A0A3Q0KNC6_SCHMA Loading...

[histone H3]-lysine(4) N-trimethyltransferase

AlphaFold DB , UniProt , Accession A0A3Q0KNC6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,818 aa.

>A0A3Q0KNC6_SCHMA|A0A3Q0KNC6
MSSVRPISFTAAKLLWDPELNPSCRTPLYRVDGIVEGRNEPDPDPVVDPRRPLHFRNFCKKTIVDLPIPSFKIDLYYVGEKPEKEVTFSNLNDNITFKNLEDMCRKFGTIIEAKIYYHPKSQCHLGIGTVVFTSSKSARACVEHLNQTSKMGNIMTVQVDPFGKIRIRLIAEQMADLLPSNSCGQFQLPEKSFANQIHSHIPSDFSSQGSSNCEVSSHNPTPRQSHTSSNLSDHKAVETLPQPHCMTTFKSHLFFKASDKQESDLKTHLRPDKSACVLNDDDISEISCAATHWHREASSNLNIGKSASGVLADQHTLGLEANICVSKKLSSQQDDAKLHESRYCEESLEARIQKLLKLNCVKPVPELKDTQNTPVVSDSNSKVTCNLPVSSEACISTNVRIKSDDLKRFESPSNQVIQKGNTHFDLTKNTRVVTSPSSNRRTLLPTPDGPIENTKTSLFNFHRPPLLKTPYKPVDVQEVIRIIDDVHMVFVDELRGIIHRDITRKLVEGQAFKLFSDWWDSKEQDCRQNHASSHHNTKEESVSSHSVDHPNTSHDSTVPSYQNQSVSGNMSNSSFAPTSVSSSIPVSTMSDSNSVSSNFKLFGLGMFTTLRSALPKIKRKPRPPSPGPIPLNTVASTSKTESLTICQDGQNVNFRSKIDLKLEGSPVWKNRGSLMQKASDTSSSDENNGEVNIRGKVSESSGSESSMEQTDQITSDRVRNRCSPKEHQDKHGYHHVRKRSGTSRLNDKYEYVRSQSKFPSKSSHFSENIRTSDYTSSDNDSELISPSKSFQHIKSRREHARVSDVFSKSDSKSPVGSSLPSDSESSDLSTEPQNNPDEARRFTKPSPDELSEISDFKTDSPNRGRLSLLETSQFESTQNRNSNDSLSSPISSQPECALDSEENEDTQLTVAGKIQKPESSTAFQRSPVSKPVCPVQEVQRRRGRPRKKNQLSPKYSSNFSPQKETFGFEDSLVSTESSSEDDMFKTNDDSSRDFSTCDNIPSKVNQVNHQSNTDWSILRASLEFQPSDFTAIPLTYNSQPSGGSRRKQNLGGLCRNNMALSTVDQNNKYTSFPDTDIPQKMSLISDHRYPLYHSPGFPASVNSRDRDNLKLSEKYLKSDDLDGESTDSASMESVDIVETVECKYMWPESLLTEHNYFRVPEIGSVIHYRSTRKVAKHNLKSKDSFVDGHLTTADNLRKRSWPTDPMYISGDVSDDDSQGSSKWFKLSKRSNVSELRNEEVPGSCKADLKANKLLTDENKKLKYIEAKPETSKVRGSRELASLLAPVPRSEIRRVMGESCGLLKEEMYKRMSGEQGFSRSQPHFQPRSASEEDYILRSIFVFGIDAEDLSFMCEAYQFLLSKCHSPLDINSHENSKQDNYYMNAKVIDPRVVNIINLSHWVEHPPTLAADPITVTTHVNNNGHLVNSRNLWSGRQKPERQRYQDKLLCSKNSTSKLSSVHHKSFARSSDSDDLNSSLSDQPLNYSSDEKHKKDLSNSSVCKKECSPTYSPVNTSYNHKLRLSWPKFDDQILAVANYAASLNENVDAVGDSVDIHLGPAACLPPIHSSGSARTQGYYRMPTEERFRRPWCVGRSLIGEDGRRRPIPLMPATVQAQLGGDAALQAIGENIEERLTEQASEAKKKQLTQFREARSVQRRLLAEFQDIETGDLLKFNQLKFRKKQLIFAKSPIHAWGLIALEPIAAEEMVIEYVGHVVRKGVAELREHQYEAKGIGSSYLFRIDDEFVIDATMCGNNARFINHSCQPNCYAKIIMVESKKKIVIYSKRDINVMEEITYDYKFPYEEDKIPCQCGSSSCRGTLN
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.4Very low49.5Very low246 Ų246140.6 Ų140.6100%1.21279%0.789SS**  0114.30-60.3-176.482.600107.1
2S37.1Very low51.8Low123 Ų123134.4 Ų134.486%0.8677%0.768SS**  trans-150.163.9-159.353.70000112.3
3S41.7Very low53.7Low108 Ų108134.2 Ų134.276%0.75575%0.753SS**  trans-156.62.1172.863.40000116R5S3-R5 VanDerWaalsContact C-N 3.32Å; S3-R5 PolarHBondContact O-N 3.48Å
4V43.1Very low55.5Low143 Ų143129.4 Ų129.487%0.86773%0.725SS**  trans-74.790.2172.1-172.70000107.8
5R43.2Very low56.8Low224 Ų224124.1 Ų124.185%0.84569%0.693SS**  trans-62.5129.3168.5-66.2-174.9-178.5-171.71107.2S3 I7S3-R5 VanDerWaalsContact C-N 3.32Å; S3-R5 PolarHBondContact O-N 3.48Å; R5-I7 PolarHBondContact O-N 3.44Å
6P43Very low57.7Low117 Ų117123.1 Ų123.176%0.7668%0.676SS**  trans-59135.9176.525.1-33.2000109.2S8P6-S8 PolarHBondContact O-N 3.31Å
7I51Low58.9Low138 Ų138118.6 Ų118.671%0.70865%0.651SS**  trans-67.7100.9176.2-59.3170.6000106.7R5 F9R5-I7 PolarHBondContact O-N 3.44Å; I7-F9 HydrophobicContact CG2-CE2 4.43Å; I7-F9 HydrophobicContact CG2-CZ 4.3Å; I7-F9 WeakPolarHBondContact O-CD2 3.39Å; I7-F9 PolarHBondContact O-N 3.24Å; I7-F9 VanDerWaalsContact O-N 3.15Å
8S57.9Low59.9Low103 Ų103114.2 Ų114.272%0.7263%0.629SS**  trans-72.7104.3177.354.80000109.3P6P6-S8 PolarHBondContact O-N 3.31Å
9F58Low60.7Low179 Ų179117.5 Ų117.579%0.78564%0.639SS**  trans-72.5126.1169.8-63.2-85.3000109.5I7I7-F9 HydrophobicContact CG2-CE2 4.43Å; I7-F9 HydrophobicContact CG2-CZ 4.3Å; I7-F9 WeakPolarHBondContact O-CD2 3.39Å; I7-F9 PolarHBondContact O-N 3.24Å; I7-F9 VanDerWaalsContact O-N 3.15Å
10T66.3Low61.2Low98 Ų98119.1 Ų119.160%0.60165%0.646SS**  trans-96.4119.2171.748.90000109.7A12 D32T10-A12 PolarHBondContact O-N 3.21Å; T10-D32 WeakPolarHBondContact CA-OD2 3.24Å; T10-D32 WeakPolarHBondContact CB-OD2 3.32Å; T10-D32 WeakPolarHBondContact CG2-OD2 3.3Å
11A68.2Low61.5Low68 Ų68116.9 Ų116.956%0.56263%0.634SS**  trans-86.587.2-17900000110.3D32A11-D32 PolarHBondContact N-OD1 3.16Å; A11-D32 PolarHBondContact O-N 3.36Å
12A77.1Confident63.4Low66 Ų66110.5 Ų110.555%0.54561%0.611SS.*EExtended strand (participates in β ladder)trans-90.6133175.900000112.4T10 R30 V31T10-A12 PolarHBondContact O-N 3.21Å; A12-R30 CarbonylContact C-O 3.33Å; A12-R30 WeakPolarHBondContact CA-O 3.29Å; A12-V31 HydrophobicContact CB-CG2 3.95Å
13K75.7Confident65.1Low132 Ų132109 Ų10957%0.57460%0.6SS**EExtended strand (participates in β ladder)trans-130.9124.5173.1-175.3176.3-177.2178.70110.6L15 Y29 R30K13-L15 PolarHBondContact O-N 3.32Å; K13-Y29 WeakPolarHBondContact O-CA 3.35Å; K13-R30 PolarHBondContact N-O 3.08Å; K13-R30 PolarHBondContact O-N 3.29Å
14L79.3Confident66Low67 Ų67104.3 Ų104.335%0.35157%0.567SS.*EExtended strand (participates in β ladder)trans-65.9122.4169.9-171.169.3000109.4W16 D17 P27 Y29L14-W16 VanDerWaalsContact CD1-O 3.24Å; L14-W16 WeakPolarHBondContact CD1-O 3.33Å; L14-D17 HydrophobicContact CD2-CB 3.71Å; L14-D17 HydrophobicContact CG-CB 4.42Å; L14-P27 HydrophobicContact CD1-CB 3.78Å; L14-Y29 HydrophobicContact CB-CD1 4.23Å; L14-Y29 HydrophobicContact CB-CE1 4.17Å; L14-Y29 HydrophobicContact CD1-CD1 3.85Å; L14-Y29 HydrophobicContact CD1-CD2 4.4Å; L14-Y29 HydrophobicContact CD1-CE1 3.48Å; L14-Y29 VanDerWaalsContact CD1-CE1 3.48Å; L14-Y29 HydrophobicContact CD1-CE2 4.06Å; L14-Y29 HydrophobicContact CD1-CG 4.3Å; L14-Y29 HydrophobicContact CG-CE1 4.39Å
15L74.6Confident67.4Low49 Ų49108.9 Ų108.926%0.25757%0.569SS.*EExtended strand (participates in β ladder)trans-96.3-42176.4-67-174.3000112K13 L28 R30 V35 P43K13-L15 PolarHBondContact O-N 3.32Å; L15-L28 PolarHBondContact N-O 3.05Å; L15-R30 HydrophobicContact CD1-CB 3.9Å; L15-R30 HydrophobicContact CD2-CB 4.22Å; L15-R30 HydrophobicContact CG-CB 3.94Å; L15-V35 HydrophobicContact CD1-CG1 4.46Å; L15-V35 HydrophobicContact CD1-CG2 3.62Å; L15-P43 HydrophobicContact CD1-CG 4.3Å
16W72.5Confident68.9Low108 Ų108102.8 Ų102.841%0.40956%0.557SS.*EExtended strand (participates in β ladder)trans-121.5124.7172.9-76.7-17.8000110.5L14 C24 P27 L28L14-W16 VanDerWaalsContact CD1-O 3.24Å; L14-W16 WeakPolarHBondContact CD1-O 3.33Å; W16-C24 HydrophobicContact CB-CB 4.13Å; W16-C24 HydrophobicContact CD2-CB 4.35Å; W16-C24 HydrophobicContact CE3-CB 4.36Å; W16-C24 HydrophobicContact CG-CB 4.31Å; W16-P27 VanDerWaalsContact O-CA 3.31Å; W16-P27 WeakPolarHBondContact O-CA 3.41Å; W16-L28 HydrophobicContact CB-CB 3.95Å; W16-L28 HydrophobicContact CD2-CD2 4.3Å; W16-L28 HydrophobicContact CE3-CB 4.21Å; W16-L28 HydrophobicContact CE3-CD2 4.01Å; W16-L28 HydrophobicContact CG-CB 4.43Å; W16-L28 HydrophobicContact CZ3-CD2 4.41Å; W16-L28 PolarHBondContact N-O 3.25Å; W16-L28 PolarHBondContact O-N 3.1Å; W16-L28 VanDerWaalsContact O-N 3.14Å
17D77.9Confident70.6Confident47 Ų47100.2 Ų100.225%0.25154%0.54SS..  trans-107.2114.3173.4-173.5-14.6000108.9L14 E19 L20 N21L14-D17 HydrophobicContact CD2-CB 3.71Å; L14-D17 HydrophobicContact CG-CB 4.42Å; D17-E19 PolarHBondContact O-N 3.37Å; D17-E19 WeakPolarHBondContact OD1-CB 3.35Å; D17-E19 PolarHBondContact OD1-N 3.43Å; D17-L20 HydrophobicContact CB-CB 4.14Å; D17-L20 HydrophobicContact CB-CD1 4.03Å; D17-L20 HydrophobicContact CB-CG 4.22Å; D17-L20 PolarHBondContact O-N 3.42Å; D17-N21 PolarHBondContact O-N 3.12Å
18P76.4Confident71.9Confident39 Ų3995.3 Ų95.325%0.25352%0.515SS..THydrogen-bonded Turntrans-58-27.4175.3-24.735.1000114N21 C24 P27P18-N21 CarbonylContact O-C 3.14Å; P18-C24 WeakPolarHBondContact CA-O 3.39Å; P18-C24 VanDerWaalsContact CB-O 3.23Å; P18-C24 WeakPolarHBondContact CB-O 3.26Å; P18-C24 WeakPolarHBondContact CG-O 3.2Å; P18-P27 HydrophobicContact CG-CB 4.19Å
19E75.8Confident72.8Confident177 Ų17795.9 Ų95.983%0.82750%0.503SS*.THydrogen-bonded Turntrans-75.4-34.8-179-58.2-170.2172.700111.5D17D17-E19 PolarHBondContact O-N 3.37Å; D17-E19 WeakPolarHBondContact OD1-CB 3.35Å; D17-E19 PolarHBondContact OD1-N 3.43Å
20L69.7Low73.7Confident150 Ų15091 Ų9179%0.78548%0.479SS*.THydrogen-bonded Turntrans-80.6-31.7174.1-68.7172.6000112.8D17D17-L20 HydrophobicContact CB-CB 4.14Å; D17-L20 HydrophobicContact CB-CD1 4.03Å; D17-L20 HydrophobicContact CB-CG 4.22Å; D17-L20 PolarHBondContact O-N 3.42Å
21N67.5Low74.1Confident73 Ų7388.7 Ų88.739%0.3946%0.464SS..  trans-137.396.2178-175.93.2000112D17 P18 S23 C24D17-N21 PolarHBondContact O-N 3.12Å; P18-N21 CarbonylContact O-C 3.14Å; N21-S23 PolarHBondContact ND2-OG 2.64Å; N21-S23 VanDerWaalsContact ND2-OG 3.16Å; N21-S23 PolarHBondContact O-N 3.29Å; N21-S23 PolarHBondContact OD1-N 3.1Å; N21-S23 PolarHBondContact OD1-OG 3.35Å; N21-C24 WeakPolarHBondContact O-CB 3.27Å; N21-C24 PolarHBondContact O-N 2.95Å
22P76Confident74.2Confident111 Ų11189.7 Ų89.772%0.72146%0.46SS*.THydrogen-bonded Turntrans-60.3-13-178-26.635.3000116C24P22-C24 VanDerWaalsContact C-N 3.27Å
23S72.8Confident73.7Confident91 Ų9189 Ų8964%0.63646%0.46SS*.THydrogen-bonded Turntrans-71.4-23.3172.165.60000112.8N21 R25N21-S23 PolarHBondContact ND2-OG 2.64Å; N21-S23 VanDerWaalsContact ND2-OG 3.16Å; N21-S23 PolarHBondContact O-N 3.29Å; N21-S23 PolarHBondContact OD1-N 3.1Å; N21-S23 PolarHBondContact OD1-OG 3.35Å; S23-R25 PolarHBondContact O-N 3.48Å
24C61Low73.4Confident10 Ų1088.3 Ų88.37%0.06846%0.461CS..  trans-86.389176-600000109.8W16 P18 N21 P22 T26W16-C24 HydrophobicContact CB-CB 4.13Å; W16-C24 HydrophobicContact CD2-CB 4.35Å; W16-C24 HydrophobicContact CE3-CB 4.36Å; W16-C24 HydrophobicContact CG-CB 4.31Å; P18-C24 WeakPolarHBondContact CA-O 3.39Å; P18-C24 VanDerWaalsContact CB-O 3.23Å; P18-C24 WeakPolarHBondContact CB-O 3.26Å; P18-C24 WeakPolarHBondContact CG-O 3.2Å; N21-C24 WeakPolarHBondContact O-CB 3.27Å; N21-C24 PolarHBondContact O-N 2.95Å; P22-C24 VanDerWaalsContact C-N 3.27Å; C24-T26 PolarHBondContact O-N 3.09Å; C24-T26 VanDerWaalsContact O-N 3.12Å
25R71.2Confident72.9Confident239 Ų23986.6 Ų86.690%0.90245%0.454SS*.  trans-63-19.1-174.4-68.5-172.2179.7-173.60.3115.7S23S23-R25 PolarHBondContact O-N 3.48Å
26T76.1Confident72.1Confident97 Ų9791.9 Ų91.960%0.59548%0.477SS*.SBendtrans-135.5135.5-176.550.60000110C24C24-T26 PolarHBondContact O-N 3.09Å; C24-T26 VanDerWaalsContact O-N 3.12Å
27P78.8Confident71.6Confident62 Ų6290.4 Ų90.440%0.40350%0.495SS..  trans-65137.2176.428.6-33.5000110.3L14 W16 P18 Y29L14-P27 HydrophobicContact CD1-CB 3.78Å; W16-P27 VanDerWaalsContact O-CA 3.31Å; W16-P27 WeakPolarHBondContact O-CA 3.41Å; P18-P27 HydrophobicContact CG-CB 4.19Å; P27-Y29 HydrophobicContact CB-CE2 3.84Å; P27-Y29 HydrophobicContact CG-CE2 4.06Å
28L77.6Confident70.3Confident35 Ų3596.3 Ų96.318%0.18351%0.514CS..EExtended strand (participates in β ladder)trans-115.3128-179.9-172.367.3000109.5L15 W16 V35L15-L28 PolarHBondContact N-O 3.05Å; W16-L28 HydrophobicContact CB-CB 3.95Å; W16-L28 HydrophobicContact CD2-CD2 4.3Å; W16-L28 HydrophobicContact CE3-CB 4.21Å; W16-L28 HydrophobicContact CE3-CD2 4.01Å; W16-L28 HydrophobicContact CG-CB 4.43Å; W16-L28 HydrophobicContact CZ3-CD2 4.41Å; W16-L28 PolarHBondContact N-O 3.25Å; W16-L28 PolarHBondContact O-N 3.1Å; W16-L28 VanDerWaalsContact O-N 3.14Å; L28-V35 HydrophobicContact CD1-CG1 3.75Å; L28-V35 HydrophobicContact CD2-CG1 3.92Å; L28-V35 HydrophobicContact CG-CG1 3.86Å
29Y76.6Confident69Low116 Ų116103.1 Ų103.146%0.45555%0.549SS..EExtended strand (participates in β ladder)trans-114143.6-179.1-59.5-94.5000110.7K13 L14 P27K13-Y29 WeakPolarHBondContact O-CA 3.35Å; L14-Y29 HydrophobicContact CB-CD1 4.23Å; L14-Y29 HydrophobicContact CB-CE1 4.17Å; L14-Y29 HydrophobicContact CD1-CD1 3.85Å; L14-Y29 HydrophobicContact CD1-CD2 4.4Å; L14-Y29 HydrophobicContact CD1-CE1 3.48Å; L14-Y29 VanDerWaalsContact CD1-CE1 3.48Å; L14-Y29 HydrophobicContact CD1-CE2 4.06Å; L14-Y29 HydrophobicContact CD1-CG 4.3Å; L14-Y29 HydrophobicContact CG-CE1 4.39Å; P27-Y29 HydrophobicContact CB-CE2 3.84Å; P27-Y29 HydrophobicContact CG-CE2 4.06Å
30R76.1Confident67.6Low75 Ų75101.5 Ų101.528%0.28354%0.541SS..EExtended strand (participates in β ladder)trans-101.4115.4161-177.3178.4-76-167.4-4.4107.5A12 K13 L15 I34 V35 D42A12-R30 CarbonylContact C-O 3.33Å; A12-R30 WeakPolarHBondContact CA-O 3.29Å; K13-R30 PolarHBondContact N-O 3.08Å; K13-R30 PolarHBondContact O-N 3.29Å; L15-R30 HydrophobicContact CD1-CB 3.9Å; L15-R30 HydrophobicContact CD2-CB 4.22Å; L15-R30 HydrophobicContact CG-CB 3.94Å; R30-I34 CarbonylContact C-O 3.33Å; R30-I34 WeakPolarHBondContact CA-O 3.39Å; R30-V35 HydrophobicContact CB-CG2 3.95Å; R30-V35 HydrophobicContact CG-CG2 4.03Å; R30-D42 IonicContact CZ-OD1 3.3Å; R30-D42 IonicContact CZ-OD2 3.82Å; R30-D42 IonicContact NH2-OD1 3.29Å; R30-D42 PolarHBondContact NH2-OD1 2.97Å; R30-D42 IonicContact NH2-OD2 3.45Å; R30-D42 PolarHBondContact NH2-OD2 3.35Å
31V75.6Confident66.6Low50 Ų50100.1 Ų100.130%0.30354%0.541SS..EExtended strand (participates in β ladder)trans-112.5122.5178.2-177.10000107.7A12 G33 I34A12-V31 HydrophobicContact CB-CG2 3.95Å; V31-G33 PolarHBondContact O-N 3.01Å; V31-I34 PolarHBondContact N-O 3.34Å; V31-I34 PolarHBondContact O-N 3.48Å
32D71Confident65.6Low89 Ų89101.8 Ų101.848%0.47655%0.55SS..THydrogen-bonded Turntrans52.333.3-179.8-60.4-48.8000114T10 A11 I34T10-D32 WeakPolarHBondContact CA-OD2 3.24Å; T10-D32 WeakPolarHBondContact CB-OD2 3.32Å; T10-D32 WeakPolarHBondContact CG2-OD2 3.3Å; A11-D32 PolarHBondContact N-OD1 3.16Å; A11-D32 PolarHBondContact O-N 3.36Å; D32-I34 VanDerWaalsContact C-N 3.32Å; D32-I34 PolarHBondContact O-N 3.27Å
33G66.3Low64.5Low53 Ų5399.1 Ų99.155%0.54653%0.533SS..THydrogen-bonded Turntrans89-16.6-178.300000115V31V31-G33 PolarHBondContact O-N 3.01Å
34I69.6Low63.6Low116 Ų116101.4 Ų101.460%0.59554%0.538SS*.EExtended strand (participates in β ladder)trans-91.3133.8-179.6-57.4176.9000109.7R30 V31 D32 E36R30-I34 CarbonylContact C-O 3.33Å; R30-I34 WeakPolarHBondContact CA-O 3.39Å; V31-I34 PolarHBondContact N-O 3.34Å; V31-I34 PolarHBondContact O-N 3.48Å; D32-I34 VanDerWaalsContact C-N 3.32Å; D32-I34 PolarHBondContact O-N 3.27Å; I34-E36 HydrophobicContact CG2-CG 4.44Å
35V67.4Low63Low32 Ų32105.8 Ų105.819%0.19457%0.566CS.*EExtended strand (participates in β ladder)trans-98.9100.4170.9-178.90000107.5L15 L28 R30L15-V35 HydrophobicContact CD1-CG1 4.46Å; L15-V35 HydrophobicContact CD1-CG2 3.62Å; L28-V35 HydrophobicContact CD1-CG1 3.75Å; L28-V35 HydrophobicContact CD2-CG1 3.92Å; L28-V35 HydrophobicContact CG-CG1 3.86Å; R30-V35 HydrophobicContact CB-CG2 3.95Å; R30-V35 HydrophobicContact CG-CG2 4.03Å
36E58.8Low62.1Low159 Ų159100.9 Ų100.974%0.74356%0.562SS**THydrogen-bonded Turntrans-68.4134.4178.7-64.9-163.9164.200111I34I34-E36 HydrophobicContact CG2-CG 4.44Å
37G62.3Low61.1Low77 Ų7799.5 Ų99.579%0.79455%0.554SS**THydrogen-bonded Turntrans112.9-3.7167.700000117.6
38R49.4Very low59.7Low172 Ų172100 Ų10065%0.64955%0.553SS**  trans-144.2142.8170-69.5-165.5178.9-155.40.7113.9E40R38-E40 VanDerWaalsContact C-N 3.33Å
39N49.8Very low58.6Low182 Ų182104.2 Ų104.297%0.97358%0.582SS**  trans-95.127.8169.7-71.8-27.7000112.2
40E47.1Very low57.7Low143 Ų143109.4 Ų109.467%0.66860%0.601SS**SBendtrans-108.7158.4178.3-81.1-151.5140.300111.7R38R38-E40 VanDerWaalsContact C-N 3.33Å
41P48.6Very low56.4Low120 Ų120113.4 Ų113.478%0.77962%0.616SS**PPolyproline II helixtrans-58.5149.5-171.5-24.134.9000113.6
42D45.4Very low55.2Low109 Ų109115 Ų11558%0.58363%0.628SS**PPolyproline II helixtrans-50.6131.4-177.8-143.124.1000110.8R30R30-D42 IonicContact CZ-OD1 3.3Å; R30-D42 IonicContact CZ-OD2 3.82Å; R30-D42 IonicContact NH2-OD1 3.29Å; R30-D42 PolarHBondContact NH2-OD1 2.97Å; R30-D42 IonicContact NH2-OD2 3.45Å; R30-D42 PolarHBondContact NH2-OD2 3.35Å
43P53Low54.3Low55 Ų55116.9 Ų116.936%0.35764%0.637SS.*PPolyproline II helixtrans-61.5153.7-173.324.8-34.4000111.8L15L15-P43 HydrophobicContact CD1-CG 4.3Å
44D53.2Low53.9Low139 Ų139122.4 Ų122.474%0.74365%0.648SS**SBendtrans-38.5129.9-175.8-89.7-42000112.6V46D44-V46 PolarHBondContact O-N 3.08Å
45P49.9Very low52.9Low102 Ų102123.3 Ų123.366%0.66265%0.648SS**  trans-57.8138-171.924-34.8000110.7V47P45-V47 WeakPolarHBondContact O-CG2 3.37Å; P45-V47 PolarHBondContact O-N 3.31Å
46V51.4Low52.2Low135 Ų135127.5 Ų127.582%0.81866%0.66SS**  trans-49.8103.8-176.8-179.90000110.6D44D44-V46 PolarHBondContact O-N 3.08Å
47V54.4Low51.8Low69 Ų69125.8 Ų125.842%0.41866%0.656SS.*  trans-86.7131.9178.2-173.20000108.6P45 P49P45-V47 WeakPolarHBondContact O-CG2 3.37Å; P45-V47 PolarHBondContact O-N 3.31Å; V47-P49 VanDerWaalsContact O-CD 3.28Å; V47-P49 WeakPolarHBondContact O-CD 3.35Å; V47-P49 VanDerWaalsContact O-N 3.13Å
48D50.7Low51.3Low71 Ų71131 Ų13138%0.3866%0.658SS.*  trans-56.7113.4171.61776.7000110.2R50 R51D48-R50 PolarHBondContact O-N 2.83Å; D48-R50 VanDerWaalsContact O-N 3.11Å; D48-R50 VanDerWaalsContact OD1-CB 3.29Å; D48-R50 WeakPolarHBondContact OD1-CB 3.48Å; D48-R50 WeakPolarHBondContact OD1-CG 3.2Å; D48-R50 PolarHBondContact OD1-N 2.96Å; D48-R51 HydrophobicContact CB-CG 4.49Å; D48-R51 PolarHBondContact O-N 3.04Å
49P54.3Low51Low125 Ų125125.5 Ų125.581%0.81265%0.645SS**THydrogen-bonded Turntrans-67.1-12.6-177.228.6-35.4000112.7V47 R51V47-P49 VanDerWaalsContact O-CD 3.28Å; V47-P49 WeakPolarHBondContact O-CD 3.35Å; V47-P49 VanDerWaalsContact O-N 3.13Å; P49-R51 PolarHBondContact O-N 3.13Å
50R58Low50.7Low225 Ų225125.1 Ų125.185%0.84964%0.635SS**THydrogen-bonded Turntrans-78.1-2.6176.8-55176.8-171.81643.7113.2D48D48-R50 PolarHBondContact O-N 2.83Å; D48-R50 VanDerWaalsContact O-N 3.11Å; D48-R50 VanDerWaalsContact OD1-CB 3.29Å; D48-R50 WeakPolarHBondContact OD1-CB 3.48Å; D48-R50 WeakPolarHBondContact OD1-CG 3.2Å; D48-R50 PolarHBondContact OD1-N 2.96Å
51R48.8Very low50.8Low159 Ų159125.8 Ų125.860%0.664%0.635SS**SBendtrans-99.3113.5175.3-67.1-165.7-178.8-175.93.4111.5D48 P49D48-R51 HydrophobicContact CB-CG 4.49Å; D48-R51 PolarHBondContact O-N 3.04Å; P49-R51 PolarHBondContact O-N 3.13Å
52P49Very low50.9Low83 Ų83125.7 Ų125.754%0.53963%0.633SS.*  trans-59.1138.2179.4-24.834.3000112.9H54 F55P52-H54 PolarHBondContact O-N 2.88Å; P52-H54 VanDerWaalsContact O-N 3.12Å; P52-F55 PolarHBondContact O-N 3.35Å
53L53.8Low51.1Low128 Ų128127.8 Ų127.867%0.6764%0.642SS**Hα-helixtrans-55.4-33.3-176.7-75.3168.1000113.7F55 R56L53-F55 VanDerWaalsContact C-N 3.26Å; L53-F55 PolarHBondContact O-N 3.12Å; L53-R56 WeakPolarHBondContact O-CB 3.4Å; L53-R56 PolarHBondContact O-N 3.2Å
54H57.8Low51.2Low169 Ų169129.7 Ų129.778%0.78265%0.652SS**Hα-helixtrans-61.9-30.9177.2-74.6-75.5000113.6P52P52-H54 PolarHBondContact O-N 2.88Å; P52-H54 VanDerWaalsContact O-N 3.12Å
