproline II helixtrans-66.1164.1173.7-65.6175000110.8S70 G71 R72 I74 D198 V201 H202 M205L68-S70 WeakPolarHBondContact CB-OG 3.08Å; L68-S70 PolarHBondContact O-N 3.49Å; L68-G71 WeakPolarHBondContact O-CA 3.29Å; L68-G71 PolarHBondContact O-N 3.41Å; L68-R72 PolarHBondContact N-O 2.79Å; L68-I74 HydrophobicContact CD1-CG1 4.38Å; L68-I74 HydrophobicContact CD2-CD1 3.8Å; L68-I74 HydrophobicContact CD2-CG1 3.83Å; L68-I74 HydrophobicContact CG-CD1 4.19Å; L68-I74 HydrophobicContact CG-CG1 3.8Å; L68-D198 HydrophobicContact CD1-CB 3.71Å; L68-V201 HydrophobicContact CD2-CB 4.41Å; L68-V201 HydrophobicContact CD2-CG1 4.07Å; L68-H202 HydrophobicContact CD2-CB 4.02Å; L68-M205 HydrophobicContact CD2-SD 4.39Å
69S55.5Low61.7Low115 Ų11554.9 Ų54.980%0.80432%0.317SS*.THydrogen-bonded Turntrans-56.4-22.2171.4-47.80000113.3G71 M205S69-G71 PolarHBondContact O-N 2.64Å; S69-M205 WeakPolarHBondContact OG-CE 3.19Å
70S56.5Low61Low82 Ų8259.4 Ų59.457%0.57333%0.329SS*.THydrogen-bonded Turntrans-72-7.1172.964.30000114.2L68 R72L68-S70 WeakPolarHBondContact CB-OG 3.08Å; L68-S70 PolarHBondContact O-N 3.49Å; S70-R72 PolarHBondContact O-N 3.27Å; S70-R72 PolarHBondContact OG-N 3.33Å
71G60.4Low61Low26 Ų2659.3 Ų59.327%0.26833%0.328SS..SBendtrans79.8-3.4-171.800000114V67 L68 S69 N116V67-G71 VanDerWaalsContact CG1-CA 3.47Å; V67-G71 WeakPolarHBondContact CG1-O 3.16Å; L68-G71 WeakPolarHBondContact O-CA 3.29Å; L68-G71 PolarHBondContact O-N 3.41Å; S69-G71 PolarHBondContact O-N 2.64Å; G71-N116 PolarHBondContact O-ND2 3.1Å
72R64.2Low61.4Low77 Ų7758.9 Ų58.929%0.29133%0.326SS..  trans-80.6133.8178.4-70.6-174.7173.7-166.6-4.3111.5L68 S70 S194L68-R72 PolarHBondContact N-O 2.79Å; S70-R72 PolarHBondContact O-N 3.27Å; S70-R72 PolarHBondContact OG-N 3.33Å; R72-S194 PolarHBondContact NH1-OG 3.42Å
73P66.1Low62.5Low23 Ų2352.8 Ų52.815%0.14930%0.298CS..BIsolated β-bridgetrans-72.5136.3173.129.9-33.4000111V65 R75 R115V65-P73 HydrophobicContact CB-CB 4.32Å; V65-P73 HydrophobicContact CG1-CB 3.55Å; P73-R75 PolarHBondContact O-N 3.06Å; P73-R75 VanDerWaalsContact O-N 3.12Å; P73-R115 WeakPolarHBondContact CG-O 3.4Å
74I68Low64Low10 Ų1051.4 Ų51.45%0.05129%0.288CS..  trans-71.298.4173.2-62.5150000110.3V65 K66 L68 P76 Y199 H202V65-I74 VanDerWaalsContact CG1-C 3.42Å; V65-I74 HydrophobicContact CG1-CB 4.04Å; V65-I74 WeakPolarHBondContact CG1-O 3.33Å; V65-I74 WeakPolarHBondContact CG2-O 3.44Å; K66-I74 HydrophobicContact CB-CD1 3.98Å; K66-I74 WeakPolarHBondContact O-CD1 3.01Å; K66-I74 PolarHBondContact O-N 3.44Å; K66-I74 VanDerWaalsContact O-N 3.09Å; L68-I74 HydrophobicContact CD1-CG1 4.38Å; L68-I74 HydrophobicContact CD2-CD1 3.8Å; L68-I74 HydrophobicContact CD2-CG1 3.83Å; L68-I74 HydrophobicContact CG-CD1 4.19Å; L68-I74 HydrophobicContact CG-CG1 3.8Å; I74-P76 VanDerWaalsContact O-CD 3.24Å; I74-P76 WeakPolarHBondContact O-CD 3.4Å; I74-Y199 HydrophobicContact CG2-CD2 4.43Å; I74-Y199 HydrophobicContact CG2-CE2 4.04Å; I74-H202 HydrophobicContact CD1-CB 3.83Å; I74-H202 VanDerWaalsContact CD1-ND1 3.28Å; I74-H202 WeakPolarHBondContact CD1-ND1 3.49Å; I74-H202 HydrophobicContact CG1-CB 4.24Å
75R70.8Confident65.9Low15 Ų1542.8 Ų42.86%0.05724%0.242CC..  trans-70.9115.2-175.1-76.9177.2-88.3-171.7-6.6111.7P73 V77 D119 I195 Y199P73-R75 PolarHBondContact O-N 3.06Å; P73-R75 VanDerWaalsContact O-N 3.12Å; R75-V77 PolarHBondContact O-N 3.47Å; R75-D119 IonicContact CZ-OD2 2.72Å; R75-D119 IonicContact NH1-OD2 3.11Å; R75-D119 PolarHBondContact NH1-OD2 3.18Å; R75-D119 IonicContact NH2-OD2 2.85Å; R75-D119 PolarHBondContact NH2-OD2 2.83Å; R75-I195 HydrophobicContact CB-CD1 4.34Å; R75-Y199 WeakPolarHBondContact O-CE2 3.38Å; R75-Y199 PolarHBondContact O-OH 3.33Å; R75-Y199 VanDerWaalsContact O-OH 3.07Å
76P65.3Low67.7Low27 Ų2741.2 Ų41.218%0.17523%0.233CC..  trans-62.4121.6178.525.7-36.1000111.7V65 I74 T79 Q81 Y199V65-P76 HydrophobicContact CG2-CG 4.34Å; I74-P76 VanDerWaalsContact O-CD 3.24Å; I74-P76 WeakPolarHBondContact O-CD 3.4Å; P76-T79 HydrophobicContact CB-CG2 3.76Å; P76-T79 HydrophobicContact CG-CG2 4.02Å; P76-T79 PolarHBondContact O-OG1 3.36Å; P76-Q81 VanDerWaalsContact CD-OE1 3.25Å; P76-Y199 WeakPolarHBondContact CA-OH 3.39Å
77V63.7Low69.3Low18 Ų1836.8 Ų36.811%0.10921%0.213CC..THydrogen-bonded Turntrans-76.9139.8179.8-176.80000111.3R75 T79 I195 Y199 E226 M230R75-V77 PolarHBondContact O-N 3.47Å; V77-T79 VanDerWaalsContact C-N 3.26Å; V77-T79 PolarHBondContact O-N 3.28Å; V77-I195 HydrophobicContact CG2-CG2 3.82Å; V77-Y199 HydrophobicContact CG2-CE2 3.85Å; V77-Y199 PolarHBondContact N-OH 3.39Å; V77-E226 HydrophobicContact CB-CB 3.99Å; V77-E226 HydrophobicContact CB-CG 4.49Å; V77-E226 WeakPolarHBondContact CB-O 3.28Å; V77-E226 WeakPolarHBondContact CG1-O 3.2Å; V77-E226 HydrophobicContact CG2-CB 4.45Å; V77-M230 HydrophobicContact CB-CE 4.32Å; V77-M230 HydrophobicContact CG1-CB 4.1Å; V77-M230 HydrophobicContact CG1-CE 3.73Å; V77-M230 HydrophobicContact CG1-SD 4.48Å; V77-M230 HydrophobicContact CG2-CE 3.59Å
78G57.1Low70.9Confident16 Ų1632.5 Ų32.517%0.16519%0.187CC..THydrogen-bonded Turntrans77.86.1176.600000115I4I4-G78 PolarHBondContact N-O 3.21Å; I4-G78 VanDerWaalsContact N-O 3.17Å
79T60.6Low72.5Confident35 Ų3532.7 Ų32.722%0.21519%0.188CC..SBendtrans-81.9174.3164.965.50000111P76 V77 Q81P76-T79 HydrophobicContact CB-CG2 3.76Å; P76-T79 HydrophobicContact CG-CG2 4.02Å; P76-T79 PolarHBondContact O-OG1 3.36Å; V77-T79 VanDerWaalsContact C-N 3.26Å; V77-T79 PolarHBondContact O-N 3.28Å; T79-Q81 PolarHBondContact O-N 2.93Å; T79-Q81 VanDerWaalsContact OG1-CB 3.31Å; T79-Q81 WeakPolarHBondContact OG1-CB 3.03Å; T79-Q81 PolarHBondContact OG1-N 3.35Å
80F60.1Low74Confident160 Ų16028.3 Ų28.370%0.70216%0.158SC*.SBendtrans-67.93170.9-68.9-81.6000113.8I4 P82I4-F80 HydrophobicContact CD1-CD1 3.55Å; I4-F80 HydrophobicContact CD1-CE1 3.46Å; I4-F80 VanDerWaalsContact CD1-CE1 3.46Å; I4-F80 HydrophobicContact CD1-CE2 4.49Å; I4-F80 HydrophobicContact CD1-CG 4.13Å; I4-F80 HydrophobicContact CD1-CZ 3.96Å; F80-P82 WeakPolarHBondContact O-CD 3.41Å
81Q71.2Confident75.4Confident30 Ų3025.8 Ų25.814%0.1414%0.138CC..SBendtrans-70.5125.4179.8-168.9165.9-5.400110.4P76 T79 L83P76-Q81 VanDerWaalsContact CD-OE1 3.25Å; T79-Q81 PolarHBondContact O-N 2.93Å; T79-Q81 VanDerWaalsContact OG1-CB 3.31Å; T79-Q81 WeakPolarHBondContact OG1-CB 3.03Å; T79-Q81 PolarHBondContact OG1-N 3.35Å; Q81-L83 PolarHBondContact O-N 3.15Å
82P79.3Confident76.5Confident1 Ų127.8 Ų27.81%0.00614%0.143CC..  trans-64.2134.7-179.5-2232.5000113.3V8 T54 Q60 F80 Y85V8-P82 HydrophobicContact CG1-CB 4.34Å; V8-P82 HydrophobicContact CG1-CG 4.22Å; V8-P82 CarbonylContact O-C 3.51Å; V8-P82 VanDerWaalsContact O-CA 3.23Å; V8-P82 WeakPolarHBondContact O-CA 3.39Å; T54-P82 HydrophobicContact CG2-CG 4.32Å; Q60-P82 HydrophobicContact CB-CG 4.2Å; Q60-P82 HydrophobicContact CG-CG 4.5Å; F80-P82 WeakPolarHBondContact O-CD 3.41Å; P82-Y85 HydrophobicContact CB-CE1 4.01Å; P82-Y85 HydrophobicContact CB-CE2 4.2Å; P82-Y85 HydrophobicContact CG-CE1 4.09Å
83L81.6Confident77.4Confident13 Ų1326.3 Ų26.37%0.06814%0.142CC..SBendtrans-74-42.6174.4177.568.6000111.6P7 V8 Q81 I188 A191 C192 I195P7-L83 HydrophobicContact CB-CB 4.09Å; P7-L83 HydrophobicContact CB-CD2 3.52Å; P7-L83 HydrophobicContact CB-CG 4.44Å; P7-L83 HydrophobicContact CG-CD2 4.4Å; V8-L83 PolarHBondContact O-N 3.2Å; Q81-L83 PolarHBondContact O-N 3.15Å; L83-I188 HydrophobicContact CD2-CG2 3.91Å; L83-A191 HydrophobicContact CD1-CB 3.87Å; L83-A191 HydrophobicContact CD2-CB 4.44Å; L83-A191 HydrophobicContact CG-CB 3.87Å; L83-C192 VanDerWaalsContact CD2-SG 3.5Å; L83-I195 HydrophobicContact CD1-CD1 3.28Å; L83-I195 HydrophobicContact CD1-CG1 4.44Å
84L87Confident78.1Confident4 Ų428.1 Ų28.12%0.02116%0.155CC..EExtended strand (participates in β ladder)trans-132.4139.6-174.1-178.768.7000109.6I9 S10 I86 D119 I188I9-L84 WeakPolarHBondContact CA-O 3.27Å; I9-L84 HydrophobicContact CG1-CB 4.46Å; I9-L84 HydrophobicContact CG2-CB 4.48Å; S10-L84 PolarHBondContact N-O 3.18Å; L84-I86 HydrophobicContact CD2-CD1 3.97Å; L84-I86 HydrophobicContact CD2-CG1 4.06Å; L84-I86 HydrophobicContact CG-CG1 4.1Å; L84-D119 HydrophobicContact CD1-CB 4.46Å; L84-I188 HydrophobicContact CD2-CG1 4.11Å
85Y89.7Confident78.8Confident0 Ų031.6 Ų31.60%017%0.171CC..EExtended strand (participates in β ladder)trans-112118.6178.9-64.8-96.4000110.2S10 F56 L61 P82 L112 V117 D119 W120 L121S10-Y85 VanDerWaalsContact CB-CD1 3.45Å; S10-Y85 CarbonylContact O-C 3.54Å; S10-Y85 WeakPolarHBondContact O-CA 3.45Å; F56-Y85 AromaticContact CD2-CD1 3.88Å; F56-Y85 HydrophobicContact CD2-CD1 3.88Å; F56-Y85 HydrophobicContact CD2-CE1 4.04Å; F56-Y85 HydrophobicContact CE2-CD1 4.04Å; F56-Y85 HydrophobicContact CE2-CE1 4.03Å; L61-Y85 HydrophobicContact CD2-CE1 3.97Å; L61-Y85 WeakPolarHBondContact CD2-OH 3.41Å; P82-Y85 HydrophobicContact CB-CE1 4.01Å; P82-Y85 HydrophobicContact CB-CE2 4.2Å; P82-Y85 HydrophobicContact CG-CE1 4.09Å; Y85-L112 HydrophobicContact CD1-CD2 3.74Å; Y85-L112 HydrophobicContact CD2-CD2 4.24Å; Y85-L112 HydrophobicContact CE1-CD2 4.04Å; Y85-L112 HydrophobicContact CG-CD2 3.86Å; Y85-V117 HydrophobicContact CD2-CG1 3.62Å; Y85-V117 HydrophobicContact CE2-CG1 3.62Å; Y85-D119 PolarHBondContact N-O 2.67Å; Y85-D119 VanDerWaalsContact N-O 3.16Å; Y85-W120 CarbonylContact O-C 3.52Å; Y85-W120 WeakPolarHBondContact O-CA 3.32Å; Y85-W120 WeakPolarHBondContact O-CB 3.4Å; Y85-L121 PolarHBondContact O-N 3.17Å
86I92.1Very high79.5Confident0 Ų031.1 Ų31.10%017%0.169CC..EExtended strand (participates in β ladder)trans-113.8131.3-177.5-56.6-173.5000109.3I9 S10 C11 A12 F21 L84 V88 L121 I123I9-I86 HydrophobicContact CG2-CD1 3.59Å; I9-I86 HydrophobicContact CG2-CG1 3.76Å; S10-I86 PolarHBondContact O-N 3.22Å; C11-I86 CarbonylContact C-O 3.51Å; C11-I86 VanDerWaalsContact CA-O 3.29Å; C11-I86 WeakPolarHBondContact CA-O 3.16Å; A12-I86 PolarHBondContact N-O 3.13Å; F21-I86 HydrophobicContact CE1-CD1 4.08Å; F21-I86 HydrophobicContact CE1-CG2 4.29Å; F21-I86 HydrophobicContact CZ-CD1 3.7Å; F21-I86 HydrophobicContact CZ-CG2 4.15Å; L84-I86 HydrophobicContact CD2-CD1 3.97Å; L84-I86 HydrophobicContact CD2-CG1 4.06Å; L84-I86 HydrophobicContact CG-CG1 4.1Å; I86-V88 HydrophobicContact CG2-CG2 4.05Å; I86-L121 CarbonylContact C-O 3.57Å; I86-L121 VanDerWaalsContact CA-O 3.27Å; I86-L121 WeakPolarHBondContact CA-O 3.36Å; I86-L121 HydrophobicContact CD1-CD2 4.47Å; I86-L121 HydrophobicContact CG1-CB 4.33Å; I86-I123 HydrophobicContact CG2-CD1 3.52Å; I86-I123 HydrophobicContact CG2-CG1 4.07Å
87Y91.8Very high80.4Confident21 Ų2133.7 Ų33.78%0.08219%0.185CC..EExtended strand (participates in β ladder)trans-112.4122.9169.7-164.2-77.7000109.6A12 G13 I105 W108 L121 I122 I123A12-Y87 HydrophobicContact CB-CD2 3.71Å; A12-Y87 HydrophobicContact CB-CE2 4.09Å; A12-Y87 CarbonylContact O-C 3.59Å; A12-Y87 VanDerWaalsContact O-CA 3.3Å; A12-Y87 WeakPolarHBondContact O-CA 3.34Å; G13-Y87 VanDerWaalsContact CA-CZ 3.48Å; Y87-I105 HydrophobicContact CD1-CD1 4.19Å; Y87-I105 HydrophobicContact CD1-CG1 4Å; Y87-I105 HydrophobicContact CD2-CG1 4.49Å; Y87-I105 HydrophobicContact CE1-CD1 3.69Å; Y87-I105 HydrophobicContact CE1-CG1 3.39Å; Y87-I105 HydrophobicContact CE2-CG1 3.95Å; Y87-W108 HydrophobicContact CD2-CB 4.33Å; Y87-W108 AromaticContact CD2-CD2 3.73Å; Y87-W108 HydrophobicContact CD2-CD2 3.73Å; Y87-W108 AromaticContact CD2-CE3 3.87Å; Y87-W108 HydrophobicContact CD2-CE3 3.87Å; Y87-W108 AromaticContact CD2-CG 3.95Å; Y87-W108 HydrophobicContact CD2-CG 3.95Å; Y87-W108 HydrophobicContact CD2-CZ3 4.39Å; Y87-W108 HydrophobicContact CE2-CB 4.32Å; Y87-W108 HydrophobicContact CE2-CG 4.38Å; Y87-W108 HydrophobicContact CG-CD2 4.49Å; Y87-W108 HydrophobicContact CG-CE3 4.29Å; Y87-W108 HydrophobicContact CG-CZ3 4.39Å; Y87-L121 PolarHBondContact N-O 3.38Å; Y87-I122 CarbonylContact O-C 3.48Å; Y87-I122 WeakPolarHBondContact O-CA 3.34Å; Y87-I123 PolarHBondContact O-N 3.01Å
88V91.3Very high81.2Confident0 Ų036.7 Ų36.70%021%0.207CC..EExtended strand (participates in β ladder)trans-105.1128178.7-176.70000109.5A12 G13 D14 L17 L18 F21 I86 I123 V125A12-V88 PolarHBondContact O-N 3.26Å; G13-V88 CarbonylContact C-O 3.58Å; G13-V88 VanDerWaalsContact CA-O 3.26Å; G13-V88 WeakPolarHBondContact CA-O 3.33Å; D14-V88 PolarHBondContact N-O 2.95Å; L17-V88 HydrophobicContact CB-CG1 3.87Å; L17-V88 HydrophobicContact CD1-CG1 4.29Å; L18-V88 HydrophobicContact CD2-CB 3.86Å; L18-V88 HydrophobicContact CD2-CG2 3.62Å; L18-V88 HydrophobicContact CG-CB 4.45Å; F21-V88 HydrophobicContact CD1-CG2 4.3Å; F21-V88 HydrophobicContact CG-CG2 4.28Å; I86-V88 HydrophobicContact CG2-CG2 4.05Å; V88-I123 CarbonylContact C-O 3.58Å; V88-I123 WeakPolarHBondContact CA-O 3.24Å; V88-I123 HydrophobicContact CG2-CB 4.43Å; V88-V125 HydrophobicContact CG1-CG2 4.11Å
89T90.4Very high82.2Confident13 Ų1342.1 Ų42.18%0.0823%0.227CC..EExtended strand (participates in β ladder)trans-136.1157.1-179.3-164.70000110.8I122 I123 M124 V125 V142T89-I122 HydrophobicContact CG2-CG2 4.49Å; T89-I123 PolarHBondContact N-O 3.42Å; T89-M124 HydrophobicContact CG2-CB 4.09Å; T89-M124 HydrophobicContact CG2-CG 4.37Å; T89-M124 CarbonylContact O-C 3.47Å; T89-M124 VanDerWaalsContact O-CA 3.24Å; T89-M124 WeakPolarHBondContact O-CA 3.17Å; T89-V125 PolarHBondContact O-N 3.27Å; T89-V142 HydrophobicContact CG2-CG1 4.45Å
90S86.8Confident83.3Confident24 Ų2441.9 Ų41.917%0.16823%0.232CC..EExtended strand (participates in β ladder)trans-90.8156.2172.351.60000110.7D92 V125S90-D92 PolarHBondContact O-N 3.42Å; S90-V125 WeakPolarHBondContact CA-O 3.49Å
91N85.5Confident84.5Confident28 Ų2834.6 Ų34.615%0.1520%0.202CC..SBendtrans-75.751.2172.7-170.134.7000112.4M124 V125 N126 D128 V142N91-M124 HydrophobicContact CB-CG 3.96Å; N91-M124 HydrophobicContact CB-SD 3.74Å; N91-M124 PolarHBondContact OD1-SD 3.43Å; N91-M124 VanDerWaalsContact OD1-SD 3.37Å; N91-V125 PolarHBondContact N-O 3.08Å; N91-N126 HydrophobicContact CB-CB 4.2Å; N91-N126 PolarHBondContact ND2-ND2 3.17Å; N91-N126 PolarHBondContact ND2-OD1 3.31Å; N91-D128 PolarHBondContact ND2-OD2 2.88Å; N91-D128 VanDerWaalsContact ND2-OD2 3.07Å; N91-V142 PolarHBondContact OD1-N 3.05Å
92D83.4Confident85.3Confident68 Ų6838.7 Ų38.736%0.36422%0.216SC..  trans-107.198.6175.3-174-9.1000110.9S90 S94 H95 Y96S90-D92 PolarHBondContact O-N 3.42Å; D92-S94 PolarHBondContact O-N 3.12Å; D92-S94 WeakPolarHBondContact OD1-CA 3.38Å; D92-S94 WeakPolarHBondContact OD1-CB 3.37Å; D92-S94 PolarHBondContact OD1-N 3.18Å; D92-S94 PolarHBondContact OD1-OG 3.34Å; D92-S94 PolarHBondContact OD2-OG 2.85Å; D92-H95 HydrophobicContact CB-CB 3.86Å; D92-H95 PolarHBondContact O-N 3.39Å; D92-H95 PolarHBondContact OD1-N 3.09Å; D92-H95 WeakPolarHBondContact OD2-CB 3.33Å; D92-Y96 WeakPolarHBondContact O-CB 3.18Å; D92-Y96 PolarHBondContact O-N 2.75Å
93V82.9Confident85.7Confident46 Ų4644.5 Ų44.528%0.27925%0.247SC..Hα-helixtrans-63.1-31.6178.6178.80000112T97 V142 K145V93-T97 WeakPolarHBondContact O-CG2 3.34Å; V93-T97 PolarHBondContact O-N 3.14Å; V93-T97 VanDerWaalsContact O-N 3.13Å; V93-T97 PolarHBondContact O-OG1 3.35Å; V93-V142 HydrophobicContact CG2-CG2 3.92Å; V93-K145 HydrophobicContact CG1-CD 3.98Å; V93-K145 VanDerWaalsContact CG1-CE 3.49Å
94S81.6Confident86.1Confident62 Ų6246 Ų4643%0.43426%0.262SS..Hα-helixtrans-69.9-50.4177.976.40000109.7D92 Y96 T97 S98D92-S94 PolarHBondContact O-N 3.12Å; D92-S94 WeakPolarHBondContact OD1-CA 3.38Å; D92-S94 WeakPolarHBondContact OD1-CB 3.37Å; D92-S94 PolarHBondContact OD1-N 3.18Å; D92-S94 PolarHBondContact OD1-OG 3.34Å; D92-S94 PolarHBondContact OD2-OG 2.85Å; S94-Y96 VanDerWaalsContact C-N 3.31Å; S94-Y96 PolarHBondContact O-N 3.08Å; S94-T97 PolarHBondContact O-N 3.39Å; S94-T97 VanDerWaalsContact O-N 3.15Å; S94-T97 PolarHBondContact O-OG1 3.46Å; S94-S98 PolarHBondContact O-N 3.22Å; S94-S98 PolarHBondContact O-OG 3.18Å
95H82.2Confident86.2Confident83 Ų8345.8 Ų45.838%0.38426%0.261SS..Hα-helixtrans-58-42.6175.7-175.4-92.3000112.6D92 T97 H99 G101D92-H95 HydrophobicContact CB-CB 3.86Å; D92-H95 PolarHBondContact O-N 3.39Å; D92-H95 PolarHBondContact OD1-N 3.09Å; D92-H95 WeakPolarHBondContact OD2-CB 3.33Å; H95-T97 PolarHBondContact O-N 3.26Å; H95-H99 VanDerWaalsContact CD2-CB 3.47Å; H95-H99 WeakPolarHBondContact CD2-CB 3.21Å; H95-H99 WeakPolarHBondContact O-CB 3.11Å; H95-H99 PolarHBondContact O-N 3.4Å; H95-H99 VanDerWaalsContact O-N 3.15Å; H95-G101 PolarHBondContact O-N 3.03Å
96Y85.8Confident86.2Confident4 Ų446.8 Ų46.82%0.01627%0.271CS..Hα-helixtrans-58.6-44.8176.5178.1-101.5000112.7D92 S94 R102 I105 V142 K145 I146 D149D92-Y96 WeakPolarHBondContact O-CB 3.18Å; D92-Y96 PolarHBondContact O-N 2.75Å; S94-Y96 VanDerWaalsContact C-N 3.31Å; S94-Y96 PolarHBondContact O-N 3.08Å; Y96-R102 HydrophobicContact CD2-CB 4.42Å; Y96-R102 HydrophobicContact CE1-CB 4.15Å; Y96-R102 HydrophobicContact CE1-CG 4.39Å; Y96-R102 HydrophobicContact CE2-CB 3.98Å; Y96-R102 HydrophobicContact CE2-CG 4.46Å; Y96-R102 WeakPolarHBondContact O-CB 3.35Å; Y96-R102 PolarHBondContact O-N 2.88Å; Y96-I105 HydrophobicContact CD2-CD1 4.32Å; Y96-I105 HydrophobicContact CE2-CD1 4.12Å; Y96-V142 HydrophobicContact CD2-CG1 3.8Å; Y96-V142 HydrophobicContact CE2-CG1 4.46Å; Y96-V142 HydrophobicContact CG-CG1 3.93Å; Y96-K145 HydrophobicContact CD1-CB 4.15Å; Y96-K145 HydrophobicContact CD1-CD 4.09Å; Y96-K145 HydrophobicContact CE1-CB 3.65Å; Y96-K145 HydrophobicContact CE1-CD 4.25Å; Y96-I146 HydrophobicContact CD2-CG1 4.24Å; Y96-I146 HydrophobicContact CE2-CD1 4.18Å; Y96-I146 HydrophobicContact CE2-CG1 3.43Å; Y96-I146 VanDerWaalsContact CE2-CG1 3.43Å; Y96-D149 VanDerWaalsContact CE1-OD2 3.24Å; Y96-D149 WeakPolarHBondContact CE1-OD2 3.26Å; Y96-D149 VanDerWaalsContact CZ-OD2 3.32Å; Y96-D149 PolarHBondContact OH-OD2 3.17Å
97T84.1Confident86.1Confident81 Ų8149.9 Ų49.950%0.49729%0.292SS..Hα-helixtrans-85.8-42.9-173.852.10000114.2V93 S94 H95 K145V93-T97 WeakPolarHBondContact O-CG2 3.34Å; V93-T97 PolarHBondContact O-N 3.14Å; V93-T97 VanDerWaalsContact O-N 3.13Å; V93-T97 PolarHBondContact O-OG1 3.35Å; S94-T97 PolarHBondContact O-N 3.39Å; S94-T97 VanDerWaalsContact O-N 3.15Å; S94-T97 PolarHBondContact O-OG1 3.46Å; H95-T97 PolarHBondContact O-N 3.26Å; T97-K145 HydrophobicContact CG2-CD 4.37Å
98S81.3Confident86.1Confident82 Ų8249.2 Ų49.257%0.57329%0.29SS*.Hα-helixtrans-103.8-27.1-171.553.70000114.6S94S94-S98 PolarHBondContact O-N 3.22Å; S94-S98 PolarHBondContact O-OG 3.18Å
99H78.5Confident86Confident129 Ų12949.3 Ų49.360%0.59729%0.29SS*.SBendtrans-100.324.8-174.8-60.285.6000113.2H95 G101H95-H99 VanDerWaalsContact CD2-CB 3.47Å; H95-H99 WeakPolarHBondContact CD2-CB 3.21Å; H95-H99 WeakPolarHBondContact O-CB 3.11Å; H95-H99 PolarHBondContact O-N 3.4Å; H95-H99 VanDerWaalsContact O-N 3.15Å; H99-G101 VanDerWaalsContact C-N 3.29Å; H99-G101 PolarHBondContact O-N 3.35Å
100G82.8Confident85.9Confident30 Ų3050.4 Ų50.431%0.30930%0.304SS..SBendtrans775.717500000115.4R102 N103 A104G100-R102 VanDerWaalsContact C-N 3.3Å; G100-R102 PolarHBondContact O-N 3.15Å; G100-N103 WeakPolarHBondContact O-CB 3.49Å; G100-N103 PolarHBondContact O-N 3.38Å; G100-A104 PolarHBondContact O-N 3.07Å
101G85.6Confident85.9Confident7 Ų752.3 Ų52.37%0.07231%0.31CS..Hα-helixtrans-56.6-41.5176.700000113.2H95 H99 N103 A104 I105H95-G101 PolarHBondContact O-N 3.03Å; H99-G101 VanDerWaalsContact C-N 3.29Å; H99-G101 PolarHBondContact O-N 3.35Å; G101-N103 VanDerWaalsContact C-N 3.34Å; G101-N103 PolarHBondContact O-N 3.38Å; G101-A104 PolarHBondContact O-N 3.25Å; G101-I105 PolarHBondContact O-N 3.01Å
102R87.3Confident86Confident116 Ų11651 Ų5144%0.43830%0.303SS..Hα-helixtrans-58.8-43.3172.1-177.5179.1-178.4-174.17.2112.1Y96 G100 G106 D149 F150Y96-R102 HydrophobicContact CD2-CB 4.42Å; Y96-R102 HydrophobicContact CE1-CB 4.15Å; Y96-R102 HydrophobicContact CE1-CG 4.39Å; Y96-R102 HydrophobicContact CE2-CB 3.98Å; Y96-R102 HydrophobicContact CE2-CG 4.46Å; Y96-R102 WeakPolarHBondContact O-CB 3.35Å; Y96-R102 PolarHBondContact O-N 2.88Å; G100-R102 VanDerWaalsContact C-N 3.3Å; G100-R102 PolarHBondContact O-N 3.15Å; R102-G106 PolarHBondContact O-N 3.22Å; R102-D149 IonicContact CZ-OD1 3.48Å; R102-D149 IonicContact CZ-OD2 3.76Å; R102-D149 IonicContact NE-OD1 3.77Å; R102-D149 IonicContact NE-OD2 3.31Å; R102-D149 PolarHBondContact NE-OD2 2.82Å; R102-D149 IonicContact NH2-OD1 3.22Å; R102-D149 PolarHBondContact NH2-OD1 3.48Å; R102-F150 HydrophobicContact CG-CZ 4.15Å; R102-F150 WeakPolarHBondContact O-CZ 3.34Å
103N88.2Confident86Confident123 Ų12353.1 Ų53.166%0.65831%0.306SS*.Hα-helixtrans-68.7-38.3179.9-65.7-14.8000111.5G100 G101 S107G100-N103 WeakPolarHBondContact O-CB 3.49Å; G100-N103 PolarHBondContact O-N 3.38Å; G101-N103 VanDerWaalsContact C-N 3.34Å; G101-N103 PolarHBondContact O-N 3.38Å; N103-S107 WeakPolarHBondContact O-CB 3.43Å; N103-S107 PolarHBondContact O-N 2.62Å
104A88.9Confident85.8Confident45 Ų4554.8 Ų54.837%0.37232%0.324SS..Hα-helixtrans-64.2-49.1177.600000111.9G100 G101 S107 W108G100-A104 PolarHBondContact O-N 3.07Å; G101-A104 PolarHBondContact O-N 3.25Å; A104-S107 PolarHBondContact O-N 3.09Å; A104-W108 WeakPolarHBondContact O-CB 3.42Å; A104-W108 PolarHBondContact O-N 3.44Å
105I90.1Very high85.6Confident0 Ų058.1 Ų58.10%033%0.327CS..Hα-helixtrans-65-42.4177-68.2174.6000110.8Y87 Y96 G101 S107 W108 L109 I146 F150Y87-I105 HydrophobicContact CD1-CD1 4.19Å; Y87-I105 HydrophobicContact CD1-CG1 4Å; Y87-I105 HydrophobicContact CD2-CG1 4.49Å; Y87-I105 HydrophobicContact CE1-CD1 3.69Å; Y87-I105 HydrophobicContact CE1-CG1 3.39Å; Y87-I105 HydrophobicContact CE2-CG1 3.95Å; Y96-I105 HydrophobicContact CD2-CD1 4.32Å; Y96-I105 HydrophobicContact CE2-CD1 4.12Å; G101-I105 PolarHBondContact O-N 3.01Å; I105-S107 VanDerWaalsContact C-N 3.35Å; I105-S107 PolarHBondContact O-N 3.36Å; I105-W108 PolarHBondContact O-N 3.32Å; I105-L109 HydrophobicContact CG2-CD1 3.87Å; I105-L109 HydrophobicContact CG2-CG 4.28Å; I105-L109 WeakPolarHBondContact O-CB 3.34Å; I105-L109 WeakPolarHBondContact O-CG 3.12Å; I105-L109 PolarHBondContact O-N 2.82Å; I105-I146 HydrophobicContact CD1-CD1 3.56Å; I105-I146 HydrophobicContact CD1-CG1 4.1Å; I105-I146 HydrophobicContact CG2-CG2 4.28Å; I105-F150 HydrophobicContact CB-CE2 4.38Å; I105-F150 HydrophobicContact CG2-CD2 4.35Å; I105-F150 HydrophobicContact CG2-CE2 3.85Å; I105-F150 HydrophobicContact CG2-CZ 4.43Å
106G89.1Confident85.2Confident21 Ų2157.4 Ų57.422%0.21633%0.327CS..Hα-helixtrans-62.6-41.117700000112.8R102 G110R102-G106 PolarHBondContact O-N 3.22Å; G106-G110 PolarHBondContact O-N 3.03Å
107S90Very high84.9Confident64 Ų6457.5 Ų57.545%0.44833%0.327SS..Hα-helixtrans-62.2-50.5173179.10000111N103 A104 I105 G110 H111N103-S107 WeakPolarHBondContact O-CB 3.43Å; N103-S107 PolarHBondContact O-N 2.62Å; A104-S107 PolarHBondContact O-N 3.09Å; I105-S107 VanDerWaalsContact C-N 3.35Å; I105-S107 PolarHBondContact O-N 3.36Å; S107-G110 WeakPolarHBondContact O-CA 3.35Å; S107-G110 PolarHBondContact O-N 3.22Å; S107-G110 VanDerWaalsContact O-N 3.14Å; S107-H111 PolarHBondContact O-N 3.3Å; S107-H111 PolarHBondContact O-ND1 2.96Å; S107-H111 PolarHBondContact OG-CE1 2.95Å; S107-H111 VanDerWaalsContact OG-CE1 3.27Å; S107-H111 PolarHBondContact OG-ND1 3.02Å
108W92Very high84.7Confident8 Ų857.7 Ų57.73%0.0332%0.322CS..Hα-helixtrans-59.4-50.5179.2177.578.5000112.3F56 Y87 A104 I105 G110 H111 L112 W120 I122F56-W108 AromaticContact CD1-CD1 3.68Å; F56-W108 AromaticContact CD2-CD1 3.94Å; F56-W108 AromaticContact CD2-NE1 3.65Å; F56-W108 AromaticContact CE1-CD1 3.65Å; F56-W108 AromaticContact CE2-CD1 3.9Å; F56-W108 AromaticContact CE2-NE1 3.84Å; F56-W108 AromaticContact CG-CD1 3.82Å; F56-W108 AromaticContact CG-NE1 3.83Å; F56-W108 AromaticContact CZ-CD1 3.75Å; Y87-W108 HydrophobicContact CD2-CB 4.33Å; Y87-W108 AromaticContact CD2-CD2 3.73Å; Y87-W108 HydrophobicContact CD2-CD2 3.73Å; Y87-W108 AromaticContact CD2-CE3 3.87Å; Y87-W108 HydrophobicContact CD2-CE3 3.87Å; Y87-W108 AromaticContact CD2-CG 3.95Å; Y87-W108 HydrophobicContact CD2-CG 3.95Å; Y87-W108 HydrophobicContact CD2-CZ3 4.39Å; Y87-W108 HydrophobicContact CE2-CB 4.32Å; Y87-W108 HydrophobicContact CE2-CG 4.38Å; Y87-W108 HydrophobicContact CG-CD2 4.49Å; Y87-W108 HydrophobicContact CG-CE3 4.29Å; Y87-W108 HydrophobicContact CG-CZ3 4.39Å; A104-W108 WeakPolarHBondContact O-CB 3.42Å; A104-W108 PolarHBondContact O-N 3.44Å; I105-W108 PolarHBondContact O-N 3.32Å; W108-G110 VanDerWaalsContact C-N 3.27Å; W108-G110 PolarHBondContact O-N 3.08Å; W108-H111 PolarHBondContact O-N 2.89Å; W108-L112 HydrophobicContact CD2-CD1 3.95Å; W108-L112 HydrophobicContact CE3-CD1 4.14Å; W108-L112 HydrophobicContact CH2-CD1 3.81Å; W108-L112 HydrophobicContact CZ2-CD1 3.6Å; W108-L112 HydrophobicContact CZ3-CD1 4.06Å; W108-L112 WeakPolarHBondContact O-CG 3.4Å; W108-L112 PolarHBondContact O-N 2.85Å; W108-L112 VanDerWaalsContact O-N 3.09Å; W108-W120 HydrophobicContact CH2-CB 3.8Å; W108-W120 HydrophobicContact CH2-CE3 4.5Å; W108-W120 HydrophobicContact CH2-CG 4.37Å; W108-W120 HydrophobicContact CZ2-CB 4.4Å; W108-W120 HydrophobicContact CZ3-CE3 4.43Å; W108-I122 HydrophobicContact CH2-CG1 4.45Å; W108-I122 HydrophobicContact CZ3-CD1 4.22Å; W108-I122 HydrophobicContact CZ3-CG1 4.03Å
109L89.4Confident84.7Confident1 Ų155 Ų551%0.00530%0.301CS..Hα-helixtrans-59.9-37.3174.1-74.6175.2000111.9I105 L112 R113 W120 F150I105-L109 HydrophobicContact CG2-CD1 3.87Å; I105-L109 HydrophobicContact CG2-CG 4.28Å; I105-L109 WeakPolarHBondContact O-CB 3.34Å; I105-L109 WeakPolarHBondContact O-CG 3.12Å; I105-L109 PolarHBondContact O-N 2.82Å; L109-L112 PolarHBondContact O-N 3.18Å; L109-R113 WeakPolarHBondContact O-CB 3.21Å; L109-R113 VanDerWaalsContact O-CG 3.23Å; L109-R113 WeakPolarHBondContact O-CG 3.23Å; L109-R113 PolarHBondContact O-N 2.83Å; L109-W120 HydrophobicContact CD2-CD2 4.09Å; L109-W120 HydrophobicContact CD2-CE3 4.37Å; L109-W120 HydrophobicContact CD2-CH2 4.3Å; L109-W120 HydrophobicContact CD2-CZ2 4.02Å; L109-W120 HydrophobicContact CD2-CZ3 4.47Å; L109-F150 HydrophobicContact CD1-CB 4.11Å; L109-F150 HydrophobicContact CD1-CD1 4.39Å; L109-F150 HydrophobicContact CD1-CD2 3.99Å; L109-F150 HydrophobicContact CD1-CG 3.89Å
110G87.7Confident85.2Confident36 Ų3649.7 Ų49.737%0.37128%0.275SS..Hα-helixtrans-60.3-46.6175.100000112.4G106 S107 W108 L112 R113 A114G106-G110 PolarHBondContact O-N 3.03Å; S107-G110 WeakPolarHBondContact O-CA 3.35Å; S107-G110 PolarHBondContact O-N 3.22Å; S107-G110 VanDerWaalsContact O-N 3.14Å; W108-G110 VanDerWaalsContact C-N 3.27Å; W108-G110 PolarHBondContact O-N 3.08Å; G110-L112 PolarHBondContact O-N 3.19Å; G110-R113 PolarHBondContact O-N 3.21Å; G110-A114 VanDerWaalsContact O-CB 3.26Å; G110-A114 WeakPolarHBondContact O-CB 3.28Å; G110-A114 PolarHBondContact O-N 2.87Å
111H87.5Confident85.5Confident65 Ų6548.3 Ų48.330%0.30126%0.261SS..Hα-helixtrans-62.3-41.2176.3-71.195.2000112.3F56 L61 S107 W108F56-H111 HydrophobicContact CZ-CB 4.19Å; L61-H111 HydrophobicContact CD1-CB 3.94Å; S107-H111 PolarHBondContact O-N 3.3Å; S107-H111 PolarHBondContact O-ND1 2.96Å; S107-H111 PolarHBondContact OG-CE1 2.95Å; S107-H111 VanDerWaalsContact OG-CE1 3.27Å; S107-H111 PolarHBondContact OG-ND1 3.02Å; W108-H111 PolarHBondContact O-N 2.89Å
112L86.5Confident85.7Confident0 Ų048 Ų480%026%0.257CS..Hα-helixtrans-66.9-46.6177.1-64.7-177.9000111.9F56 L61 Y85 W108 L109 G110 A114 R115 N116 V117 W120F56-L112 HydrophobicContact CE2-CD2 4.13Å; L61-L112 HydrophobicContact CD1-CD2 4.45Å; L61-L112 HydrophobicContact CD2-CD2 4.01Å; Y85-L112 HydrophobicContact CD1-CD2 3.74Å; Y85-L112 HydrophobicContact CD2-CD2 4.24Å; Y85-L112 HydrophobicContact CE1-CD2 4.04Å; Y85-L112 HydrophobicContact CG-CD2 3.86Å; W108-L112 HydrophobicContact CD2-CD1 3.95Å; W108-L112 HydrophobicContact CE3-CD1 4.14Å; W108-L112 HydrophobicContact CH2-CD1 3.81Å; W108-L112 HydrophobicContact CZ2-CD1 3.6Å; W108-L112 HydrophobicContact CZ3-CD1 4.06Å; W108-L112 WeakPolarHBondContact O-CG 3.4Å; W108-L112 PolarHBondContact O-N 2.85Å; W108-L112 VanDerWaalsContact O-N 3.09Å; L109-L112 PolarHBondContact O-N 3.18Å; G110-L112 PolarHBondContact O-N 3.19Å; L112-A114 PolarHBondContact O-N 3.47Å; L112-R115 CarbonylContact O-C 3.51Å; L112-R115 PolarHBondContact O-N 3.31Å; L112-R115 VanDerWaalsContact O-N 3.12Å; L112-N116 PolarHBondContact O-N 3.05Å; L112-V117 HydrophobicContact CB-CB 4.18Å; L112-V117 HydrophobicContact CD2-CB 4.13Å; L112-V117 HydrophobicContact CD2-CG1 4.04Å; L112-V117 PolarHBondContact O-N 3.37Å; L112-W120 HydrophobicContact CD1-CB 3.87Å; L112-W120 HydrophobicContact CD1-CG 4.1Å
113R83.4Confident85.7Confident113 Ų11342.5 Ų42.543%0.42624%0.237SC..Hα-helixtrans-62.9-40.5177.8-73.4174.5-175.7-1730.5112L109 G110 R115 N116 F150L109-R113 WeakPolarHBondContact O-CB 3.21Å; L109-R113 VanDerWaalsContact O-CG 3.23Å; L109-R113 WeakPolarHBondContact O-CG 3.23Å; L109-R113 PolarHBondContact O-N 2.83Å; G110-R113 PolarHBondContact O-N 3.21Å; R113-R115 PolarHBondContact O-N 3.32Å; R113-N116 PolarHBondContact O-N 3.04Å; R113-F150 PolarHBondContact NH2-O 3.07Å
114A80.5Confident85.7Confident80 Ų8036.6 Ų36.666%0.66121%0.205SC*.THydrogen-bonded Turntrans-59.9-19.1176.500000113.3G110 L112G110-A114 VanDerWaalsContact O-CB 3.26Å; G110-A114 WeakPolarHBondContact O-CB 3.28Å; G110-A114 PolarHBondContact O-N 2.87Å; L112-A114 PolarHBondContact O-N 3.47Å
115R76Confident85.6Confident133 Ų13334.8 Ų34.850%0.50219%0.19SC..THydrogen-bonded Turntrans-114.514.3178.6-62.2-65.9-169.3-178.71.3113L61 P73 L112 R113 V117L61-R115 HydrophobicContact CB-CG 4.2Å; P73-R115 WeakPolarHBondContact CG-O 3.4Å; L112-R115 CarbonylContact O-C 3.51Å; L112-R115 PolarHBondContact O-N 3.31Å; L112-R115 VanDerWaalsContact O-N 3.12Å; R113-R115 PolarHBondContact O-N 3.32Å; R115-V117 HydrophobicContact CB-CG2 4.14Å; R115-V117 PolarHBondContact O-N 3.08Å
116N75.3Confident85.3Confident68 Ų6835.2 Ų35.236%0.36419%0.192SC..THydrogen-bonded Turntrans52.736.2-178.2-69.6-29000113.7G71 L112 R113 F118G71-N116 PolarHBondContact O-ND2 3.1Å; L112-N116 PolarHBondContact O-N 3.05Å; R113-N116 PolarHBondContact O-N 3.04Å; N116-F118 HydrophobicContact CB-CE2 4Å; N116-F118 HydrophobicContact CB-CZ 4.39Å; N116-F118 VanDerWaalsContact O-CD2 3.22Å; N116-F118 WeakPolarHBondContact O-CD2 3.33Å; N116-F118 VanDerWaalsContact O-CE2 3.26Å; N116-F118 WeakPolarHBondContact O-CE2 3.5Å
117V79.2Confident84.6Confident5 Ų537.7 Ų37.73%0.0321%0.206CC..  trans-90.2117.1174.6-179.10000109.6L61 Y85 L112 R115L61-V117 HydrophobicContact CD2-CG2 4.13Å; Y85-V117 HydrophobicContact CD2-CG1 3.62Å; Y85-V117 HydrophobicContact CE2-CG1 3.62Å; L112-V117 HydrophobicContact CB-CB 4.18Å; L112-V117 HydrophobicContact CD2-CB 4.13Å; L112-V117 HydrophobicContact CD2-CG1 4.04Å; L112-V117 PolarHBondContact O-N 3.37Å; R115-V117 HydrophobicContact CB-CG2 4.14Å; R115-V117 PolarHBondContact O-N 3.08Å
118F78.5Confident83.8Confident86 Ų8638.5 Ų38.538%0.37721%0.205SC..  trans-113.3-11.6-177.6-57.6-75.5000114N116 W120 Q158N116-F118 HydrophobicContact CB-CE2 4Å; N116-F118 HydrophobicContact CB-CZ 4.39Å; N116-F118 VanDerWaalsContact O-CD2 3.22Å; N116-F118 WeakPolarHBondContact O-CD2 3.33Å; N116-F118 VanDerWaalsContact O-CE2 3.26Å; N116-F118 WeakPolarHBondContact O-CE2 3.5Å; F118-W120 VanDerWaalsContact C-N 3.31Å; F118-W120 PolarHBondContact O-N 2.77Å; F118-Q158 PolarHBondContact O-NE2 2.97Å
119D83Confident82.4Confident25 Ų2543.4 Ų43.413%0.13424%0.238CC..  trans-8575.3178.9-53.5-73.1000110.1R75 L84 Y85 A191R75-D119 IonicContact CZ-OD2 2.72Å; R75-D119 IonicContact NH1-OD2 3.11Å; R75-D119 PolarHBondContact NH1-OD2 3.18Å; R75-D119 IonicContact NH2-OD2 2.85Å; R75-D119 PolarHBondContact NH2-OD2 2.83Å; L84-D119 HydrophobicContact CD1-CB 4.46Å; Y85-D119 PolarHBondContact N-O 2.67Å; Y85-D119 VanDerWaalsContact N-O 3.16Å; D119-A191 HydrophobicContact CB-CB 4.03Å
120W88.2Confident81.1Confident18 Ų1849.1 Ų49.17%0.06827%0.265CS..EExtended strand (participates in β ladder)trans-131.7154.9177.659.4-101.5000111.9Y85 W108 L109 L112 F118 I122 V152 Q158 F159Y85-W120 CarbonylContact O-C 3.52Å; Y85-W120 WeakPolarHBondContact O-CA 3.32Å; Y85-W120 WeakPolarHBondContact O-CB 3.4Å; W108-W120 HydrophobicContact CH2-CB 3.8Å; W108-W120 HydrophobicContact CH2-CE3 4.5Å; W108-W120 HydrophobicContact CH2-CG 4.37Å; W108-W120 HydrophobicContact CZ2-CB 4.4Å; W108-W120 HydrophobicContact CZ3-CE3 4.43Å; L109-W120 HydrophobicContact CD2-CD2 4.09Å; L109-W120 HydrophobicContact CD2-CE3 4.37Å; L109-W120 HydrophobicContact CD2-CH2 4.3Å; L109-W120 HydrophobicContact CD2-CZ2 4.02Å; L109-W120 HydrophobicContact CD2-CZ3 4.47Å; L112-W120 HydrophobicContact CD1-CB 3.87Å; L112-W120 HydrophobicContact CD1-CG 4.1Å; F118-W120 VanDerWaalsContact C-N 3.31Å; F118-W120 PolarHBondContact O-N 2.77Å; W120-I122 HydrophobicContact CE3-CD1 4.13Å; W120-I122 HydrophobicContact CE3-CG1 3.88Å; W120-I122 HydrophobicContact CH2-CD1 4.4Å; W120-I122 HydrophobicContact CZ3-CD1 3.63Å; W120-I122 HydrophobicContact CZ3-CG1 3.74Å; W120-V152 HydrophobicContact CH2-CG1 3.75Å; W120-V152 HydrophobicContact CH2-CG2 4.26Å; W120-V152 HydrophobicContact CZ2-CG1 4.01Å; W120-Q158 HydrophobicContact CE3-CB 4.28Å; W120-Q158 HydrophobicContact CH2-CB 4.02Å; W120-Q158 HydrophobicContact CH2-CG 4.39Å; W120-Q158 VanDerWaalsContact CH2-OE1 3.26Å; W120-Q158 VanDerWaalsContact CZ2-OE1 3.27Å; W120-Q158 HydrophobicContact CZ3-CB 3.74Å; W120-Q158 HydrophobicContact CZ3-CG 4.32Å; W120-F159 HydrophobicContact CH2-CE1 4.48Å; W120-F159 HydrophobicContact CH2-CE2 4.33Å; W120-F159 AromaticContact CH2-CZ 3.96Å; W120-F159 HydrophobicContact CH2-CZ 3.96Å; W120-F159 HydrophobicContact CZ3-CE1 4.32Å; W120-F159 HydrophobicContact CZ3-CZ 4.21Å
121L88.9Confident80Confident1 Ų150.7 Ų50.71%0.00526%0.26CS..EExtended strand (participates in β ladder)trans-136.4132.7-177.8-175.868.3000109.5Y85 I86 Y87 I123 R157 L160 V184Y85-L121 PolarHBondContact O-N 3.17Å; I86-L121 CarbonylContact C-O 3.57Å; I86-L121 VanDerWaalsContact CA-O 3.27Å; I86-L121 WeakPolarHBondContact CA-O 3.36Å; I86-L121 HydrophobicContact CD1-CD2 4.47Å; I86-L121 HydrophobicContact CG1-CB 4.33Å; Y87-L121 PolarHBondContact N-O 3.38Å; L121-I123 HydrophobicContact CD2-CD1 4.13Å; L121-I123 HydrophobicContact CD2-CG1 4.1Å; L121-I123 HydrophobicContact CG-CG1 4.14Å; L121-R157 VanDerWaalsContact CD1-O 3.32Å; L121-R157 WeakPolarHBondContact CD1-O 3.46Å; L121-L160 HydrophobicContact CD1-CD1 3.84Å; L121-L160 HydrophobicContact CD1-CG 3.97Å; L121-L160 HydrophobicContact CD2-CD1 3.93Å; L121-L160 HydrophobicContact CG-CD1 4.28Å; L121-V184 HydrophobicContact CD2-CG2 4.12Å
122I89.3Confident78.5Confident0 Ų050.7 Ų50.70%026%0.262CS..EExtended strand (participates in β ladder)trans-110123173.8-61.6176.5000108.3Y87 T89 W108 W120 L143 I146 Q158 F159 L160Y87-I122 CarbonylContact O-C 3.48Å; Y87-I122 WeakPolarHBondContact O-CA 3.34Å; T89-I122 HydrophobicContact CG2-CG2 4.49Å; W108-I122 HydrophobicContact CH2-CG1 4.45Å; W108-I122 HydrophobicContact CZ3-CD1 4.22Å; W108-I122 HydrophobicContact CZ3-CG1 4.03Å; W120-I122 HydrophobicContact CE3-CD1 4.13Å; W120-I122 HydrophobicContact CE3-CG1 3.88Å; W120-I122 HydrophobicContact CH2-CD1 4.4Å; W120-I122 HydrophobicContact CZ3-CD1 3.63Å; W120-I122 HydrophobicContact CZ3-CG1 3.74Å; I122-L143 HydrophobicContact CG2-CD2 3.94Å; I122-I146 HydrophobicContact CD1-CG2 4.12Å; I122-I146 HydrophobicContact CG2-CD1 4.41Å; I122-Q158 PolarHBondContact N-O 3.29Å; I122-F159 HydrophobicContact CB-CD1 3.89Å; I122-F159 HydrophobicContact CB-CE1 4.27Å; I122-F159 HydrophobicContact CD1-CD1 4.26Å; I122-F159 HydrophobicContact CD1-CE1 3.73Å; I122-F159 HydrophobicContact CG1-CE1 4.44Å; I122-F159 HydrophobicContact CG2-CD1 4.32Å; I122-F159 CarbonylContact O-C 3.55Å; I122-F159 WeakPolarHBondContact O-CA 3.2Å; I122-L160 PolarHBondContact O-N 3.08Å
123I88.9Confident77Confident0 Ų053.9 Ų53.90%028%0.282CS..EExtended strand (participates in β ladder)trans-112.2122.2-179.8-56.2171.4000108F21 I86 Y87 V88 T89 L121 L160 V162 L180F21-I123 HydrophobicContact CD2-CD1 4.01Å; F21-I123 HydrophobicContact CE2-CD1 3.29Å; F21-I123 HydrophobicContact CZ-CD1 3.7Å; I86-I123 HydrophobicContact CG2-CD1 3.52Å; I86-I123 HydrophobicContact CG2-CG1 4.07Å; Y87-I123 PolarHBondContact O-N 3.01Å; V88-I123 CarbonylContact C-O 3.58Å; V88-I123 WeakPolarHBondContact CA-O 3.24Å; V88-I123 HydrophobicContact CG2-CB 4.43Å; T89-I123 PolarHBondContact N-O 3.42Å; L121-I123 HydrophobicContact CD2-CD1 4.13Å; L121-I123 HydrophobicContact CD2-CG1 4.1Å; L121-I123 HydrophobicContact CG-CG1 4.14Å; I123-L160 CarbonylContact C-O 3.53Å; I123-L160 WeakPolarHBondContact CA-O 3.29Å; I123-V162 HydrophobicContact CG2-CG2 4.37Å; I123-L180 HydrophobicContact CD1-CD1 3.7Å; I123-L180 HydrophobicContact CG1-CD1 3.98Å; I123-L180 HydrophobicContact CG2-CD1 3.97Å
124M88.1Confident75.2Confident0 Ų054.8 Ų54.80%030%0.302CS..EExtended strand (participates in β ladder)trans-102.4123.3172.2178.8176.86400109.7T89 N91 N141 V142 L143 L160 E161 V162T89-M124 HydrophobicContact CG2-CB 4.09Å; T89-M124 HydrophobicContact CG2-CG 4.37Å; T89-M124 CarbonylContact O-C 3.47Å; T89-M124 VanDerWaalsContact O-CA 3.24Å; T89-M124 WeakPolarHBondContact O-CA 3.17Å; N91-M124 HydrophobicContact CB-CG 3.96Å; N91-M124 HydrophobicContact CB-SD 3.74Å; N91-M124 PolarHBondContact OD1-SD 3.43Å; N91-M124 VanDerWaalsContact OD1-SD 3.37Å; M124-N141 HydrophobicContact CE-CB 3.98Å; M124-N141 HydrophobicContact SD-CB 4.34Å; M124-V142 HydrophobicContact SD-CB 3.83Å; M124-L143 HydrophobicContact CB-CD1 3.91Å; M124-L143 HydrophobicContact CB-CD2 3.86Å; M124-L143 HydrophobicContact CB-CG 3.72Å; M124-L143 HydrophobicContact CE-CB 4.2Å; M124-L143 HydrophobicContact CE-CD1 3.52Å; M124-L143 HydrophobicContact CE-CG 3.52Å; M124-L143 HydrophobicContact CG-CG 4.38Å; M124-L143 HydrophobicContact SD-CB 4.49Å; M124-L143 HydrophobicContact SD-CD1 4.37Å; M124-L143 HydrophobicContact SD-CG 3.76Å; M124-L160 PolarHBondContact N-O 3.28Å; M124-E161 HydrophobicContact CE-CB 4Å; M124-E161 VanDerWaalsContact CE-CD 3.41Å; M124-E161 HydrophobicContact CE-CG 3.57Å; M124-E161 WeakPolarHBondContact O-CA 2.96Å; M124-V162 PolarHBondContact O-N 3.43Å
125V85.9Confident73.6Confident7 Ų756.5 Ų56.54%0.04230%0.295CS..EExtended strand (participates in β ladder)trans-92.3115172.6-175.90000108.5L17 V88 T89 S90 N91 V162 A164L17-V125 HydrophobicContact CD1-CB 3.86Å; L17-V125 HydrophobicContact CD1-CG2 3.94Å; L17-V125 HydrophobicContact CD2-CG1 4.37Å; V88-V125 HydrophobicContact CG1-CG2 4.11Å; T89-V125 PolarHBondContact O-N 3.27Å; S90-V125 WeakPolarHBondContact CA-O 3.49Å; N91-V125 PolarHBondContact N-O 3.08Å; V125-V162 CarbonylContact C-O 3.55Å; V125-V162 VanDerWaalsContact CA-O 3.25Å; V125-V162 WeakPolarHBondContact CA-O 3.48Å; V125-A164 HydrophobicContact CG1-CB 3.84Å
126N83.3Confident72.3Confident9 Ų958.3 Ų58.35%0.04831%0.313CS..EExtended strand (participates in β ladder)trans-93109.6-179.1-162.8-14.9000111N91 D128 Y131 E161 V162 P163 A164 S167N91-N126 HydrophobicContact CB-CB 4.2Å; N91-N126 PolarHBondContact ND2-ND2 3.17Å; N91-N126 PolarHBondContact ND2-OD1 3.31Å; N126-D128 VanDerWaalsContact C-N 3.34Å; N126-D128 WeakPolarHBondContact OD1-CB 3.26Å; N126-D128 PolarHBondContact OD1-N 3.26Å; N126-D128 PolarHBondContact OD1-OD2 3.14Å; N126-Y131 HydrophobicContact CB-CD2 3.81Å; N126-Y131 HydrophobicContact CB-CE2 3.98Å; N126-Y131 WeakPolarHBondContact ND2-CD2 3.12Å; N126-E161 HydrophobicContact CB-CG 4.29Å; N126-E161 PolarHBondContact ND2-OE1 3Å; N126-V162 PolarHBondContact N-O 3.46Å; N126-P163 WeakPolarHBondContact O-CA 2.81Å; N126-A164 PolarHBondContact O-N 3.47Å; N126-S167 PolarHBondContact O-OG 3.07Å
127S75.4Confident71.1Confident73 Ų7362.6 Ų62.651%0.5134%0.335SS..  trans-88.2-1.1177.2-560000113.1P129S127-P129 WeakPolarHBondContact O-CD 3.48Å
128D72.3Confident69.9Low81 Ų8170.9 Ų70.943%0.43337%0.373SS..  trans-65.9124.1-178-74.2-37.6000110.6N91 N126 Q130 Y131N91-D128 PolarHBondContact ND2-OD2 2.88Å; N91-D128 VanDerWaalsContact ND2-OD2 3.07Å; N126-D128 VanDerWaalsContact C-N 3.34Å; N126-D128 WeakPolarHBondContact OD1-CB 3.26Å; N126-D128 PolarHBondContact OD1-N 3.26Å; N126-D128 PolarHBondContact OD1-OD2 3.14Å; D128-Q130 PolarHBondContact O-N 2.98Å; D128-Y131 WeakPolarHBondContact O-CB 3.49Å; D128-Y131 PolarHBondContact O-N 2.89Å; D128-Y131 VanDerWaalsContact O-N 3.14Å
129P62.9Low68.9Low111 Ų11176.2 Ų76.272%0.72140%0.396SS*.THydrogen-bonded Turntrans-65.4-11.3178.526.4-33.9000112.8S127S127-P129 WeakPolarHBondContact O-CD 3.48Å
130Q62.9Low68.1Low121 Ų12178 Ų7857%0.56541%0.411SS*.THydrogen-bonded Turntrans-959.6178.8-63.3-171.116.400114.1D128 N132 T133D128-Q130 PolarHBondContact O-N 2.98Å; Q130-N132 PolarHBondContact O-N 2.95Å; Q130-T133 PolarHBondContact O-N 3.13Å; Q130-T133 VanDerWaalsContact O-N 3.11Å; Q130-T133 PolarHBondContact O-OG1 3.27Å; Q130-T133 VanDerWaalsContact O-OG1 3.11Å
131Y63Low67.8Low68 Ų6878.3 Ų78.327%0.26741%0.414SS..THydrogen-bonded Turntrans-45.9-33.3-179.1-173.7-105.8000113.8N126 D128 E161 P163N126-Y131 HydrophobicContact CB-CD2 3.81Å; N126-Y131 HydrophobicContact CB-CE2 3.98Å; N126-Y131 WeakPolarHBondContact ND2-CD2 3.12Å; D128-Y131 WeakPolarHBondContact O-CB 3.49Å; D128-Y131 PolarHBondContact O-N 2.89Å; D128-Y131 VanDerWaalsContact O-N 3.14Å; Y131-E161 HydrophobicContact CE2-CG 3.88Å; Y131-E161 WeakPolarHBondContact CE2-OE1 2.96Å; Y131-P163 HydrophobicContact CD1-CB 4Å; Y131-P163 HydrophobicContact CD1-CG 4.41Å; Y131-P163 HydrophobicContact CE1-CB 4.02Å; Y131-P163 HydrophobicContact CE1-CG 4Å; Y131-P163 HydrophobicContact CG-CB 4.48Å
132N56.5Low67.6Low66 Ų6678.2 Ų78.235%0.35341%0.413SS..THydrogen-bonded Turntrans-90.8-1.9-173.1-66.8-14.4000116.2Q130 P134 L172Q130-N132 PolarHBondContact O-N 2.95Å; N132-P134 WeakPolarHBondContact O-CD 3.49Å; N132-L172 WeakPolarHBondContact ND2-CD1 3.29Å
133T54.7Low67.4Low67 Ų6778.6 Ų78.641%0.41142%0.415SS..  trans-90.1121.1-174.354.50000112.4Q130 K135Q130-T133 PolarHBondContact O-N 3.13Å; Q130-T133 VanDerWaalsContact O-N 3.11Å; Q130-T133 PolarHBondContact O-OG1 3.27Å; Q130-T133 VanDerWaalsContact O-OG1 3.11Å; T133-K135 VanDerWaalsContact C-N 3.32Å; T133-K135 PolarHBondContact O-N 3.11Å; T133-K135 VanDerWaalsContact OG1-CD 3.31Å; T133-K135 WeakPolarHBondContact OG1-CD 3.44Å; T133-K135 WeakPolarHBondContact OG1-CE 3.49Å
134P45.9Very low67.1Low132 Ų13281.7 Ų81.786%0.85743%0.432SS*.  trans-71.188.6173.928.6-32.2000108.9N132N132-P134 WeakPolarHBondContact O-CD 3.49Å
135K48.2Very low67Low116 Ų11684.5 Ų84.550%0.50444%0.444SS..  trans-112.7123.7-176.6-71.5-178.6-178.4172.50110.8T133 L137T133-K135 VanDerWaalsContact C-N 3.32Å; T133-K135 PolarHBondContact O-N 3.11Å; T133-K135 VanDerWaalsContact OG1-CD 3.31Å; T133-K135 WeakPolarHBondContact OG1-CD 3.44Å; T133-K135 WeakPolarHBondContact OG1-CE 3.49Å; K135-L137 PolarHBondContact O-N 2.85Å
136I48.3Very low67.1Low170 Ų17084.2 Ų84.287%0.87244%0.442SS*.SBendtrans-60.1-4.1-172.5-70.4163.7000114.8
137L49.4Very low67.1Low159 Ų15987.3 Ų87.383%0.83246%0.455SS*.  trans-133.790.8171.8-79.9107000110.7K135 K139K135-L137 PolarHBondContact O-N 2.85Å; L137-K139 PolarHBondContact O-N 2.88Å
138Q54Low67.4Low179 Ų17987.9 Ų87.984%0.83646%0.459SS*.PPolyproline II helixtrans-73.1121.7168.6-75.1-176.1-13.400109.5
139K58.2Low68.1Low197 Ų19786.5 Ų86.586%0.85745%0.452SS*.PPolyproline II helixtrans-65138.4162-71.8178.8177.8176.90107.6L137 N141L137-K139 PolarHBondContact O-N 2.88Å; K139-N141 PolarHBondContact O-N 3.17Å
140S66.1Low69.1Low64 Ų6482.9 Ų82.945%0.44843%0.425SS..PPolyproline II helixtrans-50.3124.1176.362.50000110.5
141N81Confident69.6Low23 Ų2383.9 Ų83.912%0.12343%0.434CS..  trans-81.9177.3176.465.223.1000110.9M124 K139 L143 D144 K145 E161M124-N141 HydrophobicContact CE-CB 3.98Å; M124-N141 HydrophobicContact SD-CB 4.34Å; K139-N141 PolarHBondContact O-N 3.17Å; N141-L143 VanDerWaalsContact C-N 3.28Å; N141-L143 PolarHBondContact O-N 3.37Å; N141-L143 WeakPolarHBondContact OD1-CA 3.41Å; N141-L143 WeakPolarHBondContact OD1-CB 3.41Å; N141-L143 PolarHBondContact OD1-N 3.25Å; N141-L143 VanDerWaalsContact OD1-N 3.12Å; N141-D144 PolarHBondContact N-OD2 3.28Å; N141-D144 PolarHBondContact O-N 3.42Å; N141-D144 PolarHBondContact OD1-N 3.18Å; N141-D144 PolarHBondContact OD1-OD2 3.26Å; N141-D144 VanDerWaalsContact OD1-OD2 3.11Å; N141-K145 PolarHBondContact O-N 2.67Å; N141-E161 PolarHBondContact ND2-OE2 2.98Å
142V85.5Confident70.1Confident0 Ų081.5 Ų81.50%043%0.426CS..Hα-helixtrans-62.3-36177.7174.40000111.5T89 N91 V93 Y96 M124 D144 K145 I146T89-V142 HydrophobicContact CG2-CG1 4.45Å; N91-V142 PolarHBondContact OD1-N 3.05Å; V93-V142 HydrophobicContact CG2-CG2 3.92Å; Y96-V142 HydrophobicContact CD2-CG1 3.8Å; Y96-V142 HydrophobicContact CE2-CG1 4.46Å; Y96-V142 HydrophobicContact CG-CG1 3.93Å; M124-V142 HydrophobicContact SD-CB 3.83Å; V142-D144 PolarHBondContact O-N 3.13Å; V142-K145 PolarHBondContact O-N 3.24Å; V142-I146 HydrophobicContact CG1-CD1 3.74Å; V142-I146 HydrophobicContact CG1-CG1 4.26Å; V142-I146 VanDerWaalsContact O-CG1 3.28Å; V142-I146 WeakPolarHBondContact O-CG1 3.35Å; V142-I146 PolarHBondContact O-N 3.22Å
143L85.7Confident70.4Confident7 Ų789.5 Ų89.54%0.03745%0.452CS..Hα-helixtrans-63.3-41.3177.8-67.7179.8000112.8I122 M124 N141 K145 I146 K147 F159 E161I122-L143 HydrophobicContact CG2-CD2 3.94Å; M124-L143 HydrophobicContact CB-CD1 3.91Å; M124-L143 HydrophobicContact CB-CD2 3.86Å; M124-L143 HydrophobicContact CB-CG 3.72Å; M124-L143 HydrophobicContact CE-CB 4.2Å; M124-L143 HydrophobicContact CE-CD1 3.52Å; M124-L143 HydrophobicContact CE-CG 3.52Å; M124-L143 HydrophobicContact CG-CG 4.38Å; M124-L143 HydrophobicContact SD-CB 4.49Å; M124-L143 HydrophobicContact SD-CD1 4.37Å; M124-L143 HydrophobicContact SD-CG 3.76Å; N141-L143 VanDerWaalsContact C-N 3.28Å; N141-L143 PolarHBondContact O-N 3.37Å; N141-L143 WeakPolarHBondContact OD1-CA 3.41Å; N141-L143 WeakPolarHBondContact OD1-CB 3.41Å; N141-L143 PolarHBondContact OD1-N 3.25Å; N141-L143 VanDerWaalsContact OD1-N 3.12Å; L143-K145 VanDerWaalsContact C-N 3.3Å; L143-K145 PolarHBondContact O-N 3.25Å; L143-I146 HydrophobicContact CD2-CD1 4.47Å; L143-I146 PolarHBondContact O-N 3.46Å; L143-K147 VanDerWaalsContact O-CG 3.3Å; L143-K147 WeakPolarHBondContact O-CG 3.26Å; L143-K147 PolarHBondContact O-N 3.33Å; L143-F159 HydrophobicContact CD1-CB 4.32Å; L143-F159 HydrophobicContact CD2-CB 4.29Å; L143-F159 HydrophobicContact CD2-CD1 3.86Å; L143-E161 HydrophobicContact CD1-CB 4.17Å
144D82.3Confident70.2Confident66 Ų6692.7 Ų92.735%0.35347%0.471SS..Hα-helixtrans-63.1-40.7177.6-64-31.4000110.7N141 V142 K147 S148N141-D144 PolarHBondContact N-OD2 3.28Å; N141-D144 PolarHBondContact O-N 3.42Å; N141-D144 PolarHBondContact OD1-N 3.18Å; N141-D144 PolarHBondContact OD1-OD2 3.26Å; N141-D144 VanDerWaalsContact OD1-OD2 3.11Å; V142-D144 PolarHBondContact O-N 3.13Å; D144-K147 PolarHBondContact O-N 3.34Å; D144-S148 WeakPolarHBondContact O-CB 3.34Å; D144-S148 PolarHBondContact O-N 3.22Å
145K86.6Confident70.6Confident59 Ų5988.3 Ų88.326%0.25745%0.45SS..Hα-helixtrans-64.3-44.4173.6-68.3-167.5174.6-162.60112.1V93 Y96 T97 N141 V142 L143 K147 S148 D149V93-K145 HydrophobicContact CG1-CD 3.98Å; V93-K145 VanDerWaalsContact CG1-CE 3.49Å; Y96-K145 HydrophobicContact CD1-CB 4.15Å; Y96-K145 HydrophobicContact CD1-CD 4.09Å; Y96-K145 HydrophobicContact CE1-CB 3.65Å; Y96-K145 HydrophobicContact CE1-CD 4.25Å; T97-K145 HydrophobicContact CG2-CD 4.37Å; N141-K145 PolarHBondContact O-N 2.67Å; V142-K145 PolarHBondContact O-N 3.24Å; L143-K145 VanDerWaalsContact C-N 3.3Å; L143-K145 PolarHBondContact O-N 3.25Å; K145-K147 PolarHBondContact O-N 3.35Å; K145-S148 PolarHBondContact O-N 3.3Å; K145-D149 VanDerWaalsContact O-CB 3.25Å; K145-D149 WeakPolarHBondContact O-CB 3.1Å; K145-D149 PolarHBondContact O-N 3.35Å
146I86Confident70.9Confident0 Ų090.2 Ų90.20%047%0.466CS..Hα-helixtrans-60.9-45.2176.6-67.5163.3000110.9Y96 I105 I122 V142 L143 S148 D149 F150 F159Y96-I146 HydrophobicContact CD2-CG1 4.24Å; Y96-I146 HydrophobicContact CE2-CD1 4.18Å; Y96-I146 HydrophobicContact CE2-CG1 3.43Å; Y96-I146 VanDerWaalsContact CE2-CG1 3.43Å; I105-I146 HydrophobicContact CD1-CD1 3.56Å; I105-I146 HydrophobicContact CD1-CG1 4.1Å; I105-I146 HydrophobicContact CG2-CG2 4.28Å; I122-I146 HydrophobicContact CD1-CG2 4.12Å; I122-I146 HydrophobicContact CG2-CD1 4.41Å; V142-I146 HydrophobicContact CG1-CD1 3.74Å; V142-I146 HydrophobicContact CG1-CG1 4.26Å; V142-I146 VanDerWaalsContact O-CG1 3.28Å; V142-I146 WeakPolarHBondContact O-CG1 3.35Å; V142-I146 PolarHBondContact O-N 3.22Å; L143-I146 HydrophobicContact CD2-CD1 4.47Å; L143-I146 PolarHBondContact O-N 3.46Å; I146-S148 VanDerWaalsContact C-N 3.33Å; I146-S148 PolarHBondContact O-N 3.48Å; I146-D149 PolarHBondContact O-N 3.41Å; I146-F150 HydrophobicContact CG2-CD2 3.89Å; I146-F150 HydrophobicContact CG2-CE2 4.39Å; I146-F150 WeakPolarHBondContact O-CD2 3.05Å; I146-F150 PolarHBondContact O-N 3.05Å; I146-F150 VanDerWaalsContact O-N 3.09Å; I146-F159 HydrophobicContact CG2-CE1 3.79Å; I146-F159 HydrophobicContact CG2-CZ 4.43Å
147K84Confident71.5Confident74 Ų7489.3 Ų89.332%0.32245%0.452SS..Hα-helixtrans-58.7-45.4177.6-73.5170.2-175.2172.90111.3L143 D144 K145 N151 V152 F159L143-K147 VanDerWaalsContact O-CG 3.3Å; L143-K147 WeakPolarHBondContact O-CG 3.26Å; L143-K147 PolarHBondContact O-N 3.33Å; D144-K147 PolarHBondContact O-N 3.34Å; K145-K147 PolarHBondContact O-N 3.35Å; K147-N151 PolarHBondContact O-N 3Å; K147-V152 PolarHBondContact O-N 3.13Å; K147-F159 HydrophobicContact CD-CD2 4.44Å; K147-F159 HydrophobicContact CD-CE2 4.49Å; K147-F159 HydrophobicContact CG-CD2 4.13Å; K147-F159 HydrophobicContact CG-CE1 4.2Å; K147-F159 HydrophobicContact CG-CE2 3.75Å; K147-F159 HydrophobicContact CG-CZ 3.77Å
148S82.8Confident72.8Confident85 Ų8584 Ų8459%0.59442%0.422SS*.Hα-helixtrans-65.9-46.6176.7-178.80000112.5D144 K145 I146 F150D144-S148 WeakPolarHBondContact O-CB 3.34Å; D144-S148 PolarHBondContact O-N 3.22Å; K145-S148 PolarHBondContact O-N 3.3Å; I146-S148 VanDerWaalsContact C-N 3.33Å; I146-S148 PolarHBondContact O-N 3.48Å; S148-F150 PolarHBondContact O-N 3.27Å
149D85.7Confident74.1Confident53 Ų5376.6 Ų76.628%0.28339%0.388SS..Hα-helixtrans-70.3-32.4-172.3-76.9-26.6000112.9Y96 R102 K145 I146Y96-D149 VanDerWaalsContact CE1-OD2 3.24Å; Y96-D149 WeakPolarHBondContact CE1-OD2 3.26Å; Y96-D149 VanDerWaalsContact CZ-OD2 3.32Å; Y96-D149 PolarHBondContact OH-OD2 3.17Å; R102-D149 IonicContact CZ-OD1 3.48Å; R102-D149 IonicContact CZ-OD2 3.76Å; R102-D149 IonicContact NE-OD1 3.77Å; R102-D149 IonicContact NE-OD2 3.31Å; R102-D149 PolarHBondContact NE-OD2 2.82Å; R102-D149 IonicContact NH2-OD1 3.22Å; R102-D149 PolarHBondContact NH2-OD1 3.48Å; K145-D149 VanDerWaalsContact O-CB 3.25Å; K145-D149 WeakPolarHBondContact O-CB 3.1Å; K145-D149 PolarHBondContact O-N 3.35Å; I146-D149 PolarHBondContact O-N 3.41Å
150F83.9Confident75.2Confident35 Ų3568.1 Ų68.115%0.15435%0.352CS..THydrogen-bonded Turntrans-111.19.6-174.1-60.6-69.2000114.4R102 I105 L109 R113 I146 S148 V152R102-F150 HydrophobicContact CG-CZ 4.15Å; R102-F150 WeakPolarHBondContact O-CZ 3.34Å; I105-F150 HydrophobicContact CB-CE2 4.38Å; I105-F150 HydrophobicContact CG2-CD2 4.35Å; I105-F150 HydrophobicContact CG2-CE2 3.85Å; I105-F150 HydrophobicContact CG2-CZ 4.43Å; L109-F150 HydrophobicContact CD1-CB 4.11Å; L109-F150 HydrophobicContact CD1-CD1 4.39Å; L109-F150 HydrophobicContact CD1-CD2 3.99Å; L109-F150 HydrophobicContact CD1-CG 3.89Å; R113-F150 PolarHBondContact NH2-O 3.07Å; I146-F150 HydrophobicContact CG2-CD2 3.89Å; I146-F150 HydrophobicContact CG2-CE2 4.39Å; I146-F150 WeakPolarHBondContact O-CD2 3.05Å; I146-F150 PolarHBondContact O-N 3.05Å; I146-F150 VanDerWaalsContact O-N 3.09Å; S148-F150 PolarHBondContact O-N 3.27Å; F150-V152 HydrophobicContact CB-CG2 4.02Å; F150-V152 PolarHBondContact O-N 3.44Å
151N74.9Confident76Confident141 Ų14168.2 Ų68.275%0.75435%0.345SS*.THydrogen-bonded Turntrans44.446.2-179.4-79.2-21.3000112.6K147 R153K147-N151 PolarHBondContact O-N 3Å; N151-R153 PolarHBondContact O-N 3.17Å
152V71.6Confident76.1Confident18 Ų1867.2 Ų67.211%0.10934%0.34CS..  trans-73.1113-179.6-175.50000108.4W120 K147 F150 T154 F159W120-V152 HydrophobicContact CH2-CG1 3.75Å; W120-V152 HydrophobicContact CH2-CG2 4.26Å; W120-V152 HydrophobicContact CZ2-CG1 4.01Å; K147-V152 PolarHBondContact O-N 3.13Å; F150-V152 HydrophobicContact CB-CG2 4.02Å; F150-V152 PolarHBondContact O-N 3.44Å; V152-T154 PolarHBondContact O-N 2.9Å; V152-F159 HydrophobicContact CB-CE2 4.07Å; V152-F159 HydrophobicContact CB-CZ 3.88Å; V152-F159 HydrophobicContact CG1-CE2 3.73Å; V152-F159 HydrophobicContact CG1-CZ 3.87Å; V152-F159 HydrophobicContact CG2-CZ 3.93Å
153R63.6Low75.9Confident234 Ų23467.2 Ų67.288%0.88334%0.34SS*.  trans-56.6125.7175.6-69.7-176.5179.4-176.9-0.3109.2N151 G155N151-R153 PolarHBondContact O-N 3.17Å; R153-G155 PolarHBondContact O-N 3.38Å
154T51.2Low75.4Confident134 Ų13467.4 Ų67.482%0.82234%0.342SS*.  trans-60.8100.8-175.923.80000111.8V152V152-T154 PolarHBondContact O-N 2.9Å
155G54.7Low74.8Confident40 Ų4066.8 Ų66.841%0.41234%0.342SS..  trans-115.5128146.700000107.6R153 R157R153-G155 PolarHBondContact O-N 3.38Å; G155-R157 PolarHBondContact O-N 3.23Å
156D53.8Low74Confident157 Ų15771.6 Ų71.684%0.8437%0.37SS*.THydrogen-bonded Turntrans-58.4-4.1-173.5-69.9-26.7000115.5
157R60.9Low73.1Confident151 Ų15172.4 Ų72.457%0.5738%0.376SS*.THydrogen-bonded Turntrans-95.4-9.4-167.9-60.9-174.9-176.1-174.93.5115.4L121 G155 K186L121-R157 VanDerWaalsContact CD1-O 3.32Å; L121-R157 WeakPolarHBondContact CD1-O 3.46Å; G155-R157 PolarHBondContact O-N 3.23Å; R157-K186 VanDerWaalsContact CZ-CE 3.41Å
158Q75.8Confident72.4Confident46 Ų4669.8 Ų69.822%0.21537%0.368CS..SBendtrans-98.6-11.7-171.9-71.7-178.1-28.900115.2F118 W120 I122F118-Q158 PolarHBondContact O-NE2 2.97Å; W120-Q158 HydrophobicContact CE3-CB 4.28Å; W120-Q158 HydrophobicContact CH2-CB 4.02Å; W120-Q158 HydrophobicContact CH2-CG 4.39Å; W120-Q158 VanDerWaalsContact CH2-OE1 3.26Å; W120-Q158 VanDerWaalsContact CZ2-OE1 3.27Å; W120-Q158 HydrophobicContact CZ3-CB 3.74Å; W120-Q158 HydrophobicContact CZ3-CG 4.32Å; I122-Q158 PolarHBondContact N-O 3.29Å
159F82.7Confident71.9Confident25 Ų2572.2 Ų72.211%0.1137%0.37CS..EExtended strand (participates in β ladder)trans-127.6126.9-177.4-60-83.9000110.1W120 I122 L143 I146 K147 V152W120-F159 HydrophobicContact CH2-CE1 4.48Å; W120-F159 HydrophobicContact CH2-CE2 4.33Å; W120-F159 AromaticContact CH2-CZ 3.96Å; W120-F159 HydrophobicContact CH2-CZ 3.96Å; W120-F159 HydrophobicContact CZ3-CE1 4.32Å; W120-F159 HydrophobicContact CZ3-CZ 4.21Å; I122-F159 HydrophobicContact CB-CD1 3.89Å; I122-F159 HydrophobicContact CB-CE1 4.27Å; I122-F159 HydrophobicContact CD1-CD1 4.26Å; I122-F159 HydrophobicContact CD1-CE1 3.73Å; I122-F159 HydrophobicContact CG1-CE1 4.44Å; I122-F159 HydrophobicContact CG2-CD1 4.32Å; I122-F159 CarbonylContact O-C 3.55Å; I122-F159 WeakPolarHBondContact O-CA 3.2Å; L143-F159 HydrophobicContact CD1-CB 4.32Å; L143-F159 HydrophobicContact CD2-CB 4.29Å; L143-F159 HydrophobicContact CD2-CD1 3.86Å; I146-F159 HydrophobicContact CG2-CE1 3.79Å; I146-F159 HydrophobicContact CG2-CZ 4.43Å; K147-F159 HydrophobicContact CD-CD2 4.44Å; K147-F159 HydrophobicContact CD-CE2 4.49Å; K147-F159 HydrophobicContact CG-CD2 4.13Å; K147-F159 HydrophobicContact CG-CE1 4.2Å; K147-F159 HydrophobicContact CG-CE2 3.75Å; K147-F159 HydrophobicContact CG-CZ 3.77Å; V152-F159 HydrophobicContact CB-CE2 4.07Å; V152-F159 HydrophobicContact CB-CZ 3.88Å; V152-F159 HydrophobicContact CG1-CE2 3.73Å; V152-F159 HydrophobicContact CG1-CZ 3.87Å; V152-F159 HydrophobicContact CG2-CZ 3.93Å
160L80.2Confident71.5Confident19 Ų1977 Ų7710%0.09939%0.391CS..EExtended strand (participates in β ladder)trans-128.2138-179.8-61178000110.8L121 I122 I123 M124 L180 L183L121-L160 HydrophobicContact CD1-CD1 3.84Å; L121-L160 HydrophobicContact CD1-CG 3.97Å; L121-L160 HydrophobicContact CD2-CD1 3.93Å; L121-L160 HydrophobicContact CG-CD1 4.28Å; I122-L160 PolarHBondContact O-N 3.08Å; I123-L160 CarbonylContact C-O 3.53Å; I123-L160 WeakPolarHBondContact CA-O 3.29Å; M124-L160 PolarHBondContact N-O 3.28Å; L160-L180 HydrophobicContact CB-CD1 4.24Å; L160-L180 HydrophobicContact CD1-CD1 3.6Å; L160-L183 HydrophobicContact CD1-CB 3.78Å; L160-L183 HydrophobicContact CD1-CD1 4.05Å; L160-L183 HydrophobicContact CD2-CB 4.42Å; L160-L183 HydrophobicContact CD2-CD1 3.3Å; L160-L183 HydrophobicContact CD2-CG 4.38Å; L160-L183 HydrophobicContact CG-CD1 4.34Å
161E82.4Confident71.2Confident66 Ų6683.1 Ų83.131%0.30842%0.417SS..EExtended strand (participates in β ladder)trans-110.4133.5172.1-175.7171.9-179.100109.1M124 N126 Y131 N141 L143M124-E161 HydrophobicContact CE-CB 4Å; M124-E161 VanDerWaalsContact CE-CD 3.41Å; M124-E161 HydrophobicContact CE-CG 3.57Å; M124-E161 WeakPolarHBondContact O-CA 2.96Å; N126-E161 HydrophobicContact CB-CG 4.29Å; N126-E161 PolarHBondContact ND2-OE1 3Å; Y131-E161 HydrophobicContact CE2-CG 3.88Å; Y131-E161 WeakPolarHBondContact CE2-OE1 2.96Å; N141-E161 PolarHBondContact ND2-OE2 2.98Å; L143-E161 HydrophobicContact CD1-CB 4.17Å
162V84.2Confident71.1Confident2 Ų279.2 Ų79.21%0.01240%0.396CS..EExtended strand (participates in β ladder)trans-139.3137.8179.5-174.70000110.1I123 M124 V125 N126 W177 L180I123-V162 HydrophobicContact CG2-CG2 4.37Å; M124-V162 PolarHBondContact O-N 3.43Å; V125-V162 CarbonylContact C-O 3.55Å; V125-V162 VanDerWaalsContact CA-O 3.25Å; V125-V162 WeakPolarHBondContact CA-O 3.48Å; N126-V162 PolarHBondContact N-O 3.46Å; V162-W177 HydrophobicContact CB-CE3 4.07Å; V162-W177 HydrophobicContact CB-CH2 3.96Å; V162-W177 HydrophobicContact CB-CZ3 3.68Å; V162-W177 HydrophobicContact CG1-CD2 3.51Å; V162-W177 HydrophobicContact CG1-CE3 3.29Å; V162-W177 HydrophobicContact CG1-CG 4.26Å; V162-W177 HydrophobicContact CG1-CH2 3.65Å; V162-W177 HydrophobicContact CG1-CZ2 3.83Å; V162-W177 HydrophobicContact CG1-CZ3 3.36Å; V162-W177 HydrophobicContact CG2-CE3 3.91Å; V162-W177 HydrophobicContact CG2-CH2 4.26Å; V162-W177 HydrophobicContact CG2-CZ3 3.53Å; V162-L180 HydrophobicContact CG2-CB 4.17Å; V162-L180 HydrophobicContact CG2-CD1 3.87Å; V162-L180 HydrophobicContact CG2-CG 4.5Å
163P80.4Confident71.4Confident0 Ų079.1 Ų79.10%039%0.394CS..EExtended strand (participates in β ladder)trans-62.6147.117226.9-35.4000113.1N126 Y131 A168 F173 S176N126-P163 WeakPolarHBondContact O-CA 2.81Å; Y131-P163 HydrophobicContact CD1-CB 4Å; Y131-P163 HydrophobicContact CD1-CG 4.41Å; Y131-P163 HydrophobicContact CE1-CB 4.02Å; Y131-P163 HydrophobicContact CE1-CG 4Å; Y131-P163 HydrophobicContact CG-CB 4.48Å; P163-A168 HydrophobicContact CB-CB 3.7Å; P163-A168 HydrophobicContact CG-CB 4.21Å; P163-F173 HydrophobicContact CB-CD2 4.39Å; P163-F173 HydrophobicContact CG-CD2 4.05Å; P163-F173 WeakPolarHBondContact O-CE2 3Å; P163-S176 VanDerWaalsContact CD-CB 3.42Å
164A76.3Confident72.2Confident11 Ų1170.2 Ų70.29%0.09136%0.364CS..  trans-67.2157.1167.800000111.5V125 N126 N166 S167V125-A164 HydrophobicContact CG1-CB 3.84Å; N126-A164 PolarHBondContact O-N 3.47Å; A164-N166 PolarHBondContact O-N 2.9Å; A164-S167 PolarHBondContact N-OG 3.32Å; A164-S167 PolarHBondContact O-N 3.01Å; A164-S167 VanDerWaalsContact O-N 3.13Å; A164-S167 PolarHBondContact O-OG 3.43Å
165P68.5Low73.6Confident52 Ų5269.5 Ų69.534%0.33835%0.352SS..THydrogen-bonded Turntrans-53.9-24.9-176.1-26.536.1000115.8Y20 F173Y20-P165 HydrophobicContact CD1-CG 4.24Å; Y20-P165 HydrophobicContact CD2-CG 4.39Å; Y20-P165 HydrophobicContact CE1-CG 3.6Å; Y20-P165 HydrophobicContact CE2-CG 3.76Å; P165-F173 HydrophobicContact CB-CE2 4.2Å; P165-F173 HydrophobicContact CB-CZ 3.95Å; P165-F173 HydrophobicContact CG-CE2 4.25Å; P165-F173 HydrophobicContact CG-CZ 4.09Å
166N70.2Confident74.8Confident161 Ų16168.5 Ų68.586%0.86134%0.338SS*.THydrogen-bonded Turntrans-119.24.2-173.4-56.3-18.4000113A164A164-N166 PolarHBondContact O-N 2.9Å
167S67.9Low76.2Confident17 Ų1761.3 Ų61.312%0.11930%0.299CS..THydrogen-bonded Turntrans-96.6-14.8-175.3640000114.3N126 A164N126-S167 PolarHBondContact O-OG 3.07Å; A164-S167 PolarHBondContact N-OG 3.32Å; A164-S167 PolarHBondContact O-N 3.01Å; A164-S167 VanDerWaalsContact O-N 3.13Å; A164-S167 PolarHBondContact O-OG 3.43Å
168A69.3Low77.2Confident19 Ų1958 Ų5816%0.15729%0.293CS..SBendtrans-132.8161.4-176.500000111.8P163P163-A168 HydrophobicContact CB-CB 3.7Å; P163-A168 HydrophobicContact CG-CB 4.21Å
169E72.7Confident77.5Confident136 Ų13661.7 Ų61.764%0.63631%0.31SS*.  trans-58.1140.9170.3-66.2-178.2-178.200111K171 L172 F173E169-K171 PolarHBondContact O-N 3.29Å; E169-L172 PolarHBondContact O-N 3.12Å; E169-F173 WeakPolarHBondContact O-CB 3.4Å; E169-F173 PolarHBondContact O-N 2.99Å
170E77.2Confident77.6Confident153 Ų15360.7 Ų60.772%0.71531%0.306SS*.Hα-helixtrans-52.4-36.5-173.6-175.7179.3-177.800113.4N174E170-N174 WeakPolarHBondContact O-CB 2.88Å; E170-N174 VanDerWaalsContact O-CG 3.3Å; E170-N174 PolarHBondContact O-N 2.99Å; E170-N174 PolarHBondContact O-ND2 3.47Å
171K75.8Confident77.8Confident163 Ų16360 Ų6071%0.70930%0.302SS*.Hα-helixtrans-63.7-53.9177.1-70.5-175.2178.9179.30112.1E169 F173 N174 E175E169-K171 PolarHBondContact O-N 3.29Å; K171-F173 VanDerWaalsContact C-N 3.3Å; K171-F173 PolarHBondContact O-N 3.15Å; K171-N174 PolarHBondContact O-N 3.29Å; K171-E175 WeakPolarHBondContact O-CG 3.3Å; K171-E175 PolarHBondContact O-N 3.26Å
172L72.9Confident77.8Confident59 Ų5963 Ų6331%0.30931%0.312SS..Hα-helixtrans-65.2-36.9-179.7-72.1169000111.9N132 E169 E175 S176N132-L172 WeakPolarHBondContact ND2-CD1 3.29Å; E169-L172 PolarHBondContact O-N 3.12Å; L172-E175 PolarHBondContact O-N 3.26Å; L172-S176 WeakPolarHBondContact O-CB 3.43Å; L172-S176 PolarHBondContact O-N 3.48Å; L172-S176 PolarHBondContact O-OG 3.41Å
173F78.2Confident77.7Confident16 Ų1664.3 Ų64.37%0.0732%0.319CS..Hα-helixtrans-59.3-50.2172.8176.1-102.9000111.8Y20 P163 P165 E169 K171 S176 W177Y20-F173 VanDerWaalsContact OH-CZ 3.29Å; Y20-F173 WeakPolarHBondContact OH-CZ 3.42Å; P163-F173 HydrophobicContact CB-CD2 4.39Å; P163-F173 HydrophobicContact CG-CD2 4.05Å; P163-F173 WeakPolarHBondContact O-CE2 3Å; P165-F173 HydrophobicContact CB-CE2 4.2Å; P165-F173 HydrophobicContact CB-CZ 3.95Å; P165-F173 HydrophobicContact CG-CE2 4.25Å; P165-F173 HydrophobicContact CG-CZ 4.09Å; E169-F173 WeakPolarHBondContact O-CB 3.4Å; E169-F173 PolarHBondContact O-N 2.99Å; K171-F173 VanDerWaalsContact C-N 3.3Å; K171-F173 PolarHBondContact O-N 3.15Å; F173-S176 PolarHBondContact O-N 3.09Å; F173-W177 AromaticContact CE1-CD1 3.55Å; F173-W177 AromaticContact CE1-NE1 3.91Å; F173-W177 AromaticContact CE2-CD1 3.46Å; F173-W177 VanDerWaalsContact CE2-CD1 3.46Å; F173-W177 AromaticContact CE2-NE1 3.21Å; F173-W177 AromaticContact CZ-CD1 3.11Å; F173-W177 HydrophobicContact CZ-CG 4.4Å; F173-W177 AromaticContact CZ-NE1 3.01Å; F173-W177 PolarHBondContact O-N 3.31Å
174N81.8Confident78Confident47 Ų4764.3 Ų64.325%0.25132%0.319SS..Hα-helixtrans-65.4-40.6178.2-78.2-41.5000112.3R24 E170 K171 W177 N178R24-N174 PolarHBondContact NH2-OD1 2.9Å; R24-N174 VanDerWaalsContact NH2-OD1 3.16Å; E170-N174 WeakPolarHBondContact O-CB 2.88Å; E170-N174 VanDerWaalsContact O-CG 3.3Å; E170-N174 PolarHBondContact O-N 2.99Å; E170-N174 PolarHBondContact O-ND2 3.47Å; K171-N174 PolarHBondContact O-N 3.29Å; N174-W177 PolarHBondContact O-N 3.39Å; N174-N178 WeakPolarHBondContact O-CB 3.31Å; N174-N178 PolarHBondContact O-N 3.08Å; N174-N178 PolarHBondContact O-ND2 3.44Å; N174-N178 VanDerWaalsContact O-ND2 3.11Å
175E79.8Confident78.5Confident120 Ų12064 Ų6456%0.56132%0.315SS*.Hα-helixtrans-60.2-47.3175-75.9174.9-177.600111.9K171 L172 W177 N178 Q179K171-E175 WeakPolarHBondContact O-CG 3.3Å; K171-E175 PolarHBondContact O-N 3.26Å; L172-E175 PolarHBondContact O-N 3.26Å; E175-W177 PolarHBondContact O-N 3.41Å; E175-N178 PolarHBondContact O-N 3.13Å; E175-Q179 WeakPolarHBondContact O-CB 3.24Å; E175-Q179 PolarHBondContact O-N 3.04Å
176S79.2Confident79.2Confident19 Ų1964.8 Ų64.813%0.13331%0.313CS..Hα-helixtrans-63.3-40.1178.4-56.60000111.9P163 L172 F173 Q179 L180P163-S176 VanDerWaalsContact CD-CB 3.42Å; L172-S176 WeakPolarHBondContact O-CB 3.43Å; L172-S176 PolarHBondContact O-N 3.48Å; L172-S176 PolarHBondContact O-OG 3.41Å; F173-S176 PolarHBondContact O-N 3.09Å; S176-Q179 WeakPolarHBondContact O-CB 3.23Å; S176-Q179 PolarHBondContact O-N 3.04Å; S176-L180 PolarHBondContact O-N 3.42Å
177W83.7Confident79.9Confident5 Ų558 Ų582%0.01928%0.279CS..Hα-helixtrans-72.3-31.9175.6-91.3148.6000114.2Y20 V162 F173 N174 E175 Q179 L180 T181Y20-W177 HydrophobicContact CD1-CZ2 4.35Å; Y20-W177 AromaticContact CE1-CZ2 3.92Å; Y20-W177 HydrophobicContact CE1-CZ2 3.92Å; Y20-W177 AromaticContact CE1-NE1 3.7Å; V162-W177 HydrophobicContact CB-CE3 4.07Å; V162-W177 HydrophobicContact CB-CH2 3.96Å; V162-W177 HydrophobicContact CB-CZ3 3.68Å; V162-W177 HydrophobicContact CG1-CD2 3.51Å; V162-W177 HydrophobicContact CG1-CE3 3.29Å; V162-W177 HydrophobicContact CG1-CG 4.26Å; V162-W177 HydrophobicContact CG1-CH2 3.65Å; V162-W177 HydrophobicContact CG1-CZ2 3.83Å; V162-W177 HydrophobicContact CG1-CZ3 3.36Å; V162-W177 HydrophobicContact CG2-CE3 3.91Å; V162-W177 HydrophobicContact CG2-CH2 4.26Å; V162-W177 HydrophobicContact CG2-CZ3 3.53Å; F173-W177 AromaticContact CE1-CD1 3.55Å; F173-W177 AromaticContact CE1-NE1 3.91Å; F173-W177 AromaticContact CE2-CD1 3.46Å; F173-W177 VanDerWaalsContact CE2-CD1 3.46Å; F173-W177 AromaticContact CE2-NE1 3.21Å; F173-W177 AromaticContact CZ-CD1 3.11Å; F173-W177 HydrophobicContact CZ-CG 4.4Å; F173-W177 AromaticContact CZ-NE1 3.01Å; F173-W177 PolarHBondContact O-N 3.31Å; N174-W177 PolarHBondContact O-N 3.39Å; E175-W177 PolarHBondContact O-N 3.41Å; W177-Q179 VanDerWaalsContact C-N 3.32Å; W177-L180 HydrophobicContact CD2-CD2 4.48Å; W177-L180 HydrophobicContact CE3-CB 3.53Å; W177-L180 HydrophobicContact CE3-CD1 4.41Å; W177-L180 HydrophobicContact CE3-CD2 3.26Å; W177-L180 HydrophobicContact CE3-CG 3.8Å; W177-L180 HydrophobicContact CH2-CD2 4.24Å; W177-L180 HydrophobicContact CZ3-CB 3.95Å; W177-L180 HydrophobicContact CZ3-CD1 3.94Å; W177-L180 HydrophobicContact CZ3-CD2 3.11Å; W177-L180 HydrophobicContact CZ3-CG 3.74Å; W177-L180 PolarHBondContact O-N 3.36Å; W177-T181 WeakPolarHBondContact O-CB 3.4Å; W177-T181 PolarHBondContact O-N 2.91Å; W177-T181 PolarHBondContact O-OG1 3.26Å
178N82.7Confident80.8Confident81 Ų8157.2 Ų57.243%0.43327%0.273SS..Hα-helixtrans-65.3-40.9171.4-72.9-27000110.3N174 E175 T181 Y182N174-N178 WeakPolarHBondContact O-CB 3.31Å; N174-N178 PolarHBondContact O-N 3.08Å; N174-N178 PolarHBondContact O-ND2 3.44Å; N174-N178 VanDerWaalsContact O-ND2 3.11Å; E175-N178 PolarHBondContact O-N 3.13Å; N178-T181 PolarHBondContact O-N 3.49Å; N178-Y182 WeakPolarHBondContact O-CB 3.3Å; N178-Y182 PolarHBondContact O-N 2.92Å
179Q81.5Confident81.6Confident124 Ų12457.2 Ų57.258%0.57927%0.27SS*.Hα-helixtrans-63.6-44.5173.7-175.9177.53.600112E175 S176 W177 T181 Y182 L183E175-Q179 WeakPolarHBondContact O-CB 3.24Å; E175-Q179 PolarHBondContact O-N 3.04Å; S176-Q179 WeakPolarHBondContact O-CB 3.23Å; S176-Q179 PolarHBondContact O-N 3.04Å; W177-Q179 VanDerWaalsContact C-N 3.32Å; Q179-T181 PolarHBondContact O-N 3.13Å; Q179-Y182 WeakPolarHBondContact O-CB 3.41Å; Q179-Y182 PolarHBondContact O-N 2.94Å; Q179-L183 HydrophobicContact CG-CD1 3.92Å; Q179-L183 VanDerWaalsContact O-CG 3.27Å; Q179-L183 WeakPolarHBondContact O-CG 3.38Å; Q179-L183 PolarHBondContact O-N 2.98Å
180L84Confident82.1Confident5 Ų553.5 Ų53.53%0.02626%0.259CS..Hα-helixtrans-56.9-52172.4-179.992.2000110.4F21 I123 L160 V162 S176 W177 Y182 L183 V184F21-L180 HydrophobicContact CD2-CD2 3.98Å; F21-L180 HydrophobicContact CE2-CD2 3.55Å; I123-L180 HydrophobicContact CD1-CD1 3.7Å; I123-L180 HydrophobicContact CG1-CD1 3.98Å; I123-L180 HydrophobicContact CG2-CD1 3.97Å; L160-L180 HydrophobicContact CB-CD1 4.24Å; L160-L180 HydrophobicContact CD1-CD1 3.6Å; V162-L180 HydrophobicContact CG2-CB 4.17Å; V162-L180 HydrophobicContact CG2-CD1 3.87Å; V162-L180 HydrophobicContact CG2-CG 4.5Å; S176-L180 PolarHBondContact O-N 3.42Å; W177-L180 HydrophobicContact CD2-CD2 4.48Å; W177-L180 HydrophobicContact CE3-CB 3.53Å; W177-L180 HydrophobicContact CE3-CD1 4.41Å; W177-L180 HydrophobicContact CE3-CD2 3.26Å; W177-L180 HydrophobicContact CE3-CG 3.8Å; W177-L180 HydrophobicContact CH2-CD2 4.24Å; W177-L180 HydrophobicContact CZ3-CB 3.95Å; W177-L180 HydrophobicContact CZ3-CD1 3.94Å; W177-L180 HydrophobicContact CZ3-CD2 3.11Å; W177-L180 HydrophobicContact CZ3-CG 3.74Å; W177-L180 PolarHBondContact O-N 3.36Å; L180-Y182 PolarHBondContact O-N 2.95Å; L180-L183 CarbonylContact O-C 3.51Å; L180-L183 WeakPolarHBondContact O-CA 3.32Å; L180-L183 PolarHBondContact O-N 3.45Å; L180-V184 HydrophobicContact CD1-CG2 4.46Å; L180-V184 HydrophobicContact CD2-CG2 4.23Å; L180-V184 HydrophobicContact CG-CG2 4.04Å; L180-V184 WeakPolarHBondContact O-CG2 3.39Å; L180-V184 PolarHBondContact O-N 3.24Å
181T84.6Confident82.5Confident3 Ų346.2 Ų46.22%0.01823%0.225CC..Hα-helixtrans-56.3-44.5-177.1-56.20000109.6T28 L29 W177 N178 Q179 L183 V184 R185T28-T181 VanDerWaalsContact OG1-CG2 3.27Å; T28-T181 WeakPolarHBondContact OG1-CG2 3.43Å; T28-T181 PolarHBondContact OG1-OG1 2.92Å; T28-T181 VanDerWaalsContact OG1-OG1 3.07Å; L29-T181 HydrophobicContact CD2-CG2 4.36Å; W177-T181 WeakPolarHBondContact O-CB 3.4Å; W177-T181 PolarHBondContact O-N 2.91Å; W177-T181 PolarHBondContact O-OG1 3.26Å; N178-T181 PolarHBondContact O-N 3.49Å; Q179-T181 PolarHBondContact O-N 3.13Å; T181-L183 VanDerWaalsContact C-N 3.34Å; T181-L183 PolarHBondContact O-N 3.19Å; T181-V184 PolarHBondContact O-N 2.84Å; T181-R185 WeakPolarHBondContact O-CB 3.49Å; T181-R185 VanDerWaalsContact O-CG 3.26Å; T181-R185 WeakPolarHBondContact O-CG 3.25Å; T181-R185 PolarHBondContact O-N 3.06Å
182Y83.3Confident82.9Confident129 Ų12938.4 Ų38.451%0.50619%0.191SC..Hα-helixtrans-57.8-42.5173.4171.8-104.6000113.1N178 Q179 L180 R185 K186N178-Y182 WeakPolarHBondContact O-CB 3.3Å; N178-Y182 PolarHBondContact O-N 2.92Å; Q179-Y182 WeakPolarHBondContact O-CB 3.41Å; Q179-Y182 PolarHBondContact O-N 2.94Å; L180-Y182 PolarHBondContact O-N 2.95Å; Y182-R185 WeakPolarHBondContact O-CB 3.14Å; Y182-R185 PolarHBondContact O-N 3.29Å; Y182-K186 WeakPolarHBondContact O-CB 3.44Å; Y182-K186 PolarHBondContact O-N 3.2Å
183L82.8Confident83.5Confident31 Ų3137.6 Ų37.616%0.16219%0.186CC..Hα-helixtrans-73.4-35.4-179.7-68.2168000113L160 Q179 L180 T181 K186 S187L160-L183 HydrophobicContact CD1-CB 3.78Å; L160-L183 HydrophobicContact CD1-CD1 4.05Å; L160-L183 HydrophobicContact CD2-CB 4.42Å; L160-L183 HydrophobicContact CD2-CD1 3.3Å; L160-L183 HydrophobicContact CD2-CG 4.38Å; L160-L183 HydrophobicContact CG-CD1 4.34Å; Q179-L183 HydrophobicContact CG-CD1 3.92Å; Q179-L183 VanDerWaalsContact O-CG 3.27Å; Q179-L183 WeakPolarHBondContact O-CG 3.38Å; Q179-L183 PolarHBondContact O-N 2.98Å; L180-L183 CarbonylContact O-C 3.51Å; L180-L183 WeakPolarHBondContact O-CA 3.32Å; L180-L183 PolarHBondContact O-N 3.45Å; T181-L183 VanDerWaalsContact C-N 3.34Å; T181-L183 PolarHBondContact O-N 3.19Å; L183-K186 HydrophobicContact CD2-CD 4.44Å; L183-K186 PolarHBondContact O-N 3.36Å; L183-S187 WeakPolarHBondContact O-CB 3.43Å; L183-S187 PolarHBondContact O-N 3.18Å; L183-S187 PolarHBondContact O-OG 2.93Å
184V86.5Confident83.6Confident0 Ų037.9 Ų37.90%019%0.19CC..Hα-helixtrans-63-47.3170.8174.60000109.5L29 L121 L180 T181 K186 S187 I188L29-V184 HydrophobicContact CD2-CB 4.41Å; L29-V184 HydrophobicContact CD2-CG1 3.9Å; L121-V184 HydrophobicContact CD2-CG2 4.12Å; L180-V184 HydrophobicContact CD1-CG2 4.46Å; L180-V184 HydrophobicContact CD2-CG2 4.23Å; L180-V184 HydrophobicContact CG-CG2 4.04Å; L180-V184 WeakPolarHBondContact O-CG2 3.39Å; L180-V184 PolarHBondContact O-N 3.24Å; T181-V184 PolarHBondContact O-N 2.84Å; V184-K186 VanDerWaalsContact C-N 3.33Å; V184-K186 PolarHBondContact O-N 3.39Å; V184-S187 PolarHBondContact O-N 3.46Å; V184-S187 VanDerWaalsContact O-N 3.11Å; V184-I188 HydrophobicContact CG1-CD1 3.99Å; V184-I188 HydrophobicContact CG1-CG1 4.47Å; V184-I188 WeakPolarHBondContact O-CG1 3.44Å; V184-I188 PolarHBondContact O-N 3.44Å
185R86.4Confident83.7Confident5 Ų536 Ų362%0.01918%0.18CC..Hα-helixtrans-55.7-47.4174-73-167.6-154.3120.1-7.8111.8T28 L29 S31 V34 L49 T181 Y182 S187 I188 I189T28-R185 PolarHBondContact O-NH2 3.03Å; L29-R185 HydrophobicContact CD2-CG 3.71Å; L29-R185 PolarHBondContact O-NE 3.44Å; S31-R185 PolarHBondContact OG-NH2 3.18Å; V34-R185 HydrophobicContact CG2-CB 3.71Å; V34-R185 HydrophobicContact CG2-CG 3.91Å; L49-R185 HydrophobicContact CD1-CB 3.83Å; L49-R185 HydrophobicContact CD1-CG 3.93Å; T181-R185 WeakPolarHBondContact O-CB 3.49Å; T181-R185 VanDerWaalsContact O-CG 3.26Å; T181-R185 WeakPolarHBondContact O-CG 3.25Å; T181-R185 PolarHBondContact O-N 3.06Å; Y182-R185 WeakPolarHBondContact O-CB 3.14Å; Y182-R185 PolarHBondContact O-N 3.29Å; R185-S187 VanDerWaalsContact C-N 3.3Å; R185-S187 PolarHBondContact O-N 3.42Å; R185-I188 PolarHBondContact O-N 2.79Å; R185-I189 WeakPolarHBondContact O-CG1 3.48Å; R185-I189 PolarHBondContact O-N 3.43Å
186K83.8Confident84Confident67 Ų6730.2 Ų30.229%0.29115%0.153SC..Hα-helixtrans-61.9-36.8176.7-173.1176.9-179.1176.90112.6R157 Y182 L183 V184 S190R157-K186 VanDerWaalsContact CZ-CE 3.41Å; Y182-K186 WeakPolarHBondContact O-CB 3.44Å; Y182-K186 PolarHBondContact O-N 3.2Å; L183-K186 HydrophobicContact CD2-CD 4.44Å; L183-K186 PolarHBondContact O-N 3.36Å; V184-K186 VanDerWaalsContact C-N 3.33Å; V184-K186 PolarHBondContact O-N 3.39Å; K186-S190 WeakPolarHBondContact O-CB 3.34Å; K186-S190 PolarHBondContact O-N 3.26Å
187S84.1Confident84.3Confident20 Ų2032.6 Ų32.614%0.1417%0.166CC..Hα-helixtrans-71-41.1178.7-57.90000111.8L183 V184 R185 S190 A191L183-S187 WeakPolarHBondContact O-CB 3.43Å; L183-S187 PolarHBondContact O-N 3.18Å; L183-S187 PolarHBondContact O-OG 2.93Å; V184-S187 PolarHBondContact O-N 3.46Å; V184-S187 VanDerWaalsContact O-N 3.11Å; R185-S187 VanDerWaalsContact C-N 3.3Å; R185-S187 PolarHBondContact O-N 3.42Å; S187-S190 PolarHBondContact O-N 2.95Å; S187-A191 WeakPolarHBondContact O-CB 3.15Å; S187-A191 PolarHBondContact O-N 3.47Å
188I86.7Confident84.3Confident0 Ų032.9 Ų32.90%017%0.169CC..Hα-helixtrans-57.7-51.7172.6-68166.1000109.9P7 I9 L29 L49 L83 L84 V184 R185 S190 A191 C192 F233P7-I188 HydrophobicContact CG-CG2 4.39Å; I9-I188 HydrophobicContact CD1-CD1 3.85Å; I9-I188 HydrophobicContact CD1-CG1 4.21Å; L29-I188 HydrophobicContact CD2-CD1 4.26Å; L49-I188 HydrophobicContact CD1-CB 4.37Å; L49-I188 HydrophobicContact CD1-CG2 4.25Å; L49-I188 HydrophobicContact CD2-CG2 4.41Å; L83-I188 HydrophobicContact CD2-CG2 3.91Å; L84-I188 HydrophobicContact CD2-CG1 4.11Å; V184-I188 HydrophobicContact CG1-CD1 3.99Å; V184-I188 HydrophobicContact CG1-CG1 4.47Å; V184-I188 WeakPolarHBondContact O-CG1 3.44Å; V184-I188 PolarHBondContact O-N 3.44Å; R185-I188 PolarHBondContact O-N 2.79Å; I188-S190 VanDerWaalsContact C-N 3.32Å; I188-S190 PolarHBondContact O-N 3.25Å; I188-A191 PolarHBondContact O-N 3.47Å; I188-C192 PolarHBondContact O-N 3.01Å; I188-C192 PolarHBondContact O-SG 3.3Å; I188-C192 VanDerWaalsContact O-SG 3.33Å; I188-F233 HydrophobicContact CG2-CE1 4.43Å; I188-F233 HydrophobicContact CG2-CZ 4.35Å
189I86Confident84.5Confident19 Ų1929 Ų2910%0.09715%0.148CC..Hα-helixtrans-60-43.2177.5-64.7-59.6000111.1V34 W36 L49 R185 A191 C192 M193 L234V34-I189 HydrophobicContact CG1-CG1 3.9Å; W36-I189 HydrophobicContact CB-CD1 4.2Å; W36-I189 HydrophobicContact CB-CG2 3.75Å; L49-I189 HydrophobicContact CD1-CD1 4.18Å; L49-I189 HydrophobicContact CD1-CG1 4.14Å; L49-I189 HydrophobicContact CD2-CD1 3.93Å; R185-I189 WeakPolarHBondContact O-CG1 3.48Å; R185-I189 PolarHBondContact O-N 3.43Å; I189-A191 VanDerWaalsContact C-N 3.32Å; I189-A191 PolarHBondContact O-N 2.86Å; I189-C192 PolarHBondContact O-N 3.11Å; I189-M193 HydrophobicContact CG2-CG 4.2Å; I189-M193 WeakPolarHBondContact O-CB 3.49Å; I189-M193 WeakPolarHBondContact O-CG 3.45Å; I189-M193 PolarHBondContact O-N 3.12Å; I189-L234 HydrophobicContact CD1-CD2 3.65Å
190S84.2Confident84.7Confident57 Ų5724.7 Ų24.740%0.39913%0.129SC..Hα-helixtrans-60.2-41.4177.7-168.50000112.3K186 S187 I188 M193 S194K186-S190 WeakPolarHBondContact O-CB 3.34Å; K186-S190 PolarHBondContact O-N 3.26Å; S187-S190 PolarHBondContact O-N 2.95Å; I188-S190 VanDerWaalsContact C-N 3.32Å; I188-S190 PolarHBondContact O-N 3.25Å; S190-M193 PolarHBondContact O-N 3.31Å; S190-S194 PolarHBondContact O-N 3.18Å
191A83.8Confident84.8Confident0 Ų027.5 Ų27.50%015%0.146CC..Hα-helixtrans-66.5-45.7177.200000111.2L83 D119 S187 I188 I189 M193 S194 I195L83-A191 HydrophobicContact CD1-CB 3.87Å; L83-A191 HydrophobicContact CD2-CB 4.44Å; L83-A191 HydrophobicContact CG-CB 3.87Å; D119-A191 HydrophobicContact CB-CB 4.03Å; S187-A191 WeakPolarHBondContact O-CB 3.15Å; S187-A191 PolarHBondContact O-N 3.47Å; I188-A191 PolarHBondContact O-N 3.47Å; I189-A191 VanDerWaalsContact C-N 3.32Å; I189-A191 PolarHBondContact O-N 2.86Å; A191-M193 VanDerWaalsContact C-N 3.29Å; A191-M193 PolarHBondContact O-N 3.03Å; A191-S194 PolarHBondContact O-N 3.48Å; A191-I195 WeakPolarHBondContact O-CG1 3.47Å; A191-I195 PolarHBondContact O-N 3.43Å
192C85.4Confident84.8Confident0 Ų028 Ų280%015%0.148CC..Hα-helixtrans-56.6-44174.2-68.70000111.9L83 I188 I189 S194 I195 I196 M230 L234L83-C192 VanDerWaalsContact CD2-SG 3.5Å; I188-C192 PolarHBondContact O-N 3.01Å; I188-C192 PolarHBondContact O-SG 3.3Å; I188-C192 VanDerWaalsContact O-SG 3.33Å; I189-C192 PolarHBondContact O-N 3.11Å; C192-S194 PolarHBondContact O-N 3.49Å; C192-I195 WeakPolarHBondContact O-CB 3.5Å; C192-I195 PolarHBondContact O-N 2.88Å; C192-I196 WeakPolarHBondContact O-CG1 3.48Å; C192-I196 PolarHBondContact O-N 3.24Å; C192-M230 HydrophobicContact CB-SD 3.91Å; C192-M230 VanDerWaalsContact SG-SD 3.62Å; C192-L234 HydrophobicContact CB-CD1 4.08Å; C192-L234 HydrophobicContact CB-CD2 4.18Å
193M84.3Confident85.1Confident41 Ų4122.1 Ų22.120%0.20213%0.125CC..Hα-helixtrans-65.1-38.6179.2-71.1-69.9-81.100112.5W36 K37 P39 I189 S190 A191 I195 I196 V197W36-M193 HydrophobicContact CE3-CE 4.47Å; W36-M193 HydrophobicContact CE3-SD 3.48Å; W36-M193 HydrophobicContact CZ3-SD 3.63Å; K37-M193 WeakPolarHBondContact O-CE 3.5Å; P39-M193 HydrophobicContact CB-CE 4.24Å; P39-M193 VanDerWaalsContact CD-CE 3.48Å; P39-M193 HydrophobicContact CG-CE 3.45Å; P39-M193 VanDerWaalsContact CG-CE 3.45Å; P39-M193 HydrophobicContact CG-SD 4.13Å; I189-M193 HydrophobicContact CG2-CG 4.2Å; I189-M193 WeakPolarHBondContact O-CB 3.49Å; I189-M193 WeakPolarHBondContact O-CG 3.45Å; I189-M193 PolarHBondContact O-N 3.12Å; S190-M193 PolarHBondContact O-N 3.31Å; A191-M193 VanDerWaalsContact C-N 3.29Å; A191-M193 PolarHBondContact O-N 3.03Å; M193-I195 VanDerWaalsContact C-N 3.31Å; M193-I196 PolarHBondContact O-N 3.5Å; M193-I196 HydrophobicContact SD-CD1 4.27Å; M193-V197 WeakPolarHBondContact O-CG2 3.34Å; M193-V197 PolarHBondContact O-N 3.47Å; M193-V197 VanDerWaalsContact O-N 3.16Å
194S82Confident85.4Confident22 Ų2225.9 Ų25.915%0.15414%0.142CC..Hα-helixtrans-62.4-42172.7-172.50000111.2R72 S190 A191 C192 V197 D198R72-S194 PolarHBondContact NH1-OG 3.42Å; S190-S194 PolarHBondContact O-N 3.18Å; A191-S194 PolarHBondContact O-N 3.48Å; C192-S194 PolarHBondContact O-N 3.49Å; S194-V197 PolarHBondContact O-N 3.22Å; S194-D198 PolarHBondContact O-N 3.39Å
195I82.3Confident85.4Confident7 Ų729.3 Ų29.34%0.03616%0.159CC..Hα-helixtrans-63-45.9177.9-68.7177.2000110.6R75 V77 L83 A191 C192 M193 V197 D198 Y199 M230R75-I195 HydrophobicContact CB-CD1 4.34Å; V77-I195 HydrophobicContact CG2-CG2 3.82Å; L83-I195 HydrophobicContact CD1-CD1 3.28Å; L83-I195 HydrophobicContact CD1-CG1 4.44Å; A191-I195 WeakPolarHBondContact O-CG1 3.47Å; A191-I195 PolarHBondContact O-N 3.43Å; C192-I195 WeakPolarHBondContact O-CB 3.5Å; C192-I195 PolarHBondContact O-N 2.88Å; M193-I195 VanDerWaalsContact C-N 3.31Å; I195-V197 VanDerWaalsContact C-N 3.29Å; I195-V197 PolarHBondContact O-N 3.44Å; I195-D198 WeakPolarHBondContact O-CB 3.41Å; I195-D198 PolarHBondContact O-N 3.42Å; I195-D198 VanDerWaalsContact O-N 3.08Å; I195-Y199 HydrophobicContact CG2-CD2 3.53Å; I195-Y199 HydrophobicContact CG2-CE2 3.54Å; I195-Y199 VanDerWaalsContact O-CD2 3.31Å; I195-Y199 WeakPolarHBondContact O-CD2 3.49Å; I195-Y199 PolarHBondContact O-N 3.36Å; I195-M230 HydrophobicContact CB-CE 4.19Å; I195-M230 HydrophobicContact CD1-CE 3.97Å; I195-M230 HydrophobicContact CG2-CE 3.87Å
196I86.2Confident85.5Confident0 Ų029.6 Ų29.60%016%0.161CC..Hα-helixtrans-55.8-45.5177.8-69163.9000110.9W36 C192 M193 D198 Y199 D200 L227 M230 Y231 L234W36-I196 HydrophobicContact CH2-CD1 4.33Å; W36-I196 HydrophobicContact CZ3-CD1 4.05Å; C192-I196 WeakPolarHBondContact O-CG1 3.48Å; C192-I196 PolarHBondContact O-N 3.24Å; M193-I196 PolarHBondContact O-N 3.5Å; M193-I196 HydrophobicContact SD-CD1 4.27Å; I196-D198 PolarHBondContact O-N 3.33Å; I196-Y199 PolarHBondContact O-N 3.39Å; I196-D200 PolarHBondContact O-N 3.35Å; I196-L227 HydrophobicContact CB-CD1 4.45Å; I196-L227 HydrophobicContact CG1-CD1 4.02Å; I196-L227 HydrophobicContact CG2-CD1 4.36Å; I196-M230 HydrophobicContact CD1-CG 4.29Å; I196-M230 HydrophobicContact CG1-CG 4.08Å; I196-Y231 HydrophobicContact CD1-CD1 4.45Å; I196-Y231 HydrophobicContact CD1-CE1 3.94Å; I196-Y231 HydrophobicContact CG1-CE1 4.36Å; I196-Y231 HydrophobicContact CG2-CE1 4.42Å; I196-L234 HydrophobicContact CD1-CD1 3.69Å
197V85Confident85.7Confident68 Ų6828.5 Ų28.541%0.41216%0.16SC..Hα-helixtrans-63.5-40.9177.2173.30000111.9P39 M193 S194 I195 Y199 D200 V201P39-V197 HydrophobicContact CG-CG2 4.27Å; M193-V197 WeakPolarHBondContact O-CG2 3.34Å; M193-V197 PolarHBondContact O-N 3.47Å; M193-V197 VanDerWaalsContact O-N 3.16Å; S194-V197 PolarHBondContact O-N 3.22Å; I195-V197 VanDerWaalsContact C-N 3.29Å; I195-V197 PolarHBondContact O-N 3.44Å; V197-Y199 VanDerWaalsContact C-N 3.34Å; V197-D200 PolarHBondContact O-N 3.42Å; V197-V201 WeakPolarHBondContact O-CG2 2.96Å; V197-V201 PolarHBondContact O-N 3.4Å
198D83.8Confident85.8Confident12 Ų1232.5 Ų32.56%0.06418%0.179CC..Hα-helixtrans-64.1-39.6177-69-25.8000111.1L68 S194 I195 I196 H202L68-D198 HydrophobicContact CD1-CB 3.71Å; S194-D198 PolarHBondContact O-N 3.39Å; I195-D198 WeakPolarHBondContact O-CB 3.41Å; I195-D198 PolarHBondContact O-N 3.42Å; I195-D198 VanDerWaalsContact O-N 3.08Å; I196-D198 PolarHBondContact O-N 3.33Å; D198-H202 PolarHBondContact O-N 3.06Å; D198-H202 VanDerWaalsContact O-N 3.1Å
199Y86.8Confident85.7Confident0 Ų034.2 Ų34.20%019%0.191CC..Hα-helixtrans-68-41.7175.1-90.5-102.4000112.6I74 R75 P76 V77 I195 I196 V197 V201 H202 L203 R223 E226 L227I74-Y199 HydrophobicContact CG2-CD2 4.43Å; I74-Y199 HydrophobicContact CG2-CE2 4.04Å; R75-Y199 WeakPolarHBondContact O-CE2 3.38Å; R75-Y199 PolarHBondContact O-OH 3.33Å; R75-Y199 VanDerWaalsContact O-OH 3.07Å; P76-Y199 WeakPolarHBondContact CA-OH 3.39Å; V77-Y199 HydrophobicContact CG2-CE2 3.85Å; V77-Y199 PolarHBondContact N-OH 3.39Å; I195-Y199 HydrophobicContact CG2-CD2 3.53Å; I195-Y199 HydrophobicContact CG2-CE2 3.54Å; I195-Y199 VanDerWaalsContact O-CD2 3.31Å; I195-Y199 WeakPolarHBondContact O-CD2 3.49Å; I195-Y199 PolarHBondContact O-N 3.36Å; I196-Y199 PolarHBondContact O-N 3.39Å; V197-Y199 VanDerWaalsContact C-N 3.34Å; Y199-V201 VanDerWaalsContact C-N 3.28Å; Y199-V201 PolarHBondContact O-N 2.95Å; Y199-H202 PolarHBondContact O-N 3.15Å; Y199-H202 VanDerWaalsContact O-N 3.14Å; Y199-L203 WeakPolarHBondContact O-CB 3.47Å; Y199-L203 WeakPolarHBondContact O-CG 3.43Å; Y199-L203 PolarHBondContact O-N 2.97Å; Y199-R223 HydrophobicContact CD1-CB 4.35Å; Y199-R223 HydrophobicContact CE1-CB 4.22Å; Y199-R223 WeakPolarHBondContact CE1-O 3.27Å; Y199-E226 HydrophobicContact CE1-CB 3.78Å; Y199-E226 WeakPolarHBondContact CE1-OE2 3.46Å; Y199-E226 PolarHBondContact OH-OE2 3.48Å; Y199-L227 HydrophobicContact CD1-CB 4.18Å
200D85.9Confident85.5Confident33 Ų3335.8 Ų35.818%0.17620%0.203CC..Hα-helixtrans-54.6-45.9175.3-84.7-9.8000111.2K40 I196 V197 Q204K40-D200 WeakPolarHBondContact CE-OD2 3.33Å; K40-D200 IonicContact NZ-OD2 2.9Å; K40-D200 PolarHBondContact NZ-OD2 3.23Å; I196-D200 PolarHBondContact O-N 3.35Å; V197-D200 PolarHBondContact O-N 3.42Å; D200-Q204 WeakPolarHBondContact O-CB 3.41Å; D200-Q204 PolarHBondContact O-N 3.11Å
201V86.6Confident85.1Confident64 Ų6437.1 Ų37.139%0.38821%0.213SC..Hα-helixtrans-65.3-43.4177.9175.90000110.8L68 V197 Y199 Q204 M205L68-V201 HydrophobicContact CD2-CB 4.41Å; L68-V201 HydrophobicContact CD2-CG1 4.07Å; V197-V201 WeakPolarHBondContact O-CG2 2.96Å; V197-V201 PolarHBondContact O-N 3.4Å; Y199-V201 VanDerWaalsContact C-N 3.28Å; Y199-V201 PolarHBondContact O-N 2.95Å; V201-Q204 PolarHBondContact O-N 3.03Å; V201-M205 HydrophobicContact CG1-CE 3.71Å; V201-M205 HydrophobicContact CG1-SD 4.43Å; V201-M205 WeakPolarHBondContact O-CG 3.47Å; V201-M205 PolarHBondContact O-N 3.26Å; V201-M205 VanDerWaalsContact O-N 3.08Å
202H85.9Confident84.9Confident12 Ų1239.9 Ų39.96%0.05623%0.23CC..Hα-helixtrans-67.1-43.5179.8-173.2-155.6000112.9L68 I74 D198 Y199 Q204 M205 L206L68-H202 HydrophobicContact CD2-CB 4.02Å; I74-H202 HydrophobicContact CD1-CB 3.83Å; I74-H202 VanDerWaalsContact CD1-ND1 3.28Å; I74-H202 WeakPolarHBondContact CD1-ND1 3.49Å; I74-H202 HydrophobicContact CG1-CB 4.24Å; D198-H202 PolarHBondContact O-N 3.06Å; D198-H202 VanDerWaalsContact O-N 3.1Å; Y199-H202 PolarHBondContact O-N 3.15Å; Y199-H202 VanDerWaalsContact O-N 3.14Å; H202-Q204 VanDerWaalsContact C-N 3.28Å; H202-Q204 PolarHBondContact O-N 3.23Å; H202-M205 WeakPolarHBondContact O-CB 3.4Å; H202-M205 PolarHBondContact O-N 3.35Å; H202-M205 VanDerWaalsContact O-N 3.16Å; H202-L206 PolarHBondContact O-N 3.35Å
203L89.1Confident84.4Confident7 Ų745.9 Ų45.94%0.03726%0.256CS..Hα-helixtrans-63.9-36.1177.5-75.2168000110.9Y199 L206 T207 Y220 R223 K224 L227Y199-L203 WeakPolarHBondContact O-CB 3.47Å; Y199-L203 WeakPolarHBondContact O-CG 3.43Å; Y199-L203 PolarHBondContact O-N 2.97Å; L203-L206 PolarHBondContact O-N 3.21Å; L203-T207 WeakPolarHBondContact O-CB 3.41Å; L203-T207 PolarHBondContact O-N 2.96Å; L203-T207 PolarHBondContact O-OG1 2.98Å; L203-Y220 HydrophobicContact CD2-CD2 3.88Å; L203-Y220 HydrophobicContact CD2-CE2 3.8Å; L203-R223 HydrophobicContact CD2-CB 3.73Å; L203-R223 HydrophobicContact CG-CB 4.43Å; L203-K224 HydrophobicContact CD1-CD 3.92Å; L203-K224 HydrophobicContact CD2-CD 4.01Å; L203-K224 HydrophobicContact CD2-CG 3.9Å; L203-L227 HydrophobicContact CD1-CD2 3.55Å
204Q88.5Confident84Confident109 Ų10950.1 Ų50.151%0.50928%0.284SS..Hα-helixtrans-61.3-48.1170.9-171.663.345.600111.1D200 V201 H202 L206 T207 D208D200-Q204 WeakPolarHBondContact O-CB 3.41Å; D200-Q204 PolarHBondContact O-N 3.11Å; V201-Q204 PolarHBondContact O-N 3.03Å; H202-Q204 VanDerWaalsContact C-N 3.28Å; H202-Q204 PolarHBondContact O-N 3.23Å; Q204-L206 VanDerWaalsContact C-N 3.33Å; Q204-L206 PolarHBondContact O-N 2.88Å; Q204-T207 PolarHBondContact O-N 2.86Å; Q204-T207 VanDerWaalsContact O-N 3.12Å; Q204-D208 PolarHBondContact NE2-OD1 2.72Å; Q204-D208 WeakPolarHBondContact O-CB 3.32Å; Q204-D208 PolarHBondContact O-N 2.9Å
205M87.1Confident84.2Confident73 Ų7349.8 Ų49.836%0.3628%0.28SS..Hα-helixtrans-60-40.5176.6-67.8173.2177.900112.8L68 S69 V201 H202 T207 S209L68-M205 HydrophobicContact CD2-SD 4.39Å; S69-M205 WeakPolarHBondContact OG-CE 3.19Å; V201-M205 HydrophobicContact CG1-CE 3.71Å; V201-M205 HydrophobicContact CG1-SD 4.43Å; V201-M205 WeakPolarHBondContact O-CG 3.47Å; V201-M205 PolarHBondContact O-N 3.26Å; V201-M205 VanDerWaalsContact O-N 3.08Å; H202-M205 WeakPolarHBondContact O-CB 3.4Å; H202-M205 PolarHBondContact O-N 3.35Å; H202-M205 VanDerWaalsContact O-N 3.16Å; M205-T207 VanDerWaalsContact C-N 3.35Å; M205-S209 WeakPolarHBondContact O-CB 3.34Å; M205-S209 PolarHBondContact O-N 2.93Å; M205-S209 VanDerWaalsContact O-N 3.11Å; M205-S209 PolarHBondContact O-OG 2.77Å
206L87.3Confident84.3Confident11 Ų1150.5 Ų50.56%0.05828%0.284CS..Hα-helixtrans-66.5-38175.4-73.9173.7000111.5H202 L203 Q204 S209 C210 W215 Y220 R223H202-L206 PolarHBondContact O-N 3.35Å; L203-L206 PolarHBondContact O-N 3.21Å; Q204-L206 VanDerWaalsContact C-N 3.33Å; Q204-L206 PolarHBondContact O-N 2.88Å; L206-S209 WeakPolarHBondContact CA-OG 3.35Å; L206-S209 PolarHBondContact O-N 3.41Å; L206-S209 PolarHBondContact O-OG 2.99Å; L206-S209 VanDerWaalsContact O-OG 3.05Å; L206-C210 PolarHBondContact O-N 3.25Å; L206-W215 PolarHBondContact O-NE1 2.62Å; L206-Y220 HydrophobicContact CB-CD2 4.08Å; L206-R223 HydrophobicContact CD1-CB 4.47Å; L206-R223 HydrophobicContact CD1-CG 3.88Å
207T87.8Confident84.5Confident43 Ų4350.5 Ų50.526%0.26428%0.284SS..Hα-helixtrans-68.5-43.8177-54.70000110.9L203 Q204 M205 S209 C210L203-T207 WeakPolarHBondContact O-CB 3.41Å; L203-T207 PolarHBondContact O-N 2.96Å; L203-T207 PolarHBondContact O-OG1 2.98Å; Q204-T207 PolarHBondContact O-N 2.86Å; Q204-T207 VanDerWaalsContact O-N 3.12Å; M205-T207 VanDerWaalsContact C-N 3.35Å; T207-S209 PolarHBondContact O-N 3Å; T207-C210 VanDerWaalsContact O-CB 3.28Å; T207-C210 WeakPolarHBondContact O-CB 3.44Å; T207-C210 PolarHBondContact O-N 3.5Å; T207-C210 VanDerWaalsContact O-N 3.1Å; T207-C210 PolarHBondContact O-SG 3.49Å
208D86.4Confident84.7Confident104 Ų10447.3 Ų47.356%0.55627%0.265SS*.Hα-helixtrans-62.8-30177.8-64-19.2000111.9Q204Q204-D208 PolarHBondContact NE2-OD1 2.72Å; Q204-D208 WeakPolarHBondContact O-CB 3.32Å; Q204-D208 PolarHBondContact O-N 2.9Å
209S84.8Confident84.8Confident36 Ų3648.4 Ų48.425%0.25227%0.269SS..THydrogen-bonded Turntrans-88.32.8177.657.30000114.7M205 L206 T207 S211 T212M205-S209 WeakPolarHBondContact O-CB 3.34Å; M205-S209 PolarHBondContact O-N 2.93Å; M205-S209 VanDerWaalsContact O-N 3.11Å; M205-S209 PolarHBondContact O-OG 2.77Å; L206-S209 WeakPolarHBondContact CA-OG 3.35Å; L206-S209 PolarHBondContact O-N 3.41Å; L206-S209 PolarHBondContact O-OG 2.99Å; L206-S209 VanDerWaalsContact O-OG 3.05Å; T207-S209 PolarHBondContact O-N 3Å; S209-S211 PolarHBondContact O-N 3Å; S209-S211 VanDerWaalsContact O-N 3.08Å; S209-T212 WeakPolarHBondContact O-CB 3.03Å; S209-T212 WeakPolarHBondContact O-CG2 3.33Å; S209-T212 PolarHBondContact O-N 3.18Å; S209-T212 PolarHBondContact O-OG1 3.29Å
210C82.3Confident84.9Confident52 Ų5248.8 Ų48.835%0.35127%0.271SS..THydrogen-bonded Turntrans-60.9-22.3-177.671.20000114.1L206 T207 T212 W215L206-C210 PolarHBondContact O-N 3.25Å; T207-C210 VanDerWaalsContact O-CB 3.28Å; T207-C210 WeakPolarHBondContact O-CB 3.44Å; T207-C210 PolarHBondContact O-N 3.5Å; T207-C210 VanDerWaalsContact O-N 3.1Å; T207-C210 PolarHBondContact O-SG 3.49Å; C210-T212 VanDerWaalsContact C-N 3.28Å; C210-T212 PolarHBondContact O-N 3.03Å; C210-W215 HydrophobicContact CB-CD2 4.32Å; C210-W215 HydrophobicContact CB-CH2 4.39Å; C210-W215 HydrophobicContact CB-CZ2 4.18Å
211S76.7Confident85.1Confident85 Ų8547.5 Ų47.559%0.59426%0.264SS*.THydrogen-bonded Turntrans-77.5-10.5175.560.30000113.7S209S209-S211 PolarHBondContact O-N 3Å; S209-S211 VanDerWaalsContact O-N 3.08Å
212T79.6Confident85Confident59 Ų5946.7 Ų46.736%0.36226%0.257SS..SBendtrans-83.8137.3-177.667.90000111.4S209 C210 T214 W215S209-T212 WeakPolarHBondContact O-CB 3.03Å; S209-T212 WeakPolarHBondContact O-CG2 3.33Å; S209-T212 PolarHBondContact O-N 3.18Å; S209-T212 PolarHBondContact O-OG1 3.29Å; C210-T212 VanDerWaalsContact C-N 3.28Å; C210-T212 PolarHBondContact O-N 3.03Å; T212-T214 PolarHBondContact O-N 3.41Å; T212-W215 VanDerWaalsContact O-CB 3.24Å; T212-W215 WeakPolarHBondContact O-CB 3.39Å; T212-W215 PolarHBondContact O-N 3.04Å; T212-W215 VanDerWaalsContact O-N 3.09Å
213F73.7Confident85Confident125 Ų12547.9 Ų47.955%0.54826%0.261SS..THydrogen-bonded Turntrans-61.9-26-178.8-178.5-97.3000113.8W215 K264 R265F213-W215 VanDerWaalsContact C-N 3.31Å; F213-K264 HydrophobicContact CE2-CB 3.96Å; F213-K264 WeakPolarHBondContact CE2-O 3.36Å; F213-R265 WeakPolarHBondContact CE2-O 3.31Å
214T77.1Confident85.1Confident130 Ų13048 Ų4880%0.79826%0.262SS*.THydrogen-bonded Turntrans-82.5-5.8179.151.60000114T212T212-T214 PolarHBondContact O-N 3.41Å
215W84.7Confident85Confident15 Ų1543.5 Ų43.56%0.05724%0.241CC..  trans-71142.2-179.3-174.286.9000111.4L206 C210 T212 F213 Y217 Y220 L250 W268L206-W215 PolarHBondContact O-NE1 2.62Å; C210-W215 HydrophobicContact CB-CD2 4.32Å; C210-W215 HydrophobicContact CB-CH2 4.39Å; C210-W215 HydrophobicContact CB-CZ2 4.18Å; T212-W215 VanDerWaalsContact O-CB 3.24Å; T212-W215 WeakPolarHBondContact O-CB 3.39Å; T212-W215 PolarHBondContact O-N 3.04Å; T212-W215 VanDerWaalsContact O-N 3.09Å; F213-W215 VanDerWaalsContact C-N 3.31Å; W215-Y217 AromaticContact CH2-CD2 3.87Å; W215-Y217 HydrophobicContact CH2-CD2 3.87Å; W215-Y217 HydrophobicContact CH2-CG 4.39Å; W215-Y217 HydrophobicContact CZ3-CD2 4.41Å; W215-Y220 HydrophobicContact CZ2-CD2 4.5Å; W215-Y220 HydrophobicContact CZ2-CG 4.15Å; W215-L250 HydrophobicContact CH2-CD2 4.25Å; W215-L250 HydrophobicContact CZ2-CD2 4.24Å; W215-W268 HydrophobicContact CE3-CZ2 4.36Å; W215-W268 AromaticContact CE3-NE1 3.71Å; W215-W268 AromaticContact CZ3-CE2 3.95Å; W215-W268 AromaticContact CZ3-CZ2 3.81Å; W215-W268 HydrophobicContact CZ3-CZ2 3.81Å; W215-W268 PolarHBondContact O-NE1 2.9Å
216D84.9Confident84.8Confident22 Ų2240.3 Ų40.312%0.11823%0.225CC..  trans-123.3116.5178.8-173.8-5.9000109.8F218 E219 Y220 W268 R271 R306D216-F218 PolarHBondContact O-N 2.75Å; D216-F218 WeakPolarHBondContact OD1-CD2 3.26Å; D216-F218 PolarHBondContact OD1-N 3.26Å; D216-E219 HydrophobicContact CB-CB 4.47Å; D216-E219 WeakPolarHBondContact O-CB 3.38Å; D216-E219 PolarHBondContact O-N 3.22Å; D216-Y220 PolarHBondContact O-N 3.04Å; D216-W268 WeakPolarHBondContact OD1-CB 2.86Å; D216-R271 IonicContact OD1-NH2 3.46Å; D216-R271 IonicContact OD2-NH2 2.91Å; D216-R271 PolarHBondContact OD2-NH2 3.48Å; D216-R271 VanDerWaalsContact OD2-NH2 3.17Å; D216-R306 IonicContact OD2-CZ 2.79Å; D216-R306 IonicContact OD2-NH1 3.13Å; D216-R306 PolarHBondContact OD2-NH1 3.43Å
217Y90.1Very high84.8Confident0 Ų039.9 Ų39.90%022%0.222CC..Hα-helixtrans-56.7-35177.4173.7-96.2000112.4W215 E219 Y220 L221 A247 L251 W268 L313W215-Y217 AromaticContact CH2-CD2 3.87Å; W215-Y217 HydrophobicContact CH2-CD2 3.87Å; W215-Y217 HydrophobicContact CH2-CG 4.39Å; W215-Y217 HydrophobicContact CZ3-CD2 4.41Å; Y217-E219 PolarHBondContact O-N 3.41Å; Y217-Y220 HydrophobicContact CD2-CD1 4.42Å; Y217-Y220 HydrophobicContact CE2-CD1 4.16Å; Y217-Y220 WeakPolarHBondContact O-CB 3.22Å; Y217-Y220 PolarHBondContact O-N 3.1Å; Y217-Y220 VanDerWaalsContact O-N 3.09Å; Y217-L221 HydrophobicContact CD1-CB 4.5Å; Y217-L221 HydrophobicContact CE1-CB 4.04Å; Y217-L221 HydrophobicContact CE1-CD2 4.13Å; Y217-L221 PolarHBondContact O-N 3.38Å; Y217-A247 PolarHBondContact OH-O 3.45Å; Y217-A247 VanDerWaalsContact OH-O 3.05Å; Y217-L251 HydrophobicContact CD1-CD1 4.07Å; Y217-L251 HydrophobicContact CD2-CB 4.44Å; Y217-L251 HydrophobicContact CD2-CD1 4.22Å; Y217-L251 HydrophobicContact CE1-CB 4.47Å; Y217-L251 HydrophobicContact CE1-CD1 3.98Å; Y217-L251 HydrophobicContact CE1-CD2 4.47Å; Y217-L251 HydrophobicContact CE2-CB 3.68Å; Y217-L251 HydrophobicContact CE2-CD1 4.14Å; Y217-L251 HydrophobicContact CE2-CG 4.46Å; Y217-L251 HydrophobicContact CG-CD1 4.2Å; Y217-W268 VanDerWaalsContact CB-CE3 3.43Å; Y217-W268 HydrophobicContact CD1-CZ3 4.42Å; Y217-W268 HydrophobicContact CG-CE3 4.27Å; Y217-W268 HydrophobicContact CG-CH2 4.37Å; Y217-W268 HydrophobicContact CG-CZ3 4.02Å; Y217-L313 HydrophobicContact CD1-CD2 4.25Å; Y217-L313 HydrophobicContact CE1-CD1 4.35Å; Y217-L313 HydrophobicContact CE1-CD2 3.86Å
218F89.3Confident84.8Confident2 Ų237.8 Ų37.81%0.00921%0.21CC..Hα-helixtrans-64.3-30.3179.3-69.8-78.8000111.8D216 L221 D222 W268 L272 L303 R306 A308 L313D216-F218 PolarHBondContact O-N 2.75Å; D216-F218 WeakPolarHBondContact OD1-CD2 3.26Å; D216-F218 PolarHBondContact OD1-N 3.26Å; F218-L221 PolarHBondContact O-N 3.33Å; F218-D222 WeakPolarHBondContact O-CB 3.4Å; F218-D222 PolarHBondContact O-N 3.49Å; F218-W268 HydrophobicContact CD2-CB 4.29Å; F218-L272 HydrophobicContact CE2-CD2 4.4Å; F218-L272 HydrophobicContact CZ-CD2 3.88Å; F218-L303 HydrophobicContact CE1-CD2 4.22Å; F218-R306 HydrophobicContact CB-CB 4.36Å; F218-R306 HydrophobicContact CB-CG 3.87Å; F218-R306 HydrophobicContact CD2-CB 4.07Å; F218-R306 HydrophobicContact CD2-CG 4.49Å; F218-R306 HydrophobicContact CG-CB 4.08Å; F218-R306 HydrophobicContact CG-CG 4.06Å; F218-A308 HydrophobicContact CE1-CB 4.42Å; F218-A308 HydrophobicContact CZ-CB 4.35Å; F218-L313 HydrophobicContact CE1-CD1 4.46Å
219E86.3Confident84.6Confident34 Ų3433.9 Ų33.916%0.15919%0.188CC..Hα-helixtrans-67-41.8173.3-166-170.9149.300111.5K66 D216 Y217 D222 R223K66-E219 WeakPolarHBondContact CE-OE1 3.38Å; K66-E219 IonicContact NZ-OE1 2.83Å; K66-E219 PolarHBondContact NZ-OE1 3.09Å; K66-E219 IonicContact NZ-OE2 3.57Å; K66-E219 PolarHBondContact NZ-OE2 3.4Å; D216-E219 HydrophobicContact CB-CB 4.47Å; D216-E219 WeakPolarHBondContact O-CB 3.38Å; D216-E219 PolarHBondContact O-N 3.22Å; Y217-E219 PolarHBondContact O-N 3.41Å; E219-D222 PolarHBondContact O-N 3.27Å; E219-R223 WeakPolarHBondContact O-CG 3.32Å; E219-R223 PolarHBondContact O-N 3.1Å; E219-R223 PolarHBondContact O-NH1 2.64Å
220Y89.3Confident84.6Confident9 Ų932.6 Ų32.64%0.03518%0.178CC..Hα-helixtrans-62.9-45.2174.4174.4-91.5000111.6L203 L206 W215 D216 Y217 R223 K224 A247 L250L203-Y220 HydrophobicContact CD2-CD2 3.88Å; L203-Y220 HydrophobicContact CD2-CE2 3.8Å; L206-Y220 HydrophobicContact CB-CD2 4.08Å; W215-Y220 HydrophobicContact CZ2-CD2 4.5Å; W215-Y220 HydrophobicContact CZ2-CG 4.15Å; D216-Y220 PolarHBondContact O-N 3.04Å; Y217-Y220 HydrophobicContact CD2-CD1 4.42Å; Y217-Y220 HydrophobicContact CE2-CD1 4.16Å; Y217-Y220 WeakPolarHBondContact O-CB 3.22Å; Y217-Y220 PolarHBondContact O-N 3.1Å; Y217-Y220 VanDerWaalsContact O-N 3.09Å; Y220-R223 PolarHBondContact O-N 2.87Å; Y220-K224 HydrophobicContact CD1-CG 4.08Å; Y220-K224 HydrophobicContact CE1-CD 4.44Å; Y220-K224 HydrophobicContact CE1-CG 3.58Å; Y220-K224 HydrophobicContact CE2-CG 4.31Å; Y220-K224 VanDerWaalsContact CZ-CE 3.44Å; Y220-K224 PolarHBondContact O-N 2.75Å; Y220-K224 WeakPolarHBondContact OH-CE 3.47Å; Y220-A247 HydrophobicContact CE1-CB 4.46Å; Y220-L250 HydrophobicContact CD1-CD2 3.78Å; Y220-L250 HydrophobicContact CD2-CD2 4.03Å; Y220-L250 HydrophobicContact CE1-CB 4.25Å; Y220-L250 HydrophobicContact CE1-CD2 3.41Å; Y220-L250 VanDerWaalsContact CE1-CD2 3.41Å; Y220-L250 HydrophobicContact CE1-CG 4.43Å; Y220-L250 HydrophobicContact CE2-CD2 3.67Å; Y220-L250 HydrophobicContact CG-CD2 4.06Å
221L90Very high84.8Confident6 Ų630.3 Ų30.33%0.03116%0.162CC..Hα-helixtrans-59.4-48.5175.9-179.761.7000111.2Y217 F218 R223 K224 E225 A247 L313 L317Y217-L221 HydrophobicContact CD1-CB 4.5Å; Y217-L221 HydrophobicContact CE1-CB 4.04Å; Y217-L221 HydrophobicContact CE1-CD2 4.13Å; Y217-L221 PolarHBondContact O-N 3.38Å; F218-L221 PolarHBondContact O-N 3.33Å; L221-R223 PolarHBondContact O-N 3.35Å; L221-K224 PolarHBondContact O-N 2.75Å; L221-K224 VanDerWaalsContact O-N 3.09Å; L221-E225 HydrophobicContact CD1-CG 4.07Å; L221-E225 HydrophobicContact CG-CG 4.28Å; L221-E225 WeakPolarHBondContact O-CG 3.14Å; L221-E225 PolarHBondContact O-N 3.4Å; L221-A247 HydrophobicContact CD1-CB 4.12Å; L221-L313 HydrophobicContact CD2-CD1 3.74Å; L221-L317 HydrophobicContact CD1-CD2 3.78Å
222D85Confident85.1Confident47 Ų4727.1 Ų27.125%0.25114%0.138SC..Hα-helixtrans-53.2-42.5177.6-68.6-27.2000111F218 E219 E226 R306F218-D222 WeakPolarHBondContact O-CB 3.4Å; F218-D222 PolarHBondContact O-N 3.49Å; E219-D222 PolarHBondContact O-N 3.27Å; D222-E226 WeakPolarHBondContact O-CB 2.98Å; D222-E226 VanDerWaalsContact O-CG 3.24Å; D222-E226 WeakPolarHBondContact O-CG 2.95Å; D222-E226 PolarHBondContact O-N 2.9Å; D222-R306 IonicContact OD2-CZ 3.79Å; D222-R306 IonicContact OD2-NE 4Å; D222-R306 IonicContact OD2-NH2 2.85Å; D222-R306 PolarHBondContact OD2-NH2 3Å
223R85.9Confident85.2Confident36 Ų3625.9 Ų25.914%0.13613%0.128CC..Hα-helixtrans-70.9-40.7178.5-63.1-56.982.665.9-6.3112.6Y199 L203 L206 E219 Y220 L221 E225 E226 L227Y199-R223 HydrophobicContact CD1-CB 4.35Å; Y199-R223 HydrophobicContact CE1-CB 4.22Å; Y199-R223 WeakPolarHBondContact CE1-O 3.27Å; L203-R223 HydrophobicContact CD2-CB 3.73Å; L203-R223 HydrophobicContact CG-CB 4.43Å; L206-R223 HydrophobicContact CD1-CB 4.47Å; L206-R223 HydrophobicContact CD1-CG 3.88Å; E219-R223 WeakPolarHBondContact O-CG 3.32Å; E219-R223 PolarHBondContact O-N 3.1Å; E219-R223 PolarHBondContact O-NH1 2.64Å; Y220-R223 PolarHBondContact O-N 2.87Å; L221-R223 PolarHBondContact O-N 3.35Å; R223-E225 VanDerWaalsContact C-N 3.34Å; R223-E226 IonicContact CZ-OE1 2.93Å; R223-E226 IonicContact CZ-OE2 2.74Å; R223-E226 IonicContact NE-OE1 2.96Å; R223-E226 IonicContact NE-OE2 2.8Å; R223-E226 PolarHBondContact NE-OE2 2.88Å; R223-E226 IonicContact NH2-OE1 2.66Å; R223-E226 PolarHBondContact NH2-OE1 2.93Å; R223-E226 IonicContact NH2-OE2 3.26Å; R223-E226 PolarHBondContact NH2-OE2 3.13Å; R223-E226 PolarHBondContact O-N 3.36Å; R223-L227 WeakPolarHBondContact O-CB 3.49Å; R223-L227 PolarHBondContact O-N 3.22Å
224K89.7Confident85.7Confident11 Ų1120 Ų205%0.04810%0.102CC..Hα-helixtrans-62.5-41.4175-80.2-65.7-168.5-177.40111.5L203 Y220 L221 L227 A228 E243 E246 A247L203-K224 HydrophobicContact CD1-CD 3.92Å; L203-K224 HydrophobicContact CD2-CD 4.01Å; L203-K224 HydrophobicContact CD2-CG 3.9Å; Y220-K224 HydrophobicContact CD1-CG 4.08Å; Y220-K224 HydrophobicContact CE1-CD 4.44Å; Y220-K224 HydrophobicContact CE1-CG 3.58Å; Y220-K224 HydrophobicContact CE2-CG 4.31Å; Y220-K224 VanDerWaalsContact CZ-CE 3.44Å; Y220-K224 PolarHBondContact O-N 2.75Å; Y220-K224 WeakPolarHBondContact OH-CE 3.47Å; L221-K224 PolarHBondContact O-N 2.75Å; L221-K224 VanDerWaalsContact O-N 3.09Å; K224-L227 PolarHBondContact O-N 2.6Å; K224-A228 WeakPolarHBondContact O-CB 3.3Å; K224-A228 PolarHBondContact O-N 3.24Å; K224-E243 HydrophobicContact CD-CB 4.37Å; K224-E243 WeakPolarHBondContact CD-OE2 3.23Å; K224-E243 WeakPolarHBondContact CE-OE2 3.07Å; K224-E243 IonicContact NZ-OE2 2.67Å; K224-E243 PolarHBondContact NZ-OE2 2.59Å; K224-E246 IonicContact NZ-OE2 3.18Å; K224-E246 PolarHBondContact NZ-OE2 3.15Å; K224-A247 HydrophobicContact CB-CB 4.48Å; K224-A247 HydrophobicContact CG-CB 4.45Å
225E86.4Confident85.9Confident14 Ų1414.9 Ų14.97%0.0658%0.076CC..Hα-helixtrans-64.3-49.4175.8-70-157.1140.800111.8L221 R223 L227 A228 H229 Y244 Y316L221-E225 HydrophobicContact CD1-CG 4.07Å; L221-E225 HydrophobicContact CG-CG 4.28Å; L221-E225 WeakPolarHBondContact O-CG 3.14Å; L221-E225 PolarHBondContact O-N 3.4Å; R223-E225 VanDerWaalsContact C-N 3.34Å; E225-L227 PolarHBondContact O-N 3.36Å; E225-A228 WeakPolarHBondContact O-CB 3.32Å; E225-A228 PolarHBondContact O-N 3.04Å; E225-A228 VanDerWaalsContact O-N 3.1Å; E225-H229 PolarHBondContact O-N 2.88Å; E225-H229 PolarHBondContact O-ND1 3.4Å; E225-Y244 HydrophobicContact CG-CE1 3.89Å; E225-Y316 VanDerWaalsContact CD-OH 3.3Å; E225-Y316 WeakPolarHBondContact OE1-CE1 3.35Å; E225-Y316 PolarHBondContact OE1-OH 3.45Å; E225-Y316 PolarHBondContact OE2-OH 3Å
226E84Confident85.9Confident6 Ų614.2 Ų14.23%0.0287%0.073CC..Hα-helixtrans-54.2-41.2176.3-77.6168.5-174.100111.6F3 V77 Y199 D222 R223 M230F3-E226 HydrophobicContact CE1-CG 4.4Å; V77-E226 HydrophobicContact CB-CB 3.99Å; V77-E226 HydrophobicContact CB-CG 4.49Å; V77-E226 WeakPolarHBondContact CB-O 3.28Å; V77-E226 WeakPolarHBondContact CG1-O 3.2Å; V77-E226 HydrophobicContact CG2-CB 4.45Å; Y199-E226 HydrophobicContact CE1-CB 3.78Å; Y199-E226 WeakPolarHBondContact CE1-OE2 3.46Å; Y199-E226 PolarHBondContact OH-OE2 3.48Å; D222-E226 WeakPolarHBondContact O-CB 2.98Å; D222-E226 VanDerWaalsContact O-CG 3.24Å; D222-E226 WeakPolarHBondContact O-CG 2.95Å; D222-E226 PolarHBondContact O-N 2.9Å; R223-E226 IonicContact CZ-OE1 2.93Å; R223-E226 IonicContact CZ-OE2 2.74Å; R223-E226 IonicContact NE-OE1 2.96Å; R223-E226 IonicContact NE-OE2 2.8Å; R223-E226 PolarHBondContact NE-OE2 2.88Å; R223-E226 IonicContact NH2-OE1 2.66Å; R223-E226 PolarHBondContact NH2-OE1 2.93Å; R223-E226 IonicContact NH2-OE2 3.26Å; R223-E226 PolarHBondContact NH2-OE2 3.13Å; R223-E226 PolarHBondContact O-N 3.36Å; E226-M230 PolarHBondContact O-N 3.37Å; E226-M230 VanDerWaalsContact O-N 3.08Å
227L87.5Confident86Confident1 Ų115.9 Ų15.91%0.0058%0.08CC..Hα-helixtrans-68.4-43.8175.1-177.258000112.4I196 Y199 L203 R223 K224 E225 H229 M230 Y231 E243I196-L227 HydrophobicContact CB-CD1 4.45Å; I196-L227 HydrophobicContact CG1-CD1 4.02Å; I196-L227 HydrophobicContact CG2-CD1 4.36Å; Y199-L227 HydrophobicContact CD1-CB 4.18Å; L203-L227 HydrophobicContact CD1-CD2 3.55Å; R223-L227 WeakPolarHBondContact O-CB 3.49Å; R223-L227 PolarHBondContact O-N 3.22Å; K224-L227 PolarHBondContact O-N 2.6Å; E225-L227 PolarHBondContact O-N 3.36Å; L227-H229 VanDerWaalsContact C-N 3.29Å; L227-H229 PolarHBondContact O-N 3.33Å; L227-M230 WeakPolarHBondContact O-CA 3.32Å; L227-M230 VanDerWaalsContact O-CB 3.32Å; L227-M230 WeakPolarHBondContact O-CB 3.4Å; L227-M230 PolarHBondContact O-N 3.01Å; L227-M230 VanDerWaalsContact O-N 3.07Å; L227-Y231 HydrophobicContact CD1-CD2 4.4Å; L227-Y231 HydrophobicContact CD1-CE2 3.82Å; L227-Y231 HydrophobicContact CD2-CE2 4.06Å; L227-Y231 HydrophobicContact CG-CD2 4.12Å; L227-Y231 HydrophobicContact CG-CE2 3.57Å; L227-Y231 WeakPolarHBondContact O-CD2 3.27Å; L227-Y231 PolarHBondContact O-N 3.02Å; L227-E243 HydrophobicContact CD2-CG 4.36Å; L227-E243 WeakPolarHBondContact CD2-OE2 3.2Å; L227-E243 HydrophobicContact CG-CG 4.26Å
228A87.9Confident85.8Confident0 Ų018.8 Ų18.80%09%0.094CC..Hα-helixtrans-58.8-40.6175.300000111.7K224 E225 Y231 L232 A240 E243 Y244K224-A228 WeakPolarHBondContact O-CB 3.3Å; K224-A228 PolarHBondContact O-N 3.24Å; E225-A228 WeakPolarHBondContact O-CB 3.32Å; E225-A228 PolarHBondContact O-N 3.04Å; E225-A228 VanDerWaalsContact O-N 3.1Å; A228-Y231 WeakPolarHBondContact O-CB 3.39Å; A228-Y231 PolarHBondContact O-N 3.4Å; A228-L232 WeakPolarHBondContact O-CG 3.15Å; A228-L232 PolarHBondContact O-N 3.38Å; A228-A240 HydrophobicContact CB-CB 4.28Å; A228-A240 WeakPolarHBondContact O-CB 3.45Å; A228-E243 HydrophobicContact CB-CB 3.92Å; A228-E243 HydrophobicContact CB-CG 4.31Å; A228-Y244 HydrophobicContact CB-CD2 4.04Å; A228-Y244 HydrophobicContact CB-CE2 3.54Å
229H81.6Confident85.7Confident21 Ų2119.3 Ų19.310%0.09710%0.096CC..Hα-helixtrans-65.3-38.1174.2-69.799.1000112.3E225 L227 Y231 L232 F233E225-H229 PolarHBondContact O-N 2.88Å; E225-H229 PolarHBondContact O-ND1 3.4Å; L227-H229 VanDerWaalsContact C-N 3.29Å; L227-H229 PolarHBondContact O-N 3.33Å; H229-Y231 VanDerWaalsContact C-N 3.28Å; H229-Y231 PolarHBondContact O-N 3.48Å; H229-L232 PolarHBondContact O-N 3.03Å; H229-F233 PolarHBondContact O-N 3.2Å
230M83.8Confident85.9Confident9 Ų917.7 Ų17.74%0.0449%0.089CC..Hα-helixtrans-59.5-42.3171.7-171.962.979.300110.8V77 C192 I195 I196 E226 L227 F233 L234V77-M230 HydrophobicContact CB-CE 4.32Å; V77-M230 HydrophobicContact CG1-CB 4.1Å; V77-M230 HydrophobicContact CG1-CE 3.73Å; V77-M230 HydrophobicContact CG1-SD 4.48Å; V77-M230 HydrophobicContact CG2-CE 3.59Å; C192-M230 HydrophobicContact CB-SD 3.91Å; C192-M230 VanDerWaalsContact SG-SD 3.62Å; I195-M230 HydrophobicContact CB-CE 4.19Å; I195-M230 HydrophobicContact CD1-CE 3.97Å; I195-M230 HydrophobicContact CG2-CE 3.87Å; I196-M230 HydrophobicContact CD1-CG 4.29Å; I196-M230 HydrophobicContact CG1-CG 4.08Å; E226-M230 PolarHBondContact O-N 3.37Å; E226-M230 VanDerWaalsContact O-N 3.08Å; L227-M230 WeakPolarHBondContact O-CA 3.32Å; L227-M230 VanDerWaalsContact O-CB 3.32Å; L227-M230 WeakPolarHBondContact O-CB 3.4Å; L227-M230 PolarHBondContact O-N 3.01Å; L227-M230 VanDerWaalsContact O-N 3.07Å; M230-F233 PolarHBondContact O-N 3.02Å; M230-F233 HydrophobicContact SD-CD1 4.18Å; M230-L234 HydrophobicContact CG-CD1 4.14Å; M230-L234 WeakPolarHBondContact O-CB 3.2Å; M230-L234 VanDerWaalsContact O-CG 3.29Å; M230-L234 WeakPolarHBondContact O-CG 3.33Å; M230-L234 PolarHBondContact O-N 3.34Å
231Y87.4Confident85.9Confident4 Ų417.2 Ų17.22%0.0169%0.087CC..Hα-helixtrans-66-40.7175.8-70-47.4000113W36 H38 I196 L227 A228 H229 L234 G235 G236 H239 E243W36-Y231 AromaticContact CH2-CD1 3.94Å; W36-Y231 HydrophobicContact CH2-CD1 3.94Å; W36-Y231 HydrophobicContact CH2-CE1 4.03Å; W36-Y231 HydrophobicContact CZ2-CD1 4.47Å; H38-Y231 AromaticContact CD2-CE1 3.67Å; H38-Y231 AromaticContact NE2-CE1 3.76Å; H38-Y231 AromaticContact NE2-CZ 3.68Å; H38-Y231 PolarHBondContact NE2-OH 2.89Å; I196-Y231 HydrophobicContact CD1-CD1 4.45Å; I196-Y231 HydrophobicContact CD1-CE1 3.94Å; I196-Y231 HydrophobicContact CG1-CE1 4.36Å; I196-Y231 HydrophobicContact CG2-CE1 4.42Å; L227-Y231 HydrophobicContact CD1-CD2 4.4Å; L227-Y231 HydrophobicContact CD1-CE2 3.82Å; L227-Y231 HydrophobicContact CD2-CE2 4.06Å; L227-Y231 HydrophobicContact CG-CD2 4.12Å; L227-Y231 HydrophobicContact CG-CE2 3.57Å; L227-Y231 WeakPolarHBondContact O-CD2 3.27Å; L227-Y231 PolarHBondContact O-N 3.02Å; A228-Y231 WeakPolarHBondContact O-CB 3.39Å; A228-Y231 PolarHBondContact O-N 3.4Å; H229-Y231 VanDerWaalsContact C-N 3.28Å; H229-Y231 PolarHBondContact O-N 3.48Å; Y231-L234 CarbonylContact O-C 3.52Å; Y231-L234 VanDerWaalsContact O-C 3.29Å; Y231-L234 PolarHBondContact O-N 3.16Å; Y231-G235 PolarHBondContact O-N 3.16Å; Y231-G235 VanDerWaalsContact O-N 3.07Å; Y231-G236 WeakPolarHBondContact O-CA 3.26Å; Y231-G236 PolarHBondContact O-N 2.85Å; Y231-H239 HydrophobicContact CD1-CB 3.75Å; Y231-H239 HydrophobicContact CD2-CB 3.65Å; Y231-H239 HydrophobicContact CE1-CB 4.06Å; Y231-H239 HydrophobicContact CE2-CB 3.95Å; Y231-H239 HydrophobicContact CG-CB 3.55Å; Y231-E243 HydrophobicContact CD2-CG 3.74Å; Y231-E243 HydrophobicContact CE2-CG 3.67Å; Y231-E243 WeakPolarHBondContact CE2-OE1 3.4Å
232L83.9Confident85.9Confident19 Ų1921.2 Ų21.210%0.09911%0.105CC..Hα-helixtrans-59.8-45.1173.1-70.9172.4000111.5A228 H229 L234 G235 A240 V292 I324 I327A228-L232 WeakPolarHBondContact O-CG 3.15Å; A228-L232 PolarHBondContact O-N 3.38Å; H229-L232 PolarHBondContact O-N 3.03Å; L232-L234 VanDerWaalsContact C-N 3.25Å; L232-L234 PolarHBondContact O-N 3.34Å; L232-G235 PolarHBondContact O-N 2.85Å; L232-A240 HydrophobicContact CD2-CB 3.8Å; L232-A240 HydrophobicContact CG-CB 3.72Å; L232-V292 HydrophobicContact CD1-CG1 3.82Å; L232-I324 HydrophobicContact CD2-CG1 4.28Å; L232-I327 HydrophobicContact CD2-CD1 4.43Å
233F81.2Confident86.2Confident32 Ų3219.5 Ų19.514%0.1410%0.095CC..Hα-helixtrans-58.8-39.4174.8166.9-110.3000112L5 P7 V47 L49 I188 H229 M230 G235L5-F233 VanDerWaalsContact O-CD2 3.24Å; L5-F233 WeakPolarHBondContact O-CD2 3.31Å; P7-F233 HydrophobicContact CB-CZ 4.39Å; P7-F233 HydrophobicContact CG-CE1 4.15Å; P7-F233 HydrophobicContact CG-CE2 3.83Å; P7-F233 HydrophobicContact CG-CZ 3.46Å; P7-F233 VanDerWaalsContact CG-CZ 3.46Å; V47-F233 WeakPolarHBondContact CG1-O 3.29Å; L49-F233 HydrophobicContact CD2-CE1 4.23Å; L49-F233 HydrophobicContact CD2-CE2 4.4Å; L49-F233 HydrophobicContact CD2-CZ 3.68Å; I188-F233 HydrophobicContact CG2-CE1 4.43Å; I188-F233 HydrophobicContact CG2-CZ 4.35Å; H229-F233 PolarHBondContact O-N 3.2Å; M230-F233 PolarHBondContact O-N 3.02Å; M230-F233 HydrophobicContact SD-CD1 4.18Å; F233-G235 PolarHBondContact O-N 2.96Å
234L84.6Confident86.5Confident1 Ų118 Ų181%0.0059%0.09CC..THydrogen-bonded Turntrans-83.913.6176.6-66.7175.6000113.3W36 V47 I189 C192 I196 M230 Y231 L232 G236W36-L234 HydrophobicContact CD2-CB 4.34Å; W36-L234 HydrophobicContact CD2-CD1 4.19Å; W36-L234 HydrophobicContact CE3-CD1 4.18Å; W36-L234 HydrophobicContact CH2-CB 4.32Å; W36-L234 HydrophobicContact CH2-CD1 3.84Å; W36-L234 HydrophobicContact CZ2-CB 3.53Å; W36-L234 HydrophobicContact CZ2-CD1 3.87Å; W36-L234 HydrophobicContact CZ2-CG 4.34Å; W36-L234 HydrophobicContact CZ3-CD1 3.99Å; W36-L234 PolarHBondContact NE1-O 3.35Å; V47-L234 WeakPolarHBondContact CG2-O 3.4Å; I189-L234 HydrophobicContact CD1-CD2 3.65Å; C192-L234 HydrophobicContact CB-CD1 4.08Å; C192-L234 HydrophobicContact CB-CD2 4.18Å; I196-L234 HydrophobicContact CD1-CD1 3.69Å; M230-L234 HydrophobicContact CG-CD1 4.14Å; M230-L234 WeakPolarHBondContact O-CB 3.2Å; M230-L234 VanDerWaalsContact O-CG 3.29Å; M230-L234 WeakPolarHBondContact O-CG 3.33Å; M230-L234 PolarHBondContact O-N 3.34Å; Y231-L234 CarbonylContact O-C 3.52Å; Y231-L234 VanDerWaalsContact O-C 3.29Å; Y231-L234 PolarHBondContact O-N 3.16Å; L232-L234 VanDerWaalsContact C-N 3.25Å; L232-L234 PolarHBondContact O-N 3.34Å; L234-G236 PolarHBondContact O-N 3.44Å
235G80.2Confident86.6Confident24 Ų2421.9 Ų21.925%0.24710%0.104CC..THydrogen-bonded Turntrans61.79.7179.600000115.1Y231 L232 F233 H237Y231-G235 PolarHBondContact O-N 3.16Å; Y231-G235 VanDerWaalsContact O-N 3.07Å; L232-G235 PolarHBondContact O-N 2.85Å; F233-G235 PolarHBondContact O-N 2.96Å; G235-H237 PolarHBondContact O-N 2.94Å; G235-H237 VanDerWaalsContact O-N 3.07Å
236G85Confident86.9Confident0 Ų024.3 Ų24.30%012%0.116CC..  trans-83.558.8177.200000111.2Y231 L234 E238 H239 A240Y231-G236 WeakPolarHBondContact O-CA 3.26Å; Y231-G236 PolarHBondContact O-N 2.85Å; L234-G236 PolarHBondContact O-N 3.44Å; G236-E238 VanDerWaalsContact C-N 3.26Å; G236-E238 PolarHBondContact O-N 3.23Å; G236-H239 WeakPolarHBondContact O-CA 3.15Å; G236-H239 WeakPolarHBondContact O-CB 3.39Å; G236-H239 PolarHBondContact O-N 3.11Å; G236-A240 PolarHBondContact O-N 2.69Å
237H85.9Confident87.4Confident57 Ų5724 Ų2426%0.26411%0.114SC..Hα-helixtrans-59.2-36.3-172.9-49.3147.4000112.8G235 H239 A240 L241 I324 I327 C328G235-H237 PolarHBondContact O-N 2.94Å; G235-H237 VanDerWaalsContact O-N 3.07Å; H237-H239 VanDerWaalsContact C-N 3.31Å; H237-H239 PolarHBondContact O-N 3.2Å; H237-A240 WeakPolarHBondContact O-CB 3.33Å; H237-A240 PolarHBondContact O-N 3.39Å; H237-L241 PolarHBondContact O-N 3.12Å; H237-I324 HydrophobicContact CB-CG2 4.49Å; H237-I324 WeakPolarHBondContact O-CG2 3.34Å; H237-I327 WeakPolarHBondContact CE1-CG2 3.25Å; H237-I327 WeakPolarHBondContact ND1-CG2 3.37Å; H237-C328 WeakPolarHBondContact CB-SG 3.48Å
238E86.2Confident87.6Confident62 Ų6224.4 Ų24.429%0.2912%0.117SC..Hα-helixtrans-60.2-39173.2-68.1-56.7133.500112.8G236 H242 C328 R330G236-E238 VanDerWaalsContact C-N 3.26Å; G236-E238 PolarHBondContact O-N 3.23Å; E238-H242 WeakPolarHBondContact O-CB 3.24Å; E238-H242 PolarHBondContact O-N 3.43Å; E238-C328 PolarHBondContact OE1-SG 3.33Å; E238-R330 VanDerWaalsContact CD-NH2 3.25Å; E238-R330 IonicContact OE1-CZ 3Å; E238-R330 IonicContact OE1-NE 3.95Å; E238-R330 IonicContact OE1-NH1 3.85Å; E238-R330 PolarHBondContact OE1-NH1 3.28Å; E238-R330 VanDerWaalsContact OE1-NH1 3.11Å; E238-R330 IonicContact OE1-NH2 2.61Å; E238-R330 PolarHBondContact OE1-NH2 2.86Å; E238-R330 IonicContact OE2-CZ 2.98Å; E238-R330 IonicContact OE2-NH1 2.99Å; E238-R330 PolarHBondContact OE2-NH1 3.45Å; E238-R330 IonicContact OE2-NH2 2.78Å; E238-R330 PolarHBondContact OE2-NH2 3.44Å
239H88Confident87.8Confident12 Ų1229.3 Ų29.36%0.05614%0.139CC..Hα-helixtrans-70.1-42.5176.7-58.1-56.7000110.5L41 H45 Y231 G236 H237 L241 H242 E243L41-H239 WeakPolarHBondContact CD1-CE1 3.41Å; L41-H239 WeakPolarHBondContact CD1-ND1 3.35Å; H45-H239 AromaticContact CD2-NE2 3.83Å; H45-H239 AromaticContact CE1-NE2 3.95Å; H45-H239 AromaticContact NE2-CD2 3.29Å; H45-H239 PolarHBondContact NE2-CD2 3.5Å; H45-H239 VanDerWaalsContact NE2-CD2 3.29Å; H45-H239 AromaticContact NE2-NE2 2.95Å; H45-H239 PolarHBondContact NE2-NE2 3.43Å; Y231-H239 HydrophobicContact CD1-CB 3.75Å; Y231-H239 HydrophobicContact CD2-CB 3.65Å; Y231-H239 HydrophobicContact CE1-CB 4.06Å; Y231-H239 HydrophobicContact CE2-CB 3.95Å; Y231-H239 HydrophobicContact CG-CB 3.55Å; G236-H239 WeakPolarHBondContact O-CA 3.15Å; G236-H239 WeakPolarHBondContact O-CB 3.39Å; G236-H239 PolarHBondContact O-N 3.11Å; H237-H239 VanDerWaalsContact C-N 3.31Å; H237-H239 PolarHBondContact O-N 3.2Å; H239-L241 VanDerWaalsContact C-N 3.31Å; H239-L241 PolarHBondContact O-N 3.17Å; H239-H242 WeakPolarHBondContact O-CB 3.39Å; H239-H242 PolarHBondContact O-N 3.09Å; H239-H242 VanDerWaalsContact O-N 3.12Å; H239-E243 WeakPolarHBondContact O-CG 3.42Å; H239-E243 PolarHBondContact O-N 3.44Å
240A89.4Confident88.3Confident0 Ų029.3 Ų29.30%014%0.14CC..Hα-helixtrans-58.4-43.9174.900000111.8A228 L232 G236 H237 H242 E243 Y244 I324A228-A240 HydrophobicContact CB-CB 4.28Å; A228-A240 WeakPolarHBondContact O-CB 3.45Å; L232-A240 HydrophobicContact CD2-CB 3.8Å; L232-A240 HydrophobicContact CG-CB 3.72Å; G236-A240 PolarHBondContact O-N 2.69Å; H237-A240 WeakPolarHBondContact O-CB 3.33Å; H237-A240 PolarHBondContact O-N 3.39Å; A240-H242 VanDerWaalsContact C-N 3.32Å; A240-H242 PolarHBondContact O-N 3.17Å; A240-E243 PolarHBondContact O-N 2.79Å; A240-Y244 VanDerWaalsContact O-CD2 3.28Å; A240-Y244 WeakPolarHBondContact O-CD2 3.41Å; A240-Y244 PolarHBondContact O-N 3.36Å; A240-I324 HydrophobicContact CB-CD1 4.07Å
241L89.7Confident88.7Confident0 Ų028.9 Ų28.90%014%0.138CC..Hα-helixtrans-62.8-40.6175.7-17562.7000111.8H237 H239 E243 Y244 R245 Q321 I324 L325H237-L241 PolarHBondContact O-N 3.12Å; H239-L241 VanDerWaalsContact C-N 3.31Å; H239-L241 PolarHBondContact O-N 3.17Å; L241-E243 PolarHBondContact O-N 3.28Å; L241-Y244 PolarHBondContact O-N 3.41Å; L241-R245 WeakPolarHBondContact O-CG 3.27Å; L241-R245 PolarHBondContact O-N 2.89Å; L241-Q321 HydrophobicContact CD1-CB 3.92Å; L241-Q321 HydrophobicContact CD1-CG 4.11Å; L241-I324 HydrophobicContact CB-CG2 3.8Å; L241-I324 HydrophobicContact CD1-CB 4.37Å; L241-I324 HydrophobicContact CD1-CG2 4.39Å; L241-L325 HydrophobicContact CD1-CG 4.29Å; L241-L325 HydrophobicContact CD2-CD2 3.63Å; L241-L325 HydrophobicContact CD2-CG 4.2Å
242H90.7Very high88.9Confident89 Ų8929.3 Ų29.341%0.41214%0.142SC..Hα-helixtrans-60-43.2176.8-176.862.4000112E238 H239 A240 Y244 R245 E246E238-H242 WeakPolarHBondContact O-CB 3.24Å; E238-H242 PolarHBondContact O-N 3.43Å; H239-H242 WeakPolarHBondContact O-CB 3.39Å; H239-H242 PolarHBondContact O-N 3.09Å; H239-H242 VanDerWaalsContact O-N 3.12Å; A240-H242 VanDerWaalsContact C-N 3.32Å; A240-H242 PolarHBondContact O-N 3.17Å; H242-Y244 VanDerWaalsContact C-N 3.34Å; H242-Y244 PolarHBondContact O-N 3.23Å; H242-R245 PolarHBondContact O-N 3.13Å; H242-R245 VanDerWaalsContact O-N 3.1Å; H242-E246 IonicContact CE1-OE1 3.17Å; H242-E246 IonicContact NE2-OE1 3.74Å; H242-E246 PolarHBondContact NE2-OE1 2.96Å; H242-E246 PolarHBondContact O-N 3.44Å
243E91.6Very high89.2Confident11 Ų1133.7 Ų33.75%0.05116%0.16CC..Hα-helixtrans-58-43.6176.6-65-50.9129.300112.6K224 L227 A228 Y231 H239 A240 L241 A247K224-E243 HydrophobicContact CD-CB 4.37Å; K224-E243 WeakPolarHBondContact CD-OE2 3.23Å; K224-E243 WeakPolarHBondContact CE-OE2 3.07Å; K224-E243 IonicContact NZ-OE2 2.67Å; K224-E243 PolarHBondContact NZ-OE2 2.59Å; L227-E243 HydrophobicContact CD2-CG 4.36Å; L227-E243 WeakPolarHBondContact CD2-OE2 3.2Å; L227-E243 HydrophobicContact CG-CG 4.26Å; A228-E243 HydrophobicContact CB-CB 3.92Å; A228-E243 HydrophobicContact CB-CG 4.31Å; Y231-E243 HydrophobicContact CD2-CG 3.74Å; Y231-E243 HydrophobicContact CE2-CG 3.67Å; Y231-E243 WeakPolarHBondContact CE2-OE1 3.4Å; H239-E243 WeakPolarHBondContact O-CG 3.42Å; H239-E243 PolarHBondContact O-N 3.44Å; A240-E243 PolarHBondContact O-N 2.79Å; L241-E243 PolarHBondContact O-N 3.28Å; E243-A247 WeakPolarHBondContact O-CB 3.47Å; E243-A247 PolarHBondContact O-N 3.5Å
244Y92.3Very high89.5Confident5 Ų533.1 Ų33.12%0.0216%0.16CC..Hα-helixtrans-69.6-34.4176-75.8-74.2000112.5E225 A228 A240 L241 H242 A247 T248 L317 R320 Q321 I324E225-Y244 HydrophobicContact CG-CE1 3.89Å; A228-Y244 HydrophobicContact CB-CD2 4.04Å; A228-Y244 HydrophobicContact CB-CE2 3.54Å; A240-Y244 VanDerWaalsContact O-CD2 3.28Å; A240-Y244 WeakPolarHBondContact O-CD2 3.41Å; A240-Y244 PolarHBondContact O-N 3.36Å; L241-Y244 PolarHBondContact O-N 3.41Å; H242-Y244 VanDerWaalsContact C-N 3.34Å; H242-Y244 PolarHBondContact O-N 3.23Å; Y244-A247 PolarHBondContact O-N 3.18Å; Y244-T248 PolarHBondContact O-N 3.47Å; Y244-T248 VanDerWaalsContact O-N 3.09Å; Y244-T248 PolarHBondContact O-OG1 3.08Å; Y244-L317 HydrophobicContact CD1-CD2 4.1Å; Y244-R320 HydrophobicContact CD1-CB 3.91Å; Y244-R320 HydrophobicContact CD1-CG 4.44Å; Y244-R320 HydrophobicContact CD2-CB 4.44Å; Y244-R320 HydrophobicContact CE1-CB 3.65Å; Y244-R320 HydrophobicContact CE1-CG 3.75Å; Y244-R320 HydrophobicContact CE2-CB 4.22Å; Y244-R320 HydrophobicContact CG-CB 4.3Å; Y244-Q321 PolarHBondContact O-NE2 2.95Å; Y244-Q321 VanDerWaalsContact O-NE2 3.12Å; Y244-I324 HydrophobicContact CD2-CD1 3.4Å; Y244-I324 VanDerWaalsContact CD2-CD1 3.4Å; Y244-I324 HydrophobicContact CE2-CD1 3.45Å; Y244-I324 VanDerWaalsContact CE2-CD1 3.45Å
245R91.7Very high89.7Confident92 Ų9233.1 Ų33.135%0.34716%0.16SC..Hα-helixtrans-65.4-45.5175.2-75.5178.2175.5174.1-0.7110.9L241 H242 A247 T248 E249 E333L241-R245 WeakPolarHBondContact O-CG 3.27Å; L241-R245 PolarHBondContact O-N 2.89Å; H242-R245 PolarHBondContact O-N 3.13Å; H242-R245 VanDerWaalsContact O-N 3.1Å; R245-A247 VanDerWaalsContact C-N 3.31Å; R245-A247 PolarHBondContact O-N 3.45Å; R245-T248 PolarHBondContact O-N 3.43Å; R245-E249 WeakPolarHBondContact O-CB 3.43Å; R245-E249 PolarHBondContact O-N 3.34Å; R245-E333 IonicContact CZ-OE2 2.94Å; R245-E333 IonicContact NH2-OE2 3.86Å; R245-E333 PolarHBondContact NH2-OE2 2.6Å
246E92.6Very high89.9Confident66 Ų6636.8 Ų36.831%0.30817%0.17SC..Hα-helixtrans-63.1-36.8175.5-73.2-162.6148.200112.4K224 H242 E249 L250K224-E246 IonicContact NZ-OE2 3.18Å; K224-E246 PolarHBondContact NZ-OE2 3.15Å; H242-E246 IonicContact CE1-OE1 3.17Å; H242-E246 IonicContact NE2-OE1 3.74Å; H242-E246 PolarHBondContact NE2-OE1 2.96Å; H242-E246 PolarHBondContact O-N 3.44Å; E246-E249 PolarHBondContact O-N 3.48Å; E246-L250 WeakPolarHBondContact O-CB 3.48Å; E246-L250 PolarHBondContact O-N 3.27Å
247A93.4Very high89.8Confident0 Ų038.6 Ų38.60%019%0.186CC..Hα-helixtrans-61.4-49.2174.100000111.7Y217 Y220 L221 K224 E243 Y244 R245 E249 L250 L251Y217-A247 PolarHBondContact OH-O 3.45Å; Y217-A247 VanDerWaalsContact OH-O 3.05Å; Y220-A247 HydrophobicContact CE1-CB 4.46Å; L221-A247 HydrophobicContact CD1-CB 4.12Å; K224-A247 HydrophobicContact CB-CB 4.48Å; K224-A247 HydrophobicContact CG-CB 4.45Å; E243-A247 WeakPolarHBondContact O-CB 3.47Å; E243-A247 PolarHBondContact O-N 3.5Å; Y244-A247 PolarHBondContact O-N 3.18Å; R245-A247 VanDerWaalsContact C-N 3.31Å; R245-A247 PolarHBondContact O-N 3.45Å; A247-E249 VanDerWaalsContact C-N 3.32Å; A247-E249 PolarHBondContact O-N 3.2Å; A247-L250 PolarHBondContact O-N 2.95Å; A247-L251 WeakPolarHBondContact O-CB 3.43Å; A247-L251 PolarHBondContact O-N 3.23Å
248T92.2Very high89.4Confident9 Ų937 Ų376%0.05518%0.181CC..Hα-helixtrans-61.2-39.8175.9-58.30000112.2Y244 R245 S252 Q321Y244-T248 PolarHBondContact O-N 3.47Å; Y244-T248 VanDerWaalsContact O-N 3.09Å; Y244-T248 PolarHBondContact O-OG1 3.08Å; R245-T248 PolarHBondContact O-N 3.43Å; T248-S252 PolarHBondContact O-N 3.46Å; T248-S252 VanDerWaalsContact O-N 3.11Å; T248-S252 PolarHBondContact O-OG 3.19Å; T248-Q321 PolarHBondContact OG1-NE2 3.05Å; T248-Q321 VanDerWaalsContact OG1-NE2 3.16Å
249E92.4Very high88.7Confident102 Ų10238.6 Ų38.648%0.47720%0.195SC..Hα-helixtrans-66.6-45.3178.4-169-176162.100111.7R245 E246 A247 L251 S252 K253R245-E249 WeakPolarHBondContact O-CB 3.43Å; R245-E249 PolarHBondContact O-N 3.34Å; E246-E249 PolarHBondContact O-N 3.48Å; A247-E249 VanDerWaalsContact C-N 3.32Å; A247-E249 PolarHBondContact O-N 3.2Å; E249-L251 PolarHBondContact O-N 3.42Å; E249-S252 PolarHBondContact O-N 3.29Å; E249-K253 HydrophobicContact CG-CD 4.46Å; E249-K253 WeakPolarHBondContact O-CG 3.48Å; E249-K253 PolarHBondContact O-N 3.22Å; E249-K253 WeakPolarHBondContact OE1-CE 3.15Å; E249-K253 IonicContact OE1-NZ 3.53Å; E249-K253 PolarHBondContact OE1-NZ 3.14Å
250L91.6Very high87.7Confident21 Ų2146.2 Ų46.211%0.1123%0.231CC..Hα-helixtrans-64.2-40.8177.5-172.667.3000111.5W215 Y220 E246 A247 S252 K253 C254W215-L250 HydrophobicContact CH2-CD2 4.25Å; W215-L250 HydrophobicContact CZ2-CD2 4.24Å; Y220-L250 HydrophobicContact CD1-CD2 3.78Å; Y220-L250 HydrophobicContact CD2-CD2 4.03Å; Y220-L250 HydrophobicContact CE1-CB 4.25Å; Y220-L250 HydrophobicContact CE1-CD2 3.41Å; Y220-L250 VanDerWaalsContact CE1-CD2 3.41Å; Y220-L250 HydrophobicContact CE1-CG 4.43Å; Y220-L250 HydrophobicContact CE2-CD2 3.67Å; Y220-L250 HydrophobicContact CG-CD2 4.06Å; E246-L250 WeakPolarHBondContact O-CB 3.48Å; E246-L250 PolarHBondContact O-N 3.27Å; A247-L250 PolarHBondContact O-N 2.95Å; L250-S252 VanDerWaalsContact C-N 3.32Å; L250-S252 PolarHBondContact O-N 3.47Å; L250-K253 PolarHBondContact O-N 3.24Å; L250-C254 WeakPolarHBondContact O-CB 3.33Å; L250-C254 PolarHBondContact O-N 3.38Å; L250-C254 PolarHBondContact O-SG 3.06Å
251L92.9Very high86.2Confident0 Ų051.1 Ų51.10%025%0.253CS..Hα-helixtrans-54.3-50.6173.7178.962000111.1Y217 A247 E249 K253 C254 I255 W268 L272 L313 K314 L317Y217-L251 HydrophobicContact CD1-CD1 4.07Å; Y217-L251 HydrophobicContact CD2-CB 4.44Å; Y217-L251 HydrophobicContact CD2-CD1 4.22Å; Y217-L251 HydrophobicContact CE1-CB 4.47Å; Y217-L251 HydrophobicContact CE1-CD1 3.98Å; Y217-L251 HydrophobicContact CE1-CD2 4.47Å; Y217-L251 HydrophobicContact CE2-CB 3.68Å; Y217-L251 HydrophobicContact CE2-CD1 4.14Å; Y217-L251 HydrophobicContact CE2-CG 4.46Å; Y217-L251 HydrophobicContact CG-CD1 4.2Å; A247-L251 WeakPolarHBondContact O-CB 3.43Å; A247-L251 PolarHBondContact O-N 3.23Å; E249-L251 PolarHBondContact O-N 3.42Å; L251-K253 PolarHBondContact O-N 3.02Å; L251-C254 PolarHBondContact O-N 3.34Å; L251-I255 HydrophobicContact CD1-CD1 3.92Å; L251-I255 HydrophobicContact CD1-CG1 4.36Å; L251-I255 HydrophobicContact CG-CD1 3.91Å; L251-I255 WeakPolarHBondContact O-CG1 3.43Å; L251-I255 PolarHBondContact O-N 3.07Å; L251-W268 HydrophobicContact CD1-CH2 4.16Å; L251-W268 HydrophobicContact CD1-CZ3 3.84Å; L251-L272 HydrophobicContact CD1-CD1 4.2Å; L251-L313 HydrophobicContact CD1-CD2 4.09Å; L251-L313 HydrophobicContact CD2-CD2 3.66Å; L251-L313 HydrophobicContact CD2-CG 4.15Å; L251-K314 HydrophobicContact CD2-CD 4.49Å; L251-L317 HydrophobicContact CD2-CD1 4.17Å
252S91.3Very high84.8Confident14 Ų1455.7 Ų55.710%0.09830%0.3CS..Hα-helixtrans-61.8-43.1-178.5-480000111.1T248 E249 L250 I255 Q256 E348T248-S252 PolarHBondContact O-N 3.46Å; T248-S252 VanDerWaalsContact O-N 3.11Å; T248-S252 PolarHBondContact O-OG 3.19Å; E249-S252 PolarHBondContact O-N 3.29Å; L250-S252 VanDerWaalsContact C-N 3.32Å; L250-S252 PolarHBondContact O-N 3.47Å; S252-I255 PolarHBondContact O-N 3.45Å; S252-Q256 VanDerWaalsContact O-CG 3.3Å; S252-Q256 WeakPolarHBondContact O-CG 3.4Å; S252-Q256 PolarHBondContact O-N 3.28Å; S252-E348 WeakPolarHBondContact CB-OE1 3.2Å; S252-E348 PolarHBondContact OG-OE1 3.46Å; S252-E348 VanDerWaalsContact OG-OE1 3.11Å
253K89.5Confident83.3Confident110 Ų11055 Ų5548%0.47831%0.306SS..Hα-helixtrans-61.6-45.3174.9-73.6174.2-176.9166.20112.3E249 L250 L251 Q256 A257E249-K253 HydrophobicContact CG-CD 4.46Å; E249-K253 WeakPolarHBondContact O-CG 3.48Å; E249-K253 PolarHBondContact O-N 3.22Å; E249-K253 WeakPolarHBondContact OE1-CE 3.15Å; E249-K253 IonicContact OE1-NZ 3.53Å; E249-K253 PolarHBondContact OE1-NZ 3.14Å; L250-K253 PolarHBondContact O-N 3.24Å; L251-K253 PolarHBondContact O-N 3.02Å; K253-Q256 PolarHBondContact O-N 3.11Å; K253-A257 WeakPolarHBondContact O-CB 2.97Å; K253-A257 PolarHBondContact O-N 3.34Å
254C88.1Confident82.2Confident21 Ų2163 Ų6314%0.14234%0.341CS..Hα-helixtrans-64-40.7178.6-72.70000111.9L250 L251 A257 S258 W268L250-C254 WeakPolarHBondContact O-CB 3.33Å; L250-C254 PolarHBondContact O-N 3.38Å; L250-C254 PolarHBondContact O-SG 3.06Å; L251-C254 PolarHBondContact O-N 3.34Å; C254-A257 PolarHBondContact O-N 2.91Å; C254-S258 PolarHBondContact O-N 3.14Å; C254-W268 HydrophobicContact CB-CH2 4.02Å; C254-W268 HydrophobicContact CB-CZ2 4.09Å
255I88.5Confident81.3Confident0 Ų066.8 Ų66.80%036%0.355CS..Hα-helixtrans-63.4-46.8175.6-68.4167.8000110.4L251 S252 A257 S258 L269 L310 E348 I351 L352L251-I255 HydrophobicContact CD1-CD1 3.92Å; L251-I255 HydrophobicContact CD1-CG1 4.36Å; L251-I255 HydrophobicContact CG-CD1 3.91Å; L251-I255 WeakPolarHBondContact O-CG1 3.43Å; L251-I255 PolarHBondContact O-N 3.07Å; S252-I255 PolarHBondContact O-N 3.45Å; I255-A257 PolarHBondContact O-N 2.72Å; I255-S258 WeakPolarHBondContact O-CB 3.29Å; I255-S258 PolarHBondContact O-N 3.5Å; I255-S258 PolarHBondContact O-OG 2.96Å; I255-L269 HydrophobicContact CG1-CD1 4Å; I255-L310 HydrophobicContact CD1-CD1 3.92Å; I255-E348 HydrophobicContact CB-CG 4.26Å; I255-E348 HydrophobicContact CD1-CB 4.26Å; I255-E348 HydrophobicContact CD1-CG 4.01Å; I255-E348 WeakPolarHBondContact CD1-OE2 3.47Å; I255-E348 HydrophobicContact CG2-CB 3.93Å; I255-E348 HydrophobicContact CG2-CG 3.81Å; I255-I351 HydrophobicContact CG2-CB 4.35Å; I255-I351 HydrophobicContact CG2-CG2 3.95Å; I255-I351 WeakPolarHBondContact O-CG2 3.49Å; I255-L352 HydrophobicContact CD1-CD1 4.35Å; I255-L352 HydrophobicContact CG1-CD1 4.33Å; I255-L352 HydrophobicContact CG2-CD1 3.96Å; I255-L352 HydrophobicContact CG2-CD2 3.99Å; I255-L352 HydrophobicContact CG2-CG 3.77Å
256Q84.8Confident80.8Confident101 Ų10163.7 Ų63.747%0.47235%0.347SS..Hα-helixtrans-61.1-43.4177.8-72.1172.8400112.6S252 K253 S258 T259 I351S252-Q256 VanDerWaalsContact O-CG 3.3Å; S252-Q256 WeakPolarHBondContact O-CG 3.4Å; S252-Q256 PolarHBondContact O-N 3.28Å; K253-Q256 PolarHBondContact O-N 3.11Å; Q256-S258 PolarHBondContact O-N 3.27Å; Q256-T259 WeakPolarHBondContact O-CB 3.36Å; Q256-T259 PolarHBondContact O-N 3.45Å; Q256-T259 PolarHBondContact O-OG1 3.36Å; Q256-I351 HydrophobicContact CG-CD1 3.9Å
257A83.1Confident80.3Confident39 Ų3967.2 Ų67.232%0.32236%0.363SS..Hα-helixtrans-62.1-27.1178.600000113.2K253 C254 I255 T259 Q260 Q261K253-A257 WeakPolarHBondContact O-CB 2.97Å; K253-A257 PolarHBondContact O-N 3.34Å; C254-A257 PolarHBondContact O-N 2.91Å; I255-A257 PolarHBondContact O-N 2.72Å; A257-T259 PolarHBondContact O-N 3.3Å; A257-T259 VanDerWaalsContact O-N 3.15Å; A257-Q260 PolarHBondContact O-N 3.49Å; A257-Q261 PolarHBondContact O-N 3.02Å
258S78.1Confident79.9Confident22 Ų2267.6 Ų67.615%0.15437%0.365CS..THydrogen-bonded Turntrans-61.8-21177.578.90000113.8C254 I255 Q256C254-S258 PolarHBondContact O-N 3.14Å; I255-S258 WeakPolarHBondContact O-CB 3.29Å; I255-S258 PolarHBondContact O-N 3.5Å; I255-S258 PolarHBondContact O-OG 2.96Å; Q256-S258 PolarHBondContact O-N 3.27Å
259T71.6Confident79.7Confident96 Ų9667.2 Ų67.259%0.58936%0.362SS*.THydrogen-bonded Turntrans-73.9-31.7175.1-330000112.6Q256 A257 I351Q256-T259 WeakPolarHBondContact O-CB 3.36Å; Q256-T259 PolarHBondContact O-N 3.45Å; Q256-T259 PolarHBondContact O-OG1 3.36Å; A257-T259 PolarHBondContact O-N 3.3Å; A257-T259 VanDerWaalsContact O-N 3.15Å; T259-I351 VanDerWaalsContact OG1-CG2 3.29Å; T259-I351 WeakPolarHBondContact OG1-CG2 3.29Å
260Q66Low79.2Confident173 Ų17365.3 Ų65.381%0.80836%0.355SS*.THydrogen-bonded Turntrans-84.3-29-173-64.1-178.8-2.100112.3A257 G262A257-Q260 PolarHBondContact O-N 3.49Å; Q260-G262 PolarHBondContact O-N 3.4Å
261Q59.1Low78.8Confident102 Ų10266.1 Ų66.148%0.47736%0.357SS..  trans-87.3104.8178.8-68.1-177.1-12.700109.1A257 S263A257-Q261 PolarHBondContact O-N 3.02Å; Q261-S263 PolarHBondContact O-N 3.22Å
262G59.6Low78.4Confident96 Ų9666.2 Ų66.299%0.9936%0.357SS*.  trans-64.117.3170.900000114.9Q260Q260-G262 PolarHBondContact O-N 3.4Å
263S59.7Low77.8Confident75 Ų7567.1 Ų67.152%0.52436%0.362SS..SBendtrans-95.5165.6178.655.40000111.9Q261 R265Q261-S263 PolarHBondContact O-N 3.22Å; S263-R265 PolarHBondContact O-N 2.49Å
264K67Low76.8Confident180 Ų18067.3 Ų67.378%0.78337%0.365SS*.PPolyproline II helixtrans-53.3134.8175.8-67.7-177.1177.8-1780111F213F213-K264 HydrophobicContact CE2-CB 3.96Å; F213-K264 WeakPolarHBondContact CE2-O 3.36Å
265R74.6Confident75.5Confident83 Ų8370 Ų7031%0.31338%0.378SS..PPolyproline II helixtrans-60.8142.1174-71.3178.3178.9175.3-5.1110.2F213 S263 D270 L352F213-R265 WeakPolarHBondContact CE2-O 3.31Å; S263-R265 PolarHBondContact O-N 2.49Å; R265-D270 VanDerWaalsContact CB-OD1 3.25Å; R265-D270 WeakPolarHBondContact CB-OD1 3.5Å; R265-L352 PolarHBondContact NH1-O 3.27Å; R265-L352 PolarHBondContact NH2-O 2.74Å
266P81.6Confident73.7Confident28 Ų2871.4 Ų71.418%0.18239%0.387CS..PPolyproline II helixtrans-69.4147.9177.227.8-32.8000111W268 L269 D270P266-W268 VanDerWaalsContact C-N 3.27Å; P266-W268 HydrophobicContact CG-CZ2 4.43Å; P266-W268 PolarHBondContact O-N 2.95Å; P266-W268 VanDerWaalsContact O-N 3.15Å; P266-L269 HydrophobicContact CG-CB 3.88Å; P266-L269 HydrophobicContact CG-CD2 4.39Å; P266-L269 WeakPolarHBondContact O-CB 3.21Å; P266-L269 PolarHBondContact O-N 3Å; P266-D270 PolarHBondContact O-N 2.96Å; P266-D270 VanDerWaalsContact O-N 3.17Å
267Q80.6Confident71.8Confident140 Ų14072.7 Ų72.765%0.65441%0.407SS*.Hα-helixtrans-59.6-31.7-171.4-172.2-177.213.500114.2L269 R271Q267-L269 VanDerWaalsContact C-N 3.3Å; Q267-R271 WeakPolarHBondContact O-CG 3.44Å; Q267-R271 PolarHBondContact O-N 3.39Å; Q267-R271 PolarHBondContact O-NE 3.47Å
268W86.4Confident69.8Low8 Ų872.9 Ų72.93%0.0341%0.407CS..Hα-helixtrans-67.3-33.2175.371.6-92.1000112.3W215 D216 Y217 F218 L251 C254 P266 R271 L272W215-W268 HydrophobicContact CE3-CZ2 4.36Å; W215-W268 AromaticContact CE3-NE1 3.71Å; W215-W268 AromaticContact CZ3-CE2 3.95Å; W215-W268 AromaticContact CZ3-CZ2 3.81Å; W215-W268 HydrophobicContact CZ3-CZ2 3.81Å; W215-W268 PolarHBondContact O-NE1 2.9Å; D216-W268 WeakPolarHBondContact OD1-CB 2.86Å; Y217-W268 VanDerWaalsContact CB-CE3 3.43Å; Y217-W268 HydrophobicContact CD1-CZ3 4.42Å; Y217-W268 HydrophobicContact CG-CE3 4.27Å; Y217-W268 HydrophobicContact CG-CH2 4.37Å; Y217-W268 HydrophobicContact CG-CZ3 4.02Å; F218-W268 HydrophobicContact CD2-CB 4.29Å; L251-W268 HydrophobicContact CD1-CH2 4.16Å; L251-W268 HydrophobicContact CD1-CZ3 3.84Å; C254-W268 HydrophobicContact CB-CH2 4.02Å; C254-W268 HydrophobicContact CB-CZ2 4.09Å; P266-W268 VanDerWaalsContact C-N 3.27Å; P266-W268 HydrophobicContact CG-CZ2 4.43Å; P266-W268 PolarHBondContact O-N 2.95Å; P266-W268 VanDerWaalsContact O-N 3.15Å; W268-R271 PolarHBondContact O-N 2.79Å; W268-L272 HydrophobicContact CE3-CD1 3.97Å; W268-L272 HydrophobicContact CZ3-CD1 3.63Å
269L87.1Confident68Low1 Ų178.5 Ų78.51%0.00544%0.435CS..Hα-helixtrans-75.3-39.8179.5-173.561000110.7I255 P266 Q267 R271 L272 T273 L352I255-L269 HydrophobicContact CG1-CD1 4Å; P266-L269 HydrophobicContact CG-CB 3.88Å; P266-L269 HydrophobicContact CG-CD2 4.39Å; P266-L269 WeakPolarHBondContact O-CB 3.21Å; P266-L269 PolarHBondContact O-N 3Å; Q267-L269 VanDerWaalsContact C-N 3.3Å; L269-R271 PolarHBondContact O-N 2.95Å; L269-L272 HydrophobicContact CD1-CD1 4.15Å; L269-L272 WeakPolarHBondContact O-CB 3.27Å; L269-L272 PolarHBondContact O-N 3.41Å; L269-T273 PolarHBondContact O-N 3.32Å; L269-L352 HydrophobicContact CD1-CD1 4.08Å; L269-L352 HydrophobicContact CD1-CD2 3.79Å; L269-L352 HydrophobicContact CD2-CD2 3.87Å; L269-L352 HydrophobicContact CG-CD2 3.94Å
270D82.2Confident66.7Low62 Ų6279.2 Ų79.233%0.33243%0.431SS..Hα-helixtrans-56.8-38.3173.9-70.4-22.2000111.4R265 P266 L272 T273 Q274R265-D270 VanDerWaalsContact CB-OD1 3.25Å; R265-D270 WeakPolarHBondContact CB-OD1 3.5Å; P266-D270 PolarHBondContact O-N 2.96Å; P266-D270 VanDerWaalsContact O-N 3.17Å; D270-L272 VanDerWaalsContact C-N 3.3Å; D270-L272 PolarHBondContact O-N 2.93Å; D270-T273 PolarHBondContact O-N 2.88Å; D270-T273 VanDerWaalsContact O-N 3.16Å; D270-T273 PolarHBondContact O-OG1 3.38Å; D270-Q274 PolarHBondContact O-N 3.44Å
271R83.4Confident65.7Low37 Ų3772.6 Ų72.614%0.1440%0.403CS..Hα-helixtrans-61.8-34.7175.8-71.2178.1-78.2164.6-4.9112.9D216 Q267 W268 L269 T273 R306D216-R271 IonicContact OD1-NH2 3.46Å; D216-R271 IonicContact OD2-NH2 2.91Å; D216-R271 PolarHBondContact OD2-NH2 3.48Å; D216-R271 VanDerWaalsContact OD2-NH2 3.17Å; Q267-R271 WeakPolarHBondContact O-CG 3.44Å; Q267-R271 PolarHBondContact O-N 3.39Å; Q267-R271 PolarHBondContact O-NE 3.47Å; W268-R271 PolarHBondContact O-N 2.79Å; L269-R271 PolarHBondContact O-N 2.95Å; R271-T273 VanDerWaalsContact C-N 3.3Å; R271-T273 PolarHBondContact O-N 3.12Å; R271-R306 VanDerWaalsContact CD-O 3.28Å; R271-R306 WeakPolarHBondContact CD-O 3.42Å; R271-R306 PolarHBondContact NH1-O 2.99Å
272L83.3Confident65.2Low2 Ų270.4 Ų70.41%0.0140%0.399CS..Hα-helixtrans-70.3-26.2176.9-63.7-178.6000113.1F218 L251 W268 L269 D270 A308 L310 L313F218-L272 HydrophobicContact CE2-CD2 4.4Å; F218-L272 HydrophobicContact CZ-CD2 3.88Å; L251-L272 HydrophobicContact CD1-CD1 4.2Å; W268-L272 HydrophobicContact CE3-CD1 3.97Å; W268-L272 HydrophobicContact CZ3-CD1 3.63Å; L269-L272 HydrophobicContact CD1-CD1 4.15Å; L269-L272 WeakPolarHBondContact O-CB 3.27Å; L269-L272 PolarHBondContact O-N 3.41Å; D270-L272 VanDerWaalsContact C-N 3.3Å; D270-L272 PolarHBondContact O-N 2.93Å; L272-A308 WeakPolarHBondContact CD2-O 3.24Å; L272-L310 HydrophobicContact CB-CB 4.42Å; L272-L310 PolarHBondContact O-N 3.46Å; L272-L310 VanDerWaalsContact O-N 3.08Å; L272-L313 HydrophobicContact CD1-CD2 4.11Å; L272-L313 HydrophobicContact CD2-CB 4.34Å; L272-L313 HydrophobicContact CD2-CD2 3.81Å
273T79.5Confident64.7Low33 Ų3366.6 Ų66.620%0.20236%0.355CS..Hα-helixtrans-83.5-15.8-17965.30000114L269 D270 R271 L275 L352 I354L269-T273 PolarHBondContact O-N 3.32Å; D270-T273 PolarHBondContact O-N 2.88Å; D270-T273 VanDerWaalsContact O-N 3.16Å; D270-T273 PolarHBondContact O-OG1 3.38Å; R271-T273 VanDerWaalsContact C-N 3.3Å; R271-T273 PolarHBondContact O-N 3.12Å; T273-L275 PolarHBondContact O-N 2.97Å; T273-L352 HydrophobicContact CG2-CB 4.08Å; T273-L352 HydrophobicContact CG2-CD1 4.32Å; T273-I354 HydrophobicContact CG2-CD1 4.32Å; T273-I354 HydrophobicContact CG2-CG1 4.02Å
274Q69.3Low64.3Low115 Ų11564.9 Ų64.954%0.53734%0.338SS..  trans-7197.1177.5-68.41763.700109D270 S276 T309D270-Q274 PolarHBondContact O-N 3.44Å; Q274-S276 PolarHBondContact O-N 2.95Å; Q274-S276 VanDerWaalsContact O-N 3.1Å; Q274-T309 WeakPolarHBondContact O-CG2 3.41Å
275L61.2Low63.6Low78 Ų7858.7 Ų58.741%0.40831%0.314SS..  trans-59.5116.5157-77.395000106T273 S277 I354 Q355 T356T273-L275 PolarHBondContact O-N 2.97Å; L275-S277 PolarHBondContact O-N 2.93Å; L275-I354 HydrophobicContact CD1-CG2 3.37Å; L275-I354 HydrophobicContact CG-CG2 4.43Å; L275-Q355 VanDerWaalsContact CD1-O 3.26Å; L275-Q355 WeakPolarHBondContact CD1-O 3.43Å; L275-T356 HydrophobicContact CD1-CG2 4.2Å; L275-T356 HydrophobicContact CD2-CG2 3.71Å; L275-T356 HydrophobicContact CG-CG2 4.29Å
276S50.4Low62.6Low28 Ų2854.7 Ų54.720%0.19630%0.299CS..  trans-52.1128.1-176.8-45.80000110.4Q274 S278 H283 R302Q274-S276 PolarHBondContact O-N 2.95Å; Q274-S276 VanDerWaalsContact O-N 3.1Å; S276-S278 VanDerWaalsContact CB-OG 3.31Å; S276-S278 WeakPolarHBondContact CB-OG 3.45Å; S276-S278 PolarHBondContact O-N 3.41Å; S276-S278 VanDerWaalsContact O-N 3.12Å; S276-H283 WeakPolarHBondContact CB-NE2 3.47Å; S276-H283 PolarHBondContact OG-CE1 3.42Å; S276-H283 PolarHBondContact OG-NE2 2.95Å; S276-R302 PolarHBondContact OG-NH1 3.31Å; S276-R302 PolarHBondContact OG-NH2 3.38Å
277S43.7Very low61.2Low128 Ų12857.4 Ų57.490%0.89531%0.312SS*.SBendtrans-65.4-6.8167.461.60000112.7L275L275-S277 PolarHBondContact O-N 2.93Å
278S40.7Very low60.1Low44 Ų4451.1 Ų51.131%0.30828%0.283SS..SBendtrans-82.4127.8179.159.20000110.2S276 E280S276-S278 VanDerWaalsContact CB-OG 3.31Å; S276-S278 WeakPolarHBondContact CB-OG 3.45Å; S276-S278 PolarHBondContact O-N 3.41Å; S276-S278 VanDerWaalsContact O-N 3.12Å; S278-E280 PolarHBondContact O-N 3.49Å
279N40.9Very low58.6Low140 Ų14052.1 Ų52.175%0.74929%0.291SS*.  trans-5623.8171.5-68.4-20.2000115.4V281N279-V281 PolarHBondContact O-N 2.95Å
280E43.9Very low56.9Low110 Ų11053.7 Ų53.751%0.51430%0.299SS..  trans-85.8106.2-177-67-172.4177.300110.1S278 S282 H283S278-E280 PolarHBondContact O-N 3.49Å; E280-S282 PolarHBondContact O-N 3.45Å; E280-H283 PolarHBondContact O-CD2 3.35Å
281V45.8Very low55.5Low34 Ų3454.6 Ų54.621%0.20630%0.304CS..G310 helixtrans-58-5.5172-173.50000112.8N279 H283 Y284 Y520 E523N279-V281 PolarHBondContact O-N 2.95Å; V281-H283 VanDerWaalsContact C-N 3.26Å; V281-H283 PolarHBondContact O-N 2.87Å; V281-Y284 HydrophobicContact CG1-CD2 4.31Å; V281-Y284 VanDerWaalsContact O-CD2 3.31Å; V281-Y284 WeakPolarHBondContact O-CD2 3.35Å; V281-Y284 PolarHBondContact O-N 2.86Å; V281-Y520 HydrophobicContact CG1-CD2 4.35Å; V281-Y520 HydrophobicContact CG2-CD2 4.38Å; V281-E523 HydrophobicContact CG1-CB 3.75Å; V281-E523 HydrophobicContact CG1-CG 4.36Å; V281-E523 HydrophobicContact CG2-CB 4.49Å; V281-E523 HydrophobicContact CG2-CG 4.43Å
282S48.9Very low53.9Low56 Ų5653.9 Ų53.939%0.39230%0.304SS..G310 helixtrans-67.8-21.2-177.857.10000113.9E280 Y284 V285E280-S282 PolarHBondContact O-N 3.45Å; S282-Y284 PolarHBondContact O-N 3.43Å; S282-V285 PolarHBondContact O-N 2.93Å
283H49.2Very low52Low17 Ų1757.7 Ų57.78%0.07933%0.327CS..G310 helixtrans-63.2-26.6179.4-61.3-45.7000113.7S276 E280 V281 R302 E312S276-H283 WeakPolarHBondContact CB-NE2 3.47Å; S276-H283 PolarHBondContact OG-CE1 3.42Å; S276-H283 PolarHBondContact OG-NE2 2.95Å; E280-H283 PolarHBondContact O-CD2 3.35Å; V281-H283 VanDerWaalsContact C-N 3.26Å; V281-H283 PolarHBondContact O-N 2.87Å; H283-R302 PolarHBondContact CE1-NH1 2.77Å; H283-E312 IonicContact CE1-OE1 2.85Å; H283-E312 PolarHBondContact CE1-OE1 3.38Å; H283-E312 IonicContact CG-OE1 3.92Å; H283-E312 IonicContact ND1-OE1 3.97Å; H283-E312 PolarHBondContact ND1-OE1 3.09Å
284Y51.5Low50.3Low39 Ų3958.8 Ų58.815%0.15333%0.332CS..THydrogen-bonded Turntrans-87.5-28.1-174.7-55.9-87.3000113V281 S282 C286 F360 Y520V281-Y284 HydrophobicContact CG1-CD2 4.31Å; V281-Y284 VanDerWaalsContact O-CD2 3.31Å; V281-Y284 WeakPolarHBondContact O-CD2 3.35Å; V281-Y284 PolarHBondContact O-N 2.86Å; S282-Y284 PolarHBondContact O-N 3.43Å; Y284-C286 PolarHBondContact O-N 3.46Å; Y284-F360 HydrophobicContact CD1-CD2 4.11Å; Y284-F360 AromaticContact CD1-CE2 3.81Å; Y284-F360 HydrophobicContact CD1-CE2 3.81Å; Y284-F360 HydrophobicContact CD1-CZ 4.26Å; Y284-F360 AromaticContact CE1-CD2 3.13Å; Y284-F360 HydrophobicContact CE1-CD2 3.13Å; Y284-F360 AromaticContact CE1-CE2 3.06Å; Y284-F360 HydrophobicContact CE1-CE2 3.06Å; Y284-F360 HydrophobicContact CE1-CG 4.03Å; Y284-F360 AromaticContact CE1-CZ 3.94Å; Y284-F360 HydrophobicContact CE1-CZ 3.94Å; Y284-F360 AromaticContact CZ-CD2 3.67Å; Y284-F360 AromaticContact CZ-CE2 3.47Å; Y284-F360 VanDerWaalsContact CZ-CE2 3.47Å; Y284-F360 WeakPolarHBondContact OH-CD2 3.27Å; Y284-Y520 AromaticContact CD1-CE2 3.92Å; Y284-Y520 HydrophobicContact CD1-CE2 3.92Å; Y284-Y520 WeakPolarHBondContact CD1-OH 3.23Å; Y284-Y520 HydrophobicContact CD2-CD2 4.19Å; Y284-Y520 AromaticContact CD2-CE2 3.49Å; Y284-Y520 HydrophobicContact CD2-CE2 3.49Å; Y284-Y520 VanDerWaalsContact CD2-CE2 3.49Å; Y284-Y520 AromaticContact CE1-CE2 3.5Å; Y284-Y520 HydrophobicContact CE1-CE2 3.5Å; Y284-Y520 AromaticContact CE1-CZ 3.49Å; Y284-Y520 VanDerWaalsContact CE1-CZ 3.49Å; Y284-Y520 WeakPolarHBondContact CE1-OH 3.22Å; Y284-Y520 AromaticContact CE2-CD2 3.68Å; Y284-Y520 HydrophobicContact CE2-CD2 3.68Å; Y284-Y520 AromaticContact CE2-CE2 3.11Å; Y284-Y520 HydrophobicContact CE2-CE2 3.11Å; Y284-Y520 AromaticContact CE2-CZ 3.96Å; Y284-Y520 AromaticContact CG-CE2 3.89Å; Y284-Y520 HydrophobicContact CG-CE2 3.89Å; Y284-Y520 AromaticContact CZ-CD2 3.96Å; Y284-Y520 AromaticContact CZ-CE2 3.11Å; Y284-Y520 AromaticContact CZ-CZ 3.44Å; Y284-Y520 VanDerWaalsContact CZ-CZ 3.44Å
285V50.6Low49Very low49 Ų4954.9 Ų54.930%0.29732%0.316SS..  trans-78.293.4-170.9-172.40000108.4S282 D287 Q299 I527S282-V285 PolarHBondContact O-N 2.93Å; V285-D287 VanDerWaalsContact C-N 3.34Å; V285-D287 HydrophobicContact CG1-CB 4.27Å; V285-D287 PolarHBondContact O-N 3.42Å; V285-D287 VanDerWaalsContact O-N 3.07Å; V285-Q299 PolarHBondContact O-NE2 3.21Å; V285-I527 HydrophobicContact CG2-CD1 3.81Å
286C54.6Low48.1Very low0 Ų058.2 Ų58.20%033%0.329CS..  trans-6898.8159.1-56.50000105.8Y284 Y288 N315 I368 N371 Y531Y284-C286 PolarHBondContact O-N 3.46Å; C286-Y288 HydrophobicContact CB-CE1 4.45Å; C286-Y288 HydrophobicContact CB-CE2 4.39Å; C286-N315 PolarHBondContact SG-ND2 3.45Å; C286-N315 PolarHBondContact SG-OD1 3.02Å; C286-I368 HydrophobicContact CB-CG1 4.45Å; C286-I368 VanDerWaalsContact SG-CG1 3.54Å; C286-N371 PolarHBondContact O-ND2 2.97Å; C286-Y531 PolarHBondContact O-OH 3.16Å
287D52.7Low48Very low85 Ų8557.3 Ų57.346%0.45532%0.322SS..  trans-102.4110.6166.4-168.40.1000106.4V285V285-D287 VanDerWaalsContact C-N 3.34Å; V285-D287 HydrophobicContact CG1-CB 4.27Å; V285-D287 PolarHBondContact O-N 3.42Å; V285-D287 VanDerWaalsContact O-N 3.07Å
288Y57Low47.9Very low8 Ų859.8 Ų59.83%0.03132%0.317CS..  trans-97101.2-178.2-68.8-45.3000105.4C286 L290 L318 F334 I368 N371 N375C286-Y288 HydrophobicContact CB-CE1 4.45Å; C286-Y288 HydrophobicContact CB-CE2 4.39Å; Y288-L290 PolarHBondContact O-N 3.24Å; Y288-L318 HydrophobicContact CE1-CB 4.28Å; Y288-L318 HydrophobicContact CE1-CD2 4.21Å; Y288-L318 HydrophobicContact CE1-CG 4.03Å; Y288-L318 WeakPolarHBondContact OH-CD2 3.43Å; Y288-F334 HydrophobicContact CD2-CE1 4.43Å; Y288-F334 AromaticContact CD2-CZ 3.87Å; Y288-F334 HydrophobicContact CD2-CZ 3.87Å; Y288-F334 AromaticContact CE2-CZ 3.98Å; Y288-F334 HydrophobicContact CE2-CZ 3.98Å; Y288-F334 HydrophobicContact CG-CZ 4.34Å; Y288-I368 WeakPolarHBondContact OH-CG1 3.04Å; Y288-N371 WeakPolarHBondContact CB-ND2 3.47Å; Y288-N371 HydrophobicContact CD2-CB 3.64Å; Y288-N371 WeakPolarHBondContact CD2-ND2 3.38Å; Y288-N371 HydrophobicContact CE2-CB 3.75Å; Y288-N371 VanDerWaalsContact CG-ND2 3.29Å; Y288-N371 PolarHBondContact N-ND2 3.31Å; Y288-N375 WeakPolarHBondContact CB-ND2 3.47Å
289S54.8Low48.4Very low28 Ų2858.6 Ų58.620%0.19631%0.306CS..  trans-80114.6167.3-159.80000107.8D291 N294S289-D291 PolarHBondContact O-N 3.44Å; S289-N294 PolarHBondContact OG-ND2 3.5Å
290L52Low49.1Very low35 Ų3552.8 Ų52.818%0.18328%0.277CS..  trans-69.4-11.9169.1-65.6177.7000112Y288 V292 A322 C326 L331 N375Y288-L290 PolarHBondContact O-N 3.24Å; L290-V292 PolarHBondContact O-N 3Å; L290-V292 VanDerWaalsContact O-N 3.14Å; L290-A322 HydrophobicContact CD2-CB 4.4Å; L290-C326 HydrophobicContact CD2-CB 4.2Å; L290-L331 HydrophobicContact CD2-CD2 4.39Å; L290-N375 HydrophobicContact CD1-CB 3.98Å; L290-N375 WeakPolarHBondContact CD1-OD1 3.22Å; L290-N375 HydrophobicContact CD2-CB 4.22Å; L290-N375 HydrophobicContact CG-CB 4.27Å; L290-N375 WeakPolarHBondContact CG-OD1 3.49Å
291D51.6Low49.9Very low80 Ų8050.9 Ų50.943%0.42828%0.276SS..  trans-73.4104173.4-173.6-4.5000110.5S289 T293 N294S289-D291 PolarHBondContact O-N 3.44Å; D291-T293 VanDerWaalsContact CG-OG1 3.28Å; D291-T293 PolarHBondContact O-N 3.48Å; D291-T293 WeakPolarHBondContact OD1-CA 3.39Å; D291-T293 WeakPolarHBondContact OD1-CB 3.41Å; D291-T293 PolarHBondContact OD1-N 3.26Å; D291-T293 PolarHBondContact OD1-OG1 3.34Å; D291-T293 PolarHBondContact OD2-OG1 3.44Å; D291-N294 HydrophobicContact CB-CB 3.94Å; D291-N294 WeakPolarHBondContact O-CB 3.48Å; D291-N294 PolarHBondContact O-N 3.47Å
292V50.4Low50.7Low23 Ų2351.6 Ų51.614%0.13927%0.274CS..THydrogen-bonded Turntrans-61.1-25.3178.5-173.50000112L232 L290 N294 S323 I327L232-V292 HydrophobicContact CD1-CG1 3.82Å; L290-V292 PolarHBondContact O-N 3Å; L290-V292 VanDerWaalsContact O-N 3.14Å; V292-N294 VanDerWaalsContact C-N 3.34Å; V292-S323 VanDerWaalsContact CG2-O 3.26Å; V292-S323 WeakPolarHBondContact CG2-O 3.28Å; V292-I327 HydrophobicContact CB-CD1 3.77Å; V292-I327 HydrophobicContact CG1-CD1 3.97Å; V292-I327 HydrophobicContact CG2-CD1 3.16Å; V292-I327 HydrophobicContact CG2-CG1 3.61Å
293T42.4Very low51.9Low82 Ų8249.7 Ų49.750%0.50326%0.26SS..THydrogen-bonded Turntrans-81.3-16.4179.674.40000113.1L5 D291 T295L5-T293 HydrophobicContact CD1-CG2 3.77Å; D291-T293 VanDerWaalsContact CG-OG1 3.28Å; D291-T293 PolarHBondContact O-N 3.48Å; D291-T293 WeakPolarHBondContact OD1-CA 3.39Å; D291-T293 WeakPolarHBondContact OD1-CB 3.41Å; D291-T293 PolarHBondContact OD1-N 3.26Å; D291-T293 PolarHBondContact OD1-OG1 3.34Å; D291-T293 PolarHBondContact OD2-OG1 3.44Å; T293-T295 VanDerWaalsContact C-N 3.28Å; T293-T295 PolarHBondContact O-N 3.04Å
294N45.5Very low52.9Low55 Ų5553.7 Ų53.729%0.29428%0.277SS..  trans-75.984.4-178.7-158.2-0.5000109.9S289 D291 V292 E296S289-N294 PolarHBondContact OG-ND2 3.5Å; D291-N294 HydrophobicContact CB-CB 3.94Å; D291-N294 WeakPolarHBondContact O-CB 3.48Å; D291-N294 PolarHBondContact O-N 3.47Å; V292-N294 VanDerWaalsContact C-N 3.34Å; N294-E296 PolarHBondContact O-N 3.47Å; N294-E296 WeakPolarHBondContact OD1-CB 3.24Å; N294-E296 PolarHBondContact OD1-N 3.21Å
295T42.1Very low54Low33 Ų3357.2 Ų57.220%0.20230%0.299CS..  trans-65.7-14.5173.155.10000112F3 T293 I297F3-T295 HydrophobicContact CB-CG2 4.39Å; F3-T295 HydrophobicContact CD2-CG2 4.42Å; T293-T295 VanDerWaalsContact C-N 3.28Å; T293-T295 PolarHBondContact O-N 3.04Å; T295-I297 PolarHBondContact O-N 3.26Å
296E41.9Very low55.4Low148 Ų14858.2 Ų58.269%0.69230%0.297SS*.  trans-86.640.5174.2-57.7-172.817100112.2N294 K298N294-E296 PolarHBondContact O-N 3.47Å; N294-E296 WeakPolarHBondContact OD1-CB 3.24Å; N294-E296 PolarHBondContact OD1-N 3.21Å; E296-K298 VanDerWaalsContact C-N 3.31Å; E296-K298 PolarHBondContact O-N 2.97Å
297I47.5Very low56.5Low10 Ų1062 Ų625%0.05132%0.317CS..  trans-53.8110.4155.3-56.5178.1000104.4T295 Q299 S300 Y316T295-I297 PolarHBondContact O-N 3.26Å; I297-Q299 HydrophobicContact CG2-CB 4.02Å; I297-Q299 HydrophobicContact CG2-CG 4.27Å; I297-Q299 PolarHBondContact O-N 3.41Å; I297-S300 WeakPolarHBondContact O-CB 3.43Å; I297-S300 PolarHBondContact O-N 3.4Å; I297-S300 PolarHBondContact O-OG 3.45Å; I297-Y316 HydrophobicContact CD1-CD2 3.96Å; I297-Y316 HydrophobicContact CD1-CE2 3.87Å; I297-Y316 HydrophobicContact CG2-CD2 4.43Å
298K42.3Very low57.8Low179 Ų17957.9 Ų57.978%0.77830%0.295SS*.THydrogen-bonded Turntrans-53.9-21.4-171.9-72.8172.8179.3164.70112.5E296 S300E296-K298 VanDerWaalsContact C-N 3.31Å; E296-K298 PolarHBondContact O-N 2.97Å; K298-S300 PolarHBondContact O-N 2.85Å
299Q51.2Low59Low20 Ų2057.9 Ų57.99%0.09330%0.296CS..THydrogen-bonded Turntrans-69.5-7.9173.3-56.9176.5-3.900114V285 I297 S301V285-Q299 PolarHBondContact O-NE2 3.21Å; I297-Q299 HydrophobicContact CG2-CB 4.02Å; I297-Q299 HydrophobicContact CG2-CG 4.27Å; I297-Q299 PolarHBondContact O-N 3.41Å; Q299-S301 PolarHBondContact O-N 2.87Å
300S56.3Low60.4Low18 Ų1856.6 Ų56.613%0.12629%0.287CS..Hα-helixtrans-73.9-21.8-168.379.50000115.2I297 K298 R302 L303 K304I297-S300 WeakPolarHBondContact O-CB 3.43Å; I297-S300 PolarHBondContact O-N 3.4Å; I297-S300 PolarHBondContact O-OG 3.45Å; K298-S300 PolarHBondContact O-N 2.85Å; S300-R302 PolarHBondContact O-N 2.92Å; S300-L303 PolarHBondContact O-N 3.07Å; S300-K304 WeakPolarHBondContact O-CB 3.32Å; S300-K304 WeakPolarHBondContact O-CD 3.32Å; S300-K304 WeakPolarHBondContact O-CG 3.46Å; S300-K304 PolarHBondContact O-N 3.39Å; S300-K304 VanDerWaalsContact OG-CE 3.3Å; S300-K304 WeakPolarHBondContact OG-CE 2.9Å; S300-K304 PolarHBondContact OG-NZ 2.72Å
301S59.7Low61.9Low70 Ų7055.3 Ų55.349%0.4928%0.28SS..Hα-helixtrans-64.9-43-174.761.80000111.9Q299 K304 N305Q299-S301 PolarHBondContact O-N 2.87Å; S301-K304 PolarHBondContact O-N 3.25Å; S301-N305 WeakPolarHBondContact O-CB 2.98Å; S301-N305 PolarHBondContact O-N 3.28Å; S301-N305 PolarHBondContact O-ND2 3.29Å
302R63.1Low63.2Low48 Ų4851.8 Ų51.818%0.18126%0.261CS..Hα-helixtrans-72.2-38.2177.5-67.1-171.666.9150.8-14.2112.7S276 H283 S300 N305 R306 N307 E312S276-R302 PolarHBondContact OG-NH1 3.31Å; S276-R302 PolarHBondContact OG-NH2 3.38Å; H283-R302 PolarHBondContact CE1-NH1 2.77Å; S300-R302 PolarHBondContact O-N 2.92Å; R302-N305 CarbonylContact O-C 3.53Å; R302-N305 PolarHBondContact O-N 3.04Å; R302-R306 PolarHBondContact O-N 3.43Å; R302-N307 PolarHBondContact NE-O 2.99Å; R302-N307 PolarHBondContact NH2-O 2.91Å; R302-N307 PolarHBondContact O-N 2.91Å; R302-E312 IonicContact NE-OE2 2.92Å
303L73.7Confident65Low17 Ų1750.7 Ų50.79%0.08925%0.254CS..Hα-helixtrans-61-45.6171.9-75.3157.3000111.1F218 S300 N305 R306 A308 L313 Y316F218-L303 HydrophobicContact CE1-CD2 4.22Å; S300-L303 PolarHBondContact O-N 3.07Å; L303-N305 VanDerWaalsContact C-N 3.29Å; L303-N305 PolarHBondContact O-N 3.21Å; L303-R306 WeakPolarHBondContact O-CA 3.27Å; L303-R306 PolarHBondContact O-N 3.39Å; L303-A308 HydrophobicContact CD2-CB 3.59Å; L303-A308 HydrophobicContact CG-CB 3.83Å; L303-L313 HydrophobicContact CD2-CB 4.41Å; L303-L313 HydrophobicContact CD2-CD1 3.81Å; L303-Y316 HydrophobicContact CD1-CD1 3.91Å; L303-Y316 HydrophobicContact CD1-CD2 3.59Å; L303-Y316 HydrophobicContact CD1-CE2 4.26Å; L303-Y316 HydrophobicContact CD1-CG 3.38Å; L303-Y316 HydrophobicContact CD2-CD1 4.43Å
304K70.1Confident67.1Low100 Ų10046.8 Ų46.844%0.43523%0.23SC..Hα-helixtrans-60.7-38.3174.8-75.1166.8-176.61690111.9S300 S301 R306S300-K304 WeakPolarHBondContact O-CB 3.32Å; S300-K304 WeakPolarHBondContact O-CD 3.32Å; S300-K304 WeakPolarHBondContact O-CG 3.46Å; S300-K304 PolarHBondContact O-N 3.39Å; S300-K304 VanDerWaalsContact OG-CE 3.3Å; S300-K304 WeakPolarHBondContact OG-CE 2.9Å; S300-K304 PolarHBondContact OG-NZ 2.72Å; S301-K304 PolarHBondContact O-N 3.25Å; K304-R306 PolarHBondContact O-N 2.98Å
305N74.4Confident68.8Low114 Ų11444.2 Ų44.261%0.6122%0.217SC*.THydrogen-bonded Turntrans-82.73.7176.2-65.5-15.1000113.3S301 R302 L303 N307S301-N305 WeakPolarHBondContact O-CB 2.98Å; S301-N305 PolarHBondContact O-N 3.28Å; S301-N305 PolarHBondContact O-ND2 3.29Å; R302-N305 CarbonylContact O-C 3.53Å; R302-N305 PolarHBondContact O-N 3.04Å; L303-N305 VanDerWaalsContact C-N 3.29Å; L303-N305 PolarHBondContact O-N 3.21Å; N305-N307 PolarHBondContact O-N 2.84Å; N305-N307 PolarHBondContact O-OD1 3.05Å
306R80.2Confident70.8Confident70 Ų7043.3 Ų43.326%0.26421%0.21SC..THydrogen-bonded Turntrans53.532-177.1-53.4-176.2173.2-170.80.2114D216 F218 D222 R271 R302 L303 K304D216-R306 IonicContact OD2-CZ 2.79Å; D216-R306 IonicContact OD2-NH1 3.13Å; D216-R306 PolarHBondContact OD2-NH1 3.43Å; F218-R306 HydrophobicContact CB-CB 4.36Å; F218-R306 HydrophobicContact CB-CG 3.87Å; F218-R306 HydrophobicContact CD2-CB 4.07Å; F218-R306 HydrophobicContact CD2-CG 4.49Å; F218-R306 HydrophobicContact CG-CB 4.08Å; F218-R306 HydrophobicContact CG-CG 4.06Å; D222-R306 IonicContact OD2-CZ 3.79Å; D222-R306 IonicContact OD2-NE 4Å; D222-R306 IonicContact OD2-NH2 2.85Å; D222-R306 PolarHBondContact OD2-NH2 3Å; R271-R306 VanDerWaalsContact CD-O 3.28Å; R271-R306 WeakPolarHBondContact CD-O 3.42Å; R271-R306 PolarHBondContact NH1-O 2.99Å; R302-R306 PolarHBondContact O-N 3.43Å; L303-R306 WeakPolarHBondContact O-CA 3.27Å; L303-R306 PolarHBondContact O-N 3.39Å; K304-R306 PolarHBondContact O-N 2.98Å
307N78.1Confident73.1Confident78 Ų7836.3 Ų36.342%0.41718%0.177SC..  trans-120.831.1-179.1-70.2-12000111.5R302 N305R302-N307 PolarHBondContact NE-O 2.99Å; R302-N307 PolarHBondContact NH2-O 2.91Å; R302-N307 PolarHBondContact O-N 2.91Å; N305-N307 PolarHBondContact O-N 2.84Å; N305-N307 PolarHBondContact O-OD1 3.05Å
308A80.4Confident74.9Confident0 Ų035.9 Ų35.90%018%0.175CC..  trans-77.6150.3179.100000111.5F218 L272 L303 E312F218-A308 HydrophobicContact CE1-CB 4.42Å; F218-A308 HydrophobicContact CZ-CB 4.35Å; L272-A308 WeakPolarHBondContact CD2-O 3.24Å; L303-A308 HydrophobicContact CD2-CB 3.59Å; L303-A308 HydrophobicContact CG-CB 3.83Å; A308-E312 VanDerWaalsContact CA-OE2 3.27Å; A308-E312 WeakPolarHBondContact CA-OE2 3.49Å; A308-E312 HydrophobicContact CB-CB 4.22Å
309T80.9Confident76.9Confident8 Ų827.4 Ų27.45%0.04914%0.138CC..  trans-79165.8167.968.10000111.1Q274 F311 E312 L313Q274-T309 WeakPolarHBondContact O-CG2 3.41Å; T309-F311 VanDerWaalsContact C-N 3.28Å; T309-F311 PolarHBondContact O-N 2.59Å; T309-E312 PolarHBondContact N-OE2 2.87Å; T309-E312 PolarHBondContact O-N 3.24Å; T309-E312 WeakPolarHBondContact OG1-CG 3.39Å; T309-E312 PolarHBondContact OG1-N 2.88Å; T309-L313 PolarHBondContact O-N 3.41Å
310L85.9Confident78.5Confident1 Ų126.9 Ų26.91%0.00514%0.135CC..Hα-helixtrans-54.7-44.3173.4-179.163.2000112.2I255 L272 L313 K314 T345 E348 I349 L352 I354I255-L310 HydrophobicContact CD1-CD1 3.92Å; L272-L310 HydrophobicContact CB-CB 4.42Å; L272-L310 PolarHBondContact O-N 3.46Å; L272-L310 VanDerWaalsContact O-N 3.08Å; L310-L313 PolarHBondContact O-N 3.45Å; L310-K314 HydrophobicContact CD1-CG 4.17Å; L310-K314 HydrophobicContact CG-CG 4.43Å; L310-K314 WeakPolarHBondContact O-CB 3.1Å; L310-K314 VanDerWaalsContact O-CG 3.28Å; L310-K314 WeakPolarHBondContact O-CG 3.47Å; L310-K314 PolarHBondContact O-N 3.18Å; L310-T345 HydrophobicContact CD2-CG2 4.19Å; L310-T345 HydrophobicContact CG-CG2 4.28Å; L310-E348 HydrophobicContact CD2-CB 4.08Å; L310-I349 HydrophobicContact CD2-CG1 3.95Å; L310-L352 HydrophobicContact CD2-CD1 4.28Å; L310-I354 HydrophobicContact CB-CD1 4.24Å; L310-I354 HydrophobicContact CD2-CD1 3.92Å
311F81.6Confident80Confident7 Ų726.1 Ų26.13%0.03113%0.13CC..Hα-helixtrans-63.7-45.7179.9-64-77.8000112.1T309 L313 K314 N315 T345 I349 T356 F360 W364T309-F311 VanDerWaalsContact C-N 3.28Å; T309-F311 PolarHBondContact O-N 2.59Å; F311-L313 VanDerWaalsContact C-N 3.33Å; F311-L313 PolarHBondContact O-N 3.43Å; F311-K314 PolarHBondContact O-N 2.86Å; F311-N315 VanDerWaalsContact O-CB 3.27Å; F311-N315 WeakPolarHBondContact O-CB 3.23Å; F311-N315 PolarHBondContact O-N 2.88Å; F311-N315 PolarHBondContact O-ND2 3.12Å; F311-N315 PolarHBondContact O-OD1 2.95Å; F311-T345 HydrophobicContact CD1-CG2 4.18Å; F311-T345 HydrophobicContact CE1-CG2 4.15Å; F311-I349 HydrophobicContact CE1-CD1 3.51Å; F311-I349 HydrophobicContact CE2-CD1 4.23Å; F311-I349 HydrophobicContact CZ-CD1 3.24Å; F311-I349 HydrophobicContact CZ-CG1 3.99Å; F311-T356 HydrophobicContact CE2-CG2 3.85Å; F311-T356 HydrophobicContact CZ-CG2 4.1Å; F311-F360 AromaticContact CD1-CE1 3.92Å; F311-F360 HydrophobicContact CD1-CE1 3.92Å; F311-F360 AromaticContact CD2-CE1 3.64Å; F311-F360 HydrophobicContact CD2-CE1 3.64Å; F311-F360 AromaticContact CD2-CZ 3.75Å; F311-F360 HydrophobicContact CD2-CZ 3.75Å; F311-F360 HydrophobicContact CE1-CD1 4.3Å; F311-F360 AromaticContact CE1-CE1 3.59Å; F311-F360 HydrophobicContact CE1-CE1 3.59Å; F311-F360 HydrophobicContact CE2-CD1 4.14Å; F311-F360 AromaticContact CE2-CE1 3.3Å; F311-F360 HydrophobicContact CE2-CE1 3.3Å; F311-F360 AromaticContact CE2-CZ 3.78Å; F311-F360 HydrophobicContact CE2-CZ 3.78Å; F311-F360 AromaticContact CG-CE1 3.93Å; F311-F360 HydrophobicContact CG-CE1 3.93Å; F311-F360 HydrophobicContact CG-CZ 4.15Å; F311-F360 AromaticContact CZ-CD1 3.84Å; F311-F360 HydrophobicContact CZ-CD1 3.84Å; F311-F360 AromaticContact CZ-CE1 3.25Å; F311-F360 HydrophobicContact CZ-CE1 3.25Å; F311-F360 HydrophobicContact CZ-CZ 4.19Å; F311-W364 AromaticContact CD1-CD2 3.7Å; F311-W364 HydrophobicContact CD1-CD2 3.7Å; F311-W364 AromaticContact CD1-CE2 3.57Å; F311-W364 HydrophobicContact CD1-CE3 4.23Å; F311-W364 AromaticContact CD1-CG 3.98Å; F311-W364 HydrophobicContact CD1-CG 3.98Å; F311-W364 HydrophobicContact CD1-CH2 4.49Å; F311-W364 AromaticContact CD1-CZ2 3.97Å; F311-W364 HydrophobicContact CD1-CZ2 3.97Å; F311-W364 AromaticContact CD1-NE1 3.82Å; F311-W364 AromaticContact CE1-CD2 3.94Å; F311-W364 HydrophobicContact CE1-CD2 3.94Å; F311-W364 HydrophobicContact CE1-CE3 4.08Å; F311-W364 HydrophobicContact CE1-CG 4.29Å; F311-W364 HydrophobicContact CE1-CZ3 4.49Å
312E80.4Confident81.2Confident6 Ų622.8 Ų22.83%0.02811%0.106CC..Hα-helixtrans-60.4-43.7177.1-72.6174.6148.300111.6H283 R302 A308 T309 Y316H283-E312 IonicContact CE1-OE1 2.85Å; H283-E312 PolarHBondContact CE1-OE1 3.38Å; H283-E312 IonicContact CG-OE1 3.92Å; H283-E312 IonicContact ND1-OE1 3.97Å; H283-E312 PolarHBondContact ND1-OE1 3.09Å; R302-E312 IonicContact NE-OE2 2.92Å; A308-E312 VanDerWaalsContact CA-OE2 3.27Å; A308-E312 WeakPolarHBondContact CA-OE2 3.49Å; A308-E312 HydrophobicContact CB-CB 4.22Å; T309-E312 PolarHBondContact N-OE2 2.87Å; T309-E312 PolarHBondContact O-N 3.24Å; T309-E312 WeakPolarHBondContact OG1-CG 3.39Å; T309-E312 PolarHBondContact OG1-N 2.88Å; E312-Y316 WeakPolarHBondContact O-CB 3.4Å; E312-Y316 PolarHBondContact O-N 3.21Å
313L86.4Confident82.1Confident0 Ų020.6 Ų20.60%010%0.099CC..Hα-helixtrans-64-44.4178.1178.459.7000111.7Y217 F218 L221 L251 L272 L303 T309 L310 F311 Y316 L317Y217-L313 HydrophobicContact CD1-CD2 4.25Å; Y217-L313 HydrophobicContact CE1-CD1 4.35Å; Y217-L313 HydrophobicContact CE1-CD2 3.86Å; F218-L313 HydrophobicContact CE1-CD1 4.46Å; L221-L313 HydrophobicContact CD2-CD1 3.74Å; L251-L313 HydrophobicContact CD1-CD2 4.09Å; L251-L313 HydrophobicContact CD2-CD2 3.66Å; L251-L313 HydrophobicContact CD2-CG 4.15Å; L272-L313 HydrophobicContact CD1-CD2 4.11Å; L272-L313 HydrophobicContact CD2-CB 4.34Å; L272-L313 HydrophobicContact CD2-CD2 3.81Å; L303-L313 HydrophobicContact CD2-CB 4.41Å; L303-L313 HydrophobicContact CD2-CD1 3.81Å; T309-L313 PolarHBondContact O-N 3.41Å; L310-L313 PolarHBondContact O-N 3.45Å; F311-L313 VanDerWaalsContact C-N 3.33Å; F311-L313 PolarHBondContact O-N 3.43Å; L313-Y316 PolarHBondContact O-N 3.31Å; L313-L317 HydrophobicContact CD1-CD1 4.14Å; L313-L317 HydrophobicContact CD1-CG 4.28Å; L313-L317 HydrophobicContact CG-CD1 4.18Å; L313-L317 VanDerWaalsContact O-CG 3.31Å; L313-L317 WeakPolarHBondContact O-CG 3.39Å; L313-L317 PolarHBondContact O-N 3.29Å
314K87.6Confident82.6Confident1 Ų119.9 Ų19.90%0.00410%0.095CC..Hα-helixtrans-67-43.6178.7-71.7-77.8-172.9164.90112L251 L310 F311 Y316 L317 L318 T341 T345 E348L251-K314 HydrophobicContact CD2-CD 4.49Å; L310-K314 HydrophobicContact CD1-CG 4.17Å; L310-K314 HydrophobicContact CG-CG 4.43Å; L310-K314 WeakPolarHBondContact O-CB 3.1Å; L310-K314 VanDerWaalsContact O-CG 3.28Å; L310-K314 WeakPolarHBondContact O-CG 3.47Å; L310-K314 PolarHBondContact O-N 3.18Å; F311-K314 PolarHBondContact O-N 2.86Å; K314-Y316 VanDerWaalsContact C-N 3.31Å; K314-Y316 PolarHBondContact O-N 3.3Å; K314-L317 PolarHBondContact O-N 3.48Å; K314-L318 VanDerWaalsContact O-CB 3.24Å; K314-L318 WeakPolarHBondContact O-CB 3.47Å; K314-L318 PolarHBondContact O-N 3.14Å; K314-T341 HydrophobicContact CB-CG2 4.13Å; K314-T341 HydrophobicContact CD-CG2 4.24Å; K314-T345 WeakPolarHBondContact CD-OG1 3.34Å; K314-T345 HydrophobicContact CG-CG2 4.18Å; K314-T345 WeakPolarHBondContact CG-OG1 3.25Å; K314-E348 WeakPolarHBondContact CE-OE2 3.49Å; K314-E348 IonicContact NZ-OE1 3.62Å; K314-E348 PolarHBondContact NZ-OE1 3.38Å; K314-E348 IonicContact NZ-OE2 3.55Å; K314-E348 PolarHBondContact NZ-OE2 3.47Å
315N81.7Confident83.3Confident1 Ų115.1 Ų15.11%0.0057%0.074CC..Hα-helixtrans-59.8-43.5175.2-70-16.5000111.3C286 F311 L318 S319 W364C286-N315 PolarHBondContact SG-ND2 3.45Å; C286-N315 PolarHBondContact SG-OD1 3.02Å; F311-N315 VanDerWaalsContact O-CB 3.27Å; F311-N315 WeakPolarHBondContact O-CB 3.23Å; F311-N315 PolarHBondContact O-N 2.88Å; F311-N315 PolarHBondContact O-ND2 3.12Å; F311-N315 PolarHBondContact O-OD1 2.95Å; N315-L318 PolarHBondContact O-N 3.46Å; N315-S319 WeakPolarHBondContact O-CB 3.4Å; N315-S319 PolarHBondContact O-N 3.26Å; N315-W364 PolarHBondContact ND2-NE1 3.47Å; N315-W364 PolarHBondContact OD1-NE1 3.34Å
316Y84.2Confident83.6Confident13 Ų1311.4 Ų11.45%0.0516%0.057CC..Hα-helixtrans-64.6-49178.3173.7-101.3000112.6E225 I297 L303 E312 L313 K314 L318 S319 R320E225-Y316 VanDerWaalsContact CD-OH 3.3Å; E225-Y316 WeakPolarHBondContact OE1-CE1 3.35Å; E225-Y316 PolarHBondContact OE1-OH 3.45Å; E225-Y316 PolarHBondContact OE2-OH 3Å; I297-Y316 HydrophobicContact CD1-CD2 3.96Å; I297-Y316 HydrophobicContact CD1-CE2 3.87Å; I297-Y316 HydrophobicContact CG2-CD2 4.43Å; L303-Y316 HydrophobicContact CD1-CD1 3.91Å; L303-Y316 HydrophobicContact CD1-CD2 3.59Å; L303-Y316 HydrophobicContact CD1-CE2 4.26Å; L303-Y316 HydrophobicContact CD1-CG 3.38Å; L303-Y316 HydrophobicContact CD2-CD1 4.43Å; E312-Y316 WeakPolarHBondContact O-CB 3.4Å; E312-Y316 PolarHBondContact O-N 3.21Å; L313-Y316 PolarHBondContact O-N 3.31Å; K314-Y316 VanDerWaalsContact C-N 3.31Å; K314-Y316 PolarHBondContact O-N 3.3Å; Y316-L318 VanDerWaalsContact C-N 3.31Å; Y316-L318 PolarHBondContact O-N 2.94Å; Y316-S319 WeakPolarHBondContact O-CB 3.47Å; Y316-S319 PolarHBondContact O-N 2.9Å; Y316-R320 HydrophobicContact CE1-CG 4.15Å; Y316-R320 HydrophobicContact CE2-CG 4.2Å; Y316-R320 WeakPolarHBondContact O-CG 3.34Å; Y316-R320 PolarHBondContact O-N 3.23Å; Y316-R320 PolarHBondContact OH-NE 2.89Å; Y316-R320 PolarHBondContact OH-NH2 3.15Å
317L88.8Confident83.5Confident2 Ų211.6 Ų11.61%0.016%0.062CC..Hα-helixtrans-59.9-43.3176.6-71.1171.1000111.2L221 Y244 L251 L313 K314 R320 Q321L221-L317 HydrophobicContact CD1-CD2 3.78Å; Y244-L317 HydrophobicContact CD1-CD2 4.1Å; L251-L317 HydrophobicContact CD2-CD1 4.17Å; L313-L317 HydrophobicContact CD1-CD1 4.14Å; L313-L317 HydrophobicContact CD1-CG 4.28Å; L313-L317 HydrophobicContact CG-CD1 4.18Å; L313-L317 VanDerWaalsContact O-CG 3.31Å; L313-L317 WeakPolarHBondContact O-CG 3.39Å; L313-L317 PolarHBondContact O-N 3.29Å; K314-L317 PolarHBondContact O-N 3.48Å; L317-R320 PolarHBondContact O-N 2.58Å; L317-Q321 VanDerWaalsContact O-CG 3.24Å; L317-Q321 WeakPolarHBondContact O-CG 3.36Å; L317-Q321 PolarHBondContact O-N 3.44Å
318L86.6Confident83.7Confident0 Ų08.9 Ų8.90%05%0.049CC..Hα-helixtrans-63.3-41.3176.5-176.956.4000111.6Y288 K314 N315 Y316 R320 Q321 A322 F334 L337 A338 T341 I368Y288-L318 HydrophobicContact CE1-CB 4.28Å; Y288-L318 HydrophobicContact CE1-CD2 4.21Å; Y288-L318 HydrophobicContact CE1-CG 4.03Å; Y288-L318 WeakPolarHBondContact OH-CD2 3.43Å; K314-L318 VanDerWaalsContact O-CB 3.24Å; K314-L318 WeakPolarHBondContact O-CB 3.47Å; K314-L318 PolarHBondContact O-N 3.14Å; N315-L318 PolarHBondContact O-N 3.46Å; Y316-L318 VanDerWaalsContact C-N 3.31Å; Y316-L318 PolarHBondContact O-N 2.94Å; L318-R320 PolarHBondContact O-N 3.05Å; L318-Q321 PolarHBondContact O-N 3.14Å; L318-A322 VanDerWaalsContact O-CB 3.31Å; L318-A322 WeakPolarHBondContact O-CB 3.47Å; L318-A322 PolarHBondContact O-N 3.03Å; L318-F334 HydrophobicContact CD1-CD2 4.25Å; L318-F334 HydrophobicContact CD1-CE2 3.68Å; L318-F334 HydrophobicContact CG-CE2 3.99Å; L318-L337 HydrophobicContact CD1-CD2 4.07Å; L318-L337 HydrophobicContact CD1-CG 3.85Å; L318-A338 HydrophobicContact CD1-CB 4.35Å; L318-A338 HydrophobicContact CD2-CB 4.1Å; L318-T341 HydrophobicContact CB-CG2 4.3Å; L318-T341 HydrophobicContact CD2-CG2 4.02Å; L318-I368 HydrophobicContact CD2-CG2 4.14Å
319S83.4Confident83.6Confident1 Ų112.3 Ų12.31%0.0077%0.067CC..Hα-helixtrans-60.3-44.7174.8-169.10000112N315 Y316 A322 S323N315-S319 WeakPolarHBondContact O-CB 3.4Å; N315-S319 PolarHBondContact O-N 3.26Å; Y316-S319 WeakPolarHBondContact O-CB 3.47Å; Y316-S319 PolarHBondContact O-N 2.9Å; S319-A322 PolarHBondContact O-N 3.29Å; S319-S323 WeakPolarHBondContact O-CB 3.23Å; S319-S323 PolarHBondContact O-N 3.08Å
320R84.7Confident83.6Confident9 Ų914.6 Ų14.63%0.0348%0.075CC..Hα-helixtrans-64.5-41.9178.1-70-58.6-162.3176.57.6111.8Y244 Y316 L317 L318 S323 I324Y244-R320 HydrophobicContact CD1-CB 3.91Å; Y244-R320 HydrophobicContact CD1-CG 4.44Å; Y244-R320 HydrophobicContact CD2-CB 4.44Å; Y244-R320 HydrophobicContact CE1-CB 3.65Å; Y244-R320 HydrophobicContact CE1-CG 3.75Å; Y244-R320 HydrophobicContact CE2-CB 4.22Å; Y244-R320 HydrophobicContact CG-CB 4.3Å; Y316-R320 HydrophobicContact CE1-CG 4.15Å; Y316-R320 HydrophobicContact CE2-CG 4.2Å; Y316-R320 WeakPolarHBondContact O-CG 3.34Å; Y316-R320 PolarHBondContact O-N 3.23Å; Y316-R320 PolarHBondContact OH-NE 2.89Å; Y316-R320 PolarHBondContact OH-NH2 3.15Å; L317-R320 PolarHBondContact O-N 2.58Å; L318-R320 PolarHBondContact O-N 3.05Å; R320-S323 PolarHBondContact O-N 3.36Å; R320-S323 PolarHBondContact O-OG 2.9Å; R320-I324 VanDerWaalsContact O-CG1 3.29Å; R320-I324 WeakPolarHBondContact O-CG1 3.17Å; R320-I324 PolarHBondContact O-N 3.15Å; R320-I324 VanDerWaalsContact O-N 3.1Å
321Q88.9Confident82.9Confident2 Ų214.9 Ų14.91%0.0098%0.077CC..Hα-helixtrans-67.1-40.7177.1-66.9168.1-13.600111.2L241 Y244 T248 L317 L318 I324 L325 L337L241-Q321 HydrophobicContact CD1-CB 3.92Å; L241-Q321 HydrophobicContact CD1-CG 4.11Å; Y244-Q321 PolarHBondContact O-NE2 2.95Å; Y244-Q321 VanDerWaalsContact O-NE2 3.12Å; T248-Q321 PolarHBondContact OG1-NE2 3.05Å; T248-Q321 VanDerWaalsContact OG1-NE2 3.16Å; L317-Q321 VanDerWaalsContact O-CG 3.24Å; L317-Q321 WeakPolarHBondContact O-CG 3.36Å; L317-Q321 PolarHBondContact O-N 3.44Å; L318-Q321 PolarHBondContact O-N 3.14Å; Q321-I324 PolarHBondContact O-N 3.36Å; Q321-L325 WeakPolarHBondContact O-CB 3.48Å; Q321-L325 VanDerWaalsContact O-CG 3.29Å; Q321-L325 WeakPolarHBondContact O-CG 3.43Å; Q321-L325 PolarHBondContact O-N 2.79Å; Q321-L337 HydrophobicContact CB-CD2 3.52Å; Q321-L337 HydrophobicContact CG-CD2 4.35Å
322A83.3Confident82.3Confident0 Ų017.9 Ų17.90%09%0.093CC..Hα-helixtrans-60.8-45175.200000112.1L290 L318 S319 I324 L325 C326 F334L290-A322 HydrophobicContact CD2-CB 4.4Å; L318-A322 VanDerWaalsContact O-CB 3.31Å; L318-A322 WeakPolarHBondContact O-CB 3.47Å; L318-A322 PolarHBondContact O-N 3.03Å; S319-A322 PolarHBondContact O-N 3.29Å; A322-I324 VanDerWaalsContact C-N 3.31Å; A322-I324 PolarHBondContact O-N 3.46Å; A322-L325 PolarHBondContact O-N 2.82Å; A322-C326 PolarHBondContact O-N 2.86Å; A322-F334 HydrophobicContact CB-CD1 4.28Å; A322-F334 HydrophobicContact CB-CD2 3.78Å; A322-F334 HydrophobicContact CB-CE1 3.93Å; A322-F334 HydrophobicContact CB-CE2 3.41Å; A322-F334 VanDerWaalsContact CB-CE2 3.41Å; A322-F334 HydrophobicContact CB-CG 4.23Å; A322-F334 HydrophobicContact CB-CZ 3.49Å; A322-F334 VanDerWaalsContact CB-CZ 3.49Å
323S82.1Confident82.1Confident3 Ų320.5 Ų20.52%0.02111%0.105CC..Hα-helixtrans-63.9-38.318082.20000111.2V292 S319 R320 C326 I327V292-S323 VanDerWaalsContact CG2-O 3.26Å; V292-S323 WeakPolarHBondContact CG2-O 3.28Å; S319-S323 WeakPolarHBondContact O-CB 3.23Å; S319-S323 PolarHBondContact O-N 3.08Å; R320-S323 PolarHBondContact O-N 3.36Å; R320-S323 PolarHBondContact O-OG 2.9Å; S323-C326 WeakPolarHBondContact O-CB 3.19Å; S323-C326 PolarHBondContact O-N 2.8Å; S323-I327 PolarHBondContact O-N 3.39Å
324I85Confident81.6Confident2 Ų220.5 Ų20.51%0.0111%0.105CC..Hα-helixtrans-73-38.7174.8-62.3169000111.6L232 H237 A240 L241 Y244 R320 Q321 A322 C326 I327 C328L232-I324 HydrophobicContact CD2-CG1 4.28Å; H237-I324 HydrophobicContact CB-CG2 4.49Å; H237-I324 WeakPolarHBondContact O-CG2 3.34Å; A240-I324 HydrophobicContact CB-CD1 4.07Å; L241-I324 HydrophobicContact CB-CG2 3.8Å; L241-I324 HydrophobicContact CD1-CB 4.37Å; L241-I324 HydrophobicContact CD1-CG2 4.39Å; Y244-I324 HydrophobicContact CD2-CD1 3.4Å; Y244-I324 VanDerWaalsContact CD2-CD1 3.4Å; Y244-I324 HydrophobicContact CE2-CD1 3.45Å; Y244-I324 VanDerWaalsContact CE2-CD1 3.45Å; R320-I324 VanDerWaalsContact O-CG1 3.29Å; R320-I324 WeakPolarHBondContact O-CG1 3.17Å; R320-I324 PolarHBondContact O-N 3.15Å; R320-I324 VanDerWaalsContact O-N 3.1Å; Q321-I324 PolarHBondContact O-N 3.36Å; A322-I324 VanDerWaalsContact C-N 3.31Å; A322-I324 PolarHBondContact O-N 3.46Å; I324-C326 PolarHBondContact O-N 2.81Å; I324-I327 PolarHBondContact O-N 3.03Å; I324-I327 VanDerWaalsContact O-N 3.14Å; I324-C328 WeakPolarHBondContact O-CB 3.38Å; I324-C328 PolarHBondContact O-N 2.77Å