55F48.2Very low51Low136 Ų136130 Ų13060%0.59665%0.654SS**Hα-helixtrans-83.4-10.7173.9-79.6-77.8000113.5P52 L53 N57 F58 C59P52-F55 PolarHBondContact O-N 3.35Å; L53-F55 VanDerWaalsContact C-N 3.26Å; L53-F55 PolarHBondContact O-N 3.12Å; F55-N57 VanDerWaalsContact C-N 3.29Å; F55-N57 PolarHBondContact O-N 3.12Å; F55-F58 PolarHBondContact O-N 3.32Å; F55-C59 WeakPolarHBondContact O-CB 3.38Å; F55-C59 PolarHBondContact O-N 2.99Å; F55-C59 PolarHBondContact O-SG 2.97Å; F55-C59 VanDerWaalsContact O-SG 3.37Å
56R52.5Low50.9Low119 Ų119131.6 Ų131.645%0.44966%0.656SS.*Hα-helixtrans-63.5-33.1179.5-167.6172.1175.9175-4.4112.4L53 C59 K60L53-R56 WeakPolarHBondContact O-CB 3.4Å; L53-R56 PolarHBondContact O-N 3.2Å; R56-C59 CarbonylContact O-C 3.56Å; R56-K60 PolarHBondContact O-N 2.8Å
57N51Low51.2Low124 Ų124130.9 Ų130.966%0.66365%0.654SS**Hα-helixtrans-76.7-37.7177.6-73.5-11.8000113.1F55 C59 K60F55-N57 VanDerWaalsContact C-N 3.29Å; F55-N57 PolarHBondContact O-N 3.12Å; N57-C59 VanDerWaalsContact C-N 3.33Å; N57-K60 PolarHBondContact O-N 3.24Å
58F51.1Low51.3Low187 Ų187135 Ų13582%0.8267%0.672SS**Hα-helixtrans-72.8-27171.4-86.9-82.9000112.7F55 K60F55-F58 PolarHBondContact O-N 3.32Å; F58-K60 VanDerWaalsContact C-N 3.28Å; F58-K60 PolarHBondContact O-N 3.01Å
59C42.8Very low51.2Low56 Ų56135.6 Ų135.638%0.37868%0.68SS.*THydrogen-bonded Turntrans-90.529.1173.8-66.10000113.5F55 R56 N57 K61F55-C59 WeakPolarHBondContact O-CB 3.38Å; F55-C59 PolarHBondContact O-N 2.99Å; F55-C59 PolarHBondContact O-SG 2.97Å; F55-C59 VanDerWaalsContact O-SG 3.37Å; R56-C59 CarbonylContact O-C 3.56Å; N57-C59 VanDerWaalsContact C-N 3.33Å; C59-K61 PolarHBondContact O-N 3.33Å
60K43.7Very low51.4Low174 Ų174134.4 Ų134.476%0.75768%0.675SS**  trans-67.261.9150.8-75.4-173.9177.1-178.10109.4R56 N57 F58 T62R56-K60 PolarHBondContact O-N 2.8Å; N57-K60 PolarHBondContact O-N 3.24Å; F58-K60 VanDerWaalsContact C-N 3.28Å; F58-K60 PolarHBondContact O-N 3.01Å; K60-T62 PolarHBondContact O-N 3.46Å
61K49.1Very low51.7Low157 Ų157131.5 Ų131.568%0.68367%0.669SS**  trans-58.4127164.3-64.8-168.2176.6-168.30105.5C59C59-K61 PolarHBondContact O-N 3.33Å
62T50.6Low52.6Low118 Ų118133.4 Ų133.472%0.72468%0.682SS**  trans-45.2146.6158.543.20000108.2K60 V64K60-T62 PolarHBondContact O-N 3.46Å; T62-V64 VanDerWaalsContact C-N 3.26Å; T62-V64 PolarHBondContact O-N 3.38Å
63I49.8Very low53.6Low153 Ų153132.3 Ų132.379%0.78567%0.67SS**  trans-61.3100.4173.3-64.1171.1000106D65I63-D65 PolarHBondContact O-N 3.18Å; I63-D65 VanDerWaalsContact O-N 3.13Å
64V54.3Low54.2Low94 Ų94130.6 Ų130.657%0.5766%0.662SS**  trans-76.4100171.1-179.50000103.5T62 L66T62-V64 VanDerWaalsContact C-N 3.26Å; T62-V64 PolarHBondContact O-N 3.38Å; V64-L66 HydrophobicContact CG1-CD2 3.99Å; V64-L66 HydrophobicContact CG1-CG 4.1Å; V64-L66 PolarHBondContact O-N 2.89Å
65D49.9Very low54.6Low146 Ų146130.8 Ų130.878%0.78167%0.668SS**  trans-6480.5167.7-80.6-20.9000108.1I63I63-D65 PolarHBondContact O-N 3.18Å; I63-D65 VanDerWaalsContact O-N 3.13Å
66L48.7Very low55.6Low136 Ų136133.7 Ų133.771%0.71268%0.676SS**  trans-59.7121.6167.6-69.2168.6000106V64 I68V64-L66 HydrophobicContact CG1-CD2 3.99Å; V64-L66 HydrophobicContact CG1-CG 4.1Å; V64-L66 PolarHBondContact O-N 2.89Å; L66-I68 PolarHBondContact O-N 3.35Å
67P56.5Low56.5Low119 Ų119132.8 Ų132.877%0.77367%0.674SS**  trans-61.9108-177.624-33000108.9
68I56.9Low57.2Low155 Ų155133.7 Ų133.780%0.79568%0.683SS**  trans-58.8122.3178-59.9174.7000107L66 S70L66-I68 PolarHBondContact O-N 3.35Å; I68-S70 PolarHBondContact O-N 2.96Å
69P47.7Very low58.4Low84 Ų84127 Ų12755%0.54567%0.667SS.*  trans-61.2129-176.823-32.4000109.9F71P69-F71 VanDerWaalsContact C-N 3.3Å; P69-F71 HydrophobicContact CG-CE2 3.87Å; P69-F71 HydrophobicContact CG-CZ 4.01Å; P69-F71 VanDerWaalsContact O-CD2 3.28Å; P69-F71 WeakPolarHBondContact O-CD2 3.45Å; P69-F71 PolarHBondContact O-N 3.38Å
70S59Low60.1Low101 Ų101133.2 Ų133.271%0.70669%0.691SS**  trans-7288.4174.5-170.90000109.1I68 K72I68-S70 PolarHBondContact O-N 2.96Å; S70-K72 PolarHBondContact O-N 2.83Å
71F63.5Low61.8Low163 Ų163126.9 Ų126.972%0.71566%0.663SS**  trans-57.3122.2175.7-71.4-81.6000110P69 I73P69-F71 VanDerWaalsContact C-N 3.3Å; P69-F71 HydrophobicContact CG-CE2 3.87Å; P69-F71 HydrophobicContact CG-CZ 4.01Å; P69-F71 VanDerWaalsContact O-CD2 3.28Å; P69-F71 WeakPolarHBondContact O-CD2 3.45Å; P69-F71 PolarHBondContact O-N 3.38Å; F71-I73 PolarHBondContact O-N 3.03Å
72K68.3Low63.4Low200 Ų200121.3 Ų121.387%0.8764%0.643SS**  trans-69.7117.7168.9-72.9-173.8173.7-173.90108S70 D74S70-K72 PolarHBondContact O-N 2.83Å; K72-D74 PolarHBondContact O-N 2.81Å
73I69.8Low65.2Low59 Ų59119.8 Ų119.830%0.30363%0.627SS.*  trans-74.3110.5174.7-63.2146.8000107.3F71 Y77 K81 P82F71-I73 PolarHBondContact O-N 3.03Å; I73-Y77 HydrophobicContact CG1-CD2 4.28Å; I73-Y77 HydrophobicContact CG1-CE2 4.48Å; I73-Y77 HydrophobicContact CG2-CD1 4.1Å; I73-Y77 HydrophobicContact CG2-CD2 4.36Å; I73-Y77 HydrophobicContact CG2-CG 3.82Å; I73-K81 HydrophobicContact CD1-CG 4.34Å; I73-K81 HydrophobicContact CG2-CD 3.94Å; I73-K81 HydrophobicContact CG2-CG 4.02Å; I73-P82 HydrophobicContact CD1-CG 3.62Å
74D67.2Low67.1Low93 Ų93115.5 Ų115.550%0.49760%0.603SS.*  trans-106.1-166.3178.369.54.6000111.3K72 Y76 Y77K72-D74 PolarHBondContact O-N 2.81Å; D74-Y76 PolarHBondContact O-N 2.75Å; D74-Y76 WeakPolarHBondContact OD1-CA 3.34Å; D74-Y76 PolarHBondContact OD1-N 3.24Å; D74-Y77 PolarHBondContact OD1-N 3.49Å
75L66.5Low68.9Low172 Ų172111.7 Ų111.790%0.90158%0.579SS**THydrogen-bonded Turntrans-70.5-13.3179.3-67.9169.8000113.8
76Y67.5Low71.1Confident198 Ų198104.7 Ų104.778%0.77654%0.542SS*.THydrogen-bonded Turntrans-105.37-176.7-55.2-71.5000112.7D74 V78D74-Y76 PolarHBondContact O-N 2.75Å; D74-Y76 WeakPolarHBondContact OD1-CA 3.34Å; D74-Y76 PolarHBondContact OD1-N 3.24Å; Y76-V78 PolarHBondContact O-N 3.05Å; Y76-V78 VanDerWaalsContact O-N 3.15Å
77Y72.2Confident73.3Confident100 Ų10098.3 Ų98.339%0.39251%0.508SS..  trans-63113.4178.2179.7-100.4000111.9I73 D74 G79I73-Y77 HydrophobicContact CG1-CD2 4.28Å; I73-Y77 HydrophobicContact CG1-CE2 4.48Å; I73-Y77 HydrophobicContact CG2-CD1 4.1Å; I73-Y77 HydrophobicContact CG2-CD2 4.36Å; I73-Y77 HydrophobicContact CG2-CG 3.82Å; D74-Y77 PolarHBondContact OD1-N 3.49Å; Y77-G79 WeakPolarHBondContact CE1-O 3.25Å
78V66.4Low75.1Confident143 Ų14392.6 Ų92.687%0.86747%0.471SS*.  trans-89106.8175.6-177.20000109.4Y76Y76-V78 PolarHBondContact O-N 3.05Å; Y76-V78 VanDerWaalsContact O-N 3.15Å
79G75.9Confident76.8Confident47 Ų4786 Ų8649%0.48544%0.439SS..SBendtrans144176.117800000112.5Y77 K81Y77-G79 WeakPolarHBondContact CE1-O 3.25Å; G79-K81 PolarHBondContact O-N 2.9Å
80E77.8Confident78.8Confident186 Ų18686.2 Ų86.287%0.86944%0.436SS*.PPolyproline II helixtrans-72116.9171.8-63.8-171.9159.500109.8
81K79.4Confident80.3Confident41 Ų4181.5 Ų81.518%0.17840%0.403CS..PPolyproline II helixtrans-59.8124.6179.9174172.8-174.4-173.50109.4I73 G79 E83 E85 F162I73-K81 HydrophobicContact CD1-CG 4.34Å; I73-K81 HydrophobicContact CG2-CD 3.94Å; I73-K81 HydrophobicContact CG2-CG 4.02Å; G79-K81 PolarHBondContact O-N 2.9Å; K81-E83 PolarHBondContact O-N 3.3Å; K81-E85 IonicContact NZ-OE2 2.65Å; K81-E85 PolarHBondContact NZ-OE2 3.01Å; K81-F162 HydrophobicContact CB-CD1 4.28Å; K81-F162 HydrophobicContact CB-CD2 4.2Å; K81-F162 HydrophobicContact CB-CE1 3.67Å; K81-F162 HydrophobicContact CB-CE2 3.57Å; K81-F162 HydrophobicContact CB-CZ 3.28Å; K81-F162 HydrophobicContact CD-CD1 3.72Å; K81-F162 HydrophobicContact CD-CD2 4.4Å; K81-F162 HydrophobicContact CD-CE1 3.89Å; K81-F162 HydrophobicContact CD-CG 4Å; K81-F162 HydrophobicContact CD-CZ 4.32Å; K81-F162 HydrophobicContact CG-CE1 4.38Å; K81-F162 HydrophobicContact CG-CZ 4.39Å
82P83.5Confident81.5Confident40 Ų4074.7 Ų74.726%0.2637%0.373SS..PPolyproline II helixtrans-62.6138-178.324.9-35.4000111.8I73 K84I73-P82 HydrophobicContact CD1-CG 3.62Å; P82-K84 HydrophobicContact CB-CG 4.32Å; P82-K84 PolarHBondContact O-N 3.13Å
83E88Confident82.4Confident85 Ų8570.1 Ų70.140%0.39736%0.359SS..SBendtrans-64.457.1179.1-71.3-17516800114.3K81 S135 A138 V159K81-E83 PolarHBondContact O-N 3.3Å; E83-S135 WeakPolarHBondContact O-CA 3.29Å; E83-S135 WeakPolarHBondContact O-CB 3.36Å; E83-A138 WeakPolarHBondContact O-CB 3.04Å; E83-V159 HydrophobicContact CB-CG1 3.64Å; E83-V159 HydrophobicContact CG-CG1 3.86Å
84K90.8Very high83.2Confident64 Ų6472.8 Ų72.828%0.27837%0.373SS..  trans-99.7-20.5179.6-67.3-173.5-174.7-162.10113.1P82 V131 F132 T133P82-K84 HydrophobicContact CB-CG 4.32Å; P82-K84 PolarHBondContact O-N 3.13Å; K84-V131 HydrophobicContact CB-CG1 4.27Å; K84-V131 CarbonylContact O-C 3.55Å; K84-V131 WeakPolarHBondContact O-CA 3.17Å; K84-F132 WeakPolarHBondContact CB-O 3.38Å; K84-F132 WeakPolarHBondContact CD-O 3.17Å; K84-F132 PolarHBondContact O-N 3.43Å; K84-T133 VanDerWaalsContact CE-O 3.23Å; K84-T133 WeakPolarHBondContact CE-O 3.37Å; K84-T133 PolarHBondContact NZ-O 3.42Å
85E91.7Very high84.2Confident13 Ų1368.8 Ų68.86%0.06135%0.352CS..EExtended strand (participates in β ladder)trans-94.1124.4-176.2-174.9169.5-162.600110.3K81 V131 D160 R166K81-E85 IonicContact NZ-OE2 2.65Å; K81-E85 PolarHBondContact NZ-OE2 3.01Å; E85-V131 HydrophobicContact CB-CG2 4.36Å; E85-V131 HydrophobicContact CG-CG2 4.23Å; E85-D160 PolarHBondContact O-N 3.35Å; E85-R166 IonicContact OE1-CZ 3.76Å; E85-R166 IonicContact OE1-NH1 3.64Å; E85-R166 PolarHBondContact OE1-NH1 3.49Å; E85-R166 IonicContact OE1-NH2 3.81Å; E85-R166 PolarHBondContact OE1-NH2 2.68Å
86V95.1Very high85.3Confident0 Ų063.8 Ų63.80%033%0.329CS..EExtended strand (participates in β ladder)trans-119.1128.8-179.8179.40000109.1F88 T129 V130 F132 A138 V142 V157 Q158V86-F88 HydrophobicContact CB-CE2 4.33Å; V86-F88 HydrophobicContact CG1-CD2 4.3Å; V86-F88 HydrophobicContact CG1-CE2 3.75Å; V86-F88 HydrophobicContact CG1-CZ 4.18Å; V86-T129 CarbonylContact O-C 3.54Å; V86-T129 VanDerWaalsContact O-CA 3.25Å; V86-T129 WeakPolarHBondContact O-CA 3.4Å; V86-V130 PolarHBondContact N-O 3.5Å; V86-V130 PolarHBondContact O-N 3.34Å; V86-F132 HydrophobicContact CG2-CD2 4.1Å; V86-F132 HydrophobicContact CG2-CE2 4.04Å; V86-A138 HydrophobicContact CG2-CB 3.71Å; V86-V142 HydrophobicContact CG1-CG2 3.81Å; V86-V142 HydrophobicContact CG2-CG2 4.27Å; V86-V157 HydrophobicContact CG1-CG1 3.42Å; V86-V157 VanDerWaalsContact CG1-CG1 3.42Å; V86-Q158 WeakPolarHBondContact CA-O 3.36Å
87T95.3Very high86.3Confident1 Ų158.8 Ų58.81%0.00631%0.311CS..EExtended strand (participates in β ladder)trans-102.1133.3174.9-64.70000110.5T129 V157 Q158 D160 R166T87-T129 HydrophobicContact CG2-CG2 4.32Å; T87-T129 WeakPolarHBondContact OG1-CG2 3.33Å; T87-V157 WeakPolarHBondContact O-CA 3.43Å; T87-Q158 PolarHBondContact N-O 3.17Å; T87-Q158 PolarHBondContact O-N 2.87Å; T87-D160 VanDerWaalsContact OG1-CB 3.25Å; T87-D160 WeakPolarHBondContact OG1-CB 3.48Å; T87-D160 PolarHBondContact OG1-OD2 2.89Å; T87-R166 HydrophobicContact CG2-CB 3.96Å
88F94.8Very high87.1Confident0 Ų061 Ų610%032%0.323CS..EExtended strand (participates in β ladder)trans-108.1136.7174.9-67.6-101.9000109.1V86 L91 L100 M103 C104 I127 G128 V130 L145 M155 V157V86-F88 HydrophobicContact CB-CE2 4.33Å; V86-F88 HydrophobicContact CG1-CD2 4.3Å; V86-F88 HydrophobicContact CG1-CE2 3.75Å; V86-F88 HydrophobicContact CG1-CZ 4.18Å; F88-L91 HydrophobicContact CB-CD1 3.78Å; F88-L91 HydrophobicContact CB-CD2 3.85Å; F88-L91 HydrophobicContact CB-CG 3.8Å; F88-L91 HydrophobicContact CD1-CD2 3.99Å; F88-L91 HydrophobicContact CG-CD2 4.27Å; F88-L100 HydrophobicContact CD1-CD1 4.35Å; F88-L100 HydrophobicContact CD2-CD1 4.35Å; F88-L100 HydrophobicContact CE1-CD1 4.29Å; F88-L100 HydrophobicContact CE2-CD1 4.31Å; F88-L100 HydrophobicContact CG-CD1 4.4Å; F88-L100 HydrophobicContact CZ-CD1 4.29Å; F88-M103 HydrophobicContact CD1-CE 4.47Å; F88-M103 HydrophobicContact CE1-CE 3.92Å; F88-C104 WeakPolarHBondContact CZ-SG 3.16Å; F88-I127 WeakPolarHBondContact O-CA 3.36Å; F88-G128 PolarHBondContact N-O 2.9Å; F88-G128 PolarHBondContact O-N 3.3Å; F88-V130 HydrophobicContact CD2-CG2 4.22Å; F88-V130 HydrophobicContact CE2-CB 4Å; F88-V130 HydrophobicContact CE2-CG2 3.62Å; F88-V130 HydrophobicContact CZ-CG2 4.4Å; F88-L145 HydrophobicContact CE1-CD1 3.86Å; F88-L145 HydrophobicContact CZ-CD1 4.2Å; F88-M155 HydrophobicContact CD1-SD 3.82Å; F88-M155 HydrophobicContact CE1-SD 4.06Å; F88-V157 HydrophobicContact CD1-CB 4.29Å; F88-V157 HydrophobicContact CD1-CG1 3.85Å; F88-V157 HydrophobicContact CD1-CG2 3.53Å; F88-V157 HydrophobicContact CD2-CG1 4.44Å; F88-V157 HydrophobicContact CE1-CB 4.27Å; F88-V157 HydrophobicContact CE1-CG1 3.53Å; F88-V157 HydrophobicContact CE1-CG2 3.64Å; F88-V157 HydrophobicContact CE2-CG1 4.16Å; F88-V157 HydrophobicContact CG-CG1 4.28Å; F88-V157 HydrophobicContact CG-CG2 4.42Å; F88-V157 HydrophobicContact CZ-CG1 3.69Å
89S91.9Very high88.2Confident16 Ų1658.3 Ų58.311%0.11230%0.304CS..EExtended strand (participates in β ladder)trans-135.6155.3176.341.50000110.6L91 G126 M155 T156S89-L91 PolarHBondContact O-N 3.25Å; S89-G126 CarbonylContact C-O 3.41Å; S89-G126 WeakPolarHBondContact CA-O 3.49Å; S89-M155 WeakPolarHBondContact O-CA 3.38Å; S89-T156 PolarHBondContact N-O 3.07Å; S89-T156 PolarHBondContact O-N 3.44Å; S89-T156 PolarHBondContact O-OG1 2.87Å; S89-T156 PolarHBondContact OG-O 2.97Å; S89-T156 VanDerWaalsContact OG-O 3.04Å; S89-T156 PolarHBondContact OG-OG1 3.43Å
90N90Very high88.9Confident89 Ų8956.1 Ų56.148%0.47628%0.28SS..SBendtrans57.332.5-169.3-160.934.9000114.1G126 N153 I154N90-G126 PolarHBondContact N-O 3.34Å; N90-N153 WeakPolarHBondContact O-CB 3.14Å; N90-I154 PolarHBondContact ND2-O 3.05Å
91L90.6Very high89.5Confident2 Ų249.4 Ų49.41%0.0125%0.249CC..  trans-62.5143.1169.6-68.2-178.8000110.6F88 S89 I95 G126 M155F88-L91 HydrophobicContact CB-CD1 3.78Å; F88-L91 HydrophobicContact CB-CD2 3.85Å; F88-L91 HydrophobicContact CB-CG 3.8Å; F88-L91 HydrophobicContact CD1-CD2 3.99Å; F88-L91 HydrophobicContact CG-CD2 4.27Å; S89-L91 PolarHBondContact O-N 3.25Å; L91-I95 HydrophobicContact CB-CD1 4.35Å; L91-I95 HydrophobicContact CD2-CD1 4.01Å; L91-G126 WeakPolarHBondContact CB-O 3.43Å; L91-G126 PolarHBondContact N-O 3.1Å; L91-G126 WeakPolarHBondContact O-CA 3.4Å; L91-M155 HydrophobicContact CD2-CB 4.32Å; L91-M155 HydrophobicContact CD2-CE 3.61Å; L91-M155 HydrophobicContact CD2-SD 4.04Å
92N89.2Confident90Very high19 Ų1951.5 Ų51.510%0.10226%0.262CS..  trans-74138.6172.2-174.6-66.2000110.7N94 I95 M151 N153N92-N94 PolarHBondContact O-N 2.89Å; N92-N94 WeakPolarHBondContact OD1-CB 3.43Å; N92-N94 PolarHBondContact OD1-N 2.97Å; N92-N94 PolarHBondContact OD1-ND2 2.88Å; N92-I95 HydrophobicContact CB-CD1 4.18Å; N92-I95 HydrophobicContact CB-CG1 4.29Å; N92-I95 VanDerWaalsContact O-CB 3.25Å; N92-I95 WeakPolarHBondContact O-CB 3.42Å; N92-I95 WeakPolarHBondContact O-CG1 3.46Å; N92-I95 PolarHBondContact O-N 2.91Å; N92-M151 HydrophobicContact CB-CB 4.17Å; N92-M151 PolarHBondContact ND2-O 3.4Å; N92-N153 HydrophobicContact CB-CB 4.15Å; N92-N153 PolarHBondContact ND2-OD1 2.93Å
93D87.6Confident90.3Very high105 Ų10550.9 Ų50.956%0.56126%0.256SS*.THydrogen-bonded Turntrans-61.7-17.5-176.6-55.2-16.5000114.8I95 H124D93-I95 PolarHBondContact O-N 3.12Å; D93-H124 WeakPolarHBondContact CA-ND1 3.24Å; D93-H124 HydrophobicContact CB-CB 3.94Å; D93-H124 IonicContact OD1-CE1 3.51Å; D93-H124 IonicContact OD1-CG 3.61Å; D93-H124 IonicContact OD1-ND1 2.66Å; D93-H124 PolarHBondContact OD1-ND1 3.39Å
94N86.1Confident90.5Very high114 Ų11446.8 Ų46.861%0.6124%0.237SC*.THydrogen-bonded Turntrans-76.9-5.5171.8-62.7-74.5000113.4N92 T96 N99N92-N94 PolarHBondContact O-N 2.89Å; N92-N94 WeakPolarHBondContact OD1-CB 3.43Å; N92-N94 PolarHBondContact OD1-N 2.97Å; N92-N94 PolarHBondContact OD1-ND2 2.88Å; N94-T96 PolarHBondContact O-N 3.23Å; N94-N99 PolarHBondContact O-ND2 3.47Å
95I88.5Confident90.6Very high10 Ų1049.8 Ų49.85%0.05125%0.247CC..  trans-82.4103176.7-60.7174.8000108.5L91 N92 D93 N99 L100 I115 K150 M155L91-I95 HydrophobicContact CB-CD1 4.35Å; L91-I95 HydrophobicContact CD2-CD1 4.01Å; N92-I95 HydrophobicContact CB-CD1 4.18Å; N92-I95 HydrophobicContact CB-CG1 4.29Å; N92-I95 VanDerWaalsContact O-CB 3.25Å; N92-I95 WeakPolarHBondContact O-CB 3.42Å; N92-I95 WeakPolarHBondContact O-CG1 3.46Å; N92-I95 PolarHBondContact O-N 2.91Å; D93-I95 PolarHBondContact O-N 3.12Å; I95-N99 HydrophobicContact CG2-CB 4.27Å; I95-L100 HydrophobicContact CG2-CB 4.02Å; I95-I115 HydrophobicContact CG2-CD1 4.38Å; I95-I115 WeakPolarHBondContact O-CD1 3.39Å; I95-K150 HydrophobicContact CD1-CB 4.23Å; I95-M155 HydrophobicContact CD1-CE 4.15Å
96T88.5Confident90.5Very high67 Ų6757.8 Ų57.841%0.41128%0.281SS..  trans-83166.517169.60000111.5N94 K98 N99 L100 I115N94-T96 PolarHBondContact O-N 3.23Å; T96-K98 PolarHBondContact O-N 3.38Å; T96-N99 WeakPolarHBondContact O-CB 3.49Å; T96-N99 PolarHBondContact O-N 3.3Å; T96-N99 PolarHBondContact OG1-OD1 2.92Å; T96-L100 PolarHBondContact O-N 3.23Å; T96-I115 VanDerWaalsContact C-CD1 3.48Å
97F89.3Confident90.4Very high93 Ų9360.1 Ų60.141%0.40829%0.291SS..Hα-helixtrans-48.4-43.4176162.7-90.5000112.9L100 E101 A113F97-L100 PolarHBondContact O-N 2.97Å; F97-E101 WeakPolarHBondContact O-CB 3.37Å; F97-E101 PolarHBondContact O-N 3.19Å; F97-A113 HydrophobicContact CD2-CB 3.98Å; F97-A113 WeakPolarHBondContact CD2-O 3.43Å; F97-A113 HydrophobicContact CE2-CB 3.71Å; F97-A113 WeakPolarHBondContact CE2-O 3.32Å
98K88.5Confident90.2Very high147 Ų14761.1 Ų61.164%0.63930%0.302SS*.Hα-helixtrans-66-43.1178.3-66.3-171.8176.2-174.40112.2T96 L100 E101 D102T96-K98 PolarHBondContact O-N 3.38Å; K98-L100 VanDerWaalsContact C-N 3.29Å; K98-L100 PolarHBondContact O-N 3.29Å; K98-E101 PolarHBondContact O-N 2.72Å; K98-D102 WeakPolarHBondContact O-CB 3.48Å; K98-D102 PolarHBondContact O-N 3Å
99N89.4Confident90Very high86 Ų8665.6 Ų65.646%0.4633%0.33SS..Hα-helixtrans-63.1-37.6178.5-59.90.7000111.2N94 I95 T96 M103N94-N99 PolarHBondContact O-ND2 3.47Å; I95-N99 HydrophobicContact CG2-CB 4.27Å; T96-N99 WeakPolarHBondContact O-CB 3.49Å; T96-N99 PolarHBondContact O-N 3.3Å; T96-N99 PolarHBondContact OG1-OD1 2.92Å; N99-M103 WeakPolarHBondContact O-CB 3.43Å; N99-M103 PolarHBondContact O-N 3.21Å; N99-M103 VanDerWaalsContact O-N 3.12Å