325L84.9Confident80.6Confident0 Ų020.4 Ų20.40%011%0.105CC..Hα-helixtrans-59.4-35173.9-78.8173.5000112.1L241 Q321 A322 C328 D329 R330 L331 E333 F334 L337L241-L325 HydrophobicContact CD1-CG 4.29Å; L241-L325 HydrophobicContact CD2-CD2 3.63Å; L241-L325 HydrophobicContact CD2-CG 4.2Å; Q321-L325 WeakPolarHBondContact O-CB 3.48Å; Q321-L325 VanDerWaalsContact O-CG 3.29Å; Q321-L325 WeakPolarHBondContact O-CG 3.43Å; Q321-L325 PolarHBondContact O-N 2.79Å; A322-L325 PolarHBondContact O-N 2.82Å; L325-C328 CarbonylContact O-C 3.54Å; L325-C328 PolarHBondContact O-N 2.87Å; L325-D329 PolarHBondContact O-N 3.44Å; L325-R330 HydrophobicContact CD2-CB 4.18Å; L325-R330 PolarHBondContact O-N 3.27Å; L325-L331 HydrophobicContact CB-CD2 4.31Å; L325-E333 HydrophobicContact CD1-CB 4.3Å; L325-E333 HydrophobicContact CD2-CB 4.06Å; L325-F334 HydrophobicContact CD1-CB 4.1Å; L325-L337 HydrophobicContact CD1-CD2 3.77Å
326C80.3Confident80Confident36 Ų3622.6 Ų22.624%0.24312%0.123CC..Hα-helixtrans-62-49.4171.6-174.50000111.8L290 A322 S323 I324 C328 D329 L331L290-C326 HydrophobicContact CD2-CB 4.2Å; A322-C326 PolarHBondContact O-N 2.86Å; S323-C326 WeakPolarHBondContact O-CB 3.19Å; S323-C326 PolarHBondContact O-N 2.8Å; I324-C326 PolarHBondContact O-N 2.81Å; C326-C328 VanDerWaalsContact C-N 3.31Å; C326-C328 PolarHBondContact O-N 3.36Å; C326-D329 PolarHBondContact O-N 2.9Å; C326-L331 HydrophobicContact CB-CD1 4.19Å; C326-L331 HydrophobicContact CB-CD2 3.91Å; C326-L331 HydrophobicContact CB-CG 4.15Å
327I78.9Confident79.7Confident74 Ų7423.1 Ų23.138%0.37913%0.126SC..Hα-helixtrans-63.5-38.7175.2-56.6176.3000111.6L232 H237 V292 S323 I324 D329L232-I327 HydrophobicContact CD2-CD1 4.43Å; H237-I327 WeakPolarHBondContact CE1-CG2 3.25Å; H237-I327 WeakPolarHBondContact ND1-CG2 3.37Å; V292-I327 HydrophobicContact CB-CD1 3.77Å; V292-I327 HydrophobicContact CG1-CD1 3.97Å; V292-I327 HydrophobicContact CG2-CD1 3.16Å; V292-I327 HydrophobicContact CG2-CG1 3.61Å; S323-I327 PolarHBondContact O-N 3.39Å; I324-I327 PolarHBondContact O-N 3.03Å; I324-I327 VanDerWaalsContact O-N 3.14Å; I327-D329 PolarHBondContact O-N 2.65Å
328C82Confident79Confident21 Ų2123 Ų2314%0.14213%0.126CC..THydrogen-bonded Turntrans-68.7-7.7176.3-78.90000113.1H237 E238 I324 L325 C326 R330H237-C328 WeakPolarHBondContact CB-SG 3.48Å; E238-C328 PolarHBondContact OE1-SG 3.33Å; I324-C328 WeakPolarHBondContact O-CB 3.38Å; I324-C328 PolarHBondContact O-N 2.77Å; L325-C328 CarbonylContact O-C 3.54Å; L325-C328 PolarHBondContact O-N 2.87Å; C326-C328 VanDerWaalsContact C-N 3.31Å; C326-C328 PolarHBondContact O-N 3.36Å; C328-R330 VanDerWaalsContact C-N 3.27Å; C328-R330 HydrophobicContact CB-CG 4.48Å; C328-R330 WeakPolarHBondContact O-CG 3.39Å; C328-R330 PolarHBondContact O-N 3.14Å
329D77.6Confident78.1Confident72 Ų7225.4 Ų25.439%0.38514%0.135SC..THydrogen-bonded Turntrans64.333.4178-163.434.7000113.2L325 C326 I327 R382L325-D329 PolarHBondContact O-N 3.44Å; C326-D329 PolarHBondContact O-N 2.9Å; I327-D329 PolarHBondContact O-N 2.65Å; D329-R382 IonicContact OD1-CZ 2.64Å; D329-R382 IonicContact OD1-NE 2.9Å; D329-R382 PolarHBondContact OD1-NE 2.88Å; D329-R382 VanDerWaalsContact OD1-NE 3.16Å; D329-R382 IonicContact OD1-NH1 2.79Å; D329-R382 PolarHBondContact OD1-NH1 2.92Å; D329-R382 IonicContact OD1-NH2 2.64Å; D329-R382 PolarHBondContact OD1-NH2 2.9Å; D329-R382 IonicContact OD2-CZ 2.92Å; D329-R382 IonicContact OD2-NH1 3.45Å; D329-R382 PolarHBondContact OD2-NH1 2.64Å; D329-R382 IonicContact OD2-NH2 2.9Å; D329-R382 PolarHBondContact OD2-NH2 2.57Å
330R80.3Confident77.7Confident56 Ų5630.4 Ų30.421%0.21116%0.158CC..  trans-130.742.6-176.8-60.4-172.8-46.7-157.3-10.9112.2E238 L325 C328 N332 E333E238-R330 VanDerWaalsContact CD-NH2 3.25Å; E238-R330 IonicContact OE1-CZ 3Å; E238-R330 IonicContact OE1-NE 3.95Å; E238-R330 IonicContact OE1-NH1 3.85Å; E238-R330 PolarHBondContact OE1-NH1 3.28Å; E238-R330 VanDerWaalsContact OE1-NH1 3.11Å; E238-R330 IonicContact OE1-NH2 2.61Å; E238-R330 PolarHBondContact OE1-NH2 2.86Å; E238-R330 IonicContact OE2-CZ 2.98Å; E238-R330 IonicContact OE2-NH1 2.99Å; E238-R330 PolarHBondContact OE2-NH1 3.45Å; E238-R330 IonicContact OE2-NH2 2.78Å; E238-R330 PolarHBondContact OE2-NH2 3.44Å; L325-R330 HydrophobicContact CD2-CB 4.18Å; L325-R330 PolarHBondContact O-N 3.27Å; C328-R330 VanDerWaalsContact C-N 3.27Å; C328-R330 HydrophobicContact CB-CG 4.48Å; C328-R330 WeakPolarHBondContact O-CG 3.39Å; C328-R330 PolarHBondContact O-N 3.14Å; R330-N332 WeakPolarHBondContact CA-OD1 3.32Å; R330-N332 PolarHBondContact O-N 2.93Å; R330-N332 VanDerWaalsContact O-N 3.11Å; R330-N332 PolarHBondContact O-OD1 2.86Å; R330-E333 HydrophobicContact CB-CG 4.38Å; R330-E333 VanDerWaalsContact CD-OE1 3.23Å; R330-E333 WeakPolarHBondContact CD-OE1 3.3Å; R330-E333 IonicContact CZ-OE1 3.76Å; R330-E333 IonicContact CZ-OE2 2.86Å; R330-E333 IonicContact NE-OE1 3.88Å; R330-E333 PolarHBondContact NE-OE1 3.13Å; R330-E333 VanDerWaalsContact NE-OE1 3.17Å; R330-E333 IonicContact NE-OE2 2.61Å; R330-E333 IonicContact NH1-OE1 2.86Å; R330-E333 PolarHBondContact O-N 3.28Å
331L73Confident77.5Confident7 Ų730 Ų304%0.03716%0.157CC..G310 helixtrans-61.8-16.8177.1-78.5-179.3000113.4L290 L325 C326 E333 F334 P335 D379L290-L331 HydrophobicContact CD2-CD2 4.39Å; L325-L331 HydrophobicContact CB-CD2 4.31Å; C326-L331 HydrophobicContact CB-CD1 4.19Å; C326-L331 HydrophobicContact CB-CD2 3.91Å; C326-L331 HydrophobicContact CB-CG 4.15Å; L331-E333 PolarHBondContact O-N 3.37Å; L331-F334 HydrophobicContact CD2-CB 4.44Å; L331-F334 VanDerWaalsContact O-CB 3.25Å; L331-F334 WeakPolarHBondContact O-CB 3.12Å; L331-F334 PolarHBondContact O-N 2.85Å; L331-P335 WeakPolarHBondContact O-CD 3.2Å; L331-D379 HydrophobicContact CD1-CB 3.53Å; L331-D379 WeakPolarHBondContact CD1-OD2 3.33Å
332N68.5Low76.8Confident70 Ų7030.1 Ų30.137%0.37416%0.157SC..G310 helixtrans-60.1-25.3168.964.7-50.3000113.5R330 F334 P335 S390R330-N332 WeakPolarHBondContact CA-OD1 3.32Å; R330-N332 PolarHBondContact O-N 2.93Å; R330-N332 VanDerWaalsContact O-N 3.11Å; R330-N332 PolarHBondContact O-OD1 2.86Å; N332-F334 VanDerWaalsContact C-N 3.33Å; N332-P335 WeakPolarHBondContact O-CD 3.28Å; N332-S390 VanDerWaalsContact O-CB 3.27Å; N332-S390 WeakPolarHBondContact O-CB 3.32Å; N332-S390 PolarHBondContact O-OG 3.4Å
333E75.5Confident76.3Confident60 Ų6031 Ų3128%0.2816%0.163SC..G310 helixtrans-78.9-16.4174.4-66.3-177.1-156.400113.1R245 L325 R330 L331 A336 L337R245-E333 IonicContact CZ-OE2 2.94Å; R245-E333 IonicContact NH2-OE2 3.86Å; R245-E333 PolarHBondContact NH2-OE2 2.6Å; L325-E333 HydrophobicContact CD1-CB 4.3Å; L325-E333 HydrophobicContact CD2-CB 4.06Å; R330-E333 HydrophobicContact CB-CG 4.38Å; R330-E333 VanDerWaalsContact CD-OE1 3.23Å; R330-E333 WeakPolarHBondContact CD-OE1 3.3Å; R330-E333 IonicContact CZ-OE1 3.76Å; R330-E333 IonicContact CZ-OE2 2.86Å; R330-E333 IonicContact NE-OE1 3.88Å; R330-E333 PolarHBondContact NE-OE1 3.13Å; R330-E333 VanDerWaalsContact NE-OE1 3.17Å; R330-E333 IonicContact NE-OE2 2.61Å; R330-E333 IonicContact NH1-OE1 2.86Å; R330-E333 PolarHBondContact O-N 3.28Å; L331-E333 PolarHBondContact O-N 3.37Å; E333-A336 PolarHBondContact O-N 2.98Å; E333-L337 PolarHBondContact O-N 2.79Å
334F75.9Confident76.3Confident0 Ų031.5 Ų31.50%017%0.167CC..Hα-helixtrans-63.6-41.5-172.7-178.3-147.4000113.8Y288 L318 A322 L325 L331 N332 A336 L337 A338 T372 N375 I376Y288-F334 HydrophobicContact CD2-CE1 4.43Å; Y288-F334 AromaticContact CD2-CZ 3.87Å; Y288-F334 HydrophobicContact CD2-CZ 3.87Å; Y288-F334 AromaticContact CE2-CZ 3.98Å; Y288-F334 HydrophobicContact CE2-CZ 3.98Å; Y288-F334 HydrophobicContact CG-CZ 4.34Å; L318-F334 HydrophobicContact CD1-CD2 4.25Å; L318-F334 HydrophobicContact CD1-CE2 3.68Å; L318-F334 HydrophobicContact CG-CE2 3.99Å; A322-F334 HydrophobicContact CB-CD1 4.28Å; A322-F334 HydrophobicContact CB-CD2 3.78Å; A322-F334 HydrophobicContact CB-CE1 3.93Å; A322-F334 HydrophobicContact CB-CE2 3.41Å; A322-F334 VanDerWaalsContact CB-CE2 3.41Å; A322-F334 HydrophobicContact CB-CG 4.23Å; A322-F334 HydrophobicContact CB-CZ 3.49Å; A322-F334 VanDerWaalsContact CB-CZ 3.49Å; L325-F334 HydrophobicContact CD1-CB 4.1Å; L331-F334 HydrophobicContact CD2-CB 4.44Å; L331-F334 VanDerWaalsContact O-CB 3.25Å; L331-F334 WeakPolarHBondContact O-CB 3.12Å; L331-F334 PolarHBondContact O-N 2.85Å; N332-F334 VanDerWaalsContact C-N 3.33Å; F334-A336 PolarHBondContact O-N 3.45Å; F334-L337 WeakPolarHBondContact O-CB 3.08Å; F334-L337 PolarHBondContact O-N 3.36Å; F334-A338 HydrophobicContact CE2-CB 4.36Å; F334-A338 WeakPolarHBondContact O-CB 3.2Å; F334-A338 PolarHBondContact O-N 3.05Å; F334-T372 HydrophobicContact CD1-CG2 3.77Å; F334-T372 HydrophobicContact CE1-CG2 3.84Å; F334-T372 HydrophobicContact CG-CG2 4.17Å; F334-T372 HydrophobicContact CZ-CG2 4.27Å; F334-N375 HydrophobicContact CE1-CB 4.1Å; F334-I376 HydrophobicContact CD1-CD1 4.43Å; F334-I376 HydrophobicContact CD1-CG1 4.12Å
335P66.8Low76.2Confident0 Ų031.4 Ų31.40%017%0.167CC..Hα-helixtrans-52.3-52.3171.9-34.142.7000114L331 N332 L337 A338 Y339 T372 I376 S390 L394L331-P335 WeakPolarHBondContact O-CD 3.2Å; N332-P335 WeakPolarHBondContact O-CD 3.28Å; P335-L337 PolarHBondContact O-N 3.25Å; P335-A338 PolarHBondContact O-N 2.91Å; P335-Y339 WeakPolarHBondContact O-CB 3.34Å; P335-Y339 PolarHBondContact O-N 3.1Å; P335-T372 HydrophobicContact CG-CG2 4.32Å; P335-I376 VanDerWaalsContact CD-CD1 3.49Å; P335-I376 HydrophobicContact CG-CD1 3.18Å; P335-I376 HydrophobicContact CG-CG1 4.42Å; P335-S390 WeakPolarHBondContact CB-O 3.4Å; P335-L394 HydrophobicContact CB-CB 3.52Å; P335-L394 HydrophobicContact CB-CD2 4.23Å; P335-L394 HydrophobicContact CB-CG 4.37Å; P335-L394 VanDerWaalsContact O-CD1 3.27Å; P335-L394 WeakPolarHBondContact O-CD1 3.49Å
336A69.2Low75.8Confident47 Ų4732.7 Ų32.739%0.38817%0.173SC..Hα-helixtrans-61.6-35.918000000111.7E333 F334 H340E333-A336 PolarHBondContact O-N 2.98Å; F334-A336 PolarHBondContact O-N 3.45Å; A336-H340 PolarHBondContact O-N 3.47Å
337L79Confident75.6Confident23 Ų2333.7 Ų33.712%0.1218%0.178CC..Hα-helixtrans-71-43.4177.3-177.465.5000113.1L318 Q321 L325 E333 F334 P335 Y339 H340 T341L318-L337 HydrophobicContact CD1-CD2 4.07Å; L318-L337 HydrophobicContact CD1-CG 3.85Å; Q321-L337 HydrophobicContact CB-CD2 3.52Å; Q321-L337 HydrophobicContact CG-CD2 4.35Å; L325-L337 HydrophobicContact CD1-CD2 3.77Å; E333-L337 PolarHBondContact O-N 2.79Å; F334-L337 WeakPolarHBondContact O-CB 3.08Å; F334-L337 PolarHBondContact O-N 3.36Å; P335-L337 PolarHBondContact O-N 3.25Å; L337-Y339 VanDerWaalsContact C-N 3.29Å; L337-Y339 PolarHBondContact O-N 3.35Å; L337-H340 PolarHBondContact O-N 2.78Å; L337-T341 PolarHBondContact O-N 3.05Å; L337-T341 PolarHBondContact O-OG1 2.98Å
338A73Confident75.9Confident0 Ų030.2 Ų30.20%016%0.16CC..Hα-helixtrans-61.2-42.1175.100000110.4L318 F334 P335 T341 I342 I368 T372 L394L318-A338 HydrophobicContact CD1-CB 4.35Å; L318-A338 HydrophobicContact CD2-CB 4.1Å; F334-A338 HydrophobicContact CE2-CB 4.36Å; F334-A338 WeakPolarHBondContact O-CB 3.2Å; F334-A338 PolarHBondContact O-N 3.05Å; P335-A338 PolarHBondContact O-N 2.91Å; A338-T341 WeakPolarHBondContact O-CB 3.32Å; A338-T341 PolarHBondContact O-N 3.32Å; A338-I342 WeakPolarHBondContact O-CG1 3.31Å; A338-I342 PolarHBondContact O-N 2.92Å; A338-I368 HydrophobicContact CB-CG2 4.09Å; A338-T372 HydrophobicContact CB-CG2 4.15Å; A338-T372 WeakPolarHBondContact CB-OG1 3.45Å; A338-L394 HydrophobicContact CB-CD1 4.02Å
339Y66.9Low75.9Confident51 Ų5129.3 Ų29.320%0.215%0.154CC..Hα-helixtrans-57.4-53.3172.6167.7-105.6000112.7P335 L337 T341 I342 C343 T397 C401P335-Y339 WeakPolarHBondContact O-CB 3.34Å; P335-Y339 PolarHBondContact O-N 3.1Å; L337-Y339 VanDerWaalsContact C-N 3.29Å; L337-Y339 PolarHBondContact O-N 3.35Å; Y339-T341 PolarHBondContact O-N 3.23Å; Y339-I342 WeakPolarHBondContact O-CB 3.35Å; Y339-I342 PolarHBondContact O-N 3.32Å; Y339-I342 VanDerWaalsContact O-N 3.09Å; Y339-C343 HydrophobicContact CE2-CB 4.33Å; Y339-C343 WeakPolarHBondContact CE2-SG 3.45Å; Y339-C343 VanDerWaalsContact CZ-SG 3.52Å; Y339-C343 PolarHBondContact O-N 3.28Å; Y339-T397 HydrophobicContact CD1-CG2 3.8Å; Y339-T397 HydrophobicContact CD2-CG2 3.62Å; Y339-T397 HydrophobicContact CE1-CG2 3.32Å; Y339-T397 VanDerWaalsContact CE2-C 3.45Å; Y339-T397 HydrophobicContact CE2-CG2 3.07Å; Y339-T397 WeakPolarHBondContact CE2-O 3.44Å; Y339-T397 HydrophobicContact CG-CG2 3.93Å; Y339-T397 WeakPolarHBondContact OH-CG2 3.32Å; Y339-C401 WeakPolarHBondContact CE2-SG 3.31Å; Y339-C401 PolarHBondContact OH-SG 3.21Å
340H75.6Confident75.9Confident105 Ų10529.6 Ų29.649%0.48616%0.156SC..Hα-helixtrans-57.2-38178.8178.7-82.6000111.3A336 L337 S344A336-H340 PolarHBondContact O-N 3.47Å; L337-H340 PolarHBondContact O-N 2.78Å; H340-S344 VanDerWaalsContact O-CB 3.27Å; H340-S344 WeakPolarHBondContact O-CB 2.9Å; H340-S344 PolarHBondContact O-N 2.94Å; H340-S344 PolarHBondContact O-OG 3.48Å
341T81.2Confident76Confident2 Ų229.1 Ų29.11%0.01216%0.157CC..Hα-helixtrans-65.3-45.2176.6-55.80000111.6K314 L318 L337 A338 Y339 S344 T345K314-T341 HydrophobicContact CB-CG2 4.13Å; K314-T341 HydrophobicContact CD-CG2 4.24Å; L318-T341 HydrophobicContact CB-CG2 4.3Å; L318-T341 HydrophobicContact CD2-CG2 4.02Å; L337-T341 PolarHBondContact O-N 3.05Å; L337-T341 PolarHBondContact O-OG1 2.98Å; A338-T341 WeakPolarHBondContact O-CB 3.32Å; A338-T341 PolarHBondContact O-N 3.32Å; Y339-T341 PolarHBondContact O-N 3.23Å; T341-S344 WeakPolarHBondContact CA-OG 3.36Å; T341-S344 PolarHBondContact O-OG 3.18Å; T341-S344 VanDerWaalsContact O-OG 3.05Å; T341-T345 VanDerWaalsContact O-CB 3.26Å; T341-T345 WeakPolarHBondContact O-CB 3.36Å; T341-T345 PolarHBondContact O-N 3.27Å; T341-T345 PolarHBondContact O-OG1 3.42Å
342I73.3Confident76.4Confident3 Ų328.8 Ų28.82%0.01516%0.155CC..Hα-helixtrans-56.6-55.2176.4-71.5161.2000110.2A338 Y339 T345 L346 W364 I365 I368A338-I342 WeakPolarHBondContact O-CG1 3.31Å; A338-I342 PolarHBondContact O-N 2.92Å; Y339-I342 WeakPolarHBondContact O-CB 3.35Å; Y339-I342 PolarHBondContact O-N 3.32Å; Y339-I342 VanDerWaalsContact O-N 3.09Å; I342-T345 PolarHBondContact O-N 3.35Å; I342-L346 HydrophobicContact CG2-CD1 4Å; I342-L346 WeakPolarHBondContact O-CG 3.35Å; I342-L346 PolarHBondContact O-N 3.02Å; I342-W364 HydrophobicContact CB-CZ3 4.44Å; I342-W364 HydrophobicContact CG1-CH2 4.44Å; I342-W364 HydrophobicContact CG1-CZ3 4.25Å; I342-W364 HydrophobicContact CG2-CZ3 4.42Å; I342-I365 HydrophobicContact CD1-CG2 4.37Å; I342-I365 HydrophobicContact CG2-CD1 4.36Å; I342-I365 HydrophobicContact CG2-CG1 3.88Å; I342-I365 HydrophobicContact CG2-CG2 4.46Å; I342-I368 HydrophobicContact CD1-CB 4.29Å; I342-I368 HydrophobicContact CD1-CG2 3.82Å; I342-I368 HydrophobicContact CG1-CB 4.48Å; I342-I368 HydrophobicContact CG1-CD1 4.15Å; I342-I368 HydrophobicContact CG1-CG2 4.1Å
343C74.4Confident76.9Confident18 Ų1831.5 Ų31.512%0.12217%0.17CC..Hα-helixtrans-73.9-35.8-171.7-58.70000112.7Y339 T345 L346 T347 C401Y339-C343 HydrophobicContact CE2-CB 4.33Å; Y339-C343 WeakPolarHBondContact CE2-SG 3.45Å; Y339-C343 VanDerWaalsContact CZ-SG 3.52Å; Y339-C343 PolarHBondContact O-N 3.28Å; C343-T345 VanDerWaalsContact C-N 3.33Å; C343-T345 PolarHBondContact O-N 3.32Å; C343-L346 PolarHBondContact O-N 3.38Å; C343-T347 WeakPolarHBondContact O-CG2 3.06Å; C343-T347 PolarHBondContact O-N 3.07Å; C343-T347 PolarHBondContact O-OG1 2.94Å; C343-C401 HydrophobicContact CB-CB 4.41Å; C343-C401 WeakPolarHBondContact CB-SG 3.5Å; C343-C401 WeakPolarHBondContact SG-CB 3.43Å; C343-C401 CovalentContact SG-SG 2.04Å; C343-C401 PolarHBondContact SG-SG 3.07Å
344S80.9Confident77Confident15 Ų1529.5 Ų29.511%0.10516%0.161CC..Hα-helixtrans-59.4-45.517057.80000111.3H340 T341 L346 T347 E348H340-S344 VanDerWaalsContact O-CB 3.27Å; H340-S344 WeakPolarHBondContact O-CB 2.9Å; H340-S344 PolarHBondContact O-N 2.94Å; H340-S344 PolarHBondContact O-OG 3.48Å; T341-S344 WeakPolarHBondContact CA-OG 3.36Å; T341-S344 PolarHBondContact O-OG 3.18Å; T341-S344 VanDerWaalsContact O-OG 3.05Å; S344-L346 PolarHBondContact O-N 3.15Å; S344-T347 PolarHBondContact O-N 2.99Å; S344-T347 PolarHBondContact O-OG1 3.32Å; S344-E348 WeakPolarHBondContact O-CB 3.45Å; S344-E348 WeakPolarHBondContact O-CG 3.16Å; S344-E348 PolarHBondContact O-N 3.49Å
345T83.8Confident76.8Confident0 Ų038.1 Ų38.10%020%0.201CC..Hα-helixtrans-63.3-43.4180-52.80000111.9L310 F311 K314 T341 I342 C343 T347 E348 I349 W364L310-T345 HydrophobicContact CD2-CG2 4.19Å; L310-T345 HydrophobicContact CG-CG2 4.28Å; F311-T345 HydrophobicContact CD1-CG2 4.18Å; F311-T345 HydrophobicContact CE1-CG2 4.15Å; K314-T345 WeakPolarHBondContact CD-OG1 3.34Å; K314-T345 HydrophobicContact CG-CG2 4.18Å; K314-T345 WeakPolarHBondContact CG-OG1 3.25Å; T341-T345 VanDerWaalsContact O-CB 3.26Å; T341-T345 WeakPolarHBondContact O-CB 3.36Å; T341-T345 PolarHBondContact O-N 3.27Å; T341-T345 PolarHBondContact O-OG1 3.42Å; I342-T345 PolarHBondContact O-N 3.35Å; C343-T345 VanDerWaalsContact C-N 3.33Å; C343-T345 PolarHBondContact O-N 3.32Å; T345-T347 VanDerWaalsContact C-N 3.35Å; T345-T347 PolarHBondContact O-N 3.39Å; T345-E348 PolarHBondContact O-N 2.87Å; T345-I349 HydrophobicContact CG2-CD1 4.01Å; T345-I349 HydrophobicContact CG2-CG1 4.45Å; T345-I349 WeakPolarHBondContact O-CD1 3.5Å; T345-I349 VanDerWaalsContact O-CG1 3.22Å; T345-I349 WeakPolarHBondContact O-CG1 3.18Å; T345-I349 PolarHBondContact O-N 3.2Å; T345-W364 HydrophobicContact CG2-CH2 3.69Å; T345-W364 HydrophobicContact CG2-CZ2 4.18Å; T345-W364 HydrophobicContact CG2-CZ3 4.21Å
346L74.8Confident76.8Confident26 Ų2639.4 Ų39.414%0.13621%0.209CC..Hα-helixtrans-60.4-42.5175.6-68.4174.1000112.3I342 C343 S344 E348 I349 N350 H361 I365I342-L346 HydrophobicContact CG2-CD1 4Å; I342-L346 WeakPolarHBondContact O-CG 3.35Å; I342-L346 PolarHBondContact O-N 3.02Å; C343-L346 PolarHBondContact O-N 3.38Å; S344-L346 PolarHBondContact O-N 3.15Å; L346-E348 VanDerWaalsContact C-N 3.34Å; L346-I349 HydrophobicContact CD2-CD1 4.41Å; L346-N350 PolarHBondContact O-N 2.04Å; L346-N350 PolarHBondContact O-ND2 2.91Å; L346-H361 HydrophobicContact CD2-CB 4.25Å; L346-I365 HydrophobicContact CD1-CD1 3.99Å; L346-I365 HydrophobicContact CD2-CD1 4.39Å
347T77.9Confident76.4Confident57 Ų5740.1 Ų40.135%0.3521%0.206SC..Hα-helixtrans-65.7-38175.359.40000112.3C343 S344 T345 N350 I351C343-T347 WeakPolarHBondContact O-CG2 3.06Å; C343-T347 PolarHBondContact O-N 3.07Å; C343-T347 PolarHBondContact O-OG1 2.94Å; S344-T347 PolarHBondContact O-N 2.99Å; S344-T347 PolarHBondContact O-OG1 3.32Å; T345-T347 VanDerWaalsContact C-N 3.35Å; T345-T347 PolarHBondContact O-N 3.39Å; T347-N350 PolarHBondContact O-N 3.23Å; T347-I351 WeakPolarHBondContact O-CD1 3.18Å; T347-I351 VanDerWaalsContact O-CG1 3.29Å; T347-I351 WeakPolarHBondContact O-CG1 3.49Å; T347-I351 PolarHBondContact O-N 3.39Å
348E84.4Confident75.3Confident1 Ų143 Ų431%0.00522%0.219CC..Hα-helixtrans-71-35.5-179.5-73.3164.9-159.800112.8S252 I255 L310 K314 S344 T345 L346 N350 I351 L352S252-E348 WeakPolarHBondContact CB-OE1 3.2Å; S252-E348 PolarHBondContact OG-OE1 3.46Å; S252-E348 VanDerWaalsContact OG-OE1 3.11Å; I255-E348 HydrophobicContact CB-CG 4.26Å; I255-E348 HydrophobicContact CD1-CB 4.26Å; I255-E348 HydrophobicContact CD1-CG 4.01Å; I255-E348 WeakPolarHBondContact CD1-OE2 3.47Å; I255-E348 HydrophobicContact CG2-CB 3.93Å; I255-E348 HydrophobicContact CG2-CG 3.81Å; L310-E348 HydrophobicContact CD2-CB 4.08Å; K314-E348 WeakPolarHBondContact CE-OE2 3.49Å; K314-E348 IonicContact NZ-OE1 3.62Å; K314-E348 PolarHBondContact NZ-OE1 3.38Å; K314-E348 IonicContact NZ-OE2 3.55Å; K314-E348 PolarHBondContact NZ-OE2 3.47Å; S344-E348 WeakPolarHBondContact O-CB 3.45Å; S344-E348 WeakPolarHBondContact O-CG 3.16Å; S344-E348 PolarHBondContact O-N 3.49Å; T345-E348 PolarHBondContact O-N 2.87Å; L346-E348 VanDerWaalsContact C-N 3.34Å; E348-N350 VanDerWaalsContact C-N 3.31Å; E348-N350 PolarHBondContact O-N 2.96Å; E348-I351 PolarHBondContact O-N 3.46Å; E348-L352 WeakPolarHBondContact O-CB 3.48Å; E348-L352 VanDerWaalsContact O-CG 3.31Å; E348-L352 WeakPolarHBondContact O-CG 3.27Å; E348-L352 PolarHBondContact O-N 3.09Å
349I81.4Confident74.3Confident3 Ų347.8 Ų47.82%0.01524%0.244CC..Hα-helixtrans-57.5-47.7171.7-72.8158.9000110.3L310 F311 T345 L346 I351 L352 N353 I354L310-I349 HydrophobicContact CD2-CG1 3.95Å; F311-I349 HydrophobicContact CE1-CD1 3.51Å; F311-I349 HydrophobicContact CE2-CD1 4.23Å; F311-I349 HydrophobicContact CZ-CD1 3.24Å; F311-I349 HydrophobicContact CZ-CG1 3.99Å; T345-I349 HydrophobicContact CG2-CD1 4.01Å; T345-I349 HydrophobicContact CG2-CG1 4.45Å; T345-I349 WeakPolarHBondContact O-CD1 3.5Å; T345-I349 VanDerWaalsContact O-CG1 3.22Å; T345-I349 WeakPolarHBondContact O-CG1 3.18Å; T345-I349 PolarHBondContact O-N 3.2Å; L346-I349 HydrophobicContact CD2-CD1 4.41Å; I349-I351 VanDerWaalsContact C-N 3.35Å; I349-L352 PolarHBondContact O-N 2.96Å; I349-N353 PolarHBondContact O-N 3.41Å; I349-I354 HydrophobicContact CG2-CB 4.16Å; I349-I354 PolarHBondContact O-N 2.96Å
350N77.9Confident73.9Confident78 Ų7846.1 Ų46.142%0.41724%0.238SC..Hα-helixtrans-64.1-40.3178.3-68.2-20.2000111.5L346 T347 E348 N353L346-N350 PolarHBondContact O-N 2.04Å; L346-N350 PolarHBondContact O-ND2 2.91Å; T347-N350 PolarHBondContact O-N 3.23Å; E348-N350 VanDerWaalsContact C-N 3.31Å; E348-N350 PolarHBondContact O-N 2.96Å; N350-N353 PolarHBondContact O-N 3.46Å; N350-N353 PolarHBondContact O-OD1 3.27Å
351I82Confident73.2Confident45 Ų4542.7 Ų42.723%0.23122%0.222CC..Hα-helixtrans-63.7-42.1176-71.1162.7000111.4I255 Q256 T259 T347 E348 I349 N353I255-I351 HydrophobicContact CG2-CB 4.35Å; I255-I351 HydrophobicContact CG2-CG2 3.95Å; I255-I351 WeakPolarHBondContact O-CG2 3.49Å; Q256-I351 HydrophobicContact CG-CD1 3.9Å; T259-I351 VanDerWaalsContact OG1-CG2 3.29Å; T259-I351 WeakPolarHBondContact OG1-CG2 3.29Å; T347-I351 WeakPolarHBondContact O-CD1 3.18Å; T347-I351 VanDerWaalsContact O-CG1 3.29Å; T347-I351 WeakPolarHBondContact O-CG1 3.49Å; T347-I351 PolarHBondContact O-N 3.39Å; E348-I351 PolarHBondContact O-N 3.46Å; I349-I351 VanDerWaalsContact C-N 3.35Å; I351-N353 VanDerWaalsContact C-N 3.29Å; I351-N353 PolarHBondContact O-N 2.88Å
352L83.1Confident71.9Confident1 Ų144.8 Ų44.81%0.00524%0.239CC..Hα-helixtrans-81.5-7.5-176.7-67175.3000113.5I255 R265 L269 T273 L310 E348 I349 I354I255-L352 HydrophobicContact CD1-CD1 4.35Å; I255-L352 HydrophobicContact CG1-CD1 4.33Å; I255-L352 HydrophobicContact CG2-CD1 3.96Å; I255-L352 HydrophobicContact CG2-CD2 3.99Å; I255-L352 HydrophobicContact CG2-CG 3.77Å; R265-L352 PolarHBondContact NH1-O 3.27Å; R265-L352 PolarHBondContact NH2-O 2.74Å; L269-L352 HydrophobicContact CD1-CD1 4.08Å; L269-L352 HydrophobicContact CD1-CD2 3.79Å; L269-L352 HydrophobicContact CD2-CD2 3.87Å; L269-L352 HydrophobicContact CG-CD2 3.94Å; T273-L352 HydrophobicContact CG2-CB 4.08Å; T273-L352 HydrophobicContact CG2-CD1 4.32Å; L310-L352 HydrophobicContact CD2-CD1 4.28Å; E348-L352 WeakPolarHBondContact O-CB 3.48Å; E348-L352 VanDerWaalsContact O-CG 3.31Å; E348-L352 WeakPolarHBondContact O-CG 3.27Å; E348-L352 PolarHBondContact O-N 3.09Å; I349-L352 PolarHBondContact O-N 2.96Å; L352-I354 HydrophobicContact CB-CD1 3.92Å; L352-I354 HydrophobicContact CB-CG1 3.73Å; L352-I354 HydrophobicContact CD1-CD1 3.98Å; L352-I354 PolarHBondContact O-N 2.81Å
353N78.2Confident71.1Confident127 Ų12745 Ų4568%0.67924%0.241SC*.THydrogen-bonded Turntrans52.243.8-172.5-67.5-29.1000111.9I349 N350 I351 Q355I349-N353 PolarHBondContact O-N 3.41Å; N350-N353 PolarHBondContact O-N 3.46Å; N350-N353 PolarHBondContact O-OD1 3.27Å; I351-N353 VanDerWaalsContact C-N 3.29Å; I351-N353 PolarHBondContact O-N 2.88Å; N353-Q355 PolarHBondContact O-N 3.33Å
354I78.7Confident70.7Confident17 Ų1744.2 Ų44.29%0.08724%0.235CC..  trans-72121.9176.6-66.8174.3000107.8T273 L275 L310 I349 L352 T356T273-I354 HydrophobicContact CG2-CD1 4.32Å; T273-I354 HydrophobicContact CG2-CG1 4.02Å; L275-I354 HydrophobicContact CD1-CG2 3.37Å; L275-I354 HydrophobicContact CG-CG2 4.43Å; L310-I354 HydrophobicContact CB-CD1 4.24Å; L310-I354 HydrophobicContact CD2-CD1 3.92Å; I349-I354 HydrophobicContact CG2-CB 4.16Å; I349-I354 PolarHBondContact O-N 2.96Å; L352-I354 HydrophobicContact CB-CD1 3.92Å; L352-I354 HydrophobicContact CB-CG1 3.73Å; L352-I354 HydrophobicContact CD1-CD1 3.98Å; L352-I354 PolarHBondContact O-N 2.81Å; I354-T356 HydrophobicContact CG2-CG2 3.94Å; I354-T356 PolarHBondContact O-N 3.27Å; I354-T356 VanDerWaalsContact O-N 3.11Å; I354-T356 PolarHBondContact O-OG1 3.28Å
355Q70.9Confident69.8Low182 Ų18244.8 Ų44.885%0.8524%0.237SC*.  trans-80.392.1179-70.1-172.1-18.800110.3L275 N353L275-Q355 VanDerWaalsContact CD1-O 3.26Å; L275-Q355 WeakPolarHBondContact CD1-O 3.43Å; N353-Q355 PolarHBondContact O-N 3.33Å
356T67.2Low68.6Low27 Ų2747.1 Ų47.117%0.16625%0.249CC..  trans-115.3145.1175.332.50000110.2L275 F311 I354 F360 H361L275-T356 HydrophobicContact CD1-CG2 4.2Å; L275-T356 HydrophobicContact CD2-CG2 3.71Å; L275-T356 HydrophobicContact CG-CG2 4.29Å; F311-T356 HydrophobicContact CE2-CG2 3.85Å; F311-T356 HydrophobicContact CZ-CG2 4.1Å; I354-T356 HydrophobicContact CG2-CG2 3.94Å; I354-T356 PolarHBondContact O-N 3.27Å; I354-T356 VanDerWaalsContact O-N 3.11Å; I354-T356 PolarHBondContact O-OG1 3.28Å; T356-F360 HydrophobicContact CG2-CD1 4.01Å; T356-F360 HydrophobicContact CG2-CE1 4.34Å; T356-F360 HydrophobicContact CG2-CG 4.31Å; T356-H361 WeakPolarHBondContact CB-NE2 3.37Å; T356-H361 PolarHBondContact OG1-CE1 2.68Å; T356-H361 PolarHBondContact OG1-NE2 3.02Å
357D60.3Low68Low61 Ų6146 Ų4633%0.32624%0.244SC..  trans-64.9142.7168.9-172.3-22.1000109.9L359 F360 H361 Y476D357-L359 PolarHBondContact O-N 2.84Å; D357-L359 PolarHBondContact OD1-N 3.47Å; D357-F360 HydrophobicContact CB-CB 4.25Å; D357-F360 WeakPolarHBondContact O-CB 3.18Å; D357-F360 PolarHBondContact O-N 3.45Å; D357-H361 PolarHBondContact O-N 3.44Å; D357-Y476 VanDerWaalsContact OD1-CE2 3.28Å; D357-Y476 WeakPolarHBondContact OD1-CE2 3.46Å; D357-Y476 WeakPolarHBondContact OD2-CE2 3.24Å
358Q55.9Low67.5Low84 Ų8443.3 Ų43.339%0.39323%0.227SC..Hα-helixtrans-61.5-32174-66.3-175.215.400112.1F360 H361 A362 C473 H474Q358-F360 VanDerWaalsContact C-N 3.27Å; Q358-F360 PolarHBondContact O-N 2.82Å; Q358-H361 PolarHBondContact O-N 3.24Å; Q358-A362 PolarHBondContact O-N 3.42Å; Q358-C473 VanDerWaalsContact OE1-C 3.24Å; Q358-H474 PolarHBondContact NE2-O 3.18Å; Q358-H474 PolarHBondContact OE1-O 2.9Å
359L51.2Low66.5Low100 Ų10043.9 Ų43.952%0.52423%0.231SC..Hα-helixtrans-61-39173.3-17664.5000111D357 H361 A362 V363D357-L359 PolarHBondContact O-N 2.84Å; D357-L359 PolarHBondContact OD1-N 3.47Å; L359-H361 VanDerWaalsContact C-N 3.31Å; L359-H361 PolarHBondContact O-N 3.46Å; L359-A362 PolarHBondContact O-N 3.38Å; L359-V363 HydrophobicContact CD1-CG2 4.21Å; L359-V363 HydrophobicContact CG-CG2 4.29Å; L359-V363 WeakPolarHBondContact O-CB 3.46Å; L359-V363 WeakPolarHBondContact O-CG2 3.45Å; L359-V363 PolarHBondContact O-N 3.47Å
360F59.6Low65.5Low17 Ų1744.4 Ų44.48%0.07523%0.234CC..Hα-helixtrans-56.2-46.5176.2-179.5-72.1000110.9Y284 F311 T356 D357 Q358 W364Y284-F360 HydrophobicContact CD1-CD2 4.11Å; Y284-F360 AromaticContact CD1-CE2 3.81Å; Y284-F360 HydrophobicContact CD1-CE2 3.81Å; Y284-F360 HydrophobicContact CD1-CZ 4.26Å; Y284-F360 AromaticContact CE1-CD2 3.13Å; Y284-F360 HydrophobicContact CE1-CD2 3.13Å; Y284-F360 AromaticContact CE1-CE2 3.06Å; Y284-F360 HydrophobicContact CE1-CE2 3.06Å; Y284-F360 HydrophobicContact CE1-CG 4.03Å; Y284-F360 AromaticContact CE1-CZ 3.94Å; Y284-F360 HydrophobicContact CE1-CZ 3.94Å; Y284-F360 AromaticContact CZ-CD2 3.67Å; Y284-F360 AromaticContact CZ-CE2 3.47Å; Y284-F360 VanDerWaalsContact CZ-CE2 3.47Å; Y284-F360 WeakPolarHBondContact OH-CD2 3.27Å; F311-F360 AromaticContact CD1-CE1 3.92Å; F311-F360 HydrophobicContact CD1-CE1 3.92Å; F311-F360 AromaticContact CD2-CE1 3.64Å; F311-F360 HydrophobicContact CD2-CE1 3.64Å; F311-F360 AromaticContact CD2-CZ 3.75Å; F311-F360 HydrophobicContact CD2-CZ 3.75Å; F311-F360 HydrophobicContact CE1-CD1 4.3Å; F311-F360 AromaticContact CE1-CE1 3.59Å; F311-F360 HydrophobicContact CE1-CE1 3.59Å; F311-F360 HydrophobicContact CE2-CD1 4.14Å; F311-F360 AromaticContact CE2-CE1 3.3Å; F311-F360 HydrophobicContact CE2-CE1 3.3Å; F311-F360 AromaticContact CE2-CZ 3.78Å; F311-F360 HydrophobicContact CE2-CZ 3.78Å; F311-F360 AromaticContact CG-CE1 3.93Å; F311-F360 HydrophobicContact CG-CE1 3.93Å; F311-F360 HydrophobicContact CG-CZ 4.15Å; F311-F360 AromaticContact CZ-CD1 3.84Å; F311-F360 HydrophobicContact CZ-CD1 3.84Å; F311-F360 AromaticContact CZ-CE1 3.25Å; F311-F360 HydrophobicContact CZ-CE1 3.25Å; F311-F360 HydrophobicContact CZ-CZ 4.19Å; T356-F360 HydrophobicContact CG2-CD1 4.01Å; T356-F360 HydrophobicContact CG2-CE1 4.34Å; T356-F360 HydrophobicContact CG2-CG 4.31Å; D357-F360 HydrophobicContact CB-CB 4.25Å; D357-F360 WeakPolarHBondContact O-CB 3.18Å; D357-F360 PolarHBondContact O-N 3.45Å; Q358-F360 VanDerWaalsContact C-N 3.27Å; Q358-F360 PolarHBondContact O-N 2.82Å; F360-W364 HydrophobicContact CE1-CB 4.43Å; F360-W364 WeakPolarHBondContact O-CB 3.46Å; F360-W364 PolarHBondContact O-N 3.48Å
361H61.2Low65Low33 Ų3341.1 Ų41.115%0.15322%0.216CC..Hα-helixtrans-62.2-50179.4-62.4154.1000111.8L346 T356 D357 Q358 L359 V363 W364 I365L346-H361 HydrophobicContact CD2-CB 4.25Å; T356-H361 WeakPolarHBondContact CB-NE2 3.37Å; T356-H361 PolarHBondContact OG1-CE1 2.68Å; T356-H361 PolarHBondContact OG1-NE2 3.02Å; D357-H361 PolarHBondContact O-N 3.44Å; Q358-H361 PolarHBondContact O-N 3.24Å; L359-H361 VanDerWaalsContact C-N 3.31Å; L359-H361 PolarHBondContact O-N 3.46Å; H361-V363 VanDerWaalsContact C-N 3.28Å; H361-V363 PolarHBondContact O-N 2.93Å; H361-W364 PolarHBondContact O-N 3.28Å; H361-I365 WeakPolarHBondContact O-CB 3.44Å; H361-I365 WeakPolarHBondContact O-CD1 3.49Å; H361-I365 WeakPolarHBondContact O-CG1 3.49Å; H361-I365 PolarHBondContact O-N 3.49Å
362A53.5Low64.2Low45 Ų4539 Ų3937%0.37221%0.205SC..Hα-helixtrans-59-42.9-177.900000111.7Q358 L359 L366Q358-A362 PolarHBondContact O-N 3.42Å; L359-A362 PolarHBondContact O-N 3.38Å; A362-L366 WeakPolarHBondContact O-CB 3.27Å; A362-L366 PolarHBondContact O-N 2.96Å
363V55.1Low63.1Low9 Ų940.4 Ų40.46%0.05521%0.213CC..Hα-helixtrans-66.1-46.5178.2167.40000112L359 H361 I365 L366 C367 L524L359-V363 HydrophobicContact CD1-CG2 4.21Å; L359-V363 HydrophobicContact CG-CG2 4.29Å; L359-V363 WeakPolarHBondContact O-CB 3.46Å; L359-V363 WeakPolarHBondContact O-CG2 3.45Å; L359-V363 PolarHBondContact O-N 3.47Å; H361-V363 VanDerWaalsContact C-N 3.28Å; H361-V363 PolarHBondContact O-N 2.93Å; V363-I365 PolarHBondContact O-N 3.39Å; V363-L366 PolarHBondContact O-N 3.43Å; V363-C367 PolarHBondContact O-N 3.28Å; V363-C367 PolarHBondContact O-SG 3.28Å; V363-C367 VanDerWaalsContact O-SG 3.36Å; V363-L524 HydrophobicContact CB-CD1 4.47Å; V363-L524 HydrophobicContact CB-CD2 4.33Å; V363-L524 HydrophobicContact CG1-CD1 3.21Å; V363-L524 HydrophobicContact CG1-CD2 3.78Å; V363-L524 HydrophobicContact CG1-CG 3.9Å; V363-L524 HydrophobicContact CG2-CD2 3.54Å
364W66.9Low62.3Low0 Ų035.4 Ų35.40%019%0.187CC..Hα-helixtrans-61.8-44.2178.2175.775.6000111.6F311 N315 I342 T345 F360 H361 L366 C367 I368F311-W364 AromaticContact CD1-CD2 3.7Å; F311-W364 HydrophobicContact CD1-CD2 3.7Å; F311-W364 AromaticContact CD1-CE2 3.57Å; F311-W364 HydrophobicContact CD1-CE3 4.23Å; F311-W364 AromaticContact CD1-CG 3.98Å; F311-W364 HydrophobicContact CD1-CG 3.98Å; F311-W364 HydrophobicContact CD1-CH2 4.49Å; F311-W364 AromaticContact CD1-CZ2 3.97Å; F311-W364 HydrophobicContact CD1-CZ2 3.97Å; F311-W364 AromaticContact CD1-NE1 3.82Å; F311-W364 AromaticContact CE1-CD2 3.94Å; F311-W364 HydrophobicContact CE1-CD2 3.94Å; F311-W364 HydrophobicContact CE1-CE3 4.08Å; F311-W364 HydrophobicContact CE1-CG 4.29Å; F311-W364 HydrophobicContact CE1-CZ3 4.49Å; N315-W364 PolarHBondContact ND2-NE1 3.47Å; N315-W364 PolarHBondContact OD1-NE1 3.34Å; I342-W364 HydrophobicContact CB-CZ3 4.44Å; I342-W364 HydrophobicContact CG1-CH2 4.44Å; I342-W364 HydrophobicContact CG1-CZ3 4.25Å; I342-W364 HydrophobicContact CG2-CZ3 4.42Å; T345-W364 HydrophobicContact CG2-CH2 3.69Å; T345-W364 HydrophobicContact CG2-CZ2 4.18Å; T345-W364 HydrophobicContact CG2-CZ3 4.21Å; F360-W364 HydrophobicContact CE1-CB 4.43Å; F360-W364 WeakPolarHBondContact O-CB 3.46Å; F360-W364 PolarHBondContact O-N 3.48Å; H361-W364 PolarHBondContact O-N 3.28Å; W364-L366 VanDerWaalsContact C-N 3.34Å; W364-L366 PolarHBondContact O-N 2.79Å; W364-C367 PolarHBondContact O-N 3.29Å; W364-I368 HydrophobicContact CD2-CD1 3.88Å; W364-I368 HydrophobicContact CE3-CD1 4.25Å; W364-I368 HydrophobicContact CH2-CD1 3.59Å; W364-I368 HydrophobicContact CZ2-CD1 3.15Å; W364-I368 HydrophobicContact CZ2-CG1 4.43Å; W364-I368 HydrophobicContact CZ3-CD1 4.12Å; W364-I368 WeakPolarHBondContact O-CG1 3.46Å; W364-I368 PolarHBondContact O-N 2.97Å
365I61.8Low61.6Low27 Ų2735 Ų3514%0.13819%0.185CC..Hα-helixtrans-57.3-49.2174.3-66.7164.8000110.3I342 L346 H361 V363 C367 I368 C369I342-I365 HydrophobicContact CD1-CG2 4.37Å; I342-I365 HydrophobicContact CG2-CD1 4.36Å; I342-I365 HydrophobicContact CG2-CG1 3.88Å; I342-I365 HydrophobicContact CG2-CG2 4.46Å; L346-I365 HydrophobicContact CD1-CD1 3.99Å; L346-I365 HydrophobicContact CD2-CD1 4.39Å; H361-I365 WeakPolarHBondContact O-CB 3.44Å; H361-I365 WeakPolarHBondContact O-CD1 3.49Å; H361-I365 WeakPolarHBondContact O-CG1 3.49Å; H361-I365 PolarHBondContact O-N 3.49Å; V363-I365 PolarHBondContact O-N 3.39Å; I365-C367 PolarHBondContact O-N 3.45Å; I365-I368 PolarHBondContact O-N 3.09Å; I365-C369 PolarHBondContact O-N 3Å; I365-C369 PolarHBondContact O-SG 3.37Å; I365-C369 VanDerWaalsContact O-SG 3.33Å
366L58Low61.1Low50 Ų5026.6 Ų26.626%0.26215%0.146SC..Hα-helixtrans-58.2-48179.2-179.866.4000111.2A362 V363 W364 I368 C369 L370 I528A362-L366 WeakPolarHBondContact O-CB 3.27Å; A362-L366 PolarHBondContact O-N 2.96Å; V363-L366 PolarHBondContact O-N 3.43Å; W364-L366 VanDerWaalsContact C-N 3.34Å; W364-L366 PolarHBondContact O-N 2.79Å; L366-I368 PolarHBondContact O-N 3.4Å; L366-C369 PolarHBondContact O-N 3.38Å; L366-L370 HydrophobicContact CD1-CD1 3.84Å; L366-L370 HydrophobicContact CD1-CG 4.06Å; L366-L370 HydrophobicContact CD2-CD1 4.26Å; L366-L370 HydrophobicContact CG-CD1 3.61Å; L366-L370 HydrophobicContact CG-CG 4.24Å; L366-L370 WeakPolarHBondContact O-CB 3.28Å; L366-L370 WeakPolarHBondContact O-CG 3.24Å; L366-L370 PolarHBondContact O-N 3.49Å; L366-I528 HydrophobicContact CD2-CD1 4.28Å; L366-I528 HydrophobicContact CD2-CG1 4.25Å
367C63.6Low60.3Low2 Ų230 Ų301%0.01416%0.156CC..Hα-helixtrans-60-42.4178.2-73.20000112.6V363 W364 I365 N371V363-C367 PolarHBondContact O-N 3.28Å; V363-C367 PolarHBondContact O-SG 3.28Å; V363-C367 VanDerWaalsContact O-SG 3.36Å; W364-C367 PolarHBondContact O-N 3.29Å; I365-C367 PolarHBondContact O-N 3.45Å; C367-N371 VanDerWaalsContact O-CB 3.23Å; C367-N371 WeakPolarHBondContact O-CB 3.44Å; C367-N371 PolarHBondContact O-N 2.79Å
368I66.5Low59.9Low0 Ų033.6 Ų33.60%017%0.174CC..Hα-helixtrans-61.1-51.9175-69.6-173.7000110.3C286 Y288 L318 A338 I342 W364 I365 L366 L370 N371 T372C286-I368 HydrophobicContact CB-CG1 4.45Å; C286-I368 VanDerWaalsContact SG-CG1 3.54Å; Y288-I368 WeakPolarHBondContact OH-CG1 3.04Å; L318-I368 HydrophobicContact CD2-CG2 4.14Å; A338-I368 HydrophobicContact CB-CG2 4.09Å; I342-I368 HydrophobicContact CD1-CB 4.29Å; I342-I368 HydrophobicContact CD1-CG2 3.82Å; I342-I368 HydrophobicContact CG1-CB 4.48Å; I342-I368 HydrophobicContact CG1-CD1 4.15Å; I342-I368 HydrophobicContact CG1-CG2 4.1Å; W364-I368 HydrophobicContact CD2-CD1 3.88Å; W364-I368 HydrophobicContact CE3-CD1 4.25Å; W364-I368 HydrophobicContact CH2-CD1 3.59Å; W364-I368 HydrophobicContact CZ2-CD1 3.15Å; W364-I368 HydrophobicContact CZ2-CG1 4.43Å; W364-I368 HydrophobicContact CZ3-CD1 4.12Å; W364-I368 WeakPolarHBondContact O-CG1 3.46Å; W364-I368 PolarHBondContact O-N 2.97Å; I365-I368 PolarHBondContact O-N 3.09Å; L366-I368 PolarHBondContact O-N 3.4Å; I368-L370 PolarHBondContact O-N 3.37Å; I368-N371 PolarHBondContact O-N 2.87Å; I368-T372 WeakPolarHBondContact O-CB 3.29Å; I368-T372 PolarHBondContact O-N 2.64Å; I368-T372 PolarHBondContact O-OG1 3.34Å; I368-T372 VanDerWaalsContact O-OG1 3.06Å
369C64.6Low59.7Low13 Ų1332.2 Ų32.29%0.08817%0.169CC..Hα-helixtrans-58.2-48-178.9-69.50000111.6I365 L366 N371 T372 L373I365-C369 PolarHBondContact O-N 3Å; I365-C369 PolarHBondContact O-SG 3.37Å; I365-C369 VanDerWaalsContact O-SG 3.33Å; L366-C369 PolarHBondContact O-N 3.38Å; C369-N371 VanDerWaalsContact C-N 3.34Å; C369-N371 PolarHBondContact O-N 3.31Å; C369-T372 PolarHBondContact O-N 2.98Å; C369-L373 WeakPolarHBondContact O-CB 3.2Å; C369-L373 WeakPolarHBondContact O-CG 3.24Å; C369-L373 PolarHBondContact O-N 2.94Å
370L60.1Low59.4Low14 Ų1430.3 Ų30.37%0.07316%0.164CC..Hα-helixtrans-59.5-45.5178.5-69.9170.7000111.4L366 I368 L373 T374 Y531 I535L366-L370 HydrophobicContact CD1-CD1 3.84Å; L366-L370 HydrophobicContact CD1-CG 4.06Å; L366-L370 HydrophobicContact CD2-CD1 4.26Å; L366-L370 HydrophobicContact CG-CD1 3.61Å; L366-L370 HydrophobicContact CG-CG 4.24Å; L366-L370 WeakPolarHBondContact O-CB 3.28Å; L366-L370 WeakPolarHBondContact O-CG 3.24Å; L366-L370 PolarHBondContact O-N 3.49Å; I368-L370 PolarHBondContact O-N 3.37Å; L370-L373 WeakPolarHBondContact O-CB 3Å; L370-L373 PolarHBondContact O-N 2.88Å; L370-T374 PolarHBondContact O-N 3.22Å; L370-T374 PolarHBondContact O-OG1 3.4Å; L370-T374 VanDerWaalsContact O-OG1 3.09Å; L370-Y531 HydrophobicContact CB-CD1 3.85Å; L370-Y531 HydrophobicContact CB-CD2 4.06Å; L370-Y531 HydrophobicContact CB-CE1 4.27Å; L370-Y531 HydrophobicContact CB-CE2 4.43Å; L370-Y531 HydrophobicContact CB-CG 3.77Å; L370-Y531 HydrophobicContact CD1-CD2 3.69Å; L370-Y531 HydrophobicContact CD1-CG 3.79Å; L370-Y531 HydrophobicContact CG-CD2 4.5Å; L370-Y531 HydrophobicContact CG-CG 4.29Å; L370-I535 HydrophobicContact CD2-CD1 3.2Å; L370-I535 HydrophobicContact CD2-CG1 4.32Å
371N66.7Low58.8Low10 Ų1037.9 Ų37.95%0.05321%0.205CC..Hα-helixtrans-72-36.6-178.7-164.69.1000112.5C286 Y288 C367 I368 C369 L373 T374 N375 Y531C286-N371 PolarHBondContact O-ND2 2.97Å; Y288-N371 WeakPolarHBondContact CB-ND2 3.47Å; Y288-N371 HydrophobicContact CD2-CB 3.64Å; Y288-N371 WeakPolarHBondContact CD2-ND2 3.38Å; Y288-N371 HydrophobicContact CE2-CB 3.75Å; Y288-N371 VanDerWaalsContact CG-ND2 3.29Å; Y288-N371 PolarHBondContact N-ND2 3.31Å; C367-N371 VanDerWaalsContact O-CB 3.23Å; C367-N371 WeakPolarHBondContact O-CB 3.44Å; C367-N371 PolarHBondContact O-N 2.79Å; I368-N371 PolarHBondContact O-N 2.87Å; C369-N371 VanDerWaalsContact C-N 3.34Å; C369-N371 PolarHBondContact O-N 3.31Å; N371-L373 VanDerWaalsContact C-N 3.32Å; N371-L373 PolarHBondContact O-N 3.22Å; N371-T374 PolarHBondContact O-N 3.4Å; N371-N375 PolarHBondContact O-N 3.35Å; N371-N375 PolarHBondContact O-ND2 2.81Å; N371-N375 PolarHBondContact OD1-ND2 3.46Å; N371-Y531 HydrophobicContact CB-CE1 4.27Å
372T65.6Low58Low0 Ų042.7 Ų42.70%022%0.222CC..Hα-helixtrans-59.1-44.3171.1-64.30000111.1F334 P335 A338 I368 C369 N375 I376 L394F334-T372 HydrophobicContact CD1-CG2 3.77Å; F334-T372 HydrophobicContact CE1-CG2 3.84Å; F334-T372 HydrophobicContact CG-CG2 4.17Å; F334-T372 HydrophobicContact CZ-CG2 4.27Å; P335-T372 HydrophobicContact CG-CG2 4.32Å; A338-T372 HydrophobicContact CB-CG2 4.15Å; A338-T372 WeakPolarHBondContact CB-OG1 3.45Å; I368-T372 WeakPolarHBondContact O-CB 3.29Å; I368-T372 PolarHBondContact O-N 2.64Å; I368-T372 PolarHBondContact O-OG1 3.34Å; I368-T372 VanDerWaalsContact O-OG1 3.06Å; C369-T372 PolarHBondContact O-N 2.98Å; T372-N375 PolarHBondContact O-N 3.31Å; T372-I376 HydrophobicContact CG2-CD1 3.7Å; T372-I376 VanDerWaalsContact O-CD1 3.28Å; T372-I376 WeakPolarHBondContact O-CD1 3.44Å; T372-I376 VanDerWaalsContact O-CG1 3.29Å; T372-I376 WeakPolarHBondContact O-CG1 3.48Å; T372-I376 PolarHBondContact O-N 3.13Å; T372-I376 VanDerWaalsContact O-N 3.16Å; T372-L394 HydrophobicContact CG2-CD2 3.68Å
373L60Low57.7Low31 Ų3143.8 Ų43.816%0.16223%0.227CC..Hα-helixtrans-62.1-46176.5-71168000112.5C369 L370 N371 N375 R377 I391C369-L373 WeakPolarHBondContact O-CB 3.2Å; C369-L373 WeakPolarHBondContact O-CG 3.24Å; C369-L373 PolarHBondContact O-N 2.94Å; L370-L373 WeakPolarHBondContact O-CB 3Å; L370-L373 PolarHBondContact O-N 2.88Å; N371-L373 VanDerWaalsContact C-N 3.32Å; N371-L373 PolarHBondContact O-N 3.22Å; L373-N375 VanDerWaalsContact C-N 3.34Å; L373-N375 PolarHBondContact O-N 3.11Å; L373-R377 PolarHBondContact O-N 3.13Å; L373-I391 HydrophobicContact CD2-CB 4.27Å; L373-I391 HydrophobicContact CD2-CD1 3.92Å; L373-I391 HydrophobicContact CD2-CG1 3.68Å; L373-I391 HydrophobicContact CD2-CG2 3.73Å
374T60.1Low57.3Low22 Ų2249 Ų4914%0.13525%0.252CS..Hα-helixtrans-59.6-43.8178.1-59.80000111.5L370 N371 R377 L378 Q534L370-T374 PolarHBondContact O-N 3.22Å; L370-T374 PolarHBondContact O-OG1 3.4Å; L370-T374 VanDerWaalsContact O-OG1 3.09Å; N371-T374 PolarHBondContact O-N 3.4Å; T374-R377 PolarHBondContact O-N 3.31Å; T374-L378 PolarHBondContact O-N 3.15Å; T374-Q534 PolarHBondContact OG1-OE1 3.38Å
375N63.9Low56.3Low8 Ų853.5 Ų53.54%0.04328%0.277CS..Hα-helixtrans-70.4-41.3-176.3-78.6-58.8000114.4Y288 L290 F334 N371 T372 L373 R377 L378Y288-N375 WeakPolarHBondContact CB-ND2 3.47Å; L290-N375 HydrophobicContact CD1-CB 3.98Å; L290-N375 WeakPolarHBondContact CD1-OD1 3.22Å; L290-N375 HydrophobicContact CD2-CB 4.22Å; L290-N375 HydrophobicContact CG-CB 4.27Å; L290-N375 WeakPolarHBondContact CG-OD1 3.49Å; F334-N375 HydrophobicContact CE1-CB 4.1Å; N371-N375 PolarHBondContact O-N 3.35Å; N371-N375 PolarHBondContact O-ND2 2.81Å; N371-N375 PolarHBondContact OD1-ND2 3.46Å; T372-N375 PolarHBondContact O-N 3.31Å; L373-N375 VanDerWaalsContact C-N 3.34Å; L373-N375 PolarHBondContact O-N 3.11Å; N375-R377 PolarHBondContact O-N 3.13Å; N375-L378 PolarHBondContact O-N 2.71Å
376I60.7Low55.6Low5 Ų556.4 Ų56.43%0.02629%0.292CS..Hα-helixtrans-62.1-30.5177.8-66159.1000110.7F334 P335 T372 V387F334-I376 HydrophobicContact CD1-CD1 4.43Å; F334-I376 HydrophobicContact CD1-CG1 4.12Å; P335-I376 VanDerWaalsContact CD-CD1 3.49Å; P335-I376 HydrophobicContact CG-CD1 3.18Å; P335-I376 HydrophobicContact CG-CG1 4.42Å; T372-I376 HydrophobicContact CG2-CD1 3.7Å; T372-I376 VanDerWaalsContact O-CD1 3.28Å; T372-I376 WeakPolarHBondContact O-CD1 3.44Å; T372-I376 VanDerWaalsContact O-CG1 3.29Å; T372-I376 WeakPolarHBondContact O-CG1 3.48Å; T372-I376 PolarHBondContact O-N 3.13Å; T372-I376 VanDerWaalsContact O-N 3.16Å; I376-V387 HydrophobicContact CG2-CB 4.2Å; I376-V387 HydrophobicContact CG2-CG1 3.52Å; I376-V387 HydrophobicContact CG2-CG2 3.82Å
377R50.6Low55.1Low100 Ų10055.2 Ų55.238%0.37729%0.287SS..Hα-helixtrans-83.1-24.7-177.4-165.8157.4171.3173.11.8114.2L373 T374 N375 D379 S380 L538L373-R377 PolarHBondContact O-N 3.13Å; T374-R377 PolarHBondContact O-N 3.31Å; N375-R377 PolarHBondContact O-N 3.13Å; R377-D379 PolarHBondContact O-N 3.25Å; R377-S380 WeakPolarHBondContact O-CB 3.3Å; R377-S380 PolarHBondContact O-N 3.22Å; R377-S380 PolarHBondContact O-OG 3Å; R377-S380 VanDerWaalsContact O-OG 3.11Å; R377-L538 HydrophobicContact CB-CD2 4.28Å; R377-L538 HydrophobicContact CG-CD2 3.66Å; R377-L538 VanDerWaalsContact NE-CD2 3.32Å; R377-L538 VanDerWaalsContact NH1-CB 3.33Å; R377-L538 PolarHBondContact NH1-O 3.28Å; R377-L538 PolarHBondContact NH2-O 2.98Å
378L53.2Low54.3Low136 Ų13656.1 Ų56.171%0.71229%0.292SS*.Hα-helixtrans-65.3-17.4172.7-72.5171.7000113T374 N375T374-L378 PolarHBondContact O-N 3.15Å; N375-L378 PolarHBondContact O-N 2.71Å
379D51.5Low53.4Low55 Ų5562 Ų6229%0.29432%0.317SS..THydrogen-bonded Turntrans-99.89.1179.2-163.435.6000113.6L331 R377 D381L331-D379 HydrophobicContact CD1-CB 3.53Å; L331-D379 WeakPolarHBondContact CD1-OD2 3.33Å; R377-D379 PolarHBondContact O-N 3.25Å; D379-D381 PolarHBondContact O-N 3.44Å
380S43.4Very low52.5Low59 Ų5962 Ų6241%0.41332%0.317SS..  trans-76.537.4-163770000117.1R377 R382R377-S380 WeakPolarHBondContact O-CB 3.3Å; R377-S380 PolarHBondContact O-N 3.22Å; R377-S380 PolarHBondContact O-OG 3Å; R377-S380 VanDerWaalsContact O-OG 3.11Å; S380-R382 PolarHBondContact O-N 3.4Å
381D47.5Very low51.8Low176 Ų17662.2 Ų62.294%0.94132%0.318SS*.SBendtrans-70.62159.2-87.5-17.4000112.1D379D379-D381 PolarHBondContact O-N 3.44Å
382R44Very low50.8Low134 Ų13463.2 Ų63.251%0.50632%0.323SS..SBendtrans-112.8159.6-171.8-65.9-179.3175.8-120.5-13.9114D329 S380 M384D329-R382 IonicContact OD1-CZ 2.64Å; D329-R382 IonicContact OD1-NE 2.9Å; D329-R382 PolarHBondContact OD1-NE 2.88Å; D329-R382 VanDerWaalsContact OD1-NE 3.16Å; D329-R382 IonicContact OD1-NH1 2.79Å; D329-R382 PolarHBondContact OD1-NH1 2.92Å; D329-R382 IonicContact OD1-NH2 2.64Å; D329-R382 PolarHBondContact OD1-NH2 2.9Å; D329-R382 IonicContact OD2-CZ 2.92Å; D329-R382 IonicContact OD2-NH1 3.45Å; D329-R382 PolarHBondContact OD2-NH1 2.64Å; D329-R382 IonicContact OD2-NH2 2.9Å; D329-R382 PolarHBondContact OD2-NH2 2.57Å; S380-R382 PolarHBondContact O-N 3.4Å; R382-M384 PolarHBondContact O-N 2.62Å
383S48.5Very low50Low69 Ų6967.2 Ų67.248%0.48334%0.342SS..  trans-49.2112.4-172.8430000112D385 D386S383-D385 PolarHBondContact O-N 2.9Å; S383-D386 PolarHBondContact O-N 3.43Å; S383-D386 PolarHBondContact OG-OD2 3.24Å
384M46.2Very low49.2Very low118 Ų11865.8 Ų65.858%0.58133%0.334SS*.Hα-helixtrans-47.7-29.4179.8-164.481.780.500113R382 N388R382-M384 PolarHBondContact O-N 2.62Å; M384-N388 VanDerWaalsContact O-CB 3.29Å; M384-N388 WeakPolarHBondContact O-CB 3.33Å; M384-N388 PolarHBondContact O-N 3.28Å; M384-N388 PolarHBondContact O-ND2 3.11Å
385D45.1Very low48.3Very low95 Ų9566 Ų6651%0.50833%0.334SS..Hα-helixtrans-64.3-42.5-176.2-62.5-28.5000114.2S383 N388 K389S383-D385 PolarHBondContact O-N 2.9Å; D385-N388 PolarHBondContact O-N 3.46Å; D385-K389 PolarHBondContact O-N 3.23Å
386D47.9Very low47.3Very low88 Ų8868.7 Ų68.747%0.47135%0.349SS..Hα-helixtrans-72.2-38.6-179-70.1-42000111.3S383 K389 S390S383-D386 PolarHBondContact O-N 3.43Å; S383-D386 PolarHBondContact OG-OD2 3.24Å; D386-K389 PolarHBondContact O-N 3.02Å; D386-S390 WeakPolarHBondContact O-CB 3.34Å; D386-S390 PolarHBondContact O-N 3.24Å; D386-S390 PolarHBondContact O-OG 2.99Å
387V47.1Very low46.4Very low24 Ų2470 Ų7015%0.14536%0.358CS..Hα-helixtrans-61.2-48.3172.5169.70000109.6I376 K389 S390 I391I376-V387 HydrophobicContact CG2-CB 4.2Å; I376-V387 HydrophobicContact CG2-CG1 3.52Å; I376-V387 HydrophobicContact CG2-CG2 3.82Å; V387-K389 PolarHBondContact O-N 3.01Å; V387-S390 PolarHBondContact O-N 3.45Å; V387-I391 HydrophobicContact CG1-CD1 3.54Å; V387-I391 HydrophobicContact CG1-CG1 4.22Å; V387-I391 WeakPolarHBondContact O-CB 3.49Å; V387-I391 WeakPolarHBondContact O-CG1 3.33Å; V387-I391 PolarHBondContact O-N 3.26Å
388N46.2Very low45.8Very low21 Ų2166 Ų6611%0.11235%0.346CS..Hα-helixtrans-58.8-44.9178.1-75.8-21.3000112.1M384 D385 S390 I391 I392 T456M384-N388 VanDerWaalsContact O-CB 3.29Å; M384-N388 WeakPolarHBondContact O-CB 3.33Å; M384-N388 PolarHBondContact O-N 3.28Å; M384-N388 PolarHBondContact O-ND2 3.11Å; D385-N388 PolarHBondContact O-N 3.46Å; N388-S390 VanDerWaalsContact C-N 3.35Å; N388-S390 PolarHBondContact O-N 3.33Å; N388-I391 PolarHBondContact O-N 2.85Å; N388-I392 WeakPolarHBondContact O-CB 3.46Å; N388-I392 WeakPolarHBondContact O-CD1 3.33Å; N388-I392 WeakPolarHBondContact O-CG1 3.45Å; N388-I392 PolarHBondContact O-N 3.42Å; N388-T456 PolarHBondContact ND2-OG1 2.74Å
389K48.9Very low45Very low125 Ų12560.5 Ų60.554%0.54332%0.316SS..Hα-helixtrans-61.5-43177.1-171.8-177.7175.2-169.90112.2D385 D386 V387 I392 E393D385-K389 PolarHBondContact O-N 3.23Å; D386-K389 PolarHBondContact O-N 3.02Å; V387-K389 PolarHBondContact O-N 3.01Å; K389-I392 WeakPolarHBondContact O-CB 3.38Å; K389-I392 PolarHBondContact O-N 3.34Å; K389-E393 WeakPolarHBondContact CE-OE1 3.42Å; K389-E393 PolarHBondContact O-N 3.08Å
390S45.5Very low44.4Very low11 Ų1159.8 Ų59.88%0.07732%0.315CS..Hα-helixtrans-70.2-37.4-179-47.50000111.4N332 P335 D386 V387 N388 E393 L394N332-S390 VanDerWaalsContact O-CB 3.27Å; N332-S390 WeakPolarHBondContact O-CB 3.32Å; N332-S390 PolarHBondContact O-OG 3.4Å; P335-S390 WeakPolarHBondContact CB-O 3.4Å; D386-S390 WeakPolarHBondContact O-CB 3.34Å; D386-S390 PolarHBondContact O-N 3.24Å; D386-S390 PolarHBondContact O-OG 2.99Å; V387-S390 PolarHBondContact O-N 3.45Å; N388-S390 VanDerWaalsContact C-N 3.35Å; N388-S390 PolarHBondContact O-N 3.33Å; S390-E393 PolarHBondContact O-N 2.79Å; S390-L394 PolarHBondContact O-N 3.25Å
391I46.1Very low43.9Very low20 Ų2057.6 Ų57.610%0.10330%0.3CS..Hα-helixtrans-61.5-44.8170.5-69.5172.9000110.6L373 V387 N388 E393 L394 L395 M460L373-I391 HydrophobicContact CD2-CB 4.27Å; L373-I391 HydrophobicContact CD2-CD1 3.92Å; L373-I391 HydrophobicContact CD2-CG1 3.68Å; L373-I391 HydrophobicContact CD2-CG2 3.73Å; V387-I391 HydrophobicContact CG1-CD1 3.54Å; V387-I391 HydrophobicContact CG1-CG1 4.22Å; V387-I391 WeakPolarHBondContact O-CB 3.49Å; V387-I391 WeakPolarHBondContact O-CG1 3.33Å; V387-I391 PolarHBondContact O-N 3.26Å; N388-I391 PolarHBondContact O-N 2.85Å; I391-E393 VanDerWaalsContact C-N 3.35Å; I391-E393 PolarHBondContact O-N 2.9Å; I391-L394 PolarHBondContact O-N 2.82Å; I391-L395 HydrophobicContact CG2-CD1 3.64Å; I391-L395 HydrophobicContact CG2-CG 4.23Å; I391-L395 WeakPolarHBondContact O-CB 3.49Å; I391-L395 VanDerWaalsContact O-CG 3.26Å; I391-L395 WeakPolarHBondContact O-CG 3.17Å; I391-L395 PolarHBondContact O-N 3.06Å; I391-M460 HydrophobicContact CG2-CE 3.92Å
392I45.7Very low43.2Very low30 Ų3050 Ų5015%0.15426%0.259CS..Hα-helixtrans-57.7-48.3175.5-68.6156.7000110.3N388 K389 L395 D396 Y459 L463N388-I392 WeakPolarHBondContact O-CB 3.46Å; N388-I392 WeakPolarHBondContact O-CD1 3.33Å; N388-I392 WeakPolarHBondContact O-CG1 3.45Å; N388-I392 PolarHBondContact O-N 3.42Å; K389-I392 WeakPolarHBondContact O-CB 3.38Å; K389-I392 PolarHBondContact O-N 3.34Å; I392-L395 PolarHBondContact O-N 2.81Å; I392-D396 WeakPolarHBondContact O-CB 3.33Å; I392-D396 PolarHBondContact O-N 3.16Å; I392-Y459 HydrophobicContact CD1-CD1 4.13Å; I392-Y459 HydrophobicContact CD1-CD2 4.49Å; I392-Y459 HydrophobicContact CD1-CG 3.96Å; I392-L463 HydrophobicContact CB-CD1 4.13Å; I392-L463 HydrophobicContact CG1-CD1 3.52Å; I392-L463 HydrophobicContact CG1-CG 4.44Å; I392-L463 HydrophobicContact CG2-CD1 4.32Å; I392-L463 HydrophobicContact CG2-CG 4.41Å
393E47Very low42.5Very low84 Ų8446.7 Ų46.739%0.39325%0.252SS..Hα-helixtrans-61-51.7177.9-73.4175-17000111.4K389 S390 I391 L395 D396 T397K389-E393 WeakPolarHBondContact CE-OE1 3.42Å; K389-E393 PolarHBondContact O-N 3.08Å; S390-E393 PolarHBondContact O-N 2.79Å; I391-E393 VanDerWaalsContact C-N 3.35Å; I391-E393 PolarHBondContact O-N 2.9Å; E393-L395 VanDerWaalsContact C-N 3.32Å; E393-L395 PolarHBondContact O-N 3.33Å; E393-D396 PolarHBondContact O-N 2.82Å; E393-T397 VanDerWaalsContact O-CB 3.3Å; E393-T397 WeakPolarHBondContact O-CB 3.29Å; E393-T397 PolarHBondContact O-N 3.27Å; E393-T397 PolarHBondContact O-OG1 2.79Å
394L43.9Very low41.6Very low1 Ų147.5 Ų47.51%0.00525%0.25CC..Hα-helixtrans-59.2-41.9179.3168.378.3000113P335 A338 T372 S390 I391 A398P335-L394 HydrophobicContact CB-CB 3.52Å; P335-L394 HydrophobicContact CB-CD2 4.23Å; P335-L394 HydrophobicContact CB-CG 4.37Å; P335-L394 VanDerWaalsContact O-CD1 3.27Å; P335-L394 WeakPolarHBondContact O-CD1 3.49Å; A338-L394 HydrophobicContact CB-CD1 4.02Å; T372-L394 HydrophobicContact CG2-CD2 3.68Å; S390-L394 PolarHBondContact O-N 3.25Å; I391-L394 PolarHBondContact O-N 2.82Å; L394-A398 PolarHBondContact O-N 3.22Å
395L42.1Very low40.8Very low26 Ų2645.5 Ų45.514%0.13624%0.241CC..Hα-helixtrans-66.5-58.5177.1-69.5174.7000109.8I391 I392 E393 T397 A398 F399 L463I391-L395 HydrophobicContact CG2-CD1 3.64Å; I391-L395 HydrophobicContact CG2-CG 4.23Å; I391-L395 WeakPolarHBondContact O-CB 3.49Å; I391-L395 VanDerWaalsContact O-CG 3.26Å; I391-L395 WeakPolarHBondContact O-CG 3.17Å; I391-L395 PolarHBondContact O-N 3.06Å; I392-L395 PolarHBondContact O-N 2.81Å; E393-L395 VanDerWaalsContact C-N 3.32Å; E393-L395 PolarHBondContact O-N 3.33Å; L395-T397 PolarHBondContact O-N 2.86Å; L395-A398 WeakPolarHBondContact O-CB 3.35Å; L395-A398 PolarHBondContact O-N 3.35Å; L395-F399 VanDerWaalsContact C-CD2 3.47Å; L395-F399 HydrophobicContact CB-CE2 3.74Å; L395-F399 HydrophobicContact CB-CZ 3.71Å; L395-F399 HydrophobicContact CD2-CZ 4.27Å; L395-F399 WeakPolarHBondContact O-CD2 3.06Å; L395-F399 WeakPolarHBondContact O-CE1 3.39Å; L395-F399 WeakPolarHBondContact O-CE2 3.45Å; L395-F399 VanDerWaalsContact O-CG 3.29Å; L395-F399 WeakPolarHBondContact O-CG 3.3Å; L395-F399 WeakPolarHBondContact O-CZ 3.47Å; L395-F399 PolarHBondContact O-N 3.48Å; L395-L463 HydrophobicContact CB-CD2 3.29Å; L395-L463 HydrophobicContact CD1-CD1 4.12Å; L395-L463 HydrophobicContact CD1-CD2 3.96Å; L395-L463 HydrophobicContact CG-CD2 4.28Å
396D42.7Very low40.1Very low66 Ų6645.2 Ų45.235%0.35324%0.236SC..Hα-helixtrans-46.4-34.9177.7-88.5-11.8000112.2I392 E393 F399 S400I392-D396 WeakPolarHBondContact O-CB 3.33Å; I392-D396 PolarHBondContact O-N 3.16Å; E393-D396 PolarHBondContact O-N 2.82Å; D396-F399 VanDerWaalsContact CA-CD2 3.41Å; D396-F399 WeakPolarHBondContact O-CB 3.38Å; D396-F399 PolarHBondContact O-N 3.1Å; D396-S400 PolarHBondContact O-N 3.04Å
397T41.2Very low39.2Very low33 Ų3347 Ų4720%0.20225%0.246CC..Hα-helixtrans-90.1-29.5-174.3-26.20000113.7Y339 E393 L395 F399 S400 C401Y339-T397 HydrophobicContact CD1-CG2 3.8Å; Y339-T397 HydrophobicContact CD2-CG2 3.62Å; Y339-T397 HydrophobicContact CE1-CG2 3.32Å; Y339-T397 VanDerWaalsContact CE2-C 3.45Å; Y339-T397 HydrophobicContact CE2-CG2 3.07Å; Y339-T397 WeakPolarHBondContact CE2-O 3.44Å; Y339-T397 HydrophobicContact CG-CG2 3.93Å; Y339-T397 WeakPolarHBondContact OH-CG2 3.32Å; E393-T397 VanDerWaalsContact O-CB 3.3Å; E393-T397 WeakPolarHBondContact O-CB 3.29Å; E393-T397 PolarHBondContact O-N 3.27Å; E393-T397 PolarHBondContact O-OG1 2.79Å; L395-T397 PolarHBondContact O-N 2.86Å; T397-F399 PolarHBondContact O-N 3.3Å; T397-F399 VanDerWaalsContact O-N 3.11Å; T397-S400 VanDerWaalsContact CG2-OG 3.28Å; T397-S400 WeakPolarHBondContact CG2-OG 3.44Å; T397-S400 PolarHBondContact O-N 3.38Å; T397-S400 PolarHBondContact O-OG 2.79Å; T397-S400 VanDerWaalsContact O-OG 3.06Å; T397-C401 PolarHBondContact O-N 2.8Å
398A37.7Very low38.2Very low16 Ų1650.8 Ų50.813%0.13226%0.264CS..Hα-helixtrans-53.5-26.4160.600000111.6L394 L395L394-A398 PolarHBondContact O-N 3.22Å; L395-A398 WeakPolarHBondContact O-CB 3.35Å; L395-A398 PolarHBondContact O-N 3.35Å
399F37.4Very low37.3Very low20 Ų2056.2 Ų56.29%0.08829%0.294CS..Hα-helixtrans-84.1-29.1177.3-44.7-36.6000114L395 D396 T397 L463 I467L395-F399 VanDerWaalsContact C-CD2 3.47Å; L395-F399 HydrophobicContact CB-CE2 3.74Å; L395-F399 HydrophobicContact CB-CZ 3.71Å; L395-F399 HydrophobicContact CD2-CZ 4.27Å; L395-F399 WeakPolarHBondContact O-CD2 3.06Å; L395-F399 WeakPolarHBondContact O-CE1 3.39Å; L395-F399 WeakPolarHBondContact O-CE2 3.45Å; L395-F399 VanDerWaalsContact O-CG 3.29Å; L395-F399 WeakPolarHBondContact O-CG 3.3Å; L395-F399 WeakPolarHBondContact O-CZ 3.47Å; L395-F399 PolarHBondContact O-N 3.48Å; D396-F399 VanDerWaalsContact CA-CD2 3.41Å; D396-F399 WeakPolarHBondContact O-CB 3.38Å; D396-F399 PolarHBondContact O-N 3.1Å; T397-F399 PolarHBondContact O-N 3.3Å; T397-F399 VanDerWaalsContact O-N 3.11Å; F399-L463 HydrophobicContact CE2-CD2 3.83Å; F399-I467 HydrophobicContact CD1-CB 3.79Å; F399-I467 HydrophobicContact CD1-CG1 4.17Å; F399-I467 HydrophobicContact CD1-CG2 3.7Å; F399-I467 VanDerWaalsContact CD1-O 3.26Å; F399-I467 WeakPolarHBondContact CD1-O 3.49Å; F399-I467 HydrophobicContact CD2-CB 4.29Å; F399-I467 HydrophobicContact CD2-CG1 3.95Å; F399-I467 HydrophobicContact CE1-CB 3.48Å; F399-I467 VanDerWaalsContact CE1-CB 3.48Å; F399-I467 HydrophobicContact CE1-CD1 3.96Å; F399-I467 HydrophobicContact CE1-CG1 3.56Å; F399-I467 HydrophobicContact CE1-CG2 3.13Å; F399-I467 HydrophobicContact CE2-CB 3.95Å; F399-I467 HydrophobicContact CE2-CD1 3.75Å; F399-I467 HydrophobicContact CE2-CG1 3.24Å; F399-I467 HydrophobicContact CE2-CG2 4.44Å; F399-I467 VanDerWaalsContact CG-CA 3.44Å; F399-I467 HydrophobicContact CG-CB 4.28Å; F399-I467 HydrophobicContact CG-CG1 4.42Å; F399-I467 HydrophobicContact CZ-CB 3.56Å; F399-I467 HydrophobicContact CZ-CD1 3.23Å; F399-I467 HydrophobicContact CZ-CG1 3.04Å; F399-I467 HydrophobicContact CZ-CG2 3.57Å
400S37.6Very low36.1Very low40 Ų4057.3 Ų57.328%0.2830%0.298SS..Hα-helixtrans-78.3-28.8-178.777.50000113.9D396 T397 N402 N403D396-S400 PolarHBondContact O-N 3.04Å; T397-S400 VanDerWaalsContact CG2-OG 3.28Å; T397-S400 WeakPolarHBondContact CG2-OG 3.44Å; T397-S400 PolarHBondContact O-N 3.38Å; T397-S400 PolarHBondContact O-OG 2.79Å; T397-S400 VanDerWaalsContact O-OG 3.06Å; S400-N402 PolarHBondContact O-N 3.29Å; S400-N402 VanDerWaalsContact O-N 3.14Å; S400-N403 PolarHBondContact O-N 3.47Å
401C32.6Very low35.2Very low12 Ų1263.4 Ų63.48%0.08134%0.336CS..Hα-helixtrans-67.8-13-179.6-74.70000113.4Y339 C343 T397Y339-C401 WeakPolarHBondContact CE2-SG 3.31Å; Y339-C401 PolarHBondContact OH-SG 3.21Å; C343-C401 HydrophobicContact CB-CB 4.41Å; C343-C401 WeakPolarHBondContact CB-SG 3.5Å; C343-C401 WeakPolarHBondContact SG-CB 3.43Å; C343-C401 CovalentContact SG-SG 2.04Å; C343-C401 PolarHBondContact SG-SG 3.07Å; T397-C401 PolarHBondContact O-N 2.8Å
402N33.5Very low34.2Very low18 Ų1873.6 Ų73.610%0.09637%0.373CS..Hα-helixtrans-74.6-33.4168.2-75.9-28.7000114S400 I404 L405 E406 H470 F471S400-N402 PolarHBondContact O-N 3.29Å; S400-N402 VanDerWaalsContact O-N 3.14Å; N402-I404 PolarHBondContact O-N 3.29Å; N402-L405 PolarHBondContact O-N 3.15Å; N402-E406 PolarHBondContact O-N 2.74Å; N402-H470 WeakPolarHBondContact CB-O 3.44Å; N402-F471 WeakPolarHBondContact ND2-CD1 3.47Å; N402-F471 WeakPolarHBondContact ND2-CD2 3.32Å; N402-F471 VanDerWaalsContact ND2-CE1 3.27Å; N402-F471 WeakPolarHBondContact ND2-CE1 3.48Å; N402-F471 WeakPolarHBondContact ND2-CE2 3.29Å; N402-F471 WeakPolarHBondContact ND2-CG 3.38Å; N402-F471 WeakPolarHBondContact ND2-CZ 3.36Å
403N29.6Very low33.2Very low64 Ų6479 Ų7934%0.34240%0.401SS..Hα-helixtrans-67.4-21.6176.6-73.1-12.7000112.3S400 N407 H470S400-N403 PolarHBondContact O-N 3.47Å; N403-N407 PolarHBondContact O-ND2 2.97Å; N403-H470 PolarHBondContact OD1-CD2 2.78Å
404I29.8Very low32Very low86 Ų8680 Ų8044%0.44142%0.418SS..Hα-helixtrans-78.6-31.4177-61.2176.2000111N402 E406 N407 I408N402-I404 PolarHBondContact O-N 3.29Å; I404-E406 VanDerWaalsContact C-N 3.35Å; I404-N407 PolarHBondContact O-N 3.34Å; I404-I408 HydrophobicContact CG2-CD1 4.19Å; I404-I408 PolarHBondContact O-N 3.08Å
405L29.3Very low31Very low75 Ų7589.6 Ų89.639%0.39346%0.459SS..Hα-helixtrans-67.2-33.5174.2-80.7160.4000112.2N402 N407N402-L405 PolarHBondContact O-N 3.15Å; L405-N407 VanDerWaalsContact C-N 3.34Å; L405-N407 PolarHBondContact O-N 2.9Å
406E30.4Very low30Very low89 Ų8995.9 Ų95.942%0.41649%0.492SS..Hα-helixtrans-66.9-32.6173.6-80.3-165.9152.200112.9N402 I404 R472N402-E406 PolarHBondContact O-N 2.74Å; I404-E406 VanDerWaalsContact C-N 3.35Å; E406-R472 WeakPolarHBondContact OE1-CD 3.15Å; E406-R472 IonicContact OE1-NH1 3.66Å; E406-R472 PolarHBondContact OE1-NH1 3.3Å
407N28Very low29Very low127 Ų12797.6 Ų97.668%0.67951%0.509SS*.Hα-helixtrans-82.2-17.8-175-80.8-41.8000114.9N403 I404 L405 N409N403-N407 PolarHBondContact O-ND2 2.97Å; I404-N407 PolarHBondContact O-N 3.34Å; L405-N407 VanDerWaalsContact C-N 3.34Å; L405-N407 PolarHBondContact O-N 2.9Å; N407-N409 VanDerWaalsContact C-N 3.33Å; N407-N409 PolarHBondContact O-N 3.28Å
408I26.9Very low28.2Very low102 Ų102105.1 Ų105.152%0.52354%0.54SS..Hα-helixtrans-78.5-17-177.4-67.8173.7000112.4I404I404-I408 HydrophobicContact CG2-CD1 4.19Å; I404-I408 PolarHBondContact O-N 3.08Å
409N27.1Very low27.4Very low136 Ų136113.2 Ų113.273%0.72757%0.574SS**SBendtrans-105.4-0.2-174.9-82-17.6000117.2N407N407-N409 VanDerWaalsContact C-N 3.33Å; N407-N409 PolarHBondContact O-N 3.28Å
410F24.1Very low26.7Very low147 Ų147123.8 Ų123.865%0.64561%0.614SS**  trans-113.75.1-173.9-82-73.6000118.3R412 L413F410-R412 PolarHBondContact O-N 2.9Å; F410-L413 HydrophobicContact CE1-CD1 4.42Å
411T26.7Very low26.1Very low140 Ų140126.3 Ų126.386%0.85963%0.631SS**THydrogen-bonded Turntrans-67.811.2172.134.40000115.4
412R25.3Very low25.5Very low233 Ų233131.1 Ų131.188%0.87967%0.665SS**THydrogen-bonded Turntrans-121.36.5175.2-97.2-170.6179.4-172.71.5118.2F410F410-R412 PolarHBondContact O-N 2.9Å
413L23.5Very low25.2Very low143 Ų143135.4 Ų135.475%0.74970%0.696SS**  trans-120.279.3172.7-72.2167000111.5F410F410-L413 HydrophobicContact CE1-CD1 4.42Å
414S22.1Very low24.9Very low106 Ų106137.8 Ų137.874%0.74172%0.718SS**  trans-52.5133164.651.80000112.5
415K22.6Very low24.8Very low202 Ų202138.9 Ų138.988%0.87873%0.733SS**  trans50.690.5148.4-69179.5175.6176.30116.6
416L23.1Very low24.5Very low158 Ų158140.4 Ų140.483%0.82775%0.75SS**  trans-133.297142.3-94.7157.4000108.6F418L416-F418 PolarHBondContact O-N 3.28Å
417S21.5Very low24.3Very low102 Ų102141.6 Ų141.671%0.71377%0.768SS**  trans-60.2120169.850.10000110.8
418F22.9Very low24.2Very low192 Ų192140.2 Ų140.284%0.84277%0.769SS**  trans-123.994.2155.2-90.3-82.3000109L416L416-F418 PolarHBondContact O-N 3.28Å
419H20.8Very low24.1Very low185 Ų185140.5 Ų140.586%0.85678%0.78SS**  trans-61.6125.2157.8-91.7-76.1000108.8
420R23.9Very low24.1Very low243 Ų243139 Ų13992%0.91778%0.78SS**  trans-145.1113.8140.7-148.1172.3-162.4-172.93.8111.6
421S23.6Very low24.1Very low92 Ų92138 Ų13864%0.64379%0.786SS**  trans-56.4132.4174.438.60000115
422S21.9Very low24.3Very low113 Ų113140.9 Ų140.979%0.7979%0.789SS**  28.9121.212631.30000121
423S27.2Very low24.5Very low109 Ų109135 Ų13576%0.76278%0.784SS**  trans-165.9110.6144.153.20000106.5
424S23.1Very low25.3Very low113 Ų113134.3 Ų134.379%0.7979%0.788SS**  cis62.191.647.678.80000115.9
425S28Very low25.6Very low109 Ų109134.6 Ų134.676%0.76279%0.79SS**  trans176.5105.8145.851.20000108.4
426S22.6Very low25.7Very low108 Ų108130.3 Ų130.376%0.75579%0.786SS**  67.5131.867.772.30000116.1
427S26Very low25.8Very low113 Ų113129.1 Ų129.179%0.7979%0.785SS**  trans82.7143.4160.574.70000117.3
428S25Very low26.1Very low99 Ų99129.7 Ų129.769%0.69279%0.786SS**  cis-178.9144.3-7.6430000109.7
429S24.1Very low26Very low108 Ų108126.6 Ų126.676%0.75578%0.783SS**  trans50.6126.7140.463.50000123.5
430S28.1Very low26.3Very low104 Ų104124.4 Ų124.473%0.72778%0.776SS**  163.2102.9117.259.50000111
431T25Very low26.1Very low127 Ų127118.9 Ų118.978%0.77977%0.77SS**  5410610654.90000117.5
432H31.1Very low26.1Very low200 Ų200119.9 Ų119.993%0.92677%0.772SS**  trans-147.2142139.5-91.5-63.2000110.5
433S28.2Very low26.1Very low110 Ų110124.1 Ų124.177%0.76978%0.779SS**  trans-91.1171.8-154.245.50000115.1
434P41.3Very low25.8Very low128 Ų128123.3 Ų123.383%0.83177%0.774SS**  trans-102156.5-149.938.6-33000115.3
435S27.1Very low25.7Very low111 Ų111124.2 Ų124.278%0.77677%0.774SS**  trans-110108.5173.358.10000112.1
436S26Very low25.4Very low113 Ų113128.1 Ų128.179%0.7978%0.778SS**  trans30104.1146.758.30000119.5
437T25.5Very low25.4Very low132 Ų132130.2 Ų130.281%0.8178%0.779SS**  trans-67.8133.5163.140.90000112.9
438P25.8Very low25.2Very low114 Ų114131.5 Ų131.574%0.7478%0.777SS**  trans-84.4124.8170.332-28.4000110.7I440P438-I440 PolarHBondContact O-N 3.46Å
439T21.9Very low25.2Very low128 Ų128130.7 Ų130.779%0.78578%0.776SS**  trans-75.5106.4173.8-35.40000109T441T439-T441 HydrophobicContact CG2-CG2 4.5Å
440I26Very low25.3Very low138 Ų138130.7 Ų130.771%0.70877%0.768SS**  trans-116.399.5165.9-61.5176.7000107.1P438 T442P438-I440 PolarHBondContact O-N 3.46Å; I440-T442 HydrophobicContact CG2-CG2 4.42Å; I440-T442 PolarHBondContact O-N 3.32Å
441T21.3Very low25.4Very low128 Ų128134.1 Ų134.179%0.78577%0.77SS**  trans-80.898.616942.50000108.9T439T439-T441 HydrophobicContact CG2-CG2 4.5Å
442T23.2Very low25.5Very low112 Ų112131.7 Ų131.769%0.68775%0.752SS**  trans-124.2109.6158.542.10000107.7I440 S444I440-T442 HydrophobicContact CG2-CG2 4.42Å; I440-T442 PolarHBondContact O-N 3.32Å; T442-S444 VanDerWaalsContact C-N 3.28Å; T442-S444 PolarHBondContact O-N 3.09Å
443Q20.6Very low25.3Very low202 Ų202125.4 Ų125.494%0.94473%0.73SS**  trans-64.387.5172.9-75.5174.6-30.100108.8
444S21.6Very low25.3Very low93 Ų93125.6 Ų125.665%0.6572%0.723SS**  trans-82.7116.117156.50000109.5T442 F446T442-S444 VanDerWaalsContact C-N 3.28Å; T442-S444 PolarHBondContact O-N 3.09Å; S444-F446 PolarHBondContact O-N 3.28Å
445V22Very low24.6Very low132 Ų132123.2 Ų123.280%0.871%0.706SS**  trans-55116.3172.3174.80000109.4I447V445-I447 PolarHBondContact O-N 3.27Å
446F21.8Very low24.8Very low190 Ų190119.8 Ų119.883%0.83368%0.68SS**  trans-62.998.8176.5-75-95.7000110.3S444S444-F446 PolarHBondContact O-N 3.28Å
447I21.1Very low24.9Very low152 Ų152117.8 Ų117.878%0.77966%0.66SS**  trans-9198.6154.2-60.1178.5000105.6V445 A449V445-I447 PolarHBondContact O-N 3.27Å; I447-A449 PolarHBondContact O-N 3.01Å
448D23.4Very low25.2Very low141 Ų141119 Ų11975%0.75465%0.65SS**  trans-70.365.6-177.4-140.8-0000110.3N450D448-N450 VanDerWaalsContact C-N 3.3Å; D448-N450 PolarHBondContact O-N 3.14Å
449A24Very low25.4Very low81 Ų81118.7 Ų118.767%0.66964%0.635SS**  trans-79.283174.300000110I447I447-A449 PolarHBondContact O-N 3.01Å
450N27.1Very low25.8Very low108 Ų108114.7 Ų114.758%0.57861%0.608SS**  trans52.8115.8154.2-77.716.3000119.7D448 D452D448-N450 VanDerWaalsContact C-N 3.3Å; D448-N450 PolarHBondContact O-N 3.14Å; N450-D452 HydrophobicContact CB-CB 4.48Å; N450-D452 WeakPolarHBondContact CB-OD2 3.38Å; N450-D452 PolarHBondContact ND2-OD2 3.04Å; N450-D452 PolarHBondContact O-N 3.22Å
451K28.7Very low26Very low176 Ų176110.9 Ų110.977%0.76559%0.593SS**THydrogen-bonded Turntrans-52.7-7.4164.8-75175.1174.4173.20115.3
452D27.2Very low26.4Very low76 Ų76109 Ų10941%0.40658%0.575SS.*Hα-helixtrans-75.7-26.8-171.7-51.5-33.2000113.5N450 T456N450-D452 HydrophobicContact CB-CB 4.48Å; N450-D452 WeakPolarHBondContact CB-OD2 3.38Å; N450-D452 PolarHBondContact ND2-OD2 3.04Å; N450-D452 PolarHBondContact O-N 3.22Å; D452-T456 PolarHBondContact O-N 2.89Å; D452-T456 PolarHBondContact O-OG1 3.11Å
453S28.2Very low26.7Very low68 Ų68103.9 Ų103.948%0.47654%0.544SS..Hα-helixtrans-69.3-40.8179.857.70000113.1V455 T456 I457S453-V455 VanDerWaalsContact C-N 3.32Å; S453-V455 PolarHBondContact O-N 2.74Å; S453-T456 PolarHBondContact O-N 3.29Å; S453-I457 VanDerWaalsContact O-CG1 3.28Å; S453-I457 WeakPolarHBondContact O-CG1 3.16Å; S453-I457 PolarHBondContact O-N 2.94Å; S453-I457 VanDerWaalsContact O-N 3.08Å
454N26.7Very low27.3Very low114 Ų11494.5 Ų94.561%0.6150%0.5SS*.Hα-helixtrans-69.2-28.8-178.9-78.6-27.2000113.4W458N454-W458 PolarHBondContact O-N 2.8Å; N454-W458 VanDerWaalsContact O-N 3.15Å
455V28.4Very low27.6Very low78 Ų7894.8 Ų94.847%0.47349%0.494SS..Hα-helixtrans-69.5-44.7175.4177.80000109.7S453 I457 W458 Y459S453-V455 VanDerWaalsContact C-N 3.32Å; S453-V455 PolarHBondContact O-N 2.74Å; V455-I457 VanDerWaalsContact C-N 3.32Å; V455-I457 PolarHBondContact O-N 3.39Å; V455-W458 PolarHBondContact O-N 3.19Å; V455-Y459 HydrophobicContact CG1-CD2 3.57Å; V455-Y459 HydrophobicContact CG1-CE2 3.39Å; V455-Y459 WeakPolarHBondContact O-CD2 3.38Å; V455-Y459 PolarHBondContact O-N 3.44Å
456T30.3Very low27.9Very low40 Ų4093.8 Ų93.825%0.24548%0.479CS..Hα-helixtrans-61.2-38.8175.8-450000112N388 D452 S453 Y459 M460N388-T456 PolarHBondContact ND2-OG1 2.74Å; D452-T456 PolarHBondContact O-N 2.89Å; D452-T456 PolarHBondContact O-OG1 3.11Å; S453-T456 PolarHBondContact O-N 3.29Å; T456-Y459 PolarHBondContact O-N 2.61Å; T456-M460 HydrophobicContact CG2-CG 4.35Å; T456-M460 WeakPolarHBondContact O-CB 3.22Å; T456-M460 WeakPolarHBondContact O-CG 3.37Å; T456-M460 PolarHBondContact O-N 2.99Å
457I28.3Very low28.3Very low71 Ų7185.4 Ų85.436%0.36444%0.443SS..Hα-helixtrans-64-44.9176.8-68.6165.4000111.8S453 V455 S461 W542S453-I457 VanDerWaalsContact O-CG1 3.28Å; S453-I457 WeakPolarHBondContact O-CG1 3.16Å; S453-I457 PolarHBondContact O-N 2.94Å; S453-I457 VanDerWaalsContact O-N 3.08Å; V455-I457 VanDerWaalsContact C-N 3.32Å; V455-I457 PolarHBondContact O-N 3.39Å; I457-S461 WeakPolarHBondContact O-CB 3.39Å; I457-S461 PolarHBondContact O-N 3.25Å; I457-S461 VanDerWaalsContact O-N 3.13Å; I457-W542 HydrophobicContact CG1-CZ2 4.19Å
458W31.2Very low28.8Very low156 Ų15679.4 Ų79.459%0.59141%0.411SS*.Hα-helixtrans-66.4-41177.7-171.880.6000111.3N454 V455 H462N454-W458 PolarHBondContact O-N 2.8Å; N454-W458 VanDerWaalsContact O-N 3.15Å; V455-W458 PolarHBondContact O-N 3.19Å; W458-H462 WeakPolarHBondContact O-CB 3.31Å; W458-H462 PolarHBondContact O-N 3.08Å; W458-H462 VanDerWaalsContact O-N 3.07Å
459Y30.3Very low29Very low108 Ų10876.7 Ų76.742%0.42440%0.4SS..Hα-helixtrans-67.9-47.1178.8-81.3-65.7000112.9I392 V455 T456 S461 H462 L463I392-Y459 HydrophobicContact CD1-CD1 4.13Å; I392-Y459 HydrophobicContact CD1-CD2 4.49Å; I392-Y459 HydrophobicContact CD1-CG 3.96Å; V455-Y459 HydrophobicContact CG1-CD2 3.57Å; V455-Y459 HydrophobicContact CG1-CE2 3.39Å; V455-Y459 WeakPolarHBondContact O-CD2 3.38Å; V455-Y459 PolarHBondContact O-N 3.44Å; T456-Y459 PolarHBondContact O-N 2.61Å; Y459-S461 VanDerWaalsContact C-N 3.34Å; Y459-S461 PolarHBondContact O-N 2.98Å; Y459-H462 PolarHBondContact O-N 3.11Å; Y459-L463 WeakPolarHBondContact O-CB 3.38Å; Y459-L463 PolarHBondContact O-N 3.13Å
460M30.1Very low29Very low45 Ų4577.2 Ų77.222%0.22239%0.388CS..Hα-helixtrans-64.2-38.1179-72.8-68.1-175.600112.1I391 T456 L463 V464I391-M460 HydrophobicContact CG2-CE 3.92Å; T456-M460 HydrophobicContact CG2-CG 4.35Å; T456-M460 WeakPolarHBondContact O-CB 3.22Å; T456-M460 WeakPolarHBondContact O-CG 3.37Å; T456-M460 PolarHBondContact O-N 2.99Å; M460-L463 WeakPolarHBondContact O-CB 3.38Å; M460-L463 HydrophobicContact SD-CD1 3.86Å; M460-V464 WeakPolarHBondContact O-CB 3.25Å; M460-V464 WeakPolarHBondContact O-CG2 2.89Å; M460-V464 PolarHBondContact O-N 2.83Å
461S30Very low29Very low57 Ų5774.7 Ų74.740%0.39937%0.372SS..Hα-helixtrans-70-32.9176.5-173.70000113.4I457 Y459 D465I457-S461 WeakPolarHBondContact O-CB 3.39Å; I457-S461 PolarHBondContact O-N 3.25Å; I457-S461 VanDerWaalsContact O-N 3.13Å; Y459-S461 VanDerWaalsContact C-N 3.34Å; Y459-S461 PolarHBondContact O-N 2.98Å; S461-D465 PolarHBondContact O-N 3.42Å
462H30.4Very low28.8Very low89 Ų8974.2 Ų74.241%0.41237%0.366SS..Hα-helixtrans-80.9-32.2177.5-149.851000112.2W458 Y459 K466W458-H462 WeakPolarHBondContact O-CB 3.31Å; W458-H462 PolarHBondContact O-N 3.08Å; W458-H462 VanDerWaalsContact O-N 3.07Å; Y459-H462 PolarHBondContact O-N 3.11Å; H462-K466 PolarHBondContact O-N 3.44Å
463L30.3Very low28.8Very low5 Ų572.8 Ų72.83%0.02636%0.361CS..Hα-helixtrans-54.6-58167.6-105.8159.7000110I392 L395 F399 Y459 M460 D465 K466 I467I392-L463 HydrophobicContact CB-CD1 4.13Å; I392-L463 HydrophobicContact CG1-CD1 3.52Å; I392-L463 HydrophobicContact CG1-CG 4.44Å; I392-L463 HydrophobicContact CG2-CD1 4.32Å; I392-L463 HydrophobicContact CG2-CG 4.41Å; L395-L463 HydrophobicContact CB-CD2 3.29Å; L395-L463 HydrophobicContact CD1-CD1 4.12Å; L395-L463 HydrophobicContact CD1-CD2 3.96Å; L395-L463 HydrophobicContact CG-CD2 4.28Å; F399-L463 HydrophobicContact CE2-CD2 3.83Å; Y459-L463 WeakPolarHBondContact O-CB 3.38Å; Y459-L463 PolarHBondContact O-N 3.13Å; M460-L463 WeakPolarHBondContact O-CB 3.38Å; M460-L463 HydrophobicContact SD-CD1 3.86Å; L463-D465 VanDerWaalsContact C-N 3.34Å; L463-D465 PolarHBondContact O-N 3.11Å; L463-K466 PolarHBondContact O-N 3.38Å; L463-I467 WeakPolarHBondContact O-CG1 3.45Å; L463-I467 PolarHBondContact O-N 3.03Å
464V31.3Very low28.7Very low4 Ų475.2 Ų75.22%0.02437%0.365CS..Hα-helixtrans-50.2-47.3179155.70000112.9M460 K466 I467 I614 F617 T618M460-V464 WeakPolarHBondContact O-CB 3.25Å; M460-V464 WeakPolarHBondContact O-CG2 2.89Å; M460-V464 PolarHBondContact O-N 2.83Å; V464-K466 VanDerWaalsContact C-N 3.25Å; V464-K466 PolarHBondContact O-N 3.49Å; V464-I467 VanDerWaalsContact CA-CG1 3.44Å; V464-I467 HydrophobicContact CG2-CD1 4.18Å; V464-I467 WeakPolarHBondContact O-CB 3.27Å; V464-I467 WeakPolarHBondContact O-CG1 3.26Å; V464-I467 PolarHBondContact O-N 3.15Å; V464-I614 HydrophobicContact CG1-CB 3.49Å; V464-I614 VanDerWaalsContact CG1-CB 3.49Å; V464-I614 HydrophobicContact CG1-CD1 4.28Å; V464-I614 HydrophobicContact CG1-CG1 3.67Å; V464-I614 HydrophobicContact CG1-CG2 3.23Å; V464-I614 VanDerWaalsContact CG1-O 3.27Å; V464-I614 WeakPolarHBondContact CG1-O 3.36Å; V464-I614 WeakPolarHBondContact O-CD1 3.28Å; V464-I614 WeakPolarHBondContact O-CG1 3.37Å; V464-F617 HydrophobicContact CG2-CB 3.63Å; V464-F617 HydrophobicContact CG2-CD2 4.33Å; V464-F617 HydrophobicContact CG2-CG 4.38Å; V464-T618 HydrophobicContact CB-CG2 3.9Å; V464-T618 HydrophobicContact CG1-CG2 3.5Å; V464-T618 HydrophobicContact CG2-CG2 4.14Å
465D29.3Very low28.8Very low99 Ų9977.3 Ų77.353%0.52937%0.371SS..Hα-helixtrans-65.2-30-178.7-12711.6000112.4S461 L463 T469S461-D465 PolarHBondContact O-N 3.42Å; L463-D465 VanDerWaalsContact C-N 3.34Å; L463-D465 PolarHBondContact O-N 3.11Å; D465-T469 WeakPolarHBondContact O-CG2 3.45Å; D465-T469 PolarHBondContact O-OG1 3.44Å
466K28Very low28.6Very low112 Ų11281.8 Ų81.849%0.48738%0.381SS..Hα-helixtrans-84.5-25.1176.6-76.5-176.2177.7178.50113.5H462 L463 V464 F468 T469H462-K466 PolarHBondContact O-N 3.44Å; L463-K466 PolarHBondContact O-N 3.38Å; V464-K466 VanDerWaalsContact C-N 3.25Å; V464-K466 PolarHBondContact O-N 3.49Å; K466-F468 PolarHBondContact O-N 3.36Å; K466-F468 VanDerWaalsContact O-N 3.15Å; K466-T469 PolarHBondContact O-OG1 3.17Å
467I29.4Very low28.4Very low14 Ų1487.2 Ų87.27%0.07240%0.403CS..Hα-helixtrans-50.6-44.4-174.2-55.5-159.2000112.7F399 L463 V464F399-I467 HydrophobicContact CD1-CB 3.79Å; F399-I467 HydrophobicContact CD1-CG1 4.17Å; F399-I467 HydrophobicContact CD1-CG2 3.7Å; F399-I467 VanDerWaalsContact CD1-O 3.26Å; F399-I467 WeakPolarHBondContact CD1-O 3.49Å; F399-I467 HydrophobicContact CD2-CB 4.29Å; F399-I467 HydrophobicContact CD2-CG1 3.95Å; F399-I467 HydrophobicContact CE1-CB 3.48Å; F399-I467 VanDerWaalsContact CE1-CB 3.48Å; F399-I467 HydrophobicContact CE1-CD1 3.96Å; F399-I467 HydrophobicContact CE1-CG1 3.56Å; F399-I467 HydrophobicContact CE1-CG2 3.13Å; F399-I467 HydrophobicContact CE2-CB 3.95Å; F399-I467 HydrophobicContact CE2-CD1 3.75Å; F399-I467 HydrophobicContact CE2-CG1 3.24Å; F399-I467 HydrophobicContact CE2-CG2 4.44Å; F399-I467 VanDerWaalsContact CG-CA 3.44Å; F399-I467 HydrophobicContact CG-CB 4.28Å; F399-I467 HydrophobicContact CG-CG1 4.42Å; F399-I467 HydrophobicContact CZ-CB 3.56Å; F399-I467 HydrophobicContact CZ-CD1 3.23Å; F399-I467 HydrophobicContact CZ-CG1 3.04Å; F399-I467 HydrophobicContact CZ-CG2 3.57Å; L463-I467 WeakPolarHBondContact O-CG1 3.45Å; L463-I467 PolarHBondContact O-N 3.03Å; V464-I467 VanDerWaalsContact CA-CG1 3.44Å; V464-I467 HydrophobicContact CG2-CD1 4.18Å; V464-I467 WeakPolarHBondContact O-CB 3.27Å; V464-I467 WeakPolarHBondContact O-CG1 3.26Å; V464-I467 PolarHBondContact O-N 3.15Å
468F31.7Very low28.3Very low25 Ų2591 Ų9111%0.1142%0.423CS..Hα-helixtrans-120.7-7.2-163.9-67.8-76000114.4K466 H470 F471 H610 L613 I614K466-F468 PolarHBondContact O-N 3.36Å; K466-F468 VanDerWaalsContact O-N 3.15Å; F468-H470 PolarHBondContact O-N 3.15Å; F468-F471 HydrophobicContact CD1-CD2 4.05Å; F468-H610 HydrophobicContact CB-CB 3.64Å; F468-H610 WeakPolarHBondContact CB-CD2 3.31Å; F468-H610 WeakPolarHBondContact CB-ND1 3.3Å; F468-H610 VanDerWaalsContact CB-NE2 3.33Å; F468-H610 WeakPolarHBondContact CB-NE2 3.41Å; F468-H610 HydrophobicContact CD1-CB 4.31Å; F468-H610 HydrophobicContact CG-CB 4Å; F468-H610 AromaticContact CG-CG 3.94Å; F468-H610 PolarHBondContact O-CD2 2.68Å; F468-H610 PolarHBondContact O-NE2 3.42Å; F468-L613 HydrophobicContact CE1-CD1 4.38Å; F468-L613 HydrophobicContact CE2-CB 3.34Å; F468-L613 HydrophobicContact CE2-CD1 4.45Å; F468-L613 HydrophobicContact CZ-CB 3.4Å; F468-L613 VanDerWaalsContact CZ-CB 3.4Å; F468-L613 HydrophobicContact CZ-CD1 3.62Å; F468-L613 HydrophobicContact CZ-CG 4.14Å; F468-I614 HydrophobicContact CB-CD1 4.46Å; F468-I614 HydrophobicContact CD2-CD1 4.26Å; F468-I614 HydrophobicContact CD2-CG1 3.57Å; F468-I614 HydrophobicContact CE2-CG1 4.24Å
469T27.3Very low28Very low84 Ų8489.8 Ų89.852%0.51543%0.428SS..THydrogen-bonded Turntrans-60.6-10.4174.937.50000113.7D465 K466 H610D465-T469 WeakPolarHBondContact O-CG2 3.45Å; D465-T469 PolarHBondContact O-OG1 3.44Å; K466-T469 PolarHBondContact O-OG1 3.17Å; T469-H610 PolarHBondContact N-NE2 3.05Å
470H25.7Very low27.7Very low93 Ų9391.9 Ų91.943%0.43144%0.435SS..THydrogen-bonded Turntrans-126.210.2-174.6-68.977.2000116.2N402 N403 F468 R472N402-H470 WeakPolarHBondContact CB-O 3.44Å; N403-H470 PolarHBondContact OD1-CD2 2.78Å; F468-H470 PolarHBondContact O-N 3.15Å; H470-R472 PolarHBondContact O-N 2.72Å
471F25.6Very low27.6Very low55 Ų5596.9 Ų96.924%0.24146%0.463CS..  trans-80.4110.3171.9-95.7-88.1000109.6N402 F468 I606N402-F471 WeakPolarHBondContact ND2-CD1 3.47Å; N402-F471 WeakPolarHBondContact ND2-CD2 3.32Å; N402-F471 VanDerWaalsContact ND2-CE1 3.27Å; N402-F471 WeakPolarHBondContact ND2-CE1 3.48Å; N402-F471 WeakPolarHBondContact ND2-CE2 3.29Å; N402-F471 WeakPolarHBondContact ND2-CG 3.38Å; N402-F471 WeakPolarHBondContact ND2-CZ 3.36Å; F468-F471 HydrophobicContact CD1-CD2 4.05Å; F471-I606 HydrophobicContact CB-CG2 3.68Å; F471-I606 WeakPolarHBondContact O-CD1 3.44Å; F471-I606 WeakPolarHBondContact O-CG2 3.27Å
472R25Very low27.2Very low165 Ų16599.2 Ų99.262%0.62347%0.47SS*.  trans-129.6100.9169.5-84.3-179.3171.5173.2-3.1107.9E406 H470E406-R472 WeakPolarHBondContact OE1-CD 3.15Å; E406-R472 IonicContact OE1-NH1 3.66Å; E406-R472 PolarHBondContact OE1-NH1 3.3Å; H470-R472 PolarHBondContact O-N 2.72Å
473C27.7Very low27Very low47 Ų4799.5 Ų99.532%0.31848%0.482SS..  trans-141.3133-178.6-94.10000110.4Q358 L602Q358-C473 VanDerWaalsContact OE1-C 3.24Å; C473-L602 WeakPolarHBondContact O-CD1 3.49Å
474H26.8Very low26.9Very low118 Ų118105.1 Ų105.155%0.54652%0.518SS..  trans-89.1148.3-158.7-89.9-84.7000114.8Q358Q358-H474 PolarHBondContact NE2-O 3.18Å; Q358-H474 PolarHBondContact OE1-O 2.9Å
475E27Very low26.6Very low159 Ų159110.7 Ų110.774%0.74355%0.547SS*.  trans69.9100.8160-67.3179.1-177.100117.5
476Y26Very low26.2Very low171 Ų171110.4 Ų110.467%0.67155%0.553SS**  trans-168.6123.1136.4-95.7-71.1000110.1D357 L478D357-Y476 VanDerWaalsContact OD1-CE2 3.28Å; D357-Y476 WeakPolarHBondContact OD1-CE2 3.46Å; D357-Y476 WeakPolarHBondContact OD2-CE2 3.24Å; Y476-L478 VanDerWaalsContact C-N 3.35Å; Y476-L478 PolarHBondContact O-N 3.44Å
477Q25Very low26Very low154 Ų154110.1 Ų110.172%0.7256%0.563SS**G310 helixtrans-81.61.8-176.2-82.7179.4-10.500115.2L479Q477-L479 VanDerWaalsContact C-N 3.3Å; Q477-L479 PolarHBondContact O-N 3.24Å
478L26.2Very low25.8Very low150 Ų150115.2 Ų115.279%0.78559%0.589SS**G310 helixtrans-75.3-10.9-168.4-125.8126.3000115.2Y476Y476-L478 VanDerWaalsContact C-N 3.35Å; Y476-L478 PolarHBondContact O-N 3.44Å
479L25.3Very low25.4Very low132 Ų132120.6 Ų120.669%0.69162%0.619SS**G310 helixtrans-97.1-5.8-175.2-80.2159.8000115.5Q477 N481Q477-L479 VanDerWaalsContact C-N 3.3Å; Q477-L479 PolarHBondContact O-N 3.24Å; L479-N481 PolarHBondContact O-N 3.45Å
480R23.6Very low25.2Very low152 Ų152123.2 Ų123.257%0.57463%0.63SS**THydrogen-bonded Turntrans-77-15.6-177.2-136.5-155.7-160.1155.24.7114.9I482R480-I482 PolarHBondContact O-N 3.05Å
481N27.2Very low25.2Very low149 Ų149124.5 Ų124.580%0.79764%0.644SS**THydrogen-bonded Turntrans-82.94.6-179.6-77.3-11.2000114.2L479L479-N481 PolarHBondContact O-N 3.45Å
482I23.4Very low25Very low107 Ų107124.8 Ų124.855%0.54965%0.65SS.*  trans-120.755178.5-42.2179.5000109.7R480 L485R480-I482 PolarHBondContact O-N 3.05Å; I482-L485 HydrophobicContact CG2-CD1 3.58Å
483S25Very low24.9Very low95 Ų95121.2 Ų121.266%0.66465%0.65SS**  trans-68.7152.3158.260.40000109.9L485S483-L485 PolarHBondContact O-N 3.43Å
484P28.8Very low24.8Very low123 Ų123124.4 Ų124.480%0.79967%0.673SS**  trans-64116.6-133.930.8-33.4000111.2S486P484-S486 VanDerWaalsContact C-N 3.3Å; P484-S486 PolarHBondContact O-N 2.96Å
485L23.6Very low24.8Very low120 Ų120125 Ų12563%0.62869%0.685SS**  trans-58.8104.1158.2-82.697.6000106.4I482 S483 I488I482-L485 HydrophobicContact CG2-CD1 3.58Å; S483-L485 PolarHBondContact O-N 3.43Å; L485-I488 HydrophobicContact CD2-CD1 4.27Å; L485-I488 HydrophobicContact CD2-CG1 4.41Å
486S21.9Very low24.8Very low94 Ų94122.9 Ų122.966%0.65768%0.675SS**  trans-43.5137.416149.40000108.3P484 I488P484-S486 VanDerWaalsContact C-N 3.3Å; P484-S486 PolarHBondContact O-N 2.96Å; S486-I488 PolarHBondContact O-N 3.47Å; S486-I488 VanDerWaalsContact O-N 3.17Å
487P24.3Very low24.9Very low106 Ų106122.8 Ų122.869%0.68869%0.686SS**  trans-48.1127.5-171.719.3-31.8000109.3N489P487-N489 PolarHBondContact O-N 2.97Å
488I24.4Very low24.9Very low120 Ų120119.7 Ų119.762%0.61568%0.682SS**SBendtrans-67.361.3-175.9-58.6164.5000109L485 S486 V491L485-I488 HydrophobicContact CD2-CD1 4.27Å; L485-I488 HydrophobicContact CD2-CG1 4.41Å; S486-I488 PolarHBondContact O-N 3.47Å; S486-I488 VanDerWaalsContact O-N 3.17Å; I488-V491 HydrophobicContact CG2-CG2 3.87Å
489N24.3Very low25.2Very low139 Ų139117 Ų11774%0.74368%0.676SS**SBendtrans-105.9-5.2172.5-87.31.5000112P487P487-N489 PolarHBondContact O-N 2.97Å
490N23.2Very low25.4Very low138 Ų138116.2 Ų116.274%0.73867%0.671SS**  trans-14047.7178.5-78.8-26.3000112.6T492N490-T492 PolarHBondContact O-N 3.36Å
491V23.9Very low25.5Very low121 Ų121116 Ų11673%0.73368%0.68SS**  trans-80.467.9157.4-176.40000107.5I488I488-V491 HydrophobicContact CG2-CG2 3.87Å
492T22.9Very low25.5Very low61 Ų61116.1 Ų116.137%0.37468%0.675SS.*SBendtrans-136.3120.4162.550.60000105.6N490 T883N490-T492 PolarHBondContact O-N 3.36Å; T492-T883 VanDerWaalsContact CB-O 3.23Å; T492-T883 WeakPolarHBondContact CB-O 3.38Å; T492-T883 WeakPolarHBondContact CG2-O 3.32Å
493S23.4Very low25.9Very low89 Ų89118.6 Ų118.662%0.62268%0.682SS**SBendtrans68.4115.2172.869.30000119.4
494S25Very low26Very low114 Ų114120 Ų12080%0.79768%0.682SS**  trans139.650.9144.864.10000114E496S494-E496 VanDerWaalsContact C-N 3.28Å; S494-E496 PolarHBondContact O-N 3.25Å
495T25.8Very low25.9Very low131 Ų131117.9 Ų117.980%0.80467%0.669SS**  trans-84.769.8158.648.80000110
496E26.8Very low26.2Very low114 Ų114116.2 Ų116.253%0.53367%0.668SS.*SBendtrans-138.4109.2157.2-72.9-165.9163.600108S494 H878S494-E496 VanDerWaalsContact C-N 3.28Å; S494-E496 PolarHBondContact O-N 3.25Å; E496-H878 IonicContact OE1-CE1 3.73Å; E496-H878 IonicContact OE1-CG 3.47Å; E496-H878 IonicContact OE1-ND1 3.56Å; E496-H878 PolarHBondContact OE1-ND1 3.07Å; E496-H878 IonicContact OE2-ND1 2.75Å
497N28.3Very low26.3Very low169 Ų169116 Ų11690%0.90466%0.658SS**SBendtrans62.776.9169.3-61.5-20000118.4
498S25.2Very low26.3Very low89 Ų89120.5 Ų120.562%0.62267%0.667SS**  trans-149.490.8147.455.30000112.2I500S498-I500 VanDerWaalsContact C-N 3.26Å; S498-I500 PolarHBondContact O-N 3.44Å
499S33.8Very low26.4Very low95 Ų95119.4 Ų119.466%0.66466%0.662SS**SBendtrans44.9-1.8146.755.70000123.5K503S499-K503 PolarHBondContact O-N 3.44Å
500I29.3Very low26.5Very low114 Ų114119.2 Ų119.259%0.58566%0.661SS**Hα-helixtrans-87.8-38.9-173.5-63.5173.2000111.4S498 H502 K503 L504S498-I500 VanDerWaalsContact C-N 3.26Å; S498-I500 PolarHBondContact O-N 3.44Å; I500-H502 VanDerWaalsContact C-N 3.33Å; I500-H502 PolarHBondContact O-N 2.81Å; I500-K503 PolarHBondContact O-N 3.39Å; I500-L504 HydrophobicContact CG2-CD1 4.31Å; I500-L504 PolarHBondContact O-N 2.97Å
501I25.6Very low26.8Very low149 Ų149121 Ų12176%0.76467%0.665SS**Hα-helixtrans-68.6-34.4177.9-61.4178.2000111.2K503 L504 S505I501-K503 VanDerWaalsContact C-N 3.33Å; I501-K503 PolarHBondContact O-N 3.28Å; I501-L504 PolarHBondContact O-N 3.3Å; I501-S505 PolarHBondContact O-N 3.47Å; I501-S505 PolarHBondContact O-OG 3.24Å
502H27.3Very low27Very low150 Ų150122.5 Ų122.569%0.69467%0.668SS**Hα-helixtrans-74.2-22.5176.7-129.1-60.2000113.6I500 S505 S506I500-H502 VanDerWaalsContact C-N 3.33Å; I500-H502 PolarHBondContact O-N 2.81Å; H502-S505 PolarHBondContact O-OG 3.31Å; H502-S506 PolarHBondContact O-N 3.38Å; H502-S506 PolarHBondContact O-OG 3.05Å
503K32.2Very low27.2Very low159 Ų159126.7 Ų126.769%0.69169%0.688SS**Hα-helixtrans-77.3-27.6172-97.4-177174.5-179.10112.9S499 I500 I501 S506 I507S499-K503 PolarHBondContact O-N 3.44Å; I500-K503 PolarHBondContact O-N 3.39Å; I501-K503 VanDerWaalsContact C-N 3.33Å; I501-K503 PolarHBondContact O-N 3.28Å; K503-S506 PolarHBondContact O-OG 3.03Å; K503-I507 WeakPolarHBondContact O-CG1 3.08Å
504L26.4Very low27.5Very low126 Ų126125.8 Ų125.866%0.6668%0.68SS**Hα-helixtrans-82.5-32.7174.4-92.5137.3000112.9I500 I501 S506 I507I500-L504 HydrophobicContact CG2-CD1 4.31Å; I500-L504 PolarHBondContact O-N 2.97Å; I501-L504 PolarHBondContact O-N 3.3Å; L504-S506 VanDerWaalsContact C-N 3.34Å; L504-S506 PolarHBondContact O-N 2.98Å; L504-I507 PolarHBondContact O-N 3.09Å
505S26.4Very low27.5Very low77 Ų77127.6 Ų127.654%0.53867%0.673SS.*Hα-helixtrans-73.7-21.2176.265.80000114.2I501 H502 I507I501-S505 PolarHBondContact O-N 3.47Å; I501-S505 PolarHBondContact O-OG 3.24Å; H502-S505 PolarHBondContact O-OG 3.31Å; S505-I507 VanDerWaalsContact C-N 3.3Å; S505-I507 PolarHBondContact O-N 2.91Å
506S28.8Very low27.5Very low86 Ų86126.3 Ų126.360%0.60167%0.669SS**THydrogen-bonded Turntrans-79.3-9.2176.1520000114.3H502 K503 L504 K508H502-S506 PolarHBondContact O-N 3.38Å; H502-S506 PolarHBondContact O-OG 3.05Å; K503-S506 PolarHBondContact O-OG 3.03Å; L504-S506 VanDerWaalsContact C-N 3.34Å; L504-S506 PolarHBondContact O-N 2.98Å; S506-K508 PolarHBondContact O-N 2.96Å; S506-K508 VanDerWaalsContact O-N 3.15Å
507I25.9Very low28Very low88 Ų88124.3 Ų124.345%0.45167%0.667SS.*  trans-88.185.1171.9-31-177.5000107.4K503 L504 S505 I509K503-I507 WeakPolarHBondContact O-CG1 3.08Å; L504-I507 PolarHBondContact O-N 3.09Å; S505-I507 VanDerWaalsContact C-N 3.3Å; S505-I507 PolarHBondContact O-N 2.91Å; I507-I509 HydrophobicContact CB-CD1 4.13Å; I507-I509 HydrophobicContact CB-CG1 3.8Å; I507-I509 HydrophobicContact CG2-CD1 3.66Å; I507-I509 HydrophobicContact CG2-CG1 3.17Å; I507-I509 PolarHBondContact O-N 2.62Å
508K22.6Very low28.6Very low201 Ų201120.5 Ų120.587%0.87464%0.644SS**  trans-62.576.7157.8-84.5-176.9173.3-1800107.7S506 N510S506-K508 PolarHBondContact O-N 2.96Å; S506-K508 VanDerWaalsContact O-N 3.15Å; K508-N510 PolarHBondContact O-N 3.05Å
509I26.8Very low29.3Very low97 Ų97121.8 Ų121.850%0.49764%0.644SS.*  trans-79.9115.1168.8-54179.1000104.7I507 E511 T514I507-I509 HydrophobicContact CB-CD1 4.13Å; I507-I509 HydrophobicContact CB-CG1 3.8Å; I507-I509 HydrophobicContact CG2-CD1 3.66Å; I507-I509 HydrophobicContact CG2-CG1 3.17Å; I507-I509 PolarHBondContact O-N 2.62Å; I509-E511 PolarHBondContact O-N 3.49Å; I509-E511 VanDerWaalsContact O-N 3.13Å; I509-T514 HydrophobicContact CG2-CG2 4.29Å
510N26.7Very low29.6Very low135 Ų135119.7 Ų119.772%0.72262%0.621SS**  trans-45.9120.9177-81.3-25.5000109.7K508 N512K508-N510 PolarHBondContact O-N 3.05Å; N510-N512 PolarHBondContact O-N 2.76Å
511E29.4Very low30.5Very low177 Ų177116.4 Ų116.483%0.82761%0.609SS**THydrogen-bonded Turntrans-58.6-6.4-169.3-72180148.800115.2I509I509-E511 PolarHBondContact O-N 3.49Å; I509-E511 VanDerWaalsContact O-N 3.13Å
512N29.1Very low31.7Very low151 Ų151109.6 Ų109.681%0.80757%0.574SS**THydrogen-bonded Turntrans-95.6-17.4-170.9-71.2-8.6000115.8N510N510-N512 PolarHBondContact O-N 2.76Å
513D27Very low32.9Very low149 Ų149105.2 Ų105.280%0.79755%0.554SS**SBendtrans-112.7-2.3-167.8-74.5-21.5000117.1
514T28.9Very low33.7Very low71 Ų7198.3 Ų98.344%0.43653%0.525SS..SBendtrans-124.4-1.6-172.950.50000117.9I509I509-T514 HydrophobicContact CG2-CG2 4.29Å
515F24.7Very low35.1Very low151 Ų15196.8 Ų96.866%0.66251%0.51SS*.G310 helixtrans-86.5-10.1-178.6-97.8-76.9000115.5S517F515-S517 VanDerWaalsContact C-N 3.34Å; F515-S517 PolarHBondContact O-N 3.01Å
516C26.6Very low36.5Very low105 Ų10594.1 Ų94.171%0.70949%0.49SS*.G310 helixtrans-79.8-7-177.6-700000115.1
517S37.6Very low37.7Very low71 Ų7191.3 Ų91.350%0.49747%0.468SS..G310 helixtrans-93.6-11.4-174.155.90000116.1F515 S521F515-S517 VanDerWaalsContact C-N 3.34Å; F515-S517 PolarHBondContact O-N 3.01Å; S517-S521 PolarHBondContact O-N 3.31Å; S517-S521 VanDerWaalsContact O-N 3.17Å; S517-S521 PolarHBondContact O-OG 3.36Å
518E40.7Very low39Very low90 Ų9088.3 Ų88.342%0.42145%0.452SS..Hα-helixtrans-63.3-51.5-172.4-68.1-171.9165.700112.4Y520 S521 V522E518-Y520 PolarHBondContact O-N 2.9Å; E518-S521 PolarHBondContact O-N 3.34Å; E518-S521 PolarHBondContact O-OG 3.4Å; E518-V522 VanDerWaalsContact O-CG2 3.25Å; E518-V522 WeakPolarHBondContact O-CG2 3.44Å; E518-V522 PolarHBondContact O-N 2.96Å
519N39.7Very low40.8Very low115 Ų11578.8 Ų78.862%0.61541%0.411SS*.Hα-helixtrans-65.9-36.9-177.9-75.7-20.5000113.1V522 E523N519-V522 PolarHBondContact O-N 3.47Å; N519-E523 WeakPolarHBondContact O-CG 3.42Å; N519-E523 PolarHBondContact O-N 2.88Å; N519-E523 VanDerWaalsContact O-N 3.09Å
520Y40.5Very low42.3Very low51 Ų5177.8 Ų77.820%0.241%0.406CS..Hα-helixtrans-61.9-49.2178.3170.2-109.8000111.1V281 Y284 E518 V522 E523 L524V281-Y520 HydrophobicContact CG1-CD2 4.35Å; V281-Y520 HydrophobicContact CG2-CD2 4.38Å; Y284-Y520 AromaticContact CD1-CE2 3.92Å; Y284-Y520 HydrophobicContact CD1-CE2 3.92Å; Y284-Y520 WeakPolarHBondContact CD1-OH 3.23Å; Y284-Y520 HydrophobicContact CD2-CD2 4.19Å; Y284-Y520 AromaticContact CD2-CE2 3.49Å; Y284-Y520 HydrophobicContact CD2-CE2 3.49Å; Y284-Y520 VanDerWaalsContact CD2-CE2 3.49Å; Y284-Y520 AromaticContact CE1-CE2 3.5Å; Y284-Y520 HydrophobicContact CE1-CE2 3.5Å; Y284-Y520 AromaticContact CE1-CZ 3.49Å; Y284-Y520 VanDerWaalsContact CE1-CZ 3.49Å; Y284-Y520 WeakPolarHBondContact CE1-OH 3.22Å; Y284-Y520 AromaticContact CE2-CD2 3.68Å; Y284-Y520 HydrophobicContact CE2-CD2 3.68Å; Y284-Y520 AromaticContact CE2-CE2 3.11Å; Y284-Y520 HydrophobicContact CE2-CE2 3.11Å; Y284-Y520 AromaticContact CE2-CZ 3.96Å; Y284-Y520 AromaticContact CG-CE2 3.89Å; Y284-Y520 HydrophobicContact CG-CE2 3.89Å; Y284-Y520 AromaticContact CZ-CD2 3.96Å; Y284-Y520 AromaticContact CZ-CE2 3.11Å; Y284-Y520 AromaticContact CZ-CZ 3.44Å; Y284-Y520 VanDerWaalsContact CZ-CZ 3.44Å; E518-Y520 PolarHBondContact O-N 2.9Å; Y520-V522 VanDerWaalsContact C-N 3.3Å; Y520-V522 PolarHBondContact O-N 3.42Å; Y520-E523 PolarHBondContact O-N 3.19Å; Y520-L524 HydrophobicContact CE2-CD1 4.13Å; Y520-L524 WeakPolarHBondContact O-CB 3.41Å; Y520-L524 PolarHBondContact O-N 3.39Å
521S48Very low43.7Very low45 Ų4572.5 Ų72.532%0.31538%0.376SS..Hα-helixtrans-59.3-42.6-18069.20000111.5S517 E518 L524 W525S517-S521 PolarHBondContact O-N 3.31Å; S517-S521 VanDerWaalsContact O-N 3.17Å; S517-S521 PolarHBondContact O-OG 3.36Å; E518-S521 PolarHBondContact O-N 3.34Å; E518-S521 PolarHBondContact O-OG 3.4Å; S521-L524 VanDerWaalsContact O-CB 3.31Å; S521-L524 WeakPolarHBondContact O-CB 3.4Å; S521-L524 PolarHBondContact O-N 2.91Å; S521-W525 PolarHBondContact O-N 3.25Å
522V50.6Low45Very low7 Ų764.6 Ų64.64%0.04234%0.34CS..Hα-helixtrans-66.7-46.5-178.2176.10000112.6E518 N519 Y520 L524 W525 L526 L638 I641E518-V522 VanDerWaalsContact O-CG2 3.25Å; E518-V522 WeakPolarHBondContact O-CG2 3.44Å; E518-V522 PolarHBondContact O-N 2.96Å; N519-V522 PolarHBondContact O-N 3.47Å; Y520-V522 VanDerWaalsContact C-N 3.3Å; Y520-V522 PolarHBondContact O-N 3.42Å; V522-L524 PolarHBondContact O-N 2.97Å; V522-W525 PolarHBondContact O-N 3.48Å; V522-L526 HydrophobicContact CG1-CD1 4.08Å; V522-L526 WeakPolarHBondContact O-CG 3.49Å; V522-L526 PolarHBondContact O-N 2.93Å; V522-L638 HydrophobicContact CG1-CD2 3.47Å; V522-L638 VanDerWaalsContact CG1-CD2 3.47Å; V522-L638 HydrophobicContact CG1-CG 4.22Å; V522-I641 HydrophobicContact CG2-CD1 3.22Å
523E52.1Low46.5Very low57 Ų5758.8 Ų58.827%0.26631%0.308SS..Hα-helixtrans-62-36.6176.5-72.6-67.1165.500111V281 N519 Y520 L526 I527 R646V281-E523 HydrophobicContact CG1-CB 3.75Å; V281-E523 HydrophobicContact CG1-CG 4.36Å; V281-E523 HydrophobicContact CG2-CB 4.49Å; V281-E523 HydrophobicContact CG2-CG 4.43Å; N519-E523 WeakPolarHBondContact O-CG 3.42Å; N519-E523 PolarHBondContact O-N 2.88Å; N519-E523 VanDerWaalsContact O-N 3.09Å; Y520-E523 PolarHBondContact O-N 3.19Å; E523-L526 WeakPolarHBondContact O-CB 3.15Å; E523-L526 PolarHBondContact O-N 2.85Å; E523-I527 WeakPolarHBondContact O-CD1 3.49Å; E523-I527 VanDerWaalsContact O-CG1 3.24Å; E523-I527 WeakPolarHBondContact O-CG1 3.39Å; E523-I527 PolarHBondContact O-N 3.21Å; E523-R646 IonicContact OE1-CZ 2.76Å; E523-R646 VanDerWaalsContact OE1-CZ 3.26Å; E523-R646 IonicContact OE1-NH1 2.78Å; E523-R646 PolarHBondContact OE1-NH1 2.9Å; E523-R646 IonicContact OE1-NH2 3.45Å; E523-R646 PolarHBondContact OE1-NH2 3.22Å
524L49.8Very low47.8Very low15 Ų1554.8 Ų54.88%0.07928%0.284CS..Hα-helixtrans-61.9-48.9173.8-155.686.5000112.6V363 Y520 S521 V522 L526 I527 I528V363-L524 HydrophobicContact CB-CD1 4.47Å; V363-L524 HydrophobicContact CB-CD2 4.33Å; V363-L524 HydrophobicContact CG1-CD1 3.21Å; V363-L524 HydrophobicContact CG1-CD2 3.78Å; V363-L524 HydrophobicContact CG1-CG 3.9Å; V363-L524 HydrophobicContact CG2-CD2 3.54Å; Y520-L524 HydrophobicContact CE2-CD1 4.13Å; Y520-L524 WeakPolarHBondContact O-CB 3.41Å; Y520-L524 PolarHBondContact O-N 3.39Å; S521-L524 VanDerWaalsContact O-CB 3.31Å; S521-L524 WeakPolarHBondContact O-CB 3.4Å; S521-L524 PolarHBondContact O-N 2.91Å; V522-L524 PolarHBondContact O-N 2.97Å; L524-L526 VanDerWaalsContact C-N 3.27Å; L524-L526 PolarHBondContact O-N 3.24Å; L524-I527 PolarHBondContact O-N 3.33Å; L524-I528 HydrophobicContact CD2-CD1 3.92Å; L524-I528 HydrophobicContact CG-CD1 4.13Å; L524-I528 WeakPolarHBondContact O-CG1 3.15Å; L524-I528 PolarHBondContact O-N 3.02Å
525W55Low48.9Very low93 Ų9352.4 Ų52.435%0.35227%0.268SS..Hα-helixtrans-62.2-35.4177.2-79.8107000112S521 V522 F529 I630 L634S521-W525 PolarHBondContact O-N 3.25Å; V522-W525 PolarHBondContact O-N 3.48Å; W525-F529 WeakPolarHBondContact O-CB 3.15Å; W525-F529 PolarHBondContact O-N 3.36Å; W525-I630 HydrophobicContact CE3-CG2 3.87Å; W525-I630 HydrophobicContact CZ3-CB 4.5Å; W525-I630 HydrophobicContact CZ3-CD1 4.47Å; W525-I630 HydrophobicContact CZ3-CG1 4.06Å; W525-I630 HydrophobicContact CZ3-CG2 3.91Å; W525-L634 HydrophobicContact CB-CD1 3.61Å
526L56.9Low50.2Low21 Ų2145.8 Ų45.811%0.1124%0.242CC..Hα-helixtrans-63.5-44.6173.2-77.8163.8000112V522 E523 L524 F529 N530 L634 L638 I650V522-L526 HydrophobicContact CG1-CD1 4.08Å; V522-L526 WeakPolarHBondContact O-CG 3.49Å; V522-L526 PolarHBondContact O-N 2.93Å; E523-L526 WeakPolarHBondContact O-CB 3.15Å; E523-L526 PolarHBondContact O-N 2.85Å; L524-L526 VanDerWaalsContact C-N 3.27Å; L524-L526 PolarHBondContact O-N 3.24Å; L526-F529 PolarHBondContact O-N 2.93Å; L526-N530 WeakPolarHBondContact O-CB 3.33Å; L526-N530 PolarHBondContact O-N 2.83Å; L526-N530 PolarHBondContact O-ND2 3.06Å; L526-L634 HydrophobicContact CD2-CD2 3.87Å; L526-L634 HydrophobicContact CG-CD1 4.43Å; L526-L634 HydrophobicContact CG-CD2 4.16Å; L526-L638 HydrophobicContact CD2-CD1 4.38Å; L526-I650 HydrophobicContact CD2-CD1 3.85Å
527I53.1Low51.4Low27 Ų2742.4 Ų42.414%0.13822%0.216CC..Hα-helixtrans-63.5-49.2177.3-70.1162.6000110.3V285 E523 L524 F529 N530 Y531V285-I527 HydrophobicContact CG2-CD1 3.81Å; E523-I527 WeakPolarHBondContact O-CD1 3.49Å; E523-I527 VanDerWaalsContact O-CG1 3.24Å; E523-I527 WeakPolarHBondContact O-CG1 3.39Å; E523-I527 PolarHBondContact O-N 3.21Å; L524-I527 PolarHBondContact O-N 3.33Å; I527-F529 VanDerWaalsContact C-N 3.35Å; I527-F529 PolarHBondContact O-N 3.44Å; I527-N530 PolarHBondContact O-N 3.25Å; I527-Y531 HydrophobicContact CG2-CD2 3.53Å; I527-Y531 HydrophobicContact CG2-CE2 3.23Å; I527-Y531 VanDerWaalsContact O-CD2 3.22Å; I527-Y531 WeakPolarHBondContact O-CD2 3.36Å; I527-Y531 PolarHBondContact O-N 3.4Å
528I53.1Low51.7Low26 Ų2641.1 Ų41.113%0.13320%0.204CC..Hα-helixtrans-60.2-45.9177.6-68.3168.7000110.2L366 L524 N530 Y531 I532L366-I528 HydrophobicContact CD2-CD1 4.28Å; L366-I528 HydrophobicContact CD2-CG1 4.25Å; L524-I528 HydrophobicContact CD2-CD1 3.92Å; L524-I528 HydrophobicContact CG-CD1 4.13Å; L524-I528 WeakPolarHBondContact O-CG1 3.15Å; L524-I528 PolarHBondContact O-N 3.02Å; I528-N530 VanDerWaalsContact C-N 3.33Å; I528-N530 PolarHBondContact O-N 2.97Å; I528-Y531 PolarHBondContact O-N 2.9Å; I528-I532 HydrophobicContact CG2-CD1 3.63Å; I528-I532 HydrophobicContact CG2-CG1 4.2Å; I528-I532 VanDerWaalsContact O-CG1 3.27Å; I528-I532 WeakPolarHBondContact O-CG1 3.5Å; I528-I532 PolarHBondContact O-N 3.23Å
529F60.5Low51.9Low1 Ų139.4 Ų39.40%0.00420%0.197CC..Hα-helixtrans-59.4-43.9177-178.4-99.3000111.6W525 L526 I527 I532 K533 F627 I630 L634 I650 D653W525-F529 WeakPolarHBondContact O-CB 3.15Å; W525-F529 PolarHBondContact O-N 3.36Å; L526-F529 PolarHBondContact O-N 2.93Å; I527-F529 VanDerWaalsContact C-N 3.35Å; I527-F529 PolarHBondContact O-N 3.44Å; F529-I532 PolarHBondContact O-N 3.31Å; F529-K533 WeakPolarHBondContact O-CB 3.35Å; F529-K533 PolarHBondContact O-N 2.85Å; F529-F627 HydrophobicContact CD2-CD2 4.36Å; F529-F627 AromaticContact CD2-CE2 3.89Å; F529-F627 HydrophobicContact CD2-CE2 3.89Å; F529-F627 HydrophobicContact CD2-CZ 4.37Å; F529-F627 HydrophobicContact CE1-CE2 4.38Å; F529-F627 HydrophobicContact CE1-CZ 4.15Å; F529-F627 AromaticContact CE2-CD2 3.98Å; F529-F627 HydrophobicContact CE2-CD2 3.98Å; F529-F627 HydrophobicContact CE2-CE1 4.06Å; F529-F627 AromaticContact CE2-CE2 3.39Å; F529-F627 HydrophobicContact CE2-CE2 3.39Å; F529-F627 AromaticContact CE2-CZ 3.45Å; F529-F627 HydrophobicContact CE2-CZ 3.45Å; F529-F627 VanDerWaalsContact CE2-CZ 3.45Å; F529-F627 HydrophobicContact CZ-CE1 4.03Å; F529-F627 AromaticContact CZ-CE2 3.68Å; F529-F627 HydrophobicContact CZ-CE2 3.68Å; F529-F627 AromaticContact CZ-CZ 3.31Å; F529-F627 HydrophobicContact CZ-CZ 3.31Å; F529-I630 HydrophobicContact CB-CG2 4.46Å; F529-I630 HydrophobicContact CD2-CG2 4.01Å; F529-L634 HydrophobicContact CB-CD2 4.03Å; F529-L634 HydrophobicContact CG-CD2 4.28Å; F529-I650 HydrophobicContact CD1-CG1 4.48Å; F529-I650 HydrophobicContact CE1-CG1 4.29Å; F529-I650 HydrophobicContact CE1-CG2 4.03Å; F529-I650 HydrophobicContact CE2-CG2 4.3Å; F529-I650 HydrophobicContact CZ-CG2 3.84Å; F529-D653 HydrophobicContact CE1-CB 4.39Å
530N59.4Low52.1Low75 Ų7535.5 Ų35.540%0.40118%0.184SC..Hα-helixtrans-64.1-40.8176.5-81.8-29.8000112.7L526 I527 I528 K533 Q534L526-N530 WeakPolarHBondContact O-CB 3.33Å; L526-N530 PolarHBondContact O-N 2.83Å; L526-N530 PolarHBondContact O-ND2 3.06Å; I527-N530 PolarHBondContact O-N 3.25Å; I528-N530 VanDerWaalsContact C-N 3.33Å; I528-N530 PolarHBondContact O-N 2.97Å; N530-K533 WeakPolarHBondContact O-CB 3.47Å; N530-K533 PolarHBondContact O-N 3.29Å; N530-Q534 WeakPolarHBondContact O-CB 3.44Å; N530-Q534 VanDerWaalsContact O-CG 3.29Å; N530-Q534 WeakPolarHBondContact O-CG 3.45Å; N530-Q534 PolarHBondContact O-N 3.24Å
531Y54.7Low52.2Low24 Ų2437.7 Ų37.79%0.09420%0.199CC..Hα-helixtrans-69-40.3175.4-75.9-56.2000112.5C286 L370 N371 I527 I528 K533 Q534 I535C286-Y531 PolarHBondContact O-OH 3.16Å; L370-Y531 HydrophobicContact CB-CD1 3.85Å; L370-Y531 HydrophobicContact CB-CD2 4.06Å; L370-Y531 HydrophobicContact CB-CE1 4.27Å; L370-Y531 HydrophobicContact CB-CE2 4.43Å; L370-Y531 HydrophobicContact CB-CG 3.77Å; L370-Y531 HydrophobicContact CD1-CD2 3.69Å; L370-Y531 HydrophobicContact CD1-CG 3.79Å; L370-Y531 HydrophobicContact CG-CD2 4.5Å; L370-Y531 HydrophobicContact CG-CG 4.29Å; N371-Y531 HydrophobicContact CB-CE1 4.27Å; I527-Y531 HydrophobicContact CG2-CD2 3.53Å; I527-Y531 HydrophobicContact CG2-CE2 3.23Å; I527-Y531 VanDerWaalsContact O-CD2 3.22Å; I527-Y531 WeakPolarHBondContact O-CD2 3.36Å; I527-Y531 PolarHBondContact O-N 3.4Å; I528-Y531 PolarHBondContact O-N 2.9Å; Y531-K533 VanDerWaalsContact C-N 3.32Å; Y531-Q534 WeakPolarHBondContact O-CB 3.48Å; Y531-Q534 PolarHBondContact O-N 2.99Å; Y531-I535 WeakPolarHBondContact O-CG1 3.25Å; Y531-I535 PolarHBondContact O-N 3.48Å
532I57.4Low51.6Low12 Ų1239.3 Ų39.36%0.06220%0.198CC..Hα-helixtrans-63.7-43174.1-64.3171.2000109.2I528 F529 Q534 I535 G536 L616 Y623 F627 I630I528-I532 HydrophobicContact CG2-CD1 3.63Å; I528-I532 HydrophobicContact CG2-CG1 4.2Å; I528-I532 VanDerWaalsContact O-CG1 3.27Å; I528-I532 WeakPolarHBondContact O-CG1 3.5Å; I528-I532 PolarHBondContact O-N 3.23Å; F529-I532 PolarHBondContact O-N 3.31Å; I532-Q534 VanDerWaalsContact C-N 3.33Å; I532-Q534 PolarHBondContact O-N 3.23Å; I532-I535 CarbonylContact O-C 3.51Å; I532-I535 WeakPolarHBondContact O-CA 3.25Å; I532-I535 WeakPolarHBondContact O-CB 3.23Å; I532-I535 PolarHBondContact O-N 3.48Å; I532-I535 VanDerWaalsContact O-N 3.09Å; I532-G536 PolarHBondContact O-N 3.29Å; I532-L616 HydrophobicContact CG2-CD2 4.19Å; I532-Y623 HydrophobicContact CG2-CE2 3.76Å; I532-Y623 PolarHBondContact O-OH 2.95Å; I532-F627 HydrophobicContact CB-CD2 4.41Å; I532-F627 HydrophobicContact CG2-CD2 3.7Å; I532-F627 HydrophobicContact CG2-CE2 4.45Å; I532-I630 HydrophobicContact CD1-CD1 3.5Å
533K60.8Low51.1Low29 Ų2941.8 Ų41.813%0.12622%0.215CC..Hα-helixtrans-56-47.1173.9-170.3-161.4179.1175.90111.1F529 N530 Y531 G536 Q537 F627 D653 W748F529-K533 WeakPolarHBondContact O-CB 3.35Å; F529-K533 PolarHBondContact O-N 2.85Å; N530-K533 WeakPolarHBondContact O-CB 3.47Å; N530-K533 PolarHBondContact O-N 3.29Å; Y531-K533 VanDerWaalsContact C-N 3.32Å; K533-G536 PolarHBondContact O-N 3.2Å; K533-Q537 WeakPolarHBondContact O-CG 3.23Å; K533-Q537 PolarHBondContact O-N 2.97Å; K533-F627 HydrophobicContact CB-CE2 3.8Å; K533-F627 HydrophobicContact CB-CZ 4.13Å; K533-F627 HydrophobicContact CG-CE2 4.29Å; K533-F627 HydrophobicContact CG-CZ 4.11Å; K533-D653 WeakPolarHBondContact CE-OD2 3.43Å; K533-D653 IonicContact NZ-OD1 3.75Å; K533-D653 PolarHBondContact NZ-OD1 2.72Å; K533-D653 IonicContact NZ-OD2 3.1Å; K533-D653 PolarHBondContact NZ-OD2 3.45Å; K533-W748 HydrophobicContact CG-CH2 3.97Å; K533-W748 HydrophobicContact CG-CZ2 4.24Å
534Q54.9Low50.3Low65 Ų6542.8 Ų42.830%0.30422%0.221SC..Hα-helixtrans-60.5-45.2173.5-73.9174.112.700111.1T374 N530 Y531 I532 G536 Q537 L538T374-Q534 PolarHBondContact OG1-OE1 3.38Å; N530-Q534 WeakPolarHBondContact O-CB 3.44Å; N530-Q534 VanDerWaalsContact O-CG 3.29Å; N530-Q534 WeakPolarHBondContact O-CG 3.45Å; N530-Q534 PolarHBondContact O-N 3.24Å; Y531-Q534 WeakPolarHBondContact O-CB 3.48Å; Y531-Q534 PolarHBondContact O-N 2.99Å; I532-Q534 VanDerWaalsContact C-N 3.33Å; I532-Q534 PolarHBondContact O-N 3.23Å; Q534-G536 VanDerWaalsContact C-N 3.32Å; Q534-G536 PolarHBondContact O-N 2.8Å; Q534-Q537 WeakPolarHBondContact O-CB 3.44Å; Q534-Q537 PolarHBondContact O-N 3.03Å; Q534-L538 VanDerWaalsContact O-CB 3.24Å; Q534-L538 WeakPolarHBondContact O-CB 3.41Å; Q534-L538 VanDerWaalsContact O-CD1 3.29Å; Q534-L538 WeakPolarHBondContact O-CD1 3.35Å; Q534-L538 WeakPolarHBondContact O-CG 3.33Å; Q534-L538 PolarHBondContact O-N 2.84Å
535I51.1Low49.2Very low21 Ų2149.5 Ų49.511%0.10825%0.25CC..Hα-helixtrans-57.8-43.7173.9-72.8166.7000111.2L370 Y531 I532 L538 I539 F617 Y623L370-I535 HydrophobicContact CD2-CD1 3.2Å; L370-I535 HydrophobicContact CD2-CG1 4.32Å; Y531-I535 WeakPolarHBondContact O-CG1 3.25Å; Y531-I535 PolarHBondContact O-N 3.48Å; I532-I535 CarbonylContact O-C 3.51Å; I532-I535 WeakPolarHBondContact O-CA 3.25Å; I532-I535 WeakPolarHBondContact O-CB 3.23Å; I532-I535 PolarHBondContact O-N 3.48Å; I532-I535 VanDerWaalsContact O-N 3.09Å; I535-L538 CarbonylContact O-C 3.52Å; I535-L538 WeakPolarHBondContact O-CB 3.29Å; I535-L538 PolarHBondContact O-N 2.84Å; I535-I539 HydrophobicContact CG2-CD1 3.52Å; I535-I539 HydrophobicContact CG2-CG1 4.13Å; I535-I539 WeakPolarHBondContact O-CB 3.49Å; I535-I539 VanDerWaalsContact O-CG1 3.27Å; I535-I539 WeakPolarHBondContact O-CG1 3.35Å; I535-I539 PolarHBondContact O-N 3.17Å; I535-F617 HydrophobicContact CD1-CZ 4.22Å; I535-F617 HydrophobicContact CG2-CE1 3.89Å; I535-F617 HydrophobicContact CG2-CZ 4.43Å; I535-Y623 HydrophobicContact CG2-CE2 4.37Å
536G51.7Low47.9Very low11 Ų1148 Ų4811%0.11325%0.253CS..Hα-helixtrans-63.8-44.7177.200000113.3I532 K533 Q534 L538 I539 G540 Y623I532-G536 PolarHBondContact O-N 3.29Å; K533-G536 PolarHBondContact O-N 3.2Å; Q534-G536 VanDerWaalsContact C-N 3.32Å; Q534-G536 PolarHBondContact O-N 2.8Å; G536-L538 PolarHBondContact O-N 3.06Å; G536-I539 PolarHBondContact O-N 3.38Å; G536-G540 PolarHBondContact O-N 2.89Å; G536-G540 VanDerWaalsContact O-N 3.07Å; G536-Y623 VanDerWaalsContact CA-CZ 3.45Å; G536-Y623 WeakPolarHBondContact CA-OH 3.49Å; G536-Y623 PolarHBondContact N-OH 3.29Å
537Q51.8Low46.5Very low34 Ų3454.8 Ų54.816%0.15929%0.29CS..Hα-helixtrans-57.2-41.8173.4-69.9158.16.100111.1K533 Q534 F747 W748K533-Q537 WeakPolarHBondContact O-CG 3.23Å; K533-Q537 PolarHBondContact O-N 2.97Å; Q534-Q537 WeakPolarHBondContact O-CB 3.44Å; Q534-Q537 PolarHBondContact O-N 3.03Å; Q537-F747 HydrophobicContact CG-CE1 3.94Å; Q537-F747 HydrophobicContact CG-CZ 4.2Å; Q537-F747 VanDerWaalsContact NE2-CZ 3.33Å; Q537-W748 HydrophobicContact CB-CE3 4.48Å; Q537-W748 HydrophobicContact CB-CZ3 4.25Å; Q537-W748 HydrophobicContact CG-CD2 4.25Å; Q537-W748 HydrophobicContact CG-CE3 3.67Å; Q537-W748 HydrophobicContact CG-CH2 3.63Å; Q537-W748 HydrophobicContact CG-CZ2 4.21Å; Q537-W748 HydrophobicContact CG-CZ3 3.34Å
538L43.3Very low45.1Very low45 Ų4559.8 Ų59.824%0.23632%0.316CS..Hα-helixtrans-70.1-44.2177.2-69.3167.4000110R377 Q534 I535 G536 G540R377-L538 HydrophobicContact CB-CD2 4.28Å; R377-L538 HydrophobicContact CG-CD2 3.66Å; R377-L538 VanDerWaalsContact NE-CD2 3.32Å; R377-L538 VanDerWaalsContact NH1-CB 3.33Å; R377-L538 PolarHBondContact NH1-O 3.28Å; R377-L538 PolarHBondContact NH2-O 2.98Å; Q534-L538 VanDerWaalsContact O-CB 3.24Å; Q534-L538 WeakPolarHBondContact O-CB 3.41Å; Q534-L538 VanDerWaalsContact O-CD1 3.29Å; Q534-L538 WeakPolarHBondContact O-CD1 3.35Å; Q534-L538 WeakPolarHBondContact O-CG 3.33Å; Q534-L538 PolarHBondContact O-N 2.84Å; I535-L538 CarbonylContact O-C 3.52Å; I535-L538 WeakPolarHBondContact O-CB 3.29Å; I535-L538 PolarHBondContact O-N 2.84Å; G536-L538 PolarHBondContact O-N 3.06Å; L538-G540 PolarHBondContact O-N 3.12Å
539I46.3Very low43.7Very low53 Ų5364.3 Ų64.327%0.27235%0.347SS..Hα-helixtrans-62.2-31.6-179.9-71.2168.3000111.2I535 G536 L541 W542 F617 Y623I535-I539 HydrophobicContact CG2-CD1 3.52Å; I535-I539 HydrophobicContact CG2-CG1 4.13Å; I535-I539 WeakPolarHBondContact O-CB 3.49Å; I535-I539 VanDerWaalsContact O-CG1 3.27Å; I535-I539 WeakPolarHBondContact O-CG1 3.35Å; I535-I539 PolarHBondContact O-N 3.17Å; G536-I539 PolarHBondContact O-N 3.38Å; I539-L541 WeakPolarHBondContact O-CA 3.32Å; I539-L541 WeakPolarHBondContact O-CB 3.19Å; I539-L541 PolarHBondContact O-N 3.14Å; I539-W542 HydrophobicContact CG2-CB 4.41Å; I539-W542 HydrophobicContact CG2-CG 4.38Å; I539-F617 HydrophobicContact CD1-CD1 4.35Å; I539-Y623 HydrophobicContact CD1-CD2 4.47Å
540G43.9Very low42.1Very low34 Ų3470 Ų7035%0.35138%0.377SS..  trans46.3-8.115400000121G536 L538G536-G540 PolarHBondContact O-N 2.89Å; G536-G540 VanDerWaalsContact O-N 3.07Å; L538-G540 PolarHBondContact O-N 3.12Å
541L42.5Very low40.4Very low97 Ų9773.1 Ų73.151%0.50839%0.388SS..SBendtrans-148.4-8.2-156.1-92.4160.2000113.6I539I539-L541 WeakPolarHBondContact O-CA 3.32Å; I539-L541 WeakPolarHBondContact O-CB 3.19Å; I539-L541 PolarHBondContact O-N 3.14Å
542W34.8Very low39.1Very low79 Ų7983 Ų8330%0.29943%0.425SS..Hα-helixtrans-77.4-38.2174.1-86.842.5000112.6I457 I539 I544 S546 T618I457-W542 HydrophobicContact CG1-CZ2 4.19Å; I539-W542 HydrophobicContact CG2-CB 4.41Å; I539-W542 HydrophobicContact CG2-CG 4.38Å; W542-I544 PolarHBondContact O-N 3.32Å; W542-I544 VanDerWaalsContact O-N 3.13Å; W542-S546 PolarHBondContact O-N 3.03Å; W542-S546 PolarHBondContact O-OG 3.19Å; W542-T618 VanDerWaalsContact CH2-O 3.23Å; W542-T618 WeakPolarHBondContact CH2-O 3.49Å; W542-T618 WeakPolarHBondContact CZ3-O 3.43Å
543C40.2Very low37.7Very low59 Ų5989.2 Ų89.240%0.39945%0.454SS..Hα-helixtrans-66-21.2-174.6-56.40000113.9S620 Q661C543-S620 PolarHBondContact SG-OG 3.45Å; C543-Q661 PolarHBondContact SG-NE2 3.23Å; C543-Q661 PolarHBondContact SG-OE1 3.01Å
544I35.5Very low36.3Very low77 Ų7796.7 Ų96.740%0.39549%0.487SS..Hα-helixtrans-105.2-19.2-170.8-53.2176.6000113.2W542 Y749 I752W542-I544 PolarHBondContact O-N 3.32Å; W542-I544 VanDerWaalsContact O-N 3.13Å; I544-Y749 HydrophobicContact CD1-CD1 4.21Å; I544-Y749 HydrophobicContact CD1-CE1 4.39Å; I544-I752 HydrophobicContact CB-CD1 4.31Å; I544-I752 HydrophobicContact CD1-CD1 3.42Å; I544-I752 VanDerWaalsContact CD1-CD1 3.42Å; I544-I752 HydrophobicContact CG1-CD1 4.43Å; I544-I752 HydrophobicContact CG2-CD1 3.79Å
545K27.2Very low34.9Very low156 Ų156100.2 Ų100.268%0.67850%0.498SS*.Hα-helixtrans-119.6-7-177.5-82.2-171.7177.1179.80116.5N547K545-N547 PolarHBondContact O-N 2.78Å
546S27Very low33.9Very low61 Ų61102.9 Ų102.943%0.42752%0.518SS..THydrogen-bonded Turntrans-8049.1176.372.80000113.1W542W542-S546 PolarHBondContact O-N 3.03Å; W542-S546 PolarHBondContact O-OG 3.19Å
547N27Very low32.9Very low165 Ų165108.4 Ų108.488%0.88255%0.545SS*.THydrogen-bonded Turntrans-89.28.7152.6-94.5-12.2000111.3K545 P549K545-N547 PolarHBondContact O-N 2.78Å; N547-P549 WeakPolarHBondContact O-CD 3.2Å
548L24.2Very low31.7Very low132 Ų132111.6 Ų111.669%0.69156%0.562SS**SBendtrans-65.8119.4164.4-85.6150.3000108.4I550L548-I550 PolarHBondContact O-N 3.34Å
549P24.2Very low31.1Very low120 Ų120114.2 Ų114.278%0.77958%0.577SS**  trans-70.286.8175.529.3-31.1000107.8N547 H551N547-P549 WeakPolarHBondContact O-CD 3.2Å; P549-H551 PolarHBondContact O-N 3.29Å; P549-H551 VanDerWaalsContact O-N 3.1Å
550I26.1Very low30.4Very low122 Ų122118.5 Ų118.563%0.62659%0.593SS**  trans-65.7112.4173.5-62.6169.3000106.4L548 R552L548-I550 PolarHBondContact O-N 3.34Å; I550-R552 PolarHBondContact O-N 2.92Å
551H24.5Very low29.9Very low139 Ų139121.1 Ų121.164%0.64460%0.603SS**  trans-25.5105179.6-94.3-101.9000113.6P549 E553P549-H551 PolarHBondContact O-N 3.29Å; P549-H551 VanDerWaalsContact O-N 3.1Å; H551-E553 IonicContact CE1-OE2 3.17Å; H551-E553 IonicContact ND1-OE2 2.72Å; H551-E553 PolarHBondContact ND1-OE2 2.86Å; H551-E553 PolarHBondContact O-N 3.25Å
552R26.4Very low29.4Very low232 Ų232120.2 Ų120.288%0.87560%0.597SS**G310 helixtrans-56.2-14.5170.9-105.7-178.1177.5179.7-0.3113.7I550 K554 Y555I550-R552 PolarHBondContact O-N 2.92Å; R552-K554 PolarHBondContact O-N 3.19Å; R552-Y555 PolarHBondContact O-N 3.42Å
553E28.4Very low29.3Very low143 Ų143121 Ų12167%0.66861%0.607SS**G310 helixtrans-69-27.6-171.7-70.6178.4149.300114.3H551 S556H551-E553 IonicContact CE1-OE2 3.17Å; H551-E553 IonicContact ND1-OE2 2.72Å; H551-E553 PolarHBondContact ND1-OE2 2.86Å; H551-E553 PolarHBondContact O-N 3.25Å; E553-S556 PolarHBondContact O-OG 2.99Å
554K30.3Very low28.9Very low186 Ų186122.3 Ų122.381%0.80961%0.61SS**G310 helixtrans-81-19-180-78.7-171.7176.9-178.30115R552 S556R552-K554 PolarHBondContact O-N 3.19Å; K554-S556 PolarHBondContact O-N 3.41Å
555Y27.1Very low28.8Very low139 Ų139121.6 Ų121.655%0.54561%0.612SS.*Hα-helixtrans-77.1-9.1175.1-75.6-80.6000113.6R552 L557 L558 N559R552-Y555 PolarHBondContact O-N 3.42Å; Y555-L557 PolarHBondContact O-N 3.14Å; Y555-L558 HydrophobicContact CD1-CD2 4.48Å; Y555-L558 PolarHBondContact O-N 3.11Å; Y555-N559 PolarHBondContact O-N 2.9Å
556S30.2Very low29Very low76 Ų76118.8 Ų118.853%0.53160%0.604SS.*Hα-helixtrans-63-28.6173.268.90000112.6E553 K554 K560E553-S556 PolarHBondContact O-OG 2.99Å; K554-S556 PolarHBondContact O-N 3.41Å; S556-K560 WeakPolarHBondContact O-CB 3.49Å; S556-K560 PolarHBondContact O-N 3.17Å
557L29.8Very low29.4Very low127 Ų127120.9 Ų120.967%0.66561%0.609SS**Hα-helixtrans-73.9-41.4177.5-117.7105.2000112.3Y555 K560 V561Y555-L557 PolarHBondContact O-N 3.14Å; L557-K560 WeakPolarHBondContact O-CB 3.44Å; L557-K560 PolarHBondContact O-N 3.06Å; L557-V561 WeakPolarHBondContact O-CG2 3.48Å; L557-V561 PolarHBondContact O-N 3.16Å
558L27.4Very low29.8Very low101 Ų101118 Ų11853%0.52959%0.594SS.*Hα-helixtrans-66-43.4-179.8-165.278.7000111.4Y555 K560 V561 I562Y555-L558 HydrophobicContact CD1-CD2 4.48Å; Y555-L558 PolarHBondContact O-N 3.11Å; L558-K560 PolarHBondContact O-N 2.98Å; L558-V561 PolarHBondContact O-N 3.41Å; L558-I562 HydrophobicContact CD2-CD1 4.43Å; L558-I562 HydrophobicContact CG-CD1 4.13Å; L558-I562 WeakPolarHBondContact O-CG1 3.38Å; L558-I562 PolarHBondContact O-N 3.26Å
559N31Very low30.2Very low101 Ų101118 Ų11854%0.5459%0.59SS.*Hα-helixtrans-65-29.5174.6-83.5-7.8000112.5Y555 N563Y555-N559 PolarHBondContact O-N 2.9Å; N559-N563 WeakPolarHBondContact O-CB 3.34Å; N559-N563 PolarHBondContact O-N 2.85Å; N559-N563 PolarHBondContact O-ND2 3.5Å
560K31.3Very low30.7Very low142 Ų142119.3 Ų119.362%0.61759%0.586SS**Hα-helixtrans-68.9-44.7174.1-136.3176.7-177.6-176.40111.4S556 L557 L558 I562 N563 D564S556-K560 WeakPolarHBondContact O-CB 3.49Å; S556-K560 PolarHBondContact O-N 3.17Å; L557-K560 WeakPolarHBondContact O-CB 3.44Å; L557-K560 PolarHBondContact O-N 3.06Å; L558-K560 PolarHBondContact O-N 2.98Å; K560-I562 PolarHBondContact O-N 3.38Å; K560-N563 PolarHBondContact O-N 3.29Å; K560-D564 WeakPolarHBondContact O-CB 3.41Å; K560-D564 PolarHBondContact O-N 2.95Å
561V33Very low31.1Very low90 Ų90116.8 Ų116.855%0.54558%0.579SS.*Hα-helixtrans-64.6-40.4177.3175.70000111.6L557 L558 D564 S565L557-V561 WeakPolarHBondContact O-CG2 3.48Å; L557-V561 PolarHBondContact O-N 3.16Å; L558-V561 PolarHBondContact O-N 3.41Å; V561-D564 PolarHBondContact O-N 2.97Å; V561-S565 WeakPolarHBondContact O-CB 3.33Å; V561-S565 PolarHBondContact O-N 3.36Å; V561-S565 PolarHBondContact O-OG 3.25Å
562I31.1Very low31.5Very low78 Ų78113.8 Ų113.840%0.457%0.571SS.*Hα-helixtrans-65.9-44.1176.5-66.7168.6000110.6L558 K560 S565 L566L558-I562 HydrophobicContact CD2-CD1 4.43Å; L558-I562 HydrophobicContact CG-CD1 4.13Å; L558-I562 WeakPolarHBondContact O-CG1 3.38Å; L558-I562 PolarHBondContact O-N 3.26Å; K560-I562 PolarHBondContact O-N 3.38Å; I562-S565 WeakPolarHBondContact CA-OG 3.31Å; I562-S565 PolarHBondContact O-N 3.42Å; I562-S565 PolarHBondContact O-OG 2.98Å; I562-L566 HydrophobicContact CG2-CD1 4.05Å; I562-L566 PolarHBondContact O-N 2.86Å
563N33Very low31.7Very low94 Ų94112.5 Ų112.550%0.50357%0.566SS.*Hα-helixtrans-66.8-39.3176.9-76.9-17.6000112.6N559 K560 S565 L566 I567N559-N563 WeakPolarHBondContact O-CB 3.34Å; N559-N563 PolarHBondContact O-N 2.85Å; N559-N563 PolarHBondContact O-ND2 3.5Å; K560-N563 PolarHBondContact O-N 3.29Å; N563-S565 VanDerWaalsContact C-N 3.35Å; N563-S565 PolarHBondContact O-N 2.84Å; N563-L566 PolarHBondContact O-N 2.83Å; N563-I567 WeakPolarHBondContact O-CB 3.43Å; N563-I567 WeakPolarHBondContact O-CD1 3.46Å; N563-I567 WeakPolarHBondContact O-CG1 3.46Å; N563-I567 PolarHBondContact O-N 3.4Å
564D32.5Very low32Very low88 Ų88112 Ų11247%0.47157%0.568SS.*Hα-helixtrans-67.5-35.5178.3-70.8-18.1000111.7K560 V561 N568K560-D564 WeakPolarHBondContact O-CB 3.41Å; K560-D564 PolarHBondContact O-N 2.95Å; V561-D564 PolarHBondContact O-N 2.97Å; D564-N568 PolarHBondContact O-N 3.05Å; D564-N568 VanDerWaalsContact O-N 3.14Å; D564-N568 PolarHBondContact O-ND2 3.04Å
565S34.2Very low32.3Very low61 Ų61106.7 Ų106.743%0.42755%0.554SS.*Hα-helixtrans-71.5-36.4174.657.80000113.2V561 I562 N563 N568 Q569V561-S565 WeakPolarHBondContact O-CB 3.33Å; V561-S565 PolarHBondContact O-N 3.36Å; V561-S565 PolarHBondContact O-OG 3.25Å; I562-S565 WeakPolarHBondContact CA-OG 3.31Å; I562-S565 PolarHBondContact O-N 3.42Å; I562-S565 PolarHBondContact O-OG 2.98Å; N563-S565 VanDerWaalsContact C-N 3.35Å; N563-S565 PolarHBondContact O-N 2.84Å; S565-N568 PolarHBondContact O-N 3.32Å; S565-Q569 PolarHBondContact O-N 2.79Å
566L29.6Very low32.6Very low97 Ų97106.6 Ų106.651%0.50856%0.562SS.*Hα-helixtrans-67.7-39.1173-90.6158.3000112.5I562 N563 N568 Q569 Q570I562-L566 HydrophobicContact CG2-CD1 4.05Å; I562-L566 PolarHBondContact O-N 2.86Å; N563-L566 PolarHBondContact O-N 2.83Å; L566-N568 VanDerWaalsContact C-N 3.32Å; L566-N568 PolarHBondContact O-N 3.11Å; L566-Q569 PolarHBondContact O-N 3.47Å; L566-Q570 PolarHBondContact O-N 3.01Å
567I36.1Very low32.7Very low105 Ų105111.5 Ų111.554%0.53858%0.576SS.*Hα-helixtrans-65.5-38.1177-69.2165.6000110.6N563 Q569 Q570 S571N563-I567 WeakPolarHBondContact O-CB 3.43Å; N563-I567 WeakPolarHBondContact O-CD1 3.46Å; N563-I567 WeakPolarHBondContact O-CG1 3.46Å; N563-I567 PolarHBondContact O-N 3.4Å; I567-Q569 VanDerWaalsContact C-N 3.34Å; I567-Q569 PolarHBondContact O-N 2.95Å; I567-Q570 PolarHBondContact O-N 3Å; I567-S571 PolarHBondContact O-N 2.78Å
568N35.7Very low32.9Very low104 Ų104114 Ų11456%0.55659%0.585SS**Hα-helixtrans-68.5-30.2177-77.1-20.5000113.3D564 S565 L566 S571 T572D564-N568 PolarHBondContact O-N 3.05Å; D564-N568 VanDerWaalsContact O-N 3.14Å; D564-N568 PolarHBondContact O-ND2 3.04Å; S565-N568 PolarHBondContact O-N 3.32Å; L566-N568 VanDerWaalsContact C-N 3.32Å; L566-N568 PolarHBondContact O-N 3.11Å; N568-S571 PolarHBondContact O-N 2.84Å; N568-S571 PolarHBondContact O-OG 2.84Å; N568-T572 PolarHBondContact O-N 3.31Å; N568-T572 PolarHBondContact O-OG1 3.43Å
569Q32.5Very low33.1Very low133 Ų133117.9 Ų117.962%0.62160%0.6SS**Hα-helixtrans-71.3-26.3175-76.3-166.4-5.800113.9S565 L566 I567 T572S565-Q569 PolarHBondContact O-N 2.79Å; L566-Q569 PolarHBondContact O-N 3.47Å; I567-Q569 VanDerWaalsContact C-N 3.34Å; I567-Q569 PolarHBondContact O-N 2.95Å; Q569-T572 WeakPolarHBondContact CA-OG1 3.27Å; Q569-T572 PolarHBondContact O-OG1 2.83Å
570Q34.6Very low32.9Very low147 Ų147122 Ų12269%0.68762%0.616SS**Hα-helixtrans-73.5-39.1173.1-82.4-179.9-20.500111.9L566 I567 T572 R573L566-Q570 PolarHBondContact O-N 3.01Å; I567-Q570 PolarHBondContact O-N 3Å; Q570-T572 VanDerWaalsContact C-N 3.26Å; Q570-T572 PolarHBondContact O-N 2.94Å; Q570-R573 PolarHBondContact O-N 2.8Å
571S33.6Very low32.8Very low69 Ų69123.5 Ų123.548%0.48363%0.625SS.*Hα-helixtrans-65-27.4178.971.30000114.2I567 N568 S575I567-S571 PolarHBondContact O-N 2.78Å; N568-S571 PolarHBondContact O-N 2.84Å; N568-S571 PolarHBondContact O-OG 2.84Å; S571-S575 PolarHBondContact O-OG 2.85Å
572T34.8Very low32.8Very low77 Ų77130.2 Ų130.247%0.47264%0.643SS.*Hα-helixtrans-81.4-18.8178.533.80000113.2N568 Q569 Q570 S575 I576N568-T572 PolarHBondContact O-N 3.31Å; N568-T572 PolarHBondContact O-OG1 3.43Å; Q569-T572 WeakPolarHBondContact CA-OG1 3.27Å; Q569-T572 PolarHBondContact O-OG1 2.83Å; Q570-T572 VanDerWaalsContact C-N 3.26Å; Q570-T572 PolarHBondContact O-N 2.94Å; T572-S575 PolarHBondContact O-OG 3.17Å; T572-I576 WeakPolarHBondContact O-CD1 3.38Å; T572-I576 WeakPolarHBondContact O-CG1 3.25Å
573R30.6Very low32.8Very low204 Ų204133.5 Ų133.577%0.7766%0.661SS**Hα-helixtrans-75-33173.5-99.2-176.2175.8172.70.7113.1Q570 S575Q570-R573 PolarHBondContact O-N 2.8Å; R573-S575 VanDerWaalsContact C-N 3.33Å
574D34.7Very low32.7Very low133 Ų133136.1 Ų136.171%0.71167%0.674SS**Hα-helixtrans-76.6-22.1-178.7-68.6-17.2000112.8
575S35Very low32.9Very low74 Ų74137.1 Ų137.152%0.51768%0.683SS.*Hα-helixtrans-82.8-21.2-179.620.80000113.8S571 T572 R573 Q577S571-S575 PolarHBondContact O-OG 2.85Å; T572-S575 PolarHBondContact O-OG 3.17Å; R573-S575 VanDerWaalsContact C-N 3.33Å; S575-Q577 PolarHBondContact O-N 2.8Å
576I34.4Very low33.3Very low138 Ų138139.3 Ų139.371%0.70869%0.69SS**G310 helixtrans-82.9-10.3-175.9-64.4171.8000112.6T572 Q578T572-I576 WeakPolarHBondContact O-CD1 3.38Å; T572-I576 WeakPolarHBondContact O-CG1 3.25Å; I576-Q578 PolarHBondContact O-N 3.29Å
577Q32.9Very low33.6Very low178 Ų178142.9 Ų142.983%0.83270%0.704SS**G310 helixtrans-82.2-2.9177.7-75.4-170.1-3.900115.4S575S575-Q577 PolarHBondContact O-N 2.8Å
578Q32.6Very low33.6Very low181 Ų181144.2 Ų144.285%0.84671%0.712SS**G310 helixtrans-113.57.3-174.7-73.9-169.3-2.800116.7I576I576-Q578 PolarHBondContact O-N 3.29Å
579Q31.4Very low33.6Very low182 Ų182145.1 Ų145.185%0.8571%0.712SS**  trans-125.975.8177.8-77.2177.7-22.900111.8
580Q27.3Very low33.9Very low188 Ų188142.9 Ų142.988%0.87970%0.704SS**  trans-121.981161.9-76.5-174.4-2.500109
581Q28.2Very low33.8Very low173 Ų173142.3 Ų142.381%0.80870%0.701SS**  trans-175.2112.9155.8-119.2166.2-22.200108.2
582Y34.4Very low33.9Very low231 Ų231142.1 Ų142.191%0.90670%0.697SS**  trans167117.7130.6-90.8-68.8000109.1
583D30.4Very low33.9Very low146 Ų146142.6 Ų142.678%0.78170%0.697SS**  trans-69.5155.2178.7-70.1-52.6000113.4
584L32Very low34.2Very low149 Ų149138.6 Ų138.678%0.7869%0.687SS**  trans80.163.1150.6-85.2146.1000118.8
585V36.6Very low34.2Very low110 Ų110136.4 Ų136.467%0.66768%0.678SS**  trans-138.544.9142.7-166.10000109.9Q587V585-Q587 PolarHBondContact O-N 2.87Å; V585-Q587 VanDerWaalsContact O-N 3.08Å
586D41.6Very low34.2Very low106 Ų106138.4 Ų138.457%0.56768%0.678SS**THydrogen-bonded Turntrans-84.140.1-165.3-79.1-39.4000117.1I590D586-I590 HydrophobicContact CB-CD1 4.44Å; D586-I590 WeakPolarHBondContact O-CD1 3.19Å
587Q35.7Very low34.2Very low172 Ų172134.1 Ų134.180%0.80466%0.663SS**THydrogen-bonded Turntrans-133.4-26.6168.7-75.2-170.2-8.700115.4V585V585-Q587 PolarHBondContact O-N 2.87Å; V585-Q587 VanDerWaalsContact O-N 3.08Å
588L36.2Very low34.3Very low134 Ų134129.5 Ų129.570%0.70264%0.644SS**Hα-helixtrans-92.3-28.5178.3-90.8152.4000113.2
589E35.4Very low34.2Very low122 Ų122127 Ų12757%0.5763%0.632SS**Hα-helixtrans-76.7-29.7178-80.2-175.9154.400112.9E591 T592 D593E589-E591 VanDerWaalsContact C-N 3.35Å; E589-E591 PolarHBondContact O-N 2.75Å; E589-T592 WeakPolarHBondContact CA-OG1 3.24Å; E589-T592 PolarHBondContact O-N 2.83Å; E589-T592 VanDerWaalsContact O-N 3.12Å; E589-T592 PolarHBondContact O-OG1 2.63Å; E589-D593 WeakPolarHBondContact O-CB 3.33Å; E589-D593 PolarHBondContact O-N 2.67Å
590I39.5Very low34.3Very low86 Ų86123.4 Ų123.444%0.44162%0.618SS.*Hα-helixtrans-64.2-38.1-179.7-58.6179.1000111.5D586 Q594D586-I590 HydrophobicContact CB-CD1 4.44Å; D586-I590 WeakPolarHBondContact O-CD1 3.19Å; I590-Q594 WeakPolarHBondContact O-CB 3.14Å; I590-Q594 WeakPolarHBondContact O-CG 3.25Å; I590-Q594 PolarHBondContact O-N 2.91Å
591E32.7Very low34.3Very low135 Ų135116.4 Ų116.463%0.63159%0.585SS**Hα-helixtrans-69.5-36174.4-75.6-172.816000112.1E589 T595E589-E591 VanDerWaalsContact C-N 3.35Å; E589-E591 PolarHBondContact O-N 2.75Å; E591-T595 WeakPolarHBondContact O-CG2 3.48Å; E591-T595 PolarHBondContact O-N 3.27Å; E591-T595 PolarHBondContact O-OG1 3.07Å
592T35.9Very low34.4Very low65 Ų65109.7 Ų109.740%0.39955%0.554SS.*Hα-helixtrans-75-27.9177.855.40000113.5E589 T595 K596E589-T592 WeakPolarHBondContact CA-OG1 3.24Å; E589-T592 PolarHBondContact O-N 2.83Å; E589-T592 VanDerWaalsContact O-N 3.12Å; E589-T592 PolarHBondContact O-OG1 2.63Å; T592-T595 VanDerWaalsContact CA-OG1 3.31Å; T592-T595 WeakPolarHBondContact CA-OG1 3.5Å; T592-T595 PolarHBondContact O-OG1 3.3Å; T592-K596 WeakPolarHBondContact O-CG 3.16Å; T592-K596 PolarHBondContact O-N 2.8Å
593D35.6Very low34.1Very low88 Ų88103.1 Ų103.147%0.47154%0.535SS..Hα-helixtrans-86-29.8178-78.1-13.1000112.5E589 K596 A597E589-D593 WeakPolarHBondContact O-CB 3.33Å; E589-D593 PolarHBondContact O-N 2.67Å; D593-K596 PolarHBondContact O-N 3.16Å; D593-K596 IonicContact OD1-NZ 3.84Å; D593-A597 VanDerWaalsContact O-CB 3.24Å; D593-A597 WeakPolarHBondContact O-CB 3.37Å; D593-A597 PolarHBondContact O-N 3.25Å
594Q34.9Very low34Very low120 Ų120101.9 Ų101.956%0.56152%0.524SS*.Hα-helixtrans-62-48166.4-80-179.2-12.800110.9I590 K596 A597 D598I590-Q594 WeakPolarHBondContact O-CB 3.14Å; I590-Q594 WeakPolarHBondContact O-CG 3.25Å; I590-Q594 PolarHBondContact O-N 2.91Å; Q594-K596 VanDerWaalsContact C-N 3.32Å; Q594-K596 PolarHBondContact O-N 2.96Å; Q594-A597 PolarHBondContact O-N 3.12Å; Q594-D598 VanDerWaalsContact O-CB 3.27Å; Q594-D598 WeakPolarHBondContact O-CB 3.22Å; Q594-D598 PolarHBondContact O-N 2.97Å; Q594-D598 VanDerWaalsContact O-OD2 3.1Å
595T36Very low33.8Very low86 Ų8697.5 Ų97.553%0.52851%0.506SS..Hα-helixtrans-62.1-35.3177.646.40000113.4E591 T592 Q599E591-T595 WeakPolarHBondContact O-CG2 3.48Å; E591-T595 PolarHBondContact O-N 3.27Å; E591-T595 PolarHBondContact O-OG1 3.07Å; T592-T595 VanDerWaalsContact CA-OG1 3.31Å; T592-T595 WeakPolarHBondContact CA-OG1 3.5Å; T592-T595 PolarHBondContact O-OG1 3.3Å; T595-Q599 PolarHBondContact O-N 3.46Å; T595-Q599 VanDerWaalsContact O-N 3.08Å
596K34.4Very low33.3Very low117 Ų11794 Ų9451%0.50948%0.483SS..Hα-helixtrans-72-41.5172.9-77175.4-169.3159.10113.3T592 D593 Q594 D598 Q599 I600T592-K596 WeakPolarHBondContact O-CG 3.16Å; T592-K596 PolarHBondContact O-N 2.8Å; D593-K596 PolarHBondContact O-N 3.16Å; D593-K596 IonicContact OD1-NZ 3.84Å; Q594-K596 VanDerWaalsContact C-N 3.32Å; Q594-K596 PolarHBondContact O-N 2.96Å; K596-D598 VanDerWaalsContact C-N 3.31Å; K596-Q599 WeakPolarHBondContact O-CB 3.47Å; K596-Q599 PolarHBondContact O-N 3.39Å; K596-I600 WeakPolarHBondContact O-CG1 3.14Å; K596-I600 PolarHBondContact O-N 3.38Å
597A33.9Very low32.7Very low47 Ų4792.6 Ų92.639%0.38848%0.475SS..Hα-helixtrans-65.2-38.9177.300000111.2D593 Q594 I600 Q601D593-A597 VanDerWaalsContact O-CB 3.24Å; D593-A597 WeakPolarHBondContact O-CB 3.37Å; D593-A597 PolarHBondContact O-N 3.25Å; Q594-A597 PolarHBondContact O-N 3.12Å; A597-I600 PolarHBondContact O-N 2.9Å; A597-Q601 VanDerWaalsContact O-CB 3.26Å; A597-Q601 WeakPolarHBondContact O-CB 3.23Å; A597-Q601 PolarHBondContact O-N 2.74Å
598D34.9Very low32.5Very low82 Ų8291 Ų9144%0.43947%0.466SS..Hα-helixtrans-65.7-37.6174.7-68.8-28.8000111.5Q594 K596 Q601 L602Q594-D598 VanDerWaalsContact O-CB 3.27Å; Q594-D598 WeakPolarHBondContact O-CB 3.22Å; Q594-D598 PolarHBondContact O-N 2.97Å; Q594-D598 VanDerWaalsContact O-OD2 3.1Å; K596-D598 VanDerWaalsContact C-N 3.31Å; D598-Q601 PolarHBondContact O-N 2.66Å; D598-L602 WeakPolarHBondContact O-CB 3.33Å; D598-L602 PolarHBondContact O-N 2.98Å
599Q30.8Very low32.1Very low129 Ų12986.9 Ų86.960%0.60345%0.452SS*.Hα-helixtrans-60.8-49.7171.1-95.9-177-2000112.7T595 K596 Q601 L602 D603T595-Q599 PolarHBondContact O-N 3.46Å; T595-Q599 VanDerWaalsContact O-N 3.08Å; K596-Q599 WeakPolarHBondContact O-CB 3.47Å; K596-Q599 PolarHBondContact O-N 3.39Å; Q599-Q601 PolarHBondContact O-N 3.49Å; Q599-L602 PolarHBondContact O-N 2.93Å; Q599-D603 PolarHBondContact O-N 3.43Å
600I33.5Very low31.8Very low105 Ų10582.3 Ų82.354%0.53843%0.43SS..Hα-helixtrans-64.5-31-179.1-65.6166.6000111.3K596 A597 H604K596-I600 WeakPolarHBondContact O-CG1 3.14Å; K596-I600 PolarHBondContact O-N 3.38Å; A597-I600 PolarHBondContact O-N 2.9Å; I600-H604 PolarHBondContact O-CD2 3.02Å
601Q28.1Very low31.5Very low42 Ų4282.4 Ų82.420%0.19643%0.431CS..Hα-helixtrans-81.9-31.2-177.1-162.1171.2-26.800112.7A597 D598 Q599 H604A597-Q601 VanDerWaalsContact O-CB 3.26Å; A597-Q601 WeakPolarHBondContact O-CB 3.23Å; A597-Q601 PolarHBondContact O-N 2.74Å; D598-Q601 PolarHBondContact O-N 2.66Å; Q599-Q601 PolarHBondContact O-N 3.49Å; Q601-H604 PolarHBondContact O-N 3.06Å
602L29.8Very low31.6Very low31 Ų3179.1 Ų79.116%0.16242%0.416CS..Hα-helixtrans-68-39.8172-165.579.4000112.2C473 D598 Q599 H604 S605C473-L602 WeakPolarHBondContact O-CD1 3.49Å; D598-L602 WeakPolarHBondContact O-CB 3.33Å; D598-L602 PolarHBondContact O-N 2.98Å; Q599-L602 PolarHBondContact O-N 2.93Å; L602-H604 PolarHBondContact O-N 2.83Å; L602-S605 PolarHBondContact O-OG 2.8Å
603D28.7Very low31.7Very low94 Ų9478.4 Ų78.450%0.50341%0.409SS..Hα-helixtrans-58.6-28.4175.9-79.2-18.5000111.5Q599 L607Q599-D603 PolarHBondContact O-N 3.43Å; D603-L607 WeakPolarHBondContact O-CB 3.28Å; D603-L607 PolarHBondContact O-N 2.72Å
604H28.9Very low31.7Very low120 Ų12075.2 Ų75.256%0.55639%0.392SS*.Hα-helixtrans-80.6-38-176.1-89.5-50.7000115.7I600 Q601 L602 F608I600-H604 PolarHBondContact O-CD2 3.02Å; Q601-H604 PolarHBondContact O-N 3.06Å; L602-H604 PolarHBondContact O-N 2.83Å; H604-F608 PolarHBondContact O-N 3.07Å; H604-F608 VanDerWaalsContact O-N 3.07Å
605S26.9Very low31.7Very low57 Ų5770.3 Ų70.340%0.39937%0.371SS..Hα-helixtrans-77.4-35.1-17633.90000112.4L602 F608 A609L602-S605 PolarHBondContact O-OG 2.8Å; S605-F608 WeakPolarHBondContact O-CB 3.42Å; S605-F608 PolarHBondContact O-N 2.78Å; S605-A609 PolarHBondContact O-N 2.8Å
606I26.6Very low31.9Very low36 Ų3666.7 Ų66.719%0.18535%0.348CS..Hα-helixtrans-71.9-41.4172.4-59175000110.2F471 F608 A609 H610F471-I606 HydrophobicContact CB-CG2 3.68Å; F471-I606 WeakPolarHBondContact O-CD1 3.44Å; F471-I606 WeakPolarHBondContact O-CG2 3.27Å; I606-F608 PolarHBondContact O-N 3.48Å; I606-F608 VanDerWaalsContact O-N 3.13Å; I606-A609 PolarHBondContact O-N 2.07Å; I606-H610 WeakPolarHBondContact O-CB 3.28Å; I606-H610 PolarHBondContact O-N 3.36Å
607L28.9Very low32.3Very low77 Ų7764.3 Ų64.340%0.40334%0.338SS..Hα-helixtrans-58.1-24.8171.5-164.179.9000112D603 H610 N611D603-L607 WeakPolarHBondContact O-CB 3.28Å; D603-L607 PolarHBondContact O-N 2.72Å; L607-H610 WeakPolarHBondContact O-CB 3.48Å; L607-N611 WeakPolarHBondContact O-CB 3.26Å; L607-N611 PolarHBondContact O-N 3.12Å; L607-N611 PolarHBondContact O-ND2 2.74Å; L607-N611 VanDerWaalsContact O-ND2 3.11Å
608F30.5Very low32.8Very low137 Ų13763.7 Ų63.760%0.60133%0.33SS*.Hα-helixtrans-73.5-47176.3-164.2-98.3000112.9H604 S605 I606 H610 N611 H612H604-F608 PolarHBondContact O-N 3.07Å; H604-F608 VanDerWaalsContact O-N 3.07Å; S605-F608 WeakPolarHBondContact O-CB 3.42Å; S605-F608 PolarHBondContact O-N 2.78Å; I606-F608 PolarHBondContact O-N 3.48Å; I606-F608 VanDerWaalsContact O-N 3.13Å; F608-H610 VanDerWaalsContact C-N 3.35Å; F608-N611 PolarHBondContact O-N 2.87Å; F608-H612 AromaticContact CD1-CD2 3.8Å; F608-H612 AromaticContact CE1-CD2 3.57Å; F608-H612 AromaticContact CE1-NE2 3.59Å; F608-H612 AromaticContact CE2-NE2 3.57Å; F608-H612 AromaticContact CZ-CD2 3.77Å; F608-H612 AromaticContact CZ-NE2 3.26Å; F608-H612 VanDerWaalsContact CZ-NE2 3.26Å; F608-H612 WeakPolarHBondContact CZ-NE2 3.29Å; F608-H612 PolarHBondContact O-CD2 2.95Å; F608-H612 PolarHBondContact O-N 3.48Å
609A29.1Very low33.4Very low49 Ų4960.8 Ų60.841%0.40532%0.315SS..Hα-helixtrans-67-38.4174.800000111.9S605 I606 H612 L613S605-A609 PolarHBondContact O-N 2.8Å; I606-A609 PolarHBondContact O-N 2.07Å; A609-H612 PolarHBondContact O-N 3.45Å; A609-L613 PolarHBondContact O-N 3.41Å
610H28Very low34.7Very low25 Ų2555.5 Ų55.512%0.11629%0.293CS..Hα-helixtrans-53.6-54.5169.9-170.1-39.3000111.3F468 T469 I606 L607 F608 H612 I614F468-H610 HydrophobicContact CB-CB 3.64Å; F468-H610 WeakPolarHBondContact CB-CD2 3.31Å; F468-H610 WeakPolarHBondContact CB-ND1 3.3Å; F468-H610 VanDerWaalsContact CB-NE2 3.33Å; F468-H610 WeakPolarHBondContact CB-NE2 3.41Å; F468-H610 HydrophobicContact CD1-CB 4.31Å; F468-H610 HydrophobicContact CG-CB 4Å; F468-H610 AromaticContact CG-CG 3.94Å; F468-H610 PolarHBondContact O-CD2 2.68Å; F468-H610 PolarHBondContact O-NE2 3.42Å; T469-H610 PolarHBondContact N-NE2 3.05Å; I606-H610 WeakPolarHBondContact O-CB 3.28Å; I606-H610 PolarHBondContact O-N 3.36Å; L607-H610 WeakPolarHBondContact O-CB 3.48Å; F608-H610 VanDerWaalsContact C-N 3.35Å; H610-H612 PolarHBondContact O-N 2.83Å; H610-H612 VanDerWaalsContact O-N 3.13Å; H610-I614 WeakPolarHBondContact CE1-CD1 2.8Å; H610-I614 WeakPolarHBondContact ND1-CD1 3.36Å; H610-I614 VanDerWaalsContact O-CB 3.29Å; H610-I614 WeakPolarHBondContact O-CB 3.5Å; H610-I614 WeakPolarHBondContact O-CG1 3.37Å; H610-I614 PolarHBondContact O-N 2.94Å
611N33Very low35.8Very low88 Ų8856.1 Ų56.147%0.47130%0.296SS..Hα-helixtrans-68.2-12.5-179.9-75.3-21.2000114.5L607 F608 P615L607-N611 WeakPolarHBondContact O-CB 3.26Å; L607-N611 PolarHBondContact O-N 3.12Å; L607-N611 PolarHBondContact O-ND2 2.74Å; L607-N611 VanDerWaalsContact O-ND2 3.11Å; F608-N611 PolarHBondContact O-N 2.87Å; N611-P615 WeakPolarHBondContact O-CD 3.31Å; N611-P615 WeakPolarHBondContact O-CG 3.48Å
612H35.6Very low37Very low66 Ų6656.6 Ų56.631%0.30630%0.3SS..Hα-helixtrans-102.2-42.2178.2-75.3-56.8000113.1F608 A609 H610 P615 L616 I626F608-H612 AromaticContact CD1-CD2 3.8Å; F608-H612 AromaticContact CE1-CD2 3.57Å; F608-H612 AromaticContact CE1-NE2 3.59Å; F608-H612 AromaticContact CE2-NE2 3.57Å; F608-H612 AromaticContact CZ-CD2 3.77Å; F608-H612 AromaticContact CZ-NE2 3.26Å; F608-H612 VanDerWaalsContact CZ-NE2 3.26Å; F608-H612 WeakPolarHBondContact CZ-NE2 3.29Å; F608-H612 PolarHBondContact O-CD2 2.95Å; F608-H612 PolarHBondContact O-N 3.48Å; A609-H612 PolarHBondContact O-N 3.45Å; H610-H612 PolarHBondContact O-N 2.83Å; H610-H612 VanDerWaalsContact O-N 3.13Å; H612-P615 VanDerWaalsContact C-CD 3.42Å; H612-P615 WeakPolarHBondContact O-CD 3.12Å; H612-L616 WeakPolarHBondContact O-CD1 3.36Å; H612-L616 VanDerWaalsContact O-CG 3.31Å; H612-L616 WeakPolarHBondContact O-CG 3.24Å; H612-L616 PolarHBondContact O-N 3.38Å; H612-I626 VanDerWaalsContact CA-CD1 3.43Å; H612-I626 HydrophobicContact CB-CD1 3.67Å; H612-I626 HydrophobicContact CB-CG1 4.31Å; H612-I626 WeakPolarHBondContact ND1-CD1 3.48Å; H612-I626 WeakPolarHBondContact ND1-CG1 3.47Å; H612-I626 WeakPolarHBondContact O-CD1 3.25Å
613L37.6Very low38.5Very low50 Ų5055.7 Ų55.726%0.26229%0.294SS..Hα-helixtrans-77.1-31.3179.5-79.5162.2000113.1F468 A609 L616 F617F468-L613 HydrophobicContact CE1-CD1 4.38Å; F468-L613 HydrophobicContact CE2-CB 3.34Å; F468-L613 HydrophobicContact CE2-CD1 4.45Å; F468-L613 HydrophobicContact CZ-CB 3.4Å; F468-L613 VanDerWaalsContact CZ-CB 3.4Å; F468-L613 HydrophobicContact CZ-CD1 3.62Å; F468-L613 HydrophobicContact CZ-CG 4.14Å; A609-L613 PolarHBondContact O-N 3.41Å; L613-L616 HydrophobicContact CD2-CD1 3.56Å; L613-L616 HydrophobicContact CG-CD1 4.16Å; L613-F617 WeakPolarHBondContact O-CD2 3.42Å
614I34.9Very low40.1Very low22 Ų2252.2 Ų52.211%0.11328%0.277CS..Hα-helixtrans-53.4-54.8171.7-72.5-165.1000110.4V464 F468 H610 L616 F617 T618V464-I614 HydrophobicContact CG1-CB 3.49Å; V464-I614 VanDerWaalsContact CG1-CB 3.49Å; V464-I614 HydrophobicContact CG1-CD1 4.28Å; V464-I614 HydrophobicContact CG1-CG1 3.67Å; V464-I614 HydrophobicContact CG1-CG2 3.23Å; V464-I614 VanDerWaalsContact CG1-O 3.27Å; V464-I614 WeakPolarHBondContact CG1-O 3.36Å; V464-I614 WeakPolarHBondContact O-CD1 3.28Å; V464-I614 WeakPolarHBondContact O-CG1 3.37Å; F468-I614 HydrophobicContact CB-CD1 4.46Å; F468-I614 HydrophobicContact CD2-CD1 4.26Å; F468-I614 HydrophobicContact CD2-CG1 3.57Å; F468-I614 HydrophobicContact CE2-CG1 4.24Å; H610-I614 WeakPolarHBondContact CE1-CD1 2.8Å; H610-I614 WeakPolarHBondContact ND1-CD1 3.36Å; H610-I614 VanDerWaalsContact O-CB 3.29Å; H610-I614 WeakPolarHBondContact O-CB 3.5Å; H610-I614 WeakPolarHBondContact O-CG1 3.37Å; H610-I614 PolarHBondContact O-N 2.94Å; I614-L616 PolarHBondContact O-N 3.36Å; I614-F617 PolarHBondContact O-N 2.99Å; I614-T618 PolarHBondContact O-N 3.07Å; I614-T618 PolarHBondContact O-OG1 2.77Å
615P36.5Very low41.7Very low17 Ų1751.8 Ų51.811%0.1128%0.275CS..Hα-helixtrans-90.7-8.5-168.25.117.4000113.4N611 H612 F617 T618 S619 I622N611-P615 WeakPolarHBondContact O-CD 3.31Å; N611-P615 WeakPolarHBondContact O-CG 3.48Å; H612-P615 VanDerWaalsContact C-CD 3.42Å; H612-P615 WeakPolarHBondContact O-CD 3.12Å; P615-F617 PolarHBondContact O-N 3.45Å; P615-T618 WeakPolarHBondContact CA-OG1 3.45Å; P615-S619 PolarHBondContact O-N 3.01Å; P615-S619 VanDerWaalsContact O-N 3.17Å; P615-S619 VanDerWaalsContact O-O 3.06Å; P615-I622 HydrophobicContact CB-CB 3.59Å; P615-I622 HydrophobicContact CB-CD1 3.16Å; P615-I622 HydrophobicContact CB-CG1 3.91Å; P615-I622 HydrophobicContact CB-CG2 3.43Å; P615-I622 VanDerWaalsContact CB-CG2 3.43Å; P615-I622 HydrophobicContact CG-CD1 4.13Å; P615-I622 HydrophobicContact CG-CG2 3.96Å; P615-I622 WeakPolarHBondContact O-CB 3.31Å
616L40.3Very low43.2Very low10 Ų1049.4 Ų49.45%0.05226%0.258CS..Hα-helixtrans-53.1-32.9160.9-89.2162.8000112.4I532 H612 L613 I614 Y623 I626I532-L616 HydrophobicContact CG2-CD2 4.19Å; H612-L616 WeakPolarHBondContact O-CD1 3.36Å; H612-L616 VanDerWaalsContact O-CG 3.31Å; H612-L616 WeakPolarHBondContact O-CG 3.24Å; H612-L616 PolarHBondContact O-N 3.38Å; L613-L616 HydrophobicContact CD2-CD1 3.56Å; L613-L616 HydrophobicContact CG-CD1 4.16Å; I614-L616 PolarHBondContact O-N 3.36Å; L616-Y623 HydrophobicContact CB-CD2 4.49Å; L616-Y623 HydrophobicContact CD2-CD2 3.32Å; L616-Y623 HydrophobicContact CD2-CE2 3.81Å; L616-Y623 HydrophobicContact CD2-CG 3.94Å; L616-Y623 HydrophobicContact CG-CD2 4.49Å; L616-Y623 WeakPolarHBondContact O-CB 2.94Å; L616-I626 HydrophobicContact CD1-CB 4.35Å; L616-I626 HydrophobicContact CD1-CD1 4.31Å; L616-I626 HydrophobicContact CD1-CG2 3.67Å; L616-I626 HydrophobicContact CD2-CB 3.94Å; L616-I626 HydrophobicContact CD2-CG2 3.94Å; L616-I626 HydrophobicContact CG-CB 3.99Å; L616-I626 HydrophobicContact CG-CD1 3.79Å; L616-I626 HydrophobicContact CG-CG2 3.88Å
617F42.9Very low45.1Very low66 Ų6647.7 Ų47.729%0.28925%0.249SC..Hα-helixtrans-104.2-21.4-178.9-68-70.9000114.5V464 I535 I539 L613 I614 P615V464-F617 HydrophobicContact CG2-CB 3.63Å; V464-F617 HydrophobicContact CG2-CD2 4.33Å; V464-F617 HydrophobicContact CG2-CG 4.38Å; I535-F617 HydrophobicContact CD1-CZ 4.22Å; I535-F617 HydrophobicContact CG2-CE1 3.89Å; I535-F617 HydrophobicContact CG2-CZ 4.43Å; I539-F617 HydrophobicContact CD1-CD1 4.35Å; L613-F617 WeakPolarHBondContact O-CD2 3.42Å; I614-F617 PolarHBondContact O-N 2.99Å; P615-F617 PolarHBondContact O-N 3.45Å
618T43.3Very low47Very low35 Ų3545.2 Ų45.222%0.21524%0.237CC..Hα-helixtrans-92.1-20-178.159.90000114V464 W542 I614 P615V464-T618 HydrophobicContact CB-CG2 3.9Å; V464-T618 HydrophobicContact CG1-CG2 3.5Å; V464-T618 HydrophobicContact CG2-CG2 4.14Å; W542-T618 VanDerWaalsContact CH2-O 3.23Å; W542-T618 WeakPolarHBondContact CH2-O 3.49Å; W542-T618 WeakPolarHBondContact CZ3-O 3.43Å; I614-T618 PolarHBondContact O-N 3.07Å; I614-T618 PolarHBondContact O-OG1 2.77Å; P615-T618 WeakPolarHBondContact CA-OG1 3.45Å
619S47.8Very low48.6Very low20 Ų2040.8 Ų40.814%0.1423%0.226CC..  trans-145.7119-175.4-178.30000111P615 I621 I622 Y623P615-S619 PolarHBondContact O-N 3.01Å; P615-S619 VanDerWaalsContact O-N 3.17Å; P615-S619 VanDerWaalsContact O-O 3.06Å; S619-I621 PolarHBondContact O-N 2.99Å; S619-I621 VanDerWaalsContact O-N 3.08Å; S619-I621 PolarHBondContact OG-N 2.99Å; S619-I622 PolarHBondContact O-N 3.19Å; S619-Y623 PolarHBondContact O-N 3.26Å
620S57.8Low50.1Low19 Ų1939.5 Ų39.513%0.13321%0.212CC..Hα-helixtrans-52.9-31170.3-176.90000112.6C543 S624C543-S620 PolarHBondContact SG-OG 3.45Å; S620-S624 WeakPolarHBondContact O-CB 3.39Å; S620-S624 PolarHBondContact O-N 2.87Å
621I57Low52.1Low118 Ų11838.3 Ų38.361%0.60521%0.206SC*.Hα-helixtrans-66.8-44.5178.1-62.1172000109.9S619 S624 Q625S619-I621 PolarHBondContact O-N 2.99Å; S619-I621 VanDerWaalsContact O-N 3.08Å; S619-I621 PolarHBondContact OG-N 2.99Å; I621-S624 WeakPolarHBondContact O-CB 3.29Å; I621-S624 PolarHBondContact O-N 3.47Å; I621-Q625 WeakPolarHBondContact O-CG 3.38Å; I621-Q625 PolarHBondContact O-N 3.27Å
622I52.7Low54Low52 Ų5239.9 Ų39.927%0.26721%0.211SC..Hα-helixtrans-79.7-32.3-175.9-51166000110.7P615 S619 S624 Q625 I626P615-I622 HydrophobicContact CB-CB 3.59Å; P615-I622 HydrophobicContact CB-CD1 3.16Å; P615-I622 HydrophobicContact CB-CG1 3.91Å; P615-I622 HydrophobicContact CB-CG2 3.43Å; P615-I622 VanDerWaalsContact CB-CG2 3.43Å; P615-I622 HydrophobicContact CG-CD1 4.13Å; P615-I622 HydrophobicContact CG-CG2 3.96Å; P615-I622 WeakPolarHBondContact O-CB 3.31Å; S619-I622 PolarHBondContact O-N 3.19Å; I622-S624 VanDerWaalsContact C-N 3.27Å; I622-S624 PolarHBondContact O-N 3.4Å; I622-Q625 PolarHBondContact O-N 3.41Å; I622-I626 HydrophobicContact CG2-CD1 3.59Å; I622-I626 HydrophobicContact CG2-CG1 4.18Å; I622-I626 VanDerWaalsContact O-CG1 3.3Å; I622-I626 WeakPolarHBondContact O-CG1 3.43Å; I622-I626 PolarHBondContact O-N 2.74Å
623Y60.9Low55.3Low11 Ų1139.6 Ų39.64%0.04321%0.214CC..Hα-helixtrans-52.2-50.1165.4176-83.5000111.4I532 I535 G536 I539 L616 S619 Q625 I626 F627 F657I532-Y623 HydrophobicContact CG2-CE2 3.76Å; I532-Y623 PolarHBondContact O-OH 2.95Å; I535-Y623 HydrophobicContact CG2-CE2 4.37Å; G536-Y623 VanDerWaalsContact CA-CZ 3.45Å; G536-Y623 WeakPolarHBondContact CA-OH 3.49Å; G536-Y623 PolarHBondContact N-OH 3.29Å; I539-Y623 HydrophobicContact CD1-CD2 4.47Å; L616-Y623 HydrophobicContact CB-CD2 4.49Å; L616-Y623 HydrophobicContact CD2-CD2 3.32Å; L616-Y623 HydrophobicContact CD2-CE2 3.81Å; L616-Y623 HydrophobicContact CD2-CG 3.94Å; L616-Y623 HydrophobicContact CG-CD2 4.49Å; L616-Y623 WeakPolarHBondContact O-CB 2.94Å; S619-Y623 PolarHBondContact O-N 3.26Å; Y623-Q625 PolarHBondContact O-N 2.88Å; Y623-I626 PolarHBondContact O-N 3.11Å; Y623-F627 HydrophobicContact CE1-CB 4.05Å; Y623-F627 HydrophobicContact CE1-CG 4.38Å; Y623-F627 WeakPolarHBondContact O-CB 3.36Å; Y623-F627 PolarHBondContact O-N 3.36Å; Y623-F657 HydrophobicContact CD1-CE2 4.11Å; Y623-F657 AromaticContact CD1-CZ 3.87Å; Y623-F657 HydrophobicContact CD1-CZ 3.87Å; Y623-F657 AromaticContact CE1-CE2 3.54Å; Y623-F657 HydrophobicContact CE1-CE2 3.54Å; Y623-F657 AromaticContact CE1-CZ 3.67Å; Y623-F657 HydrophobicContact CE1-CZ 3.67Å
624S62.5Low56.5Low21 Ų2137.3 Ų37.315%0.14720%0.202CC..Hα-helixtrans-60.2-44.7179-178.30000112.1S620 I621 I622 I626 T628 F657S620-S624 WeakPolarHBondContact O-CB 3.39Å; S620-S624 PolarHBondContact O-N 2.87Å; I621-S624 WeakPolarHBondContact O-CB 3.29Å; I621-S624 PolarHBondContact O-N 3.47Å; I622-S624 VanDerWaalsContact C-N 3.27Å; I622-S624 PolarHBondContact O-N 3.4Å; S624-I626 VanDerWaalsContact C-N 3.29Å; S624-I626 PolarHBondContact O-N 3.09Å; S624-T628 WeakPolarHBondContact O-CB 3.39Å; S624-T628 WeakPolarHBondContact O-CG2 3.34Å; S624-T628 PolarHBondContact O-N 3.24Å; S624-T628 PolarHBondContact O-OG1 3.42Å; S624-F657 WeakPolarHBondContact OG-CE1 3.42Å
625Q62.9Low58.2Low111 Ų11137 Ų3752%0.51920%0.201SC..Hα-helixtrans-60.9-37.2176.8-72.9173.7-1000112.9I621 I622 Y623 T628 A629I621-Q625 WeakPolarHBondContact O-CG 3.38Å; I621-Q625 PolarHBondContact O-N 3.27Å; I622-Q625 PolarHBondContact O-N 3.41Å; Y623-Q625 PolarHBondContact O-N 2.88Å; Q625-T628 VanDerWaalsContact C-OG1 3.3Å; Q625-T628 WeakPolarHBondContact CA-OG1 3.49Å; Q625-T628 PolarHBondContact O-OG1 3.42Å; Q625-A629 VanDerWaalsContact O-CB 3.24Å; Q625-A629 WeakPolarHBondContact O-CB 3.4Å; Q625-A629 PolarHBondContact O-N 2.85Å
626I58.2Low59.5Low7 Ų737.8 Ų37.84%0.03621%0.211CC..Hα-helixtrans-82.6-42.9-175.4-67.2167.5000111.1H612 L616 I622 Y623 S624 T628 A629 I630H612-I626 VanDerWaalsContact CA-CD1 3.43Å; H612-I626 HydrophobicContact CB-CD1 3.67Å; H612-I626 HydrophobicContact CB-CG1 4.31Å; H612-I626 WeakPolarHBondContact ND1-CD1 3.48Å; H612-I626 WeakPolarHBondContact ND1-CG1 3.47Å; H612-I626 WeakPolarHBondContact O-CD1 3.25Å; L616-I626 HydrophobicContact CD1-CB 4.35Å; L616-I626 HydrophobicContact CD1-CD1 4.31Å; L616-I626 HydrophobicContact CD1-CG2 3.67Å; L616-I626 HydrophobicContact CD2-CB 3.94Å; L616-I626 HydrophobicContact CD2-CG2 3.94Å; L616-I626 HydrophobicContact CG-CB 3.99Å; L616-I626 HydrophobicContact CG-CD1 3.79Å; L616-I626 HydrophobicContact CG-CG2 3.88Å; I622-I626 HydrophobicContact CG2-CD1 3.59Å; I622-I626 HydrophobicContact CG2-CG1 4.18Å; I622-I626 VanDerWaalsContact O-CG1 3.3Å; I622-I626 WeakPolarHBondContact O-CG1 3.43Å; I622-I626 PolarHBondContact O-N 2.74Å; Y623-I626 PolarHBondContact O-N 3.11Å; S624-I626 VanDerWaalsContact C-N 3.29Å; S624-I626 PolarHBondContact O-N 3.09Å; I626-T628 PolarHBondContact O-N 3.18Å; I626-A629 PolarHBondContact O-N 2.74Å; I626-I630 HydrophobicContact CG2-CD1 3.62Å; I626-I630 HydrophobicContact CG2-CG1 4.16Å; I626-I630 WeakPolarHBondContact O-CB 3.45Å; I626-I630 VanDerWaalsContact O-CG1 3.23Å; I626-I630 WeakPolarHBondContact O-CG1 3.01Å; I626-I630 PolarHBondContact O-N 2.9Å
627F66.5Low60.6Low1 Ų141.2 Ų41.20%0.00423%0.226CC..Hα-helixtrans-58-41.5173.1-173.5-102000111.2F529 I532 K533 Y623 G631 L654 F657F529-F627 HydrophobicContact CD2-CD2 4.36Å; F529-F627 AromaticContact CD2-CE2 3.89Å; F529-F627 HydrophobicContact CD2-CE2 3.89Å; F529-F627 HydrophobicContact CD2-CZ 4.37Å; F529-F627 HydrophobicContact CE1-CE2 4.38Å; F529-F627 HydrophobicContact CE1-CZ 4.15Å; F529-F627 AromaticContact CE2-CD2 3.98Å; F529-F627 HydrophobicContact CE2-CD2 3.98Å; F529-F627 HydrophobicContact CE2-CE1 4.06Å; F529-F627 AromaticContact CE2-CE2 3.39Å; F529-F627 HydrophobicContact CE2-CE2 3.39Å; F529-F627 AromaticContact CE2-CZ 3.45Å; F529-F627 HydrophobicContact CE2-CZ 3.45Å; F529-F627 VanDerWaalsContact CE2-CZ 3.45Å; F529-F627 HydrophobicContact CZ-CE1 4.03Å; F529-F627 AromaticContact CZ-CE2 3.68Å; F529-F627 HydrophobicContact CZ-CE2 3.68Å; F529-F627 AromaticContact CZ-CZ 3.31Å; F529-F627 HydrophobicContact CZ-CZ 3.31Å; I532-F627 HydrophobicContact CB-CD2 4.41Å; I532-F627 HydrophobicContact CG2-CD2 3.7Å; I532-F627 HydrophobicContact CG2-CE2 4.45Å; K533-F627 HydrophobicContact CB-CE2 3.8Å; K533-F627 HydrophobicContact CB-CZ 4.13Å; K533-F627 HydrophobicContact CG-CE2 4.29Å; K533-F627 HydrophobicContact CG-CZ 4.11Å; Y623-F627 HydrophobicContact CE1-CB 4.05Å; Y623-F627 HydrophobicContact CE1-CG 4.38Å; Y623-F627 WeakPolarHBondContact O-CB 3.36Å; Y623-F627 PolarHBondContact O-N 3.36Å; F627-G631 PolarHBondContact O-N 3.48Å; F627-L654 HydrophobicContact CD1-CD1 4.34Å; F627-L654 HydrophobicContact CE1-CD1 4.41Å; F627-F657 HydrophobicContact CB-CE1 4.37Å; F627-F657 HydrophobicContact CD1-CB 4.06Å; F627-F657 AromaticContact CD1-CD1 3.43Å; F627-F657 HydrophobicContact CD1-CD1 3.43Å; F627-F657 VanDerWaalsContact CD1-CD1 3.43Å; F627-F657 HydrophobicContact CD1-CD2 4.03Å; F627-F657 AromaticContact CD1-CE1 3.82Å; F627-F657 HydrophobicContact CD1-CE1 3.82Å; F627-F657 HydrophobicContact CD1-CE2 4.39Å; F627-F657 AromaticContact CD1-CG 3.53Å; F627-F657 HydrophobicContact CD1-CG 3.53Å; F627-F657 HydrophobicContact CD1-CZ 4.29Å; F627-F657 HydrophobicContact CE1-CB 3.63Å; F627-F657 AromaticContact CE1-CD1 3.94Å; F627-F657 HydrophobicContact CE1-CD1 3.94Å; F627-F657 HydrophobicContact CE1-CD2 4.15Å; F627-F657 AromaticContact CE1-CG 3.61Å; F627-F657 HydrophobicContact CE1-CG 3.61Å; F627-F657 HydrophobicContact CG-CD1 4.48Å; F627-F657 HydrophobicContact CG-CE1 4.49Å
628T69.5Low61.7Low25 Ų2538.1 Ų38.115%0.15321%0.212CC..Hα-helixtrans-67.4-44.9176.253.40000112.5S624 Q625 I626 G631 Q632 L654 F657 L658S624-T628 WeakPolarHBondContact O-CB 3.39Å; S624-T628 WeakPolarHBondContact O-CG2 3.34Å; S624-T628 PolarHBondContact O-N 3.24Å; S624-T628 PolarHBondContact O-OG1 3.42Å; Q625-T628 VanDerWaalsContact C-OG1 3.3Å; Q625-T628 WeakPolarHBondContact CA-OG1 3.49Å; Q625-T628 PolarHBondContact O-OG1 3.42Å; I626-T628 PolarHBondContact O-N 3.18Å; T628-G631 PolarHBondContact O-N 3.25Å; T628-Q632 WeakPolarHBondContact O-CB 3.47Å; T628-Q632 VanDerWaalsContact O-CG 3.3Å; T628-Q632 WeakPolarHBondContact O-CG 3.42Å; T628-Q632 PolarHBondContact O-N 3.25Å; T628-L654 HydrophobicContact CG2-CD1 3.76Å; T628-F657 HydrophobicContact CG2-CD1 4.28Å; T628-F657 HydrophobicContact CG2-CE1 4.19Å; T628-L658 HydrophobicContact CG2-CD2 3.77Å; T628-L658 HydrophobicContact CG2-CG 4.32Å
629A63.6Low62.9Low43 Ų4341.3 Ų41.336%0.35522%0.223SC..Hα-helixtrans-62.1-44.5176.900000112.7Q625 I626 Q632 T633Q625-A629 VanDerWaalsContact O-CB 3.24Å; Q625-A629 WeakPolarHBondContact O-CB 3.4Å; Q625-A629 PolarHBondContact O-N 2.85Å; I626-A629 PolarHBondContact O-N 2.74Å; A629-Q632 PolarHBondContact O-N 2.95Å; A629-T633 VanDerWaalsContact O-CB 3.32Å; A629-T633 WeakPolarHBondContact O-CB 3.07Å; A629-T633 PolarHBondContact O-N 2.93Å; A629-T633 PolarHBondContact O-OG1 3.07Å
630I61.2Low63.7Low22 Ų2246.6 Ų46.611%0.11325%0.249CC..Hα-helixtrans-64.8-46.5177.6-66175.2000110.2W525 F529 I532 I626 Q632 T633 L634W525-I630 HydrophobicContact CE3-CG2 3.87Å; W525-I630 HydrophobicContact CZ3-CB 4.5Å; W525-I630 HydrophobicContact CZ3-CD1 4.47Å; W525-I630 HydrophobicContact CZ3-CG1 4.06Å; W525-I630 HydrophobicContact CZ3-CG2 3.91Å; F529-I630 HydrophobicContact CB-CG2 4.46Å; F529-I630 HydrophobicContact CD2-CG2 4.01Å; I532-I630 HydrophobicContact CD1-CD1 3.5Å; I626-I630 HydrophobicContact CG2-CD1 3.62Å; I626-I630 HydrophobicContact CG2-CG1 4.16Å; I626-I630 WeakPolarHBondContact O-CB 3.45Å; I626-I630 VanDerWaalsContact O-CG1 3.23Å; I626-I630 WeakPolarHBondContact O-CG1 3.01Å; I626-I630 PolarHBondContact O-N 2.9Å; I630-Q632 PolarHBondContact O-N 3.25Å; I630-T633 PolarHBondContact O-N 2.66Å; I630-L634 WeakPolarHBondContact O-CB 3.18Å; I630-L634 PolarHBondContact O-N 2.67Å
631G69.2Low64.1Low0 Ų047.6 Ų47.60%025%0.253CS..Hα-helixtrans-56.7-50.1176.600000112F627 T628 T633 L634 I635F627-G631 PolarHBondContact O-N 3.48Å; T628-G631 PolarHBondContact O-N 3.25Å; G631-T633 PolarHBondContact O-N 2.92Å; G631-L634 PolarHBondContact O-N 2.75Å; G631-I635 VanDerWaalsContact O-CD1 3.29Å; G631-I635 WeakPolarHBondContact O-CD1 3.11Å; G631-I635 WeakPolarHBondContact O-CG1 3.2Å; G631-I635 PolarHBondContact O-N 2.85Å
632Q73.5Confident64.7Low121 Ų12150 Ų5057%0.56526%0.261SS*.Hα-helixtrans-60.7-43.2177.8-74.1178.8-8.500112.7T628 A629 I630 I635 G636 L654T628-Q632 WeakPolarHBondContact O-CB 3.47Å; T628-Q632 VanDerWaalsContact O-CG 3.3Å; T628-Q632 WeakPolarHBondContact O-CG 3.42Å; T628-Q632 PolarHBondContact O-N 3.25Å; A629-Q632 PolarHBondContact O-N 2.95Å; I630-Q632 PolarHBondContact O-N 3.25Å; Q632-I635 PolarHBondContact O-N 3.45Å; Q632-G636 PolarHBondContact O-N 3.28Å; Q632-L654 HydrophobicContact CG-CD2 4.13Å
633T63.1Low65.3Low61 Ų6149.8 Ų49.837%0.37426%0.264SS..Hα-helixtrans-62.3-45.7178.6-590000110.9A629 I630 G631 I635 G636 F637A629-T633 VanDerWaalsContact O-CB 3.32Å; A629-T633 WeakPolarHBondContact O-CB 3.07Å; A629-T633 PolarHBondContact O-N 2.93Å; A629-T633 PolarHBondContact O-OG1 3.07Å; I630-T633 PolarHBondContact O-N 2.66Å; G631-T633 PolarHBondContact O-N 2.92Å; T633-I635 PolarHBondContact O-N 3.43Å; T633-G636 WeakPolarHBondContact O-CA 3.45Å; T633-G636 PolarHBondContact O-N 3.44Å; T633-G636 VanDerWaalsContact O-N 3.14Å; T633-F637 HydrophobicContact CG2-CD2 3.66Å; T633-F637 HydrophobicContact CG2-CE2 3.42Å; T633-F637 VanDerWaalsContact CG2-CE2 3.42Å; T633-F637 VanDerWaalsContact O-CD2 3.25Å; T633-F637 WeakPolarHBondContact O-CD2 3.36Å; T633-F637 PolarHBondContact O-N 3.49Å
634L62.6Low65.7Low1 Ų151.9 Ų51.91%0.00528%0.278CS..Hα-helixtrans-66.3-38.2179.3-169.957000112.4W525 L526 F529 I630 G631 G636 F637 L638 I650W525-L634 HydrophobicContact CB-CD1 3.61Å; L526-L634 HydrophobicContact CD2-CD2 3.87Å; L526-L634 HydrophobicContact CG-CD1 4.43Å; L526-L634 HydrophobicContact CG-CD2 4.16Å; F529-L634 HydrophobicContact CB-CD2 4.03Å; F529-L634 HydrophobicContact CG-CD2 4.28Å; I630-L634 WeakPolarHBondContact O-CB 3.18Å; I630-L634 PolarHBondContact O-N 2.67Å; G631-L634 PolarHBondContact O-N 2.75Å; L634-G636 VanDerWaalsContact C-N 3.3Å; L634-G636 PolarHBondContact O-N 2.92Å; L634-F637 PolarHBondContact O-N 3.06Å; L634-L638 HydrophobicContact CD1-CD1 4.25Å; L634-L638 HydrophobicContact CD1-CG 4.35Å; L634-L638 HydrophobicContact CG-CD1 3.94Å; L634-L638 HydrophobicContact CG-CG 4.49Å; L634-L638 WeakPolarHBondContact O-CB 3.32Å; L634-L638 WeakPolarHBondContact O-CG 3.21Å; L634-L638 PolarHBondContact O-N 3.24Å; L634-I650 HydrophobicContact CB-CD1 4.3Å; L634-I650 HydrophobicContact CD2-CD1 3.38Å; L634-I650 HydrophobicContact CD2-CG1 4.19Å; L634-I650 HydrophobicContact CG-CD1 3.53Å
635I70Confident66.1Low17 Ų1757.5 Ų57.59%0.08730%0.3CS..Hα-helixtrans-59.1-44171.6-67.5159.1000110.2G631 Q632 T633 K639 A647 I650 V651 L654G631-I635 VanDerWaalsContact O-CD1 3.29Å; G631-I635 WeakPolarHBondContact O-CD1 3.11Å; G631-I635 WeakPolarHBondContact O-CG1 3.2Å; G631-I635 PolarHBondContact O-N 2.85Å; Q632-I635 PolarHBondContact O-N 3.45Å; T633-I635 PolarHBondContact O-N 3.43Å; I635-K639 HydrophobicContact CG2-CD 4.24Å; I635-K639 WeakPolarHBondContact O-CB 3.33Å; I635-K639 VanDerWaalsContact O-CG 3.31Å; I635-K639 WeakPolarHBondContact O-CG 3.38Å; I635-K639 PolarHBondContact O-N 2.96Å; I635-K639 VanDerWaalsContact O-N 3.09Å; I635-A647 HydrophobicContact CG2-CB 4.49Å; I635-I650 HydrophobicContact CD1-CG2 3.97Å; I635-I650 HydrophobicContact CG1-CB 4.03Å; I635-I650 HydrophobicContact CG1-CG2 3.69Å; I635-V651 HydrophobicContact CD1-CB 4.26Å; I635-V651 HydrophobicContact CD1-CG2 3.48Å; I635-V651 VanDerWaalsContact CD1-CG2 3.48Å; I635-V651 HydrophobicContact CG1-CG2 3.78Å; I635-V651 HydrophobicContact CG2-CG2 3.93Å; I635-L654 HydrophobicContact CD1-CD2 4.11Å
636G64.6Low66.3Low32 Ų3257 Ų5733%0.3329%0.294SS..Hα-helixtrans-59.7-51.9175.700000112.5Q632 T633 L634 L638 K639 L640Q632-G636 PolarHBondContact O-N 3.28Å; T633-G636 WeakPolarHBondContact O-CA 3.45Å; T633-G636 PolarHBondContact O-N 3.44Å; T633-G636 VanDerWaalsContact O-N 3.14Å; L634-G636 VanDerWaalsContact C-N 3.3Å; L634-G636 PolarHBondContact O-N 2.92Å; G636-L638 PolarHBondContact O-N 3.39Å; G636-K639 PolarHBondContact O-N 3.35Å; G636-L640 WeakPolarHBondContact O-CG 3.31Å; G636-L640 PolarHBondContact O-N 2.84Å; G636-L640 VanDerWaalsContact O-N 3.07Å
637F62.3Low67.1Low82 Ų8256.6 Ų56.636%0.3629%0.292SS..Hα-helixtrans-61-44.9178.7-80.9-65.9000113T633 L634 K639 L640 I641T633-F637 HydrophobicContact CG2-CD2 3.66Å; T633-F637 HydrophobicContact CG2-CE2 3.42Å; T633-F637 VanDerWaalsContact CG2-CE2 3.42Å; T633-F637 VanDerWaalsContact O-CD2 3.25Å; T633-F637 WeakPolarHBondContact O-CD2 3.36Å; T633-F637 PolarHBondContact O-N 3.49Å; L634-F637 PolarHBondContact O-N 3.06Å; F637-K639 VanDerWaalsContact C-N 3.31Å; F637-K639 PolarHBondContact O-N 3.39Å; F637-L640 WeakPolarHBondContact O-CB 3.17Å; F637-L640 PolarHBondContact O-N 3.23Å; F637-L640 VanDerWaalsContact O-N 3.15Å; F637-I641 WeakPolarHBondContact O-CG1 3.35Å; F637-I641 PolarHBondContact O-N 2.8Å
638L67.5Low67.6Low1 Ų158.2 Ų58.21%0.00530%0.298CS..Hα-helixtrans-67.1-31.6180-74.1167.2000113V522 L526 L634 G636 H642 C643 R646 A647 I650V522-L638 HydrophobicContact CG1-CD2 3.47Å; V522-L638 VanDerWaalsContact CG1-CD2 3.47Å; V522-L638 HydrophobicContact CG1-CG 4.22Å; L526-L638 HydrophobicContact CD2-CD1 4.38Å; L634-L638 HydrophobicContact CD1-CD1 4.25Å; L634-L638 HydrophobicContact CD1-CG 4.35Å; L634-L638 HydrophobicContact CG-CD1 3.94Å; L634-L638 HydrophobicContact CG-CG 4.49Å; L634-L638 WeakPolarHBondContact O-CB 3.32Å; L634-L638 WeakPolarHBondContact O-CG 3.21Å; L634-L638 PolarHBondContact O-N 3.24Å; G636-L638 PolarHBondContact O-N 3.39Å; L638-H642 PolarHBondContact O-N 2.94Å; L638-C643 HydrophobicContact CD2-CB 4.05Å; L638-C643 CarbonylContact O-C 3.5Å; L638-C643 PolarHBondContact O-N 3.16Å; L638-R646 HydrophobicContact CD1-CB 3.98Å; L638-R646 HydrophobicContact CD2-CB 4.22Å; L638-A647 HydrophobicContact CB-CB 3.89Å; L638-A647 HydrophobicContact CD1-CB 4.48Å; L638-I650 HydrophobicContact CD1-CD1 3.21Å
639K67.7Low67.9Low103 Ų10362.9 Ų62.945%0.44832%0.318SS..Hα-helixtrans-67.7-40.1171.6-76.9-179.4177.6-1730111.6I635 G636 F637 I641 H642 A647I635-K639 HydrophobicContact CG2-CD 4.24Å; I635-K639 WeakPolarHBondContact O-CB 3.33Å; I635-K639 VanDerWaalsContact O-CG 3.31Å; I635-K639 WeakPolarHBondContact O-CG 3.38Å; I635-K639 PolarHBondContact O-N 2.96Å; I635-K639 VanDerWaalsContact O-N 3.09Å; G636-K639 PolarHBondContact O-N 3.35Å; F637-K639 VanDerWaalsContact C-N 3.31Å; F637-K639 PolarHBondContact O-N 3.39Å; K639-I641 VanDerWaalsContact C-N 3.34Å; K639-H642 PolarHBondContact O-N 3.41Å; K639-A647 HydrophobicContact CG-CB 4.25Å
640L64.9Low68.5Low130 Ų13061.1 Ų61.168%0.68130%0.303SS*.Hα-helixtrans-65.3-36.5176.7-70.8168.3000112.3G636 F637 H642G636-L640 WeakPolarHBondContact O-CG 3.31Å; G636-L640 PolarHBondContact O-N 2.84Å; G636-L640 VanDerWaalsContact O-N 3.07Å; F637-L640 WeakPolarHBondContact O-CB 3.17Å; F637-L640 PolarHBondContact O-N 3.23Å; F637-L640 VanDerWaalsContact O-N 3.15Å; L640-H642 PolarHBondContact O-N 3.35Å
641I65.7Low69.4Low40 Ų4060.4 Ų60.421%0.20530%0.299CS..THydrogen-bonded Turntrans-86.214-179.5-59165.1000111.6V522 F637 K639 C643V522-I641 HydrophobicContact CG2-CD1 3.22Å; F637-I641 WeakPolarHBondContact O-CG1 3.35Å; F637-I641 PolarHBondContact O-N 2.8Å; K639-I641 VanDerWaalsContact C-N 3.34Å; I641-C643 PolarHBondContact O-N 3.41Å
642H69.9Low70Confident168 Ų16860.9 Ų60.978%0.77830%0.301SS*.THydrogen-bonded Turntrans54.934.7179.4-60.9-68.9000114.2L638 K639 L640 P644L638-H642 PolarHBondContact O-N 2.94Å; K639-H642 PolarHBondContact O-N 3.41Å; L640-H642 PolarHBondContact O-N 3.35Å; H642-P644 WeakPolarHBondContact O-CD 3.34Å
643C65.6Low70.1Confident49 Ų4956 Ų5633%0.33128%0.279SS..  trans-110.659.6175.3-70.80000112.1L638 I641 K645 R646 A647L638-C643 HydrophobicContact CD2-CB 4.05Å; L638-C643 CarbonylContact O-C 3.5Å; L638-C643 PolarHBondContact O-N 3.16Å; I641-C643 PolarHBondContact O-N 3.41Å; C643-K645 VanDerWaalsContact C-N 3.3Å; C643-K645 PolarHBondContact O-N 3.13Å; C643-R646 PolarHBondContact O-N 3.03Å; C643-A647 PolarHBondContact O-N 3.11Å
644P69.2Low70.9Confident54 Ų5453.2 Ų53.235%0.35126%0.262SS..Hα-helixtrans-64.7-29.7-16927.2-36.1000113.6H642 R646 A647 Y648H642-P644 WeakPolarHBondContact O-CD 3.34Å; P644-R646 PolarHBondContact O-N 2.78Å; P644-A647 WeakPolarHBondContact O-CB 3.34Å; P644-A647 PolarHBondContact O-N 3.4Å; P644-A647 VanDerWaalsContact O-N 3.16Å; P644-Y648 HydrophobicContact CB-CE2 3.92Å; P644-Y648 WeakPolarHBondContact O-CD2 3.42Å; P644-Y648 WeakPolarHBondContact O-CE2 3.31Å; P644-Y648 VanDerWaalsContact O-CG 3.27Å; P644-Y648 PolarHBondContact O-N 3.41Å
645K70.1Confident71.8Confident139 Ų13953.1 Ų53.160%0.60426%0.261SS*.Hα-helixtrans-60.4-47.7-178.9-68.2-175.7178.6179.80112.5C643 A647 Y648 E649 W683C643-K645 VanDerWaalsContact C-N 3.3Å; C643-K645 PolarHBondContact O-N 3.13Å; K645-A647 VanDerWaalsContact C-N 3.3Å; K645-A647 PolarHBondContact O-N 2.98Å; K645-Y648 PolarHBondContact O-N 3.41Å; K645-E649 PolarHBondContact O-N 3.21Å; K645-W683 HydrophobicContact CD-CH2 4.49Å
646R68.6Low72.2Confident100 Ų10053 Ų5338%0.37726%0.261SS..Hα-helixtrans-66.1-34.7175.8-75.1-177.3174.6179.1-7.2111.6E523 L638 C643 P644 Y648 E649 I650E523-R646 IonicContact OE1-CZ 2.76Å; E523-R646 VanDerWaalsContact OE1-CZ 3.26Å; E523-R646 IonicContact OE1-NH1 2.78Å; E523-R646 PolarHBondContact OE1-NH1 2.9Å; E523-R646 IonicContact OE1-NH2 3.45Å; E523-R646 PolarHBondContact OE1-NH2 3.22Å; L638-R646 HydrophobicContact CD1-CB 3.98Å; L638-R646 HydrophobicContact CD2-CB 4.22Å; C643-R646 PolarHBondContact O-N 3.03Å; P644-R646 PolarHBondContact O-N 2.78Å; R646-Y648 VanDerWaalsContact C-N 3.31Å; R646-Y648 PolarHBondContact O-N 3.5Å; R646-E649 PolarHBondContact O-N 3.11Å; R646-I650 WeakPolarHBondContact O-CD1 3.19Å; R646-I650 PolarHBondContact O-N 3.24Å
647A73.7Confident72.6Confident0 Ų051.8 Ų51.80%025%0.246CC..Hα-helixtrans-61-41.3174.700000111.2I635 L638 K639 C643 P644 K645 E649 I650 V651I635-A647 HydrophobicContact CG2-CB 4.49Å; L638-A647 HydrophobicContact CB-CB 3.89Å; L638-A647 HydrophobicContact CD1-CB 4.48Å; K639-A647 HydrophobicContact CG-CB 4.25Å; C643-A647 PolarHBondContact O-N 3.11Å; P644-A647 WeakPolarHBondContact O-CB 3.34Å; P644-A647 PolarHBondContact O-N 3.4Å; P644-A647 VanDerWaalsContact O-N 3.16Å; K645-A647 VanDerWaalsContact C-N 3.3Å; K645-A647 PolarHBondContact O-N 2.98Å; A647-E649 PolarHBondContact O-N 3.05Å; A647-I650 PolarHBondContact O-N 3.22Å; A647-V651 VanDerWaalsContact O-CG2 3.25Å; A647-V651 WeakPolarHBondContact O-CG2 3.47Å; A647-V651 PolarHBondContact O-N 3.05Å
648Y78.1Confident73.1Confident35 Ų3548.9 Ų48.914%0.13724%0.235CC..Hα-helixtrans-65.3-35.9177.5-57.1-40.6000113.3P644 K645 R646 I650 V651 Y652 L674 H677P644-Y648 HydrophobicContact CB-CE2 3.92Å; P644-Y648 WeakPolarHBondContact O-CD2 3.42Å; P644-Y648 WeakPolarHBondContact O-CE2 3.31Å; P644-Y648 VanDerWaalsContact O-CG 3.27Å; P644-Y648 PolarHBondContact O-N 3.41Å; K645-Y648 PolarHBondContact O-N 3.41Å; R646-Y648 VanDerWaalsContact C-N 3.31Å; R646-Y648 PolarHBondContact O-N 3.5Å; Y648-I650 VanDerWaalsContact C-N 3.34Å; Y648-I650 PolarHBondContact O-N 3.34Å; Y648-V651 PolarHBondContact O-N 3.22Å; Y648-Y652 WeakPolarHBondContact O-CB 3.15Å; Y648-Y652 PolarHBondContact O-N 3.27Å; Y648-L674 HydrophobicContact CD1-CD2 4.2Å; Y648-L674 HydrophobicContact CG-CD2 4.36Å; Y648-H677 HydrophobicContact CD1-CB 4.36Å; Y648-H677 HydrophobicContact CE1-CB 3.82Å; Y648-H677 AromaticContact CE1-CD2 3.49Å; Y648-H677 VanDerWaalsContact CE1-CD2 3.49Å; Y648-H677 WeakPolarHBondContact CE1-CD2 3.47Å; Y648-H677 AromaticContact CE1-CG 3.5Å; Y648-H677 VanDerWaalsContact CE1-CG 3.5Å; Y648-H677 AromaticContact CE1-ND1 3.99Å; Y648-H677 AromaticContact CE1-NE2 3.95Å; Y648-H677 HydrophobicContact CE2-CB 4.21Å; Y648-H677 AromaticContact CZ-CD2 3.49Å; Y648-H677 VanDerWaalsContact CZ-CD2 3.49Å; Y648-H677 AromaticContact CZ-CG 3.71Å; Y648-H677 PolarHBondContact OH-CD2 2.84Å
649E75.9Confident73.4Confident122 Ų12249.4 Ų49.457%0.5724%0.237SC*.Hα-helixtrans-60.4-44.4173.6-68.5172.7178.900111.3K645 R646 A647 Y652 D653K645-E649 PolarHBondContact O-N 3.21Å; R646-E649 PolarHBondContact O-N 3.11Å; A647-E649 PolarHBondContact O-N 3.05Å; E649-Y652 PolarHBondContact O-N 3.35Å; E649-D653 PolarHBondContact O-N 2.98Å
650I74.9Confident73.4Confident6 Ų645.8 Ų45.83%0.03122%0.224CC..Hα-helixtrans-68.9-40.2177.8-63.9153.5000111.6L526 F529 L634 I635 L638 R646 A647 Y648 Y652 D653 L654L526-I650 HydrophobicContact CD2-CD1 3.85Å; F529-I650 HydrophobicContact CD1-CG1 4.48Å; F529-I650 HydrophobicContact CE1-CG1 4.29Å; F529-I650 HydrophobicContact CE1-CG2 4.03Å; F529-I650 HydrophobicContact CE2-CG2 4.3Å; F529-I650 HydrophobicContact CZ-CG2 3.84Å; L634-I650 HydrophobicContact CB-CD1 4.3Å; L634-I650 HydrophobicContact CD2-CD1 3.38Å; L634-I650 HydrophobicContact CD2-CG1 4.19Å; L634-I650 HydrophobicContact CG-CD1 3.53Å; I635-I650 HydrophobicContact CD1-CG2 3.97Å; I635-I650 HydrophobicContact CG1-CB 4.03Å; I635-I650 HydrophobicContact CG1-CG2 3.69Å; L638-I650 HydrophobicContact CD1-CD1 3.21Å; R646-I650 WeakPolarHBondContact O-CD1 3.19Å; R646-I650 PolarHBondContact O-N 3.24Å; A647-I650 PolarHBondContact O-N 3.22Å; Y648-I650 VanDerWaalsContact C-N 3.34Å; Y648-I650 PolarHBondContact O-N 3.34Å; I650-Y652 PolarHBondContact O-N 3.45Å; I650-D653 PolarHBondContact O-N 2.85Å; I650-L654 VanDerWaalsContact O-CB 3.24Å; I650-L654 WeakPolarHBondContact O-CB 3.41Å; I650-L654 PolarHBondContact O-N 3.42Å
651V80.9Confident73.5Confident7 Ų742.2 Ų42.24%0.04220%0.204CC..Hα-helixtrans-58.1-42174.7175.50000110.1I635 A647 Y648 L654 A655 L670 L674I635-V651 HydrophobicContact CD1-CB 4.26Å; I635-V651 HydrophobicContact CD1-CG2 3.48Å; I635-V651 VanDerWaalsContact CD1-CG2 3.48Å; I635-V651 HydrophobicContact CG1-CG2 3.78Å; I635-V651 HydrophobicContact CG2-CG2 3.93Å; A647-V651 VanDerWaalsContact O-CG2 3.25Å; A647-V651 WeakPolarHBondContact O-CG2 3.47Å; A647-V651 PolarHBondContact O-N 3.05Å; Y648-V651 PolarHBondContact O-N 3.22Å; V651-L654 PolarHBondContact O-N 2.86Å; V651-A655 WeakPolarHBondContact O-CB 3.27Å; V651-A655 PolarHBondContact O-N 3.32Å; V651-L670 HydrophobicContact CG1-CB 4.18Å; V651-L670 HydrophobicContact CG1-CD2 4.06Å; V651-L674 HydrophobicContact CB-CD1 4.26Å; V651-L674 HydrophobicContact CB-CD2 3.98Å; V651-L674 HydrophobicContact CB-CG 4.21Å; V651-L674 HydrophobicContact CG1-CD1 3.69Å; V651-L674 HydrophobicContact CG1-CD2 3.89Å; V651-L674 HydrophobicContact CG1-CG 3.58Å
652Y80.9Confident73.7Confident10 Ų1041.9 Ų41.94%0.03921%0.211CC..Hα-helixtrans-67.6-45.7-180-167.5-72.9000111.2Y648 E649 I650 L654 A655 D656 Y671 L674 Y678 T690 K744Y648-Y652 WeakPolarHBondContact O-CB 3.15Å; Y648-Y652 PolarHBondContact O-N 3.27Å; E649-Y652 PolarHBondContact O-N 3.35Å; I650-Y652 PolarHBondContact O-N 3.45Å; Y652-L654 VanDerWaalsContact C-N 3.3Å; Y652-L654 PolarHBondContact O-N 3.17Å; Y652-A655 WeakPolarHBondContact O-CB 3.37Å; Y652-A655 PolarHBondContact O-N 3.03Å; Y652-D656 WeakPolarHBondContact CD1-OD2 3.49Å; Y652-D656 WeakPolarHBondContact CE1-OD1 3.42Å; Y652-D656 VanDerWaalsContact CE1-OD2 3.24Å; Y652-D656 WeakPolarHBondContact CE1-OD2 3.48Å; Y652-D656 PolarHBondContact O-N 2.88Å; Y652-Y671 HydrophobicContact CE2-CE1 4.48Å; Y652-L674 HydrophobicContact CD2-CD1 3.83Å; Y652-L674 HydrophobicContact CG-CD1 4.16Å; Y652-Y678 HydrophobicContact CD2-CE2 4.32Å; Y652-T690 HydrophobicContact CE2-CG2 4.48Å; Y652-T690 WeakPolarHBondContact CE2-OG1 3.27Å; Y652-K744 HydrophobicContact CE1-CD 4.1Å; Y652-K744 VanDerWaalsContact CE1-NZ 3.26Å
653D76.3Confident74Confident20 Ų2035.6 Ų35.611%0.10719%0.188CC..Hα-helixtrans-63.7-35.9176.7-76.4-29.5000112.9F529 K533 E649 I650 F657 K744F529-D653 HydrophobicContact CE1-CB 4.39Å; K533-D653 WeakPolarHBondContact CE-OD2 3.43Å; K533-D653 IonicContact NZ-OD1 3.75Å; K533-D653 PolarHBondContact NZ-OD1 2.72Å; K533-D653 IonicContact NZ-OD2 3.1Å; K533-D653 PolarHBondContact NZ-OD2 3.45Å; E649-D653 PolarHBondContact O-N 2.98Å; I650-D653 PolarHBondContact O-N 2.85Å; D653-F657 WeakPolarHBondContact O-CB 3.45Å; D653-F657 PolarHBondContact O-N 3.03Å; D653-K744 IonicContact OD1-NZ 3.78Å; D653-K744 PolarHBondContact OD1-NZ 3.29Å
654L79.3Confident74.7Confident1 Ų133.6 Ų33.61%0.00517%0.174CC..Hα-helixtrans-66.9-39.9173.8-178.263.4000111.7F627 T628 Q632 I635 I650 V651 Y652 F657 L658 L670F627-L654 HydrophobicContact CD1-CD1 4.34Å; F627-L654 HydrophobicContact CE1-CD1 4.41Å; T628-L654 HydrophobicContact CG2-CD1 3.76Å; Q632-L654 HydrophobicContact CG-CD2 4.13Å; I635-L654 HydrophobicContact CD1-CD2 4.11Å; I650-L654 VanDerWaalsContact O-CB 3.24Å; I650-L654 WeakPolarHBondContact O-CB 3.41Å; I650-L654 PolarHBondContact O-N 3.42Å; V651-L654 PolarHBondContact O-N 2.86Å; Y652-L654 VanDerWaalsContact C-N 3.3Å; Y652-L654 PolarHBondContact O-N 3.17Å; L654-F657 PolarHBondContact O-N 2.86Å; L654-L658 HydrophobicContact CG-CD1 4.27Å; L654-L658 WeakPolarHBondContact O-CG 3.36Å; L654-L658 PolarHBondContact O-N 3.08Å; L654-L670 HydrophobicContact CB-CD1 4.38Å; L654-L670 HydrophobicContact CD2-CD1 4.05Å; L654-L670 HydrophobicContact CG-CD1 3.92Å
655A81.5Confident75.2Confident0 Ų036 Ų360%018%0.18CC..Hα-helixtrans-63.7-45.8176.500000111.6V651 Y652 F657 L658 F659 L670 Y671V651-A655 WeakPolarHBondContact O-CB 3.27Å; V651-A655 PolarHBondContact O-N 3.32Å; Y652-A655 WeakPolarHBondContact O-CB 3.37Å; Y652-A655 PolarHBondContact O-N 3.03Å; A655-F657 VanDerWaalsContact C-N 3.31Å; A655-F657 PolarHBondContact O-N 2.89Å; A655-L658 PolarHBondContact O-N 3.2Å; A655-F659 WeakPolarHBondContact O-CB 3.24Å; A655-F659 PolarHBondContact O-N 3.47Å; A655-L670 HydrophobicContact CB-CB 3.75Å; A655-L670 HydrophobicContact CB-CD1 4.07Å; A655-Y671 HydrophobicContact CB-CD1 3.7Å; A655-Y671 HydrophobicContact CB-CD2 4.42Å; A655-Y671 HydrophobicContact CB-CE1 3.42Å; A655-Y671 VanDerWaalsContact CB-CE1 3.42Å; A655-Y671 HydrophobicContact CB-CE2 4.16Å; A655-Y671 HydrophobicContact CB-CG 4.21Å
656D78.3Confident75.6Confident15 Ų1532.4 Ų32.48%0.0817%0.173CC..Hα-helixtrans-60.8-41.8175.3-69.9-9.6000111.8Y652 F659 S660 Y671 K744Y652-D656 WeakPolarHBondContact CD1-OD2 3.49Å; Y652-D656 WeakPolarHBondContact CE1-OD1 3.42Å; Y652-D656 VanDerWaalsContact CE1-OD2 3.24Å; Y652-D656 WeakPolarHBondContact CE1-OD2 3.48Å; Y652-D656 PolarHBondContact O-N 2.88Å; D656-F659 WeakPolarHBondContact O-CB 3.38Å; D656-F659 PolarHBondContact O-N 2.62Å; D656-S660 PolarHBondContact O-N 3.41Å; D656-Y671 WeakPolarHBondContact CA-OH 3.37Å; D656-Y671 PolarHBondContact N-OH 3.3Å; D656-Y671 PolarHBondContact OD1-OH 3.29Å; D656-K744 WeakPolarHBondContact OD2-CD 3.29Å; D656-K744 WeakPolarHBondContact OD2-CE 3.38Å; D656-K744 IonicContact OD2-NZ 3.13Å; D656-K744 PolarHBondContact OD2-NZ 2.88Å
657F72.7Confident76.3Confident5 Ų527.7 Ų27.72%0.02216%0.155CC..Hα-helixtrans-61.2-49175.8176.1-102.1000111.3Y623 S624 F627 T628 D653 L654 A655 F659 S660 Q661Y623-F657 HydrophobicContact CD1-CE2 4.11Å; Y623-F657 AromaticContact CD1-CZ 3.87Å; Y623-F657 HydrophobicContact CD1-CZ 3.87Å; Y623-F657 AromaticContact CE1-CE2 3.54Å; Y623-F657 HydrophobicContact CE1-CE2 3.54Å; Y623-F657 AromaticContact CE1-CZ 3.67Å; Y623-F657 HydrophobicContact CE1-CZ 3.67Å; S624-F657 WeakPolarHBondContact OG-CE1 3.42Å; F627-F657 HydrophobicContact CB-CE1 4.37Å; F627-F657 HydrophobicContact CD1-CB 4.06Å; F627-F657 AromaticContact CD1-CD1 3.43Å; F627-F657 HydrophobicContact CD1-CD1 3.43Å; F627-F657 VanDerWaalsContact CD1-CD1 3.43Å; F627-F657 HydrophobicContact CD1-CD2 4.03Å; F627-F657 AromaticContact CD1-CE1 3.82Å; F627-F657 HydrophobicContact CD1-CE1 3.82Å; F627-F657 HydrophobicContact CD1-CE2 4.39Å; F627-F657 AromaticContact CD1-CG 3.53Å; F627-F657 HydrophobicContact CD1-CG 3.53Å; F627-F657 HydrophobicContact CD1-CZ 4.29Å; F627-F657 HydrophobicContact CE1-CB 3.63Å; F627-F657 AromaticContact CE1-CD1 3.94Å; F627-F657 HydrophobicContact CE1-CD1 3.94Å; F627-F657 HydrophobicContact CE1-CD2 4.15Å; F627-F657 AromaticContact CE1-CG 3.61Å; F627-F657 HydrophobicContact CE1-CG 3.61Å; F627-F657 HydrophobicContact CG-CD1 4.48Å; F627-F657 HydrophobicContact CG-CE1 4.49Å; T628-F657 HydrophobicContact CG2-CD1 4.28Å; T628-F657 HydrophobicContact CG2-CE1 4.19Å; D653-F657 WeakPolarHBondContact O-CB 3.45Å; D653-F657 PolarHBondContact O-N 3.03Å; L654-F657 PolarHBondContact O-N 2.86Å; A655-F657 VanDerWaalsContact C-N 3.31Å; A655-F657 PolarHBondContact O-N 2.89Å; F657-F659 VanDerWaalsContact C-N 3.31Å; F657-F659 PolarHBondContact O-N 3.41Å; F657-S660 WeakPolarHBondContact O-CB 3.32Å; F657-S660 PolarHBondContact O-N 3.46Å; F657-S660 VanDerWaalsContact O-N 3.09Å; F657-S660 PolarHBondContact O-OG 3.05Å; F657-Q661 HydrophobicContact CD1-CG 4.37Å; F657-Q661 HydrophobicContact CE1-CG 3.88Å; F657-Q661 HydrophobicContact CE2-CG 4.24Å; F657-Q661 HydrophobicContact CZ-CG 3.8Å; F657-Q661 WeakPolarHBondContact O-CG 3.34Å; F657-Q661 PolarHBondContact O-N 3.15Å; F657-Q661 VanDerWaalsContact O-N 3.1Å
658L74Confident76.8Confident22 Ų2228.3 Ų28.312%0.11516%0.159CC..Hα-helixtrans-63.5-36.2178.1-73.3169.8000112.6T628 L654 A655 S660 Q661 G662 A663 A667 L670T628-L658 HydrophobicContact CG2-CD2 3.77Å; T628-L658 HydrophobicContact CG2-CG 4.32Å; L654-L658 HydrophobicContact CG-CD1 4.27Å; L654-L658 WeakPolarHBondContact O-CG 3.36Å; L654-L658 PolarHBondContact O-N 3.08Å; A655-L658 PolarHBondContact O-N 3.2Å; L658-S660 VanDerWaalsContact C-N 3.33Å; L658-S660 PolarHBondContact O-N 2.72Å; L658-Q661 PolarHBondContact O-N 2.94Å; L658-G662 PolarHBondContact O-N 3.44Å; L658-A663 HydrophobicContact CB-CB 4.41Å; L658-A663 HydrophobicContact CD2-CB 4.17Å; L658-A663 PolarHBondContact O-N 3.16Å; L658-A667 HydrophobicContact CB-CB 4.12Å; L658-L670 HydrophobicContact CD1-CD1 3.6Å
659F74.1Confident77.1Confident11 Ų1134.8 Ų34.85%0.04818%0.183CC..Hα-helixtrans-59.2-44.7171.5-179.4-99.8000111.2A655 D656 F657 Q661 G662 H664 A667 W696 C697 I760A655-F659 WeakPolarHBondContact O-CB 3.24Å; A655-F659 PolarHBondContact O-N 3.47Å; D656-F659 WeakPolarHBondContact O-CB 3.38Å; D656-F659 PolarHBondContact O-N 2.62Å; F657-F659 VanDerWaalsContact C-N 3.31Å; F657-F659 PolarHBondContact O-N 3.41Å; F659-Q661 VanDerWaalsContact C-N 3.29Å; F659-Q661 PolarHBondContact O-N 3.21Å; F659-G662 PolarHBondContact O-N 3.36Å; F659-H664 AromaticContact CD2-ND1 3.7Å; F659-H664 AromaticContact CE2-ND1 3.8Å; F659-A667 HydrophobicContact CB-CB 4.15Å; F659-W696 HydrophobicContact CE2-CB 4.16Å; F659-W696 HydrophobicContact CZ-CB 4.12Å; F659-C697 WeakPolarHBondContact CD2-SG 3.26Å; F659-I760 HydrophobicContact CZ-CD1 4.41Å