100L90.6Very high90Very high0 Ų066.5 Ų66.50%033%0.333CS..Hα-helixtrans-67.7-46.5174.4-178.859.9000111.3F88 I95 T96 F97 K98 M103 C104 I115 V130F88-L100 HydrophobicContact CD1-CD1 4.35Å; F88-L100 HydrophobicContact CD2-CD1 4.35Å; F88-L100 HydrophobicContact CE1-CD1 4.29Å; F88-L100 HydrophobicContact CE2-CD1 4.31Å; F88-L100 HydrophobicContact CG-CD1 4.4Å; F88-L100 HydrophobicContact CZ-CD1 4.29Å; I95-L100 HydrophobicContact CG2-CB 4.02Å; T96-L100 PolarHBondContact O-N 3.23Å; F97-L100 PolarHBondContact O-N 2.97Å; K98-L100 VanDerWaalsContact C-N 3.29Å; K98-L100 PolarHBondContact O-N 3.29Å; L100-M103 HydrophobicContact CD1-CE 3.67Å; L100-M103 PolarHBondContact O-N 3.11Å; L100-C104 WeakPolarHBondContact O-CB 3.5Å; L100-C104 PolarHBondContact O-N 3.15Å; L100-C104 PolarHBondContact O-SG 2.72Å; L100-I115 HydrophobicContact CB-CD1 4.3Å; L100-I115 HydrophobicContact CD2-CD1 4.08Å; L100-I115 HydrophobicContact CD2-CG1 3.77Å; L100-V130 HydrophobicContact CD1-CG2 4.12Å; L100-V130 HydrophobicContact CD2-CG2 3.95Å; L100-V130 HydrophobicContact CG-CG2 3.85Å
101E91.3Very high89.9Confident46 Ų4666.6 Ų66.622%0.21533%0.333CS..Hα-helixtrans-58.4-49.9176.7-163.2-165.8150.900111.1F97 K98 M103 C104 R105 I110F97-E101 WeakPolarHBondContact O-CB 3.37Å; F97-E101 PolarHBondContact O-N 3.19Å; K98-E101 PolarHBondContact O-N 2.72Å; E101-M103 VanDerWaalsContact C-N 3.34Å; E101-M103 PolarHBondContact O-N 3.26Å; E101-C104 CarbonylContact O-C 3.56Å; E101-C104 PolarHBondContact O-N 2.71Å; E101-C104 VanDerWaalsContact O-N 3.12Å; E101-R105 VanDerWaalsContact O-CB 3.31Å; E101-R105 WeakPolarHBondContact O-CB 3.25Å; E101-R105 PolarHBondContact O-N 3.16Å; E101-R105 IonicContact OE1-CZ 2.97Å; E101-R105 IonicContact OE1-NH1 3.99Å; E101-R105 PolarHBondContact OE1-NH1 3.44Å; E101-R105 IonicContact OE1-NH2 2.72Å; E101-R105 PolarHBondContact OE1-NH2 2.96Å; E101-R105 IonicContact OE2-NH2 2.72Å; E101-I110 HydrophobicContact CB-CD1 4.4Å; E101-I110 HydrophobicContact CG-CD1 3.67Å; E101-I110 VanDerWaalsContact O-CD1 3.3Å; E101-I110 WeakPolarHBondContact O-CD1 3.18Å
102D90.8Very high89.8Confident85 Ų8571.7 Ų71.746%0.45536%0.356SS..Hα-helixtrans-69-28.2-178.1-71.2-28.8000113.8K98 R105K98-D102 WeakPolarHBondContact O-CB 3.48Å; K98-D102 PolarHBondContact O-N 3Å; D102-R105 IonicContact OD1-CZ 2.88Å; D102-R105 VanDerWaalsContact OD1-CZ 3.31Å; D102-R105 IonicContact OD1-NE 3.8Å; D102-R105 PolarHBondContact OD1-NE 3.46Å; D102-R105 IonicContact OD1-NH2 3.47Å; D102-R105 PolarHBondContact OD1-NH2 3.24Å
103M89Confident89.9Confident26 Ų2671.2 Ų71.213%0.12836%0.355CS..Hα-helixtrans-66.6-45.3168.8179.8177.16400111.2F88 N99 L100 E101 L145 K150 M155F88-M103 HydrophobicContact CD1-CE 4.47Å; F88-M103 HydrophobicContact CE1-CE 3.92Å; N99-M103 WeakPolarHBondContact O-CB 3.43Å; N99-M103 PolarHBondContact O-N 3.21Å; N99-M103 VanDerWaalsContact O-N 3.12Å; L100-M103 HydrophobicContact CD1-CE 3.67Å; L100-M103 PolarHBondContact O-N 3.11Å; E101-M103 VanDerWaalsContact C-N 3.34Å; E101-M103 PolarHBondContact O-N 3.26Å; M103-L145 HydrophobicContact CE-CD1 3.79Å; M103-L145 HydrophobicContact CG-CD1 3.88Å; M103-L145 HydrophobicContact CG-CD2 4.16Å; M103-L145 HydrophobicContact SD-CD1 3.86Å; M103-L145 HydrophobicContact SD-CD2 4.08Å; M103-K150 HydrophobicContact SD-CD 4.04Å; M103-K150 VanDerWaalsContact SD-CE 3.58Å; M103-K150 HydrophobicContact SD-CG 3.8Å; M103-M155 HydrophobicContact CE-CE 4.11Å; M103-M155 HydrophobicContact CE-SD 4.06Å; M103-M155 HydrophobicContact SD-CE 4.23Å; M103-M155 HydrophobicContact SD-SD 4.42Å
104C92.4Very high90.2Very high0 Ų070.3 Ų70.30%035%0.346CS..Hα-helixtrans-79.9-25.4-175.6-71.80000113.8F88 L100 E101 K106 F107 I110 V130 F132F88-C104 WeakPolarHBondContact CZ-SG 3.16Å; L100-C104 WeakPolarHBondContact O-CB 3.5Å; L100-C104 PolarHBondContact O-N 3.15Å; L100-C104 PolarHBondContact O-SG 2.72Å; E101-C104 CarbonylContact O-C 3.56Å; E101-C104 PolarHBondContact O-N 2.71Å; E101-C104 VanDerWaalsContact O-N 3.12Å; C104-K106 PolarHBondContact O-N 3.03Å; C104-F107 WeakPolarHBondContact O-CD2 3.28Å; C104-F107 PolarHBondContact O-N 2.9Å; C104-I110 HydrophobicContact CB-CD1 3.64Å; C104-I110 HydrophobicContact CB-CG1 4.38Å; C104-V130 HydrophobicContact CB-CG1 4.16Å; C104-F132 HydrophobicContact CB-CE1 4.39Å; C104-F132 HydrophobicContact CB-CZ 3.92Å
105R92.6Very high90.5Very high126 Ų12665.5 Ų65.548%0.47532%0.321SS..THydrogen-bonded Turntrans-55.7-25.2-179.2-162.4-171.9-55.5-73.82.6112.9E101 D102 F107 I110E101-R105 VanDerWaalsContact O-CB 3.31Å; E101-R105 WeakPolarHBondContact O-CB 3.25Å; E101-R105 PolarHBondContact O-N 3.16Å; E101-R105 IonicContact OE1-CZ 2.97Å; E101-R105 IonicContact OE1-NH1 3.99Å; E101-R105 PolarHBondContact OE1-NH1 3.44Å; E101-R105 IonicContact OE1-NH2 2.72Å; E101-R105 PolarHBondContact OE1-NH2 2.96Å; E101-R105 IonicContact OE2-NH2 2.72Å; D102-R105 IonicContact OD1-CZ 2.88Å; D102-R105 VanDerWaalsContact OD1-CZ 3.31Å; D102-R105 IonicContact OD1-NE 3.8Å; D102-R105 PolarHBondContact OD1-NE 3.46Å; D102-R105 IonicContact OD1-NH2 3.47Å; D102-R105 PolarHBondContact OD1-NH2 3.24Å; R105-F107 VanDerWaalsContact C-N 3.3Å; R105-F107 PolarHBondContact O-N 3.23Å; R105-I110 HydrophobicContact CB-CD1 4.48Å
106K90.1Very high90.7Very high181 Ų18167.3 Ų67.379%0.78733%0.327SS*.THydrogen-bonded Turntrans-67.3-24.8177.2-61.2-172.6-179.9-171.80114C104C104-K106 PolarHBondContact O-N 3.03Å
107F92.3Very high90.9Very high49 Ų4967.6 Ų67.622%0.21532%0.321CS..THydrogen-bonded Turntrans-93.9-22.7-177.1-55-70.9000113C104 R105 F132 S137 C141 H144 L145C104-F107 WeakPolarHBondContact O-CD2 3.28Å; C104-F107 PolarHBondContact O-N 2.9Å; R105-F107 VanDerWaalsContact C-N 3.3Å; R105-F107 PolarHBondContact O-N 3.23Å; F107-F132 HydrophobicContact CB-CE1 4.29Å; F107-F132 HydrophobicContact CB-CZ 4.45Å; F107-S137 WeakPolarHBondContact O-CB 3.48Å; F107-C141 HydrophobicContact CB-CB 3.89Å; F107-C141 HydrophobicContact CD2-CB 3.8Å; F107-C141 HydrophobicContact CG-CB 3.8Å; F107-H144 HydrophobicContact CD1-CB 4.34Å; F107-H144 HydrophobicContact CE1-CB 3.36Å; F107-H144 AromaticContact CE1-CG 3.68Å; F107-H144 HydrophobicContact CZ-CB 3.7Å; F107-L145 HydrophobicContact CE2-CD1 3.75Å; F107-L145 HydrophobicContact CE2-CD2 4.01Å; F107-L145 HydrophobicContact CE2-CG 3.71Å; F107-L145 HydrophobicContact CZ-CD1 4.43Å; F107-L145 HydrophobicContact CZ-CD2 3.97Å; F107-L145 HydrophobicContact CZ-CG 3.88Å
108G90.6Very high90.8Very high23 Ų2363.9 Ų63.924%0.23731%0.305CS..SBendtrans166.1-177.1175.700000112.7
109T90.9Very high90.7Very high93 Ų9360.1 Ų60.157%0.57130%0.295SS*.  trans-73.4130.817744.50000111.1T133T109-T133 PolarHBondContact O-N 3.13Å; T109-T133 PolarHBondContact O-OG1 2.97Å; T109-T133 VanDerWaalsContact OG1-CG2 3.24Å; T109-T133 WeakPolarHBondContact OG1-CG2 3.48Å; T109-T133 PolarHBondContact OG1-OG1 3.34Å
110I91.8Very high90.5Very high35 Ų3563.2 Ų63.218%0.17931%0.305CS..EExtended strand (participates in β ladder)trans-93.2136.8-178.9-62.9164.4000108.5E101 C104 R105 E112 A113 V130 F132E101-I110 HydrophobicContact CB-CD1 4.4Å; E101-I110 HydrophobicContact CG-CD1 3.67Å; E101-I110 VanDerWaalsContact O-CD1 3.3Å; E101-I110 WeakPolarHBondContact O-CD1 3.18Å; C104-I110 HydrophobicContact CB-CD1 3.64Å; C104-I110 HydrophobicContact CB-CG1 4.38Å; R105-I110 HydrophobicContact CB-CD1 4.48Å; I110-E112 WeakPolarHBondContact CG2-O 3.49Å; I110-A113 HydrophobicContact CG2-CB 4.47Å; I110-V130 HydrophobicContact CD1-CG1 4.24Å; I110-V130 HydrophobicContact CG1-CG1 3.96Å; I110-V130 HydrophobicContact CG2-CG1 3.83Å; I110-F132 HydrophobicContact CG1-CD1 4.23Å; I110-F132 HydrophobicContact CG1-CE1 3.98Å
111I88.9Confident90.3Very high92 Ų9266.4 Ų66.447%0.47233%0.327SS..EExtended strand (participates in β ladder)trans-88.2-48.7170.3-65178.9000109.8V131 T133I111-V131 HydrophobicContact CB-CB 4.36Å; I111-V131 HydrophobicContact CB-CG1 4.25Å; I111-V131 HydrophobicContact CD1-CG1 4.31Å; I111-V131 PolarHBondContact N-O 3.18Å; I111-T133 HydrophobicContact CD1-CG2 4.29Å; I111-T133 HydrophobicContact CG1-CG2 3.75Å
112E87.9Confident90Very high108 Ų10869 Ų6951%0.50534%0.339SS..EExtended strand (participates in β ladder)trans-147.9145-175.9-174.3179.1164.100109.5I110 V130 V131I110-E112 WeakPolarHBondContact CG2-O 3.49Å; E112-V130 CarbonylContact O-C 3.55Å; E112-V130 WeakPolarHBondContact O-CA 3.35Å; E112-V131 HydrophobicContact CB-CB 4.35Å; E112-V131 HydrophobicContact CB-CG2 4.43Å; E112-V131 PolarHBondContact N-O 2.98Å; E112-V131 PolarHBondContact O-N 3.01Å
113A91.6Very high89.8Confident10 Ų1068.3 Ų68.38%0.08334%0.341CS..EExtended strand (participates in β ladder)trans-131.2147.5163.700000109.3F97 I110 T129 V130F97-A113 HydrophobicContact CD2-CB 3.98Å; F97-A113 WeakPolarHBondContact CD2-O 3.43Å; F97-A113 HydrophobicContact CE2-CB 3.71Å; F97-A113 WeakPolarHBondContact CE2-O 3.32Å; I110-A113 HydrophobicContact CG2-CB 4.47Å; A113-T129 CarbonylContact C-O 3.45Å; A113-T129 VanDerWaalsContact CA-O 3.29Å; A113-T129 WeakPolarHBondContact CA-O 3.31Å; A113-V130 HydrophobicContact CB-CG2 4.04Å
114K92.6Very high89.8Confident86 Ų8668 Ų6837%0.37434%0.339SS..EExtended strand (participates in β ladder)trans-148.4148.1178.9-171.3163.7-177.6167.50110.7Y116 G128 T129K114-Y116 HydrophobicContact CB-CE2 4.41Å; K114-Y116 HydrophobicContact CD-CE1 4.35Å; K114-Y116 HydrophobicContact CD-CE2 4.49Å; K114-Y116 HydrophobicContact CG-CE2 4.17Å; K114-G128 CarbonylContact O-C 3.49Å; K114-G128 WeakPolarHBondContact O-CA 3.49Å; K114-T129 PolarHBondContact N-O 3.12Å; K114-T129 PolarHBondContact O-N 3.41Å
115I92.6Very high89.7Confident13 Ų1368.7 Ų68.77%0.06734%0.342CS..EExtended strand (participates in β ladder)trans-125.4139175.3-64.1-173.8000107.4I95 T96 L100 Y117 H124I95-I115 HydrophobicContact CG2-CD1 4.38Å; I95-I115 WeakPolarHBondContact O-CD1 3.39Å; T96-I115 VanDerWaalsContact C-CD1 3.48Å; L100-I115 HydrophobicContact CB-CD1 4.3Å; L100-I115 HydrophobicContact CD2-CD1 4.08Å; L100-I115 HydrophobicContact CD2-CG1 3.77Å; I115-Y117 HydrophobicContact CB-CE2 4.02Å; I115-Y117 HydrophobicContact CG2-CD2 4.47Å; I115-Y117 HydrophobicContact CG2-CE1 4.47Å; I115-Y117 HydrophobicContact CG2-CE2 3.74Å; I115-H124 WeakPolarHBondContact CG2-CD2 3.5Å; I115-H124 VanDerWaalsContact CG2-NE2 3.28Å; I115-H124 WeakPolarHBondContact CG2-NE2 3.46Å
116Y92.9Very high89.6Confident48 Ų4863 Ų6319%0.18832%0.323CS..EExtended strand (participates in β ladder)trans-102.8133.6-174.8-66.2-94.6000110.8K114 L125 I127 T129 R166 I170K114-Y116 HydrophobicContact CB-CE2 4.41Å; K114-Y116 HydrophobicContact CD-CE1 4.35Å; K114-Y116 HydrophobicContact CD-CE2 4.49Å; K114-Y116 HydrophobicContact CG-CE2 4.17Å; Y116-L125 WeakPolarHBondContact O-CB 3.39Å; Y116-L125 PolarHBondContact O-N 3.04Å; Y116-I127 HydrophobicContact CD2-CG2 4.08Å; Y116-I127 PolarHBondContact N-O 2.9Å; Y116-T129 HydrophobicContact CE2-CG2 4.27Å; Y116-R166 HydrophobicContact CE2-CG 4.42Å; Y116-R166 VanDerWaalsContact CZ-CD 3.47Å; Y116-R166 VanDerWaalsContact OH-CD 3.26Å; Y116-R166 WeakPolarHBondContact OH-CD 3.46Å; Y116-R166 PolarHBondContact OH-NH1 3.02Å; Y116-I170 HydrophobicContact CD1-CD1 3.5Å; Y116-I170 VanDerWaalsContact CD1-CD1 3.5Å; Y116-I170 HydrophobicContact CD2-CD1 4.33Å; Y116-I170 HydrophobicContact CE1-CD1 3.79Å; Y116-I170 HydrophobicContact CG-CD1 3.81Å
117Y91.9Very high89.8Confident72 Ų7254.5 Ų54.528%0.28229%0.286SS..EExtended strand (participates in β ladder)trans-121.2150.2-179.3-59.3-94.9000109.5I115 C123 H124I115-Y117 HydrophobicContact CB-CE2 4.02Å; I115-Y117 HydrophobicContact CG2-CD2 4.47Å; I115-Y117 HydrophobicContact CG2-CE1 4.47Å; I115-Y117 HydrophobicContact CG2-CE2 3.74Å; Y117-C123 CarbonylContact C-O 3.51Å; Y117-C123 VanDerWaalsContact CA-O 3.27Å; Y117-C123 WeakPolarHBondContact CA-O 3.25Å; Y117-H124 HydrophobicContact CD1-CB 4.1Å; Y117-H124 HydrophobicContact CE1-CB 4.02Å
118H88.1Confident89.8Confident15 Ų1552.1 Ų52.17%0.06928%0.276CS..  trans-71.1127.1177.5-171.1-112.5000110.4K120 S121 Q122 C123 L125 D176H118-K120 VanDerWaalsContact C-N 3.33Å; H118-K120 PolarHBondContact O-N 3.48Å; H118-S121 WeakPolarHBondContact CB-OG 3.46Å; H118-S121 PolarHBondContact ND1-N 2.98Å; H118-S121 PolarHBondContact ND1-OG 2.86Å; H118-Q122 WeakPolarHBondContact O-CA 3.47Å; H118-Q122 PolarHBondContact O-N 3.41Å; H118-C123 PolarHBondContact N-O 3Å; H118-L125 HydrophobicContact CB-CD2 3.69Å; H118-L125 HydrophobicContact CB-CG 4.44Å; H118-D176 IonicContact CE1-OD2 3.55Å; H118-D176 IonicContact NE2-OD1 3.89Å; H118-D176 IonicContact NE2-OD2 3.83Å
119P85.9Confident90Very high68 Ų6851.3 Ų51.344%0.44227%0.266SS..THydrogen-bonded Turntrans-64.2-33.4-169.523.5-35.3000113.8Q122 M174 L177P119-Q122 PolarHBondContact O-NE2 3.38Å; P119-M174 VanDerWaalsContact CD-CE 3.47Å; P119-M174 HydrophobicContact CG-CE 4.26Å; P119-L177 HydrophobicContact CG-CD1 3.55Å
120K85.3Confident90.2Very high151 Ų15146.9 Ų46.966%0.65724%0.239SC*.THydrogen-bonded Turntrans-83.5-49.3-179.6-67.9-178.7-179.5156.40113.4H118 L177H118-K120 VanDerWaalsContact C-N 3.33Å; H118-K120 PolarHBondContact O-N 3.48Å; K120-L177 HydrophobicContact CD-CD2 3.48Å; K120-L177 VanDerWaalsContact CD-CD2 3.48Å; K120-L177 HydrophobicContact CG-CD2 3.98Å
121S87.3Confident90.2Very high68 Ų6846.7 Ų46.748%0.47624%0.239SC..THydrogen-bonded Turntrans-90.2-12.2-174.5550000113.7H118 C123H118-S121 WeakPolarHBondContact CB-OG 3.46Å; H118-S121 PolarHBondContact ND1-N 2.98Å; H118-S121 PolarHBondContact ND1-OG 2.86Å; S121-C123 PolarHBondContact O-N 2.81Å
122Q84.3Confident90.4Very high99 Ų9942.3 Ų42.346%0.46322%0.217SC..  trans56.315.3-174.5-62.7-67.9-4400113.9H118 P119H118-Q122 WeakPolarHBondContact O-CA 3.47Å; H118-Q122 PolarHBondContact O-N 3.41Å; P119-Q122 PolarHBondContact O-NE2 3.38Å
123C86.6Confident90.5Very high72 Ų7239.9 Ų39.949%0.48621%0.21SC..  trans-72.8146.5172.9-59.20000110.5Y117 H118 S121Y117-C123 CarbonylContact C-O 3.51Å; Y117-C123 VanDerWaalsContact CA-O 3.27Å; Y117-C123 WeakPolarHBondContact CA-O 3.25Å; H118-C123 PolarHBondContact N-O 3Å; S121-C123 PolarHBondContact O-N 2.81Å
124H88.8Confident90.4Very high19 Ų1941.9 Ų41.99%0.08822%0.223CC..EExtended strand (participates in β ladder)trans-65.3133.6173.5178.8-98.2000110.4D93 I115 Y117 G126D93-H124 WeakPolarHBondContact CA-ND1 3.24Å; D93-H124 HydrophobicContact CB-CB 3.94Å; D93-H124 IonicContact OD1-CE1 3.51Å; D93-H124 IonicContact OD1-CG 3.61Å; D93-H124 IonicContact OD1-ND1 2.66Å; D93-H124 PolarHBondContact OD1-ND1 3.39Å; I115-H124 WeakPolarHBondContact CG2-CD2 3.5Å; I115-H124 VanDerWaalsContact CG2-NE2 3.28Å; I115-H124 WeakPolarHBondContact CG2-NE2 3.46Å; Y117-H124 HydrophobicContact CD1-CB 4.1Å; Y117-H124 HydrophobicContact CE1-CB 4.02Å; H124-G126 VanDerWaalsContact C-N 3.3Å; H124-G126 VanDerWaalsContact CE1-CA 3.49Å; H124-G126 WeakPolarHBondContact CE1-CA 3.41Å; H124-G126 PolarHBondContact ND1-N 2.95Å; H124-G126 VanDerWaalsContact ND1-N 3.13Å; H124-G126 PolarHBondContact O-N 3.25Å
125L90.5Very high90.2Very high14 Ų1439.1 Ų39.17%0.07321%0.214CC..EExtended strand (participates in β ladder)trans-85.50.4-177.2-65.7176000113.3Y116 H118 I127 Q173 M174Y116-L125 WeakPolarHBondContact O-CB 3.39Å; Y116-L125 PolarHBondContact O-N 3.04Å; H118-L125 HydrophobicContact CB-CD2 3.69Å; H118-L125 HydrophobicContact CB-CG 4.44Å; L125-I127 HydrophobicContact CB-CB 4.42Å; L125-I127 HydrophobicContact CB-CD1 4.17Å; L125-I127 HydrophobicContact CB-CG1 4.37Å; L125-I127 PolarHBondContact O-N 3.38Å; L125-Q173 VanDerWaalsContact CB-OE1 3.31Å; L125-Q173 HydrophobicContact CD2-CB 4.32Å; L125-Q173 VanDerWaalsContact CD2-OE1 3.25Å; L125-Q173 PolarHBondContact O-NE2 2.87Å; L125-Q173 PolarHBondContact O-OE1 3.07Å; L125-M174 HydrophobicContact CD1-CE 3.9Å
126G90.4Very high90.2Very high7 Ų746.4 Ų46.47%0.07225%0.246CC..EExtended strand (participates in β ladder)trans68.510.5-169.400000113.9S89 N90 L91 H124S89-G126 CarbonylContact C-O 3.41Å; S89-G126 WeakPolarHBondContact CA-O 3.49Å; N90-G126 PolarHBondContact N-O 3.34Å; L91-G126 WeakPolarHBondContact CB-O 3.43Å; L91-G126 PolarHBondContact N-O 3.1Å; L91-G126 WeakPolarHBondContact O-CA 3.4Å; H124-G126 VanDerWaalsContact C-N 3.3Å; H124-G126 VanDerWaalsContact CE1-CA 3.49Å; H124-G126 WeakPolarHBondContact CE1-CA 3.41Å; H124-G126 PolarHBondContact ND1-N 2.95Å; H124-G126 VanDerWaalsContact ND1-N 3.13Å; H124-G126 PolarHBondContact O-N 3.25Å
127I93.8Very high90.3Very high2 Ų244.6 Ų44.61%0.0124%0.24CC..EExtended strand (participates in β ladder)trans-114.9130.8-175.5-59.1163000109.7F88 Y116 L125 L169 I170F88-I127 WeakPolarHBondContact O-CA 3.36Å; Y116-I127 HydrophobicContact CD2-CG2 4.08Å; Y116-I127 PolarHBondContact N-O 2.9Å; L125-I127 HydrophobicContact CB-CB 4.42Å; L125-I127 HydrophobicContact CB-CD1 4.17Å; L125-I127 HydrophobicContact CB-CG1 4.37Å; L125-I127 PolarHBondContact O-N 3.38Å; I127-L169 HydrophobicContact CD1-CB 3.65Å; I127-L169 HydrophobicContact CG1-CB 4.29Å; I127-I170 HydrophobicContact CD1-CG1 3.89Å; I127-I170 HydrophobicContact CG2-CG1 4.39Å
128G93.8Very high90.4Very high0 Ų041.2 Ų41.20%023%0.227CC..EExtended strand (participates in β ladder)trans-143.3163.6174.400000112.1F88 K114F88-G128 PolarHBondContact N-O 2.9Å; F88-G128 PolarHBondContact O-N 3.3Å; K114-G128 CarbonylContact O-C 3.49Å; K114-G128 WeakPolarHBondContact O-CA 3.49Å
129T94.4Very high90.6Very high5 Ų546.5 Ų46.53%0.03125%0.246CC..EExtended strand (participates in β ladder)trans-137145.2174.750.20000111.8V86 T87 A113 K114 Y116 R166V86-T129 CarbonylContact O-C 3.54Å; V86-T129 VanDerWaalsContact O-CA 3.25Å; V86-T129 WeakPolarHBondContact O-CA 3.4Å; T87-T129 HydrophobicContact CG2-CG2 4.32Å; T87-T129 WeakPolarHBondContact OG1-CG2 3.33Å; A113-T129 CarbonylContact C-O 3.45Å; A113-T129 VanDerWaalsContact CA-O 3.29Å; A113-T129 WeakPolarHBondContact CA-O 3.31Å; K114-T129 PolarHBondContact N-O 3.12Å; K114-T129 PolarHBondContact O-N 3.41Å; Y116-T129 HydrophobicContact CE2-CG2 4.27Å; T129-R166 HydrophobicContact CG2-CB 4.4Å; T129-R166 HydrophobicContact CG2-CG 4.34Å; T129-R166 PolarHBondContact OG1-NH1 3.04Å
130V94.4Very high91Very high0 Ų044.5 Ų44.50%024%0.235CC..EExtended strand (participates in β ladder)trans-132.7129.9175.3-177.80000108.7V86 F88 L100 C104 I110 E112 A113 F132V86-V130 PolarHBondContact N-O 3.5Å; V86-V130 PolarHBondContact O-N 3.34Å; F88-V130 HydrophobicContact CD2-CG2 4.22Å; F88-V130 HydrophobicContact CE2-CB 4Å; F88-V130 HydrophobicContact CE2-CG2 3.62Å; F88-V130 HydrophobicContact CZ-CG2 4.4Å; L100-V130 HydrophobicContact CD1-CG2 4.12Å; L100-V130 HydrophobicContact CD2-CG2 3.95Å; L100-V130 HydrophobicContact CG-CG2 3.85Å; C104-V130 HydrophobicContact CB-CG1 4.16Å; I110-V130 HydrophobicContact CD1-CG1 4.24Å; I110-V130 HydrophobicContact CG1-CG1 3.96Å; I110-V130 HydrophobicContact CG2-CG1 3.83Å; E112-V130 CarbonylContact O-C 3.55Å; E112-V130 WeakPolarHBondContact O-CA 3.35Å; A113-V130 HydrophobicContact CB-CG2 4.04Å; V130-F132 HydrophobicContact CB-CE2 4.38Å; V130-F132 HydrophobicContact CG1-CD2 4.28Å; V130-F132 HydrophobicContact CG1-CE2 3.86Å; V130-F132 HydrophobicContact CG1-CZ 4.01Å