660S67.4Low77.5Confident27 Ų2729.7 Ų29.719%0.18916%0.16CC..Hα-helixtrans-66-26.6177.677.60000114.5D656 F657 L658 G662 Y749D656-S660 PolarHBondContact O-N 3.41Å; F657-S660 WeakPolarHBondContact O-CB 3.32Å; F657-S660 PolarHBondContact O-N 3.46Å; F657-S660 VanDerWaalsContact O-N 3.09Å; F657-S660 PolarHBondContact O-OG 3.05Å; L658-S660 VanDerWaalsContact C-N 3.33Å; L658-S660 PolarHBondContact O-N 2.72Å; S660-G662 PolarHBondContact O-N 3.46Å; S660-Y749 WeakPolarHBondContact CA-OH 3.33Å
661Q66.7Low78.2Confident56 Ų5629.5 Ų29.526%0.26216%0.159SC..THydrogen-bonded Turntrans-78.9-4.4173.2-61.6-61-37.500113.1C543 F657 L658 F659 A663C543-Q661 PolarHBondContact SG-NE2 3.23Å; C543-Q661 PolarHBondContact SG-OE1 3.01Å; F657-Q661 HydrophobicContact CD1-CG 4.37Å; F657-Q661 HydrophobicContact CE1-CG 3.88Å; F657-Q661 HydrophobicContact CE2-CG 4.24Å; F657-Q661 HydrophobicContact CZ-CG 3.8Å; F657-Q661 WeakPolarHBondContact O-CG 3.34Å; F657-Q661 PolarHBondContact O-N 3.15Å; F657-Q661 VanDerWaalsContact O-N 3.1Å; L658-Q661 PolarHBondContact O-N 2.94Å; F659-Q661 VanDerWaalsContact C-N 3.29Å; F659-Q661 PolarHBondContact O-N 3.21Å; Q661-A663 VanDerWaalsContact C-N 3.27Å; Q661-A663 PolarHBondContact O-N 3.37Å
662G70Confident78.4Confident33 Ų3331.7 Ų31.734%0.3417%0.169SC..THydrogen-bonded Turntrans76.29.2-172.600000114.4L658 F659 S660 H664L658-G662 PolarHBondContact O-N 3.44Å; F659-G662 PolarHBondContact O-N 3.36Å; S660-G662 PolarHBondContact O-N 3.46Å; G662-H664 PolarHBondContact O-CD2 2.97Å; G662-H664 PolarHBondContact O-N 3.08Å
663A75.6Confident78.4Confident36 Ų3632.7 Ų32.730%0.29818%0.177SC..  trans-8259.817700000111.1L658 Q661 E665 S666 A667L658-A663 HydrophobicContact CB-CB 4.41Å; L658-A663 HydrophobicContact CD2-CB 4.17Å; L658-A663 PolarHBondContact O-N 3.16Å; Q661-A663 VanDerWaalsContact C-N 3.27Å; Q661-A663 PolarHBondContact O-N 3.37Å; A663-E665 VanDerWaalsContact C-N 3.31Å; A663-E665 PolarHBondContact O-N 3.44Å; A663-S666 PolarHBondContact O-N 3.12Å; A663-A667 PolarHBondContact O-N 2.95Å; A663-A667 VanDerWaalsContact O-N 3.1Å
664H80.4Confident78.8Confident6 Ų631.8 Ų31.83%0.02817%0.172CC..Hα-helixtrans-63.9-28.1-169-51.9-69.4000114.3F659 G662 S668 L701 K704F659-H664 AromaticContact CD2-ND1 3.7Å; F659-H664 AromaticContact CE2-ND1 3.8Å; G662-H664 PolarHBondContact O-CD2 2.97Å; G662-H664 PolarHBondContact O-N 3.08Å; H664-S668 WeakPolarHBondContact O-CB 3.25Å; H664-S668 PolarHBondContact O-N 3.25Å; H664-S668 PolarHBondContact O-OG 3.29Å; H664-L701 HydrophobicContact CB-CD1 4.18Å; H664-L701 HydrophobicContact CB-CD2 3.93Å; H664-L701 HydrophobicContact CB-CG 3.79Å; H664-K704 PolarHBondContact NE2-NZ 3.1Å
665E79.8Confident79Confident105 Ų10532.4 Ų32.449%0.49118%0.176SC..Hα-helixtrans-69.8-41.5177.2-62-173.6161.500112.2A663 S668 W669 L701 K705A663-E665 VanDerWaalsContact C-N 3.31Å; A663-E665 PolarHBondContact O-N 3.44Å; E665-S668 PolarHBondContact O-OG 2.98Å; E665-W669 PolarHBondContact O-N 3.36Å; E665-L701 HydrophobicContact CG-CD1 4.02Å; E665-L701 HydrophobicContact CG-CD2 3.51Å; E665-L701 HydrophobicContact CG-CG 4.44Å; E665-K705 VanDerWaalsContact OE1-CE 3.28Å; E665-K705 WeakPolarHBondContact OE1-CE 3.46Å; E665-K705 IonicContact OE1-NZ 3.64Å; E665-K705 PolarHBondContact OE1-NZ 3.19Å
666S77.9Confident78.8Confident64 Ų6437.2 Ų37.245%0.44820%0.202SC..Hα-helixtrans-71.7-37.8176.5-52.50000111.4A663 L670A663-S666 PolarHBondContact O-N 3.12Å; S666-L670 WeakPolarHBondContact O-CG 3.42Å; S666-L670 PolarHBondContact O-N 2.71Å
667A83.1Confident78.7Confident0 Ų038.7 Ų38.70%021%0.208CC..Hα-helixtrans-63.9-43.2175.300000111.9L658 F659 A663 W669 L670 Y671L658-A667 HydrophobicContact CB-CB 4.12Å; F659-A667 HydrophobicContact CB-CB 4.15Å; A663-A667 PolarHBondContact O-N 2.95Å; A663-A667 VanDerWaalsContact O-N 3.1Å; A667-W669 VanDerWaalsContact C-N 3.33Å; A667-W669 PolarHBondContact O-N 3.04Å; A667-L670 PolarHBondContact O-N 2.82Å; A667-Y671 HydrophobicContact CB-CD2 4.47Å; A667-Y671 HydrophobicContact CB-CE2 4.2Å; A667-Y671 WeakPolarHBondContact O-CD2 3.27Å; A667-Y671 PolarHBondContact O-N 2.69Å
668S86Confident79Confident13 Ų1338.9 Ų38.99%0.09121%0.208CC..Hα-helixtrans-61.7-40.7179.868.70000112.1H664 E665 L670 Y671 E672 L694H664-S668 WeakPolarHBondContact O-CB 3.25Å; H664-S668 PolarHBondContact O-N 3.25Å; H664-S668 PolarHBondContact O-OG 3.29Å; E665-S668 PolarHBondContact O-OG 2.98Å; S668-L670 PolarHBondContact O-N 3.13Å; S668-Y671 PolarHBondContact O-N 2.89Å; S668-E672 WeakPolarHBondContact O-CG 3.36Å; S668-E672 PolarHBondContact O-N 3.45Å; S668-L694 WeakPolarHBondContact O-CD1 3.42Å
669W84.5Confident78.9Confident171 Ų17141.4 Ų41.465%0.64822%0.222SC*.Hα-helixtrans-61.8-43.5175.9-177.880.8000112.8E665 A667 E672 S673E665-W669 PolarHBondContact O-N 3.36Å; A667-W669 VanDerWaalsContact C-N 3.33Å; A667-W669 PolarHBondContact O-N 3.04Å; W669-E672 PolarHBondContact O-N 3.33Å; W669-S673 PolarHBondContact O-N 3.23Å
670L84.5Confident78.6Confident16 Ų1648.4 Ų48.48%0.08426%0.255CS..Hα-helixtrans-66-40.5177.6-67173.5000112V651 L654 A655 L658 S666 A667 S668 S673 L674V651-L670 HydrophobicContact CG1-CB 4.18Å; V651-L670 HydrophobicContact CG1-CD2 4.06Å; L654-L670 HydrophobicContact CB-CD1 4.38Å; L654-L670 HydrophobicContact CD2-CD1 4.05Å; L654-L670 HydrophobicContact CG-CD1 3.92Å; A655-L670 HydrophobicContact CB-CB 3.75Å; A655-L670 HydrophobicContact CB-CD1 4.07Å; L658-L670 HydrophobicContact CD1-CD1 3.6Å; S666-L670 WeakPolarHBondContact O-CG 3.42Å; S666-L670 PolarHBondContact O-N 2.71Å; A667-L670 PolarHBondContact O-N 2.82Å; S668-L670 PolarHBondContact O-N 3.13Å; L670-S673 PolarHBondContact O-N 3.19Å; L670-L674 WeakPolarHBondContact O-CG 3.44Å; L670-L674 PolarHBondContact O-N 3.11Å
671Y88.4Confident78.7Confident2 Ų249.9 Ų49.91%0.00827%0.265CS..Hα-helixtrans-66.4-41.5175.6-70.5-46.7000112.5Y652 A655 D656 A667 S668 S673 L674 I675 T690 C693Y652-Y671 HydrophobicContact CE2-CE1 4.48Å; A655-Y671 HydrophobicContact CB-CD1 3.7Å; A655-Y671 HydrophobicContact CB-CD2 4.42Å; A655-Y671 HydrophobicContact CB-CE1 3.42Å; A655-Y671 VanDerWaalsContact CB-CE1 3.42Å; A655-Y671 HydrophobicContact CB-CE2 4.16Å; A655-Y671 HydrophobicContact CB-CG 4.21Å; D656-Y671 WeakPolarHBondContact CA-OH 3.37Å; D656-Y671 PolarHBondContact N-OH 3.3Å; D656-Y671 PolarHBondContact OD1-OH 3.29Å; A667-Y671 HydrophobicContact CB-CD2 4.47Å; A667-Y671 HydrophobicContact CB-CE2 4.2Å; A667-Y671 WeakPolarHBondContact O-CD2 3.27Å; A667-Y671 PolarHBondContact O-N 2.69Å; S668-Y671 PolarHBondContact O-N 2.89Å; Y671-S673 VanDerWaalsContact C-N 3.33Å; Y671-S673 PolarHBondContact O-N 3.42Å; Y671-L674 HydrophobicContact CD1-CD1 4.45Å; Y671-L674 PolarHBondContact O-N 3.11Å; Y671-I675 WeakPolarHBondContact O-CG1 3.4Å; Y671-I675 PolarHBondContact O-N 2.97Å; Y671-T690 HydrophobicContact CD1-CG2 3.65Å; Y671-T690 HydrophobicContact CG-CG2 4.1Å; Y671-C693 HydrophobicContact CD1-CB 4.45Å; Y671-C693 HydrophobicContact CD2-CB 4.28Å; Y671-C693 HydrophobicContact CE1-CB 3.96Å; Y671-C693 HydrophobicContact CE2-CB 3.8Å
672E86.1Confident78.9Confident52 Ų5251.8 Ų51.824%0.24329%0.285CS..Hα-helixtrans-59.2-45.3173.2-79.6-172.5173.600111.2S668 W669 L674 I675 N676 L694 F698 K718S668-E672 WeakPolarHBondContact O-CG 3.36Å; S668-E672 PolarHBondContact O-N 3.45Å; W669-E672 PolarHBondContact O-N 3.33Å; E672-L674 VanDerWaalsContact C-N 3.34Å; E672-L674 PolarHBondContact O-N 3.19Å; E672-I675 PolarHBondContact O-N 2.92Å; E672-N676 PolarHBondContact O-N 2.7Å; E672-N676 PolarHBondContact O-ND2 3.35Å; E672-L694 HydrophobicContact CG-CD1 4.19Å; E672-L694 HydrophobicContact CG-CD2 3.77Å; E672-F698 WeakPolarHBondContact OE1-CZ 3.42Å; E672-K718 WeakPolarHBondContact OE1-CD 3.42Å; E672-K718 WeakPolarHBondContact OE1-CE 2.94Å; E672-K718 IonicContact OE1-NZ 2.79Å; E672-K718 PolarHBondContact OE1-NZ 2.95Å; E672-K718 IonicContact OE2-NZ 3.46Å; E672-K718 PolarHBondContact OE2-NZ 2.65Å; E672-K718 VanDerWaalsContact OE2-NZ 3.13Å
673S80.8Confident79Confident31 Ų3154.9 Ų54.922%0.21729%0.286CS..Hα-helixtrans-57.3-48.2174.5175.50000110.7W669 L670 Y671 I675 N676 H677W669-S673 PolarHBondContact O-N 3.23Å; L670-S673 PolarHBondContact O-N 3.19Å; Y671-S673 VanDerWaalsContact C-N 3.33Å; Y671-S673 PolarHBondContact O-N 3.42Å; S673-I675 PolarHBondContact O-N 3.38Å; S673-N676 PolarHBondContact O-N 3.05Å; S673-H677 PolarHBondContact O-CE1 2.91Å; S673-H677 PolarHBondContact O-N 2.97Å; S673-H677 PolarHBondContact O-ND1 3.4Å; S673-H677 PolarHBondContact OG-CE1 3.27Å
674L83.3Confident78.9Confident1 Ų158.5 Ų58.51%0.00530%0.299CS..Hα-helixtrans-62.4-40.3179.5-78.2166.9000113.9Y648 V651 Y652 L670 Y671 E672 N676 H677 Y678 T690Y648-L674 HydrophobicContact CD1-CD2 4.2Å; Y648-L674 HydrophobicContact CG-CD2 4.36Å; V651-L674 HydrophobicContact CB-CD1 4.26Å; V651-L674 HydrophobicContact CB-CD2 3.98Å; V651-L674 HydrophobicContact CB-CG 4.21Å; V651-L674 HydrophobicContact CG1-CD1 3.69Å; V651-L674 HydrophobicContact CG1-CD2 3.89Å; V651-L674 HydrophobicContact CG1-CG 3.58Å; Y652-L674 HydrophobicContact CD2-CD1 3.83Å; Y652-L674 HydrophobicContact CG-CD1 4.16Å; L670-L674 WeakPolarHBondContact O-CG 3.44Å; L670-L674 PolarHBondContact O-N 3.11Å; Y671-L674 HydrophobicContact CD1-CD1 4.45Å; Y671-L674 PolarHBondContact O-N 3.11Å; E672-L674 VanDerWaalsContact C-N 3.34Å; E672-L674 PolarHBondContact O-N 3.19Å; L674-N676 VanDerWaalsContact C-N 3.3Å; L674-N676 PolarHBondContact O-N 2.95Å; L674-H677 PolarHBondContact O-N 3.43Å; L674-Y678 HydrophobicContact CB-CD2 4.35Å; L674-Y678 HydrophobicContact CB-CE2 4.12Å; L674-Y678 HydrophobicContact CD2-CE1 4.41Å; L674-Y678 HydrophobicContact CD2-CE2 4.2Å; L674-Y678 WeakPolarHBondContact O-CB 3.47Å; L674-Y678 WeakPolarHBondContact O-CD2 3.36Å; L674-Y678 PolarHBondContact O-N 3.49Å; L674-T690 HydrophobicContact CB-CG2 4.19Å
675I83.3Confident78.6Confident15 Ų1559.9 Ų59.98%0.07732%0.316CS..Hα-helixtrans-57.8-45.5177.9-72.5163.2000110.2Y671 E672 S673 H677 Y678 D679 V687 T690 R691 L694Y671-I675 WeakPolarHBondContact O-CG1 3.4Å; Y671-I675 PolarHBondContact O-N 2.97Å; E672-I675 PolarHBondContact O-N 2.92Å; S673-I675 PolarHBondContact O-N 3.38Å; I675-H677 VanDerWaalsContact C-N 3.33Å; I675-H677 PolarHBondContact O-N 3.38Å; I675-Y678 PolarHBondContact O-N 2.89Å; I675-D679 WeakPolarHBondContact CG2-OD2 2.97Å; I675-D679 VanDerWaalsContact O-CB 3.27Å; I675-D679 WeakPolarHBondContact O-CB 2.94Å; I675-D679 PolarHBondContact O-N 3.42Å; I675-V687 HydrophobicContact CG2-CG1 4.35Å; I675-T690 HydrophobicContact CD1-CG2 4.07Å; I675-T690 HydrophobicContact CG1-CG2 3.64Å; I675-R691 HydrophobicContact CD1-CG 3.69Å; I675-R691 HydrophobicContact CG1-CG 4.26Å; I675-L694 HydrophobicContact CD1-CB 4.47Å; I675-L694 HydrophobicContact CD1-CD2 3.57Å
676N78.8Confident78.6Confident101 Ų10157.5 Ų57.554%0.5431%0.306SS..Hα-helixtrans-58.9-43.7179-65.9-23.6000111.9E672 S673 L674 E680E672-N676 PolarHBondContact O-N 2.7Å; E672-N676 PolarHBondContact O-ND2 3.35Å; S673-N676 PolarHBondContact O-N 3.05Å; L674-N676 VanDerWaalsContact C-N 3.3Å; L674-N676 PolarHBondContact O-N 2.95Å; N676-E680 WeakPolarHBondContact O-CG 3.49Å; N676-E680 PolarHBondContact O-N 3.31Å; N676-E680 VanDerWaalsContact O-N 3.11Å
677H76.2Confident78.8Confident46 Ų4654.6 Ų54.621%0.21329%0.285CS..Hα-helixtrans-73-36.6179.8-61.191.7000112.9Y648 S673 L674 I675 S681Y648-H677 HydrophobicContact CD1-CB 4.36Å; Y648-H677 HydrophobicContact CE1-CB 3.82Å; Y648-H677 AromaticContact CE1-CD2 3.49Å; Y648-H677 VanDerWaalsContact CE1-CD2 3.49Å; Y648-H677 WeakPolarHBondContact CE1-CD2 3.47Å; Y648-H677 AromaticContact CE1-CG 3.5Å; Y648-H677 VanDerWaalsContact CE1-CG 3.5Å; Y648-H677 AromaticContact CE1-ND1 3.99Å; Y648-H677 AromaticContact CE1-NE2 3.95Å; Y648-H677 HydrophobicContact CE2-CB 4.21Å; Y648-H677 AromaticContact CZ-CD2 3.49Å; Y648-H677 VanDerWaalsContact CZ-CD2 3.49Å; Y648-H677 AromaticContact CZ-CG 3.71Å; Y648-H677 PolarHBondContact OH-CD2 2.84Å; S673-H677 PolarHBondContact O-CE1 2.91Å; S673-H677 PolarHBondContact O-N 2.97Å; S673-H677 PolarHBondContact O-ND1 3.4Å; S673-H677 PolarHBondContact OG-CE1 3.27Å; L674-H677 PolarHBondContact O-N 3.43Å; I675-H677 VanDerWaalsContact C-N 3.33Å; I675-H677 PolarHBondContact O-N 3.38Å; H677-S681 WeakPolarHBondContact O-CB 3.22Å; H677-S681 PolarHBondContact O-N 3.43Å; H677-S681 VanDerWaalsContact O-N 3.12Å; H677-S681 PolarHBondContact O-OG 2.94Å
678Y77.5Confident78.8Confident9 Ų954.8 Ų54.84%0.03529%0.286CS..Hα-helixtrans-72.4-34.6176.7-67.9-24.9000112.4Y652 L674 I675 S681 S682 W683 L686 V687Y652-Y678 HydrophobicContact CD2-CE2 4.32Å; L674-Y678 HydrophobicContact CB-CD2 4.35Å; L674-Y678 HydrophobicContact CB-CE2 4.12Å; L674-Y678 HydrophobicContact CD2-CE1 4.41Å; L674-Y678 HydrophobicContact CD2-CE2 4.2Å; L674-Y678 WeakPolarHBondContact O-CB 3.47Å; L674-Y678 WeakPolarHBondContact O-CD2 3.36Å; L674-Y678 PolarHBondContact O-N 3.49Å; I675-Y678 PolarHBondContact O-N 2.89Å; Y678-S681 CarbonylContact O-C 3.58Å; Y678-S681 PolarHBondContact O-N 3.29Å; Y678-S682 PolarHBondContact O-N 3.09Å; Y678-W683 AromaticContact CD1-CE3 3.62Å; Y678-W683 HydrophobicContact CD1-CE3 3.62Å; Y678-W683 HydrophobicContact CD1-CZ3 4.18Å; Y678-W683 AromaticContact CE1-CE3 3.74Å; Y678-W683 HydrophobicContact CE1-CE3 3.74Å; Y678-W683 AromaticContact CE1-CZ3 3.9Å; Y678-W683 HydrophobicContact CE1-CZ3 3.9Å; Y678-W683 PolarHBondContact O-N 2.87Å; Y678-L686 HydrophobicContact CD2-CB 3.87Å; Y678-L686 HydrophobicContact CE2-CB 3.97Å; Y678-L686 HydrophobicContact CG-CB 4.3Å; Y678-V687 VanDerWaalsContact CB-CG2 3.48Å
679D72.5Confident78.8Confident74 Ų7454.2 Ų54.240%0.39628%0.282SS..Hα-helixtrans-65.4-43.5173.1-85.5-32.1000110.4I675 S681 S682 V687 R691I675-D679 WeakPolarHBondContact CG2-OD2 2.97Å; I675-D679 VanDerWaalsContact O-CB 3.27Å; I675-D679 WeakPolarHBondContact O-CB 2.94Å; I675-D679 PolarHBondContact O-N 3.42Å; D679-S681 VanDerWaalsContact C-N 3.25Å; D679-S681 PolarHBondContact O-N 3.44Å; D679-S682 PolarHBondContact O-N 3.45Å; D679-S682 VanDerWaalsContact O-N 3.14Å; D679-V687 WeakPolarHBondContact OD1-CG1 3.44Å; D679-V687 WeakPolarHBondContact OD1-CG2 3.28Å; D679-R691 IonicContact OD1-NH2 3.94Å; D679-R691 PolarHBondContact OD1-NH2 3.12Å; D679-R691 IonicContact OD2-NH2 2.75Å; D679-R691 PolarHBondContact OD2-NH2 2.91Å
680E68.9Low78.8Confident158 Ų15846 Ų4674%0.73825%0.251SS*.Hα-helixtrans-58.8-36171.9-76.3178.2-179.700112.6N676 S682N676-E680 WeakPolarHBondContact O-CG 3.49Å; N676-E680 PolarHBondContact O-N 3.31Å; N676-E680 VanDerWaalsContact O-N 3.11Å; E680-S682 VanDerWaalsContact C-N 3.35Å
681S69Low79Confident58 Ų5847.6 Ų47.641%0.40626%0.256SS..THydrogen-bonded Turntrans-86.7-0.1179.7-56.50000114.1H677 Y678 D679 W683H677-S681 WeakPolarHBondContact O-CB 3.22Å; H677-S681 PolarHBondContact O-N 3.43Å; H677-S681 VanDerWaalsContact O-N 3.12Å; H677-S681 PolarHBondContact O-OG 2.94Å; Y678-S681 CarbonylContact O-C 3.58Å; Y678-S681 PolarHBondContact O-N 3.29Å; D679-S681 VanDerWaalsContact C-N 3.25Å; D679-S681 PolarHBondContact O-N 3.44Å; S681-W683 VanDerWaalsContact C-N 3.32Å; S681-W683 PolarHBondContact O-N 3.12Å
682S70.5Confident78.9Confident96 Ų9647.5 Ų47.567%0.67126%0.256SS*.THydrogen-bonded Turntrans59.131.9-177-58.80000115.3Y678 D679 E680 I684Y678-S682 PolarHBondContact O-N 3.09Å; D679-S682 PolarHBondContact O-N 3.45Å; D679-S682 VanDerWaalsContact O-N 3.14Å; E680-S682 VanDerWaalsContact C-N 3.35Å; S682-I684 PolarHBondContact O-N 3.42Å; S682-I684 VanDerWaalsContact O-N 3.16Å
683W71.2Confident78.9Confident98 Ų9845.3 Ų45.337%0.37125%0.246SC..  trans-89.367.8-178.8-71.53000112.9K645 Y678 S681 G685 L686 V687K645-W683 HydrophobicContact CD-CH2 4.49Å; Y678-W683 AromaticContact CD1-CE3 3.62Å; Y678-W683 HydrophobicContact CD1-CE3 3.62Å; Y678-W683 HydrophobicContact CD1-CZ3 4.18Å; Y678-W683 AromaticContact CE1-CE3 3.74Å; Y678-W683 HydrophobicContact CE1-CE3 3.74Å; Y678-W683 AromaticContact CE1-CZ3 3.9Å; Y678-W683 HydrophobicContact CE1-CZ3 3.9Å; Y678-W683 PolarHBondContact O-N 2.87Å; S681-W683 VanDerWaalsContact C-N 3.32Å; S681-W683 PolarHBondContact O-N 3.12Å; W683-G685 VanDerWaalsContact C-N 3.31Å; W683-G685 PolarHBondContact O-N 3.15Å; W683-G685 VanDerWaalsContact O-N 3.13Å; W683-L686 HydrophobicContact CB-CB 4.31Å; W683-L686 HydrophobicContact CB-CD1 4.35Å; W683-L686 HydrophobicContact CD2-CD1 4.07Å; W683-L686 HydrophobicContact CE3-CD1 3.32Å; W683-L686 HydrophobicContact CZ3-CD1 3.87Å; W683-L686 PolarHBondContact O-N 3.16Å; W683-V687 WeakPolarHBondContact O-CG2 3.49Å; W683-V687 PolarHBondContact O-N 3.28Å
684I74.6Confident79.2Confident112 Ų11244 Ų4457%0.57424%0.237SC*.Hα-helixtrans-50.6-44.5-170-59.5164.9000113.3S682 L686 V687 T688 I733S682-I684 PolarHBondContact O-N 3.42Å; S682-I684 VanDerWaalsContact O-N 3.16Å; I684-L686 PolarHBondContact O-N 3.47Å; I684-V687 PolarHBondContact O-N 3.1Å; I684-T688 PolarHBondContact O-N 2.98Å; I684-T688 PolarHBondContact O-OG1 3.37Å; I684-I733 HydrophobicContact CG2-CD1 4.24Å; I684-I733 HydrophobicContact CG2-CG2 4.22Å
685G74.7Confident79.4Confident36 Ų3644 Ų4437%0.37124%0.237SC..Hα-helixtrans-64.6-38.8-17900000113.9W683 S689W683-G685 VanDerWaalsContact C-N 3.31Å; W683-G685 PolarHBondContact O-N 3.15Å; W683-G685 VanDerWaalsContact O-N 3.13Å; G685-S689 PolarHBondContact O-N 3.33Å; G685-S689 PolarHBondContact O-OG 2.97Å
686L78.3Confident79.4Confident55 Ų5543.6 Ų43.629%0.28823%0.234SC..Hα-helixtrans-75.2-35.2176.9-71.3170000111.5Y678 W683 I684 S689 T690Y678-L686 HydrophobicContact CD2-CB 3.87Å; Y678-L686 HydrophobicContact CE2-CB 3.97Å; Y678-L686 HydrophobicContact CG-CB 4.3Å; W683-L686 HydrophobicContact CB-CB 4.31Å; W683-L686 HydrophobicContact CB-CD1 4.35Å; W683-L686 HydrophobicContact CD2-CD1 4.07Å; W683-L686 HydrophobicContact CE3-CD1 3.32Å; W683-L686 HydrophobicContact CZ3-CD1 3.87Å; W683-L686 PolarHBondContact O-N 3.16Å; I684-L686 PolarHBondContact O-N 3.47Å; L686-S689 WeakPolarHBondContact CA-OG 3.46Å; L686-S689 PolarHBondContact O-N 2.95Å; L686-S689 PolarHBondContact O-OG 3.2Å; L686-T690 VanDerWaalsContact O-CB 3.3Å; L686-T690 WeakPolarHBondContact O-CB 3.46Å; L686-T690 PolarHBondContact O-N 2.84Å; L686-T690 PolarHBondContact O-OG1 3.33Å
687V82.8Confident79.6Confident3 Ų338.8 Ų38.82%0.01821%0.208CC..Hα-helixtrans-59.2-49.4171.2173.80000110.2I675 Y678 D679 W683 I684 T690 R691I675-V687 HydrophobicContact CG2-CG1 4.35Å; Y678-V687 VanDerWaalsContact CB-CG2 3.48Å; D679-V687 WeakPolarHBondContact OD1-CG1 3.44Å; D679-V687 WeakPolarHBondContact OD1-CG2 3.28Å; W683-V687 WeakPolarHBondContact O-CG2 3.49Å; W683-V687 PolarHBondContact O-N 3.28Å; I684-V687 PolarHBondContact O-N 3.1Å; V687-T690 PolarHBondContact O-N 3.31Å; V687-R691 HydrophobicContact CG1-CG 4.4Å; V687-R691 WeakPolarHBondContact O-CB 3.49Å; V687-R691 WeakPolarHBondContact O-CG 3.39Å; V687-R691 PolarHBondContact O-N 3Å
688T83Confident79.9Confident3 Ų336.8 Ų36.82%0.01820%0.199CC..Hα-helixtrans-65-42.3-179.4-53.50000111.9I684 T690 R691 I692 L726 I733 L734 A737I684-T688 PolarHBondContact O-N 2.98Å; I684-T688 PolarHBondContact O-OG1 3.37Å; T688-T690 VanDerWaalsContact C-N 3.32Å; T688-T690 PolarHBondContact O-N 2.93Å; T688-R691 PolarHBondContact O-N 3.47Å; T688-I692 HydrophobicContact CG2-CD1 4.47Å; T688-I692 WeakPolarHBondContact O-CG1 3.38Å; T688-I692 PolarHBondContact O-N 3.39Å; T688-L726 HydrophobicContact CG2-CD2 4.25Å; T688-I733 HydrophobicContact CG2-CG2 4.28Å; T688-L734 HydrophobicContact CG2-CD2 3.84Å; T688-A737 HydrophobicContact CG2-CB 3.72Å
689S85.6Confident80.1Confident1 Ų137.8 Ų37.81%0.00720%0.204CC..Hα-helixtrans-63.7-39.2176.668.10000112.1G685 L686 I692 C693G685-S689 PolarHBondContact O-N 3.33Å; G685-S689 PolarHBondContact O-OG 2.97Å; L686-S689 WeakPolarHBondContact CA-OG 3.46Å; L686-S689 PolarHBondContact O-N 2.95Å; L686-S689 PolarHBondContact O-OG 3.2Å; S689-I692 PolarHBondContact O-N 3.49Å; S689-C693 PolarHBondContact O-N 3.24Å; S689-C693 PolarHBondContact O-SG 2.95Å
690T85.5Confident80.3Confident0 Ų034.6 Ų34.60%019%0.188CC..Hα-helixtrans-66.9-39.3175.4-48.90000111.4Y652 Y671 L674 I675 L686 V687 T688 C693 L694Y652-T690 HydrophobicContact CE2-CG2 4.48Å; Y652-T690 WeakPolarHBondContact CE2-OG1 3.27Å; Y671-T690 HydrophobicContact CD1-CG2 3.65Å; Y671-T690 HydrophobicContact CG-CG2 4.1Å; L674-T690 HydrophobicContact CB-CG2 4.19Å; I675-T690 HydrophobicContact CD1-CG2 4.07Å; I675-T690 HydrophobicContact CG1-CG2 3.64Å; L686-T690 VanDerWaalsContact O-CB 3.3Å; L686-T690 WeakPolarHBondContact O-CB 3.46Å; L686-T690 PolarHBondContact O-N 2.84Å; L686-T690 PolarHBondContact O-OG1 3.33Å; V687-T690 PolarHBondContact O-N 3.31Å; T688-T690 VanDerWaalsContact C-N 3.32Å; T688-T690 PolarHBondContact O-N 2.93Å; T690-C693 PolarHBondContact O-N 3.41Å; T690-L694 WeakPolarHBondContact O-CB 3.42Å; T690-L694 PolarHBondContact O-N 3.48Å
691R87.8Confident80.8Confident49 Ų4927.7 Ų27.719%0.18516%0.156CC..Hα-helixtrans-64.2-37.3175.1-76.3178.8-174.2161.98.6112.6I675 D679 V687 T688 L694 A695 I722 L726I675-R691 HydrophobicContact CD1-CG 3.69Å; I675-R691 HydrophobicContact CG1-CG 4.26Å; D679-R691 IonicContact OD1-NH2 3.94Å; D679-R691 PolarHBondContact OD1-NH2 3.12Å; D679-R691 IonicContact OD2-NH2 2.75Å; D679-R691 PolarHBondContact OD2-NH2 2.91Å; V687-R691 HydrophobicContact CG1-CG 4.4Å; V687-R691 WeakPolarHBondContact O-CB 3.49Å; V687-R691 WeakPolarHBondContact O-CG 3.39Å; V687-R691 PolarHBondContact O-N 3Å; T688-R691 PolarHBondContact O-N 3.47Å; R691-L694 PolarHBondContact O-N 3.35Å; R691-A695 WeakPolarHBondContact O-CB 3.48Å; R691-A695 PolarHBondContact O-N 2.8Å; R691-I722 HydrophobicContact CB-CG2 4.47Å; R691-L726 HydrophobicContact CB-CD2 4.07Å
692I86.1Confident81.1Confident0 Ų025.3 Ų25.30%014%0.139CC..Hα-helixtrans-62.1-47.6173.4-68.2168.7000110.2T688 S689 L694 A695 W696 L726 L734 A737 V741T688-I692 HydrophobicContact CG2-CD1 4.47Å; T688-I692 WeakPolarHBondContact O-CG1 3.38Å; T688-I692 PolarHBondContact O-N 3.39Å; S689-I692 PolarHBondContact O-N 3.49Å; I692-L694 VanDerWaalsContact C-N 3.34Å; I692-L694 PolarHBondContact O-N 3.39Å; I692-A695 WeakPolarHBondContact O-CB 3.49Å; I692-A695 PolarHBondContact O-N 3.14Å; I692-W696 HydrophobicContact CG2-CD2 4.17Å; I692-W696 HydrophobicContact CG2-CH2 3.91Å; I692-W696 HydrophobicContact CG2-CZ2 3.47Å; I692-W696 VanDerWaalsContact CG2-CZ2 3.47Å; I692-W696 HydrophobicContact CG2-CZ3 4.35Å; I692-W696 PolarHBondContact O-N 3.31Å; I692-W696 VanDerWaalsContact O-N 3.15Å; I692-L726 HydrophobicContact CG1-CD1 4.44Å; I692-L726 HydrophobicContact CG1-CD2 4.06Å; I692-L734 HydrophobicContact CD1-CD2 4.36Å; I692-A737 HydrophobicContact CD1-CB 3.84Å; I692-V741 HydrophobicContact CG2-CG1 4.5Å
693C86.4Confident81.2Confident6 Ų625.1 Ų25.14%0.04113%0.134CC..Hα-helixtrans-63.5-40.2178-59.40000112.1Y671 S689 T690 W696 C697Y671-C693 HydrophobicContact CD1-CB 4.45Å; Y671-C693 HydrophobicContact CD2-CB 4.28Å; Y671-C693 HydrophobicContact CE1-CB 3.96Å; Y671-C693 HydrophobicContact CE2-CB 3.8Å; S689-C693 PolarHBondContact O-N 3.24Å; S689-C693 PolarHBondContact O-SG 2.95Å; T690-C693 PolarHBondContact O-N 3.41Å; C693-W696 PolarHBondContact O-N 3.1Å; C693-C697 PolarHBondContact O-N 2.99Å; C693-C697 PolarHBondContact O-SG 3.04Å
694L87.7Confident81Confident4 Ų427.1 Ų27.12%0.02115%0.145CC..Hα-helixtrans-65.4-40.5176.5-176.960.6000112.1S668 E672 I675 T690 R691 I692 W696 C697 F698 I722S668-L694 WeakPolarHBondContact O-CD1 3.42Å; E672-L694 HydrophobicContact CG-CD1 4.19Å; E672-L694 HydrophobicContact CG-CD2 3.77Å; I675-L694 HydrophobicContact CD1-CB 4.47Å; I675-L694 HydrophobicContact CD1-CD2 3.57Å; T690-L694 WeakPolarHBondContact O-CB 3.42Å; T690-L694 PolarHBondContact O-N 3.48Å; R691-L694 PolarHBondContact O-N 3.35Å; I692-L694 VanDerWaalsContact C-N 3.34Å; I692-L694 PolarHBondContact O-N 3.39Å; L694-W696 VanDerWaalsContact C-N 3.28Å; L694-W696 PolarHBondContact O-N 3.25Å; L694-C697 WeakPolarHBondContact O-CB 3.42Å; L694-C697 PolarHBondContact O-N 3.36Å; L694-F698 HydrophobicContact CD1-CD2 4.06Å; L694-F698 HydrophobicContact CD1-CE1 4.43Å; L694-F698 HydrophobicContact CD1-CE2 3.51Å; L694-F698 HydrophobicContact CD1-CZ 3.72Å; L694-F698 HydrophobicContact CD2-CE2 3.95Å; L694-F698 HydrophobicContact CG-CD2 3.93Å; L694-F698 HydrophobicContact CG-CE2 3.54Å; L694-F698 HydrophobicContact CG-CZ 4.26Å; L694-F698 WeakPolarHBondContact O-CD2 3.48Å; L694-F698 PolarHBondContact O-N 3.43Å; L694-I722 HydrophobicContact CD2-CD1 3.47Å; L694-I722 VanDerWaalsContact CD2-CD1 3.47Å; L694-I722 HydrophobicContact CG-CD1 3.7Å
695A86.1Confident80.5Confident0 Ų024.8 Ų24.80%013%0.131CC..Hα-helixtrans-58-43174.400000110.9R691 I692 F698 H699 Y719 I722 L726 W772R691-A695 WeakPolarHBondContact O-CB 3.48Å; R691-A695 PolarHBondContact O-N 2.8Å; I692-A695 WeakPolarHBondContact O-CB 3.49Å; I692-A695 PolarHBondContact O-N 3.14Å; A695-F698 PolarHBondContact O-N 2.99Å; A695-H699 WeakPolarHBondContact O-CB 3.41Å; A695-H699 PolarHBondContact O-N 3.38Å; A695-Y719 HydrophobicContact CB-CE2 4.47Å; A695-Y719 WeakPolarHBondContact O-CE2 3.39Å; A695-I722 HydrophobicContact CB-CG2 3.88Å; A695-L726 HydrophobicContact CB-CD1 4.07Å; A695-W772 HydrophobicContact CB-CH2 4.07Å; A695-W772 HydrophobicContact CB-CZ3 3.94Å
696W83.7Confident79.8Confident6 Ų630.7 Ų30.72%0.02315%0.148CC..Hα-helixtrans-67.8-35.6177-59.4-18.1000113.5F659 I692 C693 L694 S700 V741 Y742 I745 I760 W772F659-W696 HydrophobicContact CE2-CB 4.16Å; F659-W696 HydrophobicContact CZ-CB 4.12Å; I692-W696 HydrophobicContact CG2-CD2 4.17Å; I692-W696 HydrophobicContact CG2-CH2 3.91Å; I692-W696 HydrophobicContact CG2-CZ2 3.47Å; I692-W696 VanDerWaalsContact CG2-CZ2 3.47Å; I692-W696 HydrophobicContact CG2-CZ3 4.35Å; I692-W696 PolarHBondContact O-N 3.31Å; I692-W696 VanDerWaalsContact O-N 3.15Å; C693-W696 PolarHBondContact O-N 3.1Å; L694-W696 VanDerWaalsContact C-N 3.28Å; L694-W696 PolarHBondContact O-N 3.25Å; W696-S700 WeakPolarHBondContact O-CB 3.34Å; W696-S700 PolarHBondContact O-N 3.45Å; W696-S700 PolarHBondContact O-OG 2.82Å; W696-V741 HydrophobicContact CE3-CG1 4.28Å; W696-V741 HydrophobicContact CH2-CB 4.42Å; W696-V741 HydrophobicContact CH2-CG1 3.34Å; W696-V741 HydrophobicContact CZ2-CG1 4.47Å; W696-V741 HydrophobicContact CZ3-CG1 3.18Å; W696-Y742 HydrophobicContact CH2-CD2 4.32Å; W696-Y742 AromaticContact CH2-CE2 3.89Å; W696-Y742 HydrophobicContact CH2-CE2 3.89Å; W696-Y742 AromaticContact CZ2-CE2 3.98Å; W696-Y742 HydrophobicContact CZ2-CE2 3.98Å; W696-I745 HydrophobicContact CE3-CD1 4.14Å; W696-I745 HydrophobicContact CH2-CD1 3.71Å; W696-I745 HydrophobicContact CZ3-CD1 3.2Å; W696-I745 HydrophobicContact CZ3-CG1 4.45Å; W696-I760 HydrophobicContact CD2-CG2 3.93Å; W696-I760 HydrophobicContact CE3-CD1 4.45Å; W696-I760 HydrophobicContact CE3-CG2 4.32Å; W696-I760 HydrophobicContact CG-CG2 4.49Å; W696-I760 HydrophobicContact CH2-CG2 3.97Å; W696-I760 HydrophobicContact CZ2-CG2 3.56Å; W696-I760 HydrophobicContact CZ3-CG2 4.37Å; W696-W772 AromaticContact NE1-CH2 3.9Å
697C83.1Confident79Confident0 Ų030.2 Ų30.20%014%0.144CC..Hα-helixtrans-59.6-49.2172.2-66.20000110.8F659 C693 L694 S700 L701F659-C697 WeakPolarHBondContact CD2-SG 3.26Å; C693-C697 PolarHBondContact O-N 2.99Å; C693-C697 PolarHBondContact O-SG 3.04Å; L694-C697 WeakPolarHBondContact O-CB 3.42Å; L694-C697 PolarHBondContact O-N 3.36Å; C697-S700 PolarHBondContact O-N 2.92Å; C697-L701 WeakPolarHBondContact O-CG 3.44Å; C697-L701 PolarHBondContact O-N 3.5Å
698F83.6Confident77.8Confident4 Ų437.6 Ų37.62%0.01818%0.178CC..Hα-helixtrans-69.3-38.2-179.8-69.1-42.7000112.9E672 L694 A695 S700 L701 C702 I715 K718 Y719 I722E672-F698 WeakPolarHBondContact OE1-CZ 3.42Å; L694-F698 HydrophobicContact CD1-CD2 4.06Å; L694-F698 HydrophobicContact CD1-CE1 4.43Å; L694-F698 HydrophobicContact CD1-CE2 3.51Å; L694-F698 HydrophobicContact CD1-CZ 3.72Å; L694-F698 HydrophobicContact CD2-CE2 3.95Å; L694-F698 HydrophobicContact CG-CD2 3.93Å; L694-F698 HydrophobicContact CG-CE2 3.54Å; L694-F698 HydrophobicContact CG-CZ 4.26Å; L694-F698 WeakPolarHBondContact O-CD2 3.48Å; L694-F698 PolarHBondContact O-N 3.43Å; A695-F698 PolarHBondContact O-N 2.99Å; F698-S700 VanDerWaalsContact C-N 3.34Å; F698-S700 PolarHBondContact O-N 3.43Å; F698-L701 HydrophobicContact CD1-CD1 4.15Å; F698-L701 PolarHBondContact O-N 3.42Å; F698-C702 WeakPolarHBondContact O-CB 3.25Å; F698-C702 PolarHBondContact O-N 3.17Å; F698-C702 PolarHBondContact O-SG 2.91Å; F698-I715 HydrophobicContact CD1-CG2 3.75Å; F698-I715 HydrophobicContact CE1-CG2 4.39Å; F698-I715 HydrophobicContact CG-CG2 4.45Å; F698-K718 HydrophobicContact CD2-CB 4.42Å; F698-K718 HydrophobicContact CE2-CB 3.96Å; F698-K718 HydrophobicContact CE2-CD 4.48Å; F698-K718 HydrophobicContact CZ-CB 4.15Å; F698-K718 HydrophobicContact CZ-CD 3.95Å; F698-Y719 HydrophobicContact CB-CD2 3.82Å; F698-Y719 HydrophobicContact CB-CG 4.19Å; F698-I722 HydrophobicContact CD2-CD1 3.61Å; F698-I722 HydrophobicContact CE2-CD1 3.44Å; F698-I722 VanDerWaalsContact CE2-CD1 3.44Å
699H81.3Confident76.9Confident31 Ų3140.7 Ų40.714%0.14420%0.197CC..Hα-helixtrans-56.3-49.6172-176.585.6000111A695 L701 C702 V703 Y719 S759 E775A695-H699 WeakPolarHBondContact O-CB 3.41Å; A695-H699 PolarHBondContact O-N 3.38Å; H699-L701 VanDerWaalsContact C-N 3.28Å; H699-L701 PolarHBondContact O-N 3.27Å; H699-C702 PolarHBondContact O-N 3.14Å; H699-V703 WeakPolarHBondContact O-CG2 3.49Å; H699-V703 PolarHBondContact O-N 3.15Å; H699-Y719 HydrophobicContact CB-CE2 3.76Å; H699-Y719 AromaticContact ND1-CZ 3.75Å; H699-Y719 PolarHBondContact ND1-OH 3.34Å; H699-Y719 VanDerWaalsContact ND1-OH 3.12Å; H699-S759 PolarHBondContact CD2-OG 3.23Å; H699-S759 PolarHBondContact NE2-O 3.09Å; H699-S759 PolarHBondContact NE2-OG 3.21Å; H699-E775 IonicContact CE1-OE1 3.48Å; H699-E775 IonicContact ND1-OE1 3.89Å
700S76.2Confident75.8Confident7 Ų748.8 Ų48.85%0.04923%0.232CC..Hα-helixtrans-60.7-34.9178.1-60.10000113W696 C697 F698 K704W696-S700 WeakPolarHBondContact O-CB 3.34Å; W696-S700 PolarHBondContact O-N 3.45Å; W696-S700 PolarHBondContact O-OG 2.82Å; C697-S700 PolarHBondContact O-N 2.92Å; F698-S700 VanDerWaalsContact C-N 3.34Å; F698-S700 PolarHBondContact O-N 3.43Å; S700-K704 WeakPolarHBondContact O-CB 3.32Å; S700-K704 WeakPolarHBondContact O-CG 2.93Å; S700-K704 PolarHBondContact O-N 3.38Å
701L79.3Confident74.9Confident13 Ų1355.9 Ų55.97%0.06827%0.265CS..Hα-helixtrans-72.2-42.5175.7-72168.5000112.1H664 E665 C697 F698 H699 K704 K705 I715H664-L701 HydrophobicContact CB-CD1 4.18Å; H664-L701 HydrophobicContact CB-CD2 3.93Å; H664-L701 HydrophobicContact CB-CG 3.79Å; E665-L701 HydrophobicContact CG-CD1 4.02Å; E665-L701 HydrophobicContact CG-CD2 3.51Å; E665-L701 HydrophobicContact CG-CG 4.44Å; C697-L701 WeakPolarHBondContact O-CG 3.44Å; C697-L701 PolarHBondContact O-N 3.5Å; F698-L701 HydrophobicContact CD1-CD1 4.15Å; F698-L701 PolarHBondContact O-N 3.42Å; H699-L701 VanDerWaalsContact C-N 3.28Å; H699-L701 PolarHBondContact O-N 3.27Å; L701-K704 PolarHBondContact O-N 3.01Å; L701-K705 PolarHBondContact O-N 3.26Å; L701-K705 VanDerWaalsContact O-N 3.15Å; L701-I715 HydrophobicContact CB-CG2 4.21Å
702C76.3Confident74Confident7 Ų754 Ų545%0.04726%0.259CS..Hα-helixtrans-63.6-38.7177.4-75.40000112.6F698 H699 F707 F779F698-C702 WeakPolarHBondContact O-CB 3.25Å; F698-C702 PolarHBondContact O-N 3.17Å; F698-C702 PolarHBondContact O-SG 2.91Å; H699-C702 PolarHBondContact O-N 3.14Å; C702-F707 HydrophobicContact CB-CZ 4.01Å; C702-F779 HydrophobicContact CB-CE2 3.99Å; C702-F779 HydrophobicContact CB-CZ 3.59Å
703V71.4Confident73.2Confident93 Ų9356.2 Ų56.256%0.56427%0.268SS*.Hα-helixtrans-70.9-34.4178.51730000111.9H699H699-V703 WeakPolarHBondContact O-CG2 3.49Å; H699-V703 PolarHBondContact O-N 3.15Å
704K66.7Low72.5Confident139 Ų13959.7 Ų59.760%0.60428%0.283SS*.Hα-helixtrans-82.4-27.8-176.4-75175.8179.11720114.2H664 S700 L701H664-K704 PolarHBondContact NE2-NZ 3.1Å; S700-K704 WeakPolarHBondContact O-CB 3.32Å; S700-K704 WeakPolarHBondContact O-CG 2.93Å; S700-K704 PolarHBondContact O-N 3.38Å; L701-K704 PolarHBondContact O-N 3.01Å
705K64.2Low71.9Confident64 Ų6460.9 Ų60.928%0.27829%0.289SS..SBendtrans-95.6138-174.3-67.8-164.7-176.8-177.40112.2E665 L701 D712E665-K705 VanDerWaalsContact OE1-CE 3.28Å; E665-K705 WeakPolarHBondContact OE1-CE 3.46Å; E665-K705 IonicContact OE1-NZ 3.64Å; E665-K705 PolarHBondContact OE1-NZ 3.19Å; L701-K705 PolarHBondContact O-N 3.26Å; L701-K705 VanDerWaalsContact O-N 3.15Å; K705-D712 WeakPolarHBondContact CD-OD1 3.29Å; K705-D712 IonicContact NZ-OD1 3.28Å
706H60.9Low71.4Confident160 Ų16061 Ų6174%0.74129%0.291SS*.  trans-76.3124.1160.8-66.3-58.5000108.2E708H706-E708 VanDerWaalsContact C-N 3.28Å; H706-E708 HydrophobicContact CB-CG 4.32Å; H706-E708 PolarHBondContact O-N 3.33Å
707F61.3Low71Confident45 Ų4564.9 Ų64.920%0.19731%0.305CS..SBendtrans-70.876.2-175.9-69.5-77000112.3C702 D712 Y713 A716 F779 L783C702-F707 HydrophobicContact CB-CZ 4.01Å; F707-D712 HydrophobicContact CD1-CB 3.94Å; F707-Y713 HydrophobicContact CB-CE1 3.91Å; F707-Y713 HydrophobicContact CD1-CD1 4.47Å; F707-Y713 PolarHBondContact O-OH 3.49Å; F707-A716 HydrophobicContact CE1-CB 3.79Å; F707-A716 HydrophobicContact CZ-CB 4.43Å; F707-F779 AromaticContact CZ-CZ 3.96Å; F707-F779 HydrophobicContact CZ-CZ 3.96Å; F707-L783 HydrophobicContact CD1-CD2 4.15Å; F707-L783 HydrophobicContact CD2-CD2 4.12Å; F707-L783 HydrophobicContact CE1-CD2 4.23Å; F707-L783 HydrophobicContact CE2-CD2 4.17Å; F707-L783 HydrophobicContact CG-CD2 4.12Å; F707-L783 HydrophobicContact CZ-CD2 4.23Å
708E58.6Low71Confident158 Ų15868.5 Ų68.574%0.73832%0.321SS*.  trans-109-28.6-178.2-65-175.7-179.800112.8H706H706-E708 VanDerWaalsContact C-N 3.28Å; H706-E708 HydrophobicContact CB-CG 4.32Å; H706-E708 PolarHBondContact O-N 3.33Å
709T63.3Low70.9Confident67 Ų6768.4 Ų68.441%0.41132%0.321SS..SBendtrans-103.8157.2-172.675.30000113.1E711 D712 Y713T709-E711 PolarHBondContact O-N 3.01Å; T709-D712 WeakPolarHBondContact CB-OD2 3.08Å; T709-D712 PolarHBondContact N-OD2 3.38Å; T709-D712 PolarHBondContact O-N 3.04Å; T709-D712 PolarHBondContact OG1-N 2.85Å; T709-D712 PolarHBondContact OG1-OD1 2.95Å; T709-D712 PolarHBondContact OG1-OD2 2.92Å; T709-Y713 WeakPolarHBondContact O-CD2 3.46Å; T709-Y713 WeakPolarHBondContact O-CE2 3.47Å; T709-Y713 PolarHBondContact O-N 3.32Å
710K62.8Low70.8Confident172 Ų17267.2 Ų67.275%0.74832%0.315SS*.Hα-helixtrans-57.4-34.9174.8-168.1179.8176.9-173.80112.5Y713 E714K710-Y713 PolarHBondContact O-N 3.39Å; K710-E714 PolarHBondContact O-N 3.29Å
711E66.3Low71Confident148 Ų14869 Ų6969%0.69232%0.322SS*.Hα-helixtrans-69-36179.7-67.5178.4-178.400112T709 Y713 E714 I715T709-E711 PolarHBondContact O-N 3.01Å; E711-Y713 VanDerWaalsContact C-N 3.29Å; E711-Y713 PolarHBondContact O-N 2.5Å; E711-E714 PolarHBondContact O-N 3.29Å; E711-E714 VanDerWaalsContact O-N 3.14Å; E711-I715 PolarHBondContact O-N 2.76Å; E711-I715 VanDerWaalsContact O-N 3.08Å
712D68.1Low71.2Confident10 Ų1069.1 Ų69.15%0.05332%0.323CS..Hα-helixtrans-63.8-36.6177.5-56.8-38.4000111.7K705 F707 T709 I715 A716K705-D712 WeakPolarHBondContact CD-OD1 3.29Å; K705-D712 IonicContact NZ-OD1 3.28Å; F707-D712 HydrophobicContact CD1-CB 3.94Å; T709-D712 WeakPolarHBondContact CB-OD2 3.08Å; T709-D712 PolarHBondContact N-OD2 3.38Å; T709-D712 PolarHBondContact O-N 3.04Å; T709-D712 PolarHBondContact OG1-N 2.85Å; T709-D712 PolarHBondContact OG1-OD1 2.95Å; T709-D712 PolarHBondContact OG1-OD2 2.92Å; D712-I715 PolarHBondContact O-N 2.89Å; D712-A716 PolarHBondContact O-N 2.81Å
713Y69.3Low71.5Confident47 Ų4768.8 Ų68.818%0.18432%0.321CS..Hα-helixtrans-68.9-33.3175.3-58.2-59.1000112.7F707 T709 K710 E711 A716 R717 H787 V790F707-Y713 HydrophobicContact CB-CE1 3.91Å; F707-Y713 HydrophobicContact CD1-CD1 4.47Å; F707-Y713 PolarHBondContact O-OH 3.49Å; T709-Y713 WeakPolarHBondContact O-CD2 3.46Å; T709-Y713 WeakPolarHBondContact O-CE2 3.47Å; T709-Y713 PolarHBondContact O-N 3.32Å; K710-Y713 PolarHBondContact O-N 3.39Å; E711-Y713 VanDerWaalsContact C-N 3.29Å; E711-Y713 PolarHBondContact O-N 2.5Å; Y713-A716 PolarHBondContact O-N 3.37Å; Y713-R717 VanDerWaalsContact O-CB 3.32Å; Y713-R717 WeakPolarHBondContact O-CB 3.32Å; Y713-R717 PolarHBondContact O-N 2.99Å; Y713-H787 PolarHBondContact OH-CD2 2.81Å; Y713-V790 HydrophobicContact CD1-CG1 3.76Å; Y713-V790 HydrophobicContact CD2-CG1 3.76Å; Y713-V790 HydrophobicContact CE1-CB 4.49Å; Y713-V790 HydrophobicContact CE1-CG1 3.98Å; Y713-V790 HydrophobicContact CE1-CG2 4.49Å; Y713-V790 HydrophobicContact CE2-CG1 3.99Å; Y713-V790 HydrophobicContact CE2-CG2 4.28Å; Y713-V790 HydrophobicContact CG-CG1 3.66Å
714E72.1Confident72Confident78 Ų7864.4 Ų64.436%0.36429%0.294SS..Hα-helixtrans-68.2-37.3173.8-70.9-64.4162.300111.4K710 E711 R717 K718K710-E714 PolarHBondContact O-N 3.29Å; E711-E714 PolarHBondContact O-N 3.29Å; E711-E714 VanDerWaalsContact O-N 3.14Å; E714-R717 PolarHBondContact O-N 3.05Å; E714-R717 IonicContact OE1-NH1 2.77Å; E714-R717 PolarHBondContact OE1-NH1 3.33Å; E714-R717 VanDerWaalsContact OE1-NH1 3.09Å; E714-R717 IonicContact OE2-NH1 3.8Å; E714-R717 PolarHBondContact OE2-NH1 3.03Å; E714-K718 WeakPolarHBondContact O-CB 3.24Å; E714-K718 WeakPolarHBondContact O-CG 3.28Å; E714-K718 PolarHBondContact O-N 2.97Å
715I76.3Confident72.6Confident29 Ų2959.8 Ų59.815%0.14928%0.276CS..Hα-helixtrans-63.1-47.6173.7-65.9169.4000110.6F698 L701 E711 D712 R717 K718 Y719F698-I715 HydrophobicContact CD1-CG2 3.75Å; F698-I715 HydrophobicContact CE1-CG2 4.39Å; F698-I715 HydrophobicContact CG-CG2 4.45Å; L701-I715 HydrophobicContact CB-CG2 4.21Å; E711-I715 PolarHBondContact O-N 2.76Å; E711-I715 VanDerWaalsContact O-N 3.08Å; D712-I715 PolarHBondContact O-N 2.89Å; I715-R717 VanDerWaalsContact C-N 3.32Å; I715-R717 PolarHBondContact O-N 3Å; I715-K718 PolarHBondContact O-N 2.66Å; I715-Y719 PolarHBondContact O-N 2.68Å
716A75.4Confident73.5Confident4 Ų456.7 Ų56.73%0.03326%0.262CS..Hα-helixtrans-59.4-42.4175.400000112.2F707 D712 Y713 Y719 I720 F779 L783F707-A716 HydrophobicContact CE1-CB 3.79Å; F707-A716 HydrophobicContact CZ-CB 4.43Å; D712-A716 PolarHBondContact O-N 2.81Å; Y713-A716 PolarHBondContact O-N 3.37Å; A716-Y719 PolarHBondContact O-N 3.18Å; A716-I720 VanDerWaalsContact O-CG1 3.29Å; A716-I720 WeakPolarHBondContact O-CG1 3.28Å; A716-I720 PolarHBondContact O-N 3.34Å; A716-F779 HydrophobicContact CB-CE1 4.09Å; A716-L783 HydrophobicContact CB-CD1 3.91Å; A716-L783 HydrophobicContact CB-CD2 4.44Å
717R75.5Confident74.4Confident87 Ų8749.1 Ų49.133%0.32823%0.228SC..Hα-helixtrans-60.6-47.3176.1178.9-174.9-83.1175.8-14111.3Y713 E714 I715 I720 Q721 D793Y713-R717 VanDerWaalsContact O-CB 3.32Å; Y713-R717 WeakPolarHBondContact O-CB 3.32Å; Y713-R717 PolarHBondContact O-N 2.99Å; E714-R717 PolarHBondContact O-N 3.05Å; E714-R717 IonicContact OE1-NH1 2.77Å; E714-R717 PolarHBondContact OE1-NH1 3.33Å; E714-R717 VanDerWaalsContact OE1-NH1 3.09Å; E714-R717 IonicContact OE2-NH1 3.8Å; E714-R717 PolarHBondContact OE2-NH1 3.03Å; I715-R717 VanDerWaalsContact C-N 3.32Å; I715-R717 PolarHBondContact O-N 3Å; R717-I720 PolarHBondContact O-N 3.27Å; R717-Q721 WeakPolarHBondContact O-CG 3.4Å; R717-Q721 PolarHBondContact O-N 3Å; R717-D793 IonicContact NH2-OD2 3.7Å
718K81.4Confident75Confident75 Ų7547.2 Ų47.233%0.32622%0.22SC..Hα-helixtrans-61.5-41.9176.8-75.9-178.8170-162.30112.3E672 F698 E714 I715 Q721 I722E672-K718 WeakPolarHBondContact OE1-CD 3.42Å; E672-K718 WeakPolarHBondContact OE1-CE 2.94Å; E672-K718 IonicContact OE1-NZ 2.79Å; E672-K718 PolarHBondContact OE1-NZ 2.95Å; E672-K718 IonicContact OE2-NZ 3.46Å; E672-K718 PolarHBondContact OE2-NZ 2.65Å; E672-K718 VanDerWaalsContact OE2-NZ 3.13Å; F698-K718 HydrophobicContact CD2-CB 4.42Å; F698-K718 HydrophobicContact CE2-CB 3.96Å; F698-K718 HydrophobicContact CE2-CD 4.48Å; F698-K718 HydrophobicContact CZ-CB 4.15Å; F698-K718 HydrophobicContact CZ-CD 3.95Å; E714-K718 WeakPolarHBondContact O-CB 3.24Å; E714-K718 WeakPolarHBondContact O-CG 3.28Å; E714-K718 PolarHBondContact O-N 2.97Å; I715-K718 PolarHBondContact O-N 2.66Å; K718-Q721 PolarHBondContact O-N 2.96Å; K718-I722 WeakPolarHBondContact O-CG1 3.37Å; K718-I722 PolarHBondContact O-N 3.06Å
719Y82.8Confident76Confident3 Ų340.8 Ų40.81%0.01219%0.192CC..Hα-helixtrans-57.1-52.8175.3-179.9-122000111.4A695 F698 H699 I715 A716 Q721 I722 C723 E775 F779A695-Y719 HydrophobicContact CB-CE2 4.47Å; A695-Y719 WeakPolarHBondContact O-CE2 3.39Å; F698-Y719 HydrophobicContact CB-CD2 3.82Å; F698-Y719 HydrophobicContact CB-CG 4.19Å; H699-Y719 HydrophobicContact CB-CE2 3.76Å; H699-Y719 AromaticContact ND1-CZ 3.75Å; H699-Y719 PolarHBondContact ND1-OH 3.34Å; H699-Y719 VanDerWaalsContact ND1-OH 3.12Å; I715-Y719 PolarHBondContact O-N 2.68Å; A716-Y719 PolarHBondContact O-N 3.18Å; Y719-Q721 VanDerWaalsContact C-N 3.3Å; Y719-Q721 PolarHBondContact O-N 3.49Å; Y719-I722 PolarHBondContact O-N 3.29Å; Y719-I722 VanDerWaalsContact O-N 3.14Å; Y719-C723 VanDerWaalsContact CE2-SG 3.58Å; Y719-C723 PolarHBondContact O-N 2.88Å; Y719-C723 PolarHBondContact O-SG 3.14Å; Y719-C723 VanDerWaalsContact O-SG 3.35Å; Y719-E775 WeakPolarHBondContact OH-CG 3.43Å; Y719-E775 PolarHBondContact OH-OE1 3.45Å; Y719-F779 AromaticContact CD1-CD1 3.68Å; Y719-F779 HydrophobicContact CD1-CD1 3.68Å; Y719-F779 AromaticContact CD1-CE1 3.71Å; Y719-F779 HydrophobicContact CD1-CE1 3.71Å; Y719-F779 HydrophobicContact CD1-CG 4.1Å; Y719-F779 HydrophobicContact CD1-CZ 4.21Å; Y719-F779 HydrophobicContact CE1-CB 4.39Å; Y719-F779 AromaticContact CE1-CD1 4Å; Y719-F779 HydrophobicContact CE1-CD1 4Å; Y719-F779 HydrophobicContact CE1-CD2 4.16Å; Y719-F779 HydrophobicContact CE1-CE1 4.3Å; Y719-F779 HydrophobicContact CE1-CE2 4.49Å; Y719-F779 AromaticContact CE1-CG 3.92Å; Y719-F779 HydrophobicContact CE1-CG 3.92Å
720I79.2Confident76.7Confident5 Ų542.4 Ų42.43%0.02619%0.193CC..Hα-helixtrans-60.1-41.6-179.7-65.2164.7000111A716 R717 I722 C723 F724 A776 F779 R780 L783 Y795A716-I720 VanDerWaalsContact O-CG1 3.29Å; A716-I720 WeakPolarHBondContact O-CG1 3.28Å; A716-I720 PolarHBondContact O-N 3.34Å; R717-I720 PolarHBondContact O-N 3.27Å; I720-I722 PolarHBondContact O-N 3.07Å; I720-C723 PolarHBondContact O-N 2.63Å; I720-F724 HydrophobicContact CG2-CD2 3.73Å; I720-F724 HydrophobicContact CG2-CE2 3.38Å; I720-F724 HydrophobicContact CG2-CZ 4.36Å; I720-F724 VanDerWaalsContact O-CD2 3.24Å; I720-F724 WeakPolarHBondContact O-CD2 3.16Å; I720-F724 PolarHBondContact O-N 3.18Å; I720-A776 HydrophobicContact CG2-CB 4.48Å; I720-F779 HydrophobicContact CD1-CD1 4.05Å; I720-F779 HydrophobicContact CD1-CE1 4.49Å; I720-F779 HydrophobicContact CG1-CD1 3.83Å; I720-F779 HydrophobicContact CG1-CE1 4.41Å; I720-R780 HydrophobicContact CD1-CB 4.46Å; I720-L783 HydrophobicContact CD1-CD1 4.07Å; I720-Y795 HydrophobicContact CB-CE1 4.15Å; I720-Y795 HydrophobicContact CD1-CE1 4.12Å; I720-Y795 HydrophobicContact CG2-CD1 4.02Å; I720-Y795 HydrophobicContact CG2-CE1 3.44Å; I720-Y795 VanDerWaalsContact CG2-CE1 3.44Å
721Q79.3Confident77.4Confident44 Ų4437.3 Ų37.321%0.20618%0.179CC..Hα-helixtrans-60-44.6176.2-75.1175.3-11.500112.2R717 K718 Y719 F724 I725 P799R717-Q721 WeakPolarHBondContact O-CG 3.4Å; R717-Q721 PolarHBondContact O-N 3Å; K718-Q721 PolarHBondContact O-N 2.96Å; Y719-Q721 VanDerWaalsContact C-N 3.3Å; Y719-Q721 PolarHBondContact O-N 3.49Å; Q721-F724 PolarHBondContact O-N 3.45Å; Q721-I725 WeakPolarHBondContact O-CG1 3.41Å; Q721-I725 PolarHBondContact O-N 2.95Å; Q721-P799 HydrophobicContact CB-CG 4.34Å; Q721-P799 HydrophobicContact CG-CG 4.15Å
722I84Confident77.9Confident17 Ų1733.7 Ų33.79%0.08717%0.17CC..Hα-helixtrans-66.5-41178.8-70.2163.1000111.1R691 L694 A695 F698 K718 Y719 I720 F724 I725 L726R691-I722 HydrophobicContact CB-CG2 4.47Å; L694-I722 HydrophobicContact CD2-CD1 3.47Å; L694-I722 VanDerWaalsContact CD2-CD1 3.47Å; L694-I722 HydrophobicContact CG-CD1 3.7Å; A695-I722 HydrophobicContact CB-CG2 3.88Å; F698-I722 HydrophobicContact CD2-CD1 3.61Å; F698-I722 HydrophobicContact CE2-CD1 3.44Å; F698-I722 VanDerWaalsContact CE2-CD1 3.44Å; K718-I722 WeakPolarHBondContact O-CG1 3.37Å; K718-I722 PolarHBondContact O-N 3.06Å; Y719-I722 PolarHBondContact O-N 3.29Å; Y719-I722 VanDerWaalsContact O-N 3.14Å; I720-I722 PolarHBondContact O-N 3.07Å; I722-F724 VanDerWaalsContact C-N 3.33Å; I722-F724 PolarHBondContact O-N 3.41Å; I722-I725 WeakPolarHBondContact O-CB 3.49Å; I722-I725 PolarHBondContact O-N 2.8Å; I722-I725 VanDerWaalsContact O-N 3.15Å; I722-L726 HydrophobicContact CG2-CD1 4.03Å; I722-L726 HydrophobicContact CG2-CG 4.35Å; I722-L726 WeakPolarHBondContact O-CG 3.48Å; I722-L726 PolarHBondContact O-N 2.97Å
723C83.6Confident78.4Confident0 Ų035.3 Ų35.30%018%0.178CC..Hα-helixtrans-60.1-42.5175.7-66.30000111.5Y719 I720 I725 L726 A727 W772 A776Y719-C723 VanDerWaalsContact CE2-SG 3.58Å; Y719-C723 PolarHBondContact O-N 2.88Å; Y719-C723 PolarHBondContact O-SG 3.14Å; Y719-C723 VanDerWaalsContact O-SG 3.35Å; I720-C723 PolarHBondContact O-N 2.63Å; C723-I725 PolarHBondContact O-N 3.25Å; C723-L726 PolarHBondContact O-N 2.88Å; C723-A727 WeakPolarHBondContact O-CB 3.38Å; C723-A727 PolarHBondContact O-N 2.67Å; C723-W772 HydrophobicContact CB-CE3 4.47Å; C723-A776 HydrophobicContact CB-CB 3.78Å
724F81.2Confident79Confident1 Ų133.1 Ų33.10%0.00417%0.169CC..Hα-helixtrans-63.5-39.2173.6-76.7-53.7000113I720 Q721 I722 A727 G728 W773 A776 P799 L800 V1166 F1168I720-F724 HydrophobicContact CG2-CD2 3.73Å; I720-F724 HydrophobicContact CG2-CE2 3.38Å; I720-F724 HydrophobicContact CG2-CZ 4.36Å; I720-F724 VanDerWaalsContact O-CD2 3.24Å; I720-F724 WeakPolarHBondContact O-CD2 3.16Å; I720-F724 PolarHBondContact O-N 3.18Å; Q721-F724 PolarHBondContact O-N 3.45Å; I722-F724 VanDerWaalsContact C-N 3.33Å; I722-F724 PolarHBondContact O-N 3.41Å; F724-A727 PolarHBondContact O-N 2.63Å; F724-G728 PolarHBondContact O-N 3.49Å; F724-W773 AromaticContact CD1-CE3 3.8Å; F724-W773 HydrophobicContact CD1-CE3 3.8Å; F724-W773 HydrophobicContact CD1-CH2 4.47Å; F724-W773 AromaticContact CD1-CZ3 3.75Å; F724-W773 HydrophobicContact CD1-CZ3 3.75Å; F724-W773 HydrophobicContact CE1-CD2 4.31Å; F724-W773 AromaticContact CE1-CE3 3.92Å; F724-W773 HydrophobicContact CE1-CE3 3.92Å; F724-W773 HydrophobicContact CE1-CH2 4.14Å; F724-W773 AromaticContact CE1-CZ3 3.84Å; F724-W773 HydrophobicContact CE1-CZ3 3.84Å; F724-A776 HydrophobicContact CD1-CB 4.1Å; F724-A776 HydrophobicContact CD2-CB 4.43Å; F724-A776 HydrophobicContact CE1-CB 3.83Å; F724-A776 HydrophobicContact CE2-CB 4.2Å; F724-A776 HydrophobicContact CG-CB 4.38Å; F724-A776 HydrophobicContact CZ-CB 3.88Å; F724-P799 HydrophobicContact CB-CB 4.19Å; F724-L800 HydrophobicContact CB-CD1 4.37Å; F724-L800 HydrophobicContact CB-CG 4.4Å; F724-L800 HydrophobicContact CD1-CD1 4.38Å; F724-L800 WeakPolarHBondContact O-CD2 3.44Å; F724-V1166 HydrophobicContact CE1-CG1 4.25Å; F724-V1166 HydrophobicContact CE2-CG1 4.43Å; F724-V1166 HydrophobicContact CZ-CG1 3.73Å; F724-F1168 HydrophobicContact CD1-CZ 4.23Å; F724-F1168 HydrophobicContact CD2-CE1 4.22Å; F724-F1168 HydrophobicContact CD2-CZ 4.44Å; F724-F1168 HydrophobicContact CE1-CZ 4.23Å; F724-F1168 HydrophobicContact CE2-CE1 4.36Å; F724-F1168 HydrophobicContact CE2-CZ 4.41Å; F724-F1168 HydrophobicContact CG-CE1 4.42Å; F724-F1168 HydrophobicContact CG-CZ 4.36Å; F724-F1168 HydrophobicContact CZ-CZ 4.33Å
725I79.3Confident79.5Confident41 Ų4134.4 Ų34.421%0.2117%0.171CC..Hα-helixtrans-60.5-48.2174.6-68.9167.3000110.1Q721 I722 C723 A727 G728 T729 P799Q721-I725 WeakPolarHBondContact O-CG1 3.41Å; Q721-I725 PolarHBondContact O-N 2.95Å; I722-I725 WeakPolarHBondContact O-CB 3.49Å; I722-I725 PolarHBondContact O-N 2.8Å; I722-I725 VanDerWaalsContact O-N 3.15Å; C723-I725 PolarHBondContact O-N 3.25Å; I725-A727 VanDerWaalsContact C-N 3.35Å; I725-A727 PolarHBondContact O-N 3.42Å; I725-G728 PolarHBondContact O-N 3.48Å; I725-G728 VanDerWaalsContact O-N 3.1Å; I725-T729 WeakPolarHBondContact O-CG2 3.35Å; I725-T729 PolarHBondContact O-N 3.43Å; I725-P799 HydrophobicContact CG1-CB 3.9Å
726L83.3Confident79.6Confident0 Ų038.6 Ų38.60%019%0.192CC..Hα-helixtrans-62.9-40.3178.6-68.2173.2000111.6T688 R691 I692 A695 I722 C723 G728 T729 L734 W772T688-L726 HydrophobicContact CG2-CD2 4.25Å; R691-L726 HydrophobicContact CB-CD2 4.07Å; I692-L726 HydrophobicContact CG1-CD1 4.44Å; I692-L726 HydrophobicContact CG1-CD2 4.06Å; A695-L726 HydrophobicContact CB-CD1 4.07Å; I722-L726 HydrophobicContact CG2-CD1 4.03Å; I722-L726 HydrophobicContact CG2-CG 4.35Å; I722-L726 WeakPolarHBondContact O-CG 3.48Å; I722-L726 PolarHBondContact O-N 2.97Å; C723-L726 PolarHBondContact O-N 2.88Å; L726-G728 PolarHBondContact O-N 3.29Å; L726-T729 PolarHBondContact O-N 3.09Å; L726-T729 PolarHBondContact O-OG1 3.17Å; L726-L734 HydrophobicContact CD2-CD2 3.94Å; L726-W772 HydrophobicContact CB-CB 4.12Å; L726-W772 HydrophobicContact CB-CD2 3.96Å; L726-W772 HydrophobicContact CB-CG 3.75Å; L726-W772 HydrophobicContact CD1-CD2 3.79Å; L726-W772 HydrophobicContact CD1-CE3 3.83Å; L726-W772 HydrophobicContact CD1-CG 4.48Å; L726-W772 HydrophobicContact CD1-CH2 3.9Å; L726-W772 HydrophobicContact CD1-CZ2 3.88Å; L726-W772 HydrophobicContact CD1-CZ3 3.89Å
727A79.5Confident80Confident1 Ų138.5 Ų38.51%0.00819%0.191CC..Hα-helixtrans-60.6-30.8173.400000113C723 F724 I725 T729 P769 W772 W773 R829C723-A727 WeakPolarHBondContact O-CB 3.38Å; C723-A727 PolarHBondContact O-N 2.67Å; F724-A727 PolarHBondContact O-N 2.63Å; I725-A727 VanDerWaalsContact C-N 3.35Å; I725-A727 PolarHBondContact O-N 3.42Å; A727-T729 VanDerWaalsContact C-N 3.34Å; A727-P769 WeakPolarHBondContact CA-O 3.37Å; A727-P769 WeakPolarHBondContact CB-O 3.46Å; A727-P769 WeakPolarHBondContact O-CB 3.44Å; A727-W772 HydrophobicContact CB-CB 4.09Å; A727-W773 HydrophobicContact CB-CB 3.94Å; A727-W773 HydrophobicContact CB-CE3 4.13Å; A727-R829 VanDerWaalsContact O-CD 3.31Å; A727-R829 WeakPolarHBondContact O-CD 3.2Å; A727-R829 PolarHBondContact O-NE 2.78Å; A727-R829 VanDerWaalsContact O-NE 3.08Å
728G74.5Confident80.3Confident4 Ų434.3 Ų34.34%0.04118%0.176CC..Hα-helixtrans-76-16175.300000114.9F724 I725 L726 S827 D828F724-G728 PolarHBondContact O-N 3.49Å; I725-G728 PolarHBondContact O-N 3.48Å; I725-G728 VanDerWaalsContact O-N 3.1Å; L726-G728 PolarHBondContact O-N 3.29Å; G728-S827 WeakPolarHBondContact O-CA 3.21Å; G728-D828 PolarHBondContact O-N 2.87Å
729T79.6Confident80.1Confident24 Ų2433.9 Ų33.915%0.14718%0.176CC..SBendtrans-83148.7-174.860.10000113.7I725 L726 A727 L734I725-T729 WeakPolarHBondContact O-CG2 3.35Å; I725-T729 PolarHBondContact O-N 3.43Å; L726-T729 PolarHBondContact O-N 3.09Å; L726-T729 PolarHBondContact O-OG1 3.17Å; A727-T729 VanDerWaalsContact C-N 3.34Å; T729-L734 VanDerWaalsContact OG1-CD2 3.25Å; T729-L734 WeakPolarHBondContact OG1-CD2 3.45Å; T729-L734 WeakPolarHBondContact OG1-CG 3.44Å
730K76.5Confident79.9Confident100 Ų10037.7 Ų37.744%0.43519%0.194SC..  trans-58.9134.8173.4-96164-168.7119.40111.9S732 I733 L734 D828K730-S732 PolarHBondContact O-N 3.49Å; K730-S732 VanDerWaalsContact O-N 3.17Å; K730-I733 HydrophobicContact CB-CD1 4.15Å; K730-I733 HydrophobicContact CB-CG1 4.11Å; K730-I733 PolarHBondContact O-N 2.91Å; K730-L734 PolarHBondContact O-N 2.94Å; K730-D828 HydrophobicContact CD-CB 4.44Å; K730-D828 WeakPolarHBondContact CD-OD2 3.35Å; K730-D828 VanDerWaalsContact CE-CG 3.44Å; K730-D828 WeakPolarHBondContact CE-OD2 3.33Å; K730-D828 HydrophobicContact CG-CB 3.83Å; K730-D828 WeakPolarHBondContact CG-OD2 3.35Å; K730-D828 IonicContact NZ-OD1 3.51Å; K730-D828 PolarHBondContact NZ-OD1 2.76Å; K730-D828 IonicContact NZ-OD2 2.75Å; K730-D828 PolarHBondContact NZ-OD2 2.83Å
731C78.5Confident79.8Confident66 Ų6637.6 Ų37.645%0.44619%0.194SC..Hα-helixtrans-53-36.5173.6-1790000113I733 L734 R735 P769C731-I733 PolarHBondContact O-N 3.44Å; C731-L734 PolarHBondContact O-N 3.11Å; C731-R735 WeakPolarHBondContact O-CB 3.36Å; C731-R735 PolarHBondContact O-N 3.43Å; C731-P769 HydrophobicContact CB-CG 4.31Å
732S76.8Confident79.6Confident72 Ų7237.6 Ų37.650%0.50319%0.192SC..Hα-helixtrans-64.7-36.9176.4560000113.6K730 I736K730-S732 PolarHBondContact O-N 3.49Å; K730-S732 VanDerWaalsContact O-N 3.17Å; S732-I736 WeakPolarHBondContact O-CG1 3.3Å; S732-I736 PolarHBondContact O-N 3.08Å
733I79.1Confident78.8Confident44 Ų4441.5 Ų41.523%0.22621%0.213CC..Hα-helixtrans-74-44.5177.6-59176.5000109.4I684 T688 K730 C731 R735 I736 A737I684-I733 HydrophobicContact CG2-CD1 4.24Å; I684-I733 HydrophobicContact CG2-CG2 4.22Å; T688-I733 HydrophobicContact CG2-CG2 4.28Å; K730-I733 HydrophobicContact CB-CD1 4.15Å; K730-I733 HydrophobicContact CB-CG1 4.11Å; K730-I733 PolarHBondContact O-N 2.91Å; C731-I733 PolarHBondContact O-N 3.44Å; I733-R735 VanDerWaalsContact C-N 3.26Å; I733-R735 PolarHBondContact O-N 3.18Å; I733-I736 PolarHBondContact O-N 3.1Å; I733-A737 WeakPolarHBondContact O-CB 3.42Å; I733-A737 PolarHBondContact O-N 3.32Å
734L81.8Confident78Confident0 Ų043.3 Ų43.30%022%0.221CC..Hα-helixtrans-56.7-40.5172.7-73.5175.6000111.6T688 I692 L726 T729 K730 C731 A737 A738 I767 P769T688-L734 HydrophobicContact CG2-CD2 3.84Å; I692-L734 HydrophobicContact CD1-CD2 4.36Å; L726-L734 HydrophobicContact CD2-CD2 3.94Å; T729-L734 VanDerWaalsContact OG1-CD2 3.25Å; T729-L734 WeakPolarHBondContact OG1-CD2 3.45Å; T729-L734 WeakPolarHBondContact OG1-CG 3.44Å; K730-L734 PolarHBondContact O-N 2.94Å; C731-L734 PolarHBondContact O-N 3.11Å; L734-A737 PolarHBondContact O-N 3.48Å; L734-A738 WeakPolarHBondContact O-CB 3.24Å; L734-A738 PolarHBondContact O-N 3.24Å; L734-I767 WeakPolarHBondContact CD1-O 3.31Å; L734-P769 HydrophobicContact CD1-CB 3.77Å; L734-P769 HydrophobicContact CD1-CG 3.71Å
735R81.5Confident77.1Confident105 Ų10544.1 Ų44.140%0.39623%0.225SC..Hα-helixtrans-61.2-49176.8-173.4171.6-175.8-1741.6112.5C731 I733 A737 A738 I739 I767 S1533C731-R735 WeakPolarHBondContact O-CB 3.36Å; C731-R735 PolarHBondContact O-N 3.43Å; I733-R735 VanDerWaalsContact C-N 3.26Å; I733-R735 PolarHBondContact O-N 3.18Å; R735-A737 VanDerWaalsContact C-N 3.33Å; R735-A737 PolarHBondContact O-N 3.03Å; R735-A738 PolarHBondContact O-N 2.79Å; R735-I739 HydrophobicContact CG-CD1 3.85Å; R735-I739 HydrophobicContact CG-CG1 4.5Å; R735-I739 WeakPolarHBondContact O-CB 3.36Å; R735-I739 WeakPolarHBondContact O-CD1 3.24Å; R735-I739 WeakPolarHBondContact O-CG1 3.42Å; R735-I739 PolarHBondContact O-N 3.01Å; R735-I767 HydrophobicContact CB-CD1 4.39Å; R735-I767 HydrophobicContact CB-CG1 4.48Å; R735-I767 HydrophobicContact CB-CG2 3.9Å; R735-I767 HydrophobicContact CG-CD1 4.09Å; R735-I767 HydrophobicContact CG-CG2 4.44Å; R735-S1533 PolarHBondContact NH1-OG 3.25Å
736I79.3Confident76Confident117 Ų11748.1 Ų48.160%0.624%0.243SC*.Hα-helixtrans-63-44.1178.4-65.1165.8000110.3S732 I733 H740S732-I736 WeakPolarHBondContact O-CG1 3.3Å; S732-I736 PolarHBondContact O-N 3.08Å; I733-I736 PolarHBondContact O-N 3.1Å; I736-H740 WeakPolarHBondContact O-CB 3.34Å; I736-H740 PolarHBondContact O-N 3.17Å
737A82.8Confident74.4Confident2 Ų252.5 Ų52.52%0.01726%0.262CS..Hα-helixtrans-64.2-45.5178.500000112.1T688 I692 I733 L734 R735 H740 V741T688-A737 HydrophobicContact CG2-CB 3.72Å; I692-A737 HydrophobicContact CD1-CB 3.84Å; I733-A737 WeakPolarHBondContact O-CB 3.42Å; I733-A737 PolarHBondContact O-N 3.32Å; L734-A737 PolarHBondContact O-N 3.48Å; R735-A737 VanDerWaalsContact C-N 3.33Å; R735-A737 PolarHBondContact O-N 3.03Å; A737-H740 WeakPolarHBondContact O-CB 3.41Å; A737-H740 PolarHBondContact O-N 3.42Å; A737-V741 VanDerWaalsContact O-CG2 3.29Å; A737-V741 WeakPolarHBondContact O-CG2 3.39Å; A737-V741 PolarHBondContact O-N 2.85Å
738A82.5Confident72.9Confident0 Ų053.8 Ų53.80%027%0.267CS..Hα-helixtrans-63.4-47.3177.100000111.1L734 R735 H740 V741 Y742 F763 I767L734-A738 WeakPolarHBondContact O-CB 3.24Å; L734-A738 PolarHBondContact O-N 3.24Å; R735-A738 PolarHBondContact O-N 2.79Å; A738-H740 VanDerWaalsContact C-N 3.25Å; A738-H740 PolarHBondContact O-N 3.2Å; A738-V741 PolarHBondContact O-N 2.82Å; A738-V741 VanDerWaalsContact O-N 3.12Å; A738-Y742 HydrophobicContact CB-CD2 4.35Å; A738-Y742 WeakPolarHBondContact O-CB 3.11Å; A738-Y742 VanDerWaalsContact O-CD2 3.25Å; A738-Y742 WeakPolarHBondContact O-CD2 3.26Å; A738-Y742 PolarHBondContact O-N 3.38Å; A738-F763 HydrophobicContact CB-CD2 4.4Å; A738-F763 HydrophobicContact CB-CE2 4.12Å; A738-I767 HydrophobicContact CB-CD1 4.23Å; A738-I767 HydrophobicContact CB-CG1 3.66Å
739I77.8Confident71.7Confident65 Ų6554.9 Ų54.933%0.33327%0.27SS..Hα-helixtrans-54.7-45.2175.5-70.1165.5000110.6R735 N743 F763R735-I739 HydrophobicContact CG-CD1 3.85Å; R735-I739 HydrophobicContact CG-CG1 4.5Å; R735-I739 WeakPolarHBondContact O-CB 3.36Å; R735-I739 WeakPolarHBondContact O-CD1 3.24Å; R735-I739 WeakPolarHBondContact O-CG1 3.42Å; R735-I739 PolarHBondContact O-N 3.01Å; I739-N743 WeakPolarHBondContact CG2-ND2 3.42Å; I739-N743 VanDerWaalsContact O-CB 3.27Å; I739-N743 WeakPolarHBondContact O-CB 3.49Å; I739-N743 PolarHBondContact O-N 3.09Å; I739-N743 PolarHBondContact O-ND2 2.84Å; I739-F763 HydrophobicContact CG1-CE2 3.92Å; I739-F763 HydrophobicContact CG1-CZ 3.68Å
740H78Confident70.1Confident83 Ų8361.3 Ų61.338%0.38430%0.298SS..Hα-helixtrans-59.9-48.5177.1178.6-92.5000112.1I736 A737 A738 K744I736-H740 WeakPolarHBondContact O-CB 3.34Å; I736-H740 PolarHBondContact O-N 3.17Å; A737-H740 WeakPolarHBondContact O-CB 3.41Å; A737-H740 PolarHBondContact O-N 3.42Å; A738-H740 VanDerWaalsContact C-N 3.25Å; A738-H740 PolarHBondContact O-N 3.2Å; H740-K744 WeakPolarHBondContact O-CB 3.5Å; H740-K744 PolarHBondContact O-N 3.47Å
741V78.2Confident68.3Low4 Ų461.4 Ų61.42%0.02431%0.308CS..Hα-helixtrans-66.2-44.8-179.4176.50000111.7I692 W696 A737 A738 K744 I745I692-V741 HydrophobicContact CG2-CG1 4.5Å; W696-V741 HydrophobicContact CE3-CG1 4.28Å; W696-V741 HydrophobicContact CH2-CB 4.42Å; W696-V741 HydrophobicContact CH2-CG1 3.34Å; W696-V741 HydrophobicContact CZ2-CG1 4.47Å; W696-V741 HydrophobicContact CZ3-CG1 3.18Å; A737-V741 VanDerWaalsContact O-CG2 3.29Å; A737-V741 WeakPolarHBondContact O-CG2 3.39Å; A737-V741 PolarHBondContact O-N 2.85Å; A738-V741 PolarHBondContact O-N 2.82Å; A738-V741 VanDerWaalsContact O-N 3.12Å; V741-K744 WeakPolarHBondContact O-CB 2.93Å; V741-K744 PolarHBondContact O-N 2.83Å; V741-I745 HydrophobicContact CG1-CD1 4.17Å; V741-I745 PolarHBondContact O-N 2.98Å
742Y74.6Confident66.4Low44 Ų4460.7 Ų60.717%0.17330%0.299CS..Hα-helixtrans-69.8-41.2-177.9-87.3-95.1000113.2W696 A738 K744 I745 Q746 P761 T762 F763 S766W696-Y742 HydrophobicContact CH2-CD2 4.32Å; W696-Y742 AromaticContact CH2-CE2 3.89Å; W696-Y742 HydrophobicContact CH2-CE2 3.89Å; W696-Y742 AromaticContact CZ2-CE2 3.98Å; W696-Y742 HydrophobicContact CZ2-CE2 3.98Å; A738-Y742 HydrophobicContact CB-CD2 4.35Å; A738-Y742 WeakPolarHBondContact O-CB 3.11Å; A738-Y742 VanDerWaalsContact O-CD2 3.25Å; A738-Y742 WeakPolarHBondContact O-CD2 3.26Å; A738-Y742 PolarHBondContact O-N 3.38Å; Y742-K744 PolarHBondContact O-N 3.12Å; Y742-I745 PolarHBondContact O-N 3.39Å; Y742-Q746 WeakPolarHBondContact O-CB 3.48Å; Y742-Q746 PolarHBondContact O-N 2.98Å; Y742-P761 PolarHBondContact OH-O 2.82Å; Y742-T762 PolarHBondContact OH-O 2.71Å; Y742-F763 HydrophobicContact CD1-CB 4.38Å; Y742-F763 HydrophobicContact CD1-CD2 4.18Å; Y742-F763 AromaticContact CD2-CD2 3.61Å; Y742-F763 HydrophobicContact CD2-CD2 3.61Å; Y742-F763 HydrophobicContact CD2-CE2 4.3Å; Y742-F763 HydrophobicContact CE1-CB 4Å; Y742-F763 HydrophobicContact CE1-CD2 4.46Å; Y742-F763 HydrophobicContact CE2-CB 4.32Å; Y742-F763 AromaticContact CE2-CD2 3.91Å; Y742-F763 HydrophobicContact CE2-CD2 3.91Å; Y742-F763 AromaticContact CG-CD2 3.72Å; Y742-F763 HydrophobicContact CG-CD2 3.72Å; Y742-F763 HydrophobicContact CG-CE2 4.42Å; Y742-F763 WeakPolarHBondContact OH-CA 3.5Å; Y742-F763 PolarHBondContact OH-N 2.86Å; Y742-S766 WeakPolarHBondContact CE2-OG 3.46Å
743N67.1Low64.8Low98 Ų9862.5 Ų62.552%0.52430%0.303SS..Hα-helixtrans-59.6-35.8172.7-73.9-14.1000110.8I739 F747I739-N743 WeakPolarHBondContact CG2-ND2 3.42Å; I739-N743 VanDerWaalsContact O-CB 3.27Å; I739-N743 WeakPolarHBondContact O-CB 3.49Å; I739-N743 PolarHBondContact O-N 3.09Å; I739-N743 PolarHBondContact O-ND2 2.84Å; N743-F747 WeakPolarHBondContact O-CB 3.32Å; N743-F747 PolarHBondContact O-N 3.42Å
744K65.8Low63.3Low38 Ų3862.4 Ų62.417%0.16530%0.301CS..Hα-helixtrans-74.5-37.4178.3-154.9176.7-171.9-168.30112.8Y652 D653 D656 H740 V741 Y742 F747 W748Y652-K744 HydrophobicContact CE1-CD 4.1Å; Y652-K744 VanDerWaalsContact CE1-NZ 3.26Å; D653-K744 IonicContact OD1-NZ 3.78Å; D653-K744 PolarHBondContact OD1-NZ 3.29Å; D656-K744 WeakPolarHBondContact OD2-CD 3.29Å; D656-K744 WeakPolarHBondContact OD2-CE 3.38Å; D656-K744 IonicContact OD2-NZ 3.13Å; D656-K744 PolarHBondContact OD2-NZ 2.88Å; H740-K744 WeakPolarHBondContact O-CB 3.5Å; H740-K744 PolarHBondContact O-N 3.47Å; V741-K744 WeakPolarHBondContact O-CB 2.93Å; V741-K744 PolarHBondContact O-N 2.83Å; Y742-K744 PolarHBondContact O-N 3.12Å; K744-F747 WeakPolarHBondContact O-CB 3.49Å; K744-F747 PolarHBondContact O-N 2.84Å; K744-W748 VanDerWaalsContact O-CD1 3.25Å; K744-W748 PolarHBondContact O-N 2.95Å
745I62Low61.7Low18 Ų1865.4 Ų65.49%0.09232%0.319CS..Hα-helixtrans-64.1-47.9170.7-74.9176.4000110.4W696 V741 Y742 F747 W748 Y749 F754W696-I745 HydrophobicContact CE3-CD1 4.14Å; W696-I745 HydrophobicContact CH2-CD1 3.71Å; W696-I745 HydrophobicContact CZ3-CD1 3.2Å; W696-I745 HydrophobicContact CZ3-CG1 4.45Å; V741-I745 HydrophobicContact CG1-CD1 4.17Å; V741-I745 PolarHBondContact O-N 2.98Å; Y742-I745 PolarHBondContact O-N 3.39Å; I745-F747 PolarHBondContact O-N 3.27Å; I745-F747 VanDerWaalsContact O-N 3.16Å; I745-W748 PolarHBondContact O-N 3.46Å; I745-Y749 HydrophobicContact CB-CD2 4.36Å; I745-Y749 HydrophobicContact CG2-CD2 3.66Å; I745-Y749 HydrophobicContact CG2-CE2 4.15Å; I745-Y749 WeakPolarHBondContact O-CB 3.43Å; I745-Y749 WeakPolarHBondContact O-CD2 3.04Å; I745-Y749 PolarHBondContact O-N 2.8Å; I745-F754 HydrophobicContact CG2-CD2 3.96Å; I745-F754 HydrophobicContact CG2-CE2 4.47Å; I745-F754 HydrophobicContact CG2-CG 4.13Å
746Q57.4Low60Low125 Ų12568 Ų6858%0.58434%0.336SS*.Hα-helixtrans-56-36.2177.9-172173.8-0.700110.6Y742 Q750Y742-Q746 WeakPolarHBondContact O-CB 3.48Å; Y742-Q746 PolarHBondContact O-N 2.98Å; Q746-Q750 WeakPolarHBondContact O-CG 3.29Å; Q746-Q750 PolarHBondContact O-N 3.35Å; Q746-Q750 VanDerWaalsContact O-N 3.08Å
747F50.2Low58.3Low93 Ų9367.8 Ų67.841%0.40834%0.335SS..Hα-helixtrans-67-42.6173.7173.9-100.2000114.2Q537 N743 K744 I745Q537-F747 HydrophobicContact CG-CE1 3.94Å; Q537-F747 HydrophobicContact CG-CZ 4.2Å; Q537-F747 VanDerWaalsContact NE2-CZ 3.33Å; N743-F747 WeakPolarHBondContact O-CB 3.32Å; N743-F747 PolarHBondContact O-N 3.42Å; K744-F747 WeakPolarHBondContact O-CB 3.49Å; K744-F747 PolarHBondContact O-N 2.84Å; I745-F747 PolarHBondContact O-N 3.27Å; I745-F747 VanDerWaalsContact O-N 3.16Å
748W47.7Very low56.8Low28 Ų2869.2 Ų69.211%0.10634%0.342CS..Hα-helixtrans-73.9-29.1177.6-81.4109.8000114K533 Q537 K744 I745K533-W748 HydrophobicContact CG-CH2 3.97Å; K533-W748 HydrophobicContact CG-CZ2 4.24Å; Q537-W748 HydrophobicContact CB-CE3 4.48Å; Q537-W748 HydrophobicContact CB-CZ3 4.25Å; Q537-W748 HydrophobicContact CG-CD2 4.25Å; Q537-W748 HydrophobicContact CG-CE3 3.67Å; Q537-W748 HydrophobicContact CG-CH2 3.63Å; Q537-W748 HydrophobicContact CG-CZ2 4.21Å; Q537-W748 HydrophobicContact CG-CZ3 3.34Å; K744-W748 VanDerWaalsContact O-CD1 3.25Å; K744-W748 PolarHBondContact O-N 2.95Å; I745-W748 PolarHBondContact O-N 3.46Å
749Y49.2Very low55.5Low27 Ų2771.7 Ų71.711%0.10636%0.359CS..Hα-helixtrans-119.2-18.9-163-70.5-91.4000116.6I544 S660 I745 T751 F754 L758I544-Y749 HydrophobicContact CD1-CD1 4.21Å; I544-Y749 HydrophobicContact CD1-CE1 4.39Å; S660-Y749 WeakPolarHBondContact CA-OH 3.33Å; I745-Y749 HydrophobicContact CB-CD2 4.36Å; I745-Y749 HydrophobicContact CG2-CD2 3.66Å; I745-Y749 HydrophobicContact CG2-CE2 4.15Å; I745-Y749 WeakPolarHBondContact O-CB 3.43Å; I745-Y749 WeakPolarHBondContact O-CD2 3.04Å; I745-Y749 PolarHBondContact O-N 2.8Å; Y749-T751 PolarHBondContact O-N 3.43Å; Y749-T751 PolarHBondContact O-OG1 3.46Å; Y749-T751 VanDerWaalsContact O-OG1 3.14Å; Y749-F754 AromaticContact CD1-CD1 3.73Å; Y749-F754 HydrophobicContact CD1-CD1 3.73Å; Y749-F754 AromaticContact CD1-CE1 3.41Å; Y749-F754 HydrophobicContact CD1-CE1 3.41Å; Y749-F754 VanDerWaalsContact CD1-CE1 3.41Å; Y749-F754 HydrophobicContact CD1-CZ 4.29Å; Y749-F754 HydrophobicContact CD2-CD1 4.32Å; Y749-F754 HydrophobicContact CD2-CE1 4.31Å; Y749-F754 HydrophobicContact CE1-CD1 4.34Å; Y749-F754 HydrophobicContact CE1-CE1 4.4Å; Y749-F754 AromaticContact CG-CD1 3.73Å; Y749-F754 HydrophobicContact CG-CD1 3.73Å; Y749-F754 AromaticContact CG-CE1 3.36Å; Y749-F754 HydrophobicContact CG-CE1 3.36Å; Y749-F754 AromaticContact CG-CZ 3.84Å; Y749-F754 HydrophobicContact CG-CZ 3.84Å; Y749-F754 WeakPolarHBondContact O-CZ 3.43Å; Y749-L758 HydrophobicContact CE1-CD1 4.24Å
750Q45.6Very low54.9Low158 Ų15869.3 Ų69.374%0.73835%0.347SS*.SBendtrans30.4-13.7173.5-69.7-167.5-900122.9Q746Q746-Q750 WeakPolarHBondContact O-CG 3.29Å; Q746-Q750 PolarHBondContact O-N 3.35Å; Q746-Q750 VanDerWaalsContact O-N 3.08Å
751T39.4Very low54.3Low103 Ų10365.9 Ų65.963%0.63233%0.332SS*.SBendtrans-1420.4-159.246.50000115.5Y749Y749-T751 PolarHBondContact O-N 3.43Å; Y749-T751 PolarHBondContact O-OG1 3.46Å; Y749-T751 VanDerWaalsContact O-OG1 3.14Å
752I38.5Very low54Low51 Ų5168.6 Ų68.626%0.26235%0.349SS..SBendtrans-134.8145.9-173.4-54.3168.8000111.5I544 F754 I757I544-I752 HydrophobicContact CB-CD1 4.31Å; I544-I752 HydrophobicContact CD1-CD1 3.42Å; I544-I752 VanDerWaalsContact CD1-CD1 3.42Å; I544-I752 HydrophobicContact CG1-CD1 4.43Å; I544-I752 HydrophobicContact CG2-CD1 3.79Å; I752-F754 VanDerWaalsContact C-N 3.31Å; I752-F754 HydrophobicContact CB-CD1 4.44Å; I752-F754 HydrophobicContact CB-CE1 3.68Å; I752-F754 HydrophobicContact CB-CZ 4.09Å; I752-F754 VanDerWaalsContact O-CD2 3.24Å; I752-F754 WeakPolarHBondContact O-CD2 3.4Å; I752-F754 VanDerWaalsContact O-CE1 3.27Å; I752-F754 WeakPolarHBondContact O-CE1 3.24Å; I752-F754 WeakPolarHBondContact O-CE2 3.43Å; I752-F754 WeakPolarHBondContact O-CZ 3.46Å; I752-F754 PolarHBondContact O-N 2.89Å; I752-I757 HydrophobicContact CG2-CD1 3.51Å; I752-I757 HydrophobicContact CG2-CG1 4.47Å
753N43Very low54Low110 Ų11069.9 Ų69.959%0.58836%0.355SS*.  trans-66.987.7168.7-106.5-10.6000109.5T755 E756N753-T755 PolarHBondContact O-N 3.3Å; N753-E756 PolarHBondContact O-N 3.44Å
754F46.4Very low54.3Low42 Ų4271 Ų7118%0.18436%0.361CS..Hα-helixtrans-58.8-31.3-174.1-58.6-56.6000114.5I745 Y749 I752 E756 L758I745-F754 HydrophobicContact CG2-CD2 3.96Å; I745-F754 HydrophobicContact CG2-CE2 4.47Å; I745-F754 HydrophobicContact CG2-CG 4.13Å; Y749-F754 AromaticContact CD1-CD1 3.73Å; Y749-F754 HydrophobicContact CD1-CD1 3.73Å; Y749-F754 AromaticContact CD1-CE1 3.41Å; Y749-F754 HydrophobicContact CD1-CE1 3.41Å; Y749-F754 VanDerWaalsContact CD1-CE1 3.41Å; Y749-F754 HydrophobicContact CD1-CZ 4.29Å; Y749-F754 HydrophobicContact CD2-CD1 4.32Å; Y749-F754 HydrophobicContact CD2-CE1 4.31Å; Y749-F754 HydrophobicContact CE1-CD1 4.34Å; Y749-F754 HydrophobicContact CE1-CE1 4.4Å; Y749-F754 AromaticContact CG-CD1 3.73Å; Y749-F754 HydrophobicContact CG-CD1 3.73Å; Y749-F754 AromaticContact CG-CE1 3.36Å; Y749-F754 HydrophobicContact CG-CE1 3.36Å; Y749-F754 AromaticContact CG-CZ 3.84Å; Y749-F754 HydrophobicContact CG-CZ 3.84Å; Y749-F754 WeakPolarHBondContact O-CZ 3.43Å; I752-F754 VanDerWaalsContact C-N 3.31Å; I752-F754 HydrophobicContact CB-CD1 4.44Å; I752-F754 HydrophobicContact CB-CE1 3.68Å; I752-F754 HydrophobicContact CB-CZ 4.09Å; I752-F754 VanDerWaalsContact O-CD2 3.24Å; I752-F754 WeakPolarHBondContact O-CD2 3.4Å; I752-F754 VanDerWaalsContact O-CE1 3.27Å; I752-F754 WeakPolarHBondContact O-CE1 3.24Å; I752-F754 WeakPolarHBondContact O-CE2 3.43Å; I752-F754 WeakPolarHBondContact O-CZ 3.46Å; I752-F754 PolarHBondContact O-N 2.89Å; F754-E756 VanDerWaalsContact C-N 3.31Å; F754-E756 PolarHBondContact O-N 3.43Å; F754-L758 PolarHBondContact O-N 3.04Å
755T48.9Very low55Low63 Ų6371.7 Ų71.739%0.38737%0.367SS..Hα-helixtrans-61.6-36.1-17828.30000112.6N753 S759 T762N753-T755 PolarHBondContact O-N 3.3Å; T755-S759 PolarHBondContact O-N 2.93Å; T755-T762 HydrophobicContact CG2-CG2 4.4Å
756E46Very low55.8Low159 Ų15970.8 Ų70.874%0.74336%0.362SS*.Hα-helixtrans-80-35.3-177.4-72.8179.8176.200113.4N753 F754N753-E756 PolarHBondContact O-N 3.44Å; F754-E756 VanDerWaalsContact C-N 3.31Å; F754-E756 PolarHBondContact O-N 3.43Å
757I43.9Very low57Low113 Ų11365.8 Ų65.858%0.57934%0.339SS*.Hα-helixtrans-86.9-38.1-172.7-60.9-176.8000112.4I752I752-I757 HydrophobicContact CG2-CD1 3.51Å; I752-I757 HydrophobicContact CG2-CG1 4.47Å
758L50Low58.3Low32 Ų3264.4 Ų64.417%0.16834%0.336CS..SBendtrans-100.62-174.8-66.2170.4000112.9Y749 F754 I760Y749-L758 HydrophobicContact CE1-CD1 4.24Å; F754-L758 PolarHBondContact O-N 3.04Å; L758-I760 HydrophobicContact CB-CD1 3.51Å; L758-I760 HydrophobicContact CB-CG1 3.55Å; L758-I760 HydrophobicContact CD1-CD1 3.62Å; L758-I760 HydrophobicContact CG-CD1 4.21Å; L758-I760 PolarHBondContact O-N 3.05Å; L758-I760 VanDerWaalsContact O-N 3.11Å
759S55.6Low59.8Low52 Ų5263.4 Ų63.436%0.36433%0.333SS..  trans45.140.6-173.163.60000112.6H699 T755H699-S759 PolarHBondContact CD2-OG 3.23Å; H699-S759 PolarHBondContact NE2-O 3.09Å; H699-S759 PolarHBondContact NE2-OG 3.21Å; T755-S759 PolarHBondContact O-N 2.93Å
760I65.9Low61.1Low14 Ų1464 Ų647%0.07234%0.338CS..PPolyproline II helixtrans-79.8138179.8-65.7171.9000108.4F659 W696 L758F659-I760 HydrophobicContact CZ-CD1 4.41Å; W696-I760 HydrophobicContact CD2-CG2 3.93Å; W696-I760 HydrophobicContact CE3-CD1 4.45Å; W696-I760 HydrophobicContact CE3-CG2 4.32Å; W696-I760 HydrophobicContact CG-CG2 4.49Å; W696-I760 HydrophobicContact CH2-CG2 3.97Å; W696-I760 HydrophobicContact CZ2-CG2 3.56Å; W696-I760 HydrophobicContact CZ3-CG2 4.37Å; L758-I760 HydrophobicContact CB-CD1 3.51Å; L758-I760 HydrophobicContact CB-CG1 3.55Å; L758-I760 HydrophobicContact CD1-CD1 3.62Å; L758-I760 HydrophobicContact CG-CD1 4.21Å; L758-I760 PolarHBondContact O-N 3.05Å; L758-I760 VanDerWaalsContact O-N 3.11Å
761P65.3Low62.9Low11 Ų1158.5 Ų58.57%0.07131%0.311CS..PPolyproline II helixtrans-51.5151.7172.7-21.729.2000111.2Y742 D765 Y771 W772Y742-P761 PolarHBondContact OH-O 2.82Å; P761-D765 HydrophobicContact CB-CB 4.02Å; P761-Y771 HydrophobicContact CB-CE1 3.61Å; P761-Y771 HydrophobicContact CG-CE1 3.73Å; P761-Y771 WeakPolarHBondContact CG-OH 3.48Å; P761-W772 HydrophobicContact CG-CH2 4.18Å
762T72Confident65Low61 Ų6153.7 Ų53.737%0.37428%0.281SS..PPolyproline II helixtrans-68163.8173.472.50000111.2Y742 T755 N764 D765 S766Y742-T762 PolarHBondContact OH-O 2.71Å; T755-T762 HydrophobicContact CG2-CG2 4.4Å; T762-N764 PolarHBondContact O-N 3.37Å; T762-D765 WeakPolarHBondContact CB-OD2 3.43Å; T762-D765 WeakPolarHBondContact CG2-OD2 2.91Å; T762-D765 PolarHBondContact N-OD2 2.82Å; T762-D765 VanDerWaalsContact N-OD2 3.13Å; T762-D765 WeakPolarHBondContact O-CB 3.5Å; T762-D765 PolarHBondContact O-N 2.79Å; T762-D765 VanDerWaalsContact O-N 3.09Å; T762-D765 PolarHBondContact OG1-N 2.75Å; T762-D765 PolarHBondContact OG1-OD2 3.44Å; T762-S766 PolarHBondContact O-N 2.72Å
763F74.5Confident66.9Low71 Ų7153 Ų5331%0.31128%0.276SS..Hα-helixtrans-55.4-42.9177.3177.4-101.6000111.3A738 I739 Y742 D765 S766 I767A738-F763 HydrophobicContact CB-CD2 4.4Å; A738-F763 HydrophobicContact CB-CE2 4.12Å; I739-F763 HydrophobicContact CG1-CE2 3.92Å; I739-F763 HydrophobicContact CG1-CZ 3.68Å; Y742-F763 HydrophobicContact CD1-CB 4.38Å; Y742-F763 HydrophobicContact CD1-CD2 4.18Å; Y742-F763 AromaticContact CD2-CD2 3.61Å; Y742-F763 HydrophobicContact CD2-CD2 3.61Å; Y742-F763 HydrophobicContact CD2-CE2 4.3Å; Y742-F763 HydrophobicContact CE1-CB 4Å; Y742-F763 HydrophobicContact CE1-CD2 4.46Å; Y742-F763 HydrophobicContact CE2-CB 4.32Å; Y742-F763 AromaticContact CE2-CD2 3.91Å; Y742-F763 HydrophobicContact CE2-CD2 3.91Å; Y742-F763 AromaticContact CG-CD2 3.72Å; Y742-F763 HydrophobicContact CG-CD2 3.72Å; Y742-F763 HydrophobicContact CG-CE2 4.42Å; Y742-F763 WeakPolarHBondContact OH-CA 3.5Å; Y742-F763 PolarHBondContact OH-N 2.86Å; F763-D765 VanDerWaalsContact C-N 3.34Å; F763-D765 PolarHBondContact O-N 3.41Å; F763-S766 PolarHBondContact O-N 2.83Å; F763-S766 PolarHBondContact O-OG 3.1Å; F763-I767 HydrophobicContact CD1-CD1 3.66Å; F763-I767 HydrophobicContact CD2-CD1 4.13Å; F763-I767 HydrophobicContact CE1-CD1 3.21Å; F763-I767 HydrophobicContact CE2-CD1 3.74Å; F763-I767 HydrophobicContact CG-CD1 4.12Å; F763-I767 HydrophobicContact CZ-CD1 3.28Å; F763-I767 WeakPolarHBondContact O-CG1 3.37Å; F763-I767 PolarHBondContact O-N 3.37Å
764N73.1Confident68.6Low121 Ų12153.8 Ų53.865%0.64728%0.275SS*.Hα-helixtrans-63.7-39.6178.2-68.9-18.6000112.1T762 I767 N768T762-N764 PolarHBondContact O-N 3.37Å; N764-I767 PolarHBondContact O-N 3.05Å; N764-N768 PolarHBondContact O-N 2.98Å
765D80Confident70.2Confident53 Ų5353.1 Ų53.128%0.28327%0.273SS..Hα-helixtrans-66.6-44.1177.1-59.4-30.7000111.2P761 T762 F763 I767 N768 Y771P761-D765 HydrophobicContact CB-CB 4.02Å; T762-D765 WeakPolarHBondContact CB-OD2 3.43Å; T762-D765 WeakPolarHBondContact CG2-OD2 2.91Å; T762-D765 PolarHBondContact N-OD2 2.82Å; T762-D765 VanDerWaalsContact N-OD2 3.13Å; T762-D765 WeakPolarHBondContact O-CB 3.5Å; T762-D765 PolarHBondContact O-N 2.79Å; T762-D765 VanDerWaalsContact O-N 3.09Å; T762-D765 PolarHBondContact OG1-N 2.75Å; T762-D765 PolarHBondContact OG1-OD2 3.44Å; F763-D765 VanDerWaalsContact C-N 3.34Å; F763-D765 PolarHBondContact O-N 3.41Å; D765-I767 PolarHBondContact O-N 3.27Å; D765-I767 VanDerWaalsContact O-N 3.15Å; D765-N768 PolarHBondContact O-N 2.78Å; D765-Y771 HydrophobicContact CB-CD1 3.82Å; D765-Y771 HydrophobicContact CB-CD2 3.75Å; D765-Y771 HydrophobicContact CB-CE1 4.07Å; D765-Y771 HydrophobicContact CB-CE2 4Å; D765-Y771 HydrophobicContact CB-CG 3.66Å; D765-Y771 WeakPolarHBondContact O-CB 3.2Å; D765-Y771 WeakPolarHBondContact O-CD1 3.4Å
766S79.4Confident71.6Confident0 Ų050.1 Ų50.10%026%0.255CS..Hα-helixtrans-61.9-26.6-178.872.50000113.7Y742 T762 F763 W772Y742-S766 WeakPolarHBondContact CE2-OG 3.46Å; T762-S766 PolarHBondContact O-N 2.72Å; F763-S766 PolarHBondContact O-N 2.83Å; F763-S766 PolarHBondContact O-OG 3.1Å; S766-W772 PolarHBondContact O-NE1 2.83Å
767I81.8Confident72.9Confident19 Ų1943.1 Ų43.110%0.09722%0.223CC..Hα-helixtrans-86.8-24.1179.1-63.7171.4000111.5L734 R735 A738 F763 N764 D765 P769L734-I767 WeakPolarHBondContact CD1-O 3.31Å; R735-I767 HydrophobicContact CB-CD1 4.39Å; R735-I767 HydrophobicContact CB-CG1 4.48Å; R735-I767 HydrophobicContact CB-CG2 3.9Å; R735-I767 HydrophobicContact CG-CD1 4.09Å; R735-I767 HydrophobicContact CG-CG2 4.44Å; A738-I767 HydrophobicContact CB-CD1 4.23Å; A738-I767 HydrophobicContact CB-CG1 3.66Å; F763-I767 HydrophobicContact CD1-CD1 3.66Å; F763-I767 HydrophobicContact CD2-CD1 4.13Å; F763-I767 HydrophobicContact CE1-CD1 3.21Å; F763-I767 HydrophobicContact CE2-CD1 3.74Å; F763-I767 HydrophobicContact CG-CD1 4.12Å; F763-I767 HydrophobicContact CZ-CD1 3.28Å; F763-I767 WeakPolarHBondContact O-CG1 3.37Å; F763-I767 PolarHBondContact O-N 3.37Å; N764-I767 PolarHBondContact O-N 3.05Å; D765-I767 PolarHBondContact O-N 3.27Å; D765-I767 VanDerWaalsContact O-N 3.15Å; I767-P769 VanDerWaalsContact O-CD 3.28Å; I767-P769 WeakPolarHBondContact O-CD 3.26Å
768N79.1Confident74.5Confident64 Ų6444.2 Ų44.234%0.34223%0.225SC..  trans-84.4111.7-176.8-174.6-0000110.5N764 D765 N770 Y771N764-N768 PolarHBondContact O-N 2.98Å; D765-N768 PolarHBondContact O-N 2.78Å; N768-N770 PolarHBondContact O-N 3.47Å; N768-N770 VanDerWaalsContact OD1-CB 3.32Å; N768-N770 WeakPolarHBondContact OD1-CB 3.42Å; N768-N770 PolarHBondContact OD1-N 2.86Å; N768-Y771 WeakPolarHBondContact O-CB 3.4Å; N768-Y771 PolarHBondContact O-N 2.7Å; N768-Y771 VanDerWaalsContact O-N 3.14Å
769P77.7Confident75.7Confident7 Ų744.1 Ų44.15%0.04522%0.224CC..Hα-helixtrans-70.5-15.4179.17.64.8000113.1A727 C731 L734 I767 W773 R829A727-P769 WeakPolarHBondContact CA-O 3.37Å; A727-P769 WeakPolarHBondContact CB-O 3.46Å; A727-P769 WeakPolarHBondContact O-CB 3.44Å; C731-P769 HydrophobicContact CB-CG 4.31Å; L734-P769 HydrophobicContact CD1-CB 3.77Å; L734-P769 HydrophobicContact CD1-CG 3.71Å; I767-P769 VanDerWaalsContact O-CD 3.28Å; I767-P769 WeakPolarHBondContact O-CD 3.26Å; P769-W773 PolarHBondContact O-N 3.08Å; P769-R829 VanDerWaalsContact CB-CZ 3.47Å
770N77.3Confident76.5Confident41 Ų4143.9 Ų43.922%0.21922%0.215CC..Hα-helixtrans-68.4-37.3171.1-61.1-13.4000111.6N768 W772 W773 E774 R829 E1141N768-N770 PolarHBondContact O-N 3.47Å; N768-N770 VanDerWaalsContact OD1-CB 3.32Å; N768-N770 WeakPolarHBondContact OD1-CB 3.42Å; N768-N770 PolarHBondContact OD1-N 2.86Å; N770-W772 VanDerWaalsContact C-N 3.33Å; N770-W772 PolarHBondContact O-N 2.74Å; N770-W773 WeakPolarHBondContact O-CB 3.4Å; N770-W773 PolarHBondContact O-N 3.09Å; N770-W773 VanDerWaalsContact O-N 3.14Å; N770-E774 WeakPolarHBondContact O-CG 3.44Å; N770-E774 PolarHBondContact O-N 3.29Å; N770-R829 PolarHBondContact OD1-NH1 3.42Å; N770-R829 PolarHBondContact OD1-NH2 3.26Å; N770-E1141 PolarHBondContact OD1-OE1 2.66Å
771Y83.6Confident76.8Confident42 Ų4246.7 Ų46.717%0.16523%0.23CC..Hα-helixtrans-58.4-47.5176.2165.7-98.2000110.6P761 D765 N768 W773 E774 E775P761-Y771 HydrophobicContact CB-CE1 3.61Å; P761-Y771 HydrophobicContact CG-CE1 3.73Å; P761-Y771 WeakPolarHBondContact CG-OH 3.48Å; D765-Y771 HydrophobicContact CB-CD1 3.82Å; D765-Y771 HydrophobicContact CB-CD2 3.75Å; D765-Y771 HydrophobicContact CB-CE1 4.07Å; D765-Y771 HydrophobicContact CB-CE2 4Å; D765-Y771 HydrophobicContact CB-CG 3.66Å; D765-Y771 WeakPolarHBondContact O-CB 3.2Å; D765-Y771 WeakPolarHBondContact O-CD1 3.4Å; N768-Y771 WeakPolarHBondContact O-CB 3.4Å; N768-Y771 PolarHBondContact O-N 2.7Å; N768-Y771 VanDerWaalsContact O-N 3.14Å; Y771-W773 PolarHBondContact O-N 3.27Å; Y771-E774 PolarHBondContact O-N 3.38Å; Y771-E775 VanDerWaalsContact O-CB 3.23Å; Y771-E775 WeakPolarHBondContact O-CB 3.47Å; Y771-E775 PolarHBondContact O-N 2.88Å
772W82.5Confident76.9Confident1 Ų149 Ų490%0.00425%0.246CC..Hα-helixtrans-63.1-30.4177.9-66109000113.4A695 W696 C723 L726 A727 P761 S766 N770 A776A695-W772 HydrophobicContact CB-CH2 4.07Å; A695-W772 HydrophobicContact CB-CZ3 3.94Å; W696-W772 AromaticContact NE1-CH2 3.9Å; C723-W772 HydrophobicContact CB-CE3 4.47Å; L726-W772 HydrophobicContact CB-CB 4.12Å; L726-W772 HydrophobicContact CB-CD2 3.96Å; L726-W772 HydrophobicContact CB-CG 3.75Å; L726-W772 HydrophobicContact CD1-CD2 3.79Å; L726-W772 HydrophobicContact CD1-CE3 3.83Å; L726-W772 HydrophobicContact CD1-CG 4.48Å; L726-W772 HydrophobicContact CD1-CH2 3.9Å; L726-W772 HydrophobicContact CD1-CZ2 3.88Å; L726-W772 HydrophobicContact CD1-CZ3 3.89Å; A727-W772 HydrophobicContact CB-CB 4.09Å; P761-W772 HydrophobicContact CG-CH2 4.18Å; S766-W772 PolarHBondContact O-NE1 2.83Å; N770-W772 VanDerWaalsContact C-N 3.33Å; N770-W772 PolarHBondContact O-N 2.74Å; W772-A776 WeakPolarHBondContact O-CB 3.45Å; W772-A776 PolarHBondContact O-N 3.19Å
773W78.6Confident76.8Confident38 Ų3847.3 Ų47.314%0.14424%0.235CC..Hα-helixtrans-70.9-49.3173.8-177-88.7000111.7F724 A727 P769 N770 Y771 A776 V777 L800 F831 C1138 V1166F724-W773 AromaticContact CD1-CE3 3.8Å; F724-W773 HydrophobicContact CD1-CE3 3.8Å; F724-W773 HydrophobicContact CD1-CH2 4.47Å; F724-W773 AromaticContact CD1-CZ3 3.75Å; F724-W773 HydrophobicContact CD1-CZ3 3.75Å; F724-W773 HydrophobicContact CE1-CD2 4.31Å; F724-W773 AromaticContact CE1-CE3 3.92Å; F724-W773 HydrophobicContact CE1-CE3 3.92Å; F724-W773 HydrophobicContact CE1-CH2 4.14Å; F724-W773 AromaticContact CE1-CZ3 3.84Å; F724-W773 HydrophobicContact CE1-CZ3 3.84Å; A727-W773 HydrophobicContact CB-CB 3.94Å; A727-W773 HydrophobicContact CB-CE3 4.13Å; P769-W773 PolarHBondContact O-N 3.08Å; N770-W773 WeakPolarHBondContact O-CB 3.4Å; N770-W773 PolarHBondContact O-N 3.09Å; N770-W773 VanDerWaalsContact O-N 3.14Å; Y771-W773 PolarHBondContact O-N 3.27Å; W773-A776 PolarHBondContact O-N 3.07Å; W773-V777 WeakPolarHBondContact O-CG2 3.43Å; W773-V777 PolarHBondContact O-N 3.08Å; W773-V777 VanDerWaalsContact O-N 3.09Å; W773-L800 HydrophobicContact CZ3-CD1 3.86Å; W773-F831 HydrophobicContact CE3-CE1 4.4Å; W773-F831 HydrophobicContact CH2-CD1 4.48Å; W773-F831 HydrophobicContact CH2-CE1 4.01Å; W773-F831 AromaticContact CZ3-CE1 3.74Å; W773-F831 HydrophobicContact CZ3-CE1 3.74Å; W773-F831 HydrophobicContact CZ3-CZ 4.21Å; W773-C1138 HydrophobicContact CH2-CB 4.35Å; W773-V1166 HydrophobicContact CZ2-CG2 4.1Å
774E78.1Confident76.4Confident125 Ų12546.6 Ų46.658%0.58423%0.234SC*.Hα-helixtrans-60.1-45.9178-72.6176.9176.300111N770 Y771 A776 V777 E778N770-E774 WeakPolarHBondContact O-CG 3.44Å; N770-E774 PolarHBondContact O-N 3.29Å; Y771-E774 PolarHBondContact O-N 3.38Å; E774-A776 PolarHBondContact O-N 3.36Å; E774-V777 PolarHBondContact O-N 2.91Å; E774-E778 VanDerWaalsContact O-CB 3.32Å; E774-E778 WeakPolarHBondContact O-CB 3.49Å; E774-E778 PolarHBondContact O-N 3.3Å
775E80.3Confident75.9Confident28 Ų2845.2 Ų45.213%0.13123%0.234CC..Hα-helixtrans-57.3-45.1175.4178.665.1-162.600111.7H699 Y719 Y771 V777 F779H699-E775 IonicContact CE1-OE1 3.48Å; H699-E775 IonicContact ND1-OE1 3.89Å; Y719-E775 WeakPolarHBondContact OH-CG 3.43Å; Y719-E775 PolarHBondContact OH-OE1 3.45Å; Y771-E775 VanDerWaalsContact O-CB 3.23Å; Y771-E775 WeakPolarHBondContact O-CB 3.47Å; Y771-E775 PolarHBondContact O-N 2.88Å; E775-V777 VanDerWaalsContact C-N 3.34Å; E775-V777 PolarHBondContact O-N 2.97Å; E775-F779 WeakPolarHBondContact O-CB 3.41Å; E775-F779 PolarHBondContact O-N 2.83Å
776A79.1Confident74.8Confident0 Ų051.1 Ų51.10%025%0.253CS..Hα-helixtrans-62.3-40.7177.800000112.4I720 C723 F724 W772 W773 E774 R780I720-A776 HydrophobicContact CG2-CB 4.48Å; C723-A776 HydrophobicContact CB-CB 3.78Å; F724-A776 HydrophobicContact CD1-CB 4.1Å; F724-A776 HydrophobicContact CD2-CB 4.43Å; F724-A776 HydrophobicContact CE1-CB 3.83Å; F724-A776 HydrophobicContact CE2-CB 4.2Å; F724-A776 HydrophobicContact CG-CB 4.38Å; F724-A776 HydrophobicContact CZ-CB 3.88Å; W772-A776 WeakPolarHBondContact O-CB 3.45Å; W772-A776 PolarHBondContact O-N 3.19Å; W773-A776 PolarHBondContact O-N 3.07Å; E774-A776 PolarHBondContact O-N 3.36Å; A776-R780 VanDerWaalsContact O-CB 3.26Å; A776-R780 WeakPolarHBondContact O-CB 3.16Å; A776-R780 PolarHBondContact O-N 3.23Å
777V74.1Confident73.7Confident12 Ų1255.1 Ų55.17%0.07327%0.272CS..Hα-helixtrans-74.3-44-179.2173.50000111.4W773 E774 E775 R780 N781 V1166W773-V777 WeakPolarHBondContact O-CG2 3.43Å; W773-V777 PolarHBondContact O-N 3.08Å; W773-V777 VanDerWaalsContact O-N 3.09Å; E774-V777 PolarHBondContact O-N 2.91Å; E775-V777 VanDerWaalsContact C-N 3.34Å; E775-V777 PolarHBondContact O-N 2.97Å; V777-R780 WeakPolarHBondContact O-CB 3.48Å; V777-R780 PolarHBondContact O-N 3.07Å; V777-N781 WeakPolarHBondContact O-CB 3.36Å; V777-N781 PolarHBondContact O-N 3.35Å; V777-N781 PolarHBondContact O-ND2 3.01Å; V777-V1166 HydrophobicContact CG2-CG2 3.91Å
778E76Confident72.2Confident137 Ų13762.6 Ų62.664%0.6431%0.306SS*.Hα-helixtrans-65.3-47.5179.2-174.3172.5-178.900111E774 R780 N781 S782E774-E778 VanDerWaalsContact O-CB 3.32Å; E774-E778 WeakPolarHBondContact O-CB 3.49Å; E774-E778 PolarHBondContact O-N 3.3Å; E778-R780 VanDerWaalsContact C-N 3.32Å; E778-R780 PolarHBondContact O-N 3.17Å; E778-N781 PolarHBondContact O-N 2.88Å; E778-N781 VanDerWaalsContact O-N 3.11Å; E778-S782 WeakPolarHBondContact O-CB 3.39Å; E778-S782 PolarHBondContact O-N 3.31Å
779F75.5Confident70.5Confident30 Ų3069.3 Ų69.313%0.13233%0.328CS..Hα-helixtrans-61.7-40.4177.7-170.6-101.1000111.8C702 F707 A716 Y719 I720 E775 S782 L783C702-F779 HydrophobicContact CB-CE2 3.99Å; C702-F779 HydrophobicContact CB-CZ 3.59Å; F707-F779 AromaticContact CZ-CZ 3.96Å; F707-F779 HydrophobicContact CZ-CZ 3.96Å; A716-F779 HydrophobicContact CB-CE1 4.09Å; Y719-F779 AromaticContact CD1-CD1 3.68Å; Y719-F779 HydrophobicContact CD1-CD1 3.68Å; Y719-F779 AromaticContact CD1-CE1 3.71Å; Y719-F779 HydrophobicContact CD1-CE1 3.71Å; Y719-F779 HydrophobicContact CD1-CG 4.1Å; Y719-F779 HydrophobicContact CD1-CZ 4.21Å; Y719-F779 HydrophobicContact CE1-CB 4.39Å; Y719-F779 AromaticContact CE1-CD1 4Å; Y719-F779 HydrophobicContact CE1-CD1 4Å; Y719-F779 HydrophobicContact CE1-CD2 4.16Å; Y719-F779 HydrophobicContact CE1-CE1 4.3Å; Y719-F779 HydrophobicContact CE1-CE2 4.49Å; Y719-F779 AromaticContact CE1-CG 3.92Å; Y719-F779 HydrophobicContact CE1-CG 3.92Å; I720-F779 HydrophobicContact CD1-CD1 4.05Å; I720-F779 HydrophobicContact CD1-CE1 4.49Å; I720-F779 HydrophobicContact CG1-CD1 3.83Å; I720-F779 HydrophobicContact CG1-CE1 4.41Å; E775-F779 WeakPolarHBondContact O-CB 3.41Å; E775-F779 PolarHBondContact O-N 2.83Å; F779-S782 WeakPolarHBondContact O-CB 3.46Å; F779-S782 PolarHBondContact O-N 2.83Å; F779-L783 HydrophobicContact CD1-CD1 3.6Å; F779-L783 HydrophobicContact CE1-CD1 3.31Å; F779-L783 HydrophobicContact CE1-CG 4.33Å; F779-L783 HydrophobicContact CZ-CD1 4.01Å; F779-L783 PolarHBondContact O-N 2.92Å
780R73Confident68.7Low47 Ų4771.9 Ų71.918%0.17734%0.344CS..Hα-helixtrans-57.7-50.1170.7166.7-173.4-179.8-130.11.2112I720 A776 V777 E778 S782 L783 L784 Y795 E1165I720-R780 HydrophobicContact CD1-CB 4.46Å; A776-R780 VanDerWaalsContact O-CB 3.26Å; A776-R780 WeakPolarHBondContact O-CB 3.16Å; A776-R780 PolarHBondContact O-N 3.23Å; V777-R780 WeakPolarHBondContact O-CB 3.48Å; V777-R780 PolarHBondContact O-N 3.07Å; E778-R780 VanDerWaalsContact C-N 3.32Å; E778-R780 PolarHBondContact O-N 3.17Å; R780-S782 VanDerWaalsContact C-N 3.27Å; R780-S782 PolarHBondContact O-N 2.99Å; R780-L783 WeakPolarHBondContact O-CB 3.37Å; R780-L783 PolarHBondContact O-N 3.46Å; R780-L784 HydrophobicContact CG-CD1 4.01Å; R780-L784 PolarHBondContact O-N 3.1Å; R780-Y795 VanDerWaalsContact CD-OH 3.24Å; R780-Y795 WeakPolarHBondContact CD-OH 3.28Å; R780-Y795 WeakPolarHBondContact CG-OH 3.4Å; R780-E1165 PolarHBondContact NH1-O 3.38Å
781N71.1Confident67Low72 Ų7273.3 Ų73.339%0.38535%0.351SS..Hα-helixtrans-65.3-35.9-176.5-71.1-20.8000111.2V777 E778 L784 S785V777-N781 WeakPolarHBondContact O-CB 3.36Å; V777-N781 PolarHBondContact O-N 3.35Å; V777-N781 PolarHBondContact O-ND2 3.01Å; E778-N781 PolarHBondContact O-N 2.88Å; E778-N781 VanDerWaalsContact O-N 3.11Å; N781-L784 PolarHBondContact O-N 2.98Å; N781-S785 PolarHBondContact O-N 3.24Å
782S69.2Low65Low59 Ų5978.5 Ų78.541%0.41338%0.38SS..Hα-helixtrans-59.9-50.3171-173.90000111.1E778 F779 R780 L784 S785 Y786E778-S782 WeakPolarHBondContact O-CB 3.39Å; E778-S782 PolarHBondContact O-N 3.31Å; F779-S782 WeakPolarHBondContact O-CB 3.46Å; F779-S782 PolarHBondContact O-N 2.83Å; R780-S782 VanDerWaalsContact C-N 3.27Å; R780-S782 PolarHBondContact O-N 2.99Å; S782-L784 PolarHBondContact O-N 3.38Å; S782-S785 WeakPolarHBondContact O-CB 3.44Å; S782-S785 PolarHBondContact O-N 2.7Å; S782-S785 VanDerWaalsContact O-N 3.09Å; S782-S785 PolarHBondContact O-OG 3.03Å; S782-Y786 WeakPolarHBondContact O-CD2 3.45Å
783L69.6Low63.5Low26 Ų2683.6 Ų83.614%0.13641%0.408CS..Hα-helixtrans-58.6-41.4176.4-85.5154000113.6F707 A716 I720 F779 R780 S785 Y786 H787F707-L783 HydrophobicContact CD1-CD2 4.15Å; F707-L783 HydrophobicContact CD2-CD2 4.12Å; F707-L783 HydrophobicContact CE1-CD2 4.23Å; F707-L783 HydrophobicContact CE2-CD2 4.17Å; F707-L783 HydrophobicContact CG-CD2 4.12Å; F707-L783 HydrophobicContact CZ-CD2 4.23Å; A716-L783 HydrophobicContact CB-CD1 3.91Å; A716-L783 HydrophobicContact CB-CD2 4.44Å; I720-L783 HydrophobicContact CD1-CD1 4.07Å; F779-L783 HydrophobicContact CD1-CD1 3.6Å; F779-L783 HydrophobicContact CE1-CD1 3.31Å; F779-L783 HydrophobicContact CE1-CG 4.33Å; F779-L783 HydrophobicContact CZ-CD1 4.01Å; F779-L783 PolarHBondContact O-N 2.92Å; R780-L783 WeakPolarHBondContact O-CB 3.37Å; R780-L783 PolarHBondContact O-N 3.46Å; L783-S785 PolarHBondContact O-N 2.79Å; L783-Y786 PolarHBondContact O-N 3.49Å; L783-H787 PolarHBondContact O-N 2.95Å
784L65.9Low62.1Low57 Ų5784.3 Ų84.330%0.29842%0.418SS..Hα-helixtrans-61.2-30.9176.8-81.2167.3000112.9R780 N781 S782 Y786 I791R780-L784 HydrophobicContact CG-CD1 4.01Å; R780-L784 PolarHBondContact O-N 3.1Å; N781-L784 PolarHBondContact O-N 2.98Å; S782-L784 PolarHBondContact O-N 3.38Å; L784-Y786 VanDerWaalsContact C-N 3.33Å; L784-I791 HydrophobicContact CD2-CD1 3.6Å; L784-I791 HydrophobicContact CD2-CG1 4.24Å; L784-I791 HydrophobicContact CG-CD1 3.83Å
785S62Low61.2Low91 Ų9179.5 Ų79.564%0.63639%0.394SS*.Hα-helixtrans-70.8-28.4177.875.90000113.1N781 S782 L783N781-S785 PolarHBondContact O-N 3.24Å; S782-S785 WeakPolarHBondContact O-CB 3.44Å; S782-S785 PolarHBondContact O-N 2.7Å; S782-S785 VanDerWaalsContact O-N 3.09Å; S782-S785 PolarHBondContact O-OG 3.03Å; L783-S785 PolarHBondContact O-N 2.79Å
786Y57.9Low60.3Low178 Ų17884 Ų8470%0.69842%0.415SS*.Hα-helixtrans-87.4-37.2-179.2-78.4-82.5000113.3S782 L783 L784S782-Y786 WeakPolarHBondContact O-CD2 3.45Å; L783-Y786 PolarHBondContact O-N 3.49Å; L784-Y786 VanDerWaalsContact C-N 3.33Å
787H55Low59Low83 Ų8384.1 Ų84.138%0.38442%0.416SS..  trans-142.796.4-178.2-75.8-63.2000113.2Y713 L783 Y789 V790Y713-H787 PolarHBondContact OH-CD2 2.81Å; L783-H787 PolarHBondContact O-N 2.95Å; H787-Y789 PolarHBondContact O-N 2.85Å; H787-Y789 VanDerWaalsContact O-N 3.15Å; H787-V790 HydrophobicContact CB-CB 4.49Å; H787-V790 HydrophobicContact CB-CG2 4.18Å
788Q50.6Low58.3Low177 Ų17786.8 Ų86.883%0.82744%0.435SS*.THydrogen-bonded Turntrans-60.5-21.1173.4-78.9-179.6-17.700114
789Y43.2Very low57.5Low204 Ų20480.9 Ų80.980%0.841%0.408SS*.THydrogen-bonded Turntrans-89.1-9.2-170.5-73.2-80.1000115.6H787H787-Y789 PolarHBondContact O-N 2.85Å; H787-Y789 VanDerWaalsContact O-N 3.15Å
790V41.5Very low57.2Low62 Ų6279.5 Ų79.538%0.37640%0.402SS..SBendtrans-105.7-3.2-164.1-179.40000115.3Y713 H787Y713-V790 HydrophobicContact CD1-CG1 3.76Å; Y713-V790 HydrophobicContact CD2-CG1 3.76Å; Y713-V790 HydrophobicContact CE1-CB 4.49Å; Y713-V790 HydrophobicContact CE1-CG1 3.98Å; Y713-V790 HydrophobicContact CE1-CG2 4.49Å; Y713-V790 HydrophobicContact CE2-CG1 3.99Å; Y713-V790 HydrophobicContact CE2-CG2 4.28Å; Y713-V790 HydrophobicContact CG-CG1 3.66Å; H787-V790 HydrophobicContact CB-CB 4.49Å; H787-V790 HydrophobicContact CB-CG2 4.18Å
791I41.3Very low57.3Low71 Ų7177.3 Ų77.336%0.36439%0.394SS..  trans-10671.6175.2-44.4-171.7000110.5L784L784-I791 HydrophobicContact CD2-CD1 3.6Å; L784-I791 HydrophobicContact CD2-CG1 4.24Å; L784-I791 HydrophobicContact CG-CD1 3.83Å
792L40.7Very low57.5Low150 Ų15082.2 Ų82.279%0.78541%0.407SS*.  trans-87.8-1.5171.9-94.3163000114.2
793D50.3Low57.9Low108 Ų10880.3 Ų80.358%0.57839%0.392SS*.SBendtrans-126.3106.8171.1-72.1-36.1000110.2R717R717-D793 IonicContact NH2-OD2 3.7Å
794P50.9Low58.4Low54 Ų5484.9 Ų84.935%0.35141%0.411SS..  trans-59137.6166.922.9-31.7000110.1Q796 V1169P794-Q796 PolarHBondContact O-N 2.81Å; P794-V1169 HydrophobicContact CB-CB 4.3Å; P794-V1169 HydrophobicContact CB-CG2 3.7Å; P794-V1169 HydrophobicContact CG-CB 3.77Å; P794-V1169 HydrophobicContact CG-CG1 4.46Å; P794-V1169 HydrophobicContact CG-CG2 3.26Å
795Y59Low59Low23 Ų2383 Ų839%0.0940%0.402CS..  trans-40.1132.8-169.7-55.9-83.7000113.8I720 R780 M797 F1168 V1169I720-Y795 HydrophobicContact CB-CE1 4.15Å; I720-Y795 HydrophobicContact CD1-CE1 4.12Å; I720-Y795 HydrophobicContact CG2-CD1 4.02Å; I720-Y795 HydrophobicContact CG2-CE1 3.44Å; I720-Y795 VanDerWaalsContact CG2-CE1 3.44Å; R780-Y795 VanDerWaalsContact CD-OH 3.24Å; R780-Y795 WeakPolarHBondContact CD-OH 3.28Å; R780-Y795 WeakPolarHBondContact CG-OH 3.4Å; Y795-M797 PolarHBondContact O-N 2.9Å; Y795-F1168 CarbonylContact O-C 3.54Å; Y795-F1168 VanDerWaalsContact O-CA 3.31Å; Y795-F1168 WeakPolarHBondContact O-CA 3.38Å; Y795-V1169 PolarHBondContact O-N 2.78Å
796Q59.8Low59.8Low124 Ų12478.6 Ų78.658%0.57937%0.372SS*.BIsolated β-bridgetrans-52.9140.8172.9-71.9-172.5-12.200110.1P794 S798 P799 V1169P794-Q796 PolarHBondContact O-N 2.81Å; Q796-S798 PolarHBondContact O-N 2.92Å; Q796-P799 WeakPolarHBondContact O-CD 3.22Å; Q796-V1169 CarbonylContact C-O 3.6Å; Q796-V1169 VanDerWaalsContact CA-O 3.27Å; Q796-V1169 WeakPolarHBondContact CA-O 3.34Å
797M52.9Low60.7Low2 Ų272.9 Ų72.91%0.0135%0.352CS..SBendtrans-62.9-24.9177.6-72.6-178.668.100113.6Y795 P799 L800 F801 L823 I1134 I1136 F1168 V1169 S1170Y795-M797 PolarHBondContact O-N 2.9Å; M797-P799 VanDerWaalsContact C-N 3.31Å; M797-P799 WeakPolarHBondContact O-CD 3.49Å; M797-L800 PolarHBondContact O-N 3.22Å; M797-L800 VanDerWaalsContact O-N 3.08Å; M797-F801 CarbonylContact C-O 3.43Å; M797-F801 HydrophobicContact CB-CB 4.28Å; M797-F801 WeakPolarHBondContact CB-O 3.29Å; M797-F801 HydrophobicContact CE-CB 3.53Å; M797-F801 HydrophobicContact CE-CD2 4.48Å; M797-F801 HydrophobicContact CE-CG 4.29Å; M797-F801 CarbonylContact O-C 3.5Å; M797-F801 PolarHBondContact O-N 3.48Å; M797-L823 HydrophobicContact CE-CD1 3.4Å; M797-I1134 HydrophobicContact SD-CB 4.42Å; M797-I1134 HydrophobicContact SD-CG1 4.36Å; M797-I1134 HydrophobicContact SD-CG2 3.44Å; M797-I1134 WeakPolarHBondContact SD-CG2 3.48Å; M797-I1136 HydrophobicContact CE-CB 4.5Å; M797-I1136 HydrophobicContact CE-CD1 3.15Å; M797-I1136 HydrophobicContact CE-CG1 3.54Å; M797-I1136 HydrophobicContact SD-CD1 4.39Å; M797-I1136 HydrophobicContact SD-CG1 4.19Å; M797-F1168 HydrophobicContact CG-CB 3.84Å; M797-V1169 PolarHBondContact N-O 2.84Å; M797-V1169 VanDerWaalsContact N-O 3.12Å; M797-S1170 WeakPolarHBondContact SD-CB 3.44Å
798S58.8Low61.2Low68 Ų6869.4 Ų69.448%0.47634%0.336SS..THydrogen-bonded Turntrans-47.4-32.4-172570000117.2Q796 L800Q796-S798 PolarHBondContact O-N 2.92Å; S798-L800 VanDerWaalsContact C-N 3.35Å; S798-L800 PolarHBondContact O-N 3.36Å
799P60.4Low61.7Low12 Ų1266.2 Ų66.28%0.07832%0.321CS..THydrogen-bonded Turntrans-61.2-39.1177.6-24.736.8000113.4Q721 F724 I725 Q796 M797Q721-P799 HydrophobicContact CB-CG 4.34Å; Q721-P799 HydrophobicContact CG-CG 4.15Å; F724-P799 HydrophobicContact CB-CB 4.19Å; I725-P799 HydrophobicContact CG1-CB 3.9Å; Q796-P799 WeakPolarHBondContact O-CD 3.22Å; M797-P799 VanDerWaalsContact C-N 3.31Å; M797-P799 WeakPolarHBondContact O-CD 3.49Å
800L68.7Low62.3Low1 Ų158.3 Ų58.31%0.00530%0.302CS..THydrogen-bonded Turntrans-122.2-32.4-171.1-70.4176.2000113.4F724 W773 M797 S798 N826 F831 F1168F724-L800 HydrophobicContact CB-CD1 4.37Å; F724-L800 HydrophobicContact CB-CG 4.4Å; F724-L800 HydrophobicContact CD1-CD1 4.38Å; F724-L800 WeakPolarHBondContact O-CD2 3.44Å; W773-L800 HydrophobicContact CZ3-CD1 3.86Å; M797-L800 PolarHBondContact O-N 3.22Å; M797-L800 VanDerWaalsContact O-N 3.08Å; S798-L800 VanDerWaalsContact C-N 3.35Å; S798-L800 PolarHBondContact O-N 3.36Å; L800-N826 PolarHBondContact O-N 2.91Å; L800-F831 HydrophobicContact CD1-CZ 4.21Å; L800-F831 HydrophobicContact CD2-CZ 4.43Å; L800-F1168 HydrophobicContact CD1-CE1 4.1Å; L800-F1168 HydrophobicContact CD1-CE2 4.04Å; L800-F1168 HydrophobicContact CD1-CZ 3.53Å
801F74.5Confident62.7Low1 Ų157.6 Ų57.60%0.00430%0.297CS..EExtended strand (participates in β ladder)trans-131.7131.3-171.2-50.1-68.5000110.7M797 L823 K824 S825 F831 I1112 I1136 F1168M797-F801 CarbonylContact C-O 3.43Å; M797-F801 HydrophobicContact CB-CB 4.28Å; M797-F801 WeakPolarHBondContact CB-O 3.29Å; M797-F801 HydrophobicContact CE-CB 3.53Å; M797-F801 HydrophobicContact CE-CD2 4.48Å; M797-F801 HydrophobicContact CE-CG 4.29Å; M797-F801 CarbonylContact O-C 3.5Å; M797-F801 PolarHBondContact O-N 3.48Å; F801-L823 HydrophobicContact CB-CD1 4.08Å; F801-L823 HydrophobicContact CB-CD2 4.3Å; F801-L823 HydrophobicContact CB-CG 4.32Å; F801-L823 HydrophobicContact CD1-CD2 4.08Å; F801-L823 HydrophobicContact CG-CD2 4.35Å; F801-K824 CarbonylContact C-O 3.48Å; F801-K824 WeakPolarHBondContact CA-O 3.37Å; F801-S825 WeakPolarHBondContact CE1-OG 3.32Å; F801-F831 AromaticContact CE1-CD2 3.74Å; F801-F831 HydrophobicContact CE1-CD2 3.74Å; F801-F831 HydrophobicContact CE1-CE2 4.08Å; F801-F831 AromaticContact CZ-CD2 3.56Å; F801-F831 HydrophobicContact CZ-CD2 3.56Å; F801-F831 AromaticContact CZ-CE2 3.89Å; F801-F831 HydrophobicContact CZ-CE2 3.89Å; F801-F831 HydrophobicContact CZ-CG 4.19Å; F801-I1112 HydrophobicContact CD1-CG2 4.1Å; F801-I1112 HydrophobicContact CE1-CB 4.42Å; F801-I1112 HydrophobicContact CE1-CD1 4.18Å; F801-I1112 HydrophobicContact CE1-CG2 3.73Å; F801-I1112 HydrophobicContact CZ-CD1 4.43Å; F801-I1136 HydrophobicContact CD2-CD1 4.38Å; F801-I1136 HydrophobicContact CD2-CG2 4.45Å; F801-I1136 HydrophobicContact CE2-CG2 4.1Å; F801-I1136 HydrophobicContact CG-CD1 4.35Å; F801-F1168 HydrophobicContact CD2-CD2 4.29Å; F801-F1168 HydrophobicContact CD2-CG 4.37Å; F801-F1168 AromaticContact CE2-CD2 3.82Å; F801-F1168 HydrophobicContact CE2-CD2 3.82Å; F801-F1168 HydrophobicContact CE2-CE2 4.09Å; F801-F1168 HydrophobicContact CE2-CG 4.35Å
802R75.5Confident63.1Low175 Ų17556.2 Ų56.266%0.6629%0.293SS*.EExtended strand (participates in β ladder)trans-119.7123.3174.6-174.2174.7179.41740.4109.6K804 K824R802-K804 PolarHBondContact O-N 2.81Å; R802-K824 HydrophobicContact CB-CB 4.46Å; R802-K824 PolarHBondContact N-O 3.21Å; R802-K824 WeakPolarHBondContact O-CB 3.37Å; R802-K824 PolarHBondContact O-N 3.14Å
803L77.3Confident63.1Low20 Ų2058 Ų5811%0.10530%0.304CS..EExtended strand (participates in β ladder)trans-71.9121.3173-162.271.5000109I806 I821 L823 I1134 I1172 V1176L803-I806 HydrophobicContact CD2-CD1 4.1Å; L803-I806 HydrophobicContact CD2-CG1 4.26Å; L803-I821 HydrophobicContact CD1-CG2 3.38Å; L803-L823 HydrophobicContact CD1-CD1 4.19Å; L803-I1134 HydrophobicContact CD1-CD1 4Å; L803-I1134 HydrophobicContact CD2-CG2 4.49Å; L803-I1172 HydrophobicContact CD2-CB 4.48Å; L803-I1172 HydrophobicContact CD2-CG1 3.95Å; L803-I1172 HydrophobicContact CD2-CG2 4.28Å; L803-V1176 HydrophobicContact CB-CG1 4.33Å; L803-V1176 HydrophobicContact CD2-CB 4.42Å; L803-V1176 HydrophobicContact CD2-CG1 3.8Å; L803-V1176 HydrophobicContact CD2-CG2 4.49Å; L803-V1176 HydrophobicContact CG-CG1 3.73Å
804K80.7Confident62.9Low121 Ų12156.9 Ų56.953%0.52630%0.304SS..EExtended strand (participates in β ladder)trans-98.7-47.7-175.5-176.5-177.2173.4-166.60112.6R802 Q822 L1116R802-K804 PolarHBondContact O-N 2.81Å; K804-Q822 HydrophobicContact CB-CB 4.23Å; K804-Q822 WeakPolarHBondContact CB-O 3.4Å; K804-Q822 PolarHBondContact N-O 2.82Å; K804-L1116 HydrophobicContact CB-CD2 4.21Å; K804-L1116 HydrophobicContact CD-CD1 4.23Å; K804-L1116 HydrophobicContact CD-CD2 3.48Å; K804-L1116 VanDerWaalsContact CD-CD2 3.48Å; K804-L1116 HydrophobicContact CG-CD2 4.46Å
805S78.1Confident63Low17 Ų1755.5 Ų55.512%0.11930%0.299CS..EExtended strand (participates in β ladder)trans-154.5152.5177.164.20000112.5Q822 V1176S805-Q822 PolarHBondContact O-N 3.39Å; S805-Q822 VanDerWaalsContact OG-CD 3.22Å; S805-Q822 WeakPolarHBondContact OG-CG 3.31Å; S805-V1176 CarbonylContact C-O 3.49Å; S805-V1176 WeakPolarHBondContact CA-O 3.32Å
806I77.8Confident63.1Low0 Ų058.3 Ų58.30%031%0.31CS..EExtended strand (participates in β ladder)trans-121.4114.9169-53.6-164000109.1L803 I819 F820 I821 P1131 I1172 V1176 F1177 G1178 W1181L803-I806 HydrophobicContact CD2-CD1 4.1Å; L803-I806 HydrophobicContact CD2-CG1 4.26Å; I806-I819 HydrophobicContact CG2-CG2 3.45Å; I806-I819 VanDerWaalsContact CG2-CG2 3.45Å; I806-F820 CarbonylContact C-O 3.59Å; I806-F820 WeakPolarHBondContact CA-O 3.29Å; I806-I821 HydrophobicContact CD1-CG1 4.19Å; I806-I821 HydrophobicContact CG1-CG1 3.99Å; I806-I821 HydrophobicContact CG2-CG1 4.32Å; I806-P1131 HydrophobicContact CD1-CG 4.35Å; I806-P1131 HydrophobicContact CG2-CG 4.5Å; I806-I1172 HydrophobicContact CD1-CB 4.39Å; I806-I1172 HydrophobicContact CD1-CD1 3.75Å; I806-I1172 HydrophobicContact CD1-CG1 4.14Å; I806-I1172 HydrophobicContact CD1-CG2 3.39Å; I806-I1172 HydrophobicContact CG1-CG2 4.43Å; I806-V1176 HydrophobicContact CG1-CG1 4.11Å; I806-V1176 PolarHBondContact N-O 2.87Å; I806-F1177 HydrophobicContact CB-CD1 4.3Å; I806-F1177 HydrophobicContact CG2-CD1 4.4Å; I806-F1177 HydrophobicContact CG2-CE1 4.46Å; I806-G1178 PolarHBondContact O-N 3.11Å; I806-W1181 PolarHBondContact O-NE1 3.21Å
807E77.8Confident63.6Low58 Ų5852.5 Ų52.527%0.27128%0.283SS..EExtended strand (participates in β ladder)trans-108.3134.5179.9-69.6159.2-160.100109.9F820 Q822 K1118E807-F820 HydrophobicContact CB-CB 4.33Å; E807-F820 PolarHBondContact N-O 2.67Å; E807-F820 PolarHBondContact O-N 3.03Å; E807-Q822 PolarHBondContact OE1-NE2 2.98Å; E807-K1118 IonicContact OE2-NZ 3.64Å; E807-K1118 PolarHBondContact OE2-NZ 3.36Å; E807-K1118 VanDerWaalsContact OE2-NZ 3.11Å
808L66.3Low64.6Low9 Ų953.8 Ų53.85%0.04729%0.29CS..EExtended strand (participates in β ladder)trans-88.1127.8165.4-159.5116.4000109.1Q817 F1128 S1180 W1181 M1186L808-Q817 HydrophobicContact CD1-CG 3.67Å; L808-Q817 HydrophobicContact CG-CG 4.41Å; L808-F1128 HydrophobicContact CD1-CE2 3.99Å; L808-S1180 PolarHBondContact N-OG 3.34Å; L808-S1180 WeakPolarHBondContact O-CB 3.2Å; L808-S1180 PolarHBondContact O-OG 2.82Å; L808-W1181 HydrophobicContact CB-CD2 4.31Å; L808-W1181 HydrophobicContact CB-CZ2 4.15Å; L808-W1181 HydrophobicContact CD1-CD2 4.37Å; L808-W1181 HydrophobicContact CD1-CE3 4.46Å; L808-W1181 HydrophobicContact CD1-CH2 3.61Å; L808-W1181 HydrophobicContact CD1-CZ2 3.46Å; L808-W1181 VanDerWaalsContact CD1-CZ2 3.46Å; L808-W1181 HydrophobicContact CD1-CZ3 4.14Å; L808-W1181 HydrophobicContact CG-CZ2 4.45Å; L808-M1186 HydrophobicContact CB-CE 4.43Å; L808-M1186 HydrophobicContact CD2-CE 3.2Å; L808-M1186 HydrophobicContact CD2-SD 4.2Å; L808-M1186 HydrophobicContact CG-CE 4.38Å
809E60.8Low65.5Low111 Ų11150.6 Ų50.652%0.51927%0.267SS..EExtended strand (participates in β ladder)trans-108.2143.8163.5-165173.5-135.700106.9L818 F820E809-L818 HydrophobicContact CB-CD2 4.24Å; E809-L818 PolarHBondContact N-O 3.29Å; E809-L818 VanDerWaalsContact N-O 3.17Å; E809-L818 WeakPolarHBondContact OE2-CD2 3.46Å; E809-F820 HydrophobicContact CB-CD2 4Å; E809-F820 HydrophobicContact CB-CE2 3.55Å; E809-F820 HydrophobicContact CG-CE2 4.23Å; E809-F820 WeakPolarHBondContact OE2-CE2 3.36Å; E809-F820 VanDerWaalsContact OE2-CZ 3.25Å; E809-F820 WeakPolarHBondContact OE2-CZ 3.37Å
810G55.4Low66.6Low38 Ų3851.7 Ų51.739%0.39227%0.271SS..PPolyproline II helixtrans-47.1161.4-165.300000115.9C812G810-C812 PolarHBondContact O-N 3.24Å
811V50.8Low67.3Low47 Ų4751.6 Ų51.629%0.28527%0.271SS..PPolyproline II helixtrans-58.8128.3178.8171.90000109.9Y816 L1190V811-Y816 WeakPolarHBondContact CA-O 3.49Å; V811-L1190 HydrophobicContact CB-CD2 3.97Å; V811-L1190 HydrophobicContact CG2-CD1 4.47Å; V811-L1190 HydrophobicContact CG2-CD2 3.3Å
812C48.4Very low67.8Low42 Ų4253.4 Ų53.428%0.28428%0.279SS..PPolyproline II helixtrans-55.1156.8176.373.90000109.7G810 C814 G815 Y816G810-C812 PolarHBondContact O-N 3.24Å; C812-C814 WeakPolarHBondContact CB-SG 3.39Å; C812-C814 PolarHBondContact O-N 3.47Å; C812-C814 WeakPolarHBondContact SG-CB 3.41Å; C812-C814 PolarHBondContact SG-N 2.99Å; C812-C814 VanDerWaalsContact SG-N 3.41Å; C812-C814 CovalentContact SG-SG 2.07Å; C812-C814 PolarHBondContact SG-SG 3.26Å; C812-G815 PolarHBondContact O-N 2.92Å; C812-Y816 PolarHBondContact N-O 3.46Å; C812-Y816 VanDerWaalsContact SG-CB 3.55Å; C812-Y816 PolarHBondContact SG-N 2.84Å
813N41.6Very low68.1Low187 Ų18745 Ų45100%125%0.247SC*.THydrogen-bonded Turntrans-51.3-16.9175.6-67.7-14.3000113.9
814C46.4Very low68.3Low85 Ų8548.7 Ų48.757%0.57426%0.262SS*.THydrogen-bonded Turntrans-90.2-6.4177.832.60000116.5C812 Y816C812-C814 WeakPolarHBondContact CB-SG 3.39Å; C812-C814 PolarHBondContact O-N 3.47Å; C812-C814 WeakPolarHBondContact SG-CB 3.41Å; C812-C814 PolarHBondContact SG-N 2.99Å; C812-C814 VanDerWaalsContact SG-N 3.41Å; C812-C814 CovalentContact SG-SG 2.07Å; C812-C814 PolarHBondContact SG-SG 3.26Å; C814-Y816 HydrophobicContact CB-CD2 3.69Å; C814-Y816 HydrophobicContact CB-CE2 3.93Å
815G52.7Low68.3Low25 Ų2543.1 Ų43.126%0.25824%0.239SC..SBendtrans935.9-179.600000116.2C812 P1126 G1127C812-G815 PolarHBondContact O-N 2.92Å; G815-P1126 WeakPolarHBondContact O-CA 3.41Å; G815-G1127 PolarHBondContact O-N 3.22Å
816Y61.3Low68Low81 Ų8146.1 Ų46.132%0.31825%0.253SS..  trans-98.8142.2179.4-56.6-87.7000112.5V811 C812 C814 A1123 P1126V811-Y816 WeakPolarHBondContact CA-O 3.49Å; C812-Y816 PolarHBondContact N-O 3.46Å; C812-Y816 VanDerWaalsContact SG-CB 3.55Å; C812-Y816 PolarHBondContact SG-N 2.84Å; C814-Y816 HydrophobicContact CB-CD2 3.69Å; C814-Y816 HydrophobicContact CB-CE2 3.93Å; Y816-A1123 WeakPolarHBondContact CD1-O 3.46Å; Y816-P1126 HydrophobicContact CD1-CB 4.35Å; Y816-P1126 HydrophobicContact CE1-CB 4.22Å; Y816-P1126 VanDerWaalsContact CE1-CD 3.49Å; Y816-P1126 HydrophobicContact CE1-CG 4.33Å
817Q69.1Low67.7Low2 Ų246.2 Ų46.21%0.00925%0.254CS..  trans-79134.1179.4-176.4-175.52.500111.6L808 I819 I1122 A1123 L1129L808-Q817 HydrophobicContact CD1-CG 3.67Å; L808-Q817 HydrophobicContact CG-CG 4.41Å; Q817-I819 HydrophobicContact CG-CG1 4.18Å; Q817-I1122 WeakPolarHBondContact O-CA 3.34Å; Q817-A1123 HydrophobicContact CB-CB 3.91Å; Q817-A1123 PolarHBondContact O-N 3.49Å; Q817-L1129 PolarHBondContact NE2-O 3.21Å; Q817-L1129 PolarHBondContact OE1-O 2.89Å; Q817-L1129 VanDerWaalsContact OE1-O 3.05Å
818L73.7Confident67.3Low30 Ų3046.7 Ų46.716%0.15726%0.258CS..EExtended strand (participates in β ladder)trans-105.7126.7173.5-163.278000110.1E809 F820 F1121 I1122E809-L818 HydrophobicContact CB-CD2 4.24Å; E809-L818 PolarHBondContact N-O 3.29Å; E809-L818 VanDerWaalsContact N-O 3.17Å; E809-L818 WeakPolarHBondContact OE2-CD2 3.46Å; L818-F820 HydrophobicContact CD2-CE2 3.46Å; L818-F820 VanDerWaalsContact CD2-CE2 3.46Å; L818-F820 HydrophobicContact CD2-CZ 3.55Å; L818-F820 HydrophobicContact CG-CE2 4.05Å; L818-F820 HydrophobicContact CG-CZ 4.33Å; L818-F1121 WeakPolarHBondContact CA-O 3.15Å; L818-I1122 HydrophobicContact CD1-CD1 4.26Å; L818-I1122 HydrophobicContact CD1-CG1 3.38Å
819I78.6Confident67.4Low0 Ų048 Ų480%026%0.262CS..EExtended strand (participates in β ladder)trans-118.6129.8179.4-57.6-177.8000109.3I806 Q817 I821 F1101 S1120 F1121 P1131I806-I819 HydrophobicContact CG2-CG2 3.45Å; I806-I819 VanDerWaalsContact CG2-CG2 3.45Å; Q817-I819 HydrophobicContact CG-CG1 4.18Å; I819-I821 HydrophobicContact CG2-CG1 4.4Å; I819-F1101 HydrophobicContact CD1-CD1 3.87Å; I819-F1101 HydrophobicContact CD1-CE1 3.26Å; I819-F1101 HydrophobicContact CD1-CZ 3.64Å; I819-F1101 HydrophobicContact CG1-CE1 4.25Å; I819-S1120 CarbonylContact O-C 3.52Å; I819-S1120 WeakPolarHBondContact O-CA 3.42Å; I819-F1121 HydrophobicContact CB-CB 4.49Å; I819-F1121 PolarHBondContact N-O 2.91Å; I819-F1121 PolarHBondContact O-N 3.17Å; I819-P1131 HydrophobicContact CD1-CB 4.48Å; I819-P1131 HydrophobicContact CD1-CG 4.19Å
820F82.5Confident67.9Low35 Ų3543.8 Ų43.815%0.15424%0.244CC..EExtended strand (participates in β ladder)trans-105.9133.6168.4-66.7-86.6000111.4I806 E807 E809 L818 K1118 L1119I806-F820 CarbonylContact C-O 3.59Å; I806-F820 WeakPolarHBondContact CA-O 3.29Å; E807-F820 HydrophobicContact CB-CB 4.33Å; E807-F820 PolarHBondContact N-O 2.67Å; E807-F820 PolarHBondContact O-N 3.03Å; E809-F820 HydrophobicContact CB-CD2 4Å; E809-F820 HydrophobicContact CB-CE2 3.55Å; E809-F820 HydrophobicContact CG-CE2 4.23Å; E809-F820 WeakPolarHBondContact OE2-CE2 3.36Å; E809-F820 VanDerWaalsContact OE2-CZ 3.25Å; E809-F820 WeakPolarHBondContact OE2-CZ 3.37Å; L818-F820 HydrophobicContact CD2-CE2 3.46Å; L818-F820 VanDerWaalsContact CD2-CE2 3.46Å; L818-F820 HydrophobicContact CD2-CZ 3.55Å; L818-F820 HydrophobicContact CG-CE2 4.05Å; L818-F820 HydrophobicContact CG-CZ 4.33Å; F820-K1118 HydrophobicContact CD1-CD 4.39Å; F820-K1118 VanDerWaalsContact CD1-CE 3.41Å; F820-K1118 HydrophobicContact CD1-CG 4.26Å; F820-L1119 CarbonylContact C-O 3.49Å; F820-L1119 VanDerWaalsContact CA-O 3.31Å; F820-L1119 WeakPolarHBondContact CA-O 3.24Å
821I83.8Confident68.9Low0 Ų042 Ų420%023%0.226CC..EExtended strand (participates in β ladder)trans-115.2130.1174.5-77.7155.8000109.6L803 I806 I819 L823 I837 K1118 L1119 F1121 I1134L803-I821 HydrophobicContact CD1-CG2 3.38Å; I806-I821 HydrophobicContact CD1-CG1 4.19Å; I806-I821 HydrophobicContact CG1-CG1 3.99Å; I806-I821 HydrophobicContact CG2-CG1 4.32Å; I819-I821 HydrophobicContact CG2-CG1 4.4Å; I821-L823 HydrophobicContact CG2-CB 4.4Å; I821-I837 HydrophobicContact CD1-CD1 3.16Å; I821-I837 HydrophobicContact CD1-CG1 3.96Å; I821-K1118 CarbonylContact O-C 3.48Å; I821-K1118 WeakPolarHBondContact O-CA 3.39Å; I821-L1119 PolarHBondContact N-O 3.3Å; I821-L1119 PolarHBondContact O-N 2.89Å; I821-F1121 HydrophobicContact CD1-CD2 3.93Å; I821-F1121 HydrophobicContact CD1-CE2 3.79Å; I821-I1134 HydrophobicContact CD1-CD1 4.34Å; I821-I1134 HydrophobicContact CG2-CD1 4.35Å
822Q84.6Confident70.2Confident38 Ų3843 Ų4318%0.17823%0.227CC..EExtended strand (participates in β ladder)trans-97.1107.1165.9-61.5-170.61600109.5K804 S805 E807 N1117K804-Q822 HydrophobicContact CB-CB 4.23Å; K804-Q822 WeakPolarHBondContact CB-O 3.4Å; K804-Q822 PolarHBondContact N-O 2.82Å; S805-Q822 PolarHBondContact O-N 3.39Å; S805-Q822 VanDerWaalsContact OG-CD 3.22Å; S805-Q822 WeakPolarHBondContact OG-CG 3.31Å; E807-Q822 PolarHBondContact OE1-NE2 2.98Å; Q822-N1117 CarbonylContact C-O 3.56Å; Q822-N1117 WeakPolarHBondContact CA-O 3.46Å
823L83.3Confident71.8Confident0 Ų041 Ų410%021%0.213CC..EExtended strand (participates in β ladder)trans-102.4118.5176-171.579000110.4M797 F801 L803 I821 I1112 N1117 I1136M797-L823 HydrophobicContact CE-CD1 3.4Å; F801-L823 HydrophobicContact CB-CD1 4.08Å; F801-L823 HydrophobicContact CB-CD2 4.3Å; F801-L823 HydrophobicContact CB-CG 4.32Å; F801-L823 HydrophobicContact CD1-CD2 4.08Å; F801-L823 HydrophobicContact CG-CD2 4.35Å; L803-L823 HydrophobicContact CD1-CD1 4.19Å; I821-L823 HydrophobicContact CG2-CB 4.4Å; L823-I1112 HydrophobicContact CD2-CD1 3.89Å; L823-I1112 HydrophobicContact CD2-CG1 4.48Å; L823-I1112 HydrophobicContact CD2-CG2 4.1Å; L823-N1117 PolarHBondContact N-O 3.39Å; L823-N1117 PolarHBondContact O-N 2.9Å; L823-N1117 PolarHBondContact O-ND2 3.44Å; L823-I1136 HydrophobicContact CD1-CD1 4.07Å; L823-I1136 HydrophobicContact CD2-CD1 3.3Å; L823-I1136 HydrophobicContact CG-CD1 4.31Å
824K81Confident73.6Confident97 Ų9732.6 Ų32.642%0.42217%0.169SC..EExtended strand (participates in β ladder)trans-88.3115.1172.2-170.8-179.7177.2-176.40109.8F801 R802 G1115 L1116F801-K824 CarbonylContact C-O 3.48Å; F801-K824 WeakPolarHBondContact CA-O 3.37Å; R802-K824 HydrophobicContact CB-CB 4.46Å; R802-K824 PolarHBondContact N-O 3.21Å; R802-K824 WeakPolarHBondContact O-CB 3.37Å; R802-K824 PolarHBondContact O-N 3.14Å; K824-G1115 CarbonylContact C-O 3.56Å; K824-G1115 WeakPolarHBondContact CA-O 3.37Å; K824-L1116 HydrophobicContact CB-CD2 3.82Å; K824-L1116 HydrophobicContact CG-CD2 4.23Å
825S80.4Confident75.3Confident4 Ų428.7 Ų28.73%0.02814%0.142CC..EExtended strand (participates in β ladder)trans-80.5119.3166-154.40000108.9F801 S827 K1113 G1115F801-S825 WeakPolarHBondContact CE1-OG 3.32Å; S825-S827 PolarHBondContact OG-OG 2.69Å; S825-K1113 VanDerWaalsContact CB-O 3.22Å; S825-K1113 WeakPolarHBondContact CB-O 3.42Å; S825-G1115 PolarHBondContact N-O 3.4Å; S825-G1115 PolarHBondContact O-N 3.09Å; S825-G1115 VanDerWaalsContact O-N 3.07Å
826N72.3Confident76.6Confident80 Ų8031.3 Ų31.343%0.42815%0.148SC..  trans-79.5-10.9171.3-66.7-21.8000111.7L800L800-N826 PolarHBondContact O-N 2.91Å
827S70.5Confident77.6Confident1 Ų127.8 Ų27.81%0.00713%0.134CC..SBendtrans-71.4145.5172.567.60000111.8G728 S825 R829 F831 P1114G728-S827 WeakPolarHBondContact O-CA 3.21Å; S825-S827 PolarHBondContact OG-OG 2.69Å; S827-R829 PolarHBondContact OG-O 2.97Å; S827-F831 VanDerWaalsContact CB-CE2 3.47Å; S827-F831 WeakPolarHBondContact OG-CE2 3.36Å; S827-P1114 WeakPolarHBondContact O-CA 3.29Å; S827-P1114 VanDerWaalsContact O-CB 3.24Å; S827-P1114 WeakPolarHBondContact O-CB 3.25Å
828D69Low78.1Confident69 Ų6929.4 Ų29.437%0.36915%0.146SC..SBendtrans-82.80.4163.8-78.6-46000112.6G728 K730 P1114G728-D828 PolarHBondContact O-N 2.87Å; K730-D828 HydrophobicContact CD-CB 4.44Å; K730-D828 WeakPolarHBondContact CD-OD2 3.35Å; K730-D828 VanDerWaalsContact CE-CG 3.44Å; K730-D828 WeakPolarHBondContact CE-OD2 3.33Å; K730-D828 HydrophobicContact CG-CB 3.83Å; K730-D828 WeakPolarHBondContact CG-OD2 3.35Å; K730-D828 IonicContact NZ-OD1 3.51Å; K730-D828 PolarHBondContact NZ-OD1 2.76Å; K730-D828 IonicContact NZ-OD2 2.75Å; K730-D828 PolarHBondContact NZ-OD2 2.83Å; D828-P1114 WeakPolarHBondContact O-CG 3.31Å
829R68.8Low78.3Confident35 Ų3528.6 Ų28.613%0.13215%0.145CC..SBendtrans-101155.2179.3-62.9178.1171.2-151.2-18.9112.8A727 P769 N770 S827 F831 E1141A727-R829 VanDerWaalsContact O-CD 3.31Å; A727-R829 WeakPolarHBondContact O-CD 3.2Å; A727-R829 PolarHBondContact O-NE 2.78Å; A727-R829 VanDerWaalsContact O-NE 3.08Å; P769-R829 VanDerWaalsContact CB-CZ 3.47Å; N770-R829 PolarHBondContact OD1-NH1 3.42Å; N770-R829 PolarHBondContact OD1-NH2 3.26Å; S827-R829 PolarHBondContact OG-O 2.97Å; R829-F831 HydrophobicContact CB-CZ 4.25Å; R829-E1141 WeakPolarHBondContact CD-OE1 3.22Å; R829-E1141 IonicContact CZ-OE1 3.29Å; R829-E1141 IonicContact NE-OE1 3.46Å; R829-E1141 IonicContact NH1-OE1 3.69Å; R829-E1141 PolarHBondContact NH1-OE1 3.05Å; R829-E1141 IonicContact NH1-OE2 2.98Å; R829-E1141 PolarHBondContact NH1-OE2 2.9Å; R829-E1141 IonicContact NH2-OE1 2.74Å
830T71.2Confident78.1Confident23 Ų2330.1 Ų30.114%0.14116%0.155CC..  trans-98.8128.1172.957.60000111.1I1112 K1113 I1142T830-I1112 CarbonylContact C-O 3.57Å; T830-I1112 VanDerWaalsContact CA-O 3.28Å; T830-I1112 WeakPolarHBondContact CA-O 3.33Å; T830-K1113 HydrophobicContact CG2-CB 4.33Å; T830-K1113 HydrophobicContact CG2-CG 4.05Å; T830-I1142 PolarHBondContact OG1-O 3.44Å
831F76.7Confident77.2Confident2 Ų235.7 Ų35.71%0.00918%0.182CC..EExtended strand (participates in β ladder)trans-109.1140.2179.6-60-77.2000111.3W773 L800 F801 S827 R829 M1111 I1112W773-F831 HydrophobicContact CE3-CE1 4.4Å; W773-F831 HydrophobicContact CH2-CD1 4.48Å; W773-F831 HydrophobicContact CH2-CE1 4.01Å; W773-F831 AromaticContact CZ3-CE1 3.74Å; W773-F831 HydrophobicContact CZ3-CE1 3.74Å; W773-F831 HydrophobicContact CZ3-CZ 4.21Å; L800-F831 HydrophobicContact CD1-CZ 4.21Å; L800-F831 HydrophobicContact CD2-CZ 4.43Å; F801-F831 AromaticContact CE1-CD2 3.74Å; F801-F831 HydrophobicContact CE1-CD2 3.74Å; F801-F831 HydrophobicContact CE1-CE2 4.08Å; F801-F831 AromaticContact CZ-CD2 3.56Å; F801-F831 HydrophobicContact CZ-CD2 3.56Å; F801-F831 AromaticContact CZ-CE2 3.89Å; F801-F831 HydrophobicContact CZ-CE2 3.89Å; F801-F831 HydrophobicContact CZ-CG 4.19Å; S827-F831 VanDerWaalsContact CB-CE2 3.47Å; S827-F831 WeakPolarHBondContact OG-CE2 3.36Å; R829-F831 HydrophobicContact CB-CZ 4.25Å; F831-M1111 WeakPolarHBondContact O-CA 3.3Å; F831-I1112 PolarHBondContact N-O 2.94Å; F831-I1112 PolarHBondContact O-N 3.29Å
832K78.7Confident76.2Confident68 Ų6836.8 Ų36.830%0.29619%0.189SC..EExtended strand (participates in β ladder)trans-88.6114.2163.1-173.6179.7179.9-177.60108.1F1109 M1111 L1139 D1140K832-F1109 HydrophobicContact CG-CB 4.23Å; K832-M1111 HydrophobicContact CB-CE 4.4Å; K832-M1111 HydrophobicContact CB-SD 3.77Å; K832-M1111 HydrophobicContact CG-SD 4.02Å; K832-L1139 PolarHBondContact O-N 3.06Å; K832-D1140 PolarHBondContact N-O 3.36Å; K832-D1140 VanDerWaalsContact N-O 3.11Å
833A81.5Confident74.9Confident0 Ų037.3 Ų37.30%020%0.197CC..EExtended strand (participates in β ladder)trans-135.1146.1-175.600000112.6V1110 I1112 I1136 N1137A833-V1110 PolarHBondContact N-O 3.08Å; A833-V1110 PolarHBondContact O-N 3.12Å; A833-I1112 HydrophobicContact CB-CD1 3.75Å; A833-I1112 HydrophobicContact CB-CG1 4.4Å; A833-I1136 HydrophobicContact CB-CG2 3.69Å; A833-N1137 CarbonylContact C-O 3.56Å; A833-N1137 WeakPolarHBondContact CA-O 3.26Å; A833-N1137 WeakPolarHBondContact CB-O 3.44Å
834S80.2Confident73.3Confident9 Ų945.7 Ų45.76%0.06323%0.23CC..EExtended strand (participates in β ladder)trans-88.5136.2159.767.10000109H836 N1137S834-H836 PolarHBondContact OG-NE2 3.16Å; S834-N1137 PolarHBondContact N-O 3.4Å; S834-N1137 PolarHBondContact O-N 2.85Å; S834-N1137 WeakPolarHBondContact OG-CB 3.48Å
835V81.7Confident72Confident3 Ų345.4 Ų45.42%0.01823%0.232CC..EExtended strand (participates in β ladder)trans-117.9125.2179.4-174.90000108.2I1112 L1119 F1121 I1134 F1135 I1136V835-I1112 HydrophobicContact CG2-CD1 4.29Å; V835-L1119 HydrophobicContact CB-CD1 4.29Å; V835-L1119 HydrophobicContact CG1-CD1 4.16Å; V835-L1119 HydrophobicContact CG2-CD1 3.97Å; V835-F1121 HydrophobicContact CB-CZ 4.04Å; V835-F1121 HydrophobicContact CG1-CE1 4.38Å; V835-F1121 HydrophobicContact CG1-CZ 3.65Å; V835-I1134 HydrophobicContact CG1-CD1 3.98Å; V835-I1134 HydrophobicContact CG1-CG1 4.03Å; V835-F1135 CarbonylContact C-O 3.56Å; V835-F1135 WeakPolarHBondContact CA-O 3.39Å; V835-I1136 HydrophobicContact CG1-CG1 4.25Å; V835-I1136 HydrophobicContact CG2-CD1 4.26Å; V835-I1136 HydrophobicContact CG2-CG1 4.2Å; V835-I1136 HydrophobicContact CG2-CG2 4.49Å
836H80.4Confident70.9Confident80 Ų8047.1 Ų47.137%0.3724%0.241SC..EExtended strand (participates in β ladder)trans-125.6145.7179.1-57.9-67.7000109.9S834 F1135S834-H836 PolarHBondContact OG-NE2 3.16Å; H836-F1135 HydrophobicContact CB-CB 4.3Å; H836-F1135 PolarHBondContact N-O 3.27Å; H836-F1135 PolarHBondContact O-N 3.4Å
837I80.7Confident70Confident7 Ų746.4 Ų46.44%0.03623%0.232CC..EExtended strand (participates in β ladder)trans-123.6131.2176.8-57.7158.2000107.6I821 F1101 F1121 P1131 Q1133 I1134 I1172I821-I837 HydrophobicContact CD1-CD1 3.16Å; I821-I837 HydrophobicContact CD1-CG1 3.96Å; I837-F1101 HydrophobicContact CB-CB 4.18Å; I837-F1101 HydrophobicContact CB-CD2 3.98Å; I837-F1101 HydrophobicContact CB-CG 4.38Å; I837-F1101 HydrophobicContact CG2-CD2 3.77Å; I837-F1101 HydrophobicContact CG2-CE2 4.18Å; I837-F1101 HydrophobicContact CG2-CG 4.48Å; I837-F1121 HydrophobicContact CD1-CB 4.13Å; I837-F1121 HydrophobicContact CD1-CD1 3.57Å; I837-F1121 HydrophobicContact CD1-CD2 3.43Å; I837-F1121 VanDerWaalsContact CD1-CD2 3.43Å; I837-F1121 HydrophobicContact CD1-CE1 3.74Å; I837-F1121 HydrophobicContact CD1-CE2 3.6Å; I837-F1121 HydrophobicContact CD1-CG 3.42Å; I837-F1121 VanDerWaalsContact CD1-CG 3.42Å; I837-F1121 HydrophobicContact CD1-CZ 3.75Å; I837-F1121 HydrophobicContact CG1-CD1 4.36Å; I837-F1121 HydrophobicContact CG1-CE1 4.18Å; I837-F1121 HydrophobicContact CG1-CZ 4.26Å; I837-P1131 HydrophobicContact CG2-CB 3.61Å; I837-Q1133 WeakPolarHBondContact CA-O 3.42Å; I837-I1134 HydrophobicContact CG1-CG1 4.47Å; I837-I1172 HydrophobicContact CG2-CD1 4.4Å
838S80.1Confident68.9Low37 Ų3751.1 Ų51.126%0.25925%0.254SS..EExtended strand (participates in β ladder)trans-92.2151.9167.162.80000109.6P1131 E1132 Q1133S838-P1131 WeakPolarHBondContact O-CA 3.33Å; S838-E1132 PolarHBondContact O-N 3.39Å; S838-Q1133 PolarHBondContact N-O 2.91Å; S838-Q1133 WeakPolarHBondContact OG-CB 3.29Å; S838-Q1133 PolarHBondContact OG-N 2.93Å; S838-Q1133 VanDerWaalsContact OG-N 3.16Å; S838-Q1133 PolarHBondContact OG-O 2.87Å
839G78Confident68.1Low13 Ų1351 Ų5113%0.13426%0.255CS..EExtended strand (participates in β ladder)trans-159.1175.7173.100000112.2L1100 I1130G839-L1100 WeakPolarHBondContact O-CD1 3.44Å; G839-I1130 CarbonylContact C-O 3.48Å; G839-I1130 WeakPolarHBondContact CA-O 3.32Å
840S73.9Confident67Low31 Ų3151.8 Ų51.822%0.21726%0.262CS..EExtended strand (participates in β ladder)trans-135.5160.5-178.761.20000111.1I1130 E1132S840-I1130 PolarHBondContact N-O 2.95Å; S840-I1130 PolarHBondContact O-N 3.4Å; S840-E1132 WeakPolarHBondContact CB-OE1 3.34Å; S840-E1132 PolarHBondContact OG-OE1 2.91Å
841E65Low65.7Low152 Ų15254.2 Ų54.271%0.7127%0.274SS*.PPolyproline II helixtrans-68.2138.1170.1-71.8-178.4179.300109.9S843 L1129E841-S843 PolarHBondContact O-N 2.86Å; E841-L1129 HydrophobicContact CG-CD2 3.77Å
842P62.9Low63.9Low24 Ų2457.7 Ų57.716%0.15629%0.292CS..PPolyproline II helixtrans-62121.2-179.928.9-39000110.4D846 W847 F1128 I1130P842-D846 HydrophobicContact CB-CB 4.3Å; P842-W847 HydrophobicContact CB-CD2 4.47Å; P842-W847 HydrophobicContact CB-CZ2 4.03Å; P842-W847 HydrophobicContact CG-CZ2 3.48Å; P842-W847 VanDerWaalsContact CG-CZ2 3.48Å; P842-F1128 HydrophobicContact CB-CD1 4.26Å; P842-F1128 WeakPolarHBondContact CD-O 3.48Å; P842-F1128 HydrophobicContact CG-CD1 3.89Å; P842-I1130 HydrophobicContact CB-CD1 3.75Å; P842-I1130 HydrophobicContact CB-CG1 4.17Å
843S57.7Low61.9Low48 Ų4857.9 Ų57.934%0.33630%0.301SS..PPolyproline II helixtrans-74.7166.5170.7750000111.1E841 I845 D846 W847E841-S843 PolarHBondContact O-N 2.86Å; S843-I845 PolarHBondContact O-N 3.38Å; S843-D846 WeakPolarHBondContact CA-OD2 3.22Å; S843-D846 VanDerWaalsContact CB-OD2 3.25Å; S843-D846 WeakPolarHBondContact CB-OD2 3.41Å; S843-D846 PolarHBondContact N-OD2 3.1Å; S843-D846 WeakPolarHBondContact O-CB 3.46Å; S843-D846 PolarHBondContact O-N 2.77Å; S843-D846 VanDerWaalsContact OG-CG 3.23Å; S843-D846 PolarHBondContact OG-N 3.14Å; S843-D846 PolarHBondContact OG-OD2 3.45Å; S843-W847 VanDerWaalsContact O-CD1 3.25Å; S843-W847 PolarHBondContact O-N 2.76Å; S843-W847 VanDerWaalsContact O-N 3.12Å
844Y49.7Very low59.6Low176 Ų17662.7 Ų62.769%0.6933%0.327SS*.Hα-helixtrans-53.7-36.4175.6179.9-98.8000113.1W847 Q848Y844-W847 PolarHBondContact O-N 2.61Å; Y844-Q848 HydrophobicContact CE1-CG 4.47Å; Y844-Q848 PolarHBondContact O-N 2.86Å
845I53.5Low57.4Low92 Ų9268.1 Ų68.147%0.47235%0.351SS..Hα-helixtrans-67.4-38.5178-63167.4000110.6S843 W847 Q848 T849S843-I845 PolarHBondContact O-N 3.38Å; I845-W847 VanDerWaalsContact C-N 3.34Å; I845-W847 PolarHBondContact O-N 3.21Å; I845-Q848 WeakPolarHBondContact O-CB 3.48Å; I845-Q848 PolarHBondContact O-N 3.48Å; I845-T849 PolarHBondContact O-N 3.21Å; I845-T849 PolarHBondContact O-OG1 3.1Å
846D56.3Low54.9Low39 Ų3972.9 Ų72.921%0.20937%0.371CS..Hα-helixtrans-65.8-40.3178.6-54.1-46.2000110.5P842 S843 T849 L850 I1130P842-D846 HydrophobicContact CB-CB 4.3Å; S843-D846 WeakPolarHBondContact CA-OD2 3.22Å; S843-D846 VanDerWaalsContact CB-OD2 3.25Å; S843-D846 WeakPolarHBondContact CB-OD2 3.41Å; S843-D846 PolarHBondContact N-OD2 3.1Å; S843-D846 WeakPolarHBondContact O-CB 3.46Å; S843-D846 PolarHBondContact O-N 2.77Å; S843-D846 VanDerWaalsContact OG-CG 3.23Å; S843-D846 PolarHBondContact OG-N 3.14Å; S843-D846 PolarHBondContact OG-OD2 3.45Å; D846-T849 PolarHBondContact O-N 3.17Å; D846-L850 WeakPolarHBondContact O-CB 3.25Å; D846-L850 WeakPolarHBondContact O-CG 3.33Å; D846-L850 PolarHBondContact O-N 3.38Å; D846-I1130 HydrophobicContact CB-CD1 3.58Å
847W53.2Low52.3Low66 Ų6674.5 Ų74.525%0.2538%0.383CS..Hα-helixtrans-64.2-40.3172.6-71.2110.7000113P842 S843 Y844 I845 T849 L850 L851 F1128 M1187 L1191P842-W847 HydrophobicContact CB-CD2 4.47Å; P842-W847 HydrophobicContact CB-CZ2 4.03Å; P842-W847 HydrophobicContact CG-CZ2 3.48Å; P842-W847 VanDerWaalsContact CG-CZ2 3.48Å; S843-W847 VanDerWaalsContact O-CD1 3.25Å; S843-W847 PolarHBondContact O-N 2.76Å; S843-W847 VanDerWaalsContact O-N 3.12Å; Y844-W847 PolarHBondContact O-N 2.61Å; I845-W847 VanDerWaalsContact C-N 3.34Å; I845-W847 PolarHBondContact O-N 3.21Å; W847-T849 VanDerWaalsContact C-N 3.29Å; W847-T849 PolarHBondContact O-N 3.41Å; W847-L850 PolarHBondContact O-N 2.85Å; W847-L851 HydrophobicContact CB-CD1 4.39Å; W847-L851 HydrophobicContact CE3-CD1 4.35Å; W847-L851 WeakPolarHBondContact O-CB 3.43Å; W847-L851 VanDerWaalsContact O-CG 3.31Å; W847-L851 WeakPolarHBondContact O-CG 3.39Å; W847-L851 PolarHBondContact O-N 2.78Å; W847-F1128 HydrophobicContact CH2-CB 4.42Å; W847-F1128 AromaticContact CH2-CD1 3.98Å; W847-F1128 HydrophobicContact CH2-CD1 3.98Å; W847-F1128 HydrophobicContact CH2-CE1 4.31Å; W847-F1128 HydrophobicContact CH2-CG 4.19Å; W847-F1128 HydrophobicContact CZ2-CD1 4.2Å; W847-M1187 HydrophobicContact CE3-CE 4.12Å; W847-M1187 HydrophobicContact CZ3-CE 3.54Å; W847-L1191 HydrophobicContact CZ3-CD2 4.48Å
848Q48.3Very low49.8Very low100 Ų10079.3 Ų79.347%0.46741%0.414SS..Hα-helixtrans-59.9-42.7175.2-116.2-178.2-13.600111.4Y844 I845 N852Y844-Q848 HydrophobicContact CE1-CG 4.47Å; Y844-Q848 PolarHBondContact O-N 2.86Å; I845-Q848 WeakPolarHBondContact O-CB 3.48Å; I845-Q848 PolarHBondContact O-N 3.48Å; Q848-N852 WeakPolarHBondContact O-CB 3.46Å; Q848-N852 PolarHBondContact O-N 2.75Å
849T51.2Low47.3Very low65 Ų6585.5 Ų85.540%0.39943%0.433SS..Hα-helixtrans-70.3-38.5-179.6-45.20000111.6I845 D846 W847I845-T849 PolarHBondContact O-N 3.21Å; I845-T849 PolarHBondContact O-OG1 3.1Å; D846-T849 PolarHBondContact O-N 3.17Å; W847-T849 VanDerWaalsContact C-N 3.29Å; W847-T849 PolarHBondContact O-N 3.41Å
850L45.3Very low44.8Very low52 Ų5292.7 Ų92.727%0.27246%0.463SS..Hα-helixtrans-74.3-35.3178-75.2166.2000113.4D846 W847 F1128 I1130 W1181 M1187D846-L850 WeakPolarHBondContact O-CB 3.25Å; D846-L850 WeakPolarHBondContact O-CG 3.33Å; D846-L850 PolarHBondContact O-N 3.38Å; W847-L850 PolarHBondContact O-N 2.85Å; L850-F1128 HydrophobicContact CD1-CE1 4.01Å; L850-F1128 HydrophobicContact CD1-CZ 4.21Å; L850-I1130 HydrophobicContact CD1-CD1 4.45Å; L850-W1181 HydrophobicContact CD2-CE3 4.28Å; L850-M1187 HydrophobicContact CB-CE 4.05Å; L850-M1187 HydrophobicContact CD1-CE 4.18Å
851L44.2Very low42.5Very low74 Ų7496.6 Ų96.639%0.38749%0.485SS..Hα-helixtrans-91.6-7.2-174.6-69169.1000114.4W847 P853 L1191W847-L851 HydrophobicContact CB-CD1 4.39Å; W847-L851 HydrophobicContact CE3-CD1 4.35Å; W847-L851 WeakPolarHBondContact O-CB 3.43Å; W847-L851 VanDerWaalsContact O-CG 3.31Å; W847-L851 WeakPolarHBondContact O-CG 3.39Å; W847-L851 PolarHBondContact O-N 2.78Å; L851-P853 WeakPolarHBondContact O-CD 3.4Å; L851-L1191 HydrophobicContact CD2-CD1 4.46Å
852N40.1Very low40.6Very low75 Ų7597.8 Ų97.840%0.40149%0.493SS..  trans-91.891.6173.2-100.6-18000110.8Q848 N854 E855Q848-N852 WeakPolarHBondContact O-CB 3.46Å; Q848-N852 PolarHBondContact O-N 2.75Å; N852-N854 PolarHBondContact O-N 2.78Å; N852-E855 PolarHBondContact O-N 2.82Å
853P35.4Very low38.8Very low73 Ų73103.1 Ų103.147%0.47452%0.52SS..G310 helixtrans-62.8-23.5173.326.3-34.9000112.3L851 E855 F856L851-P853 WeakPolarHBondContact O-CD 3.4Å; P853-E855 VanDerWaalsContact C-N 3.32Å; P853-E855 PolarHBondContact O-N 2.79Å; P853-F856 PolarHBondContact O-N 2.86Å
854N34.5Very low37.3Very low101 Ų101111 Ų11154%0.5455%0.548SS..G310 helixtrans-74.5-14.9-174.4-67.4-7.4000114.3N852 Y859N852-N854 PolarHBondContact O-N 2.78Å; N854-Y859 VanDerWaalsContact O-CE2 3.28Å; N854-Y859 WeakPolarHBondContact O-CE2 3.44Å; N854-Y859 PolarHBondContact O-OH 2.89Å
855E33Very low36.1Very low122 Ų122108 Ų10857%0.5755%0.548SS*.G310 helixtrans-89.4-12.6172.6-80.4-173.5150.800113.5N852 P853 Y859N852-E855 PolarHBondContact O-N 2.82Å; P853-E855 VanDerWaalsContact C-N 3.32Å; P853-E855 PolarHBondContact O-N 2.79Å; E855-Y859 HydrophobicContact CG-CE2 4.26Å
856F29.7Very low34.8Very low103 Ų103111.1 Ų111.145%0.45257%0.566SS.*SBendtrans-98.73175.7-81.6-74.4000114.5P853P853-F856 PolarHBondContact O-N 2.86Å
857L25.9Very low33.3Very low115 Ų115118.5 Ų118.560%0.60260%0.599SS**SBendtrans-95.2122.4160.2-81.8153.1000107.2Y859L857-Y859 PolarHBondContact O-N 3.17Å
858P28.4Very low31.8Very low108 Ų108123.5 Ų123.570%0.70163%0.63SS**  trans-60.2109.617425.5-29.7000106.8H860P858-H860 PolarHBondContact O-N 3.22Å
859Y26.6Very low30.6Very low167 Ų167124 Ų12466%0.65565%0.645SS**  trans-45.497.6-176.6-81.2-93000111N854 E855 L857N854-Y859 VanDerWaalsContact O-CE2 3.28Å; N854-Y859 WeakPolarHBondContact O-CE2 3.44Å; N854-Y859 PolarHBondContact O-OH 2.89Å; E855-Y859 HydrophobicContact CG-CE2 4.26Å; L857-Y859 PolarHBondContact O-N 3.17Å
860H25.7Very low29.1Very low164 Ų164129 Ų12976%0.75967%0.665SS**  trans-77.5128.2164.4-101.6-83.8000108P858P858-H860 PolarHBondContact O-N 3.22Å
861V26.2Very low28.2Very low112 Ų112132 Ų13268%0.67969%0.688SS**  trans51.282144.4-165.20000115.1
862M24.6Very low27.1Very low177 Ų177137.9 Ų137.987%0.87271%0.713SS**  trans-88.9116.4151.6-79.3-71.9176.400108K864M862-K864 PolarHBondContact O-N 3.35Å
863D25.6Very low26.3Very low136 Ų136140.9 Ų140.973%0.72773%0.729SS**  trans-46.8120.8178.9-84-43.6000112.7T865D863-T865 VanDerWaalsContact C-N 3.34Å; D863-T865 PolarHBondContact O-N 3.42Å
864K25.8Very low25.7Very low214 Ų214145.7 Ų145.793%0.9375%0.75SS**  trans-72.190.5161.2-74.6-177178.1178.90108.5M862M862-K864 PolarHBondContact O-N 3.35Å
865T24.5Very low25.2Very low112 Ų112144.7 Ų144.769%0.68775%0.752SS**  trans-124.7138.5154.749.60000109.4D863D863-T865 VanDerWaalsContact C-N 3.34Å; D863-T865 PolarHBondContact O-N 3.42Å
866N26.1Very low24.7Very low158 Ų158147.6 Ų147.685%0.84577%0.765SS**  trans91.375.5171.6-52.2-23.4000116.3
867Q24.3Very low24.4Very low195 Ų195150.1 Ų150.191%0.91178%0.782SS**  trans-50.6130.3152.1-68.4169.5-24.700111.5
868L22.6Very low24.3Very low170 Ų170151.3 Ų151.389%0.8978%0.784SS**  trans-74.9131.1150.6-87143.9000108.1M870L868-M870 PolarHBondContact O-N 2.88Å
869S22.2Very low24Very low112 Ų112153.4 Ų153.478%0.78379%0.789SS**  trans-74.686.6178.743.50000111.6
870M21Very low24Very low169 Ų169152.4 Ų152.483%0.83379%0.793SS**  trans-130.9146.3158-85.6-71.3143.700109.3L868L868-M870 PolarHBondContact O-N 2.88Å
871P25.5Very low23.8Very low114 Ų114150.6 Ų150.674%0.7479%0.79SS**  trans-73.3150.8-158.1-7.924.3000112.6L873P871-L873 PolarHBondContact O-N 3.27Å
872Q22.1Very low23.8Very low198 Ų198153.1 Ų153.193%0.92580%0.798SS**  trans-38.5120.1177.4-86.3165.7-58.100113.9
873L23.4Very low23.7Very low139 Ų139148.7 Ų148.773%0.72878%0.781SS**  trans-63.4129.1150.8-102.386.7000109.4P871 S875P871-L873 PolarHBondContact O-N 3.27Å; L873-S875 PolarHBondContact O-N 2.86Å; L873-S875 VanDerWaalsContact O-N 3.12Å
874D22.2Very low23.5Very low173 Ų173146.7 Ų146.793%0.92577%0.774SS**  trans-71.779.3143.2-81.1-34.3000108.1
875S24.7Very low23.4Very low81 Ų81140.9 Ų140.957%0.56677%0.766SS**  trans-9789.9170.6540000109.6L873 L877L873-S875 PolarHBondContact O-N 2.86Å; L873-S875 VanDerWaalsContact O-N 3.12Å; S875-L877 PolarHBondContact O-N 2.99Å
876Q21.5Very low23.4Very low183 Ų183141.7 Ų141.786%0.85577%0.773SS**  trans-69.4120.4162-73.4-178.7-17.100108.7H878Q876-H878 PolarHBondContact O-N 3.08Å
877L23.2Very low23.2Very low156 Ų156139.5 Ų139.582%0.81777%0.77SS**  trans-67.6116.3-174.6-77.2143.8000111.7S875 L879S875-L877 PolarHBondContact O-N 2.99Å; L877-L879 PolarHBondContact O-N 3.47Å
878H23.5Very low23.1Very low139 Ų139137.8 Ų137.864%0.64477%0.766SS**  trans-70.7113.2168.4-75.3-88.3000110.4E496 Q876 I880E496-H878 IonicContact OE1-CE1 3.73Å; E496-H878 IonicContact OE1-CG 3.47Å; E496-H878 IonicContact OE1-ND1 3.56Å; E496-H878 PolarHBondContact OE1-ND1 3.07Å; E496-H878 IonicContact OE2-ND1 2.75Å; Q876-H878 PolarHBondContact O-N 3.08Å; H878-I880 PolarHBondContact O-N 2.52Å
879L22.4Very low23.1Very low152 Ų152134.5 Ų134.580%0.79676%0.757SS**  trans-93.880.1-178.8-148.7136.4000108.7L877 N881L877-L879 PolarHBondContact O-N 3.47Å; L879-N881 PolarHBondContact O-N 3.26Å
880I26.1Very low23.1Very low146 Ų146134.9 Ų134.975%0.74976%0.755SS**  trans-79.3114.5-178.1-62.1175.3000109.8H878H878-I880 PolarHBondContact O-N 2.52Å
881N23.2Very low23.2Very low127 Ų127133.1 Ų133.168%0.67975%0.753SS**  trans-88.9136.6-176.7-160.8-2.7000111.8L879 T883L879-N881 PolarHBondContact O-N 3.26Å; N881-T883 PolarHBondContact O-N 3.37Å
882L24.6Very low22.9Very low164 Ų164136.4 Ų136.486%0.85976%0.756SS**  trans-87.781.6-164.6-72.7146.1000113.1
883T22.2Very low22.9Very low85 Ų85132.1 Ų132.152%0.52175%0.747SS.*  trans-152.663.5166.747.20000112.2T492 N881T492-T883 VanDerWaalsContact CB-O 3.23Å; T492-T883 WeakPolarHBondContact CB-O 3.38Å; T492-T883 WeakPolarHBondContact CG2-O 3.32Å; N881-T883 PolarHBondContact O-N 3.37Å
884T23Very low23Very low93 Ų93134 Ų13457%0.57176%0.757SS**  trans-141.5111.5163.536.80000110.6
885A24.1Very low22.9Very low92 Ų92130.5 Ų130.576%0.7675%0.752SS**  trans-59.9141.8160.100000109.4S887A885-S887 PolarHBondContact O-N 3.06Å
886P24.1Very low22.8Very low129 Ų129130.3 Ų130.384%0.83876%0.763SS**  trans-71.2114.4-170.526.3-31.4000111.3I888P886-I888 PolarHBondContact O-N 2.87Å
887S22.1Very low22.8Very low113 Ų113126.8 Ų126.879%0.7976%0.758SS**  trans-67.5124.5170.453.30000110.8A885 S889A885-S887 PolarHBondContact O-N 3.06Å; S887-S889 PolarHBondContact O-N 2.93Å; S887-S889 VanDerWaalsContact O-N 3.09Å
888I22.4Very low22.7Very low158 Ų158126.1 Ų126.181%0.8176%0.756SS**  trans-64.9101.7175.1-65.4162.9000108.9P886 V890P886-I888 PolarHBondContact O-N 2.87Å; I888-V890 HydrophobicContact CG2-CG2 4.12Å; I888-V890 PolarHBondContact O-N 2.82Å
889S22.2Very low22.9Very low101 Ų101126.5 Ų126.571%0.70677%0.768SS**  trans-77.7100.8168.560.10000109.2S887 V891S887-S889 PolarHBondContact O-N 2.93Å; S887-S889 VanDerWaalsContact O-N 3.09Å; S889-V891 PolarHBondContact O-N 3.39Å; S889-V891 VanDerWaalsContact O-N 3.08Å
890V20.9Very low22.9Very low121 Ų121126.1 Ų126.173%0.73376%0.761SS**  trans-69.696.2168.61790000108.3I888 K892I888-V890 HydrophobicContact CG2-CG2 4.12Å; I888-V890 PolarHBondContact O-N 2.82Å; V890-K892 PolarHBondContact O-N 3.16Å
891V23.2Very low22.8Very low132 Ų132125.7 Ų125.780%0.876%0.76SS**  trans-81.3109.9170.2-1800000108.2S889S889-V891 PolarHBondContact O-N 3.39Å; S889-V891 VanDerWaalsContact O-N 3.08Å
892K20.7Very low23.2Very low183 Ų183124.5 Ų124.580%0.79676%0.76SS**  trans-65.6134.8173.7-79.9176.8174.11750111.2V890V890-K892 PolarHBondContact O-N 3.16Å
893S21.7Very low23.1Very low107 Ų107124.8 Ų124.875%0.74876%0.76SS**  trans5130.2160.166.60000120
894L24.2Very low23Very low180 Ų180126.3 Ų126.394%0.94277%0.77SS**  trans-143.2126.7138.3-103.1136.6000109.4
895A20.7Very low23Very low99 Ų99130 Ų13082%0.81878%0.784SS**  trans-83.9161.1-177.200000112
896G22.4Very low22.9Very low76 Ų76128.8 Ų128.878%0.78478%0.781SS**  trans103.7135.9166.900000112.7
897S22.4Very low22.8Very low109 Ų109128.3 Ų128.376%0.76278%0.781SS**  cis-172.8135.85.5440000107.4
898N21.5Very low22.9Very low143 Ų143128.5 Ų128.577%0.76578%0.782SS**  trans1.1126.7157.9-63.7-19.4000119.3
899V26.4Very low22.9Very low147 Ų147127.1 Ų127.189%0.89178%0.776SS**  trans-135.499.4138.5-179.20000109.3
900H22.7Very low23.1Very low143 Ų143130.1 Ų130.166%0.66278%0.784SS**  trans-24154.9146.2-79.8-58000114.8
901N23.9Very low23.2Very low137 Ų137130.8 Ų130.873%0.73378%0.784SS**  cis-172.5173.93.2-1185000106.2
902P32.3Very low23.3Very low102 Ų102131.3 Ų131.366%0.66278%0.782SS**  trans-89.6155.4-157.335.9-35.4000114.8T904P902-T904 PolarHBondContact O-N 3.32Å
903I21.8Very low23.6Very low171 Ų171133 Ų13388%0.87778%0.783SS**  trans-79.3115165.3-64.5172.2000108.2
904T20.4Very low23.7Very low117 Ų117135.4 Ų135.472%0.71879%0.788SS**  trans-91.8144.8166.5-460000107.9P902P902-T904 PolarHBondContact O-N 3.32Å
905I22.4Very low23.9Very low170 Ų170132.2 Ų132.287%0.87278%0.78SS**  trans163.3129.8152.7-79.7145.2000104.2
906G22.6Very low24Very low67 Ų67134.6 Ų134.669%0.69178%0.78SS**  cis172.11377.200000107
907S21.1Very low24.1Very low119 Ų119136.8 Ų136.883%0.83277%0.773SS**  trans-56.8138.2179.3178.80000113.2
908S25.2Very low24.1Very low117 Ų117138.4 Ų138.482%0.81877%0.773SS**  trans-118.9118.2155.9580000110.1
909N22.6Very low24.2Very low129 Ų129136.5 Ų136.569%0.6977%0.771SS**  trans-48.2146.1169.5-77.5-42.5000112.9
910N26.7Very low24Very low163 Ų163135 Ų13587%0.87277%0.767SS**  -164.5116.1115.8-96.1-25.4000113.3
911N22.9Very low24Very low135 Ų135131.7 Ų131.772%0.72277%0.772SS**  trans-54.2141.2156.4-67.8-45.3000110.9
912N25.8Very low24Very low143 Ų143130.8 Ų130.877%0.76578%0.776SS**  179131.9120.4-98.3-36.1000115.2
913R26.2Very low23.6Very low219 Ų219135.3 Ų135.383%0.82679%0.788SS**  trans84.695139.1-70.7176.7179.6-175-1.3120.6
914N24Very low23.6Very low158 Ų158136.1 Ų136.185%0.84579%0.785SS**  17.4122.4110.2-72.3-7.3000118.7
915S27.7Very low23.7Very low112 Ų112136.1 Ų136.178%0.78379%0.785SS**  174.6102.1120.654.70000108.2
916N22.8Very low23.7Very low150 Ų150134.8 Ų134.880%0.80278%0.778SS**  54.412397.1-92.63.1000117.8
917N24Very low23.7Very low122 Ų122136.9 Ų136.965%0.65278%0.782SS**  trans105.4116.1137.9-69.1-8.7000120.7
918N22.9Very low23.7Very low143 Ų143143 Ų14377%0.76579%0.787SS**  trans71127.9133.7-60.2-13.9000116.5
919S23.3Very low23.6Very low103 Ų103140.5 Ų140.572%0.7278%0.779SS**  cis-178.1144.942.138.50000111.2
920S22.4Very low23.5Very low115 Ų115143.5 Ų143.580%0.80479%0.789SS**  trans46118.4141.361.20000121.2
921G23.7Very low23.5Very low74 Ų74145.9 Ų145.976%0.76379%0.787SS**  trans-173.435.6157.500000113.7H923G921-H923 PolarHBondContact O-N 3.16Å
922S22.9Very low23.4Very low117 Ų117145 Ų14582%0.81879%0.792SS**  trans-80.990.6178.456.70000111.1K924S922-K924 PolarHBondContact O-N 3.37Å
923H24.1Very low23.3Very low198 Ų198145.2 Ų145.292%0.91779%0.791SS**  trans-87.599.2161.1-91.9-70.8000109.4G921G921-H923 PolarHBondContact O-N 3.16Å
924K22.4Very low23.1Very low188 Ų188140.1 Ų140.182%0.81779%0.789SS**  trans-83.4160.1165.3-145.8177.4-166.4178.80107.5S922S922-K924 PolarHBondContact O-N 3.37Å
925V22Very low23.2Very low116 Ų116138 Ų13870%0.70379%0.786SS**  trans117.9100.3149-175.70000116.7
926I22.2Very low22.9Very low142 Ų142141 Ų14173%0.72879%0.788SS**  trans93.8100.1132.5-62.4171.8000119.6
927S22.1Very low23Very low111 Ų111143.6 Ų143.678%0.77679%0.792SS**  trans-51.1120.8138.950.40000114
928R21.7Very low23.1Very low249 Ų249145.2 Ų145.294%0.9480%0.801SS**  trans-172.7138.3146.6-119.4178.3-179.6178.40.1112.1
929G23.3Very low23.1Very low63 Ų63143.9 Ų143.965%0.64980%0.803SS**  trans114.695.6143.800000116Y931G929-Y931 PolarHBondContact O-N 3.43Å
930Q21.3Very low23.2Very low193 Ų193146.7 Ų146.790%0.90281%0.808SS**  trans-46.5129.4158.7-68159.8-52.800111.1
931Y25.1Very low23.2Very low213 Ų213150 Ų15084%0.83581%0.811SS**  trans-130.7106.7155.7-88.3-80.2000109.1G929G929-Y931 PolarHBondContact O-N 3.43Å
932S20.9Very low23.2Very low116 Ų116157 Ų15781%0.81182%0.816SS**  trans-63.7119.2157.944.70000109.9
933I25.1Very low23.2Very low148 Ų148158.7 Ų158.776%0.75982%0.816SS**  trans-134.7110.2154.3-61.9-178.8000107.7
934S21.3Very low23.2Very low111 Ų111158 Ų15878%0.77681%0.81SS**  trans-58129.9161.347.40000111.4
935S25.1Very low23.2Very low113 Ų113159.8 Ų159.879%0.7981%0.813SS**  trans-152.6103.8150.260.20000109.1
936E22.2Very low23.4Very low177 Ų177162 Ų16283%0.82782%0.816SS**  trans-56140.6170.3-63.5164.7141.800111.4
937K25.2Very low23.4Very low204 Ų204162.2 Ų162.289%0.88782%0.817SS**  trans-166.784.1142-106.2170.2-173.1-174.70110.4
938N25.3Very low23.5Very low155 Ų155162.3 Ų162.383%0.82982%0.815SS**  trans1599.5142.9-60-13.7000117.5
939S23.8Very low23.6Very low115 Ų115156.6 Ų156.680%0.80481%0.808SS**  trans-125.1121.8148.654.60000108.5Q941S939-Q941 PolarHBondContact O-N 2.93Å
940I24.3Very low23.6Very low162 Ų162159.5 Ų159.583%0.83181%0.813SS**  trans-70.6110.7-165.3-67158.4000109.1
941Q23.4Very low23.7Very low184 Ų184158.9 Ų158.986%0.8681%0.811SS**  trans-88.3121.3173.7-114.3176.1-6.700109.5S939 N943S939-Q941 PolarHBondContact O-N 2.93Å; Q941-N943 PolarHBondContact O-N 3.17Å
942Y22.7Very low23.5Very low222 Ų222157.8 Ų157.887%0.87182%0.816SS**  trans-56.9129172.7-88.9-99.1000111.3K944Y942-K944 PolarHBondContact O-N 3.26Å
943N24.7Very low23.5Very low153 Ų153158.3 Ų158.382%0.81881%0.814SS**  trans-59.2100.9178.6-80-31.9000111.6Q941 Y945Q941-N943 PolarHBondContact O-N 3.17Å; N943-Y945 PolarHBondContact O-N 2.8Å
944K23.3Very low23.3Very low182 Ų182155.9 Ų155.979%0.79182%0.816SS**  trans-69.8119.5157-90.8-177.8173.8-179.60108.4Y942 H946Y942-K944 PolarHBondContact O-N 3.26Å; K944-H946 VanDerWaalsContact C-N 3.32Å; K944-H946 PolarHBondContact O-N 2.97Å
945Y23.2Very low23.3Very low226 Ų226156.2 Ų156.289%0.88682%0.818SS**  trans-60.592.4166.8-74.4-87.7000109.6N943 L947N943-Y945 PolarHBondContact O-N 2.8Å; Y945-L947 PolarHBondContact O-N 2.91Å
946H24.5Very low23.1Very low164 Ų164158 Ų15876%0.75982%0.818SS**  trans-74.4107.1165.4-92.9-74.4000108.6K944K944-H946 VanDerWaalsContact C-N 3.32Å; K944-H946 PolarHBondContact O-N 2.97Å
947L23.4Very low23Very low146 Ų146160.6 Ų160.676%0.76482%0.82SS**  trans-54.5131.9155.3-107.684.4000107.9Y945 T949Y945-L947 PolarHBondContact O-N 2.91Å; L947-T949 PolarHBondContact O-N 3.37Å
948P23.9Very low22.9Very low113 Ų113162.9 Ų162.973%0.73482%0.823SS**  trans-72.294.1-176.928.6-31.9000109.9T950P948-T950 PolarHBondContact O-N 3.42Å
949T23.5Very low22.7Very low128 Ų128160.2 Ų160.279%0.78582%0.816SS**  trans-7180.1161.149.20000108.1L947 E951L947-T949 PolarHBondContact O-N 3.37Å; T949-E951 PolarHBondContact O-N 3.49Å
950T23.6Very low22.6Very low124 Ų124165.7 Ų165.776%0.76182%0.821SS**  trans-76.6105.6165.228.10000107.5P948 M952P948-T950 PolarHBondContact O-N 3.42Å; T950-M952 VanDerWaalsContact C-N 3.35Å; T950-M952 PolarHBondContact O-N 3.41Å
951E22.3Very low22.7Very low180 Ų180164 Ų16484%0.84182%0.823SS**  trans-59.292.1171.3-69.2-179.4153.600109.8T949 T953T949-E951 PolarHBondContact O-N 3.49Å; E951-T953 VanDerWaalsContact C-N 3.35Å; E951-T953 PolarHBondContact O-N 3.32Å
952M21.6Very low22.7Very low191 Ų191159.8 Ų159.894%0.94181%0.814SS**  trans-77.693.7166.7-112.1-177-175.900108.5T950 A954T950-M952 VanDerWaalsContact C-N 3.35Å; T950-M952 PolarHBondContact O-N 3.41Å; M952-A954 PolarHBondContact O-N 3.33Å
953T21.6Very low22.7Very low126 Ų126156.7 Ų156.777%0.77381%0.811SS**  trans-59.5115.9172.212.70000109.9E951 S955E951-T953 VanDerWaalsContact C-N 3.35Å; E951-T953 PolarHBondContact O-N 3.32Å; T953-S955 PolarHBondContact O-N 3.21Å
954A20.3Very low23.3Very low97 Ų97154.6 Ų154.680%0.80281%0.806SS**  trans-64.494.7171.200000110.1M952 I956M952-A954 PolarHBondContact O-N 3.33Å; A954-I956 PolarHBondContact O-N 3Å
955S22.1Very low23.3Very low118 Ų118154 Ų15483%0.82581%0.811SS**  trans-89.3101.9170.556.60000110.1T953T953-S955 PolarHBondContact O-N 3.21Å
956I21.1Very low23.4Very low152 Ų152148.2 Ų148.278%0.77980%0.804SS**  trans-68.3142.5169.4-68.8166.8000109.3A954A954-I956 PolarHBondContact O-N 3Å
957R20.1Very low23.5Very low230 Ų230145.4 Ų145.487%0.86880%0.803SS**  trans74.8101.8170.5-79.8173.9174.5-176.4-0.9117.4
958R23Very low23.4Very low253 Ų253147.8 Ų147.896%0.95581%0.807SS**  -132.9118.4126.8-76.7-166.6177.1167.1-0.1110.9
959S21.1Very low23.3Very low99 Ų99150 Ų15069%0.69281%0.807SS**  trans-62.6141.2174.542.40000113.4
960Y21.8Very low23.4Very low230 Ų230153.1 Ų153.190%0.90281%0.806SS**  trans35.3112.3146.6-66.4-83.2000118.8
961S26.5Very low23.4Very low125 Ų125153.6 Ų153.687%0.87480%0.803SS**  trans-144123.9133.660.10000110.5
962S21.9Very low23.4Very low96 Ų96151.8 Ų151.867%0.67180%0.8SS**  trans-79.7143.5-174.748.70000113.2
963I23.3Very low23.4Very low158 Ų158154.1 Ų154.181%0.8180%0.798SS**  trans77.3149.1142.2-62.3161.3000116
964P37.9Very low23.5Very low108 Ų108155.2 Ų155.270%0.70180%0.799SS**  cis-130.5157.77.417.37.6000117.3
965D22.6Very low23.6Very low169 Ų169158.1 Ų158.190%0.90480%0.8SS**  trans-49.9127.2148.4-73.6-51.2000112.6
966S26Very low23.6Very low105 Ų105156.9 Ų156.973%0.73480%0.797SS**  trans-135104.8157.856.10000111.2
967S24.9Very low23.9Very low106 Ų106158.3 Ų158.374%0.74181%0.806SS**  trans47106.3137.959.20000119.9
968K21.8Very low24Very low196 Ų196156.5 Ų156.585%0.85280%0.804SS**  27.1136.5113.6-83.9-176.8177.3178.50119.2
969E22.6Very low24Very low159 Ų159148 Ų14874%0.74380%0.795SS**  trans91.3109.8158.3-63.2173-17600117.3
970Y25Very low24.2Very low193 Ų193150.7 Ų150.776%0.75780%0.802SS**  178.8113.695.9-107.4-91.4000111.9
971L23.8Very low24.2Very low135 Ų135149 Ų14971%0.70780%0.802SS**  trans42115.5135.3-86.4140000122.1
972N21.4Very low24.1Very low142 Ų142150.9 Ų150.976%0.75980%0.801SS**  15.3105.7129.8-73.9-18.4000117.5
973R22.9Very low24.2Very low239 Ų239157.6 Ų157.690%0.90281%0.812SS**  trans-108.991.7150.1-82.5-176.9175.9161.6-0109.5
974N22.6Very low24.2Very low150 Ų150158 Ų15880%0.80281%0.814SS**  trans-60.3123.9149.2-80.3-35.7000107.8
975L22.2Very low23.5Very low158 Ų158157.7 Ų157.783%0.82781%0.814SS**  trans-154.7104.5156.3-104.3164.5000110.6
976A23.5Very low23.6Very low92 Ų92158.6 Ų158.676%0.7681%0.81SS**  trans-18.4118.7161.700000116.9
977L26Very low23.5Very low182 Ų182162.3 Ų162.395%0.95382%0.818SS**  trans-88.2106.1157-83.5160.6000108.9
978K23.1Very low23.7Very low192 Ų192164.1 Ų164.184%0.83582%0.82SS**  trans-52.8136.6174.1-82.4173.4169.9175.10111.7N980K978-N980 PolarHBondContact O-N 2.95Å
979G22.4Very low23.9Very low75 Ų75160.5 Ų160.577%0.77382%0.819SS**  trans-61.5125.216700000111.7
980N25.5Very low24.2Very low154 Ų154162 Ų16282%0.82483%0.826SS**  trans-101.6110.9159.7-85.8-16.5000108K978 L982K978-N980 PolarHBondContact O-N 2.95Å; N980-L982 PolarHBondContact O-N 2.89Å; N980-L982 VanDerWaalsContact O-N 3.08Å
981Q23Very low24.5Very low195 Ų195158 Ų15891%0.91183%0.826SS**  trans-57.6103.2167-68.8175-20.500109.5R983Q981-R983 PolarHBondContact O-N 2.84Å
982L23.7Very low24.9Very low165 Ų165162.3 Ų162.386%0.86483%0.833SS**  trans-85.3107.4164.4-89.6160.2000108.3N980 I984N980-L982 PolarHBondContact O-N 2.89Å; N980-L982 VanDerWaalsContact O-N 3.08Å; L982-I984 PolarHBondContact O-N 3.04Å
983R23Very low25.4Very low237 Ų237162.5 Ų162.589%0.89483%0.833SS**  trans-53119.1173.8-75.6176.2171.8170.9-2.9110Q981 S985Q981-R983 PolarHBondContact O-N 2.84Å; R983-S985 VanDerWaalsContact C-N 3.34Å; R983-S985 PolarHBondContact O-N 2.94Å
984I24.5Very low25.9Very low167 Ų167153.3 Ų153.386%0.85681%0.812SS**  trans-66.591.5169-59.3167.6000107.6L982 K986L982-I984 PolarHBondContact O-N 3.04Å; I984-K986 PolarHBondContact O-N 2.92Å
985S23.4Very low26.7Very low100 Ų100149.7 Ų149.770%0.69980%0.799SS**  trans-76.1109.5165.5550000108.2R983 M987R983-S985 VanDerWaalsContact C-N 3.34Å; R983-S985 PolarHBondContact O-N 2.94Å; S985-M987 PolarHBondContact O-N 3.42Å
986K24.5Very low27.2Very low189 Ų189148.6 Ų148.682%0.82279%0.793SS**  trans-42.3105.1169.1-76.2175.3171.6177.50110.7I984 N988I984-K986 PolarHBondContact O-N 2.92Å; K986-N988 PolarHBondContact O-N 3.18Å
987M23.8Very low27.8Very low182 Ų182150 Ų15090%0.89779%0.787SS**  trans-77.3101.8166.8-79.7-178.6107.700108.2S985 S989S985-M987 PolarHBondContact O-N 3.42Å; M987-S989 PolarHBondContact O-N 2.75Å; M987-S989 VanDerWaalsContact O-N 3.08Å
988N28Very low28.2Very low145 Ų145147.2 Ų147.278%0.77577%0.773SS**  trans-64.2102166.7-81.7-17.5000109.3K986 Q990K986-N988 PolarHBondContact O-N 3.18Å; N988-Q990 VanDerWaalsContact C-N 3.28Å; N988-Q990 PolarHBondContact O-N 3.04Å
989S27.6Very low28.8Very low119 Ų119142.2 Ų142.283%0.83276%0.759SS**  trans-73.973.117254.60000110.9M987M987-S989 PolarHBondContact O-N 2.75Å; M987-S989 VanDerWaalsContact O-N 3.08Å
990Q29.1Very low29.3Very low192 Ų192141.6 Ų141.690%0.89775%0.746SS**  trans-141.215.7173.2-104.2-180000115.5N988N988-Q990 VanDerWaalsContact C-N 3.28Å; N988-Q990 PolarHBondContact O-N 3.04Å
991S30.7Very low29.8Very low107 Ų107137 Ų13775%0.74873%0.729SS**SBendtrans-12118.2-177.961.90000116.7
992R31.9Very low30.2Very low227 Ų227131.9 Ų131.986%0.85772%0.715SS**SBendtrans-99.9-5.2173.3-88.9-172.2172.8-172.5-1.7116.3
993L32.4Very low30.6Very low146 Ų146130.8 Ų130.876%0.76471%0.71SS**SBendtrans-84.2-20.4174.3-136.286.6000113.4
994G33.8Very low31Very low45 Ų45123.8 Ų123.846%0.46470%0.702SS.*Hα-helixtrans-76.4-23.6-175.600000115.3N998G994-N998 PolarHBondContact O-N 2.84Å
995S39.2Very low31.1Very low74 Ų74119.7 Ų119.752%0.51769%0.688SS.*Hα-helixtrans-79.5-30.6-177.556.30000113.3V999S995-V999 WeakPolarHBondContact O-CG2 3.49Å; S995-V999 PolarHBondContact O-N 2.76Å
996L31.4Very low31.2Very low135 Ų135126.5 Ų126.571%0.70770%0.699SS**Hα-helixtrans-73.9-35.4177.5-100.9153.8000112.3V999 A1000L996-V999 PolarHBondContact O-N 2.76Å; L996-A1000 PolarHBondContact O-N 3.5Å
997L36Very low31.3Very low122 Ų122122.4 Ų122.464%0.63969%0.692SS**Hα-helixtrans-72.7-32.5178.2-115.7134.4000112.7A1000 A1001L997-A1000 PolarHBondContact O-N 3.42Å; L997-A1001 WeakPolarHBondContact O-CB 3.41Å; L997-A1001 PolarHBondContact O-N 2.84Å
998N34.7Very low31.4Very low124 Ų124118.4 Ų118.466%0.66369%0.687SS**Hα-helixtrans-73.3-30.2173.7-81.2-11.3000113G994 S1002G994-N998 PolarHBondContact O-N 2.84Å; N998-S1002 WeakPolarHBondContact O-CB 3.24Å; N998-S1002 PolarHBondContact O-N 2.9Å
999V37Very low31.3Very low87 Ų87123.1 Ų123.153%0.52769%0.694SS.*Hα-helixtrans-71.5-40.5172.6174.40000110.7S995 L996 S1002 L1003S995-V999 WeakPolarHBondContact O-CG2 3.49Å; S995-V999 PolarHBondContact O-N 2.76Å; L996-V999 PolarHBondContact O-N 2.76Å; V999-S1002 PolarHBondContact O-N 2.79Å; V999-L1003 HydrophobicContact CG1-CD1 4.08Å; V999-L1003 WeakPolarHBondContact O-CG 3.31Å; V999-L1003 PolarHBondContact O-N 3.4Å; V999-L1003 VanDerWaalsContact O-N 3.14Å
1000A32.4Very low31Very low62 Ų62126.3 Ų126.351%0.51269%0.693SS.*Hα-helixtrans-65.5-39174.900000112.5L996 L997 L1003 A1004L996-A1000 PolarHBondContact O-N 3.5Å; L997-A1000 PolarHBondContact O-N 3.42Å; A1000-L1003 PolarHBondContact O-N 2.9Å; A1000-A1004 PolarHBondContact O-N 3.23Å
1001A34.9Very low30.8Very low57 Ų57121.3 Ų121.347%0.47168%0.68SS.*Hα-helixtrans-69.3-36.6175.900000112.4L997 L1003 A1004L997-A1001 WeakPolarHBondContact O-CB 3.41Å; L997-A1001 PolarHBondContact O-N 2.84Å; A1001-L1003 VanDerWaalsContact C-N 3.32Å; A1001-L1003 PolarHBondContact O-N 2.87Å; A1001-A1004 PolarHBondContact O-N 3.38Å
1002S32.6Very low30.5Very low87 Ų87124.5 Ų124.561%0.60868%0.683SS**Hα-helixtrans-69.3-28.4177.4-175.90000113.2N998 V999N998-S1002 WeakPolarHBondContact O-CB 3.24Å; N998-S1002 PolarHBondContact O-N 2.9Å; V999-S1002 PolarHBondContact O-N 2.79Å
1003L31.4Very low30.2Very low143 Ų143120.1 Ų120.175%0.74968%0.676SS**Hα-helixtrans-81.7-18.7179.4-75.1167.5000113.2V999 A1000 A1001V999-L1003 HydrophobicContact CG1-CD1 4.08Å; V999-L1003 WeakPolarHBondContact O-CG 3.31Å; V999-L1003 PolarHBondContact O-N 3.4Å; V999-L1003 VanDerWaalsContact O-N 3.14Å; A1000-L1003 PolarHBondContact O-N 2.9Å; A1001-L1003 VanDerWaalsContact C-N 3.32Å; A1001-L1003 PolarHBondContact O-N 2.87Å
1004A31.9Very low29.8Very low89 Ų89118.5 Ų118.574%0.73667%0.673SS**SBendtrans-85.3-8.2-179.800000114.3A1000 A1001A1000-A1004 PolarHBondContact O-N 3.23Å; A1001-A1004 PolarHBondContact O-N 3.38Å
1005S25.6Very low29.2Very low82 Ų82123.8 Ų123.857%0.57369%0.689SS**  trans-138.183.1-175.466.80000113
1006R26.4Very low28.4Very low242 Ų242123.3 Ų123.391%0.91370%0.696SS**  trans-153.6140.1145-107.6161.8-162.7-122.35.4111.6
1007P27.5Very low28Very low104 Ų104122.8 Ų122.868%0.67570%0.697SS**  trans-95.9157.7-152.52.419.8000112.6W1009P1007-W1009 PolarHBondContact O-N 2.73Å
1008A24.1Very low27.4Very low97 Ų97126.4 Ų126.480%0.80271%0.714SS**  trans-53.9116.1175.500000113
1009W25.8Very low26.8Very low244 Ų244124.3 Ų124.392%0.92471%0.708SS**  trans-101.6106.4160.3-77.465.2000107.9P1007P1007-W1009 PolarHBondContact O-N 2.73Å
1010K22.3Very low26.3Very low186 Ų186128.4 Ų128.481%0.80973%0.727SS**  trans-72.9144.7173.8-80.6178.9168.7178.80110.5
1011S24Very low25.9Very low88 Ų88132.1 Ų132.162%0.61573%0.734SS**  trans50.5117.6138.566.90000118.7
1012Q24.9Very low25.5Very low173 Ų173138.9 Ų138.981%0.80876%0.756SS**  170.9111.5114.8-92.3161.9-24.400106
1013D25.7Very low25.1Very low135 Ų135140 Ų14072%0.72276%0.755SS**  48115.983.6-67.5-23.8000108.8
1014T23.3Very low24.8Very low112 Ų112140.6 Ų140.669%0.68776%0.759SS**  cis168.4156.245.79.20000109.8
1015I22.2Very low24.5Very low157 Ų157142.4 Ų142.481%0.80576%0.761SS**  trans79.3130.5137.6-64.8157.7000120.8
1016G22.2Very low24.9Very low64 Ų64143.4 Ų143.466%0.6677%0.765SS**  trans137.367141.100000115
1017V22.8Very low24.7Very low123 Ų123140.1 Ų140.175%0.74576%0.762SS**  58.7107.996.4-174.90000114
1018M23Very low24.5Very low199 Ų199139.2 Ų139.298%0.9876%0.759SS**  trans-123.2103.7142-93.7-170.7166.100108.8
1019S22.8Very low24.4Very low79 Ų79141.2 Ų141.255%0.55276%0.761SS**  trans-70.4130.4166.944.40000110.8
1020D26.6Very low24.2Very low173 Ų173134.9 Ų134.993%0.92575%0.752SS**  trans-113.4103.2145.6-93.3-28.2000108
1021E23.2Very low24.1Very low140 Ų140134 Ų13465%0.65475%0.75SS**  trans-75.2122.5170.7-64.7-178.3156.200109.3
1022H27.8Very low24Very low199 Ų199138.3 Ų138.392%0.92176%0.764SS**  trans-128.897.4143.5-94.2-56.1000110.3
1023N23.7Very low23.9Very low111 Ų111135.9 Ų135.959%0.59476%0.756SS**  trans-56.7136168.1-67.2-53.6000112.3
1024N24.1Very low23.7Very low155 Ų155141.1 Ų141.183%0.82977%0.765SS**  174.6109106.5-86.5-31.1000112.7
1025T25.5Very low23.7Very low127 Ų127143 Ų14378%0.77977%0.771SS**  trans-53.5-168.9160.349.50000114.8
1026P35.3Very low23.7Very low103 Ų103138.9 Ų138.967%0.66977%0.768SS**  -136.5166.6-61.139.2-22.8000112.3
1027M22.6Very low23.8Very low173 Ų173146.6 Ų146.685%0.85278%0.777SS**  trans-158.492.3147.2-90.7-53.216800107.6
1028S21.7Very low23.7Very low86 Ų86149.9 Ų149.960%0.60179%0.786SS**  68.6104.788.184.20000114.1
1029T22.7Very low23.6Very low139 Ų139146.5 Ų146.585%0.85377%0.771SS**  -177.1143.6116.428.30000110.7
1030P21.8Very low23.5Very low111 Ų111152.7 Ų152.772%0.72178%0.782SS**  trans-96.3142.4-159.926.2-11.3000113.5
1031H20.9Very low23.2Very low167 Ų167152 Ų15277%0.77378%0.777SS**  trans7.9122142.2-65.8-73.8000118.2
1032I21.2Very low23.2Very low178 Ų178150.8 Ų150.891%0.91378%0.781SS**  trans-130.8118.1131.1-60.7-176.8000109.4
1033I22.3Very low23Very low123 Ų123147 Ų14763%0.63178%0.777SS**  trans-73.7135.3179.2-65.6154.1000109.8
1034R21.7Very low23Very low245 Ų245149 Ų14993%0.92579%0.788SS**  trans-157.9104.4138.7-125178.5-178.1179.90.3114
1035N23.5Very low23Very low150 Ų150144.9 Ų144.980%0.80278%0.782SS**  trans-47.1152.5149.5-57.7-32.1000110.6
1036G23Very low22.8Very low72 Ų72146.1 Ų146.174%0.74278%0.783SS**  cis173.21755.900000111.3
1037R23.2Very low22.2Very low225 Ų225147.5 Ų147.585%0.84978%0.783SS**  trans6.6137155.7-79.3178.1170.4170.1-1.3118.9
1038M20.4Very low22.1Very low192 Ų192147.7 Ų147.795%0.94678%0.782SS**  -148131.5116.9-113.6-179.976.800111.5
1039I22.1Very low22.2Very low128 Ų128149.4 Ų149.466%0.65679%0.791SS**  trans-115.3131.4-176.9-77.9176000108.4
1040R20.4Very low22.2Very low210 Ų210149.7 Ų149.779%0.79279%0.787SS**  trans61.2126.2148.8-70.5171.4-177-172.4-0.7121.2
1041I20.6Very low22.2Very low157 Ų157150.8 Ų150.881%0.80579%0.786SS**  trans-85.6148.5156.5-68.9171.4000109
1042P23.8Very low22.3Very low116 Ų116150.4 Ų150.475%0.75378%0.784SS**  trans-86.4159.2-174.914.35.5000112.4
1043S23Very low22.4Very low119 Ų119146.5 Ų146.583%0.83277%0.773SS**  trans-105.2127.5178.2-320000109.8
1044D23.7Very low22.5Very low153 Ų153146.2 Ų146.282%0.81878%0.781SS**  trans-56.9146.5167.9-62.9-50.4000113.1
1045G23.7Very low22.6Very low68 Ų68140.5 Ų140.570%0.70177%0.774SS**  trans-133.2116.6149.400000106.5
1046L22.2Very low22.5Very low153 Ų153142 Ų14280%0.80178%0.776SS**  73.5118.671.6-87.4176.1000114.2
1047I22.7Very low22.6Very low133 Ų133144.7 Ų144.768%0.68277%0.772SS**  trans90.1123.3142.1-53.1151000115.7
1048E20.6Very low22.5Very low177 Ų177139.5 Ų139.583%0.82777%0.77SS**  175.3118.5112.1-92.3-177.8173.300111.3
1049P23.1Very low22.7Very low122 Ų122141.2 Ų141.279%0.79277%0.766SS**  trans-11895.6148.232.4-18.9000110.1
1050N22.7Very low22.7Very low144 Ų144144 Ų14477%0.7778%0.776SS**  14.6116117.4-110.3-13.1000117.5
1051I21.9Very low22.8Very low135 Ų135142.4 Ų142.469%0.69278%0.777SS**  152.9121.9106.4-84.4159.5000113.3
1052H23.2Very low23Very low158 Ų158140.5 Ų140.573%0.73178%0.778SS**  trans69.2106.3140.3-76.4-102.1000123
1053S23.3Very low23Very low97 Ų97141.3 Ų141.368%0.67878%0.775SS**  39.694.5118.8680000118.2
1054S23.5Very low22.9Very low116 Ų116140.4 Ų140.481%0.81177%0.768SS**  163.780.2127.558.20000111.1
1055V23.4Very low23Very low126 Ų126137.7 Ų137.776%0.76476%0.761SS**  trans-143.5109.7158.5-176.60000108.2I1057V1055-I1057 HydrophobicContact CG1-CG1 4.03Å; V1055-I1057 PolarHBondContact O-N 3.29Å
1056Q23.2Very low23.1Very low181 Ų181139.5 Ų139.585%0.84676%0.758SS**  trans-68107.6169.2-75.2174.1-34.100108.6
1057I23.9Very low23.3Very low129 Ų129138.3 Ų138.366%0.66275%0.747SS**  trans-99.9107.9177.4-60.5173.6000108.3V1055 R1059V1055-I1057 HydrophobicContact CG1-CG1 4.03Å; V1055-I1057 PolarHBondContact O-N 3.29Å; I1057-R1059 HydrophobicContact CG2-CG 4.14Å; I1057-R1059 PolarHBondContact O-N 3.08Å
1058S22.3Very low23.4Very low116 Ų116142.1 Ų142.181%0.81176%0.758SS**  trans-72.198.3168530000109.9
1059R22.8Very low23.4Very low228 Ų228145.6 Ų145.686%0.8676%0.764SS**  trans-96100.8170.3-91.8-179.4177.6177.2-1.5109.8I1057I1057-R1059 HydrophobicContact CG2-CG 4.14Å; I1057-R1059 PolarHBondContact O-N 3.08Å
1060Q22.8Very low23.4Very low187 Ų187144 Ų14487%0.87476%0.756SS**  trans-79.2138.2161.3-76.7-176.3-19.200109.5
1061H23.6Very low23.3Very low176 Ų176147.5 Ų147.582%0.81576%0.758SS**  trans-56.1130.4178.6-65.2-79.8000112.7L1063H1061-L1063 HydrophobicContact CB-CD1 4.41Å
1062S23.3Very low23.3Very low116 Ų116148.2 Ų148.281%0.81176%0.763SS**  trans-115.492.3153.7172.90000107.3C1064S1062-C1064 PolarHBondContact O-N 2.84Å
1063L23.5Very low23.2Very low134 Ų134145.9 Ų145.970%0.70276%0.764SS**  trans-72110.9156.1-89.493.8000106.8H1061 S1065H1061-L1063 HydrophobicContact CB-CD1 4.41Å; L1063-S1065 VanDerWaalsContact C-N 3.28Å; L1063-S1065 PolarHBondContact O-N 3.23Å
1064C22.7Very low23.2Very low100 Ų100149.3 Ų149.368%0.67677%0.767SS**  trans-82.486.4150.7-149.40000107.4S1062 T1066S1062-C1064 PolarHBondContact O-N 2.84Å; C1064-T1066 VanDerWaalsContact C-N 3.25Å; C1064-T1066 PolarHBondContact O-N 3.23Å
1065S25.6Very low23.1Very low96 Ų96149.3 Ų149.367%0.67177%0.767SS**  trans-82.433.3-173.759.50000114.6L1063L1063-S1065 VanDerWaalsContact C-N 3.28Å; L1063-S1065 PolarHBondContact O-N 3.23Å
1066T25.5Very low23.1Very low105 Ų105150.7 Ų150.764%0.64477%0.769SS**  trans-101.4-5.9-170.2350000117C1064C1064-T1066 VanDerWaalsContact C-N 3.25Å; C1064-T1066 PolarHBondContact O-N 3.23Å
1067K24.9Very low23.1Very low129 Ų129150.4 Ų150.456%0.56177%0.773SS**SBendtrans-108.2-10.7179.6-87.1-174.5176-179.70117.5R1069K1067-R1069 PolarHBondContact O-N 2.98Å; K1067-R1069 VanDerWaalsContact O-N 3.09Å
1068K24.9Very low23.2Very low213 Ų213147 Ų14793%0.92677%0.769SS**THydrogen-bonded Turntrans-757.8178.9-93.5-171.8178.6-179.10116
1069R22.5Very low23.2Very low249 Ų249151.3 Ų151.394%0.9477%0.773SS**THydrogen-bonded Turntrans-135.912179.1-86.7-169.5173.8175.3-1117K1067 R1071K1067-R1069 PolarHBondContact O-N 2.98Å; K1067-R1069 VanDerWaalsContact O-N 3.09Å; R1069-R1071 PolarHBondContact O-N 3.01Å
1070S22.6Very low23.2Very low90 Ų90149.3 Ų149.363%0.62977%0.774SS**SBendtrans-8999.1175.251.80000112.2
1071R21Very low23.4Very low216 Ų216148.4 Ų148.482%0.81578%0.775SS**  trans6697.8149.2-72.4-179.9159.5178.2-7.5118.6R1069 S1073R1069-R1071 PolarHBondContact O-N 3.01Å; R1071-S1073 PolarHBondContact O-N 3.12Å
1072L21.9Very low23.3Very low150 Ų150147.6 Ų147.679%0.78577%0.773SS**  trans-38.3118.9142.8-68.3143.2000111.6F1074L1072-F1074 HydrophobicContact CB-CE2 4.35Å; L1072-F1074 HydrophobicContact CD2-CE2 3.94Å; L1072-F1074 HydrophobicContact CD2-CZ 3.73Å
1073S21.1Very low23.3Very low109 Ų109151 Ų15176%0.76277%0.774SS**  trans-143.9109153.654.10000108.7R1071R1071-S1073 PolarHBondContact O-N 3.12Å
1074F22.3Very low23.2Very low169 Ų169148.3 Ų148.374%0.74178%0.778SS**  trans-71142.3177.7-59.6-90000110.5L1072L1072-F1074 HydrophobicContact CB-CE2 4.35Å; L1072-F1074 HydrophobicContact CD2-CE2 3.94Å; L1072-F1074 HydrophobicContact CD2-CZ 3.73Å
1075S21.5Very low23.3Very low117 Ų117150.9 Ų150.982%0.81879%0.785SS**  trans-123.8117158660000108.9
1076I23.2Very low23.1Very low154 Ų154155.5 Ų155.579%0.7980%0.796SS**  trans-101.6113.1176.5-69.2171.6000106.9G1078I1076-G1078 VanDerWaalsContact C-N 3.34Å; I1076-G1078 PolarHBondContact O-N 2.86Å; I1076-G1078 VanDerWaalsContact O-N 3.13Å
1077N24Very low23Very low176 Ų176157.7 Ų157.794%0.94180%0.804SS**  trans-78.484.5167.5-91.3-16.4000109.1
1078G24.9Very low22.9Very low56 Ų56158 Ų15858%0.57782%0.817SS**  trans-130.9105.9167.200000108.6I1076 H1080I1076-G1078 VanDerWaalsContact C-N 3.34Å; I1076-G1078 PolarHBondContact O-N 2.86Å; I1076-G1078 VanDerWaalsContact O-N 3.13Å; G1078-H1080 PolarHBondContact O-N 3.05Å
1079K23.7Very low22.7Very low207 Ų207157.5 Ų157.590%0.982%0.818SS**  trans-52104.3174-72.4175.8175.8175.40109.9
1080H22.3Very low22.7Very low187 Ų187150.3 Ų150.387%0.86681%0.806SS**  trans-165.6103.6150.7-99-67.4000108.8G1078 M1082G1078-H1080 PolarHBondContact O-N 3.05Å; H1080-M1082 PolarHBondContact O-N 3.35Å
1081D26.9Very low22.7Very low168 Ų168150.7 Ų150.790%0.89881%0.809SS**  trans-67.2117.6170.8-73.3-43.5000109.9
1082M20.7Very low22.8Very low158 Ų158146.6 Ų146.678%0.77881%0.807SS**  trans-151.8105.1163.4-100.4-172.566.900111.6H1080H1080-M1082 PolarHBondContact O-N 3.35Å
1083F24.2Very low23Very low189 Ų189144.9 Ų144.983%0.82981%0.805SS**  trans73.1114.1151.6-63.2-80.8000121.5
1084G21.8Very low23.2Very low77 Ų77146.1 Ų146.179%0.79481%0.808SS**  96100.7109.600000118.3
1085N23.7Very low23.5Very low154 Ų154141.9 Ų141.982%0.82480%0.799SS**  trans-39.7128.4163.7-83.7-15.1000114.2
1086E21.5Very low24.2Very low192 Ų192143.2 Ų143.290%0.89780%0.803SS**  trans-140.7132.7136-75.4-161.3160.600110.6
1087N23.3Very low25.1Very low151 Ų151144.3 Ų144.381%0.80780%0.802SS**  trans-69.7128-174.6-60.7-43.6000111.5
1088T22.1Very low26.2Very low137 Ų137141.4 Ų141.484%0.8479%0.787SS**  trans-144.1118.9148.9290000109.9S1090T1088-S1090 PolarHBondContact O-N 3.46Å
1089E22.5Very low27.8Very low201 Ų201141.9 Ų141.994%0.93978%0.779SS**  trans-62108.7177.2-63.8173.4159.500110.6
1090S22Very low29.7Very low98 Ų98134.5 Ų134.569%0.68575%0.75SS**SBendtrans-159.8113.5149.652.80000109.4T1088 T1092T1088-S1090 PolarHBondContact O-N 3.46Å; S1090-T1092 PolarHBondContact O-N 2.95Å
1091S22.7Very low32.1Very low99 Ų99125.7 Ų125.769%0.69271%0.709SS**  trans32.276.7162.962.30000114.8P1093S1091-P1093 VanDerWaalsContact O-CD 3.24Å; S1091-P1093 WeakPolarHBondContact O-CD 3.46Å; S1091-P1093 VanDerWaalsContact O-N 3.14Å
1092T22.5Very low34.4Very low129 Ų129121.3 Ų121.379%0.79168%0.684SS**PPolyproline II helixtrans-57.2116.9170.142.50000109.1S1090 V1094S1090-T1092 PolarHBondContact O-N 2.95Å; T1092-V1094 PolarHBondContact O-N 2.92Å
1093P25.9Very low37.2Very low114 Ų114114.8 Ų114.874%0.7465%0.653SS**PPolyproline II helixtrans-62.6124.4165.427.4-29.4000106.3S1091 S1095S1091-P1093 VanDerWaalsContact O-CD 3.24Å; S1091-P1093 WeakPolarHBondContact O-CD 3.46Å; S1091-P1093 VanDerWaalsContact O-N 3.14Å; P1093-S1095 PolarHBondContact O-N 3.45Å; P1093-S1095 VanDerWaalsContact O-N 3.07Å
1094V26Very low39.5Very low136 Ų136109.4 Ų109.482%0.82463%0.632SS**PPolyproline II helixtrans-49.2118.9-176.3177.90000108.6T1092 T1096T1092-V1094 PolarHBondContact O-N 2.92Å; V1094-T1096 PolarHBondContact O-N 2.87Å
1095S28.4Very low41.7Very low79 Ų79110.9 Ų110.955%0.55262%0.618SS**PPolyproline II helixtrans-54.6137.2-167.883.10000111.5P1093 K1097P1093-S1095 PolarHBondContact O-N 3.45Å; P1093-S1095 VanDerWaalsContact O-N 3.07Å; S1095-K1097 PolarHBondContact O-N 3.43Å
1096T35Very low43.4Very low146 Ų146113.4 Ų113.490%0.89663%0.625SS**THydrogen-bonded Turntrans-58.19.3176.543.30000115.7V1094 N1098V1094-T1096 PolarHBondContact O-N 2.87Å; T1096-N1098 VanDerWaalsContact C-N 3.3Å; T1096-N1098 PolarHBondContact O-N 3.03Å
1097K42.9Very low45.7Very low176 Ų176111 Ų11177%0.76561%0.614SS**THydrogen-bonded Turntrans-73.2-20.5-179.3-73.5-169.3174.8-177.70113.6S1095S1095-K1097 PolarHBondContact O-N 3.43Å
1098N46.4Very low47.8Very low116 Ų116107.5 Ų107.562%0.6260%0.601SS**SBendtrans-130.2117.8-180-75.5-5.5000110.8T1096 L1100T1096-N1098 VanDerWaalsContact C-N 3.3Å; T1096-N1098 PolarHBondContact O-N 3.03Å; N1098-L1100 PolarHBondContact O-N 3.06Å
1099P60Low50.4Low65 Ų65104.4 Ų104.442%0.42258%0.576SS.*  trans-60.9136.1175.126.1-33000109.9F1101 I1102 N1124P1099-F1101 PolarHBondContact O-N 3.45Å; P1099-I1102 HydrophobicContact CG-CG1 4.23Å; P1099-N1124 WeakPolarHBondContact O-CB 3.32Å; P1099-N1124 PolarHBondContact O-ND2 3.17Å
1100L63.4Low53.2Low53 Ų5395.7 Ų95.728%0.27754%0.537SS..SBendtrans-63.4-31.4179.3-75171.4000111.9G839 N1098 A1123 N1124 V1125 L1129G839-L1100 WeakPolarHBondContact O-CD1 3.44Å; N1098-L1100 PolarHBondContact O-N 3.06Å; L1100-A1123 CarbonylContact O-C 3.25Å; L1100-A1123 VanDerWaalsContact O-CA 3.32Å; L1100-A1123 WeakPolarHBondContact O-CA 3.47Å; L1100-N1124 PolarHBondContact O-N 3.16Å; L1100-V1125 HydrophobicContact CD2-CG2 4.27Å; L1100-L1129 HydrophobicContact CB-CD1 4.27Å; L1100-L1129 HydrophobicContact CD2-CD1 4.13Å
1101F71.9Confident56Low2 Ų294.4 Ų94.41%0.00952%0.521CS..EExtended strand (participates in β ladder)trans-118.9120.6174.1-62.9-73.1000109.9I819 I837 P1099 F1121 I1122 A1123 L1129 P1131I819-F1101 HydrophobicContact CD1-CD1 3.87Å; I819-F1101 HydrophobicContact CD1-CE1 3.26Å; I819-F1101 HydrophobicContact CD1-CZ 3.64Å; I819-F1101 HydrophobicContact CG1-CE1 4.25Å; I837-F1101 HydrophobicContact CB-CB 4.18Å; I837-F1101 HydrophobicContact CB-CD2 3.98Å; I837-F1101 HydrophobicContact CB-CG 4.38Å; I837-F1101 HydrophobicContact CG2-CD2 3.77Å; I837-F1101 HydrophobicContact CG2-CE2 4.18Å; I837-F1101 HydrophobicContact CG2-CG 4.48Å; P1099-F1101 PolarHBondContact O-N 3.45Å; F1101-F1121 HydrophobicContact CB-CB 4.34Å; F1101-F1121 HydrophobicContact CB-CD1 4.45Å; F1101-I1122 WeakPolarHBondContact CA-O 3.49Å; F1101-A1123 HydrophobicContact CD1-CB 4.1Å; F1101-A1123 HydrophobicContact CE1-CB 3.96Å; F1101-L1129 HydrophobicContact CE1-CB 4.12Å; F1101-L1129 HydrophobicContact CE1-CD1 4.5Å; F1101-L1129 HydrophobicContact CE2-CB 4.36Å; F1101-L1129 HydrophobicContact CZ-CB 3.54Å; F1101-L1129 HydrophobicContact CZ-CD1 4.35Å; F1101-P1131 HydrophobicContact CE2-CB 4.33Å
1102I75.4Confident58.8Low75 Ų7589.7 Ų89.739%0.38549%0.488SS..EExtended strand (participates in β ladder)trans-97.8131.5174.8-62.3169.5000107.8P1099 N1104 F1121 I1122 N1124P1099-I1102 HydrophobicContact CG-CG1 4.23Å; I1102-N1104 PolarHBondContact O-N 2.96Å; I1102-F1121 CarbonylContact O-C 3.57Å; I1102-F1121 VanDerWaalsContact O-CA 3.3Å; I1102-F1121 WeakPolarHBondContact O-CA 3.46Å; I1102-I1122 PolarHBondContact N-O 2.77Å; I1102-I1122 PolarHBondContact O-N 3.08Å; I1102-N1124 HydrophobicContact CD1-CB 3.81Å; I1102-N1124 WeakPolarHBondContact CD1-OD1 3.31Å; I1102-N1124 HydrophobicContact CG1-CB 4.11Å
1103L78.6Confident61.5Low22 Ų2289.5 Ų89.512%0.11548%0.476CS..EExtended strand (participates in β ladder)trans-60124.7172-17682.3000109.4H1105 V1110 F1121L1103-H1105 HydrophobicContact CD2-CB 3.8Å; L1103-H1105 HydrophobicContact CG-CB 4.1Å; L1103-H1105 PolarHBondContact O-N 2.87Å; L1103-V1110 HydrophobicContact CD1-CG2 3.99Å; L1103-V1110 HydrophobicContact CD2-CG2 3.24Å; L1103-V1110 HydrophobicContact CG-CG2 4.21Å; L1103-F1121 HydrophobicContact CB-CD1 4.17Å; L1103-F1121 HydrophobicContact CB-CE1 3.97Å; L1103-F1121 HydrophobicContact CD1-CD1 4.11Å; L1103-F1121 HydrophobicContact CD1-CE1 3.51Å; L1103-F1121 HydrophobicContact CD1-CE2 4Å; L1103-F1121 HydrophobicContact CD1-CZ 3.44Å; L1103-F1121 VanDerWaalsContact CD1-CZ 3.44Å; L1103-F1121 HydrophobicContact CG-CE1 4.37Å
1104N73.6Confident63.9Low75 Ų7586.7 Ų86.740%0.40146%0.458SS..SBendtrans-80.364.8179-172.525000110.7I1102 S1120 I1122I1102-N1104 PolarHBondContact O-N 2.96Å; N1104-S1120 WeakPolarHBondContact CB-O 3.35Å; N1104-S1120 PolarHBondContact N-O 3.46Å; N1104-S1120 PolarHBondContact O-OG 2.9Å; N1104-I1122 HydrophobicContact CB-CD1 3.72Å; N1104-I1122 HydrophobicContact CB-CG1 3.92Å; N1104-I1122 VanDerWaalsContact OD1-CD1 3.27Å; N1104-I1122 WeakPolarHBondContact OD1-CD1 3.45Å
1105H68.5Low66.4Low108 Ų10881.6 Ų81.650%0.543%0.433SS..SBendtrans-142.6151.8176-93.8-74.2000109.4L1103 E1107L1103-H1105 HydrophobicContact CD2-CB 3.8Å; L1103-H1105 HydrophobicContact CG-CB 4.1Å; L1103-H1105 PolarHBondContact O-N 2.87Å; H1105-E1107 PolarHBondContact O-N 2.79Å
1106E58.4Low68.9Low207 Ų20782 Ų8297%0.96743%0.428SS*.SBendtrans-64.7-28.5178.8-65.6-176.6170.800112.9
1107E69.1Low71.3Confident142 Ų14276 Ų7666%0.66439%0.391SS*.SBendtrans-105.1146.9179.8-63.9-175.5-17600111.6H1105 F1109H1105-E1107 PolarHBondContact O-N 2.79Å; E1107-F1109 PolarHBondContact O-N 3.28Å
1108S68.4Low73.2Confident77 Ų7772.1 Ų72.154%0.53837%0.374SS..SBendtrans-70.8-5.4176.857.60000114.5
1109F77.1Confident75Confident72 Ų7266.8 Ų66.832%0.31635%0.345SS..  trans-125.3145.8-175.8-54.2-63.8000110.5K832 E1107 L1139K832-F1109 HydrophobicContact CG-CB 4.23Å; E1107-F1109 PolarHBondContact O-N 3.28Å; F1109-L1139 HydrophobicContact CD1-CD1 3.09Å; F1109-L1139 HydrophobicContact CE1-CD1 3.04Å; F1109-L1139 HydrophobicContact CE1-CD2 4.35Å; F1109-L1139 HydrophobicContact CE1-CG 4.31Å; F1109-L1139 HydrophobicContact CG-CD1 4.07Å; F1109-L1139 HydrophobicContact CZ-CD1 3.96Å
1110V81.5Confident76.1Confident18 Ų1864.5 Ų64.511%0.10933%0.331CS..EExtended strand (participates in β ladder)trans-119.6144.4176.2-169.80000110.6A833 L1103 I1112 L1119A833-V1110 PolarHBondContact N-O 3.08Å; A833-V1110 PolarHBondContact O-N 3.12Å; L1103-V1110 HydrophobicContact CD1-CG2 3.99Å; L1103-V1110 HydrophobicContact CD2-CG2 3.24Å; L1103-V1110 HydrophobicContact CG-CG2 4.21Å; V1110-I1112 PolarHBondContact O-N 2.77Å; V1110-L1119 HydrophobicContact CB-CD2 4.27Å; V1110-L1119 HydrophobicContact CG1-CD2 3.56Å; V1110-L1119 HydrophobicContact CG2-CD2 4.2Å
1111M81.3Confident77.1Confident71 Ų7162 Ų6235%0.3532%0.318SS..EExtended strand (participates in β ladder)trans-85.7104.3168.3-66-54.6-51.300110F831 K832 K1113 I1142F831-M1111 WeakPolarHBondContact O-CA 3.3Å; K832-M1111 HydrophobicContact CB-CE 4.4Å; K832-M1111 HydrophobicContact CB-SD 3.77Å; K832-M1111 HydrophobicContact CG-SD 4.02Å; M1111-K1113 PolarHBondContact O-N 2.99Å; M1111-I1142 HydrophobicContact CE-CB 4.35Å; M1111-I1142 HydrophobicContact CE-CD1 3.51Å; M1111-I1142 HydrophobicContact CE-CG1 4.03Å; M1111-I1142 HydrophobicContact SD-CD1 3.68Å
1112I79.6Confident77.4Confident0 Ų064.6 Ų64.60%033%0.331CS..EExtended strand (participates in β ladder)trans-83111.9174.1-56.9175.1000107.7F801 L823 T830 F831 A833 V835 V1110 N1117 I1136F801-I1112 HydrophobicContact CD1-CG2 4.1Å; F801-I1112 HydrophobicContact CE1-CB 4.42Å; F801-I1112 HydrophobicContact CE1-CD1 4.18Å; F801-I1112 HydrophobicContact CE1-CG2 3.73Å; F801-I1112 HydrophobicContact CZ-CD1 4.43Å; L823-I1112 HydrophobicContact CD2-CD1 3.89Å; L823-I1112 HydrophobicContact CD2-CG1 4.48Å; L823-I1112 HydrophobicContact CD2-CG2 4.1Å; T830-I1112 CarbonylContact C-O 3.57Å; T830-I1112 VanDerWaalsContact CA-O 3.28Å; T830-I1112 WeakPolarHBondContact CA-O 3.33Å; F831-I1112 PolarHBondContact N-O 2.94Å; F831-I1112 PolarHBondContact O-N 3.29Å; A833-I1112 HydrophobicContact CB-CD1 3.75Å; A833-I1112 HydrophobicContact CB-CG1 4.4Å; V835-I1112 HydrophobicContact CG2-CD1 4.29Å; V1110-I1112 PolarHBondContact O-N 2.77Å; I1112-N1117 WeakPolarHBondContact CG2-ND2 3.05Å; I1112-I1136 HydrophobicContact CD1-CD1 3.94Å; I1112-I1136 HydrophobicContact CD1-CG2 3.78Å