131V92.1Very high91.4Very high31 Ų3137.3 Ų37.319%0.18820%0.204CC..EExtended strand (participates in β ladder)trans-106.5122.7175-175.10000108.4K84 E85 I111 E112K84-V131 HydrophobicContact CB-CG1 4.27Å; K84-V131 CarbonylContact O-C 3.55Å; K84-V131 WeakPolarHBondContact O-CA 3.17Å; E85-V131 HydrophobicContact CB-CG2 4.36Å; E85-V131 HydrophobicContact CG-CG2 4.23Å; I111-V131 HydrophobicContact CB-CB 4.36Å; I111-V131 HydrophobicContact CB-CG1 4.25Å; I111-V131 HydrophobicContact CD1-CG1 4.31Å; I111-V131 PolarHBondContact N-O 3.18Å; E112-V131 HydrophobicContact CB-CB 4.35Å; E112-V131 HydrophobicContact CB-CG2 4.43Å; E112-V131 PolarHBondContact N-O 2.98Å; E112-V131 PolarHBondContact O-N 3.01Å
132F94.1Very high91.8Very high0 Ų035.2 Ų35.20%019%0.188CC..EExtended strand (participates in β ladder)trans-94.2158.2177.5-71.5-85.9000112.3K84 V86 C104 F107 I110 V130 S134 S137 A138 C141K84-F132 WeakPolarHBondContact CB-O 3.38Å; K84-F132 WeakPolarHBondContact CD-O 3.17Å; K84-F132 PolarHBondContact O-N 3.43Å; V86-F132 HydrophobicContact CG2-CD2 4.1Å; V86-F132 HydrophobicContact CG2-CE2 4.04Å; C104-F132 HydrophobicContact CB-CE1 4.39Å; C104-F132 HydrophobicContact CB-CZ 3.92Å; F107-F132 HydrophobicContact CB-CE1 4.29Å; F107-F132 HydrophobicContact CB-CZ 4.45Å; I110-F132 HydrophobicContact CG1-CD1 4.23Å; I110-F132 HydrophobicContact CG1-CE1 3.98Å; V130-F132 HydrophobicContact CB-CE2 4.38Å; V130-F132 HydrophobicContact CG1-CD2 4.28Å; V130-F132 HydrophobicContact CG1-CE2 3.86Å; V130-F132 HydrophobicContact CG1-CZ 4.01Å; F132-S134 VanDerWaalsContact C-N 3.28Å; F132-S134 PolarHBondContact O-N 2.92Å; F132-S137 WeakPolarHBondContact CB-OG 3.31Å; F132-A138 HydrophobicContact CB-CB 4.4Å; F132-A138 HydrophobicContact CD2-CB 3.88Å; F132-A138 HydrophobicContact CG-CB 4.44Å; F132-C141 HydrophobicContact CE2-CB 3.79Å; F132-C141 HydrophobicContact CZ-CB 3.67Å
133T89Confident92.1Very high58 Ų5837.5 Ų37.536%0.35620%0.199SC..SBendtrans-65.4-32.1170.457.20000112.8K84 T109 I111K84-T133 VanDerWaalsContact CE-O 3.23Å; K84-T133 WeakPolarHBondContact CE-O 3.37Å; K84-T133 PolarHBondContact NZ-O 3.42Å; T109-T133 PolarHBondContact O-N 3.13Å; T109-T133 PolarHBondContact O-OG1 2.97Å; T109-T133 VanDerWaalsContact OG1-CG2 3.24Å; T109-T133 WeakPolarHBondContact OG1-CG2 3.48Å; T109-T133 PolarHBondContact OG1-OG1 3.34Å; I111-T133 HydrophobicContact CD1-CG2 4.29Å; I111-T133 HydrophobicContact CG1-CG2 3.75Å
134S88.7Confident92.3Very high52 Ų5239.6 Ų39.636%0.36420%0.201SC..  trans-125.8138.8-175.1178.80000112.2F132 K136 S137 A138F132-S134 VanDerWaalsContact C-N 3.28Å; F132-S134 PolarHBondContact O-N 2.92Å; S134-K136 PolarHBondContact O-N 2.91Å; S134-K136 PolarHBondContact OG-N 3.01Å; S134-S137 PolarHBondContact O-N 3.36Å; S134-S137 PolarHBondContact O-OG 3.04Å; S134-A138 PolarHBondContact O-N 3.46Å
135S90.2Very high92.5Very high27 Ų2739 Ų3919%0.18920%0.199CC..Hα-helixtrans-69.3-14.8173.5-41.10000112.7E83 R139E83-S135 WeakPolarHBondContact O-CA 3.29Å; E83-S135 WeakPolarHBondContact O-CB 3.36Å; S135-R139 WeakPolarHBondContact O-CG 3.48Å; S135-R139 PolarHBondContact O-N 2.92Å; S135-R139 PolarHBondContact O-NE 3.38Å
136K92.8Very high92.6Very high167 Ų16741 Ų4173%0.72621%0.209SC*.Hα-helixtrans-72.8-41172-171.2176.1-179.6178.50111.2S134 A140S134-K136 PolarHBondContact O-N 2.91Å; S134-K136 PolarHBondContact OG-N 3.01Å; K136-A140 WeakPolarHBondContact O-CB 3.35Å; K136-A140 PolarHBondContact O-N 3.12Å
137S93.9Very high92.6Very high10 Ų1046.5 Ų46.57%0.0723%0.233CC..Hα-helixtrans-73.1-32.7176.848.90000112.6F107 F132 S134 C141F107-S137 WeakPolarHBondContact O-CB 3.48Å; F132-S137 WeakPolarHBondContact CB-OG 3.31Å; S134-S137 PolarHBondContact O-N 3.36Å; S134-S137 PolarHBondContact O-OG 3.04Å; S137-C141 VanDerWaalsContact O-CB 3.25Å; S137-C141 WeakPolarHBondContact O-CB 3.42Å; S137-C141 PolarHBondContact O-N 3.17Å
138A93.4Very high92.4Very high0 Ų048.3 Ų48.30%025%0.245CC..Hα-helixtrans-60.6-49.8171.600000112.3E83 V86 F132 S134 C141 V142E83-A138 WeakPolarHBondContact O-CB 3.04Å; V86-A138 HydrophobicContact CG2-CB 3.71Å; F132-A138 HydrophobicContact CB-CB 4.4Å; F132-A138 HydrophobicContact CD2-CB 3.88Å; F132-A138 HydrophobicContact CG-CB 4.44Å; S134-A138 PolarHBondContact O-N 3.46Å; A138-C141 WeakPolarHBondContact O-CB 3.29Å; A138-C141 PolarHBondContact O-N 2.82Å; A138-V142 PolarHBondContact O-N 2.88Å; A138-V142 VanDerWaalsContact O-N 3.11Å
139R94.1Very high92.1Very high127 Ų12751.3 Ų51.348%0.47927%0.266SS..Hα-helixtrans-63.6-45.5176.7-72.9-177.1-72.6-178.8-3112.5S135 C141 V142 E143 V159S135-R139 WeakPolarHBondContact O-CG 3.48Å; S135-R139 PolarHBondContact O-N 2.92Å; S135-R139 PolarHBondContact O-NE 3.38Å; R139-C141 VanDerWaalsContact C-N 3.28Å; R139-C141 PolarHBondContact O-N 3.39Å; R139-V142 PolarHBondContact O-N 3.25Å; R139-V142 VanDerWaalsContact O-N 3.13Å; R139-E143 WeakPolarHBondContact O-CG 3.48Å; R139-E143 PolarHBondContact O-N 3.48Å; R139-V159 HydrophobicContact CG-CG2 4.28Å
140A93.7Very high91.6Very high25 Ų2555 Ų5521%0.20728%0.281CS..Hα-helixtrans-59.1-38.3174.700000112.6K136 E143 H144K136-A140 WeakPolarHBondContact O-CB 3.35Å; K136-A140 PolarHBondContact O-N 3.12Å; A140-E143 PolarHBondContact O-N 3.02Å; A140-H144 WeakPolarHBondContact O-CB 3.29Å; A140-H144 PolarHBondContact O-N 3.4Å; A140-H144 VanDerWaalsContact O-N 3.12Å; A140-H144 PolarHBondContact O-ND1 3.4Å
141C94Very high91Very high0 Ų061.8 Ų61.80%032%0.315CS..Hα-helixtrans-62.9-43.1175.7-174.20000112F107 F132 S137 A138 R139 L145F107-C141 HydrophobicContact CB-CB 3.89Å; F107-C141 HydrophobicContact CD2-CB 3.8Å; F107-C141 HydrophobicContact CG-CB 3.8Å; F132-C141 HydrophobicContact CE2-CB 3.79Å; F132-C141 HydrophobicContact CZ-CB 3.67Å; S137-C141 VanDerWaalsContact O-CB 3.25Å; S137-C141 WeakPolarHBondContact O-CB 3.42Å; S137-C141 PolarHBondContact O-N 3.17Å; A138-C141 WeakPolarHBondContact O-CB 3.29Å; A138-C141 PolarHBondContact O-N 2.82Å; R139-C141 VanDerWaalsContact C-N 3.28Å; R139-C141 PolarHBondContact O-N 3.39Å; C141-L145 VanDerWaalsContact O-CB 3.29Å; C141-L145 WeakPolarHBondContact O-CB 3.47Å; C141-L145 PolarHBondContact O-N 3.3Å
142V94.2Very high90.5Very high25 Ų2563.1 Ų63.115%0.15233%0.334CS..Hα-helixtrans-63.4-49.2175.1168.30000111.2V86 A138 R139 H144 L145 N146 V157 V159V86-V142 HydrophobicContact CG1-CG2 3.81Å; V86-V142 HydrophobicContact CG2-CG2 4.27Å; A138-V142 PolarHBondContact O-N 2.88Å; A138-V142 VanDerWaalsContact O-N 3.11Å; R139-V142 PolarHBondContact O-N 3.25Å; R139-V142 VanDerWaalsContact O-N 3.13Å; V142-H144 VanDerWaalsContact C-N 3.25Å; V142-H144 PolarHBondContact O-N 2.84Å; V142-L145 PolarHBondContact O-N 2.91Å; V142-N146 HydrophobicContact CG1-CB 4.44Å; V142-N146 WeakPolarHBondContact O-CB 3.27Å; V142-N146 PolarHBondContact O-N 2.78Å; V142-V157 WeakPolarHBondContact CG1-O 3.23Å; V142-V157 HydrophobicContact CG2-CG1 4.04Å; V142-V159 HydrophobicContact CB-CG2 4.43Å; V142-V159 HydrophobicContact CG2-CG2 3.75Å
143E92.3Very high90.2Very high146 Ų14665.6 Ų65.668%0.68235%0.347SS*.Hα-helixtrans-57.3-35.2179.3-72.4165.8-178.500113.3R139 A140R139-E143 WeakPolarHBondContact O-CG 3.48Å; R139-E143 PolarHBondContact O-N 3.48Å; A140-E143 PolarHBondContact O-N 3.02Å
144H90.7Very high90.3Very high117 Ų11767.1 Ų67.154%0.54235%0.353SS..Hα-helixtrans-98.4-18.6-175.1-6978.2000115.2F107 A140 V142 T148F107-H144 HydrophobicContact CD1-CB 4.34Å; F107-H144 HydrophobicContact CE1-CB 3.36Å; F107-H144 AromaticContact CE1-CG 3.68Å; F107-H144 HydrophobicContact CZ-CB 3.7Å; A140-H144 WeakPolarHBondContact O-CB 3.29Å; A140-H144 PolarHBondContact O-N 3.4Å; A140-H144 VanDerWaalsContact O-N 3.12Å; A140-H144 PolarHBondContact O-ND1 3.4Å; V142-H144 VanDerWaalsContact C-N 3.25Å; V142-H144 PolarHBondContact O-N 2.84Å; H144-T148 VanDerWaalsContact O-CG2 3.25Å; H144-T148 WeakPolarHBondContact O-CG2 3.41Å
145L91.7Very high90.4Very high7 Ų764.7 Ų64.74%0.03734%0.336CS..Hα-helixtrans-112.5-23.5-178.5-63.7-174.1000114.4F88 M103 F107 C141 V142 Q147 T148 V157F88-L145 HydrophobicContact CE1-CD1 3.86Å; F88-L145 HydrophobicContact CZ-CD1 4.2Å; M103-L145 HydrophobicContact CE-CD1 3.79Å; M103-L145 HydrophobicContact CG-CD1 3.88Å; M103-L145 HydrophobicContact CG-CD2 4.16Å; M103-L145 HydrophobicContact SD-CD1 3.86Å; M103-L145 HydrophobicContact SD-CD2 4.08Å; F107-L145 HydrophobicContact CE2-CD1 3.75Å; F107-L145 HydrophobicContact CE2-CD2 4.01Å; F107-L145 HydrophobicContact CE2-CG 3.71Å; F107-L145 HydrophobicContact CZ-CD1 4.43Å; F107-L145 HydrophobicContact CZ-CD2 3.97Å; F107-L145 HydrophobicContact CZ-CG 3.88Å; C141-L145 VanDerWaalsContact O-CB 3.29Å; C141-L145 WeakPolarHBondContact O-CB 3.47Å; C141-L145 PolarHBondContact O-N 3.3Å; V142-L145 PolarHBondContact O-N 2.91Å; L145-Q147 PolarHBondContact O-N 2.73Å; L145-T148 WeakPolarHBondContact O-CB 3.43Å; L145-T148 PolarHBondContact O-N 3.35Å; L145-T148 PolarHBondContact O-OG1 2.73Å; L145-V157 HydrophobicContact CB-CG2 4.02Å
146N93.1Very high90.5Very high55 Ų5565.4 Ų65.429%0.29434%0.339SS..THydrogen-bonded Turntrans-61.3133.4177.3-171.632.2000110.2V142 T148 V157V142-N146 HydrophobicContact CG1-CB 4.44Å; V142-N146 WeakPolarHBondContact O-CB 3.27Å; V142-N146 PolarHBondContact O-N 2.78Å; N146-T148 PolarHBondContact O-N 2.97Å; N146-V157 HydrophobicContact CB-CB 4.08Å; N146-V157 WeakPolarHBondContact CB-O 3.47Å; N146-V157 VanDerWaalsContact CG-O 3.27Å; N146-V157 PolarHBondContact OD1-N 2.86Å; N146-V157 PolarHBondContact OD1-O 3.04Å
147Q89.6Confident90.6Very high123 Ų12357.4 Ų57.458%0.57530%0.304SS*.THydrogen-bonded Turntrans61.517.6-173.8-49.9-62.6-800115.1L145 M155L145-Q147 PolarHBondContact O-N 2.73Å; Q147-M155 WeakPolarHBondContact CA-O 3.31Å; Q147-M155 PolarHBondContact N-O 3.32Å
148T90Very high90.5Very high40 Ų4061.1 Ų61.125%0.24532%0.32CS..EExtended strand (participates in β ladder)trans-90.1147.1169.969.50000111.8H144 L145 N146 I154 M155H144-T148 VanDerWaalsContact O-CG2 3.25Å; H144-T148 WeakPolarHBondContact O-CG2 3.41Å; L145-T148 WeakPolarHBondContact O-CB 3.43Å; L145-T148 PolarHBondContact O-N 3.35Å; L145-T148 PolarHBondContact O-OG1 2.73Å; N146-T148 PolarHBondContact O-N 2.97Å; T148-I154 WeakPolarHBondContact O-CA 3.3Å; T148-M155 WeakPolarHBondContact O-CG 3.49Å; T148-M155 PolarHBondContact O-N 3.13Å
149S88.5Confident90.6Very high63 Ų6362.7 Ų62.744%0.44133%0.33SS..EExtended strand (participates in β ladder)trans-86.2131171.9-174.40000111.2G152 N153S149-G152 WeakPolarHBondContact OG-CA 3.47Å; S149-G152 PolarHBondContact OG-O 3.44Å; S149-G152 VanDerWaalsContact OG-O 3.05Å; S149-N153 VanDerWaalsContact CA-O 3.29Å; S149-N153 WeakPolarHBondContact CA-O 3.34Å
150K83Confident90.4Very high81 Ų8156.8 Ų56.835%0.35231%0.308SS..EExtended strand (participates in β ladder)trans-125.4125.2164.5-62.3-65177.2-167.70109.3I95 M103 G152 N153 M155I95-K150 HydrophobicContact CD1-CB 4.23Å; M103-K150 HydrophobicContact SD-CD 4.04Å; M103-K150 VanDerWaalsContact SD-CE 3.58Å; M103-K150 HydrophobicContact SD-CG 3.8Å; K150-G152 PolarHBondContact O-N 3.42Å; K150-G152 VanDerWaalsContact O-N 3.13Å; K150-N153 PolarHBondContact N-O 3.22Å; K150-N153 PolarHBondContact O-N 3.23Å; K150-M155 HydrophobicContact CB-CE 3.57Å; K150-M155 HydrophobicContact CG-CE 3.32Å; K150-M155 HydrophobicContact CG-SD 4.45Å
151M82Confident89.9Confident144 Ų14457.6 Ų57.671%0.70931%0.311SS*.THydrogen-bonded Turntrans54.127-176.8-56.2-52.1-57.200114.2N92N92-M151 HydrophobicContact CB-CB 4.17Å; N92-M151 PolarHBondContact ND2-O 3.4Å
152G81.6Confident89.3Confident58 Ų5862.6 Ų62.660%0.59833%0.333SS*.THydrogen-bonded Turntrans105.7-36.2179.800000113.9S149 K150S149-G152 WeakPolarHBondContact OG-CA 3.47Å; S149-G152 PolarHBondContact OG-O 3.44Å; S149-G152 VanDerWaalsContact OG-O 3.05Å; K150-G152 PolarHBondContact O-N 3.42Å; K150-G152 VanDerWaalsContact O-N 3.13Å
153N88.7Confident88.8Confident52 Ų5261.4 Ų61.428%0.27833%0.326SS..EExtended strand (participates in β ladder)trans-81129-177.4-63.526.2000110.9N90 N92 S149 K150 M155N90-N153 WeakPolarHBondContact O-CB 3.14Å; N92-N153 HydrophobicContact CB-CB 4.15Å; N92-N153 PolarHBondContact ND2-OD1 2.93Å; S149-N153 VanDerWaalsContact CA-O 3.29Å; S149-N153 WeakPolarHBondContact CA-O 3.34Å; K150-N153 PolarHBondContact N-O 3.22Å; K150-N153 PolarHBondContact O-N 3.23Å; N153-M155 PolarHBondContact O-N 3.09Å
154I90.2Very high88.5Confident91 Ų9161.6 Ų61.647%0.46732%0.324SS..EExtended strand (participates in β ladder)trans-78.2111.3170.3-58.3174.3000107.9N90 T148N90-I154 PolarHBondContact ND2-O 3.05Å; T148-I154 WeakPolarHBondContact O-CA 3.3Å
155M91.4Very high88.4Confident1 Ų158.8 Ų58.81%0.00531%0.313CS..EExtended strand (participates in β ladder)trans-88.8142.6-177.764.9178.763.300112.2F88 S89 L91 I95 M103 Q147 T148 K150 N153 V157F88-M155 HydrophobicContact CD1-SD 3.82Å; F88-M155 HydrophobicContact CE1-SD 4.06Å; S89-M155 WeakPolarHBondContact O-CA 3.38Å; L91-M155 HydrophobicContact CD2-CB 4.32Å; L91-M155 HydrophobicContact CD2-CE 3.61Å; L91-M155 HydrophobicContact CD2-SD 4.04Å; I95-M155 HydrophobicContact CD1-CE 4.15Å; M103-M155 HydrophobicContact CE-CE 4.11Å; M103-M155 HydrophobicContact CE-SD 4.06Å; M103-M155 HydrophobicContact SD-CE 4.23Å; M103-M155 HydrophobicContact SD-SD 4.42Å; Q147-M155 WeakPolarHBondContact CA-O 3.31Å; Q147-M155 PolarHBondContact N-O 3.32Å; T148-M155 WeakPolarHBondContact O-CG 3.49Å; T148-M155 PolarHBondContact O-N 3.13Å; K150-M155 HydrophobicContact CB-CE 3.57Å; K150-M155 HydrophobicContact CG-CE 3.32Å; K150-M155 HydrophobicContact CG-SD 4.45Å; N153-M155 PolarHBondContact O-N 3.09Å; M155-V157 HydrophobicContact CB-CG2 4.42Å; M155-V157 HydrophobicContact CG-CG2 3.75Å; M155-V157 HydrophobicContact SD-CG2 3.82Å
156T92.1Very high88.4Confident41 Ų4160.3 Ų60.325%0.25232%0.318SS..EExtended strand (participates in β ladder)trans-99.6122.6169.636.40000109.1S89S89-T156 PolarHBondContact N-O 3.07Å; S89-T156 PolarHBondContact O-N 3.44Å; S89-T156 PolarHBondContact O-OG1 2.87Å; S89-T156 PolarHBondContact OG-O 2.97Å; S89-T156 VanDerWaalsContact OG-O 3.04Å; S89-T156 PolarHBondContact OG-OG1 3.43Å
157V94.3Very high88.2Confident0 Ų062.6 Ų62.60%033%0.329CS..EExtended strand (participates in β ladder)trans-125123.5-173-167.90000108.1V86 T87 F88 V142 L145 N146 M155V86-V157 HydrophobicContact CG1-CG1 3.42Å; V86-V157 VanDerWaalsContact CG1-CG1 3.42Å; T87-V157 WeakPolarHBondContact O-CA 3.43Å; F88-V157 HydrophobicContact CD1-CB 4.29Å; F88-V157 HydrophobicContact CD1-CG1 3.85Å; F88-V157 HydrophobicContact CD1-CG2 3.53Å; F88-V157 HydrophobicContact CD2-CG1 4.44Å; F88-V157 HydrophobicContact CE1-CB 4.27Å; F88-V157 HydrophobicContact CE1-CG1 3.53Å; F88-V157 HydrophobicContact CE1-CG2 3.64Å; F88-V157 HydrophobicContact CE2-CG1 4.16Å; F88-V157 HydrophobicContact CG-CG1 4.28Å; F88-V157 HydrophobicContact CG-CG2 4.42Å; F88-V157 HydrophobicContact CZ-CG1 3.69Å; V142-V157 WeakPolarHBondContact CG1-O 3.23Å; V142-V157 HydrophobicContact CG2-CG1 4.04Å; L145-V157 HydrophobicContact CB-CG2 4.02Å; N146-V157 HydrophobicContact CB-CB 4.08Å; N146-V157 WeakPolarHBondContact CB-O 3.47Å; N146-V157 VanDerWaalsContact CG-O 3.27Å; N146-V157 PolarHBondContact OD1-N 2.86Å; N146-V157 PolarHBondContact OD1-O 3.04Å; M155-V157 HydrophobicContact CB-CG2 4.42Å; M155-V157 HydrophobicContact CG-CG2 3.75Å; M155-V157 HydrophobicContact SD-CG2 3.82Å
158Q92.7Very high88.2Confident87 Ų8764.6 Ų64.641%0.40733%0.331SS..EExtended strand (participates in β ladder)trans-139.8143.8-173.6-66.6-177.8-14.700110.7V86 T87 D160 I165V86-Q158 WeakPolarHBondContact CA-O 3.36Å; T87-Q158 PolarHBondContact N-O 3.17Å; T87-Q158 PolarHBondContact O-N 2.87Å; Q158-D160 PolarHBondContact O-N 3.18Å; Q158-I165 HydrophobicContact CB-CD1 4.34Å
159V94.4Very high88.2Confident34 Ų3464.6 Ų64.621%0.20633%0.33CS..EExtended strand (participates in β ladder)trans-69.5122.9168.4-171.60000107.2E83 R139 V142 P161E83-V159 HydrophobicContact CB-CG1 3.64Å; E83-V159 HydrophobicContact CG-CG1 3.86Å; R139-V159 HydrophobicContact CG-CG2 4.28Å; V142-V159 HydrophobicContact CB-CG2 4.43Å; V142-V159 HydrophobicContact CG2-CG2 3.75Å; V159-P161 WeakPolarHBondContact O-CD 3.45Å
160D90.8Very high88.3Confident3 Ų363 Ų632%0.01632%0.315CS..  trans-129.771.4-171.4-173.714.2000109.8E85 T87 Q158 F162 G163 K164 I165 R166E85-D160 PolarHBondContact O-N 3.35Å; T87-D160 VanDerWaalsContact OG1-CB 3.25Å; T87-D160 WeakPolarHBondContact OG1-CB 3.48Å; T87-D160 PolarHBondContact OG1-OD2 2.89Å; Q158-D160 PolarHBondContact O-N 3.18Å; D160-F162 PolarHBondContact O-N 3.31Å; D160-G163 VanDerWaalsContact CG-CA 3.4Å; D160-G163 PolarHBondContact O-N 3.31Å; D160-G163 VanDerWaalsContact OD1-C 3.29Å; D160-G163 WeakPolarHBondContact OD1-CA 3.47Å; D160-G163 VanDerWaalsContact OD2-C 3.26Å; D160-G163 VanDerWaalsContact OD2-CA 3.22Å; D160-G163 WeakPolarHBondContact OD2-CA 3.41Å; D160-K164 PolarHBondContact OD1-N 2.94Å; D160-I165 HydrophobicContact CB-CB 4.5Å; D160-I165 HydrophobicContact CB-CD1 4.14Å; D160-I165 PolarHBondContact OD1-N 3.32Å; D160-I165 WeakPolarHBondContact OD2-CB 3.37Å; D160-I165 PolarHBondContact OD2-N 3.15Å; D160-R166 PolarHBondContact OD2-N 3.41Å
161P81.8Confident88.4Confident42 Ų4262 Ų6227%0.27332%0.322SS..G310 helixtrans-61.6128.6176.827.5-31.8000108.9V159 G163V159-P161 WeakPolarHBondContact O-CD 3.45Å; P161-G163 VanDerWaalsContact C-N 3.25Å; P161-G163 PolarHBondContact O-N 3.45Å
162F81.7Confident88.7Confident105 Ų10560 Ų6046%0.46131%0.311SS..G310 helixtrans74-2.9-171.8-50.1-84.8000115.6K81 D160 K164K81-F162 HydrophobicContact CB-CD1 4.28Å; K81-F162 HydrophobicContact CB-CD2 4.2Å; K81-F162 HydrophobicContact CB-CE1 3.67Å; K81-F162 HydrophobicContact CB-CE2 3.57Å; K81-F162 HydrophobicContact CB-CZ 3.28Å; K81-F162 HydrophobicContact CD-CD1 3.72Å; K81-F162 HydrophobicContact CD-CD2 4.4Å; K81-F162 HydrophobicContact CD-CE1 3.89Å; K81-F162 HydrophobicContact CD-CG 4Å; K81-F162 HydrophobicContact CD-CZ 4.32Å; K81-F162 HydrophobicContact CG-CE1 4.38Å; K81-F162 HydrophobicContact CG-CZ 4.39Å; D160-F162 PolarHBondContact O-N 3.31Å; F162-K164 HydrophobicContact CB-CG 4.47Å