1113K80.2Confident77.2Confident126 Ų12661 Ų6155%0.54831%0.313SS..  trans-92.2160.5179.5-63.4-176.3-179.5176.50111.5S825 T830 M1111 G1115 N1117S825-K1113 VanDerWaalsContact CB-O 3.22Å; S825-K1113 WeakPolarHBondContact CB-O 3.42Å; T830-K1113 HydrophobicContact CG2-CB 4.33Å; T830-K1113 HydrophobicContact CG2-CG 4.05Å; M1111-K1113 PolarHBondContact O-N 2.99Å; K1113-G1115 PolarHBondContact O-N 2.86Å; K1113-N1117 PolarHBondContact N-OD1 2.97Å; K1113-N1117 PolarHBondContact O-ND2 3.03Å; K1113-N1117 PolarHBondContact O-OD1 3.05Å
1114P76.3Confident76.8Confident54 Ų5462.6 Ų62.635%0.35132%0.321SS..SBendtrans-51.8137.2169.1-2937.2000112S827 D828S827-P1114 WeakPolarHBondContact O-CA 3.29Å; S827-P1114 VanDerWaalsContact O-CB 3.24Å; S827-P1114 WeakPolarHBondContact O-CB 3.25Å; D828-P1114 WeakPolarHBondContact O-CG 3.31Å
1115G78.5Confident76.4Confident29 Ų2962.1 Ų62.130%0.29932%0.321SS..EExtended strand (participates in β ladder)trans87.3-150.8-178.800000113.9K824 S825 K1113 N1117K824-G1115 CarbonylContact C-O 3.56Å; K824-G1115 WeakPolarHBondContact CA-O 3.37Å; S825-G1115 PolarHBondContact N-O 3.4Å; S825-G1115 PolarHBondContact O-N 3.09Å; S825-G1115 VanDerWaalsContact O-N 3.07Å; K1113-G1115 PolarHBondContact O-N 2.86Å; G1115-N1117 PolarHBondContact O-ND2 3.17Å; G1115-N1117 VanDerWaalsContact O-ND2 3.12Å
1116L81.6Confident75.8Confident89 Ų8960.6 Ų60.647%0.46632%0.321SS..EExtended strand (participates in β ladder)trans-83.5121-172.9-73166.2000112.1K804 K824K804-L1116 HydrophobicContact CB-CD2 4.21Å; K804-L1116 HydrophobicContact CD-CD1 4.23Å; K804-L1116 HydrophobicContact CD-CD2 3.48Å; K804-L1116 VanDerWaalsContact CD-CD2 3.48Å; K804-L1116 HydrophobicContact CG-CD2 4.46Å; K824-L1116 HydrophobicContact CB-CD2 3.82Å; K824-L1116 HydrophobicContact CG-CD2 4.23Å
1117N83.7Confident75.8Confident20 Ų2052.6 Ų52.611%0.10729%0.293CS..EExtended strand (participates in β ladder)trans-110.8126.6174.7-58.2-86.1000108.7Q822 L823 I1112 K1113 G1115Q822-N1117 CarbonylContact C-O 3.56Å; Q822-N1117 WeakPolarHBondContact CA-O 3.46Å; L823-N1117 PolarHBondContact N-O 3.39Å; L823-N1117 PolarHBondContact O-N 2.9Å; L823-N1117 PolarHBondContact O-ND2 3.44Å; I1112-N1117 WeakPolarHBondContact CG2-ND2 3.05Å; K1113-N1117 PolarHBondContact N-OD1 2.97Å; K1113-N1117 PolarHBondContact O-ND2 3.03Å; K1113-N1117 PolarHBondContact O-OD1 3.05Å; G1115-N1117 PolarHBondContact O-ND2 3.17Å; G1115-N1117 VanDerWaalsContact O-ND2 3.12Å
1118K82.8Confident75.6Confident94 Ų9447.2 Ų47.241%0.40927%0.268SS..EExtended strand (participates in β ladder)trans-101.3121174.3-169.8166.1179.4163.40108.2E807 F820 I821E807-K1118 IonicContact OE2-NZ 3.64Å; E807-K1118 PolarHBondContact OE2-NZ 3.36Å; E807-K1118 VanDerWaalsContact OE2-NZ 3.11Å; F820-K1118 HydrophobicContact CD1-CD 4.39Å; F820-K1118 VanDerWaalsContact CD1-CE 3.41Å; F820-K1118 HydrophobicContact CD1-CG 4.26Å; I821-K1118 CarbonylContact O-C 3.48Å; I821-K1118 WeakPolarHBondContact O-CA 3.39Å
1119L85Confident75.7Confident4 Ų444 Ų442%0.02125%0.245CC..EExtended strand (participates in β ladder)trans-114.2143.7179-57.4179.9000108.9F820 I821 V835 V1110 F1121F820-L1119 CarbonylContact C-O 3.49Å; F820-L1119 VanDerWaalsContact CA-O 3.31Å; F820-L1119 WeakPolarHBondContact CA-O 3.24Å; I821-L1119 PolarHBondContact N-O 3.3Å; I821-L1119 PolarHBondContact O-N 2.89Å; V835-L1119 HydrophobicContact CB-CD1 4.29Å; V835-L1119 HydrophobicContact CG1-CD1 4.16Å; V835-L1119 HydrophobicContact CG2-CD1 3.97Å; V1110-L1119 HydrophobicContact CB-CD2 4.27Å; V1110-L1119 HydrophobicContact CG1-CD2 3.56Å; V1110-L1119 HydrophobicContact CG2-CD2 4.2Å; L1119-F1121 HydrophobicContact CB-CD2 4.43Å; L1119-F1121 HydrophobicContact CB-CE2 3.63Å; L1119-F1121 HydrophobicContact CB-CZ 4.32Å; L1119-F1121 HydrophobicContact CD1-CE2 4.35Å; L1119-F1121 HydrophobicContact CD1-CZ 4.4Å
1120S83.1Confident75.5Confident17 Ų1741.9 Ų41.912%0.11924%0.236CC..EExtended strand (participates in β ladder)trans-115.8138.4176.545.20000110.8I819 N1104I819-S1120 CarbonylContact O-C 3.52Å; I819-S1120 WeakPolarHBondContact O-CA 3.42Å; N1104-S1120 WeakPolarHBondContact CB-O 3.35Å; N1104-S1120 PolarHBondContact N-O 3.46Å; N1104-S1120 PolarHBondContact O-OG 2.9Å
1121F83.8Confident75.2Confident0 Ų041.1 Ų41.10%023%0.232CC..EExtended strand (participates in β ladder)trans-130.3143.3179.2-65-96.1000110L818 I819 I821 V835 I837 F1101 I1102 L1103 L1119L818-F1121 WeakPolarHBondContact CA-O 3.15Å; I819-F1121 HydrophobicContact CB-CB 4.49Å; I819-F1121 PolarHBondContact N-O 2.91Å; I819-F1121 PolarHBondContact O-N 3.17Å; I821-F1121 HydrophobicContact CD1-CD2 3.93Å; I821-F1121 HydrophobicContact CD1-CE2 3.79Å; V835-F1121 HydrophobicContact CB-CZ 4.04Å; V835-F1121 HydrophobicContact CG1-CE1 4.38Å; V835-F1121 HydrophobicContact CG1-CZ 3.65Å; I837-F1121 HydrophobicContact CD1-CB 4.13Å; I837-F1121 HydrophobicContact CD1-CD1 3.57Å; I837-F1121 HydrophobicContact CD1-CD2 3.43Å; I837-F1121 VanDerWaalsContact CD1-CD2 3.43Å; I837-F1121 HydrophobicContact CD1-CE1 3.74Å; I837-F1121 HydrophobicContact CD1-CE2 3.6Å; I837-F1121 HydrophobicContact CD1-CG 3.42Å; I837-F1121 VanDerWaalsContact CD1-CG 3.42Å; I837-F1121 HydrophobicContact CD1-CZ 3.75Å; I837-F1121 HydrophobicContact CG1-CD1 4.36Å; I837-F1121 HydrophobicContact CG1-CE1 4.18Å; I837-F1121 HydrophobicContact CG1-CZ 4.26Å; F1101-F1121 HydrophobicContact CB-CB 4.34Å; F1101-F1121 HydrophobicContact CB-CD1 4.45Å; I1102-F1121 CarbonylContact O-C 3.57Å; I1102-F1121 VanDerWaalsContact O-CA 3.3Å; I1102-F1121 WeakPolarHBondContact O-CA 3.46Å; L1103-F1121 HydrophobicContact CB-CD1 4.17Å; L1103-F1121 HydrophobicContact CB-CE1 3.97Å; L1103-F1121 HydrophobicContact CD1-CD1 4.11Å; L1103-F1121 HydrophobicContact CD1-CE1 3.51Å; L1103-F1121 HydrophobicContact CD1-CE2 4Å; L1103-F1121 HydrophobicContact CD1-CZ 3.44Å; L1103-F1121 VanDerWaalsContact CD1-CZ 3.44Å; L1103-F1121 HydrophobicContact CG-CE1 4.37Å; L1119-F1121 HydrophobicContact CB-CD2 4.43Å; L1119-F1121 HydrophobicContact CB-CE2 3.63Å; L1119-F1121 HydrophobicContact CB-CZ 4.32Å; L1119-F1121 HydrophobicContact CD1-CE2 4.35Å; L1119-F1121 HydrophobicContact CD1-CZ 4.4Å
1122I78.4Confident75Confident56 Ų5641.7 Ų41.729%0.28723%0.234SC..EExtended strand (participates in β ladder)trans-112.8130.9174.4-67161.4000107.9Q817 L818 F1101 I1102 N1104 N1124Q817-I1122 WeakPolarHBondContact O-CA 3.34Å; L818-I1122 HydrophobicContact CD1-CD1 4.26Å; L818-I1122 HydrophobicContact CD1-CG1 3.38Å; F1101-I1122 WeakPolarHBondContact CA-O 3.49Å; I1102-I1122 PolarHBondContact N-O 2.77Å; I1102-I1122 PolarHBondContact O-N 3.08Å; N1104-I1122 HydrophobicContact CB-CD1 3.72Å; N1104-I1122 HydrophobicContact CB-CG1 3.92Å; N1104-I1122 VanDerWaalsContact OD1-CD1 3.27Å; N1104-I1122 WeakPolarHBondContact OD1-CD1 3.45Å; I1122-N1124 PolarHBondContact O-N 2.88Å
1123A72.7Confident74.9Confident0 Ų044.9 Ų44.90%025%0.249CC..EExtended strand (participates in β ladder)trans-62.5130.8168.700000109.9Y816 Q817 L1100 F1101 V1125 L1129Y816-A1123 WeakPolarHBondContact CD1-O 3.46Å; Q817-A1123 HydrophobicContact CB-CB 3.91Å; Q817-A1123 PolarHBondContact O-N 3.49Å; L1100-A1123 CarbonylContact O-C 3.25Å; L1100-A1123 VanDerWaalsContact O-CA 3.32Å; L1100-A1123 WeakPolarHBondContact O-CA 3.47Å; F1101-A1123 HydrophobicContact CD1-CB 4.1Å; F1101-A1123 HydrophobicContact CE1-CB 3.96Å; A1123-V1125 PolarHBondContact O-N 3.24Å; A1123-L1129 HydrophobicContact CB-CD1 4.13Å
1124N69.2Low74.9Confident55 Ų5538.9 Ų38.929%0.29422%0.223SC..SBendtrans-78.8-6.9180-165.419.7000112.9P1099 L1100 I1102 I1122P1099-N1124 WeakPolarHBondContact O-CB 3.32Å; P1099-N1124 PolarHBondContact O-ND2 3.17Å; L1100-N1124 PolarHBondContact O-N 3.16Å; I1102-N1124 HydrophobicContact CD1-CB 3.81Å; I1102-N1124 WeakPolarHBondContact CD1-OD1 3.31Å; I1102-N1124 HydrophobicContact CG1-CB 4.11Å; I1122-N1124 PolarHBondContact O-N 2.88Å
1125V65.3Low75Confident65 Ų6539.1 Ų39.139%0.39422%0.218SC..SBendtrans-124.6133.7179.7-1740000108.1L1100 A1123 G1127L1100-V1125 HydrophobicContact CD2-CG2 4.27Å; A1123-V1125 PolarHBondContact O-N 3.24Å; V1125-G1127 PolarHBondContact O-N 3.03Å
1126P57Low75Confident77 Ų7737.8 Ų37.850%0.520%0.204SC..SBendtrans-66.6132.1175.927.2-32.2000109.9G815 Y816G815-P1126 WeakPolarHBondContact O-CA 3.41Å; Y816-P1126 HydrophobicContact CD1-CB 4.35Å; Y816-P1126 HydrophobicContact CE1-CB 4.22Å; Y816-P1126 VanDerWaalsContact CE1-CD 3.49Å; Y816-P1126 HydrophobicContact CE1-CG 4.33Å
1127G58.2Low74.8Confident38 Ų3834.7 Ų34.739%0.39219%0.188SC..SBendtrans135.8-174.5-17200000112.8G815 V1125G815-G1127 PolarHBondContact O-N 3.22Å; V1125-G1127 PolarHBondContact O-N 3.03Å
1128F65.1Low74.4Confident30 Ų3033.9 Ų33.913%0.13218%0.184CC..  trans-107.8121.8177.5-173.4-91.8000109.1L808 P842 W847 L850 I1130 W1181 M1187L808-F1128 HydrophobicContact CD1-CE2 3.99Å; P842-F1128 HydrophobicContact CB-CD1 4.26Å; P842-F1128 WeakPolarHBondContact CD-O 3.48Å; P842-F1128 HydrophobicContact CG-CD1 3.89Å; W847-F1128 HydrophobicContact CH2-CB 4.42Å; W847-F1128 AromaticContact CH2-CD1 3.98Å; W847-F1128 HydrophobicContact CH2-CD1 3.98Å; W847-F1128 HydrophobicContact CH2-CE1 4.31Å; W847-F1128 HydrophobicContact CH2-CG 4.19Å; W847-F1128 HydrophobicContact CZ2-CD1 4.2Å; L850-F1128 HydrophobicContact CD1-CE1 4.01Å; L850-F1128 HydrophobicContact CD1-CZ 4.21Å; F1128-I1130 HydrophobicContact CD1-CG1 4.45Å; F1128-I1130 HydrophobicContact CE1-CG1 4.01Å; F1128-W1181 AromaticContact CE1-CZ3 3.79Å; F1128-W1181 HydrophobicContact CE1-CZ3 3.79Å; F1128-W1181 HydrophobicContact CE2-CE3 4.26Å; F1128-W1181 HydrophobicContact CE2-CH2 4.37Å; F1128-W1181 AromaticContact CE2-CZ3 3.78Å; F1128-W1181 HydrophobicContact CE2-CZ3 3.78Å; F1128-W1181 AromaticContact CZ-CE3 3.65Å; F1128-W1181 HydrophobicContact CZ-CE3 3.65Å; F1128-W1181 HydrophobicContact CZ-CH2 4.06Å; F1128-W1181 AromaticContact CZ-CZ3 3.14Å; F1128-W1181 HydrophobicContact CZ-CZ3 3.14Å; F1128-M1187 HydrophobicContact CE2-SD 4.25Å; F1128-M1187 HydrophobicContact CZ-CE 4.33Å; F1128-M1187 HydrophobicContact CZ-SD 4.34Å
1129L69.9Low73.5Confident10 Ų1030.7 Ų30.75%0.05217%0.171CC..  trans-120.7140.9178.7-65.1171.9000109.3Q817 E841 L1100 F1101 A1123Q817-L1129 PolarHBondContact NE2-O 3.21Å; Q817-L1129 PolarHBondContact OE1-O 2.89Å; Q817-L1129 VanDerWaalsContact OE1-O 3.05Å; E841-L1129 HydrophobicContact CG-CD2 3.77Å; L1100-L1129 HydrophobicContact CB-CD1 4.27Å; L1100-L1129 HydrophobicContact CD2-CD1 4.13Å; F1101-L1129 HydrophobicContact CE1-CB 4.12Å; F1101-L1129 HydrophobicContact CE1-CD1 4.5Å; F1101-L1129 HydrophobicContact CE2-CB 4.36Å; F1101-L1129 HydrophobicContact CZ-CB 3.54Å; F1101-L1129 HydrophobicContact CZ-CD1 4.35Å; A1123-L1129 HydrophobicContact CB-CD1 4.13Å
1130I72.1Confident72.2Confident26 Ų2632.5 Ų32.513%0.13318%0.181CC..EExtended strand (participates in β ladder)trans-98.6123.4178.2-59178.7000108.9G839 S840 P842 D846 L850 F1128G839-I1130 CarbonylContact C-O 3.48Å; G839-I1130 WeakPolarHBondContact CA-O 3.32Å; S840-I1130 PolarHBondContact N-O 2.95Å; S840-I1130 PolarHBondContact O-N 3.4Å; P842-I1130 HydrophobicContact CB-CD1 3.75Å; P842-I1130 HydrophobicContact CB-CG1 4.17Å; D846-I1130 HydrophobicContact CB-CD1 3.58Å; L850-I1130 HydrophobicContact CD1-CD1 4.45Å; F1128-I1130 HydrophobicContact CD1-CG1 4.45Å; F1128-I1130 HydrophobicContact CE1-CG1 4.01Å
1131P76.2Confident70.9Confident3 Ų333.6 Ų33.62%0.01918%0.184CC..EExtended strand (participates in β ladder)trans-72.5133.4175.731.5-34.9000111.2I806 I819 I837 S838 F1101 I1172 F1177I806-P1131 HydrophobicContact CD1-CG 4.35Å; I806-P1131 HydrophobicContact CG2-CG 4.5Å; I819-P1131 HydrophobicContact CD1-CB 4.48Å; I819-P1131 HydrophobicContact CD1-CG 4.19Å; I837-P1131 HydrophobicContact CG2-CB 3.61Å; S838-P1131 WeakPolarHBondContact O-CA 3.33Å; F1101-P1131 HydrophobicContact CE2-CB 4.33Å; P1131-I1172 HydrophobicContact CB-CD1 3.78Å; P1131-I1172 HydrophobicContact CG-CD1 4.43Å; P1131-F1177 HydrophobicContact CG-CE1 3.7Å; P1131-F1177 HydrophobicContact CG-CZ 4.01Å
1132E75.8Confident69.3Low82 Ų8236.1 Ų36.138%0.38320%0.197SC..EExtended strand (participates in β ladder)trans-111.7-52.8-174.9-68.9-173.6164.700113S838 S840 I1172S838-E1132 PolarHBondContact O-N 3.39Å; S840-E1132 WeakPolarHBondContact CB-OE1 3.34Å; S840-E1132 PolarHBondContact OG-OE1 2.91Å; E1132-I1172 WeakPolarHBondContact O-CB 3.38Å; E1132-I1172 PolarHBondContact O-N 3.13Å
1133Q77.8Confident67.7Low68 Ų6836.5 Ų36.532%0.31820%0.2SC..EExtended strand (participates in β ladder)trans-131.9143.5179.2-53-176.2-44.900111.5I837 S838 F1135 S1170 D1171I837-Q1133 WeakPolarHBondContact CA-O 3.42Å; S838-Q1133 PolarHBondContact N-O 2.91Å; S838-Q1133 WeakPolarHBondContact OG-CB 3.29Å; S838-Q1133 PolarHBondContact OG-N 2.93Å; S838-Q1133 VanDerWaalsContact OG-N 3.16Å; S838-Q1133 PolarHBondContact OG-O 2.87Å; Q1133-F1135 HydrophobicContact CB-CE2 3.77Å; Q1133-F1135 HydrophobicContact CB-CZ 4.13Å; Q1133-S1170 WeakPolarHBondContact CA-O 3.47Å; Q1133-D1171 WeakPolarHBondContact CG-OD1 3.48Å; Q1133-D1171 PolarHBondContact NE2-OD1 3.48Å
1134I80.1Confident66.2Low0 Ų041.2 Ų41.20%023%0.229CC..EExtended strand (participates in β ladder)trans-107.9134.1173.5-177.5169.4000110.2M797 L803 I821 V835 I837 I1136 V1169 S1170 I1172M797-I1134 HydrophobicContact SD-CB 4.42Å; M797-I1134 HydrophobicContact SD-CG1 4.36Å; M797-I1134 HydrophobicContact SD-CG2 3.44Å; M797-I1134 WeakPolarHBondContact SD-CG2 3.48Å; L803-I1134 HydrophobicContact CD1-CD1 4Å; L803-I1134 HydrophobicContact CD2-CG2 4.49Å; I821-I1134 HydrophobicContact CD1-CD1 4.34Å; I821-I1134 HydrophobicContact CG2-CD1 4.35Å; V835-I1134 HydrophobicContact CG1-CD1 3.98Å; V835-I1134 HydrophobicContact CG1-CG1 4.03Å; I837-I1134 HydrophobicContact CG1-CG1 4.47Å; I1134-I1136 HydrophobicContact CG1-CG1 4.43Å; I1134-V1169 WeakPolarHBondContact O-CA 3.45Å; I1134-S1170 WeakPolarHBondContact CG2-O 3.27Å; I1134-S1170 PolarHBondContact N-O 3.43Å; I1134-S1170 PolarHBondContact O-N 3.09Å; I1134-I1172 HydrophobicContact CG2-CG1 4.31Å
1135F78.7Confident64.7Low59 Ų5946.7 Ų46.726%0.25925%0.252SS..EExtended strand (participates in β ladder)trans-117.7126.6179.4-59.6-101000108.7V835 H836 Q1133 F1168 V1169V835-F1135 CarbonylContact C-O 3.56Å; V835-F1135 WeakPolarHBondContact CA-O 3.39Å; H836-F1135 HydrophobicContact CB-CB 4.3Å; H836-F1135 PolarHBondContact N-O 3.27Å; H836-F1135 PolarHBondContact O-N 3.4Å; Q1133-F1135 HydrophobicContact CB-CE2 3.77Å; Q1133-F1135 HydrophobicContact CB-CZ 4.13Å; F1135-F1168 CarbonylContact C-O 3.09Å; F1135-F1168 WeakPolarHBondContact CA-O 3.46Å; F1135-V1169 HydrophobicContact CB-CG2 4.42Å; F1135-V1169 HydrophobicContact CD1-CB 4.25Å; F1135-V1169 HydrophobicContact CD1-CG1 4.05Å; F1135-V1169 HydrophobicContact CD1-CG2 3.18Å; F1135-V1169 HydrophobicContact CE1-CB 4.36Å; F1135-V1169 HydrophobicContact CE1-CG1 3.79Å; F1135-V1169 HydrophobicContact CE1-CG2 3.55Å; F1135-V1169 HydrophobicContact CG-CG2 4.01Å; F1135-V1169 HydrophobicContact CZ-CG1 4.16Å
1136I79Confident63.1Low0 Ų051.7 Ų51.70%027%0.269CS..EExtended strand (participates in β ladder)trans-119.8108.8174.2-57.4-156.6000108.7M797 F801 L823 A833 V835 I1112 I1134 F1168M797-I1136 HydrophobicContact CE-CB 4.5Å; M797-I1136 HydrophobicContact CE-CD1 3.15Å; M797-I1136 HydrophobicContact CE-CG1 3.54Å; M797-I1136 HydrophobicContact SD-CD1 4.39Å; M797-I1136 HydrophobicContact SD-CG1 4.19Å; F801-I1136 HydrophobicContact CD2-CD1 4.38Å; F801-I1136 HydrophobicContact CD2-CG2 4.45Å; F801-I1136 HydrophobicContact CE2-CG2 4.1Å; F801-I1136 HydrophobicContact CG-CD1 4.35Å; L823-I1136 HydrophobicContact CD1-CD1 4.07Å; L823-I1136 HydrophobicContact CD2-CD1 3.3Å; L823-I1136 HydrophobicContact CG-CD1 4.31Å; A833-I1136 HydrophobicContact CB-CG2 3.69Å; V835-I1136 HydrophobicContact CG1-CG1 4.25Å; V835-I1136 HydrophobicContact CG2-CD1 4.26Å; V835-I1136 HydrophobicContact CG2-CG1 4.2Å; V835-I1136 HydrophobicContact CG2-CG2 4.49Å; I1112-I1136 HydrophobicContact CD1-CD1 3.94Å; I1112-I1136 HydrophobicContact CD1-CG2 3.78Å; I1134-I1136 HydrophobicContact CG1-CG1 4.43Å; I1136-F1168 HydrophobicContact CB-CB 4.4Å; I1136-F1168 PolarHBondContact N-O 3.12Å; I1136-F1168 PolarHBondContact O-N 3.34Å
1137N77.7Confident61.8Low24 Ų2455.9 Ų55.913%0.12828%0.279CS..EExtended strand (participates in β ladder)trans-97.9105.7176.3-59.7-1.5000108.7A833 S834 L1139 V1166 N1167A833-N1137 CarbonylContact C-O 3.56Å; A833-N1137 WeakPolarHBondContact CA-O 3.26Å; A833-N1137 WeakPolarHBondContact CB-O 3.44Å; S834-N1137 PolarHBondContact N-O 3.4Å; S834-N1137 PolarHBondContact O-N 2.85Å; S834-N1137 WeakPolarHBondContact OG-CB 3.48Å; N1137-L1139 PolarHBondContact O-N 3.11Å; N1137-V1166 WeakPolarHBondContact CA-O 3.27Å; N1137-N1167 VanDerWaalsContact CB-OD1 3.26Å; N1137-N1167 WeakPolarHBondContact CB-OD1 3.45Å; N1137-N1167 PolarHBondContact ND2-OD1 3.24Å; N1137-N1167 WeakPolarHBondContact OD1-CB 3.39Å; N1137-N1167 PolarHBondContact OD1-OD1 3.02Å
1138C75Confident60.6Low3 Ų363.2 Ų63.22%0.0230%0.304CS..EExtended strand (participates in β ladder)trans-78.9115.9174.6-67.60000109.3W773 V1166 F1168W773-C1138 HydrophobicContact CH2-CB 4.35Å; C1138-V1166 PolarHBondContact N-O 3.07Å; C1138-V1166 PolarHBondContact O-N 2.8Å; C1138-F1168 HydrophobicContact CB-CE2 4.47Å
1139L63.3Low59.1Low28 Ų2866.5 Ų66.515%0.14734%0.337CS..EExtended strand (participates in β ladder)trans-94.4-35.2-176.1-69.7139.4000112.3K832 F1109 N1137 R1163 E1165K832-L1139 PolarHBondContact O-N 3.06Å; F1109-L1139 HydrophobicContact CD1-CD1 3.09Å; F1109-L1139 HydrophobicContact CE1-CD1 3.04Å; F1109-L1139 HydrophobicContact CE1-CD2 4.35Å; F1109-L1139 HydrophobicContact CE1-CG 4.31Å; F1109-L1139 HydrophobicContact CG-CD1 4.07Å; F1109-L1139 HydrophobicContact CZ-CD1 3.96Å; N1137-L1139 PolarHBondContact O-N 3.11Å; L1139-R1163 WeakPolarHBondContact O-CB 3.44Å; L1139-R1163 VanDerWaalsContact O-CG 3.23Å; L1139-R1163 WeakPolarHBondContact O-CG 3.11Å; L1139-E1165 HydrophobicContact CD2-CG 3.85Å; L1139-E1165 VanDerWaalsContact CD2-OE1 3.22Å; L1139-E1165 WeakPolarHBondContact CD2-OE1 3.19Å
1140D58Low57.1Low42 Ų4270.4 Ų70.423%0.22536%0.364CS..EExtended strand (participates in β ladder)trans-161.3143.6-173-161.335.2000113K832 R1163K832-D1140 PolarHBondContact N-O 3.36Å; K832-D1140 VanDerWaalsContact N-O 3.11Å; D1140-R1163 IonicContact OD1-CZ 3.74Å; D1140-R1163 IonicContact OD1-NE 3.87Å; D1140-R1163 PolarHBondContact OD1-NE 2.94Å; D1140-R1163 IonicContact OD1-NH1 3.9Å; D1140-R1163 IonicContact OD1-NH2 2.78Å; D1140-R1163 PolarHBondContact OD1-NH2 2.89Å; D1140-R1163 IonicContact OD2-CZ 3.99Å; D1140-R1163 IonicContact OD2-NE 3.09Å; D1140-R1163 PolarHBondContact OD2-NE 3.33Å; D1140-R1163 IonicContact OD2-NH1 3.24Å; D1140-R1163 PolarHBondContact OD2-NH1 2.91Å; D1140-R1163 IonicContact OD2-NH2 3.86Å; D1140-R1163 PolarHBondContact OD2-NH2 2.77Å
1141E55.9Low55.1Low40 Ų4080.8 Ų80.819%0.18740%0.402CS..EExtended strand (participates in β ladder)trans-89.3119.1173.7-177.2175.8-177.500109.5N770 R829 N1143N770-E1141 PolarHBondContact OD1-OE1 2.66Å; R829-E1141 WeakPolarHBondContact CD-OE1 3.22Å; R829-E1141 IonicContact CZ-OE1 3.29Å; R829-E1141 IonicContact NE-OE1 3.46Å; R829-E1141 IonicContact NH1-OE1 3.69Å; R829-E1141 PolarHBondContact NH1-OE1 3.05Å; R829-E1141 IonicContact NH1-OE2 2.98Å; R829-E1141 PolarHBondContact NH1-OE2 2.9Å; R829-E1141 IonicContact NH2-OE1 2.74Å; E1141-N1143 PolarHBondContact O-N 2.76Å
1142I49.5Very low52.9Low53 Ų5388.4 Ų88.427%0.27244%0.437SS..  trans-93.996.5171.2-54.1-171.3000107.8T830 M1111 T1144T830-I1142 PolarHBondContact OG1-O 3.44Å; M1111-I1142 HydrophobicContact CE-CB 4.35Å; M1111-I1142 HydrophobicContact CE-CD1 3.51Å; M1111-I1142 HydrophobicContact CE-CG1 4.03Å; M1111-I1142 HydrophobicContact SD-CD1 3.68Å; I1142-T1144 VanDerWaalsContact C-N 3.35Å; I1142-T1144 HydrophobicContact CG2-CG2 4.41Å; I1142-T1144 PolarHBondContact O-N 3.39Å
1143N44.5Very low50.6Low63 Ų6394.2 Ų94.234%0.33747%0.465SS..  trans-65.797.8164.1-93.1-37000108.3E1141 E1145 F1146E1141-N1143 PolarHBondContact O-N 2.76Å; N1143-E1145 PolarHBondContact O-N 3.36Å; N1143-F1146 PolarHBondContact O-N 2.94Å
1144T42.7Very low48.1Very low99 Ų9998 Ų9861%0.60748%0.482SS*.THydrogen-bonded Turntrans-61.6-11.9178.444.10000113I1142I1142-T1144 VanDerWaalsContact C-N 3.35Å; I1142-T1144 HydrophobicContact CG2-CG2 4.41Å; I1142-T1144 PolarHBondContact O-N 3.39Å
1145E36.7Very low45.6Very low170 Ų170103.9 Ų103.979%0.79452%0.523SS*.THydrogen-bonded Turntrans-74.6-23.3179.4-65-167.2157.500114.2N1143N1143-E1145 PolarHBondContact O-N 3.36Å
1146F32.2Very low42.9Very low171 Ų171109 Ų10975%0.7555%0.55SS*.SBendtrans-96.2-9.1-173.8-90.2-81.2000116N1143N1143-F1146 PolarHBondContact O-N 2.94Å
1147K30.3Very low40.3Very low164 Ų164117.2 Ų117.271%0.71359%0.588SS**THydrogen-bonded Turntrans-91.42.1-173.2-94.5-170.7177.6-177.40116.7
1148E31.8Very low37.8Very low192 Ų192121 Ų12190%0.89761%0.614SS**THydrogen-bonded Turntrans-85.7-5.9175.9-74.7-168.2158.600114.7
1149A33.1Very low35.4Very low100 Ų100125.8 Ų125.883%0.82665%0.648SS**SBendtrans-100.3-11.5-17600000116.3
1150S29.2Very low33.9Very low91 Ų91131.9 Ų131.964%0.63668%0.68SS**  trans-120.480.3-177.759.40000111.4E1152S1150-E1152 PolarHBondContact O-N 2.94Å
1151R28.8Very low32.6Very low245 Ų245137.6 Ų137.693%0.92571%0.711SS**  trans-73.772.5162.2-79.8-173.7174.2-178.70.3109.8
1152E30.7Very low31.5Very low163 Ų163140 Ų14076%0.76273%0.732SS**  trans-139.8111.5155.9-72.2-165.4167.700108.4S1150 Q1154S1150-E1152 PolarHBondContact O-N 2.94Å; E1152-Q1154 PolarHBondContact O-N 3.15Å
1153Q27.5Very low31.3Very low204 Ų204144.7 Ų144.795%0.95375%0.746SS**  trans-68.681.5172-72.2173.6-36.300108.3
1154Q26.2Very low31.7Very low147 Ų147145 Ų14569%0.68775%0.753SS**  trans-102.3116.8154.7-73.5-174.81.900107E1152 M1156E1152-Q1154 PolarHBondContact O-N 3.15Å; Q1154-M1156 PolarHBondContact O-N 3.31Å
1155S25.9Very low32.7Very low123 Ų123145 Ų14586%0.8675%0.746SS**  trans-61.381.1168.451.90000108.6E1157S1155-E1157 PolarHBondContact O-N 3.42Å; S1155-E1157 VanDerWaalsContact O-N 3.11Å
1156M23.9Very low34.1Very low166 Ų166136.9 Ų136.982%0.81871%0.709SS**  trans-67.9102.6165.8-85.1-78.7-157.500106.9Q1154Q1154-M1156 PolarHBondContact O-N 3.31Å
1157E23.6Very low35.9Very low174 Ų174131.2 Ų131.281%0.81369%0.686SS**  trans-54.3133.9160.2-78.7-171.1152.500108.2S1155 S1159S1155-E1157 PolarHBondContact O-N 3.42Å; S1155-E1157 VanDerWaalsContact O-N 3.11Å; E1157-S1159 PolarHBondContact O-N 2.93Å; E1157-S1159 VanDerWaalsContact O-N 3.1Å
1158P25.5Very low38Very low102 Ų102123.4 Ų123.466%0.66265%0.652SS**  trans-63.8117.4-174.225.8-31.7000109.5N1160P1158-N1160 PolarHBondContact O-N 2.95Å
1159S25Very low39.8Very low104 Ų104114.9 Ų114.973%0.72761%0.613SS**  trans-59.7109.6171.455.20000109.5E1157 N1161E1157-S1159 PolarHBondContact O-N 2.93Å; E1157-S1159 VanDerWaalsContact O-N 3.1Å; S1159-N1161 PolarHBondContact O-N 3.27Å
1160N30.1Very low41.7Very low156 Ų156111.9 Ų111.983%0.83459%0.586SS**THydrogen-bonded Turntrans-66.113.8-172.7-85.3-18.7000116.6P1158P1158-N1160 PolarHBondContact O-N 2.95Å
1161N31.7Very low43.7Very low162 Ų162112.8 Ų112.887%0.86658%0.584SS**THydrogen-bonded Turntrans-116.116.1-166.4-90.64.9000117.7S1159S1159-N1161 PolarHBondContact O-N 3.27Å
1162S31.8Very low45.7Very low90 Ų90102.1 Ų102.163%0.62955%0.545SS*.  trans-159.9118.4163.558.90000110.5
1163R46.7Very low47.5Very low153 Ų15398.9 Ų98.958%0.57753%0.533SS*.  trans-176.6114.8148-98.6143.6-167-172.4-3.5110.3L1139 D1140 E1165L1139-R1163 WeakPolarHBondContact O-CB 3.44Å; L1139-R1163 VanDerWaalsContact O-CG 3.23Å; L1139-R1163 WeakPolarHBondContact O-CG 3.11Å; D1140-R1163 IonicContact OD1-CZ 3.74Å; D1140-R1163 IonicContact OD1-NE 3.87Å; D1140-R1163 PolarHBondContact OD1-NE 2.94Å; D1140-R1163 IonicContact OD1-NH1 3.9Å; D1140-R1163 IonicContact OD1-NH2 2.78Å; D1140-R1163 PolarHBondContact OD1-NH2 2.89Å; D1140-R1163 IonicContact OD2-CZ 3.99Å; D1140-R1163 IonicContact OD2-NE 3.09Å; D1140-R1163 PolarHBondContact OD2-NE 3.33Å; D1140-R1163 IonicContact OD2-NH1 3.24Å; D1140-R1163 PolarHBondContact OD2-NH1 2.91Å; D1140-R1163 IonicContact OD2-NH2 3.86Å; D1140-R1163 PolarHBondContact OD2-NH2 2.77Å; R1163-E1165 PolarHBondContact O-N 3.07Å; R1163-E1165 VanDerWaalsContact O-N 3.08Å
1164S52.8Low49.1Very low68 Ų6892.8 Ų92.848%0.47651%0.513SS..  trans-64.9101.7174.8-37.10000108.7V1166S1164-V1166 PolarHBondContact O-N 2.8Å
1165E62.7Low51Low100 Ų10092.2 Ų92.247%0.46751%0.514SS..  trans-66.2126.1173.5-62.9-176.6177.500109.7R780 L1139 R1163R780-E1165 PolarHBondContact NH1-O 3.38Å; L1139-E1165 HydrophobicContact CD2-CG 3.85Å; L1139-E1165 VanDerWaalsContact CD2-OE1 3.22Å; L1139-E1165 WeakPolarHBondContact CD2-OE1 3.19Å; R1163-E1165 PolarHBondContact O-N 3.07Å; R1163-E1165 VanDerWaalsContact O-N 3.08Å
1166V67.1Low53Low0 Ų087.4 Ų87.40%048%0.48CS..EExtended strand (participates in β ladder)trans-109.6115.7174.5-176.10000108.4F724 W773 V777 N1137 C1138 S1164 F1168F724-V1166 HydrophobicContact CE1-CG1 4.25Å; F724-V1166 HydrophobicContact CE2-CG1 4.43Å; F724-V1166 HydrophobicContact CZ-CG1 3.73Å; W773-V1166 HydrophobicContact CZ2-CG2 4.1Å; V777-V1166 HydrophobicContact CG2-CG2 3.91Å; N1137-V1166 WeakPolarHBondContact CA-O 3.27Å; C1138-V1166 PolarHBondContact N-O 3.07Å; C1138-V1166 PolarHBondContact O-N 2.8Å; S1164-V1166 PolarHBondContact O-N 2.8Å; V1166-F1168 HydrophobicContact CB-CE2 4.31Å; V1166-F1168 HydrophobicContact CG1-CD2 4.38Å; V1166-F1168 HydrophobicContact CG1-CE1 4.41Å; V1166-F1168 HydrophobicContact CG1-CE2 3.68Å; V1166-F1168 HydrophobicContact CG1-CZ 3.68Å
1167N70.3Confident54.9Low51 Ų5182 Ų8227%0.27345%0.452SS..EExtended strand (participates in β ladder)trans-101.2117.5-176.1-60.4-6.4000109.6N1137N1137-N1167 VanDerWaalsContact CB-OD1 3.26Å; N1137-N1167 WeakPolarHBondContact CB-OD1 3.45Å; N1137-N1167 PolarHBondContact ND2-OD1 3.24Å; N1137-N1167 WeakPolarHBondContact OD1-CB 3.39Å; N1137-N1167 PolarHBondContact OD1-OD1 3.02Å
1168F73.1Confident56.7Low0 Ų074.5 Ų74.50%042%0.421CS..EExtended strand (participates in β ladder)trans-99.5135.7171.4-61.4-84.4000109.8F724 Y795 M797 L800 F801 F1135 I1136 C1138 V1166F724-F1168 HydrophobicContact CD1-CZ 4.23Å; F724-F1168 HydrophobicContact CD2-CE1 4.22Å; F724-F1168 HydrophobicContact CD2-CZ 4.44Å; F724-F1168 HydrophobicContact CE1-CZ 4.23Å; F724-F1168 HydrophobicContact CE2-CE1 4.36Å; F724-F1168 HydrophobicContact CE2-CZ 4.41Å; F724-F1168 HydrophobicContact CG-CE1 4.42Å; F724-F1168 HydrophobicContact CG-CZ 4.36Å; F724-F1168 HydrophobicContact CZ-CZ 4.33Å; Y795-F1168 CarbonylContact O-C 3.54Å; Y795-F1168 VanDerWaalsContact O-CA 3.31Å; Y795-F1168 WeakPolarHBondContact O-CA 3.38Å; M797-F1168 HydrophobicContact CG-CB 3.84Å; L800-F1168 HydrophobicContact CD1-CE1 4.1Å; L800-F1168 HydrophobicContact CD1-CE2 4.04Å; L800-F1168 HydrophobicContact CD1-CZ 3.53Å; F801-F1168 HydrophobicContact CD2-CD2 4.29Å; F801-F1168 HydrophobicContact CD2-CG 4.37Å; F801-F1168 AromaticContact CE2-CD2 3.82Å; F801-F1168 HydrophobicContact CE2-CD2 3.82Å; F801-F1168 HydrophobicContact CE2-CE2 4.09Å; F801-F1168 HydrophobicContact CE2-CG 4.35Å; F1135-F1168 CarbonylContact C-O 3.09Å; F1135-F1168 WeakPolarHBondContact CA-O 3.46Å; I1136-F1168 HydrophobicContact CB-CB 4.4Å; I1136-F1168 PolarHBondContact N-O 3.12Å; I1136-F1168 PolarHBondContact O-N 3.34Å; C1138-F1168 HydrophobicContact CB-CE2 4.47Å; V1166-F1168 HydrophobicContact CB-CE2 4.31Å; V1166-F1168 HydrophobicContact CG1-CD2 4.38Å; V1166-F1168 HydrophobicContact CG1-CE1 4.41Å; V1166-F1168 HydrophobicContact CG1-CE2 3.68Å; V1166-F1168 HydrophobicContact CG1-CZ 3.68Å
1169V70.2Confident58.4Low14 Ų1474.4 Ų74.49%0.08542%0.423CS..EExtended strand (participates in β ladder)trans-130.1142.4-178.7-179.60000110.4P794 Y795 Q796 M797 I1134 F1135P794-V1169 HydrophobicContact CB-CB 4.3Å; P794-V1169 HydrophobicContact CB-CG2 3.7Å; P794-V1169 HydrophobicContact CG-CB 3.77Å; P794-V1169 HydrophobicContact CG-CG1 4.46Å; P794-V1169 HydrophobicContact CG-CG2 3.26Å; Y795-V1169 PolarHBondContact O-N 2.78Å; Q796-V1169 CarbonylContact C-O 3.6Å; Q796-V1169 VanDerWaalsContact CA-O 3.27Å; Q796-V1169 WeakPolarHBondContact CA-O 3.34Å; M797-V1169 PolarHBondContact N-O 2.84Å; M797-V1169 VanDerWaalsContact N-O 3.12Å; I1134-V1169 WeakPolarHBondContact O-CA 3.45Å; F1135-V1169 HydrophobicContact CB-CG2 4.42Å; F1135-V1169 HydrophobicContact CD1-CB 4.25Å; F1135-V1169 HydrophobicContact CD1-CG1 4.05Å; F1135-V1169 HydrophobicContact CD1-CG2 3.18Å; F1135-V1169 HydrophobicContact CE1-CB 4.36Å; F1135-V1169 HydrophobicContact CE1-CG1 3.79Å; F1135-V1169 HydrophobicContact CE1-CG2 3.55Å; F1135-V1169 HydrophobicContact CG-CG2 4.01Å; F1135-V1169 HydrophobicContact CZ-CG1 4.16Å
1170S73.2Confident59.9Low37 Ų3771 Ų7126%0.25940%0.399SS..EExtended strand (participates in β ladder)trans-141136.7172.4-171.50000109.9M797 Q1133 I1134M797-S1170 WeakPolarHBondContact SD-CB 3.44Å; Q1133-S1170 WeakPolarHBondContact CA-O 3.47Å; I1134-S1170 WeakPolarHBondContact CG2-O 3.27Å; I1134-S1170 PolarHBondContact N-O 3.43Å; I1134-S1170 PolarHBondContact O-N 3.09Å
1171D71Confident61.1Low110 Ų11064.3 Ų64.359%0.58836%0.362SS*.EExtended strand (participates in β ladder)trans-65.2144161.6-63.1-33.5000109Q1133Q1133-D1171 WeakPolarHBondContact CG-OD1 3.48Å; Q1133-D1171 PolarHBondContact NE2-OD1 3.48Å
1172I71.1Confident62Low20 Ų2063.7 Ų63.710%0.10335%0.348CS..  trans-91.7109.7176.4-62.9170.1000107.8L803 I806 I837 P1131 E1132 I1134 F1177L803-I1172 HydrophobicContact CD2-CB 4.48Å; L803-I1172 HydrophobicContact CD2-CG1 3.95Å; L803-I1172 HydrophobicContact CD2-CG2 4.28Å; I806-I1172 HydrophobicContact CD1-CB 4.39Å; I806-I1172 HydrophobicContact CD1-CD1 3.75Å; I806-I1172 HydrophobicContact CD1-CG1 4.14Å; I806-I1172 HydrophobicContact CD1-CG2 3.39Å; I806-I1172 HydrophobicContact CG1-CG2 4.43Å; I837-I1172 HydrophobicContact CG2-CD1 4.4Å; P1131-I1172 HydrophobicContact CB-CD1 3.78Å; P1131-I1172 HydrophobicContact CG-CD1 4.43Å; E1132-I1172 WeakPolarHBondContact O-CB 3.38Å; E1132-I1172 PolarHBondContact O-N 3.13Å; I1134-I1172 HydrophobicContact CG2-CG1 4.31Å; I1172-F1177 HydrophobicContact CG2-CD2 4.5Å; I1172-F1177 HydrophobicContact CG2-CE2 3.67Å; I1172-F1177 HydrophobicContact CG2-CZ 3.71Å
1173D67.5Low62.9Low96 Ų9663.1 Ų63.151%0.51334%0.337SS..  trans-75.4152.3177.9-154.1-16.3000111.7D1175 V1176D1173-D1175 PolarHBondContact O-N 3.48Å; D1173-D1175 VanDerWaalsContact O-N 3.15Å; D1173-V1176 HydrophobicContact CB-CG2 4.18Å; D1173-V1176 PolarHBondContact O-N 2.95Å; D1173-V1176 VanDerWaalsContact O-N 3.13Å
1174S62.5Low63.1Low75 Ų7559.4 Ų59.452%0.52433%0.332SS..G310 helixtrans-58.7-28.7179.353.60000112.7V1176 F1177S1174-V1176 PolarHBondContact O-N 3.04Å; S1174-F1177 WeakPolarHBondContact O-CD2 3.5Å; S1174-F1177 PolarHBondContact O-N 3.47Å
1175D65.9Low62.9Low135 Ų13559.2 Ų59.272%0.72233%0.334SS*.G310 helixtrans-72.5-16.1-176.6-65.1-3.9000113D1173D1173-D1175 PolarHBondContact O-N 3.48Å; D1173-D1175 VanDerWaalsContact O-N 3.15Å
1176V67.1Low62.1Low22 Ų2256.2 Ų56.213%0.13332%0.321CS..G310 helixtrans-85.3-17.8-178.8-164.40000111.4L803 S805 I806 D1173 S1174 G1178L803-V1176 HydrophobicContact CB-CG1 4.33Å; L803-V1176 HydrophobicContact CD2-CB 4.42Å; L803-V1176 HydrophobicContact CD2-CG1 3.8Å; L803-V1176 HydrophobicContact CD2-CG2 4.49Å; L803-V1176 HydrophobicContact CG-CG1 3.73Å; S805-V1176 CarbonylContact C-O 3.49Å; S805-V1176 WeakPolarHBondContact CA-O 3.32Å; I806-V1176 HydrophobicContact CG1-CG1 4.11Å; I806-V1176 PolarHBondContact N-O 2.87Å; D1173-V1176 HydrophobicContact CB-CG2 4.18Å; D1173-V1176 PolarHBondContact O-N 2.95Å; D1173-V1176 VanDerWaalsContact O-N 3.13Å; S1174-V1176 PolarHBondContact O-N 3.04Å; V1176-G1178 PolarHBondContact O-N 3.04Å
1177F64.4Low61.3Low54 Ų5456.5 Ų56.524%0.23732%0.322CS..BIsolated β-bridgetrans-69.4124.9178.4-68.1-87.8000110.9I806 P1131 I1172 S1174 W1181I806-F1177 HydrophobicContact CB-CD1 4.3Å; I806-F1177 HydrophobicContact CG2-CD1 4.4Å; I806-F1177 HydrophobicContact CG2-CE1 4.46Å; P1131-F1177 HydrophobicContact CG-CE1 3.7Å; P1131-F1177 HydrophobicContact CG-CZ 4.01Å; I1172-F1177 HydrophobicContact CG2-CD2 4.5Å; I1172-F1177 HydrophobicContact CG2-CE2 3.67Å; I1172-F1177 HydrophobicContact CG2-CZ 3.71Å; S1174-F1177 WeakPolarHBondContact O-CD2 3.5Å; S1174-F1177 PolarHBondContact O-N 3.47Å; F1177-W1181 HydrophobicContact CB-CG 4.42Å; F1177-W1181 AromaticContact CD1-CD2 3.99Å; F1177-W1181 HydrophobicContact CD1-CD2 3.99Å; F1177-W1181 AromaticContact CD1-CE2 3.67Å; F1177-W1181 HydrophobicContact CD1-CG 4.26Å; F1177-W1181 HydrophobicContact CD1-CZ2 4.04Å; F1177-W1181 AromaticContact CD1-NE1 3.71Å; F1177-W1181 HydrophobicContact CE1-CH2 4.33Å; F1177-W1181 HydrophobicContact CE1-CZ2 4.03Å
1178G61.2Low60.3Low16 Ų1660.9 Ų60.917%0.16534%0.339CS..  trans-68.5163.7179.600000112.6I806 V1176 S1180 W1181I806-G1178 PolarHBondContact O-N 3.11Å; V1176-G1178 PolarHBondContact O-N 3.04Å; G1178-S1180 PolarHBondContact O-N 3.29Å; G1178-W1181 PolarHBondContact O-N 3.38Å
1179S61.4Low59Low100 Ų10063.6 Ų63.670%0.69936%0.362SS*.G310 helixtrans-59.4-18.2-179.656.30000114.3W1181 R1182S1179-W1181 PolarHBondContact O-N 3.02Å; S1179-R1182 WeakPolarHBondContact O-CA 2.88Å; S1179-R1182 WeakPolarHBondContact O-CB 3.42Å; S1179-R1182 PolarHBondContact O-N 2.92Å
1180S55.8Low57.8Low33 Ų3365.1 Ų65.123%0.23137%0.369CS..G310 helixtrans-63.4-24177.766.50000113.4L808 G1178 R1182 D1183L808-S1180 PolarHBondContact N-OG 3.34Å; L808-S1180 WeakPolarHBondContact O-CB 3.2Å; L808-S1180 PolarHBondContact O-OG 2.82Å; G1178-S1180 PolarHBondContact O-N 3.29Å; S1180-R1182 PolarHBondContact O-N 3.44Å; S1180-D1183 PolarHBondContact O-N 3.09Å
1181W56.6Low56.5Low14 Ų1466.5 Ų66.55%0.05337%0.373CS..G310 helixtrans-70.3-12.6171.9-6982000113.1I806 L808 L850 F1128 F1177 G1178 S1179I806-W1181 PolarHBondContact O-NE1 3.21Å; L808-W1181 HydrophobicContact CB-CD2 4.31Å; L808-W1181 HydrophobicContact CB-CZ2 4.15Å; L808-W1181 HydrophobicContact CD1-CD2 4.37Å; L808-W1181 HydrophobicContact CD1-CE3 4.46Å; L808-W1181 HydrophobicContact CD1-CH2 3.61Å; L808-W1181 HydrophobicContact CD1-CZ2 3.46Å; L808-W1181 VanDerWaalsContact CD1-CZ2 3.46Å; L808-W1181 HydrophobicContact CD1-CZ3 4.14Å; L808-W1181 HydrophobicContact CG-CZ2 4.45Å; L850-W1181 HydrophobicContact CD2-CE3 4.28Å; F1128-W1181 AromaticContact CE1-CZ3 3.79Å; F1128-W1181 HydrophobicContact CE1-CZ3 3.79Å; F1128-W1181 HydrophobicContact CE2-CE3 4.26Å; F1128-W1181 HydrophobicContact CE2-CH2 4.37Å; F1128-W1181 AromaticContact CE2-CZ3 3.78Å; F1128-W1181 HydrophobicContact CE2-CZ3 3.78Å; F1128-W1181 AromaticContact CZ-CE3 3.65Å; F1128-W1181 HydrophobicContact CZ-CE3 3.65Å; F1128-W1181 HydrophobicContact CZ-CH2 4.06Å; F1128-W1181 AromaticContact CZ-CZ3 3.14Å; F1128-W1181 HydrophobicContact CZ-CZ3 3.14Å; F1177-W1181 HydrophobicContact CB-CG 4.42Å; F1177-W1181 AromaticContact CD1-CD2 3.99Å; F1177-W1181 HydrophobicContact CD1-CD2 3.99Å; F1177-W1181 AromaticContact CD1-CE2 3.67Å; F1177-W1181 HydrophobicContact CD1-CG 4.26Å; F1177-W1181 HydrophobicContact CD1-CZ2 4.04Å; F1177-W1181 AromaticContact CD1-NE1 3.71Å; F1177-W1181 HydrophobicContact CE1-CH2 4.33Å; F1177-W1181 HydrophobicContact CE1-CZ2 4.03Å; G1178-W1181 PolarHBondContact O-N 3.38Å; S1179-W1181 PolarHBondContact O-N 3.02Å
1182R48.8Very low54.8Low150 Ų15065.3 Ų65.357%0.56637%0.371SS*.G310 helixtrans-95.3-1.8175.7-57.3-175.2179.4178.40.5113.7S1179 S1180 T1184S1179-R1182 WeakPolarHBondContact O-CA 2.88Å; S1179-R1182 WeakPolarHBondContact O-CB 3.42Å; S1179-R1182 PolarHBondContact O-N 2.92Å; S1180-R1182 PolarHBondContact O-N 3.44Å; R1182-T1184 PolarHBondContact O-N 3.19Å
1183D51.1Low53.1Low77 Ų7771.6 Ų71.641%0.41240%0.398SS..  trans-69.294179.1-173.9-15.3000110.2S1180 A1185 M1186 M1187S1180-D1183 PolarHBondContact O-N 3.09Å; D1183-A1185 PolarHBondContact O-N 3.02Å; D1183-A1185 WeakPolarHBondContact OD1-CA 3.15Å; D1183-A1185 WeakPolarHBondContact OD1-CB 3.45Å; D1183-A1185 PolarHBondContact OD1-N 2.62Å; D1183-M1186 HydrophobicContact CB-CB 3.91Å; D1183-M1186 PolarHBondContact O-N 2.84Å; D1183-M1186 PolarHBondContact OD1-N 3.2Å; D1183-M1186 VanDerWaalsContact OD1-N 3.11Å; D1183-M1187 WeakPolarHBondContact O-CG 3.39Å; D1183-M1187 PolarHBondContact O-N 3.4Å
1184T51Low51.6Low75 Ų7571.4 Ų71.446%0.4640%0.402SS..Hα-helixtrans-60.4-28.1179.557.40000113R1182 K1188R1182-T1184 PolarHBondContact O-N 3.19Å; T1184-K1188 WeakPolarHBondContact O-CB 3.48Å; T1184-K1188 WeakPolarHBondContact O-CG 3.38Å; T1184-K1188 PolarHBondContact O-N 3.07Å
1185A48.2Very low50.3Low64 Ų6473.8 Ų73.853%0.52941%0.405SS..Hα-helixtrans-72.4-44177.700000110.1D1183 K1188 A1189D1183-A1185 PolarHBondContact O-N 3.02Å; D1183-A1185 WeakPolarHBondContact OD1-CA 3.15Å; D1183-A1185 WeakPolarHBondContact OD1-CB 3.45Å; D1183-A1185 PolarHBondContact OD1-N 2.62Å; A1185-K1188 PolarHBondContact O-N 3.42Å; A1185-A1189 WeakPolarHBondContact O-CB 3.25Å; A1185-A1189 PolarHBondContact O-N 2.8Å
1186M46.9Very low48.7Very low38 Ų3871.4 Ų71.419%0.18739%0.391CS..Hα-helixtrans-62.2-47.9172.9-166.4174.772.600111L808 D1183 K1188 A1189 L1190L808-M1186 HydrophobicContact CB-CE 4.43Å; L808-M1186 HydrophobicContact CD2-CE 3.2Å; L808-M1186 HydrophobicContact CD2-SD 4.2Å; L808-M1186 HydrophobicContact CG-CE 4.38Å; D1183-M1186 HydrophobicContact CB-CB 3.91Å; D1183-M1186 PolarHBondContact O-N 2.84Å; D1183-M1186 PolarHBondContact OD1-N 3.2Å; D1183-M1186 VanDerWaalsContact OD1-N 3.11Å; M1186-K1188 PolarHBondContact O-N 3.48Å; M1186-A1189 WeakPolarHBondContact O-CB 3.36Å; M1186-A1189 PolarHBondContact O-N 2.67Å; M1186-A1189 VanDerWaalsContact O-N 3.14Å; M1186-L1190 HydrophobicContact CG-CD1 4.31Å; M1186-L1190 VanDerWaalsContact O-CG 3.25Å; M1186-L1190 WeakPolarHBondContact O-CG 3.5Å; M1186-L1190 PolarHBondContact O-N 3.26Å
1187M50.6Low47.1Very low6 Ų674.1 Ų74.13%0.0341%0.411CS..Hα-helixtrans-61-41.3177.2-69.4-67.6-81.200112.2W847 L850 F1128 D1183 L1190 L1191W847-M1187 HydrophobicContact CE3-CE 4.12Å; W847-M1187 HydrophobicContact CZ3-CE 3.54Å; L850-M1187 HydrophobicContact CB-CE 4.05Å; L850-M1187 HydrophobicContact CD1-CE 4.18Å; F1128-M1187 HydrophobicContact CE2-SD 4.25Å; F1128-M1187 HydrophobicContact CZ-CE 4.33Å; F1128-M1187 HydrophobicContact CZ-SD 4.34Å; D1183-M1187 WeakPolarHBondContact O-CG 3.39Å; D1183-M1187 PolarHBondContact O-N 3.4Å; M1187-L1190 PolarHBondContact O-N 2.97Å; M1187-L1191 WeakPolarHBondContact O-CG 3.39Å; M1187-L1191 PolarHBondContact O-N 3.38Å; M1187-L1191 VanDerWaalsContact O-N 3.13Å
1188K48.8Very low45.7Very low142 Ų14276.2 Ų76.262%0.61743%0.428SS*.Hα-helixtrans-66.8-33.5174.5-79.4174.5179.5176.40113.1T1184 A1185 M1186 L1190T1184-K1188 WeakPolarHBondContact O-CB 3.48Å; T1184-K1188 WeakPolarHBondContact O-CG 3.38Å; T1184-K1188 PolarHBondContact O-N 3.07Å; A1185-K1188 PolarHBondContact O-N 3.42Å; M1186-K1188 PolarHBondContact O-N 3.48Å; K1188-L1190 VanDerWaalsContact C-N 3.33Å
1189A46.6Very low44.5Very low58 Ų5882.6 Ų82.648%0.47946%0.458SS..Hα-helixtrans-70.5-32.8175.700000111.8A1185 M1186 L1226A1185-A1189 WeakPolarHBondContact O-CB 3.25Å; A1185-A1189 PolarHBondContact O-N 2.8Å; M1186-A1189 WeakPolarHBondContact O-CB 3.36Å; M1186-A1189 PolarHBondContact O-N 2.67Å; M1186-A1189 VanDerWaalsContact O-N 3.14Å; A1189-L1226 VanDerWaalsContact O-CD2 3.23Å; A1189-L1226 WeakPolarHBondContact O-CD2 3.48Å
1190L43.7Very low43.3Very low46 Ų4684.3 Ų84.324%0.24146%0.459CS..Hα-helixtrans-75.1-23.8176.5-66.4174000113.4V811 M1186 M1187 K1188 L1226V811-L1190 HydrophobicContact CB-CD2 3.97Å; V811-L1190 HydrophobicContact CG2-CD1 4.47Å; V811-L1190 HydrophobicContact CG2-CD2 3.3Å; M1186-L1190 HydrophobicContact CG-CD1 4.31Å; M1186-L1190 VanDerWaalsContact O-CG 3.25Å; M1186-L1190 WeakPolarHBondContact O-CG 3.5Å; M1186-L1190 PolarHBondContact O-N 3.26Å; M1187-L1190 PolarHBondContact O-N 2.97Å; K1188-L1190 VanDerWaalsContact C-N 3.33Å; L1190-L1226 HydrophobicContact CD2-CD2 4.07Å
1191L45.5Very low42.6Very low65 Ų6590.9 Ų90.934%0.3449%0.491SS..SBendtrans-71.3127.8176-73168.8000110.5W847 L851 M1187 K1193W847-L1191 HydrophobicContact CZ3-CD2 4.48Å; L851-L1191 HydrophobicContact CD2-CD1 4.46Å; M1187-L1191 WeakPolarHBondContact O-CG 3.39Å; M1187-L1191 PolarHBondContact O-N 3.38Å; M1187-L1191 VanDerWaalsContact O-N 3.13Å; L1191-K1193 PolarHBondContact O-N 2.94Å; L1191-K1193 VanDerWaalsContact O-N 3.13Å
1192P36.1Very low41.7Very low86 Ų8695.1 Ų95.156%0.55852%0.523SS*.  trans-60.8119.6176.523.3-31.3000109.6P1194 L1223P1192-P1194 WeakPolarHBondContact O-CD 3.32Å; P1192-L1223 HydrophobicContact CB-CD2 3.49Å; P1192-L1223 VanDerWaalsContact CB-CD2 3.49Å
1193K36.3Very low41.1Very low152 Ų15291.2 Ų91.266%0.66153%0.529SS*.  trans-71.8114.9175-73.8-177.8-179174.20109.4L1191 E1195L1191-K1193 PolarHBondContact O-N 2.94Å; L1191-K1193 VanDerWaalsContact O-N 3.13Å; K1193-E1195 PolarHBondContact O-N 3.27Å
1194P35.4Very low40.4Very low92 Ų9296.1 Ų96.160%0.59756%0.556SS**EExtended strand (participates in β ladder)trans-77.3105.8176.729.4-29.8000110P1192 L1221P1192-P1194 WeakPolarHBondContact O-CD 3.32Å; P1194-L1221 HydrophobicContact CB-CD2 3.31Å; P1194-L1221 HydrophobicContact CB-CG 4.46Å
1195E34.1Very low39.4Very low124 Ų124100.3 Ų100.358%0.57957%0.567SS**EExtended strand (participates in β ladder)trans-89.8125.8169.1-69.6-176.5176.200110.4K1193 R1220K1193-E1195 PolarHBondContact O-N 3.27Å; E1195-R1220 VanDerWaalsContact O-O 3.12Å
1196I33.9Very low38.5Very low86 Ų86108.9 Ų108.944%0.44159%0.586SS.*EExtended strand (participates in β ladder)trans-99.9102.7176.3-50.3-171.6000108.4V1198 V1219I1196-V1198 HydrophobicContact CG2-CG2 3.69Å; I1196-V1198 PolarHBondContact O-N 2.66Å; I1196-V1219 HydrophobicContact CB-CG1 4.13Å; I1196-V1219 HydrophobicContact CD1-CG1 3.79Å; I1196-V1219 HydrophobicContact CD1-CG2 4.04Å; I1196-V1219 HydrophobicContact CG1-CG1 3.53Å; I1196-V1219 HydrophobicContact CG2-CG1 3.94Å; I1196-V1219 HydrophobicContact CG2-CG2 4.23Å
1197S32.6Very low37.8Very low78 Ų78115.5 Ų115.555%0.54561%0.61SS.*  trans-85.396.8167.5630000109.4L1199S1197-L1199 PolarHBondContact O-N 3.46Å
1198V36.2Very low36.7Very low99 Ų99121.3 Ų121.360%0.665%0.648SS**  trans-81.6110.6170-1740000107.8I1196 N1200I1196-V1198 HydrophobicContact CG2-CG2 3.69Å; I1196-V1198 PolarHBondContact O-N 2.66Å; V1198-N1200 PolarHBondContact O-N 2.79Å
1199L35.5Very low35.7Very low150 Ų150118.9 Ų118.979%0.78565%0.645SS**  trans-66.694.5169.1-97.195.9000108.5S1197S1197-L1199 PolarHBondContact O-N 3.46Å
1200N35.5Very low34.9Very low136 Ų136122.4 Ų122.473%0.72766%0.661SS**  trans-130.5122.5156.6-98.7-16.3000108.2V1198 S1202V1198-N1200 PolarHBondContact O-N 2.79Å; N1200-S1202 PolarHBondContact O-N 2.83Å
1201N40.8Very low34.2Very low170 Ų170129.9 Ų129.991%0.90969%0.692SS**SBendtrans-69.131.3-165.8-90.8-9.2000115.9
1202S37.5Very low33.3Very low104 Ų104130 Ų13073%0.72771%0.709SS**SBendtrans-151.297.2174.960.70000111.8N1200N1200-S1202 PolarHBondContact O-N 2.83Å
1203G37.4Very low33Very low67 Ų67131 Ų13169%0.69171%0.713SS**  trans76.7116.3164.100000115.3K1205G1203-K1205 VanDerWaalsContact C-N 3.27Å; G1203-K1205 PolarHBondContact O-N 3.45Å
1204D35.6Very low32.7Very low180 Ų180130.3 Ų130.396%0.96373%0.726SS**  trans-54.479.7172.1-88.7-32.6000112.5
1205K31.3Very low32.3Very low163 Ų163133.5 Ų133.571%0.70973%0.733SS**  trans-101.7119.2165.2-75-169.4178-177.40109.5G1203 Y1207G1203-K1205 VanDerWaalsContact C-N 3.27Å; G1203-K1205 PolarHBondContact O-N 3.45Å; K1205-Y1207 HydrophobicContact CB-CE2 4.06Å; K1205-Y1207 VanDerWaalsContact O-CD2 3.3Å; K1205-Y1207 WeakPolarHBondContact O-CD2 3.41Å; K1205-Y1207 VanDerWaalsContact O-CE2 3.32Å; K1205-Y1207 WeakPolarHBondContact O-CE2 3.45Å
1206R29.1Very low32.2Very low244 Ų244133.8 Ų133.892%0.92175%0.746SS**  trans-76.8126.2173.7-62176.7178.9178.9-1.7108.4
1207Y31.9Very low32.2Very low177 Ų177135.4 Ų135.469%0.69475%0.754SS**  trans-110.7122.1176.4-64.6-81.6000110.3K1205 V1209K1205-Y1207 HydrophobicContact CB-CE2 4.06Å; K1205-Y1207 VanDerWaalsContact O-CD2 3.3Å; K1205-Y1207 WeakPolarHBondContact O-CD2 3.41Å; K1205-Y1207 VanDerWaalsContact O-CE2 3.32Å; K1205-Y1207 WeakPolarHBondContact O-CE2 3.45Å; Y1207-V1209 PolarHBondContact O-N 2.96Å
1208P26.5Very low32Very low128 Ų128137.8 Ų137.883%0.83177%0.768SS**PPolyproline II helixtrans-71.4116.2161.928.1-28.3000108.2
1209V28.3Very low31.9Very low91 Ų91136.1 Ų136.155%0.55276%0.758SS**PPolyproline II helixtrans-98119.3178.6-177.10000109Y1207Y1207-V1209 PolarHBondContact O-N 2.96Å
1210V30.6Very low31.5Very low132 Ų132139.1 Ų139.180%0.876%0.759SS**PPolyproline II helixtrans-81122166178.70000107.6G1212V1210-G1212 PolarHBondContact O-N 2.8Å
1211F28.1Very low31.1Very low204 Ų204138 Ų13890%0.89575%0.752SS**SBendtrans-63.7105.1-179.5-73.1-85.7000110.6
1212G27.1Very low30.3Very low68 Ų68139.2 Ų139.270%0.70174%0.744SS**  trans-179.420.617900000116.9V1210V1210-G1212 PolarHBondContact O-N 2.8Å
1213T28.3Very low29.8Very low105 Ų105141.3 Ų141.364%0.64475%0.746SS**  trans-104.3131.1179.656.60000111.9Q1215T1213-Q1215 PolarHBondContact O-N 2.76Å
1214C30.3Very low29.3Very low139 Ų139140.3 Ų140.394%0.93974%0.736SS**SBendtrans-77.123.4-175.2-66.90000114.6
1215Q28Very low29Very low158 Ų158141.9 Ų141.974%0.73873%0.734SS**SBendtrans-133.6132.6173.9-78.1-171.2-17.500111.5T1213 I1217T1213-Q1215 PolarHBondContact O-N 2.76Å; Q1215-I1217 PolarHBondContact O-N 3.47Å
1216P30.9Very low28.9Very low131 Ų131139.9 Ų139.985%0.85173%0.731SS**  trans-70.7114.2-176.227.3-32.5000110.6
1217I35.1Very low28.8Very low119 Ų119131.6 Ų131.661%0.6172%0.721SS**  trans-97.6121.8170-58.3173.6000107.4Q1215 V1219Q1215-I1217 PolarHBondContact O-N 3.47Å; I1217-V1219 PolarHBondContact O-N 2.88Å
1218P28.7Very low28.6Very low129 Ų129131 Ų13184%0.83873%0.728SS**  trans-70.4112.4177.526.4-30.9000110.2
1219V33Very low28.7Very low64 Ų64129.9 Ų129.939%0.38872%0.721SS.*  trans-102.3127.3178.8174.90000109.1I1196 I1217 L1221I1196-V1219 HydrophobicContact CB-CG1 4.13Å; I1196-V1219 HydrophobicContact CD1-CG1 3.79Å; I1196-V1219 HydrophobicContact CD1-CG2 4.04Å; I1196-V1219 HydrophobicContact CG1-CG1 3.53Å; I1196-V1219 HydrophobicContact CG2-CG1 3.94Å; I1196-V1219 HydrophobicContact CG2-CG2 4.23Å; I1217-V1219 PolarHBondContact O-N 2.88Å; V1219-L1221 HydrophobicContact CG1-CD2 3.66Å; V1219-L1221 HydrophobicContact CG1-CG 4.25Å
1220R27Very low28.9Very low213 Ų213135 Ų13580%0.80474%0.739SS**  trans-103.8105.7174.1-147.1178.6-164.5173.35109.4E1195E1195-R1220 VanDerWaalsContact O-O 3.12Å
1221L27.6Very low28.8Very low112 Ų112135.7 Ų135.759%0.58674%0.738SS**EExtended strand (participates in β ladder)trans-79.7124.4-179.2-59.1177.9000110.4P1194 V1219P1194-L1221 HydrophobicContact CB-CD2 3.31Å; P1194-L1221 HydrophobicContact CB-CG 4.46Å; V1219-L1221 HydrophobicContact CG1-CD2 3.66Å; V1219-L1221 HydrophobicContact CG1-CG 4.25Å
1222R25.2Very low28.8Very low195 Ų195131.2 Ų131.274%0.73673%0.731SS**EExtended strand (participates in β ladder)trans-101.5126.7165.4-80.9-173.4173.1175.7-0.5109.8G1224R1222-G1224 PolarHBondContact O-N 2.77Å
1223L27Very low28.8Very low148 Ų148136.8 Ų136.878%0.77574%0.736SS**EExtended strand (participates in β ladder)trans-69107.4173.6-72.2161.8000109.2P1192P1192-L1223 HydrophobicContact CB-CD2 3.49Å; P1192-L1223 VanDerWaalsContact CB-CD2 3.49Å
1224G26.7Very low29Very low46 Ų46137.7 Ų137.747%0.47474%0.736SS.*  trans-63.8137.7171.700000111.2R1222 L1226R1222-G1224 PolarHBondContact O-N 2.77Å; G1224-L1226 PolarHBondContact O-N 2.76Å
1225K28.5Very low29.1Very low214 Ų214134.9 Ų134.993%0.9372%0.719SS**  trans-65.2127.5173.5-77.7-177.3174.9-178.50109.6G1227K1225-G1227 PolarHBondContact O-N 2.87Å
1226L29.3Very low29.5Very low121 Ų121129.7 Ų129.763%0.63470%0.698SS**  trans-59.4100.9174.9-74.7124.7000110.5A1189 L1190 G1224A1189-L1226 VanDerWaalsContact O-CD2 3.23Å; A1189-L1226 WeakPolarHBondContact O-CD2 3.48Å; L1190-L1226 HydrophobicContact CD2-CD2 4.07Å; G1224-L1226 PolarHBondContact O-N 2.76Å
1227G27.4Very low29.7Very low69 Ų69125.2 Ų125.271%0.71167%0.669SS**  trans-125.1132.3173.200000110.4K1225K1225-G1227 PolarHBondContact O-N 2.87Å
1228L27.4Very low29.8Very low164 Ų164122.4 Ų122.486%0.85966%0.655SS**  trans-68.7150.2176-74.3157.9000110.9
1229P28.9Very low30.4Very low105 Ų105118.9 Ų118.968%0.68263%0.626SS**  trans-71.8140.1-174.4-9.725.7000112.7D1231P1229-D1231 VanDerWaalsContact C-N 3.33Å; P1229-D1231 PolarHBondContact O-N 2.83Å
1230E31Very low30.7Very low198 Ų198119.3 Ų119.393%0.92562%0.621SS**SBendtrans-73-10.1-175.5-70.3-175.2160.900115.3
1231D29.4Very low31.4Very low147 Ų147110.7 Ų110.779%0.78659%0.59SS**  trans-103.532.8-169.6-80.7-37.2000116.1P1229 K1233P1229-D1231 VanDerWaalsContact C-N 3.33Å; P1229-D1231 PolarHBondContact O-N 2.83Å; D1231-K1233 VanDerWaalsContact C-N 3.35Å; D1231-K1233 PolarHBondContact O-N 2.9Å
1232C27.5Very low32Very low111 Ų111107.3 Ų107.375%0.7558%0.575SS**  trans-79.475.6172.9-870000112.3L1234C1232-L1234 PolarHBondContact O-N 2.77Å
1233K28.5Very low32.7Very low184 Ų184100.9 Ų100.980%0.856%0.56SS**  trans-78.1103.4166.1-75.1179.4-177.6166.80110.3D1231 S1235D1231-K1233 VanDerWaalsContact C-N 3.35Å; D1231-K1233 PolarHBondContact O-N 2.9Å; K1233-S1235 PolarHBondContact O-N 2.73Å; K1233-S1235 VanDerWaalsContact O-N 3.09Å
1234L32.2Very low32.8Very low124 Ų12498.9 Ų98.965%0.64955%0.55SS**  trans-74.988.4176-70.9160.1000110.8C1232 T1236 P1392C1232-L1234 PolarHBondContact O-N 2.77Å; L1234-T1236 PolarHBondContact O-N 2.88Å; L1234-P1392 HydrophobicContact CD2-CG 4.15Å
1235S33Very low33Very low81 Ų81104 Ų10457%0.56657%0.567SS**  trans-8584.4171.959.10000110.7K1233K1233-S1235 PolarHBondContact O-N 2.73Å; K1233-S1235 VanDerWaalsContact O-N 3.09Å
1236T35.3Very low33Very low49 Ų49103.2 Ų103.230%0.30156%0.563SS.*  trans-108.1116.3171.2470000110L1234 S1390 P1392L1234-T1236 PolarHBondContact O-N 2.88Å; T1236-S1390 WeakPolarHBondContact CA-O 3.43Å; T1236-S1390 WeakPolarHBondContact CG2-O 3.46Å; T1236-P1392 HydrophobicContact CG2-CG 4.36Å
1237S35.9Very low32.8Very low36 Ų36104.7 Ų104.725%0.25257%0.572SS.*  trans-120.1144.2177.732.20000111.2Y1239 S1390S1237-Y1239 WeakPolarHBondContact OG-CE2 3.23Å; S1237-S1390 PolarHBondContact N-OG 2.77Å; S1237-S1390 PolarHBondContact O-N 3.05Å; S1237-S1390 PolarHBondContact O-OG 3.17Å; S1237-S1390 PolarHBondContact OG-OG 3.25Å
1238L36.1Very low32.7Very low61 Ų61110.7 Ų110.732%0.31958%0.579SS.*EExtended strand (participates in β ladder)trans-100.2129.2-174.8-176.176000111L1378 L1389 L1399L1238-L1378 HydrophobicContact CD2-CD1 3.36Å; L1238-L1389 HydrophobicContact CB-CD2 4.12Å; L1238-L1389 HydrophobicContact CD1-CD2 3.62Å; L1238-L1389 HydrophobicContact CD1-CG 3.81Å; L1238-L1389 HydrophobicContact CG-CD2 4.49Å; L1238-L1399 HydrophobicContact CD1-CD1 3.69Å
1239Y42.1Very low32.6Very low54 Ų54110 Ų11021%0.21258%0.581CS.*EExtended strand (participates in β ladder)trans-122.2146.8-176.1-67.9-89.3000112.3S1237 D1337 F1387 A1388 Y1396S1237-Y1239 WeakPolarHBondContact OG-CE2 3.23Å; Y1239-D1337 WeakPolarHBondContact CE1-OD1 3.46Å; Y1239-F1387 CarbonylContact O-C 3.47Å; Y1239-F1387 WeakPolarHBondContact O-CA 3.36Å; Y1239-A1388 PolarHBondContact N-O 3.06Å; Y1239-A1388 PolarHBondContact O-N 2.96Å; Y1239-Y1396 HydrophobicContact CD2-CD1 4.24Å; Y1239-Y1396 AromaticContact CD2-CE1 3.75Å; Y1239-Y1396 HydrophobicContact CD2-CE1 3.75Å; Y1239-Y1396 AromaticContact CE2-CE1 3.89Å; Y1239-Y1396 HydrophobicContact CE2-CE1 3.89Å; Y1239-Y1396 HydrophobicContact CG-CE1 4.37Å
1240R39.5Very low32.2Very low74 Ų74114.3 Ų114.328%0.27959%0.589SS.*EExtended strand (participates in β ladder)trans-104.7130.7171.2-173.6-174.9-128.3-151.51.4109.8S1379 T1381 D1385 F1387R1240-S1379 PolarHBondContact NH2-O 3.25Å; R1240-T1381 PolarHBondContact NH1-OG1 2.87Å; R1240-T1381 VanDerWaalsContact NH2-CG2 3.34Å; R1240-T1381 PolarHBondContact NH2-OG1 3.44Å; R1240-D1385 IonicContact CZ-OD2 2.83Å; R1240-D1385 IonicContact NE-OD2 3.72Å; R1240-D1385 IonicContact NH1-OD2 3.41Å; R1240-D1385 IonicContact NH2-OD2 3.84Å; R1240-D1385 PolarHBondContact NH2-OD2 2.93Å; R1240-F1387 HydrophobicContact CB-CD1 4.08Å; R1240-F1387 HydrophobicContact CB-CE1 4.07Å; R1240-F1387 HydrophobicContact CG-CD1 4.05Å; R1240-F1387 HydrophobicContact CG-CE1 3.69Å; R1240-F1387 HydrophobicContact CG-CZ 4.36Å
1241I42Very low31.9Very low32 Ų32112.4 Ų112.416%0.16459%0.585CS.*EExtended strand (participates in β ladder)trans-108113.8-176.4-55174000108.9F1333 L1335 Q1386 A1388I1241-F1333 HydrophobicContact CG2-CD1 4.22Å; I1241-L1335 HydrophobicContact CG1-CD2 4.18Å; I1241-Q1386 HydrophobicContact CB-CB 4.34Å; I1241-Q1386 WeakPolarHBondContact CB-O 3.27Å; I1241-Q1386 PolarHBondContact N-O 3.23Å; I1241-Q1386 PolarHBondContact O-N 2.86Å; I1241-A1388 HydrophobicContact CD1-CB 3.92Å
1242C39.3Very low31.6Very low41 Ų41112 Ų11228%0.27759%0.588SS.*EExtended strand (participates in β ladder)trans-106.8127.5-178.7-65.70000111.5
1243S39.1Very low31.5Very low59 Ų59116 Ų11641%0.41359%0.593SS.*  trans-80.7118178.2166.90000112N1245S1243-N1245 PolarHBondContact O-N 3.21Å
1244N29.5Very low31.4Very low106 Ų106112.6 Ų112.657%0.56759%0.589SS**  trans-83.378.4-175.2-152.29000112.3
1245N31.1Very low31Very low155 Ų155114.4 Ų114.483%0.82959%0.594SS**  trans-122.267.6172.3-98.6-12.3000110.7S1243S1243-N1245 PolarHBondContact O-N 3.21Å
1246K27.5Very low30.5Very low197 Ų197117 Ų11786%0.85760%0.602SS**  trans-122.289.6164.1-74.6-174.5-179.3175.80109.2
1247N27Very low29.9Very low152 Ų152119.5 Ų119.581%0.81362%0.617SS**  trans-116.2138.1159.5-87.1-23.4000108.7
1248F24.2Very low29.3Very low195 Ų195125.5 Ų125.586%0.85564%0.641SS**  trans87.377.2172.8-63-83.2000118.1
1249V25.1Very low28.6Very low148 Ų148128.6 Ų128.690%0.89766%0.657SS**SBend-140.3138.6129.3-174.80000108.6
1250F21.6Very low27.6Very low197 Ų197132.9 Ų132.986%0.86468%0.683SS**  trans-52.3145.1-161.9-79.1-100.4000117.7T1252F1250-T1252 PolarHBondContact O-N 2.86Å
1251N23.3Very low26.8Very low158 Ų158135.5 Ų135.585%0.84571%0.707SS**  trans-34.8123.3163.2-83.4-25.5000114.2
1252T24.3Very low25.9Very low137 Ų137142.8 Ų142.884%0.8474%0.738SS**  trans-151.5104.8138.2410000109.9F1250F1250-T1252 PolarHBondContact O-N 2.86Å
1253K25.2Very low25.1Very low197 Ų197149.4 Ų149.486%0.85776%0.762SS**  trans-55.4146.5156.9-73.1-179173.3-1760109
1254P26.9Very low24.3Very low111 Ų111151.6 Ų151.672%0.72177%0.773SS**  -145.113775.726-2.5000114.7
1255E22.2Very low24Very low162 Ų162153.2 Ų153.276%0.75778%0.782SS**  51.8110.1108.4-66.9-178.3171.600115.8
1256N23.7Very low23.6Very low135 Ų135150.8 Ų150.872%0.72278%0.777SS**  169.8124.9108.6-91.5-30.4000114.2
1257T22.5Very low23.3Very low102 Ų102149 Ų14963%0.62677%0.773SS**  trans67.1113.7130.163.90000122
1258H22.4Very low23.1Very low162 Ų162149.8 Ų149.875%0.7577%0.77SS**  91122114-81.1-51.9000122.1
1259I21.7Very low23Very low126 Ų126145.5 Ų145.565%0.64676%0.76SS**  94.9108.7123.7-67.9166.3000117.9
1260N21.8Very low22.8Very low144 Ų144148.1 Ų148.177%0.7776%0.755SS**  35.3141.6126.5-60.8-36000119.8
1261V23.6Very low22.9Very low130 Ų130145.2 Ų145.279%0.78875%0.748SS**  169.2104.9111.3158.80000106.9
1262K21.5Very low22.9Very low185 Ų185145.2 Ų145.280%0.80475%0.748SS**  51.1118.587.5-112.6-174.9-171.61790114.7
1263K22.3Very low22.9Very low179 Ų179144.2 Ų144.278%0.77874%0.742SS**  155.8110.1120-91.8-179.3177.7179.10112.9
1264T22.6Very low22.9Very low106 Ų106142.2 Ų142.265%0.6574%0.741SS**  77.4123.786.561.90000115.1
1265N24.4Very low22.7Very low139 Ų139140.2 Ų140.274%0.74374%0.74SS**  156.6107.4125.1-78.5-16.5000109.3
1266S22.2Very low22.8Very low105 Ų105139.5 Ų139.573%0.73474%0.742SS**  81.4140.393.386.40000110.9
1267M21.1Very low22.7Very low158 Ų158140.6 Ų140.678%0.77875%0.748SS**  cis-176165.216-152.2168172.800107.7
1268K22.8Very low22.8Very low169 Ų169138.8 Ų138.874%0.73575%0.749SS**  trans97.294.5153.8-65.2173.4-176.7-178.40116.7
1269T21.7Very low22.9Very low106 Ų106138.1 Ų138.165%0.6575%0.751SS**  67.3122.481.364.60000111.9
1270Y21.7Very low23Very low203 Ų203140.6 Ų140.680%0.79676%0.76SS**  -169.9161.855.4-111.2-77.1000111.1
1271N24.2Very low23.1Very low135 Ų135140.7 Ų140.772%0.72277%0.766SS**  trans91.268.2151.5-63.9-14000120
1272N22.5Very low23Very low158 Ų158141.6 Ų141.685%0.84576%0.764SS**  trans-67.4133.2134.5-115.3-7.7000109.7
1273T24.4Very low23.1Very low117 Ų117142.3 Ų142.372%0.71877%0.767SS**  trans-151.6109.6144.622.80000109.7
1274N24Very low23.1Very low154 Ų154139.3 Ų139.382%0.82476%0.759SS**  trans63.5111.8132.5-56.6-9.2000119
1275G23.1Very low23.1Very low69 Ų69139.8 Ų139.871%0.71176%0.758SS**  125.813584.500000116.4
1276N23.8Very low23Very low147 Ų147141.1 Ų141.179%0.78676%0.76SS**  trans85.3101.8159.2-64.73000116.3
1277D23.6Very low23.1Very low158 Ų158142.4 Ų142.485%0.84576%0.764SS**  64.1126.365.5-68.7-27.6000112.7
1278G23.6Very low23.2Very low64 Ų64139.2 Ų139.266%0.6676%0.757SS**  trans154.175.3154.800000117.1
1279N24.7Very low23.3Very low149 Ų149138.1 Ų138.180%0.79776%0.757SS**  trans73.599.8130-58.4-8.8000120.2
1280E23.5Very low23.3Very low177 Ų177138.8 Ų138.883%0.82776%0.762SS**  19.5122.9110.9-62.8-174.4163.500117.9
1281T24.4Very low23.5Very low147 Ų147136.2 Ų136.290%0.90277%0.767SS**  trans-139108.9145.132.30000109.8
1282M21.4Very low23.4Very low148 Ų148136.9 Ų136.973%0.72977%0.77SS**  trans-71.3153.6162.6-58.1-158.989.800111
1283F22.8Very low23.4Very low201 Ų201134.7 Ų134.788%0.88277%0.767SS**  trans-170.1103.5135.9-101.2-77.5000107.2
1284N22.6Very low23.4Very low115 Ų115133.7 Ų133.762%0.61577%0.765SS**  85.8134.371.2-101.9-5000116.4
1285N23.3Very low23.2Very low116 Ų116137.3 Ų137.362%0.6277%0.769SS**  trans89.1106.4151.8-61-11.3000117.9
1286Q22.4Very low23.2Very low167 Ų167143.2 Ų143.278%0.7878%0.778SS**  88.214866.1-84.3-174.1-4.700113.5
1287T24.4Very low23Very low133 Ų133144.3 Ų144.382%0.81678%0.782SS**  trans95136.5171.770.10000115.8
1288S21.9Very low22.8Very low91 Ų91146 Ų14664%0.63678%0.776SS**  cis163157.1-29.245.90000106.1
1289I25Very low22.8Very low145 Ų145148.7 Ų148.774%0.74478%0.776SS**  trans93.893163.6-51.7158.3000113.7
1290T22.8Very low22.6Very low121 Ų121148.7 Ų148.774%0.74277%0.771SS**  51.3105.777.363.80000116.2
1291V25.2Very low22.6Very low148 Ų148150 Ų15090%0.89777%0.77SS**  trans-149.4133131.6179.80000109.5
1292D22.5Very low22.5Very low149 Ų149147.6 Ų147.680%0.79776%0.759SS**  trans-73171.4-173.2-79.2-52.9000117.9
1293S22.9Very low22.6Very low112 Ų112145.2 Ų145.278%0.78376%0.763SS**  trans96115.8160.673.80000114.1
1294S22.6Very low22.7Very low96 Ų96141.9 Ų141.967%0.67175%0.754SS**  cis159.7132.11.640.70000104.6
1295Y20.3Very low22.6Very low231 Ų231142.9 Ų142.991%0.90676%0.76SS**  trans9277.7175.1-65.1-82.3000119
1296E22.6Very low22.6Very low192 Ų192148.5 Ų148.590%0.89777%0.774SS**  trans-152.9131.6135.6-107.3-175-170.100110.1
1297I21.5Very low22.5Very low170 Ų170145.4 Ų145.487%0.87277%0.771SS**  trans-116.9106.5167.8-66.5176.1000107.6
1298R19.5Very low22.4Very low194 Ų194145.4 Ų145.473%0.73277%0.765SS**  trans-107.4121.5160.5-177.4-179.5-174.4172.50.9106.8
1299N22.3Very low22.4Very low120 Ų120147.8 Ų147.864%0.64277%0.769SS**  trans-131.887.8158.7-92.6-12.2000108Y1301N1299-Y1301 HydrophobicContact CB-CE2 4.11Å
1300Q21.3Very low22.3Very low149 Ų149144.7 Ų144.770%0.69676%0.76SS**  trans-78.1110.9153.1-82.8174.6-45.400106.4S1302Q1300-S1302 PolarHBondContact O-N 2.77Å
1301Y23.2Very low22.2Very low204 Ų204146.4 Ų146.480%0.877%0.765SS**PPolyproline II helixtrans-74.8116166.8-74.4-84.1000108.6N1299N1299-Y1301 HydrophobicContact CB-CE2 4.11Å
1302S23Very low22.2Very low97 Ų97143.6 Ų143.668%0.67875%0.752SS**PPolyproline II helixtrans-65.3135.3168.447.40000110.7Q1300 N1304Q1300-S1302 PolarHBondContact O-N 2.77Å; S1302-N1304 PolarHBondContact O-N 2.79Å
1303A23.3Very low22.2Very low99 Ų99144 Ų14482%0.81875%0.754SS**PPolyproline II helixtrans-56.8117.4162.200000109.2
1304N23.2Very low22.3Very low130 Ų130145.2 Ų145.270%0.69575%0.751SS**  trans-145.9123.9161.4-90.1-15.1000108.7S1302S1302-N1304 PolarHBondContact O-N 2.79Å
1305D22.4Very low22.4Very low136 Ų136148 Ų14873%0.72776%0.758SS**  trans60.9104.6140.5-54.8-26.3000118.2S1307D1305-S1307 PolarHBondContact O-N 3.4Å
1306Y22.6Very low22.7Very low234 Ų234145 Ų14592%0.91875%0.752SS**  trans-52.583.4150.2-63.3-88.9000109.6L1308Y1306-L1308 VanDerWaalsContact C-N 3.29Å; Y1306-L1308 PolarHBondContact O-N 3.34Å
1307S21Very low22.8Very low102 Ų102143.7 Ų143.771%0.71375%0.746SS**  trans-69.996163.661.90000107.2D1305 I1309D1305-S1307 PolarHBondContact O-N 3.4Å; S1307-I1309 PolarHBondContact O-N 3.41Å
1308L21.9Very low22.9Very low134 Ų134143.8 Ų143.870%0.70274%0.742SS**  trans-45107.1155-83.5148.5000107.3Y1306 S1310Y1306-L1308 VanDerWaalsContact C-N 3.29Å; Y1306-L1308 PolarHBondContact O-N 3.34Å; L1308-S1310 PolarHBondContact O-N 2.77Å
1309I21Very low23.1Very low140 Ų140141.7 Ų141.772%0.71875%0.746SS**  trans-7378.7155.6-57.4176.6000104.5S1307 N1311S1307-I1309 PolarHBondContact O-N 3.41Å; I1309-N1311 PolarHBondContact O-N 2.87Å
1310S22.5Very low23.3Very low80 Ų80145.4 Ų145.456%0.55976%0.76SS**  trans-59.4111.1152.949.70000105.5L1308 S1312L1308-S1310 PolarHBondContact O-N 2.77Å; S1310-S1312 PolarHBondContact O-N 3.25Å
1311N22.4Very low23.4Very low157 Ų157146.4 Ų146.484%0.8476%0.764SS**  trans-66.466.4159.3-80.1-22.5000108.2I1309 L1313I1309-N1311 PolarHBondContact O-N 2.87Å; N1311-L1313 PolarHBondContact O-N 3.49Å
1312S23.8Very low23.5Very low90 Ų90145 Ų14563%0.62977%0.769SS**  trans-83.2103.3153.956.80000105.6S1310 D1314S1310-S1312 PolarHBondContact O-N 3.25Å; S1312-D1314 PolarHBondContact O-N 2.88Å
1313L22.8Very low23.6Very low158 Ų158148 Ų14883%0.82777%0.772SS**  trans-22.4109.9146-128.682.7000109.9N1311N1311-L1313 PolarHBondContact O-N 3.49Å
1314D24Very low23.6Very low136 Ų136153.4 Ų153.473%0.72778%0.777SS**  trans178.9107.9139.3-86.3-20.7000105.1S1312S1312-D1314 PolarHBondContact O-N 2.88Å
1315N26Very low23.6Very low155 Ų155154.8 Ų154.883%0.82978%0.777SS**  -179.2149.9112.5-87-40.1000113.3
1316H26.4Very low23.7Very low168 Ų168157.8 Ų157.878%0.77879%0.786SS**  trans-51.8138.3-179.6-81.2-83.5000115.4
1317H24.1Very low23.8Very low165 Ų165154.4 Ų154.476%0.76478%0.779SS**  trans40131.3136-79.2-56.5000123.3
1318Q25.1Very low23.9Very low171 Ų171155.2 Ų155.280%0.79978%0.78SS**  trans98.2101.7140.4-78179.8-9.300119.6
1319D23.8Very low23.9Very low151 Ų151157.2 Ų157.281%0.80779%0.79SS**  29.9117.2130-60.3-28.1000119.6
1320E25Very low24.1Very low198 Ų198159.2 Ų159.293%0.92579%0.794SS**  -167.8143.8109.9-106.5-172175.400112.3
1321H24.5Very low24.3Very low170 Ų170160.7 Ų160.779%0.78780%0.804SS**  trans-74.2136.4-179.1-80.6-90.2000113.3
1322L24.3Very low24.6Very low173 Ų173160.6 Ų160.691%0.90680%0.799SS**  -168.1133.2123.1-135.877.6000113.4
1323H24.5Very low24.8Very low160 Ų160162.7 Ų162.774%0.74180%0.797SS**  trans-74.6141.8177.6-73.6-80000114.3
1324K24.6Very low25.2Very low213 Ų213160.1 Ų160.193%0.92678%0.783SS**  -179.4138.9107.5-99.2175-178.7176.40112.7
1325K23.8Very low25.4Very low159 Ų159157.7 Ų157.769%0.69177%0.769SS**  trans-79.1140.9-167.1-69.5165.9167.61770113.9
1326H23.9Very low25.7Very low200 Ų200157.3 Ų157.393%0.92676%0.763SS**  trans-138.9109.1133.4-92.5-67.3000108.7
1327Q24.5Very low25.9Very low162 Ų162155.8 Ų155.876%0.75776%0.76SS**  trans-85.2123.7-176.9-79.4171.1-56.300111
1328T22.6Very low26.2Very low120 Ų120150.5 Ų150.574%0.73675%0.751SS**  trans-94.9126.1155.2400000109.1
1329L22.4Very low26.4Very low175 Ų175147.8 Ų147.892%0.91675%0.748SS**  trans-79.2114.9-177.6-77.4146000110.8
1330F26Very low26.5Very low182 Ų182144.5 Ų144.580%0.79873%0.733SS**  trans-115.3130.2167.6-78.7-82000109.9Q1332F1330-Q1332 PolarHBondContact O-N 3.34Å
1331S24.8Very low26.5Very low112 Ų112141.4 Ų141.478%0.78372%0.723SS**  trans-75.6109.6-179.751.40000111.4
1332Q28.9Very low26.6Very low155 Ų155138.1 Ų138.172%0.72471%0.706SS**  trans-91128.3177.4-75.2172.8-26.500111.3F1330F1330-Q1332 PolarHBondContact O-N 3.34Å
1333F29.1Very low26.7Very low134 Ų134136.3 Ų136.359%0.58870%0.696SS**  trans-80.1135.8166.5-68-86.9000109.2I1241I1241-F1333 HydrophobicContact CG2-CD1 4.22Å
1334I30.2Very low26.8Very low104 Ų104139.7 Ų139.753%0.53370%0.702SS.*EExtended strand (participates in β ladder)trans-105.7125.4175.4-59.8175000107.7
1335L29.7Very low26.8Very low84 Ų84137.9 Ų137.944%0.4470%0.697SS.*EExtended strand (participates in β ladder)trans-89.6121173.2-65.5161.7000107.4I1241I1241-L1335 HydrophobicContact CG1-CD2 4.18Å
1336E31.4Very low26.8Very low148 Ų148141.4 Ų141.469%0.69271%0.708SS**EExtended strand (participates in β ladder)trans-96.8123.5170.9-80.5-171.8160.700110
1337D30.6Very low26.9Very low135 Ų135138.4 Ų138.472%0.72270%0.699SS**PPolyproline II helixtrans-79.8122.9-178.1-72.2-38.8000111.7Y1239Y1239-D1337 WeakPolarHBondContact CE1-OD1 3.46Å
1338G31Very low26.8Very low55 Ų55136 Ų13657%0.56770%0.7SS**  trans-127116.3160.600000108.9
1339P29Very low26.8Very low113 Ų113137.5 Ų137.573%0.73470%0.703SS**  trans-81.8128-169.231.6-32.3000111.6
1340V26.3Very low27Very low83 Ų83134.6 Ų134.650%0.50370%0.697SS.*  trans-130.390.6154.6-176.70000106.7F1342V1340-F1342 PolarHBondContact O-N 2.87Å
1341D25.2Very low26.9Very low133 Ų133134 Ų13471%0.71170%0.697SS**  trans-73.4117.7174-73.1-33.7000110I1343D1341-I1343 PolarHBondContact O-N 3.44Å
1342F26.2Very low26.9Very low100 Ų100134 Ų13444%0.43970%0.697SS.*  trans-84.474.3174-71.6-85.7000111.1V1340 L1372V1340-F1342 PolarHBondContact O-N 2.87Å; F1342-L1372 HydrophobicContact CD1-CD2 3.99Å; F1342-L1372 HydrophobicContact CE1-CD2 3.65Å
1343I25.8Very low26.6Very low136 Ų136134.8 Ų134.870%0.69771%0.705SS**  trans-145.2128.3-178.5-48.4178.5000109.1D1341D1341-I1343 PolarHBondContact O-N 3.44Å
1344R25.9Very low26.3Very low230 Ų230136.2 Ų136.287%0.86871%0.713SS**  -171.6144.963.6-152.8168.2-160.1176.24.6112.5
1345E25.1Very low25.9Very low175 Ų175137.7 Ų137.782%0.81873%0.731SS**  trans-52.3137165.4-81.7173.1133.400112.7N1347E1345-N1347 PolarHBondContact O-N 3.29Å
1346Y23.5Very low25.6Very low233 Ų233141.6 Ų141.691%0.91475%0.745SS**  trans-74.788.5172.3-120.6-92.7000109.3S1348Y1346-S1348 PolarHBondContact O-N 2.89Å
1347N25.7Very low25.3Very low137 Ų137143.8 Ų143.873%0.73376%0.757SS**  trans-70.1117.9161.9-88.7-19.8000108.6E1345 L1349E1345-N1347 PolarHBondContact O-N 3.29Å; N1347-L1349 PolarHBondContact O-N 2.68Å
1348S23.7Very low25Very low111 Ų111143.9 Ų143.978%0.77676%0.758SS**  trans-55.298.2179530000111.5Y1346 S1350Y1346-S1348 PolarHBondContact O-N 2.89Å; S1348-S1350 PolarHBondContact O-N 3.41Å
1349L23Very low24.8Very low153 Ų153149.7 Ų149.780%0.80177%0.77SS**  trans-80.4108.7155.1-107.195.7000107.8N1347 Q1351N1347-L1349 PolarHBondContact O-N 2.68Å; L1349-Q1351 VanDerWaalsContact C-N 3.32Å; L1349-Q1351 PolarHBondContact O-N 3.04Å
1350S25.4Very low24.8Very low113 Ų113150.2 Ų150.279%0.7977%0.773SS**  trans-52.892.6160.848.90000110.2S1348S1348-S1350 PolarHBondContact O-N 3.41Å
1351Q24.9Very low24.8Very low170 Ų170153.4 Ų153.479%0.79479%0.786SS**  trans-150.7104.8154.9-106.2167.725.800108.1L1349 L1353L1349-Q1351 VanDerWaalsContact C-N 3.32Å; L1349-Q1351 PolarHBondContact O-N 3.04Å; Q1351-L1353 PolarHBondContact O-N 3.5Å
1352S24.1Very low24.7Very low112 Ų112151.9 Ų151.978%0.78378%0.783SS**  trans-53.8116.6175.450.30000111.5
1353L23.3Very low24.6Very low172 Ų172153.9 Ų153.990%0.90180%0.804SS**  trans-122.8109.8152.6-112.396.7000108.6Q1351Q1351-L1353 PolarHBondContact O-N 3.5Å
1354E22.5Very low24.5Very low163 Ų163155.9 Ų155.976%0.76281%0.808SS**  trans-64.9123.7176.9-63.3-179.5142.900110.6
1355C21.6Very low24.5Very low135 Ų135150.6 Ų150.691%0.91280%0.804SS**  trans-136.2101.1154.9-121.90000108.5M1357C1355-M1357 PolarHBondContact O-N 3.5Å
1356K22.7Very low24.6Very low166 Ų166148.8 Ų148.872%0.72281%0.807SS**  trans-68.4119.9-177.5-68.2170.2177.8169.50110.7
1357M24.9Very low24.8Very low194 Ų194140.9 Ų140.996%0.95680%0.797SS**  trans-136.4113.4147.2-80.9-137.2160.900109.1C1355C1355-M1357 PolarHBondContact O-N 3.5Å
1358N25.2Very low24.7Very low137 Ų137140.6 Ų140.673%0.73380%0.804SS**  trans-78.4114.3-174.6-64.4-35.3000109.9
1359H27.3Very low24.7Very low178 Ų178141.7 Ų141.782%0.82481%0.81SS**  175.8138.5123-86.1-60.1000109.6
1360P28Very low24.8Very low124 Ų124142.9 Ų142.981%0.80582%0.816SS**PPolyproline II helixtrans-89.7130.4-152.234-32.5000113.5
1361I26.3Very low24.7Very low149 Ų149146.3 Ų146.376%0.76482%0.819SS**PPolyproline II helixtrans-79.8139.8168.9-67.2165.8000108.6T1363I1361-T1363 PolarHBondContact O-N 2.97Å
1362P24.5Very low24.6Very low102 Ų102144.9 Ų144.966%0.66282%0.816SS**PPolyproline II helixtrans-67.6131.4176.527.7-33000111.1F1364P1362-F1364 PolarHBondContact O-N 3.04Å
1363T23.9Very low24.7Very low142 Ų142145.1 Ų145.187%0.87182%0.818SS**  trans-60.4104.8-178.638.80000112.2I1361I1361-T1363 PolarHBondContact O-N 2.97Å
1364F23.4Very low24.8Very low178 Ų178147.3 Ų147.378%0.78181%0.814SS**PPolyproline II helixtrans-81.8138.5157.8-73.6-84.9000109.1P1362P1362-F1364 PolarHBondContact O-N 3.04Å
1365P25.8Very low25Very low119 Ų119144.5 Ų144.577%0.77381%0.81SS**PPolyproline II helixtrans-64.5135.9177.526.4-30.6000109.7
1366P27.7Very low25.1Very low136 Ų136143.6 Ų143.688%0.88380%0.796SS**PPolyproline II helixtrans-80.7127-169.130.5-32.1000111.5
1367G25.9Very low25.3Very low68 Ų68145.6 Ų145.670%0.70180%0.8SS**  trans145.7113.8164.900000114
1368C24.2Very low25.4Very low131 Ų131141.3 Ų141.389%0.88578%0.781SS**  trans88.480.9167.1-520000118.3
1369C24.7Very low25.7Very low133 Ų133139.3 Ų139.390%0.89978%0.778SS**  trans-14998.7145.5-89.90000109.1Q1371C1369-Q1371 PolarHBondContact O-N 3.26Å
1370L23.5Very low26.2Very low178 Ų178132.5 Ų132.593%0.93275%0.752SS**  trans-80110.1169.5-74.9163.2000108.6
1371Q24.3Very low26.5Very low185 Ų185130 Ų13086%0.86473%0.734SS**  trans-110120.7174.6-168175.97.900109.2C1369 S1373C1369-Q1371 PolarHBondContact O-N 3.26Å; Q1371-S1373 PolarHBondContact O-N 3.36Å
1372L23.4Very low27Very low140 Ų140125.1 Ų125.173%0.73371%0.714SS**  trans-67.4122173.8-75.5162.4000109.6F1342 R1374F1342-L1372 HydrophobicContact CD1-CD2 3.99Å; F1342-L1372 HydrophobicContact CE1-CD2 3.65Å; L1372-R1374 PolarHBondContact O-N 2.9Å
1373S26.6Very low27.7Very low117 Ų117126.1 Ų126.182%0.81872%0.722SS**SBendtrans-81.4-14-166.459.40000115.2Q1371Q1371-S1373 PolarHBondContact O-N 3.36Å
1374R24.4Very low28.6Very low218 Ų218124.5 Ų124.582%0.82371%0.708SS**SBendtrans-151.1134.8176.7-66.4-169.9169.2155.3-2.5113.7L1372L1372-R1374 PolarHBondContact O-N 2.9Å
1375P26.1Very low29.2Very low104 Ų104117.1 Ų117.168%0.67568%0.677SS**PPolyproline II helixtrans-72.4127.9175.827.6-31.8000111.8Y1377P1375-Y1377 HydrophobicContact CB-CE2 4.13Å; P1375-Y1377 HydrophobicContact CG-CE2 4.12Å
1376L23.9Very low30.4Very low116 Ų116116.4 Ų116.461%0.60766%0.663SS**PPolyproline II helixtrans-92.2118.6175.4-112.3142.9000109.1L1378L1376-L1378 HydrophobicContact CD2-CG 4.48Å
1377Y27.7Very low31.2Very low208 Ų208110.8 Ų110.882%0.81663%0.625SS**PPolyproline II helixtrans-99.7121.7175.8-72-91.7000109P1375P1375-Y1377 HydrophobicContact CB-CE2 4.13Å; P1375-Y1377 HydrophobicContact CG-CE2 4.12Å
1378L26Very low32Very low105 Ų105107.6 Ų107.655%0.5559%0.592SS.*  trans-127.4131178.5-69.6167000109.5L1238 L1376L1238-L1378 HydrophobicContact CD2-CD1 3.36Å; L1376-L1378 HydrophobicContact CD2-CG 4.48Å
1379S33.1Very low32.7Very low95 Ų95103.9 Ų103.966%0.66456%0.563SS**  trans-107.4138176.956.50000110.8R1240R1240-S1379 PolarHBondContact NH2-O 3.25Å
1380A35.8Very low33.4Very low35 Ų3598.2 Ų98.229%0.28952%0.524SS..  trans-66.1132.8169.100000109.2D1385 F1387A1380-D1385 HydrophobicContact CB-CB 4.21Å; A1380-F1387 HydrophobicContact CB-CE2 4.19Å
1381T34.5Very low34.3Very low70 Ų7093.6 Ų93.643%0.42950%0.499SS..SBendtrans-94.2-6.5174.146.30000112.4R1240 D1385R1240-T1381 PolarHBondContact NH1-OG1 2.87Å; R1240-T1381 VanDerWaalsContact NH2-CG2 3.34Å; R1240-T1381 PolarHBondContact NH2-OG1 3.44Å; T1381-D1385 WeakPolarHBondContact CA-OD2 3.48Å; T1381-D1385 PolarHBondContact N-OD2 2.9Å; T1381-D1385 PolarHBondContact OG1-OD2 3.48Å
1382S36.8Very low34.8Very low47 Ų4788.3 Ų88.333%0.32948%0.481SS..SBendtrans-150.2153.8169.689.60000109.4N1384 D1385S1382-N1384 PolarHBondContact O-N 3.4Å; S1382-N1384 PolarHBondContact OG-N 3.01Å; S1382-D1385 WeakPolarHBondContact CB-OD1 3.47Å; S1382-D1385 PolarHBondContact N-OD2 3.44Å; S1382-D1385 WeakPolarHBondContact O-CB 3.43Å; S1382-D1385 PolarHBondContact O-N 3.46Å; S1382-D1385 PolarHBondContact OG-N 2.82Å; S1382-D1385 PolarHBondContact OG-OD1 3.42Å
1383C40.1Very low35.6Very low124 Ų12485.9 Ų85.984%0.83848%0.476SS*.THydrogen-bonded Turntrans-65.6-4.9173.833.10000114
1384N42Very low36Very low108 Ų10882.9 Ų82.958%0.57846%0.463SS*.THydrogen-bonded Turntrans-101-4.4171.2-64.8-21.3000113S1382 Q1386S1382-N1384 PolarHBondContact O-N 3.4Å; S1382-N1384 PolarHBondContact OG-N 3.01Å; N1384-Q1386 PolarHBondContact O-N 3.16Å
1385D37.6Very low36.7Very low23 Ų2379.1 Ų79.112%0.12345%0.454CS..  trans-71.4118.8179.3-67.8-0.8000109.2R1240 A1380 T1381 S1382 F1387R1240-D1385 IonicContact CZ-OD2 2.83Å; R1240-D1385 IonicContact NE-OD2 3.72Å; R1240-D1385 IonicContact NH1-OD2 3.41Å; R1240-D1385 IonicContact NH2-OD2 3.84Å; R1240-D1385 PolarHBondContact NH2-OD2 2.93Å; A1380-D1385 HydrophobicContact CB-CB 4.21Å; T1381-D1385 WeakPolarHBondContact CA-OD2 3.48Å; T1381-D1385 PolarHBondContact N-OD2 2.9Å; T1381-D1385 PolarHBondContact OG1-OD2 3.48Å; S1382-D1385 WeakPolarHBondContact CB-OD1 3.47Å; S1382-D1385 PolarHBondContact N-OD2 3.44Å; S1382-D1385 WeakPolarHBondContact O-CB 3.43Å; S1382-D1385 PolarHBondContact O-N 3.46Å; S1382-D1385 PolarHBondContact OG-N 2.82Å; S1382-D1385 PolarHBondContact OG-OD1 3.42Å; D1385-F1387 HydrophobicContact CB-CE2 4.46Å
1386Q49.4Very low37.2Very low103 Ų10379.3 Ų79.348%0.48144%0.442SS..EExtended strand (participates in β ladder)trans-110.7144.2172.2-67.1-177.1-9.700109.4I1241 N1384 I1398I1241-Q1386 HydrophobicContact CB-CB 4.34Å; I1241-Q1386 WeakPolarHBondContact CB-O 3.27Å; I1241-Q1386 PolarHBondContact N-O 3.23Å; I1241-Q1386 PolarHBondContact O-N 2.86Å; N1384-Q1386 PolarHBondContact O-N 3.16Å; Q1386-I1398 HydrophobicContact CB-CG2 4.35Å
1387F44.3Very low38Very low19 Ų1976.8 Ų76.88%0.08343%0.434CS..EExtended strand (participates in β ladder)trans-115.6141178.2-61.7-87.3000109Y1239 R1240 A1380 D1385 I1398 L1399 V1401Y1239-F1387 CarbonylContact O-C 3.47Å; Y1239-F1387 WeakPolarHBondContact O-CA 3.36Å; R1240-F1387 HydrophobicContact CB-CD1 4.08Å; R1240-F1387 HydrophobicContact CB-CE1 4.07Å; R1240-F1387 HydrophobicContact CG-CD1 4.05Å; R1240-F1387 HydrophobicContact CG-CE1 3.69Å; R1240-F1387 HydrophobicContact CG-CZ 4.36Å; A1380-F1387 HydrophobicContact CB-CE2 4.19Å; D1385-F1387 HydrophobicContact CB-CE2 4.46Å; F1387-I1398 CarbonylContact O-C 3.45Å; F1387-I1398 WeakPolarHBondContact O-CA 3.47Å; F1387-L1399 HydrophobicContact CB-CD1 4.42Å; F1387-L1399 PolarHBondContact O-N 3.02Å; F1387-V1401 HydrophobicContact CD2-CG2 4.47Å
1388A44.3Very low38.5Very low1 Ų171.2 Ų71.21%0.00842%0.417CS..EExtended strand (participates in β ladder)trans-138143.5-17900000112.4Y1239 I1241 C1397 I1398Y1239-A1388 PolarHBondContact N-O 3.06Å; Y1239-A1388 PolarHBondContact O-N 2.96Å; I1241-A1388 HydrophobicContact CD1-CB 3.92Å; A1388-C1397 CarbonylContact C-O 3.52Å; A1388-C1397 VanDerWaalsContact CA-O 3.22Å; A1388-C1397 WeakPolarHBondContact CA-O 3.27Å; A1388-I1398 HydrophobicContact CB-CG1 4.16Å
1389L38.5Very low38.9Very low53 Ų5369.4 Ų69.428%0.27741%0.407SS..EExtended strand (participates in β ladder)trans-95.8129.5170.9-76.5163.2000109.6L1238 M1391 Y1396 C1397 L1399L1238-L1389 HydrophobicContact CB-CD2 4.12Å; L1238-L1389 HydrophobicContact CD1-CD2 3.62Å; L1238-L1389 HydrophobicContact CD1-CG 3.81Å; L1238-L1389 HydrophobicContact CG-CD2 4.49Å; L1389-M1391 PolarHBondContact O-N 2.83Å; L1389-Y1396 CarbonylContact O-C 3.52Å; L1389-Y1396 WeakPolarHBondContact O-CA 3.46Å; L1389-C1397 PolarHBondContact N-O 3.24Å; L1389-C1397 PolarHBondContact O-N 3.09Å; L1389-L1399 HydrophobicContact CD1-CD1 4.27Å; L1389-L1399 HydrophobicContact CD1-CD2 3.83Å; L1389-L1399 HydrophobicContact CD1-CG 4.29Å; L1389-L1399 HydrophobicContact CG-CD1 4.22Å; L1389-L1399 HydrophobicContact CG-CG 4.44Å
1390S39.3Very low39Very low13 Ų1369.4 Ų69.49%0.09141%0.405CS..EExtended strand (participates in β ladder)trans-71.2124165.968.60000108.8T1236 S1237T1236-S1390 WeakPolarHBondContact CA-O 3.43Å; T1236-S1390 WeakPolarHBondContact CG2-O 3.46Å; S1237-S1390 PolarHBondContact N-OG 2.77Å; S1237-S1390 PolarHBondContact O-N 3.05Å; S1237-S1390 PolarHBondContact O-OG 3.17Å; S1237-S1390 PolarHBondContact OG-OG 3.25Å
1391M41.3Very low38.8Very low81 Ų8173.1 Ų73.140%0.39942%0.424SS..PPolyproline II helixtrans-91.6152.7174-59.7-64.6-78.400109.3L1389 S1393 G1394 H1395 C1397L1389-M1391 PolarHBondContact O-N 2.83Å; M1391-S1393 PolarHBondContact O-N 2.86Å; M1391-G1394 PolarHBondContact O-N 3.2Å; M1391-H1395 VanDerWaalsContact CB-O 3.24Å; M1391-H1395 WeakPolarHBondContact CB-O 3.44Å; M1391-H1395 WeakPolarHBondContact CG-O 3.37Å; M1391-H1395 PolarHBondContact N-O 3.02Å; M1391-C1397 HydrophobicContact CG-CB 4.02Å; M1391-C1397 HydrophobicContact SD-CB 4.29Å
1392P34.9Very low38.6Very low75 Ų7576.3 Ų76.349%0.48744%0.438SS..THydrogen-bonded Turntrans-56.8-19.8176.8-24.733.8000114.2L1234 T1236 G1394L1234-P1392 HydrophobicContact CD2-CG 4.15Å; T1236-P1392 HydrophobicContact CG2-CG 4.36Å; P1392-G1394 PolarHBondContact O-N 3.22Å
1393S40.3Very low38.3Very low89 Ų8980.8 Ų80.862%0.62246%0.457SS*.THydrogen-bonded Turntrans-74.51.8173.858.80000114.4M1391 H1395M1391-S1393 PolarHBondContact O-N 2.86Å; S1393-H1395 PolarHBondContact O-N 3.02Å
1394G35.5Very low37.7Very low53 Ų5380.3 Ų80.355%0.54645%0.445SS..SBendtrans76.1-3.3-172.200000114.2M1391 P1392M1391-G1394 PolarHBondContact O-N 3.2Å; P1392-G1394 PolarHBondContact O-N 3.22Å
1395H39.3Very low37.4Very low139 Ų13983.6 Ų83.664%0.64445%0.454SS*.  trans-81.6136.5175.6-85.464.6000111.5M1391 S1393M1391-H1395 VanDerWaalsContact CB-O 3.24Å; M1391-H1395 WeakPolarHBondContact CB-O 3.44Å; M1391-H1395 WeakPolarHBondContact CG-O 3.37Å; M1391-H1395 PolarHBondContact N-O 3.02Å; S1393-H1395 PolarHBondContact O-N 3.02Å
1396Y37.3Very low37.6Very low108 Ų10884.7 Ų84.742%0.42446%0.463SS..EExtended strand (participates in β ladder)trans-88.8116.8170.8-66.2-88.9000109.7Y1239 L1389Y1239-Y1396 HydrophobicContact CD2-CD1 4.24Å; Y1239-Y1396 AromaticContact CD2-CE1 3.75Å; Y1239-Y1396 HydrophobicContact CD2-CE1 3.75Å; Y1239-Y1396 AromaticContact CE2-CE1 3.89Å; Y1239-Y1396 HydrophobicContact CE2-CE1 3.89Å; Y1239-Y1396 HydrophobicContact CG-CE1 4.37Å; L1389-Y1396 CarbonylContact O-C 3.52Å; L1389-Y1396 WeakPolarHBondContact O-CA 3.46Å
1397C39.1Very low37.3Very low63 Ų6381.1 Ų81.143%0.42645%0.447SS..EExtended strand (participates in β ladder)trans-88105.1173.9-173.10000109.1A1388 L1389 M1391 L1399A1388-C1397 CarbonylContact C-O 3.52Å; A1388-C1397 VanDerWaalsContact CA-O 3.22Å; A1388-C1397 WeakPolarHBondContact CA-O 3.27Å; L1389-C1397 PolarHBondContact N-O 3.24Å; L1389-C1397 PolarHBondContact O-N 3.09Å; M1391-C1397 HydrophobicContact CG-CB 4.02Å; M1391-C1397 HydrophobicContact SD-CB 4.29Å; C1397-L1399 PolarHBondContact O-N 2.77Å
1398I39.4Very low37.6Very low91 Ų9181.1 Ų81.147%0.46745%0.453SS..EExtended strand (participates in β ladder)trans-69.5122.4176.4-59.7172.9000108.4Q1386 F1387 A1388Q1386-I1398 HydrophobicContact CB-CG2 4.35Å; F1387-I1398 CarbonylContact O-C 3.45Å; F1387-I1398 WeakPolarHBondContact O-CA 3.47Å; A1388-I1398 HydrophobicContact CB-CG1 4.16Å
1399L35Very low38.1Very low67 Ų6783.8 Ų83.835%0.35146%0.464SS..EExtended strand (participates in β ladder)trans-76123.3-179.8-70.9169.9000109.9L1238 F1387 L1389 C1397 V1401L1238-L1399 HydrophobicContact CD1-CD1 3.69Å; F1387-L1399 HydrophobicContact CB-CD1 4.42Å; F1387-L1399 PolarHBondContact O-N 3.02Å; L1389-L1399 HydrophobicContact CD1-CD1 4.27Å; L1389-L1399 HydrophobicContact CD1-CD2 3.83Å; L1389-L1399 HydrophobicContact CD1-CG 4.29Å; L1389-L1399 HydrophobicContact CG-CD1 4.22Å; L1389-L1399 HydrophobicContact CG-CG 4.44Å; C1397-L1399 PolarHBondContact O-N 2.77Å; L1399-V1401 PolarHBondContact O-N 3.16Å; L1399-V1401 VanDerWaalsContact O-N 3.16Å
1400P34.4Very low39Very low95 Ų9585.8 Ų85.862%0.61748%0.475SS*.  trans-74.7104.3178.428.9-31.8000109.8D1402P1400-D1402 PolarHBondContact O-N 3.28Å
1401V32.5Very low39.8Very low113 Ų11386.8 Ų86.869%0.68548%0.479SS*.  trans-94.377.1169.1-1710000107.6F1387 L1399F1387-V1401 HydrophobicContact CD2-CG2 4.47Å; L1399-V1401 PolarHBondContact O-N 3.16Å; L1399-V1401 VanDerWaalsContact O-N 3.16Å
1402D30.1Very low40.7Very low137 Ų13785.6 Ų85.673%0.73348%0.475SS*.  trans-92.1145.2175.6-79.2-35.7000111.4P1400P1400-D1402 PolarHBondContact O-N 3.28Å
1403I29.7Very low42.1Very low141 Ų14185.1 Ų85.172%0.72347%0.467SS*.  trans104.195.7166.1-48.7159.7000115.5K1405I1403-K1405 HydrophobicContact CG2-CG 4.03Å
1404I28.4Very low43.2Very low115 Ų11586.2 Ų86.259%0.5946%0.461SS*.  trans-118.8124.4150-57.8175.6000106.6P1406 S1432 P1434I1404-P1406 WeakPolarHBondContact O-CD 3.22Å; I1404-S1432 WeakPolarHBondContact CG2-OG 3.22Å; I1404-P1434 HydrophobicContact CD1-CG 4.48Å
1405K35.1Very low44.3Very low176 Ų17688.3 Ų88.377%0.76547%0.465SS*.  trans-97.1110.6-179.6-69-177.5-179.6-179.70110.4I1403I1403-K1405 HydrophobicContact CG2-CG 4.03Å
1406P41.4Very low44.6Very low46 Ų4685.8 Ų85.830%0.29946%0.456SS..  trans-90.1-5.9-169.133.8-35.9000115.9I1404 C1429 V1430 F1456I1404-P1406 WeakPolarHBondContact O-CD 3.22Å; P1406-C1429 CarbonylContact O-C 3.51Å; P1406-C1429 WeakPolarHBondContact O-CA 3.22Å; P1406-V1430 PolarHBondContact O-N 3.28Å; P1406-F1456 HydrophobicContact CG-CZ 4.31Å
1407L43.8Very low45.1Very low28 Ų2886.2 Ų86.215%0.14747%0.472CS..EExtended strand (participates in β ladder)trans-110.5131-176.1-66.9176.9000112.9F1409 I1427 T1428 C1429 V1551 M1590L1407-F1409 HydrophobicContact CB-CE2 3.75Å; L1407-F1409 HydrophobicContact CB-CZ 4.12Å; L1407-F1409 HydrophobicContact CD1-CZ 4.15Å; L1407-I1427 HydrophobicContact CD2-CG2 4.41Å; L1407-T1428 CarbonylContact C-O 3.59Å; L1407-T1428 VanDerWaalsContact CA-O 3.32Å; L1407-T1428 WeakPolarHBondContact CA-O 3.25Å; L1407-C1429 HydrophobicContact CD2-CB 4.38Å; L1407-V1551 HydrophobicContact CD2-CG1 4.35Å; L1407-M1590 HydrophobicContact CD1-SD 3.52Å; L1407-M1590 VanDerWaalsContact CD1-SD 3.52Å; L1407-M1590 HydrophobicContact CG-SD 4.5Å
1408G48.9Very low45.8Very low20 Ų2092.6 Ų92.621%0.20649%0.492CS..EExtended strand (participates in β ladder)trans-97.2134.216900000111.4I1427 T1428G1408-I1427 WeakPolarHBondContact O-CA 3.46Å; G1408-T1428 PolarHBondContact N-O 3.38Å; G1408-T1428 PolarHBondContact O-N 3.26Å
1409F56.7Low47.2Very low56 Ų5692.3 Ų92.325%0.24650%0.495CS..EExtended strand (participates in β ladder)trans-118.4128.3177.4-64.1-93.1000109.7L1407 L1425 N1426 I1427 F1586 V1605L1407-F1409 HydrophobicContact CB-CE2 3.75Å; L1407-F1409 HydrophobicContact CB-CZ 4.12Å; L1407-F1409 HydrophobicContact CD1-CZ 4.15Å; F1409-L1425 HydrophobicContact CD1-CD1 4.43Å; F1409-L1425 HydrophobicContact CD1-CD2 4.48Å; F1409-N1426 WeakPolarHBondContact CA-O 3.33Å; F1409-I1427 HydrophobicContact CD1-CD1 4.42Å; F1409-I1427 HydrophobicContact CD1-CG1 3.92Å; F1409-I1427 HydrophobicContact CD1-CG2 4.31Å; F1409-I1427 HydrophobicContact CE1-CD1 4.06Å; F1409-I1427 HydrophobicContact CE1-CG1 3.97Å; F1409-I1427 HydrophobicContact CE1-CG2 3.91Å; F1409-I1427 HydrophobicContact CZ-CG2 4.35Å; F1409-F1586 HydrophobicContact CE1-CD1 4.11Å; F1409-F1586 HydrophobicContact CE1-CE1 4.21Å; F1409-V1605 HydrophobicContact CB-CG1 4.43Å; F1409-V1605 HydrophobicContact CD1-CG2 4.43Å; F1409-V1605 HydrophobicContact CD2-CG1 4.14Å; F1409-V1605 HydrophobicContact CD2-CG2 4.08Å; F1409-V1605 HydrophobicContact CE1-CG2 4.09Å; F1409-V1605 HydrophobicContact CE2-CG2 3.73Å; F1409-V1605 HydrophobicContact CG-CG1 4.15Å; F1409-V1605 HydrophobicContact CG-CG2 4.43Å; F1409-V1605 HydrophobicContact CZ-CG2 3.74Å
1410N55.6Low49.1Very low96 Ų9693.2 Ų93.251%0.51349%0.494SS..EExtended strand (participates in β ladder)trans-131.1130174.8-166.66.7000110.4N1426N1410-N1426 HydrophobicContact CB-CB 4.36Å; N1410-N1426 PolarHBondContact N-O 2.89Å; N1410-N1426 PolarHBondContact O-N 3.31Å
1411L57.1Low50.8Low33 Ų3389 Ų8917%0.17347%0.467CS..EExtended strand (participates in β ladder)trans-112.3113.8-174-174.573.1000110F1423 L1425 F1463 C1607 I1609L1411-F1423 HydrophobicContact CD1-CB 4.29Å; L1411-F1423 HydrophobicContact CD1-CD1 4.06Å; L1411-F1423 HydrophobicContact CD2-CD1 3.92Å; L1411-F1423 HydrophobicContact CD2-CE1 4.25Å; L1411-F1423 HydrophobicContact CG-CD1 4.08Å; L1411-L1425 HydrophobicContact CB-CD1 4.41Å; L1411-L1425 HydrophobicContact CD1-CB 4.18Å; L1411-L1425 HydrophobicContact CD1-CD1 4Å; L1411-F1463 HydrophobicContact CD1-CE2 4.09Å; L1411-F1463 HydrophobicContact CD1-CZ 3.81Å; L1411-F1463 HydrophobicContact CD2-CZ 4.05Å; L1411-C1607 HydrophobicContact CD2-CB 4.15Å; L1411-I1609 HydrophobicContact CD2-CG1 4.35Å
1412N60.9Low52.6Low57 Ų5785 Ų8531%0.30544%0.441SS..EExtended strand (participates in β ladder)trans-104.3139.6176.9-66.9-26.9000110.5F1414 F1423 S1424N1412-F1414 HydrophobicContact CB-CE2 3.87Å; N1412-F1414 HydrophobicContact CB-CZ 4.08Å; N1412-F1423 CarbonylContact O-C 3.59Å; N1412-F1423 WeakPolarHBondContact O-CA 3.4Å; N1412-S1424 PolarHBondContact N-O 3.29Å; N1412-S1424 PolarHBondContact O-N 3.3Å