163G83.6Confident88.7Confident0 Ų061.5 Ų61.50%030%0.303CS..G310 helixtrans70.628.6175.400000114.5D160 P161 I165 R166 I167D160-G163 VanDerWaalsContact CG-CA 3.4Å; D160-G163 PolarHBondContact O-N 3.31Å; D160-G163 VanDerWaalsContact OD1-C 3.29Å; D160-G163 WeakPolarHBondContact OD1-CA 3.47Å; D160-G163 VanDerWaalsContact OD2-C 3.26Å; D160-G163 VanDerWaalsContact OD2-CA 3.22Å; D160-G163 WeakPolarHBondContact OD2-CA 3.41Å; P161-G163 VanDerWaalsContact C-N 3.25Å; P161-G163 PolarHBondContact O-N 3.45Å; G163-I165 VanDerWaalsContact C-N 3.34Å; G163-R166 PolarHBondContact O-N 2.96Å; G163-I167 WeakPolarHBondContact O-CB 3.48Å; G163-I167 WeakPolarHBondContact O-CD1 3.4Å; G163-I167 WeakPolarHBondContact O-CG1 3.34Å; G163-I167 PolarHBondContact O-N 2.86Å
164K86.3Confident88.3Confident150 Ų15061.3 Ų61.365%0.65230%0.301SS*.Hα-helixtrans-63.6-41.4-177.8-66.9-179-178.9177.30111.1D160 F162 R168D160-K164 PolarHBondContact OD1-N 2.94Å; F162-K164 HydrophobicContact CB-CG 4.47Å; K164-R168 WeakPolarHBondContact O-CB 3.48Å; K164-R168 PolarHBondContact O-N 2.81Å; K164-R168 VanDerWaalsContact O-N 3.13Å
165I89.1Confident87.6Confident58 Ų5859.8 Ų59.830%0.29730%0.302SS..Hα-helixtrans-69.4-45.2179.7-57.2158.2000109.2Q158 D160 G163 I167 R168 L169Q158-I165 HydrophobicContact CB-CD1 4.34Å; D160-I165 HydrophobicContact CB-CB 4.5Å; D160-I165 HydrophobicContact CB-CD1 4.14Å; D160-I165 PolarHBondContact OD1-N 3.32Å; D160-I165 WeakPolarHBondContact OD2-CB 3.37Å; D160-I165 PolarHBondContact OD2-N 3.15Å; G163-I165 VanDerWaalsContact C-N 3.34Å; I165-I167 PolarHBondContact O-N 2.93Å; I165-R168 PolarHBondContact O-N 2.79Å; I165-L169 HydrophobicContact CG2-CD1 3.95Å; I165-L169 HydrophobicContact CG2-CG 4.4Å; I165-L169 WeakPolarHBondContact O-CG 3.26Å; I165-L169 PolarHBondContact O-N 2.99Å
166R91.6Very high86.5Confident38 Ų3864.7 Ų64.714%0.14333%0.328CS..Hα-helixtrans-52-53.9171.7169.4-176.157.6-142.7-8.4111.9E85 T87 Y116 T129 D160 G163 R168 L169 I170E85-R166 IonicContact OE1-CZ 3.76Å; E85-R166 IonicContact OE1-NH1 3.64Å; E85-R166 PolarHBondContact OE1-NH1 3.49Å; E85-R166 IonicContact OE1-NH2 3.81Å; E85-R166 PolarHBondContact OE1-NH2 2.68Å; T87-R166 HydrophobicContact CG2-CB 3.96Å; Y116-R166 HydrophobicContact CE2-CG 4.42Å; Y116-R166 VanDerWaalsContact CZ-CD 3.47Å; Y116-R166 VanDerWaalsContact OH-CD 3.26Å; Y116-R166 WeakPolarHBondContact OH-CD 3.46Å; Y116-R166 PolarHBondContact OH-NH1 3.02Å; T129-R166 HydrophobicContact CG2-CB 4.4Å; T129-R166 HydrophobicContact CG2-CG 4.34Å; T129-R166 PolarHBondContact OG1-NH1 3.04Å; D160-R166 PolarHBondContact OD2-N 3.41Å; G163-R166 PolarHBondContact O-N 2.96Å; R166-R168 VanDerWaalsContact C-N 3.29Å; R166-R168 PolarHBondContact O-N 3Å; R166-L169 PolarHBondContact O-N 2.9Å; R166-I170 HydrophobicContact CG-CD1 3.58Å; R166-I170 HydrophobicContact CG-CG1 4.35Å; R166-I170 VanDerWaalsContact O-CG1 3.31Å; R166-I170 WeakPolarHBondContact O-CG1 3.46Å; R166-I170 PolarHBondContact O-N 3.4Å
167I89.2Confident85.1Confident104 Ų10465.3 Ų65.353%0.53333%0.33SS..Hα-helixtrans-60.4-43-175.2-70.9162.1000110.2G163 I165 I170 A171G163-I167 WeakPolarHBondContact O-CB 3.48Å; G163-I167 WeakPolarHBondContact O-CD1 3.4Å; G163-I167 WeakPolarHBondContact O-CG1 3.34Å; G163-I167 PolarHBondContact O-N 2.86Å; I165-I167 PolarHBondContact O-N 2.93Å; I167-I170 PolarHBondContact O-N 3.36Å; I167-A171 WeakPolarHBondContact O-CB 3.46Å; I167-A171 PolarHBondContact O-N 2.74Å
168R90.4Very high83.4Confident165 Ų16571.3 Ų71.362%0.62336%0.361SS*.Hα-helixtrans-60.7-50.6176.3-179.5177.3173.4168.21.9112.3K164 I165 R166 I170 A171 E172K164-R168 WeakPolarHBondContact O-CB 3.48Å; K164-R168 PolarHBondContact O-N 2.81Å; K164-R168 VanDerWaalsContact O-N 3.13Å; I165-R168 PolarHBondContact O-N 2.79Å; R166-R168 VanDerWaalsContact C-N 3.29Å; R166-R168 PolarHBondContact O-N 3Å; R168-I170 VanDerWaalsContact C-N 3.33Å; R168-I170 PolarHBondContact O-N 2.98Å; R168-A171 PolarHBondContact O-N 2.82Å; R168-E172 HydrophobicContact CG-CG 4.44Å; R168-E172 WeakPolarHBondContact CG-OE1 3.49Å; R168-E172 IonicContact CZ-OE1 2.71Å; R168-E172 IonicContact NE-OE1 3.41Å; R168-E172 PolarHBondContact NE-OE1 2.95Å; R168-E172 IonicContact NH2-OE1 3.23Å; R168-E172 PolarHBondContact NH2-OE1 3.32Å; R168-E172 VanDerWaalsContact NH2-OE1 3.11Å; R168-E172 WeakPolarHBondContact O-CG 3.25Å; R168-E172 PolarHBondContact O-N 3.45Å
169L89.7Confident81Confident40 Ų4072.3 Ų72.321%0.20938%0.375CS..Hα-helixtrans-62.8-38.3-179.4-69.8171000112.5I127 I165 R166 Q173I127-L169 HydrophobicContact CD1-CB 3.65Å; I127-L169 HydrophobicContact CG1-CB 4.29Å; I165-L169 HydrophobicContact CG2-CD1 3.95Å; I165-L169 HydrophobicContact CG2-CG 4.4Å; I165-L169 WeakPolarHBondContact O-CG 3.26Å; I165-L169 PolarHBondContact O-N 2.99Å; R166-L169 PolarHBondContact O-N 2.9Å; L169-Q173 PolarHBondContact O-N 3.45Å; L169-Q173 VanDerWaalsContact O-N 3.15Å
170I89.1Confident78.4Confident28 Ų2876 Ų7614%0.14440%0.402CS..Hα-helixtrans-65.4-44174.5-68.3172.4000110.4Y116 I127 R166 I167 R168 Q173 M174Y116-I170 HydrophobicContact CD1-CD1 3.5Å; Y116-I170 VanDerWaalsContact CD1-CD1 3.5Å; Y116-I170 HydrophobicContact CD2-CD1 4.33Å; Y116-I170 HydrophobicContact CE1-CD1 3.79Å; Y116-I170 HydrophobicContact CG-CD1 3.81Å; I127-I170 HydrophobicContact CD1-CG1 3.89Å; I127-I170 HydrophobicContact CG2-CG1 4.39Å; R166-I170 HydrophobicContact CG-CD1 3.58Å; R166-I170 HydrophobicContact CG-CG1 4.35Å; R166-I170 VanDerWaalsContact O-CG1 3.31Å; R166-I170 WeakPolarHBondContact O-CG1 3.46Å; R166-I170 PolarHBondContact O-N 3.4Å; I167-I170 PolarHBondContact O-N 3.36Å; R168-I170 VanDerWaalsContact C-N 3.33Å; R168-I170 PolarHBondContact O-N 2.98Å; I170-Q173 PolarHBondContact O-N 2.92Å; I170-M174 HydrophobicContact CG2-CE 3.79Å; I170-M174 HydrophobicContact CG2-CG 4.26Å; I170-M174 HydrophobicContact CG2-SD 3.77Å; I170-M174 WeakPolarHBondContact O-CB 3.39Å; I170-M174 WeakPolarHBondContact O-CG 3.25Å; I170-M174 PolarHBondContact O-N 3.45Å
171A86.6Confident75.8Confident60 Ų6083.3 Ų83.350%0.49644%0.442SS..Hα-helixtrans-64.6-40.7178.400000112.7I167 R168 Q173 M174 A175I167-A171 WeakPolarHBondContact O-CB 3.46Å; I167-A171 PolarHBondContact O-N 2.74Å; R168-A171 PolarHBondContact O-N 2.82Å; A171-Q173 VanDerWaalsContact C-N 3.32Å; A171-Q173 PolarHBondContact O-N 2.97Å; A171-M174 PolarHBondContact O-N 3.48Å; A171-A175 PolarHBondContact O-N 3.46Å
172E87.1Confident73.3Confident103 Ų10386.9 Ų86.948%0.48147%0.467SS..Hα-helixtrans-62.6-36.6175.7-73.9172.6178.100111.8R168R168-E172 HydrophobicContact CG-CG 4.44Å; R168-E172 WeakPolarHBondContact CG-OE1 3.49Å; R168-E172 IonicContact CZ-OE1 2.71Å; R168-E172 IonicContact NE-OE1 3.41Å; R168-E172 PolarHBondContact NE-OE1 2.95Å; R168-E172 IonicContact NH2-OE1 3.23Å; R168-E172 PolarHBondContact NH2-OE1 3.32Å; R168-E172 VanDerWaalsContact NH2-OE1 3.11Å; R168-E172 WeakPolarHBondContact O-CG 3.25Å; R168-E172 PolarHBondContact O-N 3.45Å
173Q82.8Confident70.7Confident89 Ų8987.8 Ų87.842%0.41649%0.486SS..Hα-helixtrans-83.8-16.6176-68.5-167.322.700115.2L125 L169 I170 A171L125-Q173 VanDerWaalsContact CB-OE1 3.31Å; L125-Q173 HydrophobicContact CD2-CB 4.32Å; L125-Q173 VanDerWaalsContact CD2-OE1 3.25Å; L125-Q173 PolarHBondContact O-NE2 2.87Å; L125-Q173 PolarHBondContact O-OE1 3.07Å; L169-Q173 PolarHBondContact O-N 3.45Å; L169-Q173 VanDerWaalsContact O-N 3.15Å; I170-Q173 PolarHBondContact O-N 2.92Å; A171-Q173 VanDerWaalsContact C-N 3.32Å; A171-Q173 PolarHBondContact O-N 2.97Å
174M80.3Confident68.2Low49 Ų4990.6 Ų90.624%0.24152%0.515CS..THydrogen-bonded Turntrans-10012.3177.5-70.2-169.4-17900113.5P119 L125 I170 A171 D176 L177P119-M174 VanDerWaalsContact CD-CE 3.47Å; P119-M174 HydrophobicContact CG-CE 4.26Å; L125-M174 HydrophobicContact CD1-CE 3.9Å; I170-M174 HydrophobicContact CG2-CE 3.79Å; I170-M174 HydrophobicContact CG2-CG 4.26Å; I170-M174 HydrophobicContact CG2-SD 3.77Å; I170-M174 WeakPolarHBondContact O-CB 3.39Å; I170-M174 WeakPolarHBondContact O-CG 3.25Å; I170-M174 PolarHBondContact O-N 3.45Å; A171-M174 PolarHBondContact O-N 3.48Å; M174-D176 PolarHBondContact O-N 2.77Å; M174-L177 HydrophobicContact CB-CD1 4.01Å; M174-L177 HydrophobicContact CB-CG 4.32Å; M174-L177 HydrophobicContact CG-CD1 4.01Å; M174-L177 VanDerWaalsContact O-CB 3.31Å; M174-L177 WeakPolarHBondContact O-CB 3.44Å; M174-L177 PolarHBondContact O-N 3.12Å; M174-L177 HydrophobicContact SD-CD1 4.09Å
175A75.3Confident65.3Low59 Ų5992.2 Ų92.249%0.48852%0.524SS..G310 helixtrans-62.6-23.9-178.100000113.5A171 L177 L178A171-A175 PolarHBondContact O-N 3.46Å; A175-L177 VanDerWaalsContact C-N 3.25Å; A175-L177 PolarHBondContact O-N 2.97Å; A175-L178 PolarHBondContact O-N 3.02Å
176D67.8Low62.1Low104 Ų10499.4 Ų99.456%0.55655%0.554SS**G310 helixtrans-70.9-16.8173.573.2-48.5000113.7H118 M174H118-D176 IonicContact CE1-OD2 3.55Å; H118-D176 IonicContact NE2-OD1 3.89Å; H118-D176 IonicContact NE2-OD2 3.83Å; M174-D176 PolarHBondContact O-N 2.77Å
177L63.4Low58.9Low54 Ų54106.1 Ų106.128%0.28359%0.587SS.*G310 helixtrans-82.7-18.2175.1-53.8-174.1000112.7P119 K120 M174 A175P119-L177 HydrophobicContact CG-CD1 3.55Å; K120-L177 HydrophobicContact CD-CD2 3.48Å; K120-L177 VanDerWaalsContact CD-CD2 3.48Å; K120-L177 HydrophobicContact CG-CD2 3.98Å; M174-L177 HydrophobicContact CB-CD1 4.01Å; M174-L177 HydrophobicContact CB-CG 4.32Å; M174-L177 HydrophobicContact CG-CD1 4.01Å; M174-L177 VanDerWaalsContact O-CB 3.31Å; M174-L177 WeakPolarHBondContact O-CB 3.44Å; M174-L177 PolarHBondContact O-N 3.12Å; M174-L177 HydrophobicContact SD-CD1 4.09Å; A175-L177 VanDerWaalsContact C-N 3.25Å; A175-L177 PolarHBondContact O-N 2.97Å
178L57.7Low55.7Low125 Ų125109 Ų10965%0.65460%0.603SS**SBendtrans-76.8143.9178.3-67175.1000110.8A175 S180A175-L178 PolarHBondContact O-N 3.02Å; L178-S180 PolarHBondContact O-N 3.09Å; L178-S180 VanDerWaalsContact O-N 3.17Å
179P43Very low52.7Low109 Ų109106.7 Ų106.771%0.70861%0.609SS**  trans-60.5121.4179.9-21.833000111.3N181P179-N181 VanDerWaalsContact C-N 3.33Å; P179-N181 PolarHBondContact O-N 3.41Å
180S39.2Very low49.6Very low111 Ų111113.9 Ų113.978%0.77664%0.641SS**  trans-68.987.5175.660.10000110.7L178 S182L178-S180 PolarHBondContact O-N 3.09Å; L178-S180 VanDerWaalsContact O-N 3.17Å; S180-S182 VanDerWaalsContact C-N 3.3Å; S180-S182 PolarHBondContact O-N 2.71Å
181N36.9Very low46.4Very low157 Ų157122.3 Ų122.384%0.8468%0.677SS**  trans-71.486170.3-83.8-11.7000110P179 C183P179-N181 VanDerWaalsContact C-N 3.33Å; P179-N181 PolarHBondContact O-N 3.41Å; N181-C183 PolarHBondContact O-N 3.44Å
182S28.8Very low43.4Very low116 Ų116125 Ų12581%0.81169%0.692SS**  trans-76.481172.358.20000111.2S180S180-S182 VanDerWaalsContact C-N 3.3Å; S180-S182 PolarHBondContact O-N 2.71Å
183C26.7Very low40.3Very low125 Ų125129.4 Ų129.485%0.84571%0.71SS**  trans-160.9126.4162.9-169.40000113.4N181N181-C183 PolarHBondContact O-N 3.44Å
184G30.2Very low37.6Very low59 Ų59129.8 Ų129.861%0.60873%0.728SS**  trans69.2109.9147.100000118.8F186G184-F186 PolarHBondContact O-N 2.89Å
185Q26Very low35Very low184 Ų184134.4 Ų134.486%0.8675%0.754SS**  trans-60.9121.4162.8-68.6163.6-47.900110.7
186F22.9Very low32.5Very low208 Ų208139.5 Ų139.591%0.91277%0.768SS**  trans-112.699.5158.4-88.4-84.3000108.8G184G184-F186 PolarHBondContact O-N 2.89Å
187Q24.4Very low30.3Very low180 Ų180140.8 Ų140.884%0.84177%0.773SS**  trans-82.7113.2173.9-115.7166.1-19.400109.1
188L21.8Very low28.3Very low165 Ų165146.5 Ų146.586%0.86480%0.798SS**  trans-76.7132.6166.7-98.3146.6000108.9E190L188-E190 PolarHBondContact O-N 2.83Å
189P26.3Very low26.6Very low116 Ų116144.5 Ų144.575%0.75379%0.794SS**  trans-87.6114.9-172.1-3.722.8000111.9
190E25.8Very low25.8Very low191 Ų191148 Ų14889%0.89380%0.801SS**  trans-78.2126.7166.3-67.4-167.6153.900110.5L188 S192L188-E190 PolarHBondContact O-N 2.83Å; E190-S192 PolarHBondContact O-N 2.78Å
191K22.3Very low25.4Very low205 Ų205149.5 Ų149.589%0.89180%0.799SS**  trans-88.498.3178.4-71179177.6176.80110.4
192S23.6Very low25.3Very low117 Ų117146.4 Ų146.482%0.81879%0.787SS**  trans-85.4112.616849.10000111.1E190E190-S192 PolarHBondContact O-N 2.78Å
193F21.1Very low25.6Very low195 Ų195144.6 Ų144.686%0.85577%0.774SS**  trans-96.5113.5166.2-112.1-95000108.5
194A25.6Very low26.1Very low96 Ų96145.7 Ų145.779%0.79377%0.772SS**  trans-141.5128.9169.100000109.4
195N27.1Very low26.4Very low146 Ų146152.6 Ų152.678%0.78179%0.786SS**  trans-81.4127.4-169.8-73.3-27.3000112.7
196Q21.5Very low26.5Very low166 Ų166148.3 Ų148.378%0.77678%0.776SS**  27.5136.3121-90.3-175.83.700121.2
197I21.7Very low26.8Very low131 Ų131143.4 Ų143.467%0.67277%0.768SS**  trans96.9107.3139.2-70.6162.4000118.8
198H22.6Very low26.9Very low174 Ų174144.5 Ų144.581%0.80677%0.773SS**  trans61.8146.5145.4-78.8-115.3000121
199S21.2Very low27.2Very low83 Ų83140.5 Ų140.558%0.5877%0.771SS**  cis-176.2132.1-19.947.10000110.8
200H27Very low27.1Very low183 Ų183140.6 Ų140.685%0.84777%0.774SS**  trans34.7140.3155-61.9-90.9000121.7
201I29.2Very low27.3Very low143 Ų143136.4 Ų136.473%0.73377%0.767SS**  -169160.470.7-79.2178.1000111.2
202P35.9Very low27.4Very low92 Ų92134.4 Ų134.460%0.59777%0.766SS**  trans-130.3-178.5-164.142.1-25.3000119.6H226P202-H226 PolarHBondContact O-CE1 3.11Å; P202-H226 PolarHBondContact O-ND1 3.06Å
203S34.2Very low27.2Very low77 Ų77134.7 Ų134.754%0.53877%0.766SS.*  trans74.5156155.466.50000123.6H226S203-H226 PolarHBondContact OG-ND1 3.13Å
204D37.7Very low27.2Very low148 Ų148134.8 Ų134.879%0.79177%0.769SS**  cis-174.1172.3-29.8-92.8-50.5000115.1
205F36Very low27.1Very low205 Ų205136.7 Ų136.790%0.89977%0.77SS**  trans83.9175.9161.2-86.6-73.2000125.3
206S28.7Very low26.8Very low94 Ų94135 Ų13566%0.65777%0.77SS**  trans-134.7163.6-141.363.30000120.3
207S28.3Very low26.8Very low105 Ų105131.4 Ų131.473%0.73476%0.764SS**  trans61.6113.2147.264.60000123.5
208Q28.1Very low26.9Very low203 Ų203132.8 Ų132.895%0.94977%0.767SS**  179.5150.7129.3-105.4-170.716.900113.2
209G26.8Very low26.9Very low80 Ų80131.4 Ų131.483%0.82577%0.765SS**  trans86.8117.4142.300000120.2
210S25.6Very low27.5Very low118 Ų118132.7 Ų132.783%0.82577%0.772SS**  trans-92140.7167.6550000112.8
211S28.3Very low27.5Very low104 Ų104130.5 Ų130.573%0.72777%0.772SS**  166.7126.3117.961.60000114.3
212N25.4Very low27.5Very low163 Ų163129.3 Ų129.387%0.87277%0.773SS**  trans58.8147.2142.4-62.4-3.1000122.8
213C19.4Very low27.1Very low122 Ų122135.6 Ų135.682%0.82479%0.785SS**  trans-78.9135.2178.338.90000113.6
214E21.9Very low26.9Very low197 Ų197138.6 Ų138.692%0.92179%0.79SS**  trans-151.7170.8139.1-129.7171.3-170.500110.3
215V21.8Very low26.4Very low136 Ų136137 Ų13782%0.82479%0.791SS**  trans-105.9160.5-156.4172.70000112.8
216S21.8Very low26.1Very low110 Ų110132.9 Ų132.977%0.76977%0.774SS**  trans81.3156178.382.60000115.4
217S20.5Very low26.2Very low92 Ų92134.8 Ų134.864%0.64378%0.782SS**  cis-177.5151.2-43.651.40000106.6
218H25.3Very low26.3Very low160 Ų160135.7 Ų135.774%0.74179%0.788SS**  trans86.199.7174.2-59.1-75.3000121.2
219N21.5Very low26.4Very low144 Ų144130.9 Ų130.977%0.7778%0.777SS**  53.6157.2114.8-59.4-7.8000122.4
220P34.8Very low26.6Very low110 Ų110135.1 Ų135.171%0.71478%0.781SS**  -137.8-166.6-61.338-17.7000113.3
221T25.9Very low26.7Very low138 Ų138136.8 Ų136.885%0.84778%0.78SS**  trans117.4149.9156.368.30000119.5
222P29.3Very low26.6Very low118 Ų118137.7 Ų137.777%0.76679%0.786SS**  trans-125.2163.1-152.842.2-28.6000118.1
223R27.7Very low26.6Very low223 Ų223136 Ų13684%0.84278%0.777SS**  trans170.4163.9161.9-100.4172.3-166-111.414.5111.6
224Q29.9Very low27.1Very low141 Ų141139 Ų13966%0.65978%0.779SS**  cis-168.1143.4-25.5-137.6173.7-14.100113.7
225S27.4Very low27.3Very low114 Ų114139.3 Ų139.380%0.79778%0.777SS**  trans72.1151.3147.757.30000125.6
226H30.4Very low27.4Very low118 Ų118137.3 Ų137.355%0.54678%0.775SS.*  trans-118.2169-177.3-53.7-111000113.7P202 S203P202-H226 PolarHBondContact O-CE1 3.11Å; P202-H226 PolarHBondContact O-ND1 3.06Å; S203-H226 PolarHBondContact OG-ND1 3.13Å
227T30.4Very low27.8Very low134 Ų134138.6 Ų138.682%0.82278%0.777SS**  trans-161.1135.9154.139.70000118.3
228S29.6Very low28.1Very low124 Ų124143 Ų14387%0.86779%0.788SS**  trans69.1168.8142.973.10000124.5
229S31.9Very low28.1Very low103 Ų103141.9 Ų141.972%0.7279%0.792SS**  trans-144160.8-150.757.60000116.2
230N30.3Very low28.3Very low169 Ų169142.8 Ų142.890%0.90480%0.797SS**  trans-173.5158.2141-103.1-39.7000116.2
231L26.5Very low28Very low152 Ų152142.9 Ų142.980%0.79680%0.797SS**  trans-90.9152.2-178.6-11175.3000113.9
232S26.3Very low28.2Very low123 Ų123144.2 Ų144.286%0.8679%0.794SS**  -177.6134.7126.133.90000113.2
233D26.3Very low28Very low128 Ų128144.6 Ų144.668%0.68480%0.796SS**  trans-89.4146.9177.6-65.1-80.1000112.7
234H29.1Very low28Very low186 Ų186142.4 Ų142.486%0.86180%0.795SS**  176.4105.3107.7-96.3-69.7000110.6A236H234-A236 PolarHBondContact O-N 3.45Å
235K26.4Very low27.8Very low203 Ų203141.5 Ų141.588%0.88380%0.803SS**  trans-70.5115.4165.1-78.8175.8173174.40109.3V237K235-V237 PolarHBondContact O-N 3.14Å
236A24.1Very low27.6Very low94 Ų94144.2 Ų144.278%0.77781%0.805SS**  trans-69123.2157.400000108H234 E238H234-A236 PolarHBondContact O-N 3.45Å; A236-E238 PolarHBondContact O-N 2.95Å
237V29.4Very low27.5Very low136 Ų136143.8 Ų143.882%0.82481%0.811SS**  trans-75.9117.2174.5173.40000108.1K235 T239K235-V237 PolarHBondContact O-N 3.14Å; V237-T239 PolarHBondContact O-N 2.79Å
238E27.4Very low27.2Very low185 Ų185143.2 Ų143.286%0.86481%0.808SS**  trans-62.7114.2177.1-66.8175.3127.700110.4A236 L240A236-E238 PolarHBondContact O-N 2.95Å; E238-L240 PolarHBondContact O-N 2.92Å
239T25.9Very low26.9Very low136 Ų136146.5 Ų146.583%0.83481%0.806SS**  trans-66.3114.8160.845.40000108.7V237V237-T239 PolarHBondContact O-N 2.79Å
240L25.5Very low26.5Very low164 Ų164149.9 Ų149.986%0.85981%0.808SS**PPolyproline II helixtrans-50.3138.7174.2-86.3155.9000111.5E238E238-L240 PolarHBondContact O-N 2.92Å
241P29Very low26.3Very low112 Ų112145.8 Ų145.873%0.72779%0.793SS**PPolyproline II helixtrans-72.7150.9-173-12.427.3000112.8
242Q28.6Very low26.2Very low166 Ų166146.3 Ų146.378%0.77679%0.791SS**PPolyproline II helixtrans-66.2126.1170.9-69.1-178.7-31.500110.8H244Q242-H244 PolarHBondContact O-N 3.3Å; Q242-H244 VanDerWaalsContact O-N 3.12Å
243P25.7Very low26.1Very low126 Ų126146.7 Ų146.782%0.81878%0.783SS**  trans-79.198.117930.7-33.2000110.8C245P243-C245 PolarHBondContact O-N 2.96Å
244H27.6Very low26Very low177 Ų177148.9 Ų148.982%0.81979%0.786SS**  trans-67.8117.2165.1-78.4-57.2000110.5Q242Q242-H244 PolarHBondContact O-N 3.3Å; Q242-H244 VanDerWaalsContact O-N 3.12Å
245C25.5Very low25.9Very low121 Ų121149.9 Ų149.982%0.81879%0.788SS**  trans-79.2122.7171.2540000110.8P243P243-C245 PolarHBondContact O-N 2.96Å
246M23.4Very low25.6Very low171 Ų171149.4 Ų149.484%0.84279%0.786SS**  trans-144.8152.9161.3-92.3-115.870.100110.9
247T28Very low25.6Very low110 Ų110149 Ų14968%0.67578%0.784SS**  trans-102.8131.8-157.348.60000113.9
248T24.3Very low25.3Very low122 Ų122147.3 Ų147.375%0.74878%0.778SS**  trans23120.7142.255.90000120
249F23.8Very low25.1Very low192 Ų192145.1 Ų145.184%0.84277%0.772SS**  trans-163.5103.9130.8-112.2-85.7000108.3
250K24.4Very low25.3Very low174 Ų174147.6 Ų147.676%0.75777%0.771SS**  74.5103.392.6-115.5-176.3-175.9-177.40115.9
251S25.2Very low25.3Very low84 Ų84147.7 Ų147.759%0.58777%0.767SS**  trans43.2121.7137.358.80000120.5
252H24.5Very low24.9Very low163 Ų163151 Ų15176%0.75577%0.773SS**  172.9137.7101.9-94.4-69.4000114.7
253L23.2Very low24.9Very low131 Ų131148.6 Ų148.669%0.68677%0.774SS**  trans81.4140144.4-67.3165.9000123
254F24.2Very low24.8Very low174 Ų174149.4 Ų149.476%0.76377%0.772SS**  trans63.8118.3167.6-53.8-66.9000117.5
255F26.8Very low24.8Very low206 Ų206149 Ų14990%0.90478%0.775SS**  -144.2155.357.4-114.7-98.4000115.1
256K21.1Very low24.7Very low193 Ų193151.9 Ų151.984%0.83977%0.774SS**  trans-82.2153162.7-70.8174169.3-179.30109.8
257A23.7Very low24.8Very low87 Ų87149.3 Ų149.372%0.71977%0.768SS**  171.2137.7114.300000111.8
258S23.3Very low24.9Very low100 Ų100152.2 Ų152.270%0.69977%0.773SS**  trans50.6152.2139-62.40000121.9
259D24.2Very low24.8Very low138 Ų138154 Ų15474%0.73878%0.777SS**  cis-174.7137.3-23-98.4-44.9000104.5
260K29Very low24.8Very low188 Ų188156.4 Ų156.482%0.81778%0.781SS**  trans-179.4116.6145.6-103.5159.4-175.2-178.10114.2
261Q25.9Very low24.7Very low166 Ų166153.6 Ų153.678%0.77678%0.78SS**  trans63.976.5135.2-63.3-179.9-62.600118.6
262E20.6Very low24.7Very low182 Ų182156.7 Ų156.785%0.8579%0.79SS**  6124.1101.9-172.2174.6-124.200117.3
263S28.3Very low24.6Very low116 Ų116157.7 Ų157.781%0.81179%0.792SS**  trans-158.6120149.466.50000111.3
264D23.5Very low24.6Very low142 Ų142157.4 Ų157.476%0.75980%0.801SS**  trans-71.1145.1-177.1-63-73.4000115.4
265L28.4Very low24.4Very low168 Ų168153.5 Ų153.588%0.8880%0.801SS**  trans-157.9101.1143.7-97131.2000108.9
266K22.8Very low24.2Very low183 Ų183149.7 Ų149.780%0.79680%0.798SS**  77.6138.385.2-109.5176.5-177.7171.70116.5
267T25.2Very low24.3Very low117 Ų117146.2 Ų146.272%0.71879%0.793SS**  trans86.4144.1158.660.30000122.1
268H30.6Very low24.2Very low170 Ų170150.4 Ų150.479%0.78780%0.802SS**  trans75.8108.7-178.2-57.8-79.7000115.7
269L22.3Very low24.2Very low159 Ų159152 Ų15283%0.83280%0.803SS**  cis66.68033.5-65.8168.6000116.2
270R23Very low24.2Very low244 Ų244152 Ų15292%0.92180%0.803SS**  170.1151.3107.8-94179.8175.5179.3-0.7112.1
271P22.9Very low24.1Very low114 Ų114150.1 Ų150.174%0.7480%0.802SS**  trans-111.8126.1179.136.7-24.9000113.8
272D26.1Very low24Very low150 Ų150149.1 Ų149.180%0.80280%0.802SS**  trans-110.6119.7150.1-80.1-49.8000106.8
273K22Very low24.2Very low184 Ų184146.9 Ų146.980%0.879%0.794SS**  64.374.571.5-69.9-175.1174.81790113.8
274S23.2Very low24Very low124 Ų124147.1 Ų147.187%0.86780%0.796SS**  -175.9124.2112.633.30000110.5
275A20.3Very low23.9Very low92 Ų92149 Ų14976%0.7680%0.8SS**  trans-114.7121168.600000108.2
276C22.6Very low23.7Very low126 Ų126148.7 Ų148.785%0.85180%0.798SS**  trans-157.4103.5159.6-76.10000102.9
277V21.8Very low23.7Very low121 Ų121145.4 Ų145.473%0.73380%0.798SS**  50.380.455.5-166.80000111.4
278L22.7Very low23.6Very low174 Ų174146.3 Ų146.391%0.91181%0.808SS**  -133.2128.7126.9-77.2-177.5000107.6
279N24Very low23.2Very low133 Ų133143 Ų14371%0.71181%0.81SS**  trans-91.8146.2169.5-72.9-5000108.7
280D24.4Very low23.1Very low139 Ų139139.6 Ų139.674%0.74380%0.804SS**  trans56.5153.2143-55.1-36.5000121.6
281D25.6Very low23.2Very low149 Ų149134 Ų13480%0.79780%0.798SS**  trans66.689.4167-55.4-29.3000118.3
282D24.7Very low23.2Very low144 Ų144136.8 Ų136.877%0.7780%0.801SS**  -160117.3107-106.4-20.9000114.4
283I23.8Very low22.9Very low135 Ų135140.7 Ų140.769%0.69280%0.804SS**  trans51107.2139.6-53.3163.7000118.7E285I283-E285 HydrophobicContact CG2-CG 4.41Å
284S24.1Very low22.9Very low122 Ų122139.7 Ų139.785%0.85380%0.802SS**  trans-129.665.6157.447.50000112.3I286S284-I286 VanDerWaalsContact C-N 3.35Å; S284-I286 PolarHBondContact O-N 2.83Å
285E22.1Very low22.9Very low180 Ų180144.9 Ų144.984%0.84180%0.803SS**  trans-74.476.6170.5-72.1-165.9136.200112.5I283I283-E285 HydrophobicContact CG2-CG 4.41Å
286I23.3Very low22.9Very low163 Ų163149.1 Ų149.184%0.83681%0.806SS**  trans-140.385.4161.9-48.7178.6000111.2S284S284-I286 VanDerWaalsContact C-N 3.35Å; S284-I286 PolarHBondContact O-N 2.83Å
287S23.6Very low22.7Very low113 Ų113146.9 Ų146.979%0.7980%0.797SS**  trans-151.2121.3148.490.90000111.5A289S287-A289 PolarHBondContact O-N 3.11Å
288C22.8Very low22.7Very low137 Ų137146.8 Ų146.893%0.92680%0.802SS**  trans-76.2106.2-178.6-64.60000111.3
289A21.6Very low22.8Very low101 Ų101143.7 Ų143.784%0.83580%0.795SS**  trans-106.298.3161.300000109.4S287S287-A289 PolarHBondContact O-N 3.11Å
290A22Very low22.7Very low86 Ų86145.5 Ų145.571%0.71181%0.805SS**  trans-88.7155.8173.600000111.4
291T24.3Very low22.6Very low127 Ų127146 Ų14678%0.77981%0.806SS**  trans83.783.1172.571.40000118.4
292H22.7Very low22.4Very low173 Ų173145.5 Ų145.580%0.80180%0.804SS**  -141.5128.5127.7-161.9-92.6000110.1
293W19.6Very low22.3Very low232 Ų232147 Ų14788%0.87981%0.81SS**  trans-93.6126.2-177.4-77.972.1000110.3
294H22.8Very low22.2Very low162 Ų162143.8 Ų143.875%0.7581%0.81SS**  trans-106.6133.5160.7-114.2-96.2000109.6
295R21.7Very low22.2Very low234 Ų234148.2 Ų148.288%0.88381%0.814SS**  trans-117.7103.9172.1178.9-176.7-175.6170.42.4107.3
296E20.4Very low22.2Very low180 Ų180145.3 Ų145.384%0.84181%0.814SS**  trans-108154.4156.7-74-168.3153.500109.2
297A20Very low22.1Very low80 Ų80142.3 Ų142.366%0.66181%0.813SS**  trans-123.7160.7-173.500000110.1
298S20.4Very low22.2Very low119 Ų119142.8 Ų142.883%0.83282%0.816SS**  trans72.3103.3155.7-50.50000117.8
299S24.3Very low22.1Very low108 Ų108139.9 Ų139.976%0.75581%0.81SS**  -164.3107.9118.852.30000111.1
300N21.8Very low22.2Very low172 Ų172141.3 Ų141.392%0.9281%0.808SS**  trans-75.2132.4160.3-78.9-34.8000108.4
301L22.2Very low22.3Very low148 Ų148144.9 Ų144.978%0.77581%0.814SS**  trans-144.786.6173.6-143.8145.7000112.4
302N21.6Very low22.2Very low140 Ų140142.5 Ų142.575%0.74981%0.808SS**  trans55.5161.9141.9-67-28.1000122.7
303I23.1Very low22.2Very low175 Ų175141.7 Ų141.790%0.89781%0.809SS**  trans79.5114.6171.2-50.4161.5000113.3
304G22.5Very low22.5Very low68 Ų68139.9 Ų139.970%0.70181%0.81SS**  cis166.1140-6.800000110.7
305K23.3Very low22.4Very low214 Ų214140.5 Ų140.593%0.9381%0.813SS**  trans-137.3139.5165.3-81.6-168174.5179.80111.3
306S22.7Very low22.7Very low120 Ų120135.8 Ų135.884%0.83981%0.81SS**  trans-47.9146.1-175.5470000116.4
307A21.7Very low22.8Very low100 Ų100134.9 Ų134.983%0.82681%0.811SS**  trans-97.6147.9166.100000111.9
308S23.7Very low22.9Very low122 Ų122134 Ų13485%0.85381%0.81SS**  trans-172.3117.9146.847.70000113.4
309G21.9Very low23.2Very low76 Ų76136 Ų13678%0.78481%0.81SS**  trans79.6158156.100000118.6
310V23.9Very low23.1Very low132 Ų132139 Ų13980%0.881%0.812SS**  cis-158.8135.9-1.51540000110.5
311L22.9Very low23.1Very low160 Ų160134.4 Ų134.484%0.83880%0.798SS**  trans55.5146152.3-72167.4000126.4
312A23.2Very low23.4Very low78 Ų78135.5 Ų135.565%0.64581%0.805SS**  trans64110.5141.400000119.5
313D22.1Very low23.4Very low155 Ų155136.3 Ų136.383%0.82981%0.807SS**  77.611572.9-76.8-28.9000114.6
314Q26.1Very low23.4Very low194 Ų194134 Ų13491%0.90781%0.805SS**  176.9150.6112-92.9176.930.600113.2
315H20.7Very low23.4Very low175 Ų175136.4 Ų136.481%0.8181%0.806SS**  trans-94.5140-178.9-85.4-132.2000112.9
316T29.3Very low23.4Very low135 Ų135131.6 Ų131.683%0.82880%0.8SS**  trans-152.4101153.5-41.30000107.4
317L21.6Very low23.4Very low161 Ų161135.2 Ų135.284%0.84380%0.8SS**  60.5120.677.9-69.2-178.3000116.1
318G22.8Very low23.3Very low62 Ų62140.2 Ų140.264%0.63980%0.803SS**  trans126.2120.8141.400000117.9
319L25.7Very low23.2Very low160 Ų160142.1 Ų142.184%0.83880%0.803SS**  trans58.3151.6142.2-69113.4000119.6
320E22.2Very low23.2Very low172 Ų172143.3 Ų143.380%0.80480%0.8SS**  cis-156.6-174.3-28.3-137-172.7-138.400109
321A23.1Very low23.2Very low76 Ų76142 Ų14263%0.62880%0.796SS**  trans-21.7126.2175.100000118
322N27.3Very low23.3Very low171 Ų171142 Ų14291%0.91479%0.792SS**  trans-144129.5136.4-114.8-43.9000112.7
323I22Very low23.4Very low156 Ų156146.1 Ų146.180%0.880%0.798SS**  trans-89.6118.6-175.6-66.5162.3000108
324C22.6Very low23.5Very low127 Ų127145 Ų14586%0.85879%0.792SS**  trans-142.3133.7154.5-163.30000111.4
325V22.1Very low23.5Very low119 Ų119142.1 Ų142.172%0.72178%0.783SS**  trans-85.6126.6-171.8172.80000110
326S23Very low23.7Very low113 Ų113138.2 Ų138.279%0.7978%0.781SS**  trans-166.9118.3138.4-850000113
327K23Very low23.5Very low196 Ų196141.3 Ų141.385%0.85278%0.783SS**  trans-52.6135.1150.9-61.8162.1178.6175.80106.5
328K21.1Very low23.6Very low204 Ų204141.7 Ų141.789%0.88779%0.785SS**  cis52.861.437.3-105.4-173.5-177.4-1790113
329L21Very low23.8Very low163 Ų163146.1 Ų146.185%0.85379%0.789SS**  trans-116.5135.7134.7-144.384.8000108.8
330S21.8Very low23.8Very low101 Ų101147.1 Ų147.171%0.70679%0.789SS**  trans-54128.9168.948.30000114.3
331S23.9Very low24.2Very low105 Ų105143.4 Ų143.473%0.73478%0.782SS**  -98.7132.6126.252.80000105.5
332Q24.9Very low24.5Very low160 Ų160150.4 Ų150.475%0.74879%0.792SS**  cis50.769.341.5-160.2163-3.800111.4D334Q332-D334 VanDerWaalsContact C-N 3.28Å; Q332-D334 PolarHBondContact NE2-OD2 2.74Å; Q332-D334 PolarHBondContact O-N 2.96Å; Q332-D334 VanDerWaalsContact O-N 3.08Å
333Q25.6Very low24.6Very low163 Ų163152.8 Ų152.876%0.76279%0.789SS**  trans-85.667.4-173.5-163.3171.710.600110.6D335Q333-D335 HydrophobicContact CG-CB 4.49Å; Q333-D335 PolarHBondContact O-N 3.29Å
334D23.1Very low25.4Very low133 Ų133150.5 Ų150.571%0.71179%0.786SS**  trans-7953.4166.1-75.6-50.9000110.4Q332 A336Q332-D334 VanDerWaalsContact C-N 3.28Å; Q332-D334 PolarHBondContact NE2-OD2 2.74Å; Q332-D334 PolarHBondContact O-N 2.96Å; Q332-D334 VanDerWaalsContact O-N 3.08Å; D334-A336 PolarHBondContact O-N 3.18Å; D334-A336 VanDerWaalsContact O-N 3.09Å
335D26.4Very low26.1Very low132 Ų132152.1 Ų152.171%0.70678%0.781SS**  trans-81.389.1170.5-83.2-44.4000109.2Q333 K337Q333-D335 HydrophobicContact CG-CB 4.49Å; Q333-D335 PolarHBondContact O-N 3.29Å; D335-K337 PolarHBondContact O-N 2.98Å; D335-K337 VanDerWaalsContact O-N 3.1Å
336A25.6Very low27.7Very low93 Ų93151.6 Ų151.677%0.76977%0.771SS**  trans-49.2117.7165.100000109.4D334 L338D334-A336 PolarHBondContact O-N 3.18Å; D334-A336 VanDerWaalsContact O-N 3.09Å; A336-L338 PolarHBondContact O-N 3.13Å
337K24.7Very low29.7Very low200 Ų200149.6 Ų149.687%0.8776%0.757SS**  trans-50.5114.7170.9-75.3177.1176.6175.60108.5D335 H339D335-K337 PolarHBondContact O-N 2.98Å; D335-K337 VanDerWaalsContact O-N 3.1Å; K337-H339 PolarHBondContact O-N 3.39Å
338L24.6Very low30.8Very low170 Ų170144.5 Ų144.589%0.8974%0.739SS**  trans-63.791.8172.2-144.2163.8000106.5A336 E340A336-L338 PolarHBondContact O-N 3.13Å; L338-E340 PolarHBondContact O-N 3.33Å; L338-E340 VanDerWaalsContact O-N 3.16Å
339H26.8Very low32.9Very low155 Ų155138.6 Ų138.672%0.71871%0.714SS**  trans-64.9120.9-178.3-168.8-67000107.1K337 S341K337-H339 PolarHBondContact O-N 3.39Å; H339-S341 PolarHBondContact O-N 3.45Å
340E25.2Very low35.1Very low181 Ų181132.3 Ų132.385%0.84669%0.686SS**  trans-70.367.3179.2-164.2169.7-161.100109.2L338 R342L338-E340 PolarHBondContact O-N 3.33Å; L338-E340 VanDerWaalsContact O-N 3.16Å; E340-R342 PolarHBondContact O-N 3.45Å
341S29.8Very low37.3Very low93 Ų93131 Ų13165%0.6567%0.666SS**  trans-71.697.5178.660.80000108.1H339 Y343H339-S341 PolarHBondContact O-N 3.45Å; S341-Y343 PolarHBondContact O-N 2.92Å
342R30.1Very low38.9Very low224 Ų224128.9 Ų128.985%0.84565%0.646SS**  trans-37.3132.5161-59.3175.5-173.31741.4108.8E340 C344E340-R342 PolarHBondContact O-N 3.45Å; R342-C344 PolarHBondContact O-N 2.85Å
343Y29.4Very low40.5Very low220 Ų220125.4 Ų125.486%0.86363%0.629SS**  trans-62.882.4173.8-105.5-99.6000109.6S341S341-Y343 PolarHBondContact O-N 2.92Å
344C39.2Very low42.7Very low109 Ų109123 Ų12374%0.73662%0.616SS**  trans-84117.1159.2-66.40000106R342 E346R342-C344 PolarHBondContact O-N 2.85Å; C344-E346 PolarHBondContact O-N 3.48Å
345E37.2Very low43.8Very low160 Ų160119.2 Ų119.275%0.74860%0.596SS**  trans-59.1105.6177.1-66.3-162141.200109.4S347E345-S347 PolarHBondContact O-N 2.8Å
346E55.2Low44.9Very low108 Ų108117.6 Ų117.651%0.50559%0.586SS.*  trans-71117.6169.8-174.1164-131.600107.2C344 L348 A350 K354C344-E346 PolarHBondContact O-N 3.48Å; E346-L348 PolarHBondContact O-N 2.85Å; E346-A350 HydrophobicContact CG-CB 3.8Å; E346-K354 WeakPolarHBondContact OE1-CE 3.3Å; E346-K354 IonicContact OE1-NZ 2.64Å; E346-K354 PolarHBondContact OE1-NZ 2.77Å; E346-K354 IonicContact OE2-NZ 3.67Å; E346-K354 PolarHBondContact OE2-NZ 2.81Å
347S64.6Low46Very low72 Ų72120.8 Ų120.850%0.50358%0.583SS.*  trans-51.3140.6-178.8176.90000110.8E345 E349 A350 R351E345-S347 PolarHBondContact O-N 2.8Å; S347-E349 PolarHBondContact O-N 2.97Å; S347-E349 VanDerWaalsContact O-N 3.12Å; S347-E349 WeakPolarHBondContact OG-CB 3.39Å; S347-E349 PolarHBondContact OG-N 2.9Å; S347-A350 WeakPolarHBondContact O-CA 3.25Å; S347-A350 WeakPolarHBondContact O-CB 3.39Å; S347-A350 PolarHBondContact O-N 3.49Å; S347-R351 PolarHBondContact O-N 3.11Å
348L47.3Very low46.7Very low88 Ų88118 Ų11846%0.46158%0.577SS.*Hα-helixtrans-49.4-38.8173.7-166.2161.3000110.6E346 A350 R351 I352 E493E346-L348 PolarHBondContact O-N 2.85Å; L348-A350 PolarHBondContact O-N 3.4Å; L348-R351 PolarHBondContact O-N 3.13Å; L348-R351 VanDerWaalsContact O-N 3.17Å; L348-I352 HydrophobicContact CD2-CD1 3.46Å; L348-I352 VanDerWaalsContact CD2-CD1 3.46Å; L348-I352 HydrophobicContact CD2-CG1 4.06Å; L348-I352 WeakPolarHBondContact O-CG1 3.4Å; L348-I352 PolarHBondContact O-N 3.29Å; L348-E493 HydrophobicContact CD1-CG 4.37Å; L348-E493 WeakPolarHBondContact CD2-OE1 3.22Å; L348-E493 WeakPolarHBondContact CG-OE1 3.49Å
349E63.4Low47.2Very low80 Ų80114.4 Ų114.437%0.37456%0.559SS.*Hα-helixtrans-57.9-44.3172.9-154.873.3-131.300113.2S347 R351 I352 Q353S347-E349 PolarHBondContact O-N 2.97Å; S347-E349 VanDerWaalsContact O-N 3.12Å; S347-E349 WeakPolarHBondContact OG-CB 3.39Å; S347-E349 PolarHBondContact OG-N 2.9Å; E349-R351 VanDerWaalsContact C-N 3.32Å; E349-R351 PolarHBondContact O-N 2.85Å; E349-I352 PolarHBondContact O-N 3.24Å; E349-Q353 WeakPolarHBondContact O-CB 3.26Å; E349-Q353 WeakPolarHBondContact O-CG 3.38Å; E349-Q353 PolarHBondContact O-N 2.92Å
350A67.2Low47.3Very low32 Ų32111.6 Ų111.626%0.26456%0.555SS.*Hα-helixtrans-70.4-30.217800000111.7E346 S347 L348 K354E346-A350 HydrophobicContact CG-CB 3.8Å; S347-A350 WeakPolarHBondContact O-CA 3.25Å; S347-A350 WeakPolarHBondContact O-CB 3.39Å; S347-A350 PolarHBondContact O-N 3.49Å; L348-A350 PolarHBondContact O-N 3.4Å; A350-K354 WeakPolarHBondContact O-CB 3.2Å; A350-K354 PolarHBondContact O-N 3.31Å
351R68.1Low47.5Very low73 Ų73109 Ų10928%0.27555%0.552SS.*Hα-helixtrans-70.4-44.4172.5-153173.882.7165.67.7111.5S347 L348 E349 Q353 K354 L355 V489S347-R351 PolarHBondContact O-N 3.11Å; L348-R351 PolarHBondContact O-N 3.13Å; L348-R351 VanDerWaalsContact O-N 3.17Å; E349-R351 VanDerWaalsContact C-N 3.32Å; E349-R351 PolarHBondContact O-N 2.85Å; R351-Q353 VanDerWaalsContact C-N 3.34Å; R351-Q353 PolarHBondContact O-N 2.78Å; R351-K354 WeakPolarHBondContact O-CB 3.4Å; R351-K354 PolarHBondContact O-N 3.41Å; R351-L355 HydrophobicContact CG-CD1 4.38Å; R351-L355 WeakPolarHBondContact O-CD1 3.32Å; R351-L355 WeakPolarHBondContact O-CG 3.41Å; R351-L355 PolarHBondContact O-N 2.93Å; R351-V489 PolarHBondContact NH2-O 2.85Å
352I57.4Low47.3Very low61 Ų61113.4 Ų113.431%0.31356%0.559SS.*Hα-helixtrans-56.4-47.6170.5-70174000110.4L348 E349 K354 L355 L356L348-I352 HydrophobicContact CD2-CD1 3.46Å; L348-I352 VanDerWaalsContact CD2-CD1 3.46Å; L348-I352 HydrophobicContact CD2-CG1 4.06Å; L348-I352 WeakPolarHBondContact O-CG1 3.4Å; L348-I352 PolarHBondContact O-N 3.29Å; E349-I352 PolarHBondContact O-N 3.24Å; I352-K354 VanDerWaalsContact C-N 3.33Å; I352-K354 PolarHBondContact O-N 3.12Å; I352-L355 PolarHBondContact O-N 3.47Å; I352-L356 HydrophobicContact CG2-CD1 3.86Å; I352-L356 HydrophobicContact CG2-CG 4.38Å; I352-L356 WeakPolarHBondContact O-CG 3.33Å; I352-L356 PolarHBondContact O-N 2.87Å
353Q60.3Low47.1Very low87 Ų87108.5 Ų108.541%0.40756%0.556SS.*Hα-helixtrans-63.8-33.3177.1-74.6-174.1-0.600113.7E349 R351 K357E349-Q353 WeakPolarHBondContact O-CB 3.26Å; E349-Q353 WeakPolarHBondContact O-CG 3.38Å; E349-Q353 PolarHBondContact O-N 2.92Å; R351-Q353 VanDerWaalsContact C-N 3.34Å; R351-Q353 PolarHBondContact O-N 2.78Å; Q353-K357 WeakPolarHBondContact O-CB 3.44Å; Q353-K357 PolarHBondContact O-N 3.22Å
354K70.7Confident47Very low111 Ų111104.3 Ų104.348%0.48355%0.553SS.*Hα-helixtrans-65.1-45.7172.3-101.6172171.2166.30111.8E346 A350 R351 I352 K357 L358E346-K354 WeakPolarHBondContact OE1-CE 3.3Å; E346-K354 IonicContact OE1-NZ 2.64Å; E346-K354 PolarHBondContact OE1-NZ 2.77Å; E346-K354 IonicContact OE2-NZ 3.67Å; E346-K354 PolarHBondContact OE2-NZ 2.81Å; A350-K354 WeakPolarHBondContact O-CB 3.2Å; A350-K354 PolarHBondContact O-N 3.31Å; R351-K354 WeakPolarHBondContact O-CB 3.4Å; R351-K354 PolarHBondContact O-N 3.41Å; I352-K354 VanDerWaalsContact C-N 3.33Å; I352-K354 PolarHBondContact O-N 3.12Å; K354-K357 PolarHBondContact O-N 2.86Å; K354-L358 PolarHBondContact O-N 2.97Å; K354-L358 VanDerWaalsContact O-N 3.12Å
355L45.5Very low46.4Very low55 Ų55104.6 Ų104.629%0.28855%0.554SS.*Hα-helixtrans-64.1-45.6178.5-72.5155.4000111R351 I352 K357 L358 V489R351-L355 HydrophobicContact CG-CD1 4.38Å; R351-L355 WeakPolarHBondContact O-CD1 3.32Å; R351-L355 WeakPolarHBondContact O-CG 3.41Å; R351-L355 PolarHBondContact O-N 2.93Å; I352-L355 PolarHBondContact O-N 3.47Å; L355-K357 VanDerWaalsContact C-N 3.28Å; L355-K357 PolarHBondContact O-N 2.86Å; L355-L358 PolarHBondContact O-N 3.05Å; L355-L358 VanDerWaalsContact O-N 3.12Å; L355-V489 HydrophobicContact CD1-CB 4.27Å; L355-V489 HydrophobicContact CD1-CG1 3.93Å; L355-V489 HydrophobicContact CD1-CG2 3.49Å; L355-V489 VanDerWaalsContact CD1-CG2 3.49Å
356L50.5Low45.7Very low97 Ų97106 Ų10651%0.50856%0.56SS.*Hα-helixtrans-61.3-33.6172.7-69.1172.8000112.8I352 N359I352-L356 HydrophobicContact CG2-CD1 3.86Å; I352-L356 HydrophobicContact CG2-CG 4.38Å; I352-L356 WeakPolarHBondContact O-CG 3.33Å; I352-L356 PolarHBondContact O-N 2.87Å; L356-N359 PolarHBondContact O-N 3.32Å