1413I64.1Low54.6Low64 Ų6478.4 Ų78.433%0.32841%0.406SS..EExtended strand (participates in β ladder)trans-116122.3-178.7-51.8176.5000108.9P1415 V1421 I1422 F1423 I1609I1413-P1415 WeakPolarHBondContact O-CD 3.47Å; I1413-V1421 HydrophobicContact CG2-CG1 3.68Å; I1413-I1422 CarbonylContact C-O 3.59Å; I1413-F1423 HydrophobicContact CD1-CD1 4.09Å; I1413-F1423 HydrophobicContact CD1-CE1 3.38Å; I1413-F1423 HydrophobicContact CD1-CZ 3.8Å; I1413-F1423 HydrophobicContact CG1-CD1 3.72Å; I1413-F1423 HydrophobicContact CG1-CE1 3.53Å; I1413-F1423 HydrophobicContact CG1-CG 4.44Å; I1413-F1423 HydrophobicContact CG1-CZ 4.09Å; I1413-F1423 HydrophobicContact CG2-CE1 4.4Å; I1413-F1423 HydrophobicContact CG2-CE2 4.21Å; I1413-F1423 HydrophobicContact CG2-CZ 4.13Å; I1413-I1609 HydrophobicContact CD1-CG2 3.74Å
1414F63.4Low56.4Low112 Ų11272.4 Ų72.449%0.49138%0.376SS..EExtended strand (participates in β ladder)trans-113.499.7177.3-58.7-79.3000109.3N1412 L1416 I1422N1412-F1414 HydrophobicContact CB-CE2 3.87Å; N1412-F1414 HydrophobicContact CB-CZ 4.08Å; F1414-L1416 PolarHBondContact O-N 3.29Å; F1414-I1422 HydrophobicContact CB-CB 4.32Å; F1414-I1422 PolarHBondContact N-O 3.38Å; F1414-I1422 PolarHBondContact O-N 2.93Å
1415P57.4Low58.2Low98 Ų9867 Ų6764%0.63635%0.349SS*.EExtended strand (participates in β ladder)trans-72.5112.4172.828-30.9000109.4I1413I1413-P1415 WeakPolarHBondContact O-CD 3.47Å
1416L47.2Very low59.4Low86 Ų8660.5 Ų60.545%0.4532%0.322SS..  trans-86.7118.6167.7-73.7166.3000108.1F1414 K1418 Y1420 I1422F1414-L1416 PolarHBondContact O-N 3.29Å; L1416-K1418 PolarHBondContact O-N 3.29Å; L1416-Y1420 WeakPolarHBondContact CB-O 3.48Å; L1416-Y1420 PolarHBondContact N-O 2.98Å; L1416-Y1420 VanDerWaalsContact N-O 3.13Å; L1416-Y1420 VanDerWaalsContact O-O 3.13Å; L1416-I1422 HydrophobicContact CD1-CD1 3.38Å; L1416-I1422 HydrophobicContact CD1-CG1 4.03Å; L1416-I1422 HydrophobicContact CG-CD1 4.33Å
1417P46.6Very low60.2Low116 Ų11658.3 Ų58.375%0.75331%0.308SS*.THydrogen-bonded Turntrans-61.7118.3-175.721.8-29.6000110
1418K54.1Low60.8Low197 Ų19759.5 Ų59.586%0.85732%0.317SS*.THydrogen-bonded Turntrans97.8-11.6166.1-54.2178179.3-179.20119.3L1416L1416-K1418 PolarHBondContact O-N 3.29Å
1419T68.5Low60.8Low85 Ų8559.3 Ų59.352%0.52131%0.312SS..SBendtrans-130.2-53.8-178.550.60000114.2S1565T1419-S1565 WeakPolarHBondContact O-CB 3.49Å; T1419-S1565 PolarHBondContact O-N 3.48Å
1420Y76Confident60.4Low87 Ų8760.2 Ų60.234%0.34132%0.322SS..EExtended strand (participates in β ladder)trans-137.6152.9-173.3-61.7-82.5000112.5L1416 R1562 F1563 K1564L1416-Y1420 WeakPolarHBondContact CB-O 3.48Å; L1416-Y1420 PolarHBondContact N-O 2.98Å; L1416-Y1420 VanDerWaalsContact N-O 3.13Å; L1416-Y1420 VanDerWaalsContact O-O 3.13Å; Y1420-R1562 HydrophobicContact CD1-CB 4.36Å; Y1420-F1563 CarbonylContact C-O 3.56Å; Y1420-F1563 WeakPolarHBondContact CA-O 3.35Å; Y1420-K1564 HydrophobicContact CD1-CG 4.29Å; Y1420-K1564 HydrophobicContact CE1-CG 3.87Å
1421V69.7Low59.7Low6 Ų659.1 Ų59.14%0.03632%0.316CS..EExtended strand (participates in β ladder)trans-107.1124164.7-177.30000106.9I1413 F1423 F1563 Y1568I1413-V1421 HydrophobicContact CG2-CG1 3.68Å; V1421-F1423 HydrophobicContact CB-CE2 4.47Å; V1421-F1423 HydrophobicContact CG1-CD2 4.12Å; V1421-F1423 HydrophobicContact CG1-CE2 3.66Å; V1421-F1563 PolarHBondContact N-O 3.43Å; V1421-F1563 PolarHBondContact O-N 3Å; V1421-Y1568 HydrophobicContact CB-CD1 4.37Å; V1421-Y1568 HydrophobicContact CB-CG 4.49Å; V1421-Y1568 HydrophobicContact CG1-CD1 4.48Å; V1421-Y1568 HydrophobicContact CG1-CE1 4.38Å; V1421-Y1568 HydrophobicContact CG2-CD1 3.74Å; V1421-Y1568 HydrophobicContact CG2-CE1 4.25Å; V1421-Y1568 HydrophobicContact CG2-CG 4.2Å
1422I70.2Confident58.6Low28 Ų2860.3 Ų60.314%0.14433%0.327CS..EExtended strand (participates in β ladder)trans-101.9126-178.9-60.4179.2000109.3I1413 F1414 L1416 L1542 P1560 W1561I1413-I1422 CarbonylContact C-O 3.59Å; F1414-I1422 HydrophobicContact CB-CB 4.32Å; F1414-I1422 PolarHBondContact N-O 3.38Å; F1414-I1422 PolarHBondContact O-N 2.93Å; L1416-I1422 HydrophobicContact CD1-CD1 3.38Å; L1416-I1422 HydrophobicContact CD1-CG1 4.03Å; L1416-I1422 HydrophobicContact CG-CD1 4.33Å; I1422-L1542 HydrophobicContact CD1-CD1 3.91Å; I1422-L1542 HydrophobicContact CG1-CD1 4.35Å; I1422-P1560 HydrophobicContact CG2-CB 3.98Å; I1422-W1561 CarbonylContact C-O 3.29Å; I1422-W1561 VanDerWaalsContact CA-O 3.29Å; I1422-W1561 WeakPolarHBondContact CA-O 3.42Å
1423F72.1Confident57.4Low0 Ų062.2 Ų62.20%034%0.337CS..EExtended strand (participates in β ladder)trans-103.7113.6172.1-78.2-105000109L1411 N1412 I1413 V1421 F1463 I1465 P1560 W1561 F1563 Y1568 I1609L1411-F1423 HydrophobicContact CD1-CB 4.29Å; L1411-F1423 HydrophobicContact CD1-CD1 4.06Å; L1411-F1423 HydrophobicContact CD2-CD1 3.92Å; L1411-F1423 HydrophobicContact CD2-CE1 4.25Å; L1411-F1423 HydrophobicContact CG-CD1 4.08Å; N1412-F1423 CarbonylContact O-C 3.59Å; N1412-F1423 WeakPolarHBondContact O-CA 3.4Å; I1413-F1423 HydrophobicContact CD1-CD1 4.09Å; I1413-F1423 HydrophobicContact CD1-CE1 3.38Å; I1413-F1423 HydrophobicContact CD1-CZ 3.8Å; I1413-F1423 HydrophobicContact CG1-CD1 3.72Å; I1413-F1423 HydrophobicContact CG1-CE1 3.53Å; I1413-F1423 HydrophobicContact CG1-CG 4.44Å; I1413-F1423 HydrophobicContact CG1-CZ 4.09Å; I1413-F1423 HydrophobicContact CG2-CE1 4.4Å; I1413-F1423 HydrophobicContact CG2-CE2 4.21Å; I1413-F1423 HydrophobicContact CG2-CZ 4.13Å; V1421-F1423 HydrophobicContact CB-CE2 4.47Å; V1421-F1423 HydrophobicContact CG1-CD2 4.12Å; V1421-F1423 HydrophobicContact CG1-CE2 3.66Å; F1423-F1463 HydrophobicContact CB-CE1 3.82Å; F1423-F1463 HydrophobicContact CB-CZ 4.43Å; F1423-F1463 AromaticContact CD1-CE1 3.88Å; F1423-F1463 HydrophobicContact CD1-CE1 3.88Å; F1423-F1463 AromaticContact CD1-CZ 3.98Å; F1423-F1463 HydrophobicContact CD1-CZ 3.98Å; F1423-F1463 AromaticContact CG-CE1 3.88Å; F1423-F1463 HydrophobicContact CG-CE1 3.88Å; F1423-F1463 HydrophobicContact CG-CZ 4.41Å; F1423-I1465 HydrophobicContact CD2-CD1 4.42Å; F1423-I1465 HydrophobicContact CE1-CD1 4.3Å; F1423-I1465 HydrophobicContact CE2-CD1 3.72Å; F1423-I1465 HydrophobicContact CZ-CD1 3.65Å; F1423-P1560 CarbonylContact O-C 3.48Å; F1423-P1560 WeakPolarHBondContact O-CA 3.36Å; F1423-W1561 HydrophobicContact CB-CB 4.38Å; F1423-W1561 PolarHBondContact N-O 3.38Å; F1423-W1561 PolarHBondContact O-N 2.84Å; F1423-F1563 HydrophobicContact CB-CE2 4.25Å; F1423-F1563 AromaticContact CD2-CD2 3.5Å; F1423-F1563 HydrophobicContact CD2-CD2 3.5Å; F1423-F1563 VanDerWaalsContact CD2-CD2 3.5Å; F1423-F1563 AromaticContact CD2-CE2 3.65Å; F1423-F1563 HydrophobicContact CD2-CE2 3.65Å; F1423-F1563 AromaticContact CE2-CD2 3.97Å; F1423-F1563 HydrophobicContact CE2-CD2 3.97Å; F1423-F1563 HydrophobicContact CE2-CE2 4.25Å; F1423-F1563 HydrophobicContact CG-CD2 4.35Å; F1423-F1563 HydrophobicContact CG-CE2 4.08Å; F1423-Y1568 HydrophobicContact CE2-CD2 4.25Å; F1423-Y1568 AromaticContact CE2-CE2 3.89Å; F1423-Y1568 HydrophobicContact CE2-CE2 3.89Å; F1423-Y1568 HydrophobicContact CZ-CD2 4.43Å; F1423-Y1568 AromaticContact CZ-CE2 3.67Å; F1423-Y1568 HydrophobicContact CZ-CE2 3.67Å; F1423-I1609 HydrophobicContact CE1-CD1 3.8Å; F1423-I1609 HydrophobicContact CE1-CG1 4.29Å; F1423-I1609 HydrophobicContact CZ-CD1 4.19Å
1424S66.7Low56.1Low15 Ų1563 Ų6311%0.10535%0.346CS..EExtended strand (participates in β ladder)trans-98.2110.8174.5-176.20000109.8N1412 N1426N1412-S1424 PolarHBondContact N-O 3.29Å; N1412-S1424 PolarHBondContact O-N 3.3Å; S1424-N1426 PolarHBondContact OG-OD1 2.94Å
1425L67.6Low54.6Low1 Ų162.4 Ų62.41%0.00535%0.348CS..EExtended strand (participates in β ladder)trans-90.6111173.1-175.770.1000109.5F1409 L1411 I1427 S1558 I1559 F1586F1409-L1425 HydrophobicContact CD1-CD1 4.43Å; F1409-L1425 HydrophobicContact CD1-CD2 4.48Å; L1411-L1425 HydrophobicContact CB-CD1 4.41Å; L1411-L1425 HydrophobicContact CD1-CB 4.18Å; L1411-L1425 HydrophobicContact CD1-CD1 4Å; L1425-I1427 HydrophobicContact CD2-CD1 4.17Å; L1425-I1427 HydrophobicContact CD2-CG1 4.28Å; L1425-I1427 HydrophobicContact CG-CG1 4.14Å; L1425-S1558 WeakPolarHBondContact O-CA 3.36Å; L1425-I1559 PolarHBondContact N-O 3.48Å; L1425-I1559 PolarHBondContact O-N 2.91Å; L1425-F1586 HydrophobicContact CD2-CB 3.84Å; L1425-F1586 HydrophobicContact CD2-CD1 3.68Å; L1425-F1586 HydrophobicContact CD2-CD2 3.41Å; L1425-F1586 VanDerWaalsContact CD2-CD2 3.41Å; L1425-F1586 HydrophobicContact CD2-CE1 4.02Å; L1425-F1586 HydrophobicContact CD2-CE2 3.76Å; L1425-F1586 HydrophobicContact CD2-CG 3.35Å; L1425-F1586 HydrophobicContact CD2-CZ 4.05Å
1426N60.3Low53.2Low39 Ų3960 Ų6021%0.20933%0.334CS..EExtended strand (participates in β ladder)trans-92.8122.6175.7-65.7-0.1000109.4F1409 N1410 S1424 S1558F1409-N1426 WeakPolarHBondContact CA-O 3.33Å; N1410-N1426 HydrophobicContact CB-CB 4.36Å; N1410-N1426 PolarHBondContact N-O 2.89Å; N1410-N1426 PolarHBondContact O-N 3.31Å; S1424-N1426 PolarHBondContact OG-OD1 2.94Å; N1426-S1558 VanDerWaalsContact OD1-CB 3.27Å; N1426-S1558 WeakPolarHBondContact OD1-CB 3.42Å; N1426-S1558 PolarHBondContact OD1-OG 3.32Å
1427I58.3Low52.4Low0 Ų062.9 Ų62.90%036%0.356CS..EExtended strand (participates in β ladder)trans-115.1121.7-178.5-50.9176.8000108.2L1407 G1408 F1409 L1425 L1458 V1551 P1556 F1557 I1559 F1586L1407-I1427 HydrophobicContact CD2-CG2 4.41Å; G1408-I1427 WeakPolarHBondContact O-CA 3.46Å; F1409-I1427 HydrophobicContact CD1-CD1 4.42Å; F1409-I1427 HydrophobicContact CD1-CG1 3.92Å; F1409-I1427 HydrophobicContact CD1-CG2 4.31Å; F1409-I1427 HydrophobicContact CE1-CD1 4.06Å; F1409-I1427 HydrophobicContact CE1-CG1 3.97Å; F1409-I1427 HydrophobicContact CE1-CG2 3.91Å; F1409-I1427 HydrophobicContact CZ-CG2 4.35Å; L1425-I1427 HydrophobicContact CD2-CD1 4.17Å; L1425-I1427 HydrophobicContact CD2-CG1 4.28Å; L1425-I1427 HydrophobicContact CG-CG1 4.14Å; I1427-L1458 HydrophobicContact CD1-CD1 3.82Å; I1427-L1458 HydrophobicContact CG2-CD1 4.29Å; I1427-V1551 HydrophobicContact CG2-CG1 4.31Å; I1427-V1551 HydrophobicContact CG2-CG2 4.28Å; I1427-P1556 WeakPolarHBondContact O-CA 3.38Å; I1427-F1557 PolarHBondContact N-O 2.85Å; I1427-F1557 PolarHBondContact O-N 2.94Å; I1427-I1559 HydrophobicContact CD1-CD1 4.25Å; I1427-F1586 HydrophobicContact CD1-CE1 3.94Å; I1427-F1586 HydrophobicContact CD1-CZ 4.01Å
1428T55.1Low51.3Low54 Ų5462.3 Ų62.333%0.33135%0.345SS..EExtended strand (participates in β ladder)trans-125.9152.9-179.468.70000111.2L1407 G1408 P1556L1407-T1428 CarbonylContact C-O 3.59Å; L1407-T1428 VanDerWaalsContact CA-O 3.32Å; L1407-T1428 WeakPolarHBondContact CA-O 3.25Å; G1408-T1428 PolarHBondContact N-O 3.38Å; G1408-T1428 PolarHBondContact O-N 3.26Å; T1428-P1556 HydrophobicContact CG2-CB 3.51Å
1429C49.6Very low50.1Low16 Ų1657.6 Ų57.611%0.10833%0.333CS..EExtended strand (participates in β ladder)trans-93.8124.6170.4-160.70000108.7P1406 L1407 H1553P1406-C1429 CarbonylContact O-C 3.51Å; P1406-C1429 WeakPolarHBondContact O-CA 3.22Å; L1407-C1429 HydrophobicContact CD2-CB 4.38Å; C1429-H1553 HydrophobicContact CB-CB 4.46Å
1430V48.4Very low48.1Very low75 Ų7558.9 Ų58.946%0.45534%0.342SS..  trans-97.4105.2177.4-176.60000107.7P1406 S1432P1406-V1430 PolarHBondContact O-N 3.28Å; V1430-S1432 VanDerWaalsContact C-N 3.34Å; V1430-S1432 PolarHBondContact O-N 3.05Å; V1430-S1432 PolarHBondContact O-OG 3.16Å
1431D40.2Very low45.9Very low72 Ų7263 Ų6339%0.38537%0.365SS..  trans-6895.7170.5-72.5-23.8000107.8D1433 H1553D1431-D1433 PolarHBondContact O-N 2.6Å; D1431-H1553 IonicContact OD2-CD2 3.47Å; D1431-H1553 IonicContact OD2-CG 3.28Å; D1431-H1553 IonicContact OD2-ND1 2.65Å
1432S34.4Very low43.9Very low58 Ų5867 Ų6741%0.40639%0.389SS..  trans-83.792.9168.97.70000106.2I1404 V1430 P1434I1404-S1432 WeakPolarHBondContact CG2-OG 3.22Å; V1430-S1432 VanDerWaalsContact C-N 3.34Å; V1430-S1432 PolarHBondContact O-N 3.05Å; V1430-S1432 PolarHBondContact O-OG 3.16Å; S1432-P1434 WeakPolarHBondContact O-CD 3.26Å
1433D35.7Very low41.7Very low97 Ų9772.1 Ų72.152%0.51941%0.408SS..  trans-71.7110.4165.1-154.2-0.6000106.7D1431 D1435 S1436D1431-D1433 PolarHBondContact O-N 2.6Å; D1433-D1435 PolarHBondContact O-N 2.8Å; D1433-S1436 PolarHBondContact O-N 3.01Å
1434P35.8Very low39.6Very low80 Ų8083.1 Ų83.152%0.51945%0.451SS..THydrogen-bonded Turntrans-62.4-14.4-168.9-19.831.9000114I1404 S1432I1404-P1434 HydrophobicContact CD1-CG 4.48Å; S1432-P1434 WeakPolarHBondContact O-CD 3.26Å
1435D32.3Very low37.6Very low100 Ų10086.9 Ų86.954%0.53548%0.477SS..THydrogen-bonded Turntrans-92.5-9-175.3-69-28.9000114.3D1433 T1437D1433-D1435 PolarHBondContact O-N 2.8Å; D1435-T1437 PolarHBondContact O-N 2.83Å
1436S29.2Very low35.8Very low49 Ų4996 Ų9634%0.34352%0.52SS..  trans-85.396.1179.382.50000111.1D1433 I1438 Y1443D1433-S1436 PolarHBondContact O-N 3.01Å; S1436-I1438 PolarHBondContact O-N 2.81Å; S1436-Y1443 PolarHBondContact OG-OH 2.78Å
1437T28.9Very low34.3Very low146 Ų146101.3 Ų101.390%0.89655%0.548SS*.  trans-68.620.6168.741.60000113.7D1435D1435-T1437 PolarHBondContact O-N 2.83Å
1438I24.5Very low32.9Very low103 Ų103109.6 Ų109.653%0.52859%0.591SS.*SBendtrans-105125.1-177.8-55.2177.4000108.5S1436 V1442S1436-I1438 PolarHBondContact O-N 2.81Å; I1438-V1442 HydrophobicContact CG2-CB 3.81Å; I1438-V1442 HydrophobicContact CG2-CG1 4.41Å; I1438-V1442 HydrophobicContact CG2-CG2 3.76Å
1439T28.5Very low31.7Very low99 Ų99115.2 Ų115.261%0.60762%0.618SS**  trans-60.3154.7-178.744.90000112.2E1441 V1442T1439-E1441 PolarHBondContact O-N 2.83Å; T1439-V1442 PolarHBondContact O-N 2.86Å
1440P27.4Very low30.7Very low111 Ų111118.1 Ų118.172%0.72164%0.638SS**G310 helixtrans-62.1-8.2-164.5-21.532.7000116.2V1442P1440-V1442 VanDerWaalsContact C-N 3.28Å; P1440-V1442 PolarHBondContact O-N 2.75Å
1441E29.3Very low30.1Very low174 Ų174123.4 Ų123.481%0.81366%0.655SS**G310 helixtrans-75-13.9-177.1-68.9174.7170.800113.3T1439T1439-E1441 PolarHBondContact O-N 2.83Å
1442V27.8Very low30.1Very low90 Ų90129.3 Ų129.355%0.54567%0.674SS.*G310 helixtrans-96.4-1-176.6-171.30000113.9I1438 T1439 P1440 Y1444I1438-V1442 HydrophobicContact CG2-CB 3.81Å; I1438-V1442 HydrophobicContact CG2-CG1 4.41Å; I1438-V1442 HydrophobicContact CG2-CG2 3.76Å; T1439-V1442 PolarHBondContact O-N 2.86Å; P1440-V1442 VanDerWaalsContact C-N 3.28Å; P1440-V1442 PolarHBondContact O-N 2.75Å; V1442-Y1444 PolarHBondContact O-N 2.83Å
1443Y24.5Very low30.5Very low136 Ų136129.6 Ų129.653%0.53367%0.674SS.*THydrogen-bonded Turntrans-71.57.2-179.1-91.7-85000115.9S1436 S1445S1436-Y1443 PolarHBondContact OG-OH 2.78Å; Y1443-S1445 VanDerWaalsContact C-N 3.28Å; Y1443-S1445 PolarHBondContact O-N 2.89Å
1444Y26.9Very low31.3Very low230 Ų230127.2 Ų127.290%0.90266%0.663SS**THydrogen-bonded Turntrans-84.318.4175.8-84.6-77.1000115.2V1442V1442-Y1444 PolarHBondContact O-N 2.83Å
1445S25.9Very low32.3Very low94 Ų94125.1 Ų125.166%0.65765%0.649SS**  trans-107.6118175.459.40000112.6Y1443 N1447Y1443-S1445 VanDerWaalsContact C-N 3.28Å; Y1443-S1445 PolarHBondContact O-N 2.89Å; S1445-N1447 VanDerWaalsContact C-N 3.35Å; S1445-N1447 PolarHBondContact O-N 3.41Å
1446Q29.2Very low33.5Very low193 Ų193121.1 Ų121.190%0.90263%0.626SS**  trans-72.515.6-160.3-85.8-179.6-26.500118.5
1447N29.2Very low35.5Very low150 Ų150120 Ų12080%0.80262%0.616SS**  trans-127.334-161.4-81.5-15.1000119S1445S1445-N1447 VanDerWaalsContact C-N 3.35Å; S1445-N1447 PolarHBondContact O-N 3.41Å
1448L28.8Very low37.3Very low174 Ų174113.1 Ų113.191%0.91157%0.573SS**  trans-121.6106.5161.5-102.290.4000112.3
1449L28.3Very low39.6Very low172 Ų172109.1 Ų109.190%0.90156%0.555SS**  trans-85.6108.8176.1-87142.8000110.6
1450C30.1Very low41.9Very low78 Ų78110 Ų11053%0.52756%0.556SS.*  trans-75125.3171.5-163.60000110.3Y1452C1450-Y1452 PolarHBondContact O-N 2.88Å
1451K36.1Very low44.2Very low185 Ų185105.8 Ų105.880%0.80453%0.527SS*.SBendtrans-73.6-11.9-165.3-84.2-177.3176.8176.80116.4
1452Y39.4Very low46.7Very low197 Ų197104.3 Ų104.377%0.77351%0.514SS*.SBendtrans-141.997.8178.3-62.8-75.6000110.8C1450 V1454C1450-Y1452 PolarHBondContact O-N 2.88Å; Y1452-V1454 PolarHBondContact O-N 3.21Å
1453P43.5Very low49.2Very low63 Ų63100.1 Ų100.141%0.40949%0.488SS..  trans-62.8120.4-178.122-31.1000111.7T1455 H1553P1453-T1455 PolarHBondContact O-N 3.25Å; P1453-H1553 VanDerWaalsContact CB-CE1 3.46Å; P1453-H1553 WeakPolarHBondContact CB-CE1 3.38Å
1454V50.9Low52Low48 Ų4896.2 Ų96.229%0.29147%0.473SS..  trans-69124.3171.3-173.90000108.8Y1452 F1456 R1592Y1452-V1454 PolarHBondContact O-N 3.21Å; V1454-F1456 HydrophobicContact CB-CE2 4.41Å; V1454-F1456 HydrophobicContact CG1-CD2 4.25Å; V1454-F1456 HydrophobicContact CG1-CE2 3.49Å; V1454-F1456 VanDerWaalsContact CG1-CE2 3.49Å; V1454-F1456 HydrophobicContact CG1-CZ 3.66Å; V1454-R1592 HydrophobicContact CG1-CG 4.47Å
1455T57.2Low54.2Low36 Ų3685.2 Ų85.222%0.22143%0.43CS..EExtended strand (participates in β ladder)trans-116.2130.3-178.3-50.50000111.3P1453 Y1550 T1552 I1593P1453-T1455 PolarHBondContact O-N 3.25Å; T1455-Y1550 HydrophobicContact CG2-CD1 4.49Å; T1455-T1552 HydrophobicContact CG2-CG2 3.63Å; T1455-T1552 VanDerWaalsContact OG1-CG2 3.25Å; T1455-T1552 WeakPolarHBondContact OG1-CG2 3.28Å; T1455-I1593 HydrophobicContact CG2-CD1 3.94Å; T1455-I1593 PolarHBondContact O-N 3.02Å
1456F57.7Low56.6Low16 Ų1681.8 Ų81.87%0.0741%0.405CS..EExtended strand (participates in β ladder)trans-114.5131.1176.3-64.1-83.8000110.9P1406 V1454 Y1550 V1551 M1590 N1591 R1592P1406-F1456 HydrophobicContact CG-CZ 4.31Å; V1454-F1456 HydrophobicContact CB-CE2 4.41Å; V1454-F1456 HydrophobicContact CG1-CD2 4.25Å; V1454-F1456 HydrophobicContact CG1-CE2 3.49Å; V1454-F1456 VanDerWaalsContact CG1-CE2 3.49Å; V1454-F1456 HydrophobicContact CG1-CZ 3.66Å; F1456-Y1550 CarbonylContact O-C 3.52Å; F1456-Y1550 VanDerWaalsContact O-CA 3.32Å; F1456-Y1550 WeakPolarHBondContact O-CA 3.44Å; F1456-V1551 PolarHBondContact N-O 3.14Å; F1456-V1551 PolarHBondContact O-N 3.27Å; F1456-M1590 HydrophobicContact CB-CG 4.24Å; F1456-M1590 HydrophobicContact CB-SD 4.42Å; F1456-M1590 HydrophobicContact CD1-CE 3.96Å; F1456-M1590 HydrophobicContact CD1-CG 3.97Å; F1456-M1590 HydrophobicContact CD1-SD 3.78Å; F1456-M1590 HydrophobicContact CE1-CE 3.94Å; F1456-M1590 HydrophobicContact CE1-SD 4.28Å; F1456-M1590 HydrophobicContact CG-CG 4.44Å; F1456-M1590 HydrophobicContact CG-SD 4.19Å; F1456-N1591 CarbonylContact C-O 3.54Å; F1456-N1591 WeakPolarHBondContact CA-O 3.46Å; F1456-R1592 HydrophobicContact CD1-CB 3.97Å; F1456-R1592 HydrophobicContact CD1-CG 4.32Å; F1456-R1592 HydrophobicContact CE1-CB 3.81Å; F1456-R1592 HydrophobicContact CE1-CG 3.93Å
1457E71.8Confident58.5Low25 Ų2574.1 Ų74.112%0.11738%0.375CS..EExtended strand (participates in β ladder)trans-89.8125.5168.1-177.1178.8172.100109.2K1548 A1549 Y1550 M1590 N1591 I1593E1457-K1548 VanDerWaalsContact OE1-CD 3.29Å; E1457-K1548 WeakPolarHBondContact OE1-CD 3.33Å; E1457-K1548 WeakPolarHBondContact OE1-CE 3.45Å; E1457-K1548 IonicContact OE1-NZ 3.11Å; E1457-K1548 PolarHBondContact OE1-NZ 2.92Å; E1457-A1549 CarbonylContact C-O 3.41Å; E1457-A1549 WeakPolarHBondContact CA-O 3.3Å; E1457-Y1550 HydrophobicContact CB-CD1 3.9Å; E1457-Y1550 HydrophobicContact CB-CE1 3.62Å; E1457-Y1550 HydrophobicContact CG-CD1 4.18Å; E1457-Y1550 HydrophobicContact CG-CE1 3.55Å; E1457-M1590 CarbonylContact O-C 3.59Å; E1457-M1590 WeakPolarHBondContact O-CA 3.47Å; E1457-N1591 HydrophobicContact CB-CB 4.17Å; E1457-N1591 PolarHBondContact N-O 3.42Å; E1457-N1591 PolarHBondContact O-N 3.32Å; E1457-I1593 HydrophobicContact CB-CD1 4.16Å; E1457-I1593 HydrophobicContact CB-CG1 4.27Å
1458L65.2Low59.7Low1 Ų168.6 Ų68.61%0.00535%0.348CS..EExtended strand (participates in β ladder)trans-108.1128.6173.5-55.3176.8000109.4I1427 M1461 K1548 A1549 V1551 T1589 M1590I1427-L1458 HydrophobicContact CD1-CD1 3.82Å; I1427-L1458 HydrophobicContact CG2-CD1 4.29Å; L1458-M1461 HydrophobicContact CB-SD 4.17Å; L1458-K1548 CarbonylContact O-C 3.55Å; L1458-K1548 VanDerWaalsContact O-CA 3.29Å; L1458-K1548 WeakPolarHBondContact O-CA 3.09Å; L1458-A1549 HydrophobicContact CB-CB 4.31Å; L1458-A1549 PolarHBondContact N-O 3.21Å; L1458-A1549 PolarHBondContact O-N 3.04Å; L1458-V1551 HydrophobicContact CD1-CG2 3.63Å; L1458-V1551 HydrophobicContact CG-CG2 4.27Å; L1458-T1589 CarbonylContact C-O 3.48Å; L1458-T1589 WeakPolarHBondContact CA-O 3.24Å; L1458-M1590 HydrophobicContact CD2-CB 3.84Å; L1458-M1590 HydrophobicContact CD2-CG 3.72Å; L1458-M1590 HydrophobicContact CD2-SD 4.38Å
1459S74.8Confident60.3Low20 Ų2068.2 Ų68.214%0.1434%0.339CS..EExtended strand (participates in β ladder)trans-132.6171.2175.948.50000112.1M1461 T1589S1459-M1461 VanDerWaalsContact C-N 3.27Å; S1459-M1461 PolarHBondContact O-N 2.92Å; S1459-T1589 WeakPolarHBondContact CA-OG1 3.34Å; S1459-T1589 WeakPolarHBondContact CB-OG1 3.46Å; S1459-T1589 PolarHBondContact N-O 3.07Å; S1459-T1589 PolarHBondContact O-N 2.8Å; S1459-T1589 PolarHBondContact O-OG1 2.86Å; S1459-T1589 PolarHBondContact OG-OG1 3.33Å
1460N76.1Confident60.6Low117 Ų11764.4 Ų64.463%0.62632%0.319SS*.EExtended strand (participates in β ladder)trans53.539.4-180-66-18.3000114.4T1589N1460-T1589 HydrophobicContact CB-CG2 4.33Å
1461M75.9Confident60.4Low22 Ų2270.9 Ų70.911%0.10833%0.334CS..EExtended strand (participates in β ladder)trans-71.7129-175.4-63.5175.2-72.700111.2L1458 S1459 I1546 A1549 I1559 W1561 F1586 E1587 C1588L1458-M1461 HydrophobicContact CB-SD 4.17Å; S1459-M1461 VanDerWaalsContact C-N 3.27Å; S1459-M1461 PolarHBondContact O-N 2.92Å; M1461-I1546 HydrophobicContact CE-CG2 4.08Å; M1461-A1549 HydrophobicContact CE-CB 4.14Å; M1461-A1549 HydrophobicContact SD-CB 4.07Å; M1461-I1559 HydrophobicContact CE-CD1 4.32Å; M1461-I1559 HydrophobicContact SD-CD1 3.35Å; M1461-I1559 WeakPolarHBondContact SD-CD1 3.46Å; M1461-W1561 HydrophobicContact CB-CZ2 4.38Å; M1461-W1561 WeakPolarHBondContact O-CH2 3.24Å; M1461-F1586 HydrophobicContact CB-CE2 3.92Å; M1461-F1586 HydrophobicContact CB-CZ 4.06Å; M1461-F1586 HydrophobicContact CG-CE2 4.26Å; M1461-F1586 HydrophobicContact CG-CZ 3.87Å; M1461-F1586 HydrophobicContact SD-CZ 4.34Å; M1461-E1587 CarbonylContact C-O 3.54Å; M1461-E1587 WeakPolarHBondContact CA-O 3.42Å; M1461-C1588 HydrophobicContact CG-CB 3.93Å
1462R82Confident59.9Low144 Ų14469.2 Ų69.254%0.54333%0.333SS..EExtended strand (participates in β ladder)trans-139.1140.7178.4-69.2162.3168.3-160.46.3110.5Y1464 F1586 E1587R1462-Y1464 HydrophobicContact CB-CD2 4.47Å; R1462-Y1464 HydrophobicContact CB-CE2 3.49Å; R1462-Y1464 VanDerWaalsContact CB-CE2 3.49Å; R1462-Y1464 VanDerWaalsContact CD-OH 3.24Å; R1462-Y1464 WeakPolarHBondContact CD-OH 3.32Å; R1462-Y1464 HydrophobicContact CG-CE2 4.45Å; R1462-F1586 WeakPolarHBondContact O-CA 3.19Å; R1462-F1586 WeakPolarHBondContact O-CD2 3.31Å; R1462-E1587 PolarHBondContact N-O 3.29Å; R1462-E1587 PolarHBondContact O-N 2.89Å
1463F79.3Confident59.2Low2 Ų264.9 Ų64.91%0.00933%0.332CS..EExtended strand (participates in β ladder)trans-131.7130.7177.7-173.1-109000112.1L1411 F1423 I1465 G1539 W1561 F1563 R1585 F1586L1411-F1463 HydrophobicContact CD1-CE2 4.09Å; L1411-F1463 HydrophobicContact CD1-CZ 3.81Å; L1411-F1463 HydrophobicContact CD2-CZ 4.05Å; F1423-F1463 HydrophobicContact CB-CE1 3.82Å; F1423-F1463 HydrophobicContact CB-CZ 4.43Å; F1423-F1463 AromaticContact CD1-CE1 3.88Å; F1423-F1463 HydrophobicContact CD1-CE1 3.88Å; F1423-F1463 AromaticContact CD1-CZ 3.98Å; F1423-F1463 HydrophobicContact CD1-CZ 3.98Å; F1423-F1463 AromaticContact CG-CE1 3.88Å; F1423-F1463 HydrophobicContact CG-CE1 3.88Å; F1423-F1463 HydrophobicContact CG-CZ 4.41Å; F1463-I1465 HydrophobicContact CE1-CG1 4.37Å; F1463-G1539 PolarHBondContact O-N 2.88Å; F1463-W1561 HydrophobicContact CB-CD2 3.49Å; F1463-W1561 VanDerWaalsContact CB-CD2 3.49Å; F1463-W1561 VanDerWaalsContact CB-CE2 3.47Å; F1463-W1561 HydrophobicContact CB-CE3 3.87Å; F1463-W1561 HydrophobicContact CB-CG 3.89Å; F1463-W1561 HydrophobicContact CB-CH2 4.2Å; F1463-W1561 HydrophobicContact CB-CZ2 3.85Å; F1463-W1561 HydrophobicContact CB-CZ3 4.2Å; F1463-W1561 HydrophobicContact CD1-CB 4.08Å; F1463-W1561 HydrophobicContact CD1-CD2 4.44Å; F1463-W1561 HydrophobicContact CD1-CG 4.01Å; F1463-W1561 HydrophobicContact CG-CD2 4.31Å; F1463-W1561 HydrophobicContact CG-CG 4.2Å; F1463-F1563 AromaticContact CD1-CE2 3.7Å; F1463-F1563 HydrophobicContact CD1-CE2 3.7Å; F1463-F1563 AromaticContact CD1-CZ 3.58Å; F1463-F1563 HydrophobicContact CD1-CZ 3.58Å; F1463-F1563 AromaticContact CE1-CE2 3.71Å; F1463-F1563 HydrophobicContact CE1-CE2 3.71Å; F1463-F1563 AromaticContact CE1-CZ 3.76Å; F1463-F1563 HydrophobicContact CE1-CZ 3.76Å; F1463-R1585 CarbonylContact C-O 3.6Å; F1463-R1585 VanDerWaalsContact CA-O 3.31Å; F1463-R1585 WeakPolarHBondContact CA-O 3.34Å; F1463-R1585 WeakPolarHBondContact CD2-O 3.4Å; F1463-F1586 HydrophobicContact CB-CD2 4.5Å; F1463-F1586 HydrophobicContact CD2-CB 4.12Å
1464Y82.7Confident58.3Low53 Ų5372.8 Ų72.821%0.20835%0.353CS..EExtended strand (participates in β ladder)trans-134.8152.5-176.5-48.8-92.2000111.1R1462 L1537 T1538 G1584 R1585R1462-Y1464 HydrophobicContact CB-CD2 4.47Å; R1462-Y1464 HydrophobicContact CB-CE2 3.49Å; R1462-Y1464 VanDerWaalsContact CB-CE2 3.49Å; R1462-Y1464 VanDerWaalsContact CD-OH 3.24Å; R1462-Y1464 WeakPolarHBondContact CD-OH 3.32Å; R1462-Y1464 HydrophobicContact CG-CE2 4.45Å; Y1464-L1537 CarbonylContact C-O 3.49Å; Y1464-L1537 VanDerWaalsContact CA-O 3.31Å; Y1464-L1537 WeakPolarHBondContact CA-O 3.27Å; Y1464-T1538 HydrophobicContact CD1-CG2 3.49Å; Y1464-T1538 VanDerWaalsContact CD1-CG2 3.49Å; Y1464-T1538 HydrophobicContact CE1-CG2 3.53Å; Y1464-G1584 CarbonylContact O-C 3.57Å; Y1464-G1584 WeakPolarHBondContact O-CA 3.29Å; Y1464-R1585 PolarHBondContact N-O 3.48Å; Y1464-R1585 PolarHBondContact O-N 3.22Å
1465I74.5Confident56.9Low0 Ų082.2 Ų82.20%038%0.384CS..EExtended strand (participates in β ladder)trans-109.8118.9169.8-54.3175.1000107.9F1423 F1463 S1536 L1537 F1563 Y1568 F1571 P1582 I1583 I1609F1423-I1465 HydrophobicContact CD2-CD1 4.42Å; F1423-I1465 HydrophobicContact CE1-CD1 4.3Å; F1423-I1465 HydrophobicContact CE2-CD1 3.72Å; F1423-I1465 HydrophobicContact CZ-CD1 3.65Å; F1463-I1465 HydrophobicContact CE1-CG1 4.37Å; I1465-S1536 CarbonylContact O-C 3.54Å; I1465-S1536 VanDerWaalsContact O-CA 3.32Å; I1465-S1536 WeakPolarHBondContact O-CA 3.29Å; I1465-L1537 HydrophobicContact CB-CB 4.34Å; I1465-L1537 PolarHBondContact N-O 2.77Å; I1465-L1537 PolarHBondContact O-N 2.77Å; I1465-F1563 HydrophobicContact CD1-CD1 3.98Å; I1465-F1563 HydrophobicContact CD1-CD2 4.24Å; I1465-F1563 HydrophobicContact CD1-CE1 3.67Å; I1465-F1563 HydrophobicContact CD1-CE2 3.99Å; I1465-F1563 HydrophobicContact CD1-CG 4.22Å; I1465-F1563 HydrophobicContact CD1-CZ 3.68Å; I1465-F1563 HydrophobicContact CG1-CE1 3.78Å; I1465-F1563 HydrophobicContact CG1-CE2 4.36Å; I1465-F1563 HydrophobicContact CG1-CZ 3.67Å; I1465-Y1568 HydrophobicContact CD1-CD2 3.81Å; I1465-Y1568 HydrophobicContact CD1-CE2 3.88Å; I1465-F1571 HydrophobicContact CB-CE1 4.39Å; I1465-F1571 HydrophobicContact CG2-CD1 4.06Å; I1465-F1571 HydrophobicContact CG2-CE1 3.43Å; I1465-F1571 VanDerWaalsContact CG2-CE1 3.43Å; I1465-F1571 HydrophobicContact CG2-CZ 4.13Å; I1465-P1582 HydrophobicContact CG2-CB 4.34Å; I1465-I1583 WeakPolarHBondContact CA-O 3.46Å; I1465-I1609 HydrophobicContact CG1-CD1 4.37Å; I1465-I1609 HydrophobicContact CG2-CD1 3.89Å
1466C76.8Confident55.4Low21 Ų2188.1 Ų88.114%0.14241%0.413CS..EExtended strand (participates in β ladder)trans-119.9145.6-176.1-60.20000110.6P1582 I1583C1466-P1582 CarbonylContact O-C 3.42Å; C1466-P1582 WeakPolarHBondContact O-CA 3.32Å; C1466-I1583 PolarHBondContact N-O 3.06Å; C1466-I1583 PolarHBondContact O-N 3.12Å
1467A68.7Low53.8Low32 Ų3291.4 Ų91.426%0.26444%0.443SS..EExtended strand (participates in β ladder)trans-87.4121.9172.900000108.9I1534 F1571 C1580A1467-I1534 HydrophobicContact CB-CB 4.32Å; A1467-I1534 HydrophobicContact CB-CG2 3.4Å; A1467-F1571 HydrophobicContact CB-CE2 4.18Å; A1467-F1571 HydrophobicContact CB-CZ 3.92Å; A1467-C1580 HydrophobicContact CB-CB 3.9Å
1468S53.4Low51.5Low35 Ų3598.2 Ų98.225%0.24548%0.479CS..EExtended strand (participates in β ladder)trans-109.1134.6172.781.90000110.6L1470 C1580 Q1581 I1583S1468-L1470 PolarHBondContact O-N 3.14Å; S1468-C1580 CarbonylContact O-C 3.53Å; S1468-C1580 WeakPolarHBondContact O-CA 3.29Å; S1468-Q1581 PolarHBondContact N-O 3.06Å; S1468-Q1581 PolarHBondContact O-N 3.33Å; S1468-Q1581 PolarHBondContact OG-O 2.9Å; S1468-I1583 VanDerWaalsContact CB-CD1 3.48Å; S1468-I1583 WeakPolarHBondContact OG-CD1 3.49Å
1469K42.8Very low49.5Very low166 Ų166102.7 Ų102.772%0.72251%0.511SS*.EExtended strand (participates in β ladder)trans-68.4125.9168-75.7-177.8178178.10108.3Y1471K1469-Y1471 PolarHBondContact O-N 2.87Å
1470L33.7Very low47Very low92 Ų92107.1 Ų107.148%0.48254%0.542SS..  trans-65.599-175.5-126.9151.8000109.8S1468 L1472 Q1581S1468-L1470 PolarHBondContact O-N 3.14Å; L1470-L1472 VanDerWaalsContact C-N 3.33Å; L1470-L1472 HydrophobicContact CD2-CD2 4.46Å; L1470-L1472 HydrophobicContact CD2-CG 4.4Å; L1470-L1472 PolarHBondContact O-N 3.42Å; L1470-Q1581 HydrophobicContact CD1-CB 3.93Å; L1470-Q1581 HydrophobicContact CG-CB 4.16Å
1471Y26.6Very low44.5Very low214 Ų214106.3 Ų106.384%0.83955%0.546SS*.  trans-68.998.1156.6-85.8-82.6000106.6K1469 S1473K1469-Y1471 PolarHBondContact O-N 2.87Å; Y1471-S1473 PolarHBondContact O-N 3.38Å; Y1471-S1473 PolarHBondContact O-OG 3.48Å
1472L25.2Very low42Very low150 Ų150115.5 Ų115.579%0.78559%0.585SS**  trans-55.181.6173.5-88.5159.7000110.9L1470 R1474L1470-L1472 VanDerWaalsContact C-N 3.33Å; L1470-L1472 HydrophobicContact CD2-CD2 4.46Å; L1470-L1472 HydrophobicContact CD2-CG 4.4Å; L1470-L1472 PolarHBondContact O-N 3.42Å; L1472-R1474 PolarHBondContact O-N 3.09Å
1473S24.6Very low39.2Very low106 Ų106113.4 Ų113.474%0.74159%0.593SS**  trans-9177.7170-51.50000106.3Y1471 R1475Y1471-S1473 PolarHBondContact O-N 3.38Å; Y1471-S1473 PolarHBondContact O-OG 3.48Å; S1473-R1475 PolarHBondContact O-N 3.33Å
1474R23.8Very low36.6Very low229 Ų229121.6 Ų121.686%0.86464%0.637SS**  trans-55.7101.8170.3-93.6-176.3178.1-177.7-0.4108.1L1472 L1476L1472-R1474 PolarHBondContact O-N 3.09Å; R1474-L1476 PolarHBondContact O-N 3.17Å
1475R23.1Very low33.9Very low245 Ų245122.8 Ų122.893%0.92567%0.665SS**  trans-57.5107.7157.7-98.6-175.3178.3-168.8-0.3106.4S1473 A1477S1473-R1475 PolarHBondContact O-N 3.33Å; R1475-A1477 PolarHBondContact O-N 3.17Å
1476L24Very low31.4Very low160 Ų160131.4 Ų131.484%0.83871%0.705SS**  trans-63.486.4159.8-78.6157.7000106.6R1474 L1478R1474-L1476 PolarHBondContact O-N 3.17Å; L1476-L1478 PolarHBondContact O-N 2.94Å
1477A24.4Very low29Very low85 Ų85138 Ų13870%0.70273%0.733SS**  trans-62.998.5158.200000105.9R1475 S1479R1475-A1477 PolarHBondContact O-N 3.17Å; A1477-S1479 PolarHBondContact O-N 3.18Å
1478L24.5Very low26.9Very low168 Ų168144.3 Ų144.388%0.8876%0.758SS**  trans-63.674.8160.8-77.9153.6000106.8L1476 S1480L1476-L1478 PolarHBondContact O-N 2.94Å; L1478-S1480 VanDerWaalsContact C-N 3.33Å; L1478-S1480 PolarHBondContact O-N 2.86Å
1479S23.6Very low25.4Very low95 Ų95149.9 Ų149.966%0.66478%0.784SS**  trans-73.697.5168.556.90000107.1A1477 S1481A1477-S1479 PolarHBondContact O-N 3.18Å; S1479-S1481 PolarHBondContact O-N 3.4Å
1480S22Very low24.6Very low114 Ų114153.2 Ų153.280%0.79779%0.794SS**  trans-45.1103.315650.70000110.5L1478L1478-S1480 VanDerWaalsContact C-N 3.33Å; L1478-S1480 PolarHBondContact O-N 2.86Å
1481S24.1Very low24Very low100 Ų100155.6 Ų155.670%0.69981%0.807SS**  trans-141.776.7157.557.70000107.6S1479 S1483S1479-S1481 PolarHBondContact O-N 3.4Å; S1481-S1483 PolarHBondContact O-N 3.39Å
1482F21.5Very low23.9Very low215 Ų215156.5 Ų156.594%0.94381%0.809SS**  trans-59.8111.9150.3-90.3-90.3000107.6
1483S24.7Very low23.7Very low100 Ų100157.4 Ų157.470%0.69981%0.809SS**  trans-172.9108146.455.40000110.7S1481S1481-S1483 PolarHBondContact O-N 3.39Å
1484N23.5Very low23.6Very low174 Ų174159.4 Ų159.493%0.9381%0.81SS**  trans33.1119.2137.4-64.8-13.5000119.3
1485G26.8Very low23.5Very low78 Ų78158.5 Ų158.580%0.80481%0.813SS**  trans172.580.9161.100000112.5
1486Q22.6Very low23.4Very low181 Ų181151.7 Ų151.785%0.84680%0.803SS**  trans-53.2135.4161-67.8172.9-29.700109.6
1487H26.4Very low23.4Very low158 Ų158154.9 Ų154.973%0.73180%0.804SS**  174.7106127.9-97.8-76.5000111.9
1488Q23.8Very low23.4Very low165 Ų165156.6 Ų156.677%0.77181%0.81SS**  44.4104.1129.6-68.2172.8-21.300120.4
1489L22Very low23.3Very low152 Ų152155.8 Ų155.880%0.79680%0.802SS**  15.3124.4124.4-74.7155.6000117.6
1490Y25.8Very low23.4Very low237 Ų237158.3 Ų158.393%0.92981%0.813SS**  trans-153.4115.3134.2-105.1-76.3000112.6
1491N21.5Very low23.4Very low142 Ų142157.1 Ų157.176%0.75981%0.805SS**  trans-69.1146.6160.5-87.7-38000111.2
1492R24.3Very low23.5Very low233 Ų233159.2 Ų159.288%0.87981%0.805SS**  trans180103139.1-106.1175.2-179.9-174.81.4109.1
1493Q21.5Very low23.6Very low168 Ų168156 Ų15679%0.78579%0.793SS**  61.2112.387.4-80.8-163.6-17.500116.3
1494L21.1Very low23.6Very low148 Ų148156.9 Ų156.978%0.77579%0.79SS**  trans55.3119.7131-70.8153.8000118
1495K23.5Very low23.6Very low211 Ų211153.3 Ų153.392%0.91777%0.771SS**  -167152118-106.8167.8-175.1-177.10113.4
1496S21.2Very low23.6Very low102 Ų102159.5 Ų159.571%0.71377%0.77SS**  trans-106.9153.3-160.252.70000112.7
1497R22.5Very low23.6Very low227 Ų227158.4 Ų158.486%0.85777%0.765SS**  trans63.8126.5138.8-125.6177.5-170-170.52.7119.5
1498S25Very low23.5Very low120 Ų120157.8 Ų157.884%0.83977%0.765SS**  trans-156.8134.9142.254.50000112.1
1499H21.8Very low23.4Very low152 Ų152154.6 Ų154.670%0.70477%0.767SS**  trans-60158.1178.9-82-109.2000116
1500V26.5Very low23.6Very low148 Ų148151.2 Ų151.290%0.89777%0.769SS**  trans-147.4139.1133179.80000109.8
1501S22.7Very low23.4Very low89 Ų89146.7 Ų146.762%0.62276%0.761SS**  trans-122.7157.5-179.652.10000110.8
1502M24.2Very low23.4Very low144 Ų144148.9 Ų148.971%0.70976%0.764SS**  trans153.1114.8146.5-87.2-43-147.400109.8
1503E24Very low23.5Very low147 Ų147144 Ų14469%0.68776%0.76SS**  84140.8103.7-85175.8173.800112.8
1504D25.7Very low23.4Very low118 Ų118145.2 Ų145.263%0.63176%0.763SS**  cis-172.8153.93.2-129.2-10.6000111.2
1505N24Very low23.5Very low99 Ų99144.9 Ų144.953%0.52976%0.762SS.*  trans74.8121.7135.9-77.7-39.8000126.4
1506R25.5Very low23.5Very low208 Ų208142.6 Ų142.679%0.78576%0.76SS**  82.6147.9127-70.5173.8-164.1-169.73119.6
1507Q22.5Very low23.6Very low158 Ų158144 Ų14474%0.73876%0.763SS**  cis175.3155.1-19.7-1451761000105.8
1508I23.9Very low23.6Very low145 Ų145141.5 Ų141.574%0.74476%0.761SS**  trans91.5100.3152.9-54.1164.7000119.5
1509A21.9Very low23.6Very low99 Ų99143.6 Ų143.682%0.81876%0.758SS**  45.2125.5120.500000122.3
1510G26.2Very low23.7Very low81 Ų81143 Ų14384%0.83577%0.765SS**  trans-157.995.8156.800000109.8
1511D22.4Very low23.6Very low141 Ų141139.2 Ų139.275%0.75476%0.756SS**  trans-75.7165.7173.2-86.4-40.9000112.6
1512F22.2Very low23.7Very low189 Ų189140.3 Ų140.383%0.82976%0.764SS**  trans84128.8163.2-64.1-79.3000116.1
1513T25Very low23.8Very low129 Ų129139.9 Ų139.979%0.79177%0.77SS**  cis-157.8147.733.233.10000111.2
1514K20.5Very low23.8Very low194 Ų194140.2 Ų140.284%0.84378%0.776SS**  trans-64.1135163.2-81.5171.5167.4173.40111.2
1515N22.9Very low23.8Very low141 Ų141144.1 Ų144.175%0.75479%0.787SS**  157.7106.1125.9-80.7-14.3000108.8
1516D23.9Very low23.9Very low163 Ų163147.2 Ų147.287%0.87280%0.803SS**  trans-169.9103.1130.6-90.9-21.1000108H1518D1516-H1518 PolarHBondContact O-N 2.85Å
1517V22.4Very low23.8Very low131 Ų131145.9 Ų145.979%0.79481%0.805SS**  trans-77.8109.5175.41730000106.7
1518H23.6Very low24Very low176 Ų176146.2 Ų146.282%0.81581%0.812SS**  trans-129.8105.6158.7-99.9-63.2000110.4D1516 T1520D1516-H1518 PolarHBondContact O-N 2.85Å; H1518-T1520 PolarHBondContact O-N 3.27Å
1519E23.5Very low24.1Very low163 Ų163144.6 Ų144.676%0.76281%0.809SS**  trans-12.8108.6159.9-68.2168.5147.900116.3G1521E1519-G1521 PolarHBondContact O-N 2.82Å; E1519-G1521 VanDerWaalsContact O-N 3.13Å
1520T24.6Very low24.4Very low139 Ų139147 Ų14785%0.85381%0.807SS**  16.881.5126.956.40000116.8H1518H1518-T1520 PolarHBondContact O-N 3.27Å
1521G24.6Very low24.3Very low69 Ų69150.3 Ų150.371%0.71181%0.806SS**  trans-82.1118.9155.800000110.1E1519 T1523E1519-G1521 PolarHBondContact O-N 2.82Å; E1519-G1521 VanDerWaalsContact O-N 3.13Å; G1521-T1523 PolarHBondContact O-N 2.6Å
1522S24.1Very low24.7Very low113 Ų113151.1 Ų151.179%0.7981%0.805SS**  trans-49.8122.9-177.7540000114.6D1524S1522-D1524 PolarHBondContact O-N 2.94Å
1523T25.6Very low25.5Very low135 Ų135144.8 Ų144.883%0.82878%0.784SS**  trans-83.986.6169.8490000110.6G1521G1521-T1523 PolarHBondContact O-N 2.6Å
1524D25.4Very low26.3Very low154 Ų154141.6 Ų141.682%0.82476%0.762SS**  trans-125.966.1165.1-88.7-25000109.6S1522S1522-D1524 PolarHBondContact O-N 2.94Å
1525K25.2Very low28.1Very low199 Ų199139.4 Ų139.487%0.86575%0.754SS**  trans-145.584.9165.7-74.3-167179-177.50109.1
1526L25.6Very low30.4Very low164 Ų164136.1 Ų136.186%0.85974%0.742SS**  trans-174.171.6156.1-101.5164.1000109.8
1527H24.7Very low33Very low180 Ų180129.4 Ų129.483%0.83371%0.706SS**  trans-151.752158.5-87.9-48.3000111T1529H1527-T1529 VanDerWaalsContact C-N 3.31Å; H1527-T1529 PolarHBondContact O-N 2.82Å
1528D25.3Very low35.7Very low166 Ų166127.5 Ų127.589%0.88870%0.695SS**  trans-76.590.6161.2-76.6-25.7000108I1530D1528-I1530 PolarHBondContact O-N 2.8Å
1529T26.2Very low38.2Very low110 Ų110119.6 Ų119.668%0.67566%0.661SS**  trans-74.3106.6171.6290000108.6H1527 N1531H1527-T1529 VanDerWaalsContact C-N 3.31Å; H1527-T1529 PolarHBondContact O-N 2.82Å; T1529-N1531 VanDerWaalsContact C-N 3.29Å; T1529-N1531 PolarHBondContact O-N 2.87Å
1530I27.8Very low40.9Very low150 Ų150115.7 Ų115.777%0.76965%0.645SS**  trans-67.887.2173.9-58.2170.8000108.4D1528D1528-I1530 PolarHBondContact O-N 2.8Å
1531N25.2Very low43.1Very low151 Ų151110 Ų11081%0.80761%0.61SS**  trans-10351.8171.2-90-15.6000110.4T1529 S1533T1529-N1531 VanDerWaalsContact C-N 3.29Å; T1529-N1531 PolarHBondContact O-N 2.87Å; N1531-S1533 PolarHBondContact O-N 3.09Å; N1531-S1533 VanDerWaalsContact O-N 3.08Å
1532E30.5Very low45Very low157 Ų157111 Ų11173%0.73460%0.598SS**  trans-74101.1170.9-76.1-172.6170.500109.7I1534E1532-I1534 PolarHBondContact O-N 3.01Å
1533S38.4Very low47Very low57 Ų57108.1 Ų108.140%0.39957%0.574SS.*  trans-55.7124.3172.356.80000110.9R735 N1531 E1535R735-S1533 PolarHBondContact NH1-OG 3.25Å; N1531-S1533 PolarHBondContact O-N 3.09Å; N1531-S1533 VanDerWaalsContact O-N 3.08Å; S1533-E1535 PolarHBondContact O-N 3.12Å
1534I43Very low48.9Very low62 Ų62107.4 Ų107.432%0.31857%0.565SS.*  trans-64.6102.8-177.9-53167.7000109.8A1467 E1532 F1571 L1574 S1578A1467-I1534 HydrophobicContact CB-CB 4.32Å; A1467-I1534 HydrophobicContact CB-CG2 3.4Å; E1532-I1534 PolarHBondContact O-N 3.01Å; I1534-F1571 HydrophobicContact CG2-CE2 4.07Å; I1534-L1574 HydrophobicContact CB-CD2 4.37Å; I1534-L1574 HydrophobicContact CG1-CD2 3.86Å; I1534-L1574 HydrophobicContact CG2-CD2 4.15Å; I1534-S1578 WeakPolarHBondContact CD1-OG 3.22Å
1535E57.3Low50.3Low148 Ų148109.8 Ų109.869%0.69256%0.562SS**PPolyproline II helixtrans-69.4136.1-175.4-62.9-176.4151.700112.6S1533 F1571S1533-E1535 PolarHBondContact O-N 3.12Å; E1535-F1571 WeakPolarHBondContact O-CD2 3.44Å; E1535-F1571 WeakPolarHBondContact O-CE2 3.36Å
1536S71.7Confident51.9Low71 Ų71102.5 Ų102.550%0.49753%0.532SS..PPolyproline II helixtrans-76.3139.9169.956.40000111.5I1465I1465-S1536 CarbonylContact O-C 3.54Å; I1465-S1536 VanDerWaalsContact O-CA 3.32Å; I1465-S1536 WeakPolarHBondContact O-CA 3.29Å
1537L77.8Confident53.9Low23 Ų2399.6 Ų99.612%0.1252%0.522CS..EExtended strand (participates in β ladder)trans-92.1131.3173.7-117.9100.8000111.6Y1464 I1465 F1563 E1567 F1571Y1464-L1537 CarbonylContact C-O 3.49Å; Y1464-L1537 VanDerWaalsContact CA-O 3.31Å; Y1464-L1537 WeakPolarHBondContact CA-O 3.27Å; I1465-L1537 HydrophobicContact CB-CB 4.34Å; I1465-L1537 PolarHBondContact N-O 2.77Å; I1465-L1537 PolarHBondContact O-N 2.77Å; L1537-F1563 HydrophobicContact CB-CD1 4.17Å; L1537-F1563 HydrophobicContact CB-CE1 4.14Å; L1537-F1563 HydrophobicContact CD2-CB 4.34Å; L1537-F1563 HydrophobicContact CD2-CD1 3.57Å; L1537-F1563 HydrophobicContact CD2-CE1 4.38Å; L1537-F1563 HydrophobicContact CD2-CG 4.42Å; L1537-F1563 HydrophobicContact CG-CD1 4.45Å; L1537-E1567 HydrophobicContact CD1-CB 4.24Å; L1537-E1567 HydrophobicContact CD2-CB 3.87Å; L1537-E1567 HydrophobicContact CG-CB 4.48Å; L1537-F1571 HydrophobicContact CD1-CB 3.56Å; L1537-F1571 HydrophobicContact CD1-CD2 4.29Å; L1537-F1571 HydrophobicContact CD1-CG 3.98Å
1538T79.3Confident56.1Low90 Ų9096 Ų9655%0.55250%0.504SS*.EExtended strand (participates in β ladder)trans-90.4132.5172.844.90000111.6Y1464Y1464-T1538 HydrophobicContact CD1-CG2 3.49Å; Y1464-T1538 VanDerWaalsContact CD1-CG2 3.49Å; Y1464-T1538 HydrophobicContact CE1-CG2 3.53Å
1539G76.4Confident57.9Low10 Ų1088.2 Ų88.210%0.10346%0.462CS..PPolyproline II helixtrans-88138.4173.800000111.8F1463 W1561F1463-G1539 PolarHBondContact O-N 2.88Å; G1539-W1561 VanDerWaalsContact O-CE3 3.28Å; G1539-W1561 WeakPolarHBondContact O-CZ3 3.25Å
1540D79.7Confident59.9Low81 Ų8188.4 Ų88.443%0.43345%0.451SS..EExtended strand (participates in β ladder)trans-84.6139.5167.2-74.2-12.7000109.4W1561 R1562D1540-W1561 CarbonylContact O-C 3.56Å; D1540-W1561 VanDerWaalsContact O-CA 3.25Å; D1540-W1561 WeakPolarHBondContact O-CA 3.44Å; D1540-R1562 HydrophobicContact CB-CG 3.62Å; D1540-R1562 PolarHBondContact N-O 2.78Å; D1540-R1562 PolarHBondContact O-N 2.76Å; D1540-R1562 IonicContact OD2-CZ 3.18Å; D1540-R1562 IonicContact OD2-NE 2.78Å; D1540-R1562 PolarHBondContact OD2-NE 2.92Å; D1540-R1562 IonicContact OD2-NH2 3.05Å; D1540-R1562 PolarHBondContact OD2-NH2 3.32Å
1541L71Confident61.3Low20 Ų2081.2 Ų81.211%0.10542%0.415CS..EExtended strand (participates in β ladder)trans-63.5138.4169.4-142.481.8000109.5D1543 N1544 I1546 I1559 W1561L1541-D1543 VanDerWaalsContact C-N 3.33Å; L1541-D1543 WeakPolarHBondContact CD2-O 3.25Å; L1541-N1544 PolarHBondContact O-OD1 2.92Å; L1541-I1546 HydrophobicContact CD2-CB 3.79Å; L1541-I1546 WeakPolarHBondContact CD2-O 3.23Å; L1541-I1559 HydrophobicContact CD1-CG2 3.55Å; L1541-I1559 HydrophobicContact CG-CG2 4.29Å; L1541-W1561 HydrophobicContact CB-CE3 4.48Å; L1541-W1561 HydrophobicContact CB-CZ3 4.37Å; L1541-W1561 HydrophobicContact CD1-CD2 3.78Å; L1541-W1561 VanDerWaalsContact CD1-CE2 3.5Å; L1541-W1561 HydrophobicContact CD1-CE3 3.79Å; L1541-W1561 HydrophobicContact CD1-CH2 3.27Å; L1541-W1561 HydrophobicContact CD1-CZ2 3.25Å; L1541-W1561 HydrophobicContact CD1-CZ3 3.55Å
1542L65.9Low62.8Low89 Ų8974.8 Ų74.847%0.46638%0.381SS..SBendtrans-68.7-35.3177.6-157.388.7000111.7I1422 P1560 R1562I1422-L1542 HydrophobicContact CD1-CD1 3.91Å; I1422-L1542 HydrophobicContact CG1-CD1 4.35Å; L1542-P1560 HydrophobicContact CB-CB 3.93Å; L1542-P1560 HydrophobicContact CB-CG 3.73Å; L1542-P1560 WeakPolarHBondContact CB-O 3.35Å; L1542-P1560 HydrophobicContact CD2-CB 4.19Å; L1542-P1560 HydrophobicContact CD2-CG 4.01Å; L1542-P1560 PolarHBondContact N-O 2.92Å; L1542-R1562 HydrophobicContact CD1-CB 4.05Å
1543D65.1Low63.8Low54 Ų5469.9 Ų69.929%0.28936%0.358SS..SBendtrans-121.592.4175.2-169.4-13.8000110.6L1541 R1545 I1546L1541-D1543 VanDerWaalsContact C-N 3.33Å; L1541-D1543 WeakPolarHBondContact CD2-O 3.25Å; D1543-R1545 PolarHBondContact O-N 3.03Å; D1543-R1545 VanDerWaalsContact OD1-CB 3.3Å; D1543-R1545 WeakPolarHBondContact OD1-CB 3.26Å; D1543-R1545 WeakPolarHBondContact OD1-CG 3.36Å; D1543-R1545 IonicContact OD1-CZ 3.6Å; D1543-R1545 PolarHBondContact OD1-N 3.17Å; D1543-R1545 VanDerWaalsContact OD1-N 3.16Å; D1543-R1545 IonicContact OD1-NE 3.75Å; D1543-R1545 PolarHBondContact OD1-NE 3.13Å; D1543-R1545 IonicContact OD1-NH2 3.96Å; D1543-R1545 IonicContact OD2-CZ 2.69Å; D1543-R1545 IonicContact OD2-NE 3.11Å; D1543-R1545 PolarHBondContact OD2-NE 2.94Å; D1543-R1545 IonicContact OD2-NH2 3.98Å; D1543-R1545 PolarHBondContact OD2-NH2 3.32Å; D1543-I1546 HydrophobicContact CB-CD1 4.14Å; D1543-I1546 HydrophobicContact CB-CG1 4.35Å; D1543-I1546 PolarHBondContact O-N 3.11Å; D1543-I1546 VanDerWaalsContact O-N 3.08Å
1544N66.2Low64.2Low120 Ų12073 Ų7364%0.64237%0.37SS*.THydrogen-bonded Turntrans-58.7-9.2-177.6-65.6-9.2000114.7L1541 I1546L1541-N1544 PolarHBondContact O-OD1 2.92Å; N1544-I1546 VanDerWaalsContact C-N 3.28Å
1545R55Low64.6Low203 Ų20373.5 Ų73.577%0.76638%0.376SS*.THydrogen-bonded Turntrans-74.2-18.7176-61.6175.4-68.71793.2112.8D1543 T1547D1543-R1545 PolarHBondContact O-N 3.03Å; D1543-R1545 VanDerWaalsContact OD1-CB 3.3Å; D1543-R1545 WeakPolarHBondContact OD1-CB 3.26Å; D1543-R1545 WeakPolarHBondContact OD1-CG 3.36Å; D1543-R1545 IonicContact OD1-CZ 3.6Å; D1543-R1545 PolarHBondContact OD1-N 3.17Å; D1543-R1545 VanDerWaalsContact OD1-N 3.16Å; D1543-R1545 IonicContact OD1-NE 3.75Å; D1543-R1545 PolarHBondContact OD1-NE 3.13Å; D1543-R1545 IonicContact OD1-NH2 3.96Å; D1543-R1545 IonicContact OD2-CZ 2.69Å; D1543-R1545 IonicContact OD2-NE 3.11Å; D1543-R1545 PolarHBondContact OD2-NE 2.94Å; D1543-R1545 IonicContact OD2-NH2 3.98Å; D1543-R1545 PolarHBondContact OD2-NH2 3.32Å; R1545-T1547 PolarHBondContact O-N 2.95Å
1546I57.5Low64.6Low46 Ų4670.3 Ų70.324%0.23637%0.368CS..  trans-79.689.8179.1-53.1171.3000109.2M1461 L1541 D1543 N1544 F1557M1461-I1546 HydrophobicContact CE-CG2 4.08Å; L1541-I1546 HydrophobicContact CD2-CB 3.79Å; L1541-I1546 WeakPolarHBondContact CD2-O 3.23Å; D1543-I1546 HydrophobicContact CB-CD1 4.14Å; D1543-I1546 HydrophobicContact CB-CG1 4.35Å; D1543-I1546 PolarHBondContact O-N 3.11Å; D1543-I1546 VanDerWaalsContact O-N 3.08Å; N1544-I1546 VanDerWaalsContact C-N 3.28Å; I1546-F1557 HydrophobicContact CD1-CZ 4.3Å; I1546-F1557 HydrophobicContact CG2-CE1 4.13Å; I1546-F1557 HydrophobicContact CG2-CZ 3.85Å
1547T67.3Low64.2Low103 Ų10369.6 Ų69.663%0.63236%0.355SS*.SBendtrans-91-23173.253.60000112.7R1545R1545-T1547 PolarHBondContact O-N 2.95Å
1548K71.5Confident63.5Low106 Ų10671.3 Ų71.346%0.46137%0.369SS..EExtended strand (participates in β ladder)trans-141.6143.8-177.6-64.7179.3168.1-152.30110.6E1457 L1458E1457-K1548 VanDerWaalsContact OE1-CD 3.29Å; E1457-K1548 WeakPolarHBondContact OE1-CD 3.33Å; E1457-K1548 WeakPolarHBondContact OE1-CE 3.45Å; E1457-K1548 IonicContact OE1-NZ 3.11Å; E1457-K1548 PolarHBondContact OE1-NZ 2.92Å; L1458-K1548 CarbonylContact O-C 3.55Å; L1458-K1548 VanDerWaalsContact O-CA 3.29Å; L1458-K1548 WeakPolarHBondContact O-CA 3.09Å
1549A63.3Low63.2Low2 Ų267 Ų672%0.01734%0.343CS..EExtended strand (participates in β ladder)trans-130.1138.2178.600000111.1E1457 L1458 M1461 F1557E1457-A1549 CarbonylContact C-O 3.41Å; E1457-A1549 WeakPolarHBondContact CA-O 3.3Å; L1458-A1549 HydrophobicContact CB-CB 4.31Å; L1458-A1549 PolarHBondContact N-O 3.21Å; L1458-A1549 PolarHBondContact O-N 3.04Å; M1461-A1549 HydrophobicContact CE-CB 4.14Å; M1461-A1549 HydrophobicContact SD-CB 4.07Å; A1549-F1557 HydrophobicContact CB-CD1 3.45Å; A1549-F1557 VanDerWaalsContact CB-CD1 3.45Å; A1549-F1557 HydrophobicContact CB-CE1 3.19Å; A1549-F1557 HydrophobicContact CB-CE2 4.47Å; A1549-F1557 HydrophobicContact CB-CG 4.19Å; A1549-F1557 HydrophobicContact CB-CZ 3.78Å
1550Y67.5Low62.8Low113 Ų11368.1 Ų68.144%0.44335%0.348SS..EExtended strand (participates in β ladder)trans-110.7117.5178.2-63.3-77.7000109.4T1455 F1456 E1457 I1593T1455-Y1550 HydrophobicContact CG2-CD1 4.49Å; F1456-Y1550 CarbonylContact O-C 3.52Å; F1456-Y1550 VanDerWaalsContact O-CA 3.32Å; F1456-Y1550 WeakPolarHBondContact O-CA 3.44Å; E1457-Y1550 HydrophobicContact CB-CD1 3.9Å; E1457-Y1550 HydrophobicContact CB-CE1 3.62Å; E1457-Y1550 HydrophobicContact CG-CD1 4.18Å; E1457-Y1550 HydrophobicContact CG-CE1 3.55Å; Y1550-I1593 HydrophobicContact CD1-CD1 3.48Å; Y1550-I1593 VanDerWaalsContact CD1-CD1 3.48Å; Y1550-I1593 HydrophobicContact CE1-CD1 3.44Å; Y1550-I1593 VanDerWaalsContact CE1-CD1 3.44Å
1551V58.5Low62.8Low0 Ų064.9 Ų64.90%033%0.33CS..EExtended strand (participates in β ladder)trans-112.3129.5-175.9-172.30000109.6L1407 I1427 F1456 L1458 F1557L1407-V1551 HydrophobicContact CD2-CG1 4.35Å; I1427-V1551 HydrophobicContact CG2-CG1 4.31Å; I1427-V1551 HydrophobicContact CG2-CG2 4.28Å; F1456-V1551 PolarHBondContact N-O 3.14Å; F1456-V1551 PolarHBondContact O-N 3.27Å; L1458-V1551 HydrophobicContact CD1-CG2 3.63Å; L1458-V1551 HydrophobicContact CG-CG2 4.27Å; V1551-F1557 HydrophobicContact CG2-CB 3.99Å
1552T56.9Low63.2Low16 Ų1668 Ų6810%0.09834%0.34CS..  trans-135.1169.9173.974.50000109.4T1455 L1554 T1555T1455-T1552 HydrophobicContact CG2-CG2 3.63Å; T1455-T1552 VanDerWaalsContact OG1-CG2 3.25Å; T1455-T1552 WeakPolarHBondContact OG1-CG2 3.28Å; T1552-L1554 PolarHBondContact O-N 3.34Å; T1552-L1554 PolarHBondContact OG1-N 2.73Å; T1552-T1555 PolarHBondContact N-OG1 2.85Å; T1552-T1555 CarbonylContact O-C 3.57Å; T1552-T1555 PolarHBondContact O-N 3.27Å; T1552-T1555 PolarHBondContact OG1-N 3.47Å; T1552-T1555 VanDerWaalsContact OG1-N 3.16Å; T1552-T1555 PolarHBondContact OG1-OG1 3.28Å
1553H51Low64Low54 Ų5463.9 Ų63.925%0.2532%0.319CS..SBendtrans-61-28.7174.270.7-92.1000113.1C1429 D1431 P1453C1429-H1553 HydrophobicContact CB-CB 4.46Å; D1431-H1553 IonicContact OD2-CD2 3.47Å; D1431-H1553 IonicContact OD2-CG 3.28Å; D1431-H1553 IonicContact OD2-ND1 2.65Å; P1453-H1553 VanDerWaalsContact CB-CE1 3.46Å; P1453-H1553 WeakPolarHBondContact CB-CE1 3.38Å
1554L47.2Very low64.7Low123 Ų12366.5 Ų66.564%0.64433%0.328SS*.SBendtrans-85.3-23.8179.7-61.6174.6000113.1T1552 P1556T1552-L1554 PolarHBondContact O-N 3.34Å; T1552-L1554 PolarHBondContact OG1-N 2.73Å; L1554-P1556 VanDerWaalsContact C-CD 3.5Å; L1554-P1556 WeakPolarHBondContact O-CD 3.36Å
1555T51Low65.2Low72 Ų7262 Ų6244%0.44231%0.305SS..  trans-123.976.2-173.6590000110.3T1552 F1557T1552-T1555 PolarHBondContact N-OG1 2.85Å; T1552-T1555 CarbonylContact O-C 3.57Å; T1552-T1555 PolarHBondContact O-N 3.27Å; T1552-T1555 PolarHBondContact OG1-N 3.47Å; T1552-T1555 VanDerWaalsContact OG1-N 3.16Å; T1552-T1555 PolarHBondContact OG1-OG1 3.28Å; T1555-F1557 PolarHBondContact O-N 3.18Å
1556P56.4Low66.2Low81 Ų8158.3 Ų58.353%0.52630%0.3SS..  trans-59135.4166.228.2-34.9000109.2I1427 T1428 L1554I1427-P1556 WeakPolarHBondContact O-CA 3.38Å; T1428-P1556 HydrophobicContact CG2-CB 3.51Å; L1554-P1556 VanDerWaalsContact C-CD 3.5Å; L1554-P1556 WeakPolarHBondContact O-CD 3.36Å
1557F63.6Low67.5Low55 Ų5560 Ų6024%0.24131%0.307CS..EExtended strand (participates in β ladder)trans-114.4129.5-173.4-169-106.9000110.3I1427 I1546 A1549 V1551 T1555 I1559I1427-F1557 PolarHBondContact N-O 2.85Å; I1427-F1557 PolarHBondContact O-N 2.94Å; I1546-F1557 HydrophobicContact CD1-CZ 4.3Å; I1546-F1557 HydrophobicContact CG2-CE1 4.13Å; I1546-F1557 HydrophobicContact CG2-CZ 3.85Å; A1549-F1557 HydrophobicContact CB-CD1 3.45Å; A1549-F1557 VanDerWaalsContact CB-CD1 3.45Å; A1549-F1557 HydrophobicContact CB-CE1 3.19Å; A1549-F1557 HydrophobicContact CB-CE2 4.47Å; A1549-F1557 HydrophobicContact CB-CG 4.19Å; A1549-F1557 HydrophobicContact CB-CZ 3.78Å; V1551-F1557 HydrophobicContact CG2-CB 3.99Å; T1555-F1557 PolarHBondContact O-N 3.18Å; F1557-I1559 HydrophobicContact CD1-CD1 3.85Å; F1557-I1559 HydrophobicContact CD1-CG1 3.52Å; F1557-I1559 HydrophobicContact CE1-CD1 3.69Å; F1557-I1559 HydrophobicContact CE1-CG1 3.38Å
1558S63.7Low68.1Low59 Ų5956.3 Ų56.341%0.41328%0.282SS..EExtended strand (participates in β ladder)trans-111.6124.7-178.9-68.80000110.7L1425 N1426 P1560L1425-S1558 WeakPolarHBondContact O-CA 3.36Å; N1426-S1558 VanDerWaalsContact OD1-CB 3.27Å; N1426-S1558 WeakPolarHBondContact OD1-CB 3.42Å; N1426-S1558 PolarHBondContact OD1-OG 3.32Å; S1558-P1560 WeakPolarHBondContact O-CD 3.08Å
1559I71.9Confident68.6Low0 Ų055.3 Ų55.30%028%0.281CS..EExtended strand (participates in β ladder)trans-113.2107.3-179.9-51.9-178.2000109.4L1425 I1427 M1461 L1541 F1557 W1561L1425-I1559 PolarHBondContact N-O 3.48Å; L1425-I1559 PolarHBondContact O-N 2.91Å; I1427-I1559 HydrophobicContact CD1-CD1 4.25Å; M1461-I1559 HydrophobicContact CE-CD1 4.32Å; M1461-I1559 HydrophobicContact SD-CD1 3.35Å; M1461-I1559 WeakPolarHBondContact SD-CD1 3.46Å; L1541-I1559 HydrophobicContact CD1-CG2 3.55Å; L1541-I1559 HydrophobicContact CG-CG2 4.29Å; F1557-I1559 HydrophobicContact CD1-CD1 3.85Å; F1557-I1559 HydrophobicContact CD1-CG1 3.52Å; F1557-I1559 HydrophobicContact CE1-CD1 3.69Å; F1557-I1559 HydrophobicContact CE1-CG1 3.38Å; I1559-W1561 HydrophobicContact CG2-CZ2 4.22Å; I1559-W1561 VanDerWaalsContact O-CD1 3.27Å
1560P69.4Low69.4Low33 Ų3359.6 Ų59.621%0.21430%0.304CS..EExtended strand (participates in β ladder)trans-81.4131.417429.6-31.4000111.9I1422 F1423 L1542 S1558I1422-P1560 HydrophobicContact CG2-CB 3.98Å; F1423-P1560 CarbonylContact O-C 3.48Å; F1423-P1560 WeakPolarHBondContact O-CA 3.36Å; L1542-P1560 HydrophobicContact CB-CB 3.93Å; L1542-P1560 HydrophobicContact CB-CG 3.73Å; L1542-P1560 WeakPolarHBondContact CB-O 3.35Å; L1542-P1560 HydrophobicContact CD2-CB 4.19Å; L1542-P1560 HydrophobicContact CD2-CG 4.01Å; L1542-P1560 PolarHBondContact N-O 2.92Å; S1558-P1560 WeakPolarHBondContact O-CD 3.08Å
1561W77.9Confident70Confident13 Ų1354.7 Ų54.75%0.04929%0.285CS..EExtended strand (participates in β ladder)trans-118.4132.5175.9-62.485.7000109.5I1422 F1423 M1461 F1463 G1539 D1540 L1541 I1559 F1563 F1586I1422-W1561 CarbonylContact C-O 3.29Å; I1422-W1561 VanDerWaalsContact CA-O 3.29Å; I1422-W1561 WeakPolarHBondContact CA-O 3.42Å; F1423-W1561 HydrophobicContact CB-CB 4.38Å; F1423-W1561 PolarHBondContact N-O 3.38Å; F1423-W1561 PolarHBondContact O-N 2.84Å; M1461-W1561 HydrophobicContact CB-CZ2 4.38Å; M1461-W1561 WeakPolarHBondContact O-CH2 3.24Å; F1463-W1561 HydrophobicContact CB-CD2 3.49Å; F1463-W1561 VanDerWaalsContact CB-CD2 3.49Å; F1463-W1561 VanDerWaalsContact CB-CE2 3.47Å; F1463-W1561 HydrophobicContact CB-CE3 3.87Å; F1463-W1561 HydrophobicContact CB-CG 3.89Å; F1463-W1561 HydrophobicContact CB-CH2 4.2Å; F1463-W1561 HydrophobicContact CB-CZ2 3.85Å; F1463-W1561 HydrophobicContact CB-CZ3 4.2Å; F1463-W1561 HydrophobicContact CD1-CB 4.08Å; F1463-W1561 HydrophobicContact CD1-CD2 4.44Å; F1463-W1561 HydrophobicContact CD1-CG 4.01Å; F1463-W1561 HydrophobicContact CG-CD2 4.31Å; F1463-W1561 HydrophobicContact CG-CG 4.2Å; G1539-W1561 VanDerWaalsContact O-CE3 3.28Å; G1539-W1561 WeakPolarHBondContact O-CZ3 3.25Å; D1540-W1561 CarbonylContact O-C 3.56Å; D1540-W1561 VanDerWaalsContact O-CA 3.25Å; D1540-W1561 WeakPolarHBondContact O-CA 3.44Å; L1541-W1561 HydrophobicContact CB-CE3 4.48Å; L1541-W1561 HydrophobicContact CB-CZ3 4.37Å; L1541-W1561 HydrophobicContact CD1-CD2 3.78Å; L1541-W1561 VanDerWaalsContact CD1-CE2 3.5Å; L1541-W1561 HydrophobicContact CD1-CE3 3.79Å; L1541-W1561 HydrophobicContact CD1-CH2 3.27Å; L1541-W1561 HydrophobicContact CD1-CZ2 3.25Å; L1541-W1561 HydrophobicContact CD1-CZ3 3.55Å; I1559-W1561 HydrophobicContact CG2-CZ2 4.22Å; I1559-W1561 VanDerWaalsContact O-CD1 3.27Å; W1561-F1563 HydrophobicContact CB-CE2 4.17Å; W1561-F1586 HydrophobicContact CZ2-CE2 4.26Å
1562R80.1Confident71Confident85 Ų8555.5 Ų55.532%0.32129%0.289SS..EExtended strand (participates in β ladder)trans-102.6139.2178.368.7180-169.4-167.8-0.5111Y1420 D1540 L1542Y1420-R1562 HydrophobicContact CD1-CB 4.36Å; D1540-R1562 HydrophobicContact CB-CG 3.62Å; D1540-R1562 PolarHBondContact N-O 2.78Å; D1540-R1562 PolarHBondContact O-N 2.76Å; D1540-R1562 IonicContact OD2-CZ 3.18Å; D1540-R1562 IonicContact OD2-NE 2.78Å; D1540-R1562 PolarHBondContact OD2-NE 2.92Å; D1540-R1562 IonicContact OD2-NH2 3.05Å; D1540-R1562 PolarHBondContact OD2-NH2 3.32Å; L1542-R1562 HydrophobicContact CD1-CB 4.05Å
1563F82Confident71.9Confident4 Ų460.9 Ų60.92%0.01831%0.311CS..EExtended strand (participates in β ladder)trans-125.3141.2171-65.9-96.6000108.9Y1420 V1421 F1423 F1463 I1465 L1537 W1561 S1565Y1420-F1563 CarbonylContact C-O 3.56Å; Y1420-F1563 WeakPolarHBondContact CA-O 3.35Å; V1421-F1563 PolarHBondContact N-O 3.43Å; V1421-F1563 PolarHBondContact O-N 3Å; F1423-F1563 HydrophobicContact CB-CE2 4.25Å; F1423-F1563 AromaticContact CD2-CD2 3.5Å; F1423-F1563 HydrophobicContact CD2-CD2 3.5Å; F1423-F1563 VanDerWaalsContact CD2-CD2 3.5Å; F1423-F1563 AromaticContact CD2-CE2 3.65Å; F1423-F1563 HydrophobicContact CD2-CE2 3.65Å; F1423-F1563 AromaticContact CE2-CD2 3.97Å; F1423-F1563 HydrophobicContact CE2-CD2 3.97Å; F1423-F1563 HydrophobicContact CE2-CE2 4.25Å; F1423-F1563 HydrophobicContact CG-CD2 4.35Å; F1423-F1563 HydrophobicContact CG-CE2 4.08Å; F1463-F1563 AromaticContact CD1-CE2 3.7Å; F1463-F1563 HydrophobicContact CD1-CE2 3.7Å; F1463-F1563 AromaticContact CD1-CZ 3.58Å; F1463-F1563 HydrophobicContact CD1-CZ 3.58Å; F1463-F1563 AromaticContact CE1-CE2 3.71Å; F1463-F1563 HydrophobicContact CE1-CE2 3.71Å; F1463-F1563 AromaticContact CE1-CZ 3.76Å; F1463-F1563 HydrophobicContact CE1-CZ 3.76Å; I1465-F1563 HydrophobicContact CD1-CD1 3.98Å; I1465-F1563 HydrophobicContact CD1-CD2 4.24Å; I1465-F1563 HydrophobicContact CD1-CE1 3.67Å; I1465-F1563 HydrophobicContact CD1-CE2 3.99Å; I1465-F1563 HydrophobicContact CD1-CG 4.22Å; I1465-F1563 HydrophobicContact CD1-CZ 3.68Å; I1465-F1563 HydrophobicContact CG1-CE1 3.78Å; I1465-F1563 HydrophobicContact CG1-CE2 4.36Å; I1465-F1563 HydrophobicContact CG1-CZ 3.67Å; L1537-F1563 HydrophobicContact CB-CD1 4.17Å; L1537-F1563 HydrophobicContact CB-CE1 4.14Å; L1537-F1563 HydrophobicContact CD2-CB 4.34Å; L1537-F1563 HydrophobicContact CD2-CD1 3.57Å; L1537-F1563 HydrophobicContact CD2-CE1 4.38Å; L1537-F1563 HydrophobicContact CD2-CG 4.42Å; L1537-F1563 HydrophobicContact CG-CD1 4.45Å; W1561-F1563 HydrophobicContact CB-CE2 4.17Å; F1563-S1565 PolarHBondContact O-N 3.44Å
1564K81.8Confident73.1Confident109 Ų10961.3 Ų61.347%0.47432%0.315SS..EExtended strand (participates in β ladder)trans-66.2130.9175.5-65.9-170.7-148.3138.70109.4Y1420 L1566 E1567 Y1568Y1420-K1564 HydrophobicContact CD1-CG 4.29Å; Y1420-K1564 HydrophobicContact CE1-CG 3.87Å; K1564-L1566 VanDerWaalsContact C-N 3.26Å; K1564-L1566 PolarHBondContact O-N 2.9Å; K1564-E1567 HydrophobicContact CB-CB 4.37Å; K1564-E1567 HydrophobicContact CB-CG 4.22Å; K1564-E1567 WeakPolarHBondContact CD-OE1 3.49Å; K1564-E1567 IonicContact NZ-OE1 3.16Å; K1564-E1567 PolarHBondContact NZ-OE1 3.01Å; K1564-E1567 PolarHBondContact O-N 3.37Å; K1564-Y1568 PolarHBondContact O-N 3.31Å
1565S75.1Confident74.3Confident24 Ų2455.6 Ų55.617%0.16829%0.285CS..Hα-helixtrans-59.5-37-174.5-176.80000112.6T1419 F1563 N1569T1419-S1565 WeakPolarHBondContact O-CB 3.49Å; T1419-S1565 PolarHBondContact O-N 3.48Å; F1563-S1565 PolarHBondContact O-N 3.44Å; S1565-N1569 VanDerWaalsContact O-CB 3.25Å; S1565-N1569 WeakPolarHBondContact O-CB 3.43Å; S1565-N1569 PolarHBondContact O-N 3.45Å; S1565-N1569 PolarHBondContact O-ND2 2.93Å; S1565-N1569 PolarHBondContact OG-ND2 3.47Å
1566L77.5Confident75.3Confident126 Ų12658.4 Ų58.466%0.6629%0.291SS*.Hα-helixtrans-63.3-48.5178-174.366.1000112.3K1564 N1569 N1570K1564-L1566 VanDerWaalsContact C-N 3.26Å; K1564-L1566 PolarHBondContact O-N 2.9Å; L1566-N1569 PolarHBondContact O-N 3.09Å; L1566-N1570 WeakPolarHBondContact O-CB 3.44Å; L1566-N1570 VanDerWaalsContact O-CG 3.23Å; L1566-N1570 PolarHBondContact O-N 3.41Å
1567E82.9Confident76.1Confident81 Ų8160.6 Ų60.638%0.37929%0.294SS..Hα-helixtrans-66.4-45.2-179.2-65.2168.7-168.400110.9L1537 K1564 N1569 N1570 F1571L1537-E1567 HydrophobicContact CD1-CB 4.24Å; L1537-E1567 HydrophobicContact CD2-CB 3.87Å; L1537-E1567 HydrophobicContact CG-CB 4.48Å; K1564-E1567 HydrophobicContact CB-CB 4.37Å; K1564-E1567 HydrophobicContact CB-CG 4.22Å; K1564-E1567 WeakPolarHBondContact CD-OE1 3.49Å; K1564-E1567 IonicContact NZ-OE1 3.16Å; K1564-E1567 PolarHBondContact NZ-OE1 3.01Å; K1564-E1567 PolarHBondContact O-N 3.37Å; E1567-N1569 PolarHBondContact O-N 3.04Å; E1567-N1570 PolarHBondContact O-N 3.15Å; E1567-F1571 WeakPolarHBondContact O-CB 3.36Å; E1567-F1571 PolarHBondContact O-N 3.39Å
1568Y81.1Confident76.3Confident27 Ų2760 Ų6011%0.10630%0.297CS..Hα-helixtrans-60.3-45.6175.6175-99.2000112.1V1421 F1423 I1465 K1564 F1571 M1572V1421-Y1568 HydrophobicContact CB-CD1 4.37Å; V1421-Y1568 HydrophobicContact CB-CG 4.49Å; V1421-Y1568 HydrophobicContact CG1-CD1 4.48Å; V1421-Y1568 HydrophobicContact CG1-CE1 4.38Å; V1421-Y1568 HydrophobicContact CG2-CD1 3.74Å; V1421-Y1568 HydrophobicContact CG2-CE1 4.25Å; V1421-Y1568 HydrophobicContact CG2-CG 4.2Å; F1423-Y1568 HydrophobicContact CE2-CD2 4.25Å; F1423-Y1568 AromaticContact CE2-CE2 3.89Å; F1423-Y1568 HydrophobicContact CE2-CE2 3.89Å; F1423-Y1568 HydrophobicContact CZ-CD2 4.43Å; F1423-Y1568 AromaticContact CZ-CE2 3.67Å; F1423-Y1568 HydrophobicContact CZ-CE2 3.67Å; I1465-Y1568 HydrophobicContact CD1-CD2 3.81Å; I1465-Y1568 HydrophobicContact CD1-CE2 3.88Å; K1564-Y1568 PolarHBondContact O-N 3.31Å; Y1568-F1571 PolarHBondContact O-N 3.24Å; Y1568-M1572 HydrophobicContact CD1-CG 4.17Å; Y1568-M1572 HydrophobicContact CD2-CG 4.15Å; Y1568-M1572 HydrophobicContact CE1-CG 3.79Å; Y1568-M1572 HydrophobicContact CE2-CG 3.73Å; Y1568-M1572 HydrophobicContact CE2-SD 4.01Å; Y1568-M1572 HydrophobicContact CG-CG 4.36Å; Y1568-M1572 WeakPolarHBondContact O-CB 3.47Å; Y1568-M1572 VanDerWaalsContact O-CG 3.22Å; Y1568-M1572 WeakPolarHBondContact O-CG 3.46Å; Y1568-M1572 PolarHBondContact O-N 2.78Å
1569N81.3Confident76.7Confident84 Ų8464.9 Ų64.945%0.44931%0.313SS..Hα-helixtrans-65.5-40.5179.5-72.9-25.2000111.9S1565 L1566 E1567 M1572 K1573S1565-N1569 VanDerWaalsContact O-CB 3.25Å; S1565-N1569 WeakPolarHBondContact O-CB 3.43Å; S1565-N1569 PolarHBondContact O-N 3.45Å; S1565-N1569 PolarHBondContact O-ND2 2.93Å; S1565-N1569 PolarHBondContact OG-ND2 3.47Å; L1566-N1569 PolarHBondContact O-N 3.09Å; E1567-N1569 PolarHBondContact O-N 3.04Å; N1569-M1572 PolarHBondContact O-N 3.49Å; N1569-K1573 WeakPolarHBondContact O-CB 3.48Å; N1569-K1573 PolarHBondContact O-N 3.26Å
1570N80Confident76.6Confident92 Ų9265.5 Ų65.549%0.49232%0.317SS..Hα-helixtrans-62.4-46.6174.9-73.4-10000111L1566 E1567 M1572 K1573 L1574L1566-N1570 WeakPolarHBondContact O-CB 3.44Å; L1566-N1570 VanDerWaalsContact O-CG 3.23Å; L1566-N1570 PolarHBondContact O-N 3.41Å; E1567-N1570 PolarHBondContact O-N 3.15Å; N1570-M1572 PolarHBondContact O-N 3.12Å; N1570-K1573 WeakPolarHBondContact O-CB 3.38Å; N1570-K1573 PolarHBondContact O-N 3.31Å; N1570-L1574 WeakPolarHBondContact O-CB 3.44Å; N1570-L1574 PolarHBondContact O-N 3.03Å
1571F80.8Confident76.9Confident11 Ų1167 Ų675%0.04832%0.322CS..Hα-helixtrans-62.1-42.6177175-94.4000112.7I1465 A1467 I1534 E1535 L1537 E1567 Y1568 K1573 L1574 C1575 P1582I1465-F1571 HydrophobicContact CB-CE1 4.39Å; I1465-F1571 HydrophobicContact CG2-CD1 4.06Å; I1465-F1571 HydrophobicContact CG2-CE1 3.43Å; I1465-F1571 VanDerWaalsContact CG2-CE1 3.43Å; I1465-F1571 HydrophobicContact CG2-CZ 4.13Å; A1467-F1571 HydrophobicContact CB-CE2 4.18Å; A1467-F1571 HydrophobicContact CB-CZ 3.92Å; I1534-F1571 HydrophobicContact CG2-CE2 4.07Å; E1535-F1571 WeakPolarHBondContact O-CD2 3.44Å; E1535-F1571 WeakPolarHBondContact O-CE2 3.36Å; L1537-F1571 HydrophobicContact CD1-CB 3.56Å; L1537-F1571 HydrophobicContact CD1-CD2 4.29Å; L1537-F1571 HydrophobicContact CD1-CG 3.98Å; E1567-F1571 WeakPolarHBondContact O-CB 3.36Å; E1567-F1571 PolarHBondContact O-N 3.39Å; Y1568-F1571 PolarHBondContact O-N 3.24Å; F1571-K1573 VanDerWaalsContact C-N 3.33Å; F1571-K1573 PolarHBondContact O-N 3.11Å; F1571-L1574 PolarHBondContact O-N 3.31Å; F1571-C1575 WeakPolarHBondContact CE1-SG 3.3Å; F1571-C1575 WeakPolarHBondContact CZ-SG 3.41Å; F1571-C1575 WeakPolarHBondContact O-CB 3.26Å; F1571-C1575 PolarHBondContact O-N 3.28Å; F1571-C1575 PolarHBondContact O-SG 3.31Å; F1571-P1582 HydrophobicContact CE1-CB 4.21Å
1572M79.8Confident76.7Confident17 Ų1766.9 Ų66.98%0.08432%0.322CS..Hα-helixtrans-67.2-34.3176.7-70.2-62.6-6900112.3Y1568 N1569 N1570 K1576 P1582 Q1611Y1568-M1572 HydrophobicContact CD1-CG 4.17Å; Y1568-M1572 HydrophobicContact CD2-CG 4.15Å; Y1568-M1572 HydrophobicContact CE1-CG 3.79Å; Y1568-M1572 HydrophobicContact CE2-CG 3.73Å; Y1568-M1572 HydrophobicContact CE2-SD 4.01Å; Y1568-M1572 HydrophobicContact CG-CG 4.36Å; Y1568-M1572 WeakPolarHBondContact O-CB 3.47Å; Y1568-M1572 VanDerWaalsContact O-CG 3.22Å; Y1568-M1572 WeakPolarHBondContact O-CG 3.46Å; Y1568-M1572 PolarHBondContact O-N 2.78Å; N1569-M1572 PolarHBondContact O-N 3.49Å; N1570-M1572 PolarHBondContact O-N 3.12Å; M1572-K1576 WeakPolarHBondContact O-CG 3.28Å; M1572-K1576 PolarHBondContact O-N 3.41Å; M1572-P1582 HydrophobicContact CE-CG 3.78Å; M1572-P1582 HydrophobicContact SD-CB 3.89Å; M1572-P1582 HydrophobicContact SD-CG 3.77Å; M1572-Q1611 VanDerWaalsContact CE-NE2 3.35Å
1573K76.4Confident76.2Confident128 Ų12863.9 Ų63.956%0.55731%0.312SS*.Hα-helixtrans-64.3-46.2172.4-171-175.8178.6-160.10110.5N1569 N1570 F1571 C1575 K1576 E1577N1569-K1573 WeakPolarHBondContact O-CB 3.48Å; N1569-K1573 PolarHBondContact O-N 3.26Å; N1570-K1573 WeakPolarHBondContact O-CB 3.38Å; N1570-K1573 PolarHBondContact O-N 3.31Å; F1571-K1573 VanDerWaalsContact C-N 3.33Å; F1571-K1573 PolarHBondContact O-N 3.11Å; K1573-C1575 PolarHBondContact O-N 2.92Å; K1573-K1576 WeakPolarHBondContact O-CB 3.43Å; K1573-K1576 PolarHBondContact O-N 3.37Å; K1573-K1576 VanDerWaalsContact O-N 3.14Å; K1573-E1577 WeakPolarHBondContact CE-OE1 3.5Å; K1573-E1577 IonicContact NZ-OE1 3.54Å; K1573-E1577 WeakPolarHBondContact O-CG 3.44Å; K1573-E1577 PolarHBondContact O-N 2.98Å
1574L74.5Confident75.6Confident64 Ų6463.7 Ų63.734%0.33531%0.312SS..Hα-helixtrans-63.2-39.9177.4-137.3143.3000111.8I1534 N1570 F1571 E1577 S1578I1534-L1574 HydrophobicContact CB-CD2 4.37Å; I1534-L1574 HydrophobicContact CG1-CD2 3.86Å; I1534-L1574 HydrophobicContact CG2-CD2 4.15Å; N1570-L1574 WeakPolarHBondContact O-CB 3.44Å; N1570-L1574 PolarHBondContact O-N 3.03Å; F1571-L1574 PolarHBondContact O-N 3.31Å; L1574-E1577 PolarHBondContact O-N 2.88Å; L1574-S1578 VanDerWaalsContact O-CB 3.29Å; L1574-S1578 WeakPolarHBondContact O-CB 3.42Å; L1574-S1578 PolarHBondContact O-N 3.29Å; L1574-S1578 PolarHBondContact O-OG 3.07Å
1575C72.8Confident75.2Confident2 Ų261.1 Ų61.11%0.01430%0.299CS..Hα-helixtrans-62.8-40172.7-72.20000112.5F1571 K1573 S1578 H1579 C1580F1571-C1575 WeakPolarHBondContact CE1-SG 3.3Å; F1571-C1575 WeakPolarHBondContact CZ-SG 3.41Å; F1571-C1575 WeakPolarHBondContact O-CB 3.26Å; F1571-C1575 PolarHBondContact O-N 3.28Å; F1571-C1575 PolarHBondContact O-SG 3.31Å; K1573-C1575 PolarHBondContact O-N 2.92Å; C1575-S1578 WeakPolarHBondContact CA-OG 3.47Å; C1575-S1578 PolarHBondContact O-OG 2.95Å; C1575-H1579 PolarHBondContact O-N 3.14Å; C1575-H1579 VanDerWaalsContact O-N 3.09Å; C1575-C1580 PolarHBondContact O-N 2.85Å
1576K73Confident74.7Confident131 Ų13160 Ų6057%0.5729%0.291SS*.Hα-helixtrans-65.9-44.7175.2-78.5-176.7178.6-173.70111.7M1572 K1573 S1578 H1579 Q1611M1572-K1576 WeakPolarHBondContact O-CG 3.28Å; M1572-K1576 PolarHBondContact O-N 3.41Å; K1573-K1576 WeakPolarHBondContact O-CB 3.43Å; K1573-K1576 PolarHBondContact O-N 3.37Å; K1573-K1576 VanDerWaalsContact O-N 3.14Å; K1576-S1578 VanDerWaalsContact C-N 3.34Å; K1576-H1579 PolarHBondContact O-N 3.02Å; K1576-Q1611 VanDerWaalsContact CE-NE2 3.28Å
1577E71.9Confident74.6Confident127 Ų12756.9 Ų56.959%0.59327%0.273SS*.Hα-helixtrans-66.5-35179.2-72.9172.4178.500112.1K1573 L1574K1573-E1577 WeakPolarHBondContact CE-OE1 3.5Å; K1573-E1577 IonicContact NZ-OE1 3.54Å; K1573-E1577 WeakPolarHBondContact O-CG 3.44Å; K1573-E1577 PolarHBondContact O-N 2.98Å; L1574-E1577 PolarHBondContact O-N 2.88Å
1578S68.6Low73.9Confident43 Ų4353.4 Ų53.430%0.30126%0.257SS..THydrogen-bonded Turntrans-91.45178.760.20000114.8I1534 L1574 C1575 K1576 C1580I1534-S1578 WeakPolarHBondContact CD1-OG 3.22Å; L1574-S1578 VanDerWaalsContact O-CB 3.29Å; L1574-S1578 WeakPolarHBondContact O-CB 3.42Å; L1574-S1578 PolarHBondContact O-N 3.29Å; L1574-S1578 PolarHBondContact O-OG 3.07Å; C1575-S1578 WeakPolarHBondContact CA-OG 3.47Å; C1575-S1578 PolarHBondContact O-OG 2.95Å; K1576-S1578 VanDerWaalsContact C-N 3.34Å; S1578-C1580 PolarHBondContact O-N 3.11Å; S1578-C1580 VanDerWaalsContact O-N 3.17Å; S1578-C1580 PolarHBondContact O-SG 3.43Å
1579H72.9Confident73.1Confident162 Ų16252.9 Ų52.975%0.7526%0.257SS*.THydrogen-bonded Turntrans51.933-175.3-59.4-56.3000114.7C1575 K1576C1575-H1579 PolarHBondContact O-N 3.14Å; C1575-H1579 VanDerWaalsContact O-N 3.09Å; K1576-H1579 PolarHBondContact O-N 3.02Å
1580C69.5Low71.8Confident13 Ų1349.8 Ų49.89%0.08824%0.24CC..EExtended strand (participates in β ladder)trans-96.4141.9177.4-67.40000111.4A1467 S1468 C1575 S1578A1467-C1580 HydrophobicContact CB-CB 3.9Å; S1468-C1580 CarbonylContact O-C 3.53Å; S1468-C1580 WeakPolarHBondContact O-CA 3.29Å; C1575-C1580 PolarHBondContact O-N 2.85Å; S1578-C1580 PolarHBondContact O-N 3.11Å; S1578-C1580 VanDerWaalsContact O-N 3.17Å; S1578-C1580 PolarHBondContact O-SG 3.43Å
1581Q74.4Confident70.7Confident64 Ų6446.2 Ų46.230%0.29922%0.221SC..EExtended strand (participates in β ladder)trans-89.2121.9175.5-169.7166.322.100110.1S1468 L1470 V1608S1468-Q1581 PolarHBondContact N-O 3.06Å; S1468-Q1581 PolarHBondContact O-N 3.33Å; S1468-Q1581 PolarHBondContact OG-O 2.9Å; L1470-Q1581 HydrophobicContact CD1-CB 3.93Å; L1470-Q1581 HydrophobicContact CG-CB 4.16Å; Q1581-V1608 HydrophobicContact CG-CG1 4.13Å
1582P74.2Confident69.5Low10 Ų1052 Ų527%0.06524%0.243CC..EExtended strand (participates in β ladder)trans-71.3131.3177.528.2-32.5000110.9I1465 C1466 F1571 M1572 I1609I1465-P1582 HydrophobicContact CG2-CB 4.34Å; C1466-P1582 CarbonylContact O-C 3.42Å; C1466-P1582 WeakPolarHBondContact O-CA 3.32Å; F1571-P1582 HydrophobicContact CE1-CB 4.21Å; M1572-P1582 HydrophobicContact CE-CG 3.78Å; M1572-P1582 HydrophobicContact SD-CB 3.89Å; M1572-P1582 HydrophobicContact SD-CG 3.77Å; P1582-I1609 HydrophobicContact CB-CD1 4.41Å; P1582-I1609 HydrophobicContact CG-CB 4.34Å; P1582-I1609 PolarHBondContact O-N 3.33Å; P1582-I1609 VanDerWaalsContact O-N 3.12Å
1583I69.4Low68.1Low22 Ų2255.2 Ų55.211%0.11326%0.259CS..EExtended strand (participates in β ladder)trans-119.5127.9177.5-61-175000108.2I1465 C1466 S1468 D1606 C1607I1465-I1583 WeakPolarHBondContact CA-O 3.46Å; C1466-I1583 PolarHBondContact N-O 3.06Å; C1466-I1583 PolarHBondContact O-N 3.12Å; S1468-I1583 VanDerWaalsContact CB-CD1 3.48Å; S1468-I1583 WeakPolarHBondContact OG-CD1 3.49Å; I1583-D1606 HydrophobicContact CG2-CB 3.77Å; I1583-C1607 CarbonylContact C-O 3.55Å; I1583-C1607 WeakPolarHBondContact CA-O 3.41Å
1584G70.5Confident66.9Low0 Ų052.6 Ų52.60%027%0.269CS..EExtended strand (participates in β ladder)trans-83.2117.7166.100000110Y1464 C1607Y1464-G1584 CarbonylContact O-C 3.57Å; Y1464-G1584 WeakPolarHBondContact O-CA 3.29Å; G1584-C1607 PolarHBondContact N-O 3.42Å; G1584-C1607 PolarHBondContact O-N 3.46Å
1585R72.4Confident65.2Low56 Ų5654 Ų5421%0.21128%0.276CS..EExtended strand (participates in β ladder)trans-104.8124.7179.6175.9167.9-61.4150.98.5110.2F1463 Y1464 E1587 R1604 D1606F1463-R1585 CarbonylContact C-O 3.6Å; F1463-R1585 VanDerWaalsContact CA-O 3.31Å; F1463-R1585 WeakPolarHBondContact CA-O 3.34Å; F1463-R1585 WeakPolarHBondContact CD2-O 3.4Å; Y1464-R1585 PolarHBondContact N-O 3.48Å; Y1464-R1585 PolarHBondContact O-N 3.22Å; R1585-E1587 WeakPolarHBondContact CD-OE1 3.42Å; R1585-E1587 HydrophobicContact CG-CG 4.2Å; R1585-R1604 VanDerWaalsContact CD-NE 3.34Å; R1585-R1604 HydrophobicContact CG-CG 4.25Å; R1585-R1604 VanDerWaalsContact NE-NH2 3.19Å; R1585-D1606 VanDerWaalsContact CG-OD1 3.26Å; R1585-D1606 WeakPolarHBondContact CG-OD1 3.16Å; R1585-D1606 IonicContact CZ-OD1 2.94Å; R1585-D1606 IonicContact CZ-OD2 2.69Å; R1585-D1606 IonicContact NE-OD1 2.63Å; R1585-D1606 PolarHBondContact NE-OD1 2.78Å; R1585-D1606 IonicContact NE-OD2 2.8Å; R1585-D1606 PolarHBondContact NE-OD2 2.59Å; R1585-D1606 IonicContact NH2-OD1 3.17Å; R1585-D1606 IonicContact NH2-OD2 3.76Å; R1585-D1606 PolarHBondContact NH2-OD2 3.15Å
1586F66Low63.5Low1 Ų161.3 Ų61.30%0.00432%0.321CS..EExtended strand (participates in β ladder)trans-111.2130.9172.7-178.7-110.2000110.5F1409 L1425 I1427 M1461 R1462 F1463 W1561 C1588 R1604 V1605F1409-F1586 HydrophobicContact CE1-CD1 4.11Å; F1409-F1586 HydrophobicContact CE1-CE1 4.21Å; L1425-F1586 HydrophobicContact CD2-CB 3.84Å; L1425-F1586 HydrophobicContact CD2-CD1 3.68Å; L1425-F1586 HydrophobicContact CD2-CD2 3.41Å; L1425-F1586 VanDerWaalsContact CD2-CD2 3.41Å; L1425-F1586 HydrophobicContact CD2-CE1 4.02Å; L1425-F1586 HydrophobicContact CD2-CE2 3.76Å; L1425-F1586 HydrophobicContact CD2-CG 3.35Å; L1425-F1586 HydrophobicContact CD2-CZ 4.05Å; I1427-F1586 HydrophobicContact CD1-CE1 3.94Å; I1427-F1586 HydrophobicContact CD1-CZ 4.01Å; M1461-F1586 HydrophobicContact CB-CE2 3.92Å; M1461-F1586 HydrophobicContact CB-CZ 4.06Å; M1461-F1586 HydrophobicContact CG-CE2 4.26Å; M1461-F1586 HydrophobicContact CG-CZ 3.87Å; M1461-F1586 HydrophobicContact SD-CZ 4.34Å; R1462-F1586 WeakPolarHBondContact O-CA 3.19Å; R1462-F1586 WeakPolarHBondContact O-CD2 3.31Å; F1463-F1586 HydrophobicContact CB-CD2 4.5Å; F1463-F1586 HydrophobicContact CD2-CB 4.12Å; W1561-F1586 HydrophobicContact CZ2-CE2 4.26Å; F1586-C1588 HydrophobicContact CE1-CB 3.81Å; F1586-C1588 HydrophobicContact CZ-CB 3.9Å; F1586-R1604 WeakPolarHBondContact O-CA 3.33Å; F1586-V1605 PolarHBondContact N-O 3.29Å; F1586-V1605 PolarHBondContact O-N 3.31Å
1587E74.1Confident61.8Low60 Ų6063.2 Ų63.228%0.2833%0.329SS..EExtended strand (participates in β ladder)trans-125.7135.1177.1-67.6176.6175.200109.4M1461 R1462 R1585 I1603 R1604M1461-E1587 CarbonylContact C-O 3.54Å; M1461-E1587 WeakPolarHBondContact CA-O 3.42Å; R1462-E1587 PolarHBondContact N-O 3.29Å; R1462-E1587 PolarHBondContact O-N 2.89Å; R1585-E1587 WeakPolarHBondContact CD-OE1 3.42Å; R1585-E1587 HydrophobicContact CG-CG 4.2Å; E1587-I1603 WeakPolarHBondContact CA-O 3.5Å; E1587-R1604 HydrophobicContact CG-CB 4.15Å; E1587-R1604 HydrophobicContact CG-CG 3.92Å; E1587-R1604 WeakPolarHBondContact OE1-CD 3.19Å
1588C69.4Low60.2Low7 Ų765.7 Ų65.75%0.04734%0.338CS..EExtended strand (participates in β ladder)trans-154.6161.9175.870.50000112.1M1461 F1586 I1603M1461-C1588 HydrophobicContact CG-CB 3.93Å; F1586-C1588 HydrophobicContact CE1-CB 3.81Å; F1586-C1588 HydrophobicContact CZ-CB 3.9Å; C1588-I1603 PolarHBondContact N-O 3.46Å; C1588-I1603 PolarHBondContact O-N 3Å
1589T62.8Low58.9Low16 Ų1668.9 Ų68.910%0.09835%0.35CS..EExtended strand (participates in β ladder)trans-96.1123.8168.440.80000108.4L1458 S1459 N1460 D1602L1458-T1589 CarbonylContact C-O 3.48Å; L1458-T1589 WeakPolarHBondContact CA-O 3.24Å; S1459-T1589 WeakPolarHBondContact CA-OG1 3.34Å; S1459-T1589 WeakPolarHBondContact CB-OG1 3.46Å; S1459-T1589 PolarHBondContact N-O 3.07Å; S1459-T1589 PolarHBondContact O-N 2.8Å; S1459-T1589 PolarHBondContact O-OG1 2.86Å; S1459-T1589 PolarHBondContact OG-OG1 3.33Å; N1460-T1589 HydrophobicContact CB-CG2 4.33Å; T1589-D1602 WeakPolarHBondContact CG2-OD1 3.25Å
1590M53.8Low57.6Low19 Ų1966.4 Ų66.49%0.09434%0.343CS..EExtended strand (participates in β ladder)trans-109.6137.2-180-175.7179.383.800111.7L1407 F1456 E1457 L1458 Q1601 I1603L1407-M1590 HydrophobicContact CD1-SD 3.52Å; L1407-M1590 VanDerWaalsContact CD1-SD 3.52Å; L1407-M1590 HydrophobicContact CG-SD 4.5Å; F1456-M1590 HydrophobicContact CB-CG 4.24Å; F1456-M1590 HydrophobicContact CB-SD 4.42Å; F1456-M1590 HydrophobicContact CD1-CE 3.96Å; F1456-M1590 HydrophobicContact CD1-CG 3.97Å; F1456-M1590 HydrophobicContact CD1-SD 3.78Å; F1456-M1590 HydrophobicContact CE1-CE 3.94Å; F1456-M1590 HydrophobicContact CE1-SD 4.28Å; F1456-M1590 HydrophobicContact CG-CG 4.44Å; F1456-M1590 HydrophobicContact CG-SD 4.19Å; E1457-M1590 CarbonylContact O-C 3.59Å; E1457-M1590 WeakPolarHBondContact O-CA 3.47Å; L1458-M1590 HydrophobicContact CD2-CB 3.84Å; L1458-M1590 HydrophobicContact CD2-CG 3.72Å; L1458-M1590 HydrophobicContact CD2-SD 4.38Å; M1590-Q1601 PolarHBondContact N-O 2.87Å; M1590-Q1601 PolarHBondContact O-N 3.43Å; M1590-Q1601 VanDerWaalsContact O-N 3.08Å; M1590-I1603 HydrophobicContact CB-CD1 3.54Å; M1590-I1603 HydrophobicContact CB-CG1 4.19Å; M1590-I1603 HydrophobicContact CE-CD1 3.68Å; M1590-I1603 HydrophobicContact CG-CD1 4.1Å; M1590-I1603 HydrophobicContact SD-CD1 3.47Å; M1590-I1603 WeakPolarHBondContact SD-CD1 3.38Å
1591N58.5Low56.6Low17 Ų1771 Ų719%0.09136%0.363CS..EExtended strand (participates in β ladder)trans-132.7127.8178-86.8-36.4000112F1456 E1457 I1599 N1600F1456-N1591 CarbonylContact C-O 3.54Å; F1456-N1591 WeakPolarHBondContact CA-O 3.46Å; E1457-N1591 HydrophobicContact CB-CB 4.17Å; E1457-N1591 PolarHBondContact N-O 3.42Å; E1457-N1591 PolarHBondContact O-N 3.32Å; N1591-I1599 PolarHBondContact OD1-O 3.3Å; N1591-N1600 PolarHBondContact ND2-OD1 3.36Å; N1591-N1600 VanDerWaalsContact OD1-CA 3.26Å; N1591-N1600 WeakPolarHBondContact OD1-CA 3.45Å; N1591-N1600 PolarHBondContact OD1-N 3.34Å; N1591-N1600 PolarHBondContact OD1-OD1 3.45Å
1592R55.5Low55.5Low133 Ų13374.5 Ų74.550%0.50238%0.384SS..EExtended strand (participates in β ladder)trans-82.4122173.1-173.4179.9177-177.70.5110.6V1454 F1456V1454-R1592 HydrophobicContact CG1-CG 4.47Å; F1456-R1592 HydrophobicContact CD1-CB 3.97Å; F1456-R1592 HydrophobicContact CD1-CG 4.32Å; F1456-R1592 HydrophobicContact CE1-CB 3.81Å; F1456-R1592 HydrophobicContact CE1-CG 3.93Å
1593I50.5Low54.3Low84 Ų8476 Ų7643%0.43139%0.391SS..EExtended strand (participates in β ladder)trans-82.4125178-55.6179.1000109.1T1455 E1457 Y1550T1455-I1593 HydrophobicContact CG2-CD1 3.94Å; T1455-I1593 PolarHBondContact O-N 3.02Å; E1457-I1593 HydrophobicContact CB-CD1 4.16Å; E1457-I1593 HydrophobicContact CB-CG1 4.27Å; Y1550-I1593 HydrophobicContact CD1-CD1 3.48Å; Y1550-I1593 VanDerWaalsContact CD1-CD1 3.48Å; Y1550-I1593 HydrophobicContact CE1-CD1 3.44Å; Y1550-I1593 VanDerWaalsContact CE1-CD1 3.44Å
1594G50Low53.7Low74 Ų7481.5 Ų81.576%0.76341%0.41SS*.THydrogen-bonded Turntrans118.8-12.5178.100000115.3
1595N38.6Very low52.8Low92 Ų9282.9 Ų82.949%0.49242%0.419SS..  trans-84.7131.9170.5-98.6-5.5000110.7K1597N1595-K1597 PolarHBondContact O-N 3.31Å; N1595-K1597 VanDerWaalsContact O-N 3.1Å
1596V38.7Very low52Low156 Ų15683.5 Ų83.595%0.94543%0.426SS*.SBendtrans-60.7-20.9-179.7-175.10000112.2
1597K36.8Very low51.7Low171 Ų17184.6 Ų84.674%0.74343%0.433SS*.SBendtrans-108.5114.8169.5-72.1-177176.9-179.60110.1N1595 I1599N1595-K1597 PolarHBondContact O-N 3.31Å; N1595-K1597 VanDerWaalsContact O-N 3.1Å; K1597-I1599 PolarHBondContact O-N 2.96Å
1598K38.2Very low51Low180 Ų18085.8 Ų85.878%0.78345%0.445SS*.  trans-67107.9167.5-74-176.2177.4-178.90108.7
1599I40.5Very low50.6Low109 Ų10986 Ų8656%0.55945%0.445SS*.  trans-104.4102.8170.6-57.8173.9000106.3N1591 K1597 Q1601N1591-I1599 PolarHBondContact OD1-O 3.3Å; K1597-I1599 PolarHBondContact O-N 2.96Å; I1599-Q1601 HydrophobicContact CG2-CG 4.15Å; I1599-Q1601 PolarHBondContact O-N 3.21Å
1600N46Very low50.2Low110 Ų11088 Ų8859%0.58847%0.47SS*.  trans-72.6117.1172.8-63.8-23000108.2N1591N1591-N1600 PolarHBondContact ND2-OD1 3.36Å; N1591-N1600 VanDerWaalsContact OD1-CA 3.26Å; N1591-N1600 WeakPolarHBondContact OD1-CA 3.45Å; N1591-N1600 PolarHBondContact OD1-N 3.34Å; N1591-N1600 PolarHBondContact OD1-OD1 3.45Å
1601Q48.2Very low49.6Very low109 Ų10992 Ų9251%0.50949%0.488SS..EExtended strand (participates in β ladder)trans-109.8125172.2-72.5-176.9-14.400110.2M1590 I1599M1590-Q1601 PolarHBondContact N-O 2.87Å; M1590-Q1601 PolarHBondContact O-N 3.43Å; M1590-Q1601 VanDerWaalsContact O-N 3.08Å; I1599-Q1601 HydrophobicContact CG2-CG 4.15Å; I1599-Q1601 PolarHBondContact O-N 3.21Å
1602D51.9Low48.3Very low139 Ų139100.6 Ų100.674%0.74353%0.528SS*.EExtended strand (participates in β ladder)trans-78122.9171.1-71.6-28.3000109.7T1589T1589-D1602 WeakPolarHBondContact CG2-OD1 3.25Å
1603I48.4Very low46.8Very low41 Ų41104.9 Ų104.921%0.2156%0.558CS.*EExtended strand (participates in β ladder)trans-116134-179.2-58.2-177.5000109.1E1587 C1588 M1590 V1605E1587-I1603 WeakPolarHBondContact CA-O 3.5Å; C1588-I1603 PolarHBondContact N-O 3.46Å; C1588-I1603 PolarHBondContact O-N 3Å; M1590-I1603 HydrophobicContact CB-CD1 3.54Å; M1590-I1603 HydrophobicContact CB-CG1 4.19Å; M1590-I1603 HydrophobicContact CE-CD1 3.68Å; M1590-I1603 HydrophobicContact CG-CD1 4.1Å; M1590-I1603 HydrophobicContact SD-CD1 3.47Å; M1590-I1603 WeakPolarHBondContact SD-CD1 3.38Å; I1603-V1605 HydrophobicContact CG2-CG2 3.93Å
1604R56.5Low46.6Very low138 Ų138105.9 Ų105.952%0.52156%0.564SS.*EExtended strand (participates in β ladder)trans-123.9131.1170.9176.7174.2153.8-170.6-17.9110.5R1585 F1586 E1587 D1606R1585-R1604 VanDerWaalsContact CD-NE 3.34Å; R1585-R1604 HydrophobicContact CG-CG 4.25Å; R1585-R1604 VanDerWaalsContact NE-NH2 3.19Å; F1586-R1604 WeakPolarHBondContact O-CA 3.33Å; E1587-R1604 HydrophobicContact CG-CB 4.15Å; E1587-R1604 HydrophobicContact CG-CG 3.92Å; E1587-R1604 WeakPolarHBondContact OE1-CD 3.19Å; R1604-D1606 IonicContact CZ-OD1 3.2Å; R1604-D1606 IonicContact CZ-OD2 3.7Å; R1604-D1606 IonicContact NE-OD1 2.66Å; R1604-D1606 PolarHBondContact NE-OD1 2.81Å; R1604-D1606 IonicContact NE-OD2 3.38Å; R1604-D1606 IonicContact NH2-OD1 3.87Å; R1604-D1606 IonicContact NH2-OD2 3.6Å; R1604-D1606 PolarHBondContact NH2-OD2 3.13Å; R1604-D1606 VanDerWaalsContact NH2-OD2 3.1Å
1605V52.8Low46.5Very low29 Ų29107.6 Ų107.618%0.17655%0.554CS.*EExtended strand (participates in β ladder)trans-126.7122.9179.7-172.40000109.1F1409 F1586 I1603F1409-V1605 HydrophobicContact CB-CG1 4.43Å; F1409-V1605 HydrophobicContact CD1-CG2 4.43Å; F1409-V1605 HydrophobicContact CD2-CG1 4.14Å; F1409-V1605 HydrophobicContact CD2-CG2 4.08Å; F1409-V1605 HydrophobicContact CE1-CG2 4.09Å; F1409-V1605 HydrophobicContact CE2-CG2 3.73Å; F1409-V1605 HydrophobicContact CG-CG1 4.15Å; F1409-V1605 HydrophobicContact CG-CG2 4.43Å; F1409-V1605 HydrophobicContact CZ-CG2 3.74Å; F1586-V1605 PolarHBondContact N-O 3.29Å; F1586-V1605 PolarHBondContact O-N 3.31Å; I1603-V1605 HydrophobicContact CG2-CG2 3.93Å
1606D55.4Low46.9Very low69 Ų69108.4 Ų108.437%0.36956%0.557SS.*EExtended strand (participates in β ladder)trans-103.3116.4176.3-75.11.4000108.4I1583 R1585 R1604I1583-D1606 HydrophobicContact CG2-CB 3.77Å; R1585-D1606 VanDerWaalsContact CG-OD1 3.26Å; R1585-D1606 WeakPolarHBondContact CG-OD1 3.16Å; R1585-D1606 IonicContact CZ-OD1 2.94Å; R1585-D1606 IonicContact CZ-OD2 2.69Å; R1585-D1606 IonicContact NE-OD1 2.63Å; R1585-D1606 PolarHBondContact NE-OD1 2.78Å; R1585-D1606 IonicContact NE-OD2 2.8Å; R1585-D1606 PolarHBondContact NE-OD2 2.59Å; R1585-D1606 IonicContact NH2-OD1 3.17Å; R1585-D1606 IonicContact NH2-OD2 3.76Å; R1585-D1606 PolarHBondContact NH2-OD2 3.15Å; R1604-D1606 IonicContact CZ-OD1 3.2Å; R1604-D1606 IonicContact CZ-OD2 3.7Å; R1604-D1606 IonicContact NE-OD1 2.66Å; R1604-D1606 PolarHBondContact NE-OD1 2.81Å; R1604-D1606 IonicContact NE-OD2 3.38Å; R1604-D1606 IonicContact NH2-OD1 3.87Å; R1604-D1606 IonicContact NH2-OD2 3.6Å; R1604-D1606 PolarHBondContact NH2-OD2 3.13Å; R1604-D1606 VanDerWaalsContact NH2-OD2 3.1Å
1607C58.2Low47.4Very low23 Ų23105.6 Ų105.616%0.15554%0.535CS..EExtended strand (participates in β ladder)trans-105.9121178.6-63.90000110L1411 I1583 G1584 I1609L1411-C1607 HydrophobicContact CD2-CB 4.15Å; I1583-C1607 CarbonylContact C-O 3.55Å; I1583-C1607 WeakPolarHBondContact CA-O 3.41Å; G1584-C1607 PolarHBondContact N-O 3.42Å; G1584-C1607 PolarHBondContact O-N 3.46Å; C1607-I1609 PolarHBondContact O-N 2.79Å
1608V60.7Low48Very low86 Ų86101.6 Ų101.652%0.52152%0.522SS..EExtended strand (participates in β ladder)trans-73124.3177.2178.70000109.6Q1581 G1610Q1581-V1608 HydrophobicContact CG-CG1 4.13Å; V1608-G1610 PolarHBondContact O-N 3.15Å; V1608-G1610 VanDerWaalsContact O-N 3.15Å
1609I60.5Low48.7Very low10 Ų1096.3 Ų96.35%0.05150%0.504CS..  trans-8394.1176.7-60.2168.4000107.6L1411 I1413 F1423 I1465 P1582 C1607 Q1611L1411-I1609 HydrophobicContact CD2-CG1 4.35Å; I1413-I1609 HydrophobicContact CD1-CG2 3.74Å; F1423-I1609 HydrophobicContact CE1-CD1 3.8Å; F1423-I1609 HydrophobicContact CE1-CG1 4.29Å; F1423-I1609 HydrophobicContact CZ-CD1 4.19Å; I1465-I1609 HydrophobicContact CG1-CD1 4.37Å; I1465-I1609 HydrophobicContact CG2-CD1 3.89Å; P1582-I1609 HydrophobicContact CB-CD1 4.41Å; P1582-I1609 HydrophobicContact CG-CB 4.34Å; P1582-I1609 PolarHBondContact O-N 3.33Å; P1582-I1609 VanDerWaalsContact O-N 3.12Å; C1607-I1609 PolarHBondContact O-N 2.79Å; I1609-Q1611 PolarHBondContact O-N 2.86Å
1610G55.2Low49.3Very low60 Ų6095.4 Ų95.462%0.61950%0.5SS*.  trans-71123.9174.900000111.2V1608 Q1612V1608-G1610 PolarHBondContact O-N 3.15Å; V1608-G1610 VanDerWaalsContact O-N 3.15Å; G1610-Q1612 PolarHBondContact O-N 3.05Å
1611Q41.3Very low49.5Very low101 Ų10194.3 Ų94.347%0.47249%0.494SS..  trans-75.4102.4162.5-76.61768.700107.7M1572 K1576 I1609 I1613M1572-Q1611 VanDerWaalsContact CE-NE2 3.35Å; K1576-Q1611 VanDerWaalsContact CE-NE2 3.28Å; I1609-Q1611 PolarHBondContact O-N 2.86Å; Q1611-I1613 PolarHBondContact O-N 2.6Å
1612Q29.6Very low49.6Very low198 Ų19893.1 Ų93.193%0.92549%0.492SS*.  trans-73.8115.1149.1-84.6-176.1-20.500106G1610G1610-Q1612 PolarHBondContact O-N 3.05Å
1613I25.1Very low49.4Very low223 Ų22388.9 Ų88.9100%1.14447%0.469SS*.  trans-71.50168-64.9175000108.1Q1611Q1611-I1613 PolarHBondContact O-N 2.6Å

Retrieved 1,613 of 1,613 residues in 577.1 ms (Link to these results)

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