357K47.9Very low44.3Very low161 Ų161109.1 Ų109.170%0.758%0.579SS**Hα-helixtrans-71.7-22.9174.7-91.7178.8173.71710114.6Q353 K354 L355 N359 C360Q353-K357 WeakPolarHBondContact O-CB 3.44Å; Q353-K357 PolarHBondContact O-N 3.22Å; K354-K357 PolarHBondContact O-N 2.86Å; L355-K357 VanDerWaalsContact C-N 3.28Å; L355-K357 PolarHBondContact O-N 2.86Å; K357-N359 VanDerWaalsContact C-N 3.28Å; K357-C360 PolarHBondContact O-N 3.32Å
358L39.6Very low42.4Very low141 Ų141114.6 Ų114.674%0.73859%0.594SS**Hα-helixtrans-73-23.3173.6-73.9170.9000112.2K354 L355 C360K354-L358 PolarHBondContact O-N 2.97Å; K354-L358 VanDerWaalsContact O-N 3.12Å; L355-L358 PolarHBondContact O-N 3.05Å; L355-L358 VanDerWaalsContact O-N 3.12Å; L358-C360 PolarHBondContact O-N 2.95Å
359N35Very low41.2Very low95 Ų95117.9 Ų117.951%0.50861%0.612SS.*THydrogen-bonded Turntrans-83.49.3175.6-74.3-28.6000114.3L356 K357 V361 D485L356-N359 PolarHBondContact O-N 3.32Å; K357-N359 VanDerWaalsContact C-N 3.28Å; N359-V361 VanDerWaalsContact C-N 3.35Å; N359-V361 PolarHBondContact O-N 3.36Å; N359-V361 VanDerWaalsContact O-N 3.1Å; N359-D485 PolarHBondContact ND2-OD2 2.87Å
360C28.9Very low39.4Very low95 Ų95120 Ų12064%0.64263%0.631SS**  trans-82.472.3169.2-700000112K357 L358 K362K357-C360 PolarHBondContact O-N 3.32Å; L358-C360 PolarHBondContact O-N 2.95Å; C360-K362 PolarHBondContact O-N 2.86Å
361V31.1Very low37.3Very low128 Ų128126.5 Ų126.578%0.77666%0.656SS**PPolyproline II helixtrans-61.4119.3168.6177.30000109.1N359N359-V361 VanDerWaalsContact C-N 3.35Å; N359-V361 PolarHBondContact O-N 3.36Å; N359-V361 VanDerWaalsContact O-N 3.1Å
362K25.1Very low35.1Very low184 Ų184129.9 Ų129.980%0.868%0.679SS**PPolyproline II helixtrans-65134174.5-72.6179.2178.1175.60109.7C360 V364C360-K362 PolarHBondContact O-N 2.86Å; K362-V364 PolarHBondContact O-N 3.33Å
363P25.3Very low33.5Very low121 Ų121133 Ų13379%0.78670%0.701SS**PPolyproline II helixtrans-65.5126.1177.227.2-33.6000110.1
364V27.7Very low31.8Very low133 Ų133134.1 Ų134.181%0.80672%0.716SS**PPolyproline II helixtrans-73.1129.3164.1176.60000107K362K362-V364 PolarHBondContact O-N 3.33Å
365P27.4Very low29.5Very low114 Ų114135.7 Ų135.774%0.7474%0.735SS**PPolyproline II helixtrans-66.1139.8-171.724.6-34.1000112.8L367P365-L367 PolarHBondContact O-N 3.46Å
366E22.8Very low28.5Very low191 Ų191139.3 Ų139.389%0.89376%0.759SS**PPolyproline II helixtrans-59.4130178.3-64.1170.6135.800111.7
367L24.4Very low27.2Very low172 Ų172139.3 Ų139.390%0.90177%0.767SS**  trans-91.4115.5173-146154.4000107.5P365P365-L367 PolarHBondContact O-N 3.46Å
368K25.2Very low26.1Very low187 Ų187138.4 Ų138.481%0.81377%0.77SS**  trans-67.6137.1-171.3-70.2-176.8175.4-179.10112.4
369D21.8Very low25.4Very low158 Ų158136 Ų13685%0.84577%0.765SS**  trans-53.1138.9166.9-63.6-65.9000112.2
370T24.9Very low24.9Very low125 Ų125138.5 Ų138.577%0.76778%0.778SS**  trans-152.3101.3147.8-5.80000110.5
371Q23.5Very low24.8Very low167 Ų167139.6 Ų139.678%0.7879%0.787SS**  trans46.8116.9142.2-57.9-173.83.800119.5
372N22.4Very low24.4Very low144 Ų144143.1 Ų143.177%0.7779%0.792SS**  41.4132116.3-63.1-3.2000118.1
373T24.5Very low24.4Very low127 Ų127140 Ų14078%0.77979%0.788SS**  cis-169.7171.324.630000109.3
374P24.3Very low24.3Very low111 Ų111140 Ų14072%0.72179%0.786SS**  trans-87.2161.6-166.636.1-36.1000114.8
375V23Very low24.1Very low143 Ų143139.7 Ų139.787%0.86779%0.788SS**  trans-106.8138.7164.41740000109.5
376V23Very low24Very low132 Ų132141.3 Ų141.380%0.879%0.791SS**  trans-97.3131.9-176.9172.90000110.7
377S24.3Very low24.1Very low96 Ų96139.6 Ų139.667%0.67179%0.787SS**  trans165.7145.1157.452.90000108.3
378D23.7Very low24.3Very low143 Ų143136.4 Ų136.477%0.76578%0.776SS**  cis-162.1154.4-16.4-126.6-40.3000109.3
379S25.2Very low24.2Very low91 Ų91134.3 Ų134.364%0.63678%0.779SS**  trans68.6147.9151.783.50000122.4
380N24.3Very low24.2Very low146 Ų146131 Ų13178%0.78177%0.768SS**  trans76.773.4142.5-60.3-26000122.1
381S27Very low24.1Very low119 Ų119130.8 Ų130.883%0.83277%0.771SS**  178.1123.3126.139.10000108.6
382K22.5Very low24.2Very low202 Ų202131.5 Ų131.588%0.87878%0.775SS**  cis76.15518.2-147-170.9-172.4-176.70116.6
383V26Very low24.4Very low119 Ų119129.1 Ų129.172%0.72178%0.775SS**  trans-15290.6145.7175.40000106.4
384T22.7Very low24.3Very low121 Ų121128.5 Ų128.574%0.74278%0.775SS**  46.787.395.961.90000115
385C23.6Very low24.1Very low125 Ų125130.1 Ų130.185%0.84578%0.776SS**  trans-82118.4166-440000109.7
386N25.8Very low24.1Very low149 Ų149128 Ų12880%0.79777%0.767SS**  trans-76.7123.2156.7-69.1-35.8000107.1
387L23.8Very low24.2Very low155 Ų155128.5 Ų128.581%0.81277%0.771SS**  66.6134.183.6-138.786.7000112.9
388P28.7Very low24.1Very low105 Ų105130.3 Ų130.368%0.68277%0.773SS**  -127.9162.8-50.236.6-24.9000112
389V22.2Very low24.2Very low143 Ų143130.5 Ų130.587%0.86778%0.779SS**  trans-113.9122.7147.9176.80000108
390S22.5Very low24.1Very low88 Ų88136.4 Ų136.462%0.61579%0.787SS**  trans-44.4132.3177.2360000114.2E392S390-E392 PolarHBondContact O-N 2.68Å
391S23.9Very low24.4Very low120 Ų120136.7 Ų136.784%0.83979%0.787SS**  trans-71.697.7151.353.70000109.5
392E25.3Very low24.2Very low183 Ų183139.5 Ų139.586%0.85578%0.784SS**  trans-97.192.1159.3-75.5-166.7165.600109.8S390S390-E392 PolarHBondContact O-N 2.68Å
393A26.5Very low24.6Very low93 Ų93134.6 Ų134.677%0.76978%0.776SS**  trans-121.789.9162.200000107.7
394C21.1Very low24.8Very low115 Ų115136.6 Ų136.678%0.77778%0.782SS**  trans-169.9152.9179.8-89.50000107.6
395I21.7Very low25Very low145 Ų145137.5 Ų137.574%0.74478%0.783SS**  cis-147.2136.4-10.1-103.3152.4000107.9
396S21.6Very low25.2Very low98 Ų98137.1 Ų137.169%0.68577%0.772SS**  trans-58.9137.2167-44.60000113.3N398S396-N398 PolarHBondContact O-N 2.91Å
397T25.2Very low25.2Very low143 Ų143138.8 Ų138.888%0.87777%0.772SS**  trans-89.584.7153.245.80000110.5
398N22.9Very low25.2Very low134 Ų134142.3 Ų142.372%0.71777%0.774SS**  trans10.3121.1149.4-59.8-52.1000118.7S396S396-N398 PolarHBondContact O-N 2.91Å
399V26.4Very low25Very low147 Ų147145.9 Ų145.989%0.89178%0.78SS**  -125.5129.5123.7179.90000108.2
400R22.2Very low25.2Very low214 Ų214147.5 Ų147.581%0.80878%0.778SS**  trans-114.3111.6-166.1176.2-169.7-168.7176.26.1110.7
401I30.3Very low25.3Very low153 Ų153148.5 Ų148.579%0.78579%0.785SS**  trans-143.891.7163.5-50.7179.7000106.1
402K24.2Very low25.8Very low177 Ų177148.1 Ų148.177%0.7778%0.78SS**  55.3104.795.4-79.6-165.8173.9-172.30115.5
403S30.2Very low25.6Very low100 Ų100144.1 Ų144.170%0.69977%0.771SS**  163.4128.5120.242.70000112.6
404D29.6Very low25.5Very low160 Ų160146.2 Ų146.286%0.85677%0.77SS**  51146.8129.7-44.7-19000121
405D26.9Very low25.7Very low141 Ų141148.8 Ų148.875%0.75477%0.771SS**  cis-172.4174.8-18.8-165.8-0000108.8
406L28.2Very low25.7Very low117 Ų117147.7 Ų147.761%0.61377%0.77SS**  trans83.8101.8154.8-58.2162000124.6
407K25.5Very low25.8Very low183 Ų183149.6 Ų149.680%0.79677%0.771SS**  56.2134.3120-62.6173.5-171.2161.60124.2
408R24.5Very low25.8Very low229 Ų229149 Ų14986%0.86476%0.759SS**  160.1112.4106.6-161.4166.6-162.9167.53.1112.7
409F25Very low25.8Very low181 Ų181151.9 Ų151.979%0.79477%0.765SS**  45.4138.1108-67.3-82.7000116.5
410E24.9Very low25.7Very low176 Ų176148 Ų14882%0.82276%0.755SS**  cis-163.7-167.342.1-135.8153-125.200114.3
411S26.2Very low25.8Very low110 Ų110145.1 Ų145.177%0.76976%0.756SS**  trans-124.4-146.9-165.9-33.80000114.6
412P33.1Very low25.4Very low112 Ų112143.7 Ų143.773%0.72775%0.754SS**  -136.1170.6-61.738.3-21.3000118.3
413S21.6Very low25.4Very low98 Ų98143.4 Ų143.469%0.68576%0.755SS**  trans75.5161.3137.571.20000126.6
414N24.7Very low25Very low137 Ų137146.9 Ų146.973%0.73376%0.758SS**  trans86.3145.7167.9-62.5-41.5000117.9
415Q25.9Very low24.9Very low170 Ų170146.1 Ų146.179%0.79475%0.754SS**  cis-158.4-158.65.2-114162.636.700111.3
416V21.6Very low24.7Very low122 Ų122145.3 Ų145.374%0.73975%0.749SS**  -162160.1-101.5142.30000114.7
417I23.7Very low24.5Very low137 Ų137144.8 Ų144.870%0.70375%0.751SS**  trans91.9115.3156.8-88.5164.3000124.9
418Q23.9Very low24.6Very low132 Ų132145.2 Ų145.262%0.61775%0.752SS**  74.8139.6129.5-69.5178.518.500130.1
419K23.7Very low24.5Very low193 Ų193141.6 Ų141.684%0.83975%0.75SS**  trans69.4147.8145.5-69.3157.5178.51600119.4
420G23.9Very low24.8Very low67 Ų67140 Ų14069%0.69176%0.755SS**  cis172.7174.6-5.100000112.6
421N24.6Very low24.6Very low153 Ų153142.8 Ų142.882%0.81876%0.759SS**  trans70.5119.2167.6-73.119.4000119.8
422T22.7Very low24.7Very low122 Ų122144.1 Ų144.175%0.74876%0.762SS**  73.9118.875.664.30000118.2
423H23.5Very low24.2Very low172 Ų172144.6 Ų144.680%0.79676%0.762SS**  167.6159114.7-154.9-96.4000113.9
424F21.9Very low24.4Very low172 Ų172146.4 Ų146.475%0.75477%0.769SS**  trans-79.2163.1172-91-119.8000113
425D26.8Very low24.4Very low145 Ų145145.1 Ų145.178%0.77577%0.771SS**  -174.2169.2110.1-124.6-42.8000116.8
426L22.8Very low24.8Very low123 Ų123142.5 Ų142.564%0.64477%0.769SS**  trans-105.7154.3-171.8-93.5100.7000115.9
427T24.3Very low24.9Very low107 Ų107142.3 Ų142.366%0.65677%0.773SS**  trans66.7130.7146.865.30000121
428K27.3Very low25Very low191 Ų191140.6 Ų140.683%0.8377%0.773SS**  172.4150.6103.4-94.1166.4-170167.10114.4
429N22.9Very low25.1Very low153 Ų153140.6 Ų140.682%0.81878%0.777SS**  trans-39.4141.1166.8-51.1-34.3000116.1
430T31.5Very low25.1Very low147 Ų147140.7 Ų140.790%0.90277%0.772SS**  -151.2151.2121.1-120000111.8
431R21Very low25.1Very low236 Ų236146.7 Ų146.789%0.89177%0.774SS**  trans-134.4108.4-172.7176.6-165.1-164.1174.46.7108.8
432V27Very low25.1Very low138 Ų138144.5 Ų144.584%0.83677%0.766SS**  trans-139135.9166.5-178.50000109.8
433V22.6Very low25.4Very low121 Ų121146.5 Ų146.573%0.73377%0.772SS**  trans-104.2134179.41690000108.5
434T27Very low25.6Very low136 Ų136146 Ų14683%0.83477%0.774SS**  trans-173.4127.613535.40000110.1
435S24.2Very low26.1Very low111 Ų111143.6 Ų143.678%0.77678%0.776SS**  trans-107.9-166.1160.954.40000108.8
436P33.6Very low26.1Very low115 Ų115143.2 Ų143.275%0.74778%0.779SS**  -117.2157.6-91.436.7-23.6000113.2
437S23.8Very low26.5Very low118 Ų118143.1 Ų143.183%0.82579%0.786SS**  trans-173.9122.7150.628.70000113.5
438S26Very low26.9Very low101 Ų101146 Ų14671%0.70680%0.797SS**  26.8118.6121.6-169.60000118.5
439N27Very low27Very low131 Ų131140.4 Ų140.470%0.70179%0.793SS**  -173.6131.8114.9-105.7-66.4000114.6
440R22.8Very low27.5Very low195 Ų195139.3 Ų139.374%0.73679%0.794SS**  trans66.2141135.4-85.5175.1166.6173.8-1.9123.5
441R24.2Very low27.5Very low193 Ų193140.4 Ų140.473%0.72879%0.793SS**  trans88101.5135.8-82.9-177.8162.2149-4.6119.6
442T25Very low27.6Very low107 Ų107136.6 Ų136.666%0.65679%0.785SS**  41.7130.4107.362.90000118.5
443L28.5Very low27.5Very low165 Ų165136.1 Ų136.186%0.86478%0.778SS**  -173.4153.985.8-89.4172.6000110.7
444L28Very low27.9Very low161 Ų161137 Ų13784%0.84378%0.784SS**PPolyproline II helixtrans-89149.2167.3-78.1160.1000110.1
445P31.1Very low27.7Very low121 Ų121140.1 Ų140.179%0.78679%0.786SS**PPolyproline II helixtrans-83.3154.8153.929.8-21.6000111.5
446T28Very low27.8Very low137 Ų137141.4 Ų141.484%0.8479%0.789SS**PPolyproline II helixtrans-89.1168.9-173.836.20000114
447P30.1Very low27.4Very low121 Ų121140 Ų14079%0.78678%0.782SS**PPolyproline II helixtrans-95.3154.3-169.137.2-34.8000114.8
448D34.3Very low27.5Very low169 Ų169142.6 Ų142.690%0.90479%0.786SS**  trans-104.3164.1169.3-76.4-50.2000112.5
449G28.3Very low27.8Very low72 Ų72146.5 Ų146.574%0.74279%0.791SS**  trans-78.2-174.8-166.700000118.1
450P33.6Very low27.9Very low130 Ų130147.4 Ų147.484%0.84480%0.795SS**  trans-96.7147.7-157.136.5-35.1000114.6
451I31.5Very low28.2Very low171 Ų171147.6 Ų147.688%0.87780%0.802SS**  trans-131.3133.4160.7-60.7-178.4000110
452E24.1Very low28.3Very low156 Ų156147.7 Ų147.773%0.72981%0.81SS**  trans-62.3168.5-177-56.917816700116.6
453N24.4Very low28.4Very low127 Ų127154 Ų15468%0.67982%0.822SS**  trans61.2104.6146.3-56.5-29.2000119.1
454T30.2Very low28.5Very low141 Ų141151.6 Ų151.687%0.86582%0.816SS**  -174.4142.196.623.80000112.9
455K22.5Very low28.8Very low200 Ų200150 Ų15087%0.8782%0.815SS**  trans-78.9132.2168.6-59.4166.8178.8173.50109
456T27.1Very low28.9Very low138 Ų138152.7 Ų152.785%0.84782%0.822SS**  trans-162132.2141.67.40000114.9
457S26.1Very low29.2Very low85 Ų85154.3 Ų154.359%0.59483%0.825SS**  trans57.492.3145.1-143.90000120F459S457-F459 VanDerWaalsContact OG-CD2 3.24Å; S457-F459 WeakPolarHBondContact OG-CD2 3.4Å; S457-F459 WeakPolarHBondContact OG-CE2 3.45Å
458L25.5Very low29.4Very low174 Ų174157.6 Ų157.691%0.91183%0.827SS**  trans-55.2137.7141-70.7159.3000109.6
459F31.8Very low29.4Very low183 Ų183155.5 Ų155.580%0.80382%0.82SS**  trans-134.3150.4159.3-104.6-73.7000110.2S457S457-F459 VanDerWaalsContact OG-CD2 3.24Å; S457-F459 WeakPolarHBondContact OG-CD2 3.4Å; S457-F459 WeakPolarHBondContact OG-CE2 3.45Å
460N29Very low30Very low149 Ų149157.9 Ų157.980%0.79782%0.822SS**  trans-65.9150-153.3-70.6-41.4000117.3
461F28.2Very low30.4Very low199 Ų199161.7 Ų161.787%0.87382%0.822SS**  trans-64.8133156.5-75.1-98.7000111.4
462H27.3Very low30.9Very low195 Ų195162.7 Ų162.790%0.90382%0.82SS**  trans-149109.1143-93.8-60.8000109.2
463R26.7Very low32.6Very low241 Ų241161.3 Ų161.391%0.90982%0.824SS**  trans-138.4124.5162.5-154.5172.8-149-177.17.1109.5
464P31.8Very low34.8Very low113 Ų113160.6 Ų160.673%0.73482%0.824SS**PPolyproline II helixtrans-66.9159.3-174.6-22.634.4000114.4
465P32.6Very low37.3Very low127 Ų127157.9 Ų157.983%0.82580%0.804SS**PPolyproline II helixtrans-73.8155.8-174.530.6-35.9000113.8
466L35.1Very low40.2Very low178 Ų178153.3 Ų153.393%0.93279%0.793SS**PPolyproline II helixtrans-72.1143.1-172.9-65.1167.3000113.1
467L33.1Very low43Very low171 Ų171153.4 Ų153.490%0.89578%0.783SS**PPolyproline II helixtrans-69.3142.2-179.4-69.7164.3000112.3T469L467-T469 PolarHBondContact O-N 2.77Å
468K33.4Very low45.7Very low191 Ų191153.8 Ų153.883%0.8378%0.776SS**PPolyproline II helixtrans-53.7123.6167.5-88.3178169.8176.40110.4
469T35.3Very low48.5Very low125 Ų125148.5 Ų148.577%0.76775%0.75SS**PPolyproline II helixtrans-69.7140.8164.246.70000109.9L467L467-T469 PolarHBondContact O-N 2.77Å
470P40.4Very low51.3Low121 Ų121144 Ų14479%0.78673%0.734SS**PPolyproline II helixtrans-70.2141.6-179.327.9-33.8000111.4K472P470-K472 PolarHBondContact O-N 3.03Å
471Y41.9Very low54.2Low211 Ų211143.5 Ų143.583%0.82772%0.721SS**PPolyproline II helixtrans-60.5127.1174.4-66.2-92.4000110.2
472K43Very low57.2Low192 Ų192138.3 Ų138.384%0.83570%0.701SS**PPolyproline II helixtrans-64.9138.9163.1-78.3-173.8174.9-177.40108.5P470 V474P470-K472 PolarHBondContact O-N 3.03Å; K472-V474 PolarHBondContact O-N 3.14Å
473P60.3Low60.2Low126 Ų126133.8 Ų133.882%0.81868%0.683SS**PPolyproline II helixtrans-60.2135.2172.626.4-33.4000109.2D475P473-D475 PolarHBondContact O-N 3.4Å
474V69Low63.4Low112 Ų112126.8 Ų126.868%0.67966%0.663SS**PPolyproline II helixtrans-68.7126.2174.4-178.40000107.8K472 V476 V479K472-V474 PolarHBondContact O-N 3.14Å; V474-V476 PolarHBondContact O-N 3.25Å; V474-V479 HydrophobicContact CG1-CG2 3.47Å; V474-V479 VanDerWaalsContact CG1-CG2 3.47Å
475D83.1Confident66.3Low85 Ų85124.2 Ų124.246%0.45564%0.644SS.*PPolyproline II helixtrans-66.5125.4174.4179.810.5000109.8P473 Q477 E478 V479P473-D475 PolarHBondContact O-N 3.4Å; D475-Q477 PolarHBondContact O-N 2.72Å; D475-Q477 PolarHBondContact OD1-N 3.36Å; D475-E478 HydrophobicContact CB-CB 4.15Å; D475-E478 VanDerWaalsContact O-CB 3.3Å; D475-E478 WeakPolarHBondContact O-CB 3.34Å; D475-E478 PolarHBondContact O-N 2.93Å; D475-E478 VanDerWaalsContact O-N 3.16Å; D475-V479 PolarHBondContact O-N 3.28Å
476V84.7Confident69.1Low103 Ų103122.5 Ų122.562%0.62463%0.631SS**Hα-helixtrans-64.1-30.3179.4-176.80000110.6V474 V479 I480V474-V476 PolarHBondContact O-N 3.25Å; V476-V479 PolarHBondContact O-N 2.8Å; V476-I480 HydrophobicContact CG1-CD1 4.01Å; V476-I480 HydrophobicContact CG1-CG1 4.49Å; V476-I480 WeakPolarHBondContact O-CG1 3.34Å; V476-I480 PolarHBondContact O-N 2.9Å
477Q84.5Confident71.8Confident140 Ų140119.5 Ų119.565%0.65461%0.612SS**Hα-helixtrans-69.8-33.7175.7-61.8-167.8-13.800112.5D475 R481D475-Q477 PolarHBondContact O-N 2.72Å; D475-Q477 PolarHBondContact OD1-N 3.36Å; Q477-R481 WeakPolarHBondContact O-CG 3.43Å; Q477-R481 PolarHBondContact O-N 2.94Å; Q477-R481 VanDerWaalsContact O-N 3.08Å
478E84.1Confident74.5Confident94 Ų94115.6 Ų115.644%0.43959%0.59SS.*Hα-helixtrans-60.3-48.2171.2-164.386.6154.400110.5D475 I480 R481 I482D475-E478 HydrophobicContact CB-CB 4.15Å; D475-E478 VanDerWaalsContact O-CB 3.3Å; D475-E478 WeakPolarHBondContact O-CB 3.34Å; D475-E478 PolarHBondContact O-N 2.93Å; D475-E478 VanDerWaalsContact O-N 3.16Å; E478-I480 PolarHBondContact O-N 3.01Å; E478-R481 PolarHBondContact O-N 3Å; E478-R481 IonicContact OE2-CZ 2.71Å; E478-R481 IonicContact OE2-NH2 2.62Å; E478-R481 PolarHBondContact OE2-NH2 3.49Å; E478-I482 HydrophobicContact CG-CD1 3.98Å; E478-I482 VanDerWaalsContact O-CG1 3.29Å; E478-I482 WeakPolarHBondContact O-CG1 3.32Å; E478-I482 PolarHBondContact O-N 3.48Å
479V84.5Confident77.4Confident62 Ų62107.6 Ų107.638%0.37656%0.557SS.*Hα-helixtrans-64.4-41.9-178.4179.10000111.6V474 D475 V476 I482 I483V474-V479 HydrophobicContact CG1-CG2 3.47Å; V474-V479 VanDerWaalsContact CG1-CG2 3.47Å; D475-V479 PolarHBondContact O-N 3.28Å; V476-V479 PolarHBondContact O-N 2.8Å; V479-I482 PolarHBondContact O-N 2.93Å; V479-I483 HydrophobicContact CG1-CD1 3.87Å; V479-I483 VanDerWaalsContact O-CG1 3.26Å; V479-I483 WeakPolarHBondContact O-CG1 3.47Å; V479-I483 PolarHBondContact O-N 3.38Å
480I90.1Very high80.1Confident88 Ų88107.4 Ų107.445%0.45155%0.546SS..Hα-helixtrans-62.5-46176.5-68.2166.1000110.6V476 E478 I482 I483 D484V476-I480 HydrophobicContact CG1-CD1 4.01Å; V476-I480 HydrophobicContact CG1-CG1 4.49Å; V476-I480 WeakPolarHBondContact O-CG1 3.34Å; V476-I480 PolarHBondContact O-N 2.9Å; E478-I480 PolarHBondContact O-N 3.01Å; I480-I482 PolarHBondContact O-N 2.9Å; I480-I483 WeakPolarHBondContact O-CB 3.5Å; I480-I483 PolarHBondContact O-N 3.04Å; I480-I483 VanDerWaalsContact O-N 3.13Å; I480-D484 PolarHBondContact O-N 3.01Å
481R89.7Confident82.7Confident140 Ų140103.6 Ų103.653%0.52852%0.52SS..Hα-helixtrans-60.1-43.1176.4-72.4-173.3-63.9174.60.6112.6Q477 E478 I483 D484 D485Q477-R481 WeakPolarHBondContact O-CG 3.43Å; Q477-R481 PolarHBondContact O-N 2.94Å; Q477-R481 VanDerWaalsContact O-N 3.08Å; E478-R481 PolarHBondContact O-N 3Å; E478-R481 IonicContact OE2-CZ 2.71Å; E478-R481 IonicContact OE2-NH2 2.62Å; E478-R481 PolarHBondContact OE2-NH2 3.49Å; R481-I483 VanDerWaalsContact C-N 3.3Å; R481-I483 PolarHBondContact O-N 3.11Å; R481-D484 PolarHBondContact O-N 2.87Å; R481-D485 WeakPolarHBondContact O-CB 3.31Å; R481-D485 PolarHBondContact O-N 3.33Å
482I90.5Very high85.1Confident89 Ų8996.3 Ų96.346%0.45650%0.495SS..Hα-helixtrans-62.6-38.2176-67.8164.3000111.1E478 V479 I480 V486E478-I482 HydrophobicContact CG-CD1 3.98Å; E478-I482 VanDerWaalsContact O-CG1 3.29Å; E478-I482 WeakPolarHBondContact O-CG1 3.32Å; E478-I482 PolarHBondContact O-N 3.48Å; V479-I482 PolarHBondContact O-N 2.93Å; I480-I482 PolarHBondContact O-N 2.9Å; I482-V486 HydrophobicContact CG2-CG2 4.45Å; I482-V486 WeakPolarHBondContact O-CB 3.34Å; I482-V486 WeakPolarHBondContact O-CG2 3.35Å; I482-V486 PolarHBondContact O-N 2.77Å
483I91.3Very high87.5Confident100 Ų10089.7 Ų89.751%0.51347%0.467SS..Hα-helixtrans-65.7-46.1175.6-70.9164.7000110.9V479 I480 R481 V486 H487V479-I483 HydrophobicContact CG1-CD1 3.87Å; V479-I483 VanDerWaalsContact O-CG1 3.26Å; V479-I483 WeakPolarHBondContact O-CG1 3.47Å; V479-I483 PolarHBondContact O-N 3.38Å; I480-I483 WeakPolarHBondContact O-CB 3.5Å; I480-I483 PolarHBondContact O-N 3.04Å; I480-I483 VanDerWaalsContact O-N 3.13Å; R481-I483 VanDerWaalsContact C-N 3.3Å; R481-I483 PolarHBondContact O-N 3.11Å; I483-V486 PolarHBondContact O-N 3.47Å; I483-H487 VanDerWaalsContact O-CB 3.25Å; I483-H487 WeakPolarHBondContact O-CB 3.4Å; I483-H487 PolarHBondContact O-N 3.44Å
484D92.6Very high89Confident94 Ų9486.6 Ų86.650%0.50344%0.444SS..Hα-helixtrans-64.6-42.2179.1-73.3-28.5000111.8I480 R481 H487 M488I480-D484 PolarHBondContact O-N 3.01Å; R481-D484 PolarHBondContact O-N 2.87Å; D484-H487 PolarHBondContact O-N 2.83Å; D484-M488 PolarHBondContact O-N 3.33Å
485D93.3Very high90Very high60 Ų6088.7 Ų88.732%0.32144%0.439SS..Hα-helixtrans-57.8-54173.1-81.3-8.8000110.7N359 R481 H487 M488 V489N359-D485 PolarHBondContact ND2-OD2 2.87Å; R481-D485 WeakPolarHBondContact O-CB 3.31Å; R481-D485 PolarHBondContact O-N 3.33Å; D485-H487 VanDerWaalsContact C-N 3.31Å; D485-H487 PolarHBondContact O-N 3.16Å; D485-M488 WeakPolarHBondContact O-CB 3.42Å; D485-M488 PolarHBondContact O-N 3.39Å; D485-M488 VanDerWaalsContact O-N 3.12Å; D485-V489 WeakPolarHBondContact O-CG2 3.05Å; D485-V489 PolarHBondContact O-N 2.88Å
486V91.8Very high90.4Very high91 Ų9186 Ų8655%0.55243%0.432SS*.Hα-helixtrans-59.9-40.8179.5168.70000111.6I482 I483 V489 F490I482-V486 HydrophobicContact CG2-CG2 4.45Å; I482-V486 WeakPolarHBondContact O-CB 3.34Å; I482-V486 WeakPolarHBondContact O-CG2 3.35Å; I482-V486 PolarHBondContact O-N 2.77Å; I483-V486 PolarHBondContact O-N 3.47Å; V486-V489 PolarHBondContact O-N 3.17Å; V486-F490 PolarHBondContact O-N 3.28Å; V486-F490 VanDerWaalsContact O-N 3.1Å
487H92.4Very high90.7Very high115 Ų11584.7 Ų84.753%0.53242%0.42SS..Hα-helixtrans-63.1-41.9175.3179.2-117.4000111.6I483 D484 D485 F490 V491I483-H487 VanDerWaalsContact O-CB 3.25Å; I483-H487 WeakPolarHBondContact O-CB 3.4Å; I483-H487 PolarHBondContact O-N 3.44Å; D484-H487 PolarHBondContact O-N 2.83Å; D485-H487 VanDerWaalsContact C-N 3.31Å; D485-H487 PolarHBondContact O-N 3.16Å; H487-F490 PolarHBondContact O-N 3.25Å; H487-V491 WeakPolarHBondContact O-CG2 3.47Å; H487-V491 PolarHBondContact O-N 3.35Å
488M89.7Confident91.2Very high88 Ų8881.2 Ų81.243%0.43341%0.406SS..Hα-helixtrans-59.8-44.9172.5-101-95.844.300112.2D484 D485 F490 V491 D492D484-M488 PolarHBondContact O-N 3.33Å; D485-M488 WeakPolarHBondContact O-CB 3.42Å; D485-M488 PolarHBondContact O-N 3.39Å; D485-M488 VanDerWaalsContact O-N 3.12Å; M488-F490 VanDerWaalsContact C-N 3.31Å; M488-F490 PolarHBondContact O-N 2.9Å; M488-V491 PolarHBondContact O-N 3.47Å; M488-D492 HydrophobicContact CE-CB 4.36Å; M488-D492 WeakPolarHBondContact CE-OD1 3.48Å; M488-D492 VanDerWaalsContact CE-OD2 3.24Å; M488-D492 WeakPolarHBondContact CE-OD2 3.34Å; M488-D492 PolarHBondContact O-N 2.96Å
489V94Very high91.5Very high24 Ų2482.1 Ų82.115%0.14541%0.41CS..Hα-helixtrans-57-47.9177.1-163.10000110.8R351 L355 D485 V486 D492 E493R351-V489 PolarHBondContact NH2-O 2.85Å; L355-V489 HydrophobicContact CD1-CB 4.27Å; L355-V489 HydrophobicContact CD1-CG1 3.93Å; L355-V489 HydrophobicContact CD1-CG2 3.49Å; L355-V489 VanDerWaalsContact CD1-CG2 3.49Å; D485-V489 WeakPolarHBondContact O-CG2 3.05Å; D485-V489 PolarHBondContact O-N 2.88Å; V486-V489 PolarHBondContact O-N 3.17Å; V489-D492 PolarHBondContact O-N 3.25Å; V489-E493 WeakPolarHBondContact O-CG 3.49Å; V489-E493 PolarHBondContact O-N 2.98Å
490F92.2Very high91.9Very high121 Ų12185.3 Ų85.353%0.53142%0.415SS..Hα-helixtrans-65.3-43.4-177.8-172.3-107.2000112.3V486 H487 M488 D492 E493 L494V486-F490 PolarHBondContact O-N 3.28Å; V486-F490 VanDerWaalsContact O-N 3.1Å; H487-F490 PolarHBondContact O-N 3.25Å; M488-F490 VanDerWaalsContact C-N 3.31Å; M488-F490 PolarHBondContact O-N 2.9Å; F490-D492 VanDerWaalsContact C-N 3.34Å; F490-D492 PolarHBondContact O-N 2.92Å; F490-E493 PolarHBondContact O-N 3.21Å; F490-L494 HydrophobicContact CD1-CD1 3.89Å; F490-L494 HydrophobicContact CD1-CG 4.43Å; F490-L494 HydrophobicContact CE1-CD1 3.44Å; F490-L494 VanDerWaalsContact CE1-CD1 3.44Å; F490-L494 HydrophobicContact CE1-CG 4.14Å; F490-L494 HydrophobicContact CZ-CD1 3.9Å; F490-L494 HydrophobicContact CZ-CD2 4.43Å; F490-L494 HydrophobicContact CZ-CG 4.23Å; F490-L494 WeakPolarHBondContact O-CG 3.48Å; F490-L494 PolarHBondContact O-N 3Å
491V93.5Very high91.9Very high41 Ų4184.8 Ų84.825%0.24841%0.413CS..Hα-helixtrans-59.3-44.41751670000111.3H487 M488 L494 R495H487-V491 WeakPolarHBondContact O-CG2 3.47Å; H487-V491 PolarHBondContact O-N 3.35Å; M488-V491 PolarHBondContact O-N 3.47Å; V491-L494 PolarHBondContact O-N 2.82Å; V491-R495 WeakPolarHBondContact O-CB 3.36Å; V491-R495 VanDerWaalsContact O-CG 3.27Å; V491-R495 WeakPolarHBondContact O-CG 3.42Å; V491-R495 PolarHBondContact O-N 3.32Å
492D92.9Very high92.2Very high57 Ų5782.7 Ų82.731%0.30541%0.411SS..Hα-helixtrans-75.8-25-179.7-81.1-7.9000113.6M488 V489 F490 R495 G496M488-D492 HydrophobicContact CE-CB 4.36Å; M488-D492 WeakPolarHBondContact CE-OD1 3.48Å; M488-D492 VanDerWaalsContact CE-OD2 3.24Å; M488-D492 WeakPolarHBondContact CE-OD2 3.34Å; M488-D492 PolarHBondContact O-N 2.96Å; V489-D492 PolarHBondContact O-N 3.25Å; F490-D492 VanDerWaalsContact C-N 3.34Å; F490-D492 PolarHBondContact O-N 2.92Å; D492-R495 WeakPolarHBondContact OD1-CD 3.39Å; D492-R495 IonicContact OD1-CZ 3.76Å; D492-R495 IonicContact OD1-NH1 2.75Å; D492-R495 PolarHBondContact OD1-NH1 2.9Å; D492-G496 PolarHBondContact O-N 3.27Å; D492-G496 VanDerWaalsContact O-N 3.09Å
493E92.7Very high92.2Very high53 Ų5381.5 Ų81.525%0.24841%0.409CS..Hα-helixtrans-69-47.3168.3-80179.3-156.600111.4L348 V489 F490 R495 G496 I497L348-E493 HydrophobicContact CD1-CG 4.37Å; L348-E493 WeakPolarHBondContact CD2-OE1 3.22Å; L348-E493 WeakPolarHBondContact CG-OE1 3.49Å; V489-E493 WeakPolarHBondContact O-CG 3.49Å; V489-E493 PolarHBondContact O-N 2.98Å; F490-E493 PolarHBondContact O-N 3.21Å; E493-R495 VanDerWaalsContact C-N 3.34Å; E493-R495 PolarHBondContact O-N 3.35Å; E493-G496 CarbonylContact O-C 3.49Å; E493-G496 WeakPolarHBondContact O-CA 3.41Å; E493-G496 PolarHBondContact O-N 2.89Å; E493-G496 VanDerWaalsContact O-N 3.07Å; E493-I497 WeakPolarHBondContact O-CG1 3.21Å; E493-I497 PolarHBondContact O-N 3.17Å
494L92.6Very high92.3Very high62 Ų6283.7 Ų83.733%0.32541%0.41SS..Hα-helixtrans-59.5-44175.6-73.8-178.9000111.6F490 V491 G496 I497 I498F490-L494 HydrophobicContact CD1-CD1 3.89Å; F490-L494 HydrophobicContact CD1-CG 4.43Å; F490-L494 HydrophobicContact CE1-CD1 3.44Å; F490-L494 VanDerWaalsContact CE1-CD1 3.44Å; F490-L494 HydrophobicContact CE1-CG 4.14Å; F490-L494 HydrophobicContact CZ-CD1 3.9Å; F490-L494 HydrophobicContact CZ-CD2 4.43Å; F490-L494 HydrophobicContact CZ-CG 4.23Å; F490-L494 WeakPolarHBondContact O-CG 3.48Å; F490-L494 PolarHBondContact O-N 3Å; V491-L494 PolarHBondContact O-N 2.82Å; L494-G496 VanDerWaalsContact C-N 3.31Å; L494-G496 PolarHBondContact O-N 3.33Å; L494-I497 PolarHBondContact O-N 2.76Å; L494-I498 WeakPolarHBondContact O-CB 3.45Å; L494-I498 VanDerWaalsContact O-CG1 3.26Å; L494-I498 WeakPolarHBondContact O-CG1 3.48Å; L494-I498 PolarHBondContact O-N 3.42Å
495R90.4Very high92.2Very high155 Ų15584.6 Ų84.659%0.58541%0.41SS*.Hα-helixtrans-56.1-44.7171.7-76.2167.1171.1174-3.6111.7V491 D492 E493 H499V491-R495 WeakPolarHBondContact O-CB 3.36Å; V491-R495 VanDerWaalsContact O-CG 3.27Å; V491-R495 WeakPolarHBondContact O-CG 3.42Å; V491-R495 PolarHBondContact O-N 3.32Å; D492-R495 WeakPolarHBondContact OD1-CD 3.39Å; D492-R495 IonicContact OD1-CZ 3.76Å; D492-R495 IonicContact OD1-NH1 2.75Å; D492-R495 PolarHBondContact OD1-NH1 2.9Å; E493-R495 VanDerWaalsContact C-N 3.34Å; E493-R495 PolarHBondContact O-N 3.35Å; R495-H499 WeakPolarHBondContact O-CB 3.4Å; R495-H499 PolarHBondContact O-N 2.99Å
496G91.3Very high92.2Very high29 Ų2987.4 Ų87.430%0.29942%0.424SS..Hα-helixtrans-66.6-32.7177.600000114.3D492 E493 L494 R500D492-G496 PolarHBondContact O-N 3.27Å; D492-G496 VanDerWaalsContact O-N 3.09Å; E493-G496 CarbonylContact O-C 3.49Å; E493-G496 WeakPolarHBondContact O-CA 3.41Å; E493-G496 PolarHBondContact O-N 2.89Å; E493-G496 VanDerWaalsContact O-N 3.07Å; L494-G496 VanDerWaalsContact C-N 3.31Å; L494-G496 PolarHBondContact O-N 3.33Å; G496-R500 WeakPolarHBondContact O-CG 3.35Å; G496-R500 PolarHBondContact O-N 2.97Å; G496-R500 PolarHBondContact O-NE 3.3Å
497I91.7Very high92.2Very high75 Ų7587.5 Ų87.539%0.38543%0.425SS..Hα-helixtrans-71.9-53173.4-66.3165.1000109.9E493 L494 H499 R500 D501E493-I497 WeakPolarHBondContact O-CG1 3.21Å; E493-I497 PolarHBondContact O-N 3.17Å; L494-I497 PolarHBondContact O-N 2.76Å; I497-H499 VanDerWaalsContact C-N 3.3Å; I497-H499 PolarHBondContact O-N 3.46Å; I497-R500 PolarHBondContact O-N 2.88Å; I497-D501 PolarHBondContact O-N 2.74Å
498I93.5Very high92.2Very high67 Ų6786.3 Ų86.334%0.34442%0.419SS..Hα-helixtrans-58-42.7180-68.3166.6000110.8L494 R500 D501 I502 F1660L494-I498 WeakPolarHBondContact O-CB 3.45Å; L494-I498 VanDerWaalsContact O-CG1 3.26Å; L494-I498 WeakPolarHBondContact O-CG1 3.48Å; L494-I498 PolarHBondContact O-N 3.42Å; I498-R500 PolarHBondContact O-N 2.93Å; I498-D501 PolarHBondContact O-N 2.66Å; I498-I502 HydrophobicContact CG2-CD1 3.62Å; I498-I502 HydrophobicContact CG2-CG1 4.24Å; I498-I502 WeakPolarHBondContact O-CB 3.46Å; I498-I502 VanDerWaalsContact O-CG1 3.3Å; I498-I502 WeakPolarHBondContact O-CG1 3.5Å; I498-I502 PolarHBondContact O-N 3.26Å; I498-F1660 HydrophobicContact CD1-CZ 4.37Å; I498-F1660 HydrophobicContact CG2-CZ 4.46Å
499H92Very high92.2Very high114 Ų11484 Ų8453%0.52842%0.419SS..Hα-helixtrans-60.5-43.5175.8-176.2-82.5000112.1R495 I497 T503R495-H499 WeakPolarHBondContact O-CB 3.4Å; R495-H499 PolarHBondContact O-N 2.99Å; I497-H499 VanDerWaalsContact C-N 3.3Å; I497-H499 PolarHBondContact O-N 3.46Å; H499-T503 VanDerWaalsContact O-CB 3.32Å; H499-T503 WeakPolarHBondContact O-CB 3.34Å; H499-T503 PolarHBondContact O-N 2.96Å; H499-T503 PolarHBondContact O-OG1 3.04Å
500R91.6Very high92.2Very high129 Ų12987.5 Ų87.549%0.48743%0.433SS..Hα-helixtrans-65.2-40.3177.7-79177-71.4171.8-0111.9G496 I497 I498 T503 R504G496-R500 WeakPolarHBondContact O-CG 3.35Å; G496-R500 PolarHBondContact O-N 2.97Å; G496-R500 PolarHBondContact O-NE 3.3Å; I497-R500 PolarHBondContact O-N 2.88Å; I498-R500 PolarHBondContact O-N 2.93Å; R500-T503 PolarHBondContact O-N 3.13Å; R500-R504 WeakPolarHBondContact O-CB 3.21Å; R500-R504 PolarHBondContact O-N 3.13Å
501D91.2Very high91.8Very high77 Ų7784.4 Ų84.441%0.41243%0.43SS..Hα-helixtrans-73-38.5179.2-73.8-15.9000112.9I497 I498 R504 K505I497-D501 PolarHBondContact O-N 2.74Å; I498-D501 PolarHBondContact O-N 2.66Å; D501-R504 PolarHBondContact O-N 2.95Å; D501-K505 WeakPolarHBondContact O-CB 3.39Å; D501-K505 WeakPolarHBondContact O-CG 3.37Å; D501-K505 PolarHBondContact O-N 3.5Å
502I94.6Very high91.7Very high95 Ų9589.4 Ų89.449%0.48745%0.449SS..Hα-helixtrans-61.6-47.1170.2-70.2171.8000110I498 R504 K505 L506I498-I502 HydrophobicContact CG2-CD1 3.62Å; I498-I502 HydrophobicContact CG2-CG1 4.24Å; I498-I502 WeakPolarHBondContact O-CB 3.46Å; I498-I502 VanDerWaalsContact O-CG1 3.3Å; I498-I502 WeakPolarHBondContact O-CG1 3.5Å; I498-I502 PolarHBondContact O-N 3.26Å; I502-R504 PolarHBondContact O-N 3.33Å; I502-K505 PolarHBondContact O-N 3.37Å; I502-L506 VanDerWaalsContact O-CB 3.31Å; I502-L506 WeakPolarHBondContact O-CB 3.32Å; I502-L506 PolarHBondContact O-N 3.08Å
503T91.8Very high91.6Very high65 Ų6592.2 Ų92.240%0.39946%0.458SS..Hα-helixtrans-60.1-45.8178.3-54.30000111.1H499 R500 L506 V507H499-T503 VanDerWaalsContact O-CB 3.32Å; H499-T503 WeakPolarHBondContact O-CB 3.34Å; H499-T503 PolarHBondContact O-N 2.96Å; H499-T503 PolarHBondContact O-OG1 3.04Å; R500-T503 PolarHBondContact O-N 3.13Å; T503-L506 PolarHBondContact O-N 2.86Å; T503-V507 WeakPolarHBondContact O-CG2 3.47Å; T503-V507 PolarHBondContact O-N 3.27Å
504R91.8Very high91.6Very high146 Ų14694.7 Ų94.755%0.55147%0.472SS*.Hα-helixtrans-57.6-52.4175.8-177.5-165.6-57.8-83.1-3.5111.3R500 D501 I502 L506 V507 E508R500-R504 WeakPolarHBondContact O-CB 3.21Å; R500-R504 PolarHBondContact O-N 3.13Å; D501-R504 PolarHBondContact O-N 2.95Å; I502-R504 PolarHBondContact O-N 3.33Å; R504-L506 VanDerWaalsContact C-N 3.29Å; R504-L506 PolarHBondContact O-N 3.24Å; R504-V507 PolarHBondContact O-N 3.49Å; R504-E508 WeakPolarHBondContact CD-OE1 3.5Å; R504-E508 HydrophobicContact CG-CG 4.42Å; R504-E508 WeakPolarHBondContact CG-OE1 3.42Å; R504-E508 WeakPolarHBondContact O-CB 3.29Å; R504-E508 WeakPolarHBondContact O-CG 3.28Å; R504-E508 PolarHBondContact O-N 3.49Å
505K91.7Very high91.5Very high113 Ų11397 Ų9749%0.49148%0.48SS..Hα-helixtrans-63.2-32.5179.6-76-173.3175.9-173.60113.3D501 I502 G509D501-K505 WeakPolarHBondContact O-CB 3.39Å; D501-K505 WeakPolarHBondContact O-CG 3.37Å; D501-K505 PolarHBondContact O-N 3.5Å; I502-K505 PolarHBondContact O-N 3.37Å; K505-G509 PolarHBondContact O-N 2.95Å
506L93.8Very high91.7Very high119 Ų11992.4 Ų92.462%0.62347%0.472SS*.Hα-helixtrans-71.3-42.2176.2-167.1155.4000110.9I502 T503 R504 G509 Q510I502-L506 VanDerWaalsContact O-CB 3.31Å; I502-L506 WeakPolarHBondContact O-CB 3.32Å; I502-L506 PolarHBondContact O-N 3.08Å; T503-L506 PolarHBondContact O-N 2.86Å; R504-L506 VanDerWaalsContact C-N 3.29Å; R504-L506 PolarHBondContact O-N 3.24Å; L506-G509 PolarHBondContact O-N 3.46Å; L506-Q510 VanDerWaalsContact O-CB 3.31Å; L506-Q510 WeakPolarHBondContact O-CB 3.33Å; L506-Q510 PolarHBondContact O-N 3.14Å
507V91.5Very high91.8Very high93 Ų9394.8 Ų94.856%0.56448%0.478SS*.Hα-helixtrans-64.4-46.5173.41710000111.2T503 R504 Q510 A511T503-V507 WeakPolarHBondContact O-CG2 3.47Å; T503-V507 PolarHBondContact O-N 3.27Å; R504-V507 PolarHBondContact O-N 3.49Å; V507-Q510 PolarHBondContact O-N 2.82Å; V507-A511 VanDerWaalsContact O-CB 3.31Å; V507-A511 WeakPolarHBondContact O-CB 3.47Å; V507-A511 PolarHBondContact O-N 3.03Å
508E91.1Very high91.9Very high89 Ų8997.6 Ų97.642%0.41648%0.484SS..Hα-helixtrans-60.1-48175.1-73.9168.1-17600110.7R504 Q510 A511 F512R504-E508 WeakPolarHBondContact CD-OE1 3.5Å; R504-E508 HydrophobicContact CG-CG 4.42Å; R504-E508 WeakPolarHBondContact CG-OE1 3.42Å; R504-E508 WeakPolarHBondContact O-CB 3.29Å; R504-E508 WeakPolarHBondContact O-CG 3.28Å; R504-E508 PolarHBondContact O-N 3.49Å; E508-Q510 PolarHBondContact O-N 3.24Å; E508-A511 PolarHBondContact O-N 3.45Å; E508-F512 HydrophobicContact CB-CD2 4.49Å; E508-F512 HydrophobicContact CB-CE2 4.46Å; E508-F512 WeakPolarHBondContact O-CD2 3.24Å; E508-F512 PolarHBondContact O-N 3.45Å
509G90.9Very high91.8Very high41 Ų41101 Ų10142%0.42349%0.492SS..Hα-helixtrans-61-40.1177.100000113.4K505 L506 K513K505-G509 PolarHBondContact O-N 2.95Å; L506-G509 PolarHBondContact O-N 3.46Å; G509-K513 WeakPolarHBondContact O-CB 3.44Å; G509-K513 PolarHBondContact O-N 3.21Å
510Q92.5Very high91.8Very high96 Ų9699.6 Ų99.645%0.44949%0.489SS..Hα-helixtrans-70.6-35.1175.3-173.458.663.600112.2L506 V507 E508 K513 L514L506-Q510 VanDerWaalsContact O-CB 3.31Å; L506-Q510 WeakPolarHBondContact O-CB 3.33Å; L506-Q510 PolarHBondContact O-N 3.14Å; V507-Q510 PolarHBondContact O-N 2.82Å; E508-Q510 PolarHBondContact O-N 3.24Å; Q510-K513 PolarHBondContact O-N 3.27Å; Q510-L514 HydrophobicContact CG-CD1 4.39Å; Q510-L514 WeakPolarHBondContact O-CB 2.96Å; Q510-L514 VanDerWaalsContact O-CG 3.27Å; Q510-L514 WeakPolarHBondContact O-CG 3.4Å; Q510-L514 PolarHBondContact O-N 3.21Å
511A85.5Confident91.8Very high56 Ų5696 Ų9646%0.46348%0.484SS..Hα-helixtrans-68.4-43174.300000111.8V507 E508 L514 F515V507-A511 VanDerWaalsContact O-CB 3.31Å; V507-A511 WeakPolarHBondContact O-CB 3.47Å; V507-A511 PolarHBondContact O-N 3.03Å; E508-A511 PolarHBondContact O-N 3.45Å; A511-L514 PolarHBondContact O-N 3.43Å; A511-F515 WeakPolarHBondContact O-CB 3.09Å; A511-F515 PolarHBondContact O-N 3.3Å
512F89.7Confident91.2Very high146 Ų14696.8 Ų96.864%0.6448%0.483SS*.Hα-helixtrans-62-42.7172.1-79.7-62.3000111.5E508 F515 S516E508-F512 HydrophobicContact CB-CD2 4.49Å; E508-F512 HydrophobicContact CB-CE2 4.46Å; E508-F512 WeakPolarHBondContact O-CD2 3.24Å; E508-F512 PolarHBondContact O-N 3.45Å; F512-F515 PolarHBondContact O-N 3.34Å; F512-S516 PolarHBondContact O-N 2.71Å; F512-S516 PolarHBondContact O-OG 3.4Å
513K91.1Very high90.6Very high116 Ų11696.1 Ų96.150%0.50448%0.478SS..Hα-helixtrans-60.4-49.6175-175.3177.9177-178.20111.8G509 Q510 F515 S516 D517G509-K513 WeakPolarHBondContact O-CB 3.44Å; G509-K513 PolarHBondContact O-N 3.21Å; Q510-K513 PolarHBondContact O-N 3.27Å; K513-F515 PolarHBondContact O-N 2.87Å; K513-S516 PolarHBondContact O-N 3.45Å; K513-S516 VanDerWaalsContact O-N 3.16Å; K513-D517 WeakPolarHBondContact CE-OD2 3.42Å; K513-D517 WeakPolarHBondContact O-CB 3.39Å; K513-D517 PolarHBondContact O-N 2.93Å
514L93.8Very high89.9Confident105 Ų10598.7 Ų98.755%0.5549%0.485SS..Hα-helixtrans-60-34.3176.7-73168.1000112.4Q510 A511 W518Q510-L514 HydrophobicContact CG-CD1 4.39Å; Q510-L514 WeakPolarHBondContact O-CB 2.96Å; Q510-L514 VanDerWaalsContact O-CG 3.27Å; Q510-L514 WeakPolarHBondContact O-CG 3.4Å; Q510-L514 PolarHBondContact O-N 3.21Å; A511-L514 PolarHBondContact O-N 3.43Å; L514-W518 WeakPolarHBondContact O-CB 3.32Å; L514-W518 PolarHBondContact O-N 3.46Å
515F90.7Very high89.4Confident110 Ų11094.4 Ų94.448%0.48247%0.474SS..Hα-helixtrans-69.8-42.5174.7-179.5-96.7000112.2A511 F512 K513 W518 W519A511-F515 WeakPolarHBondContact O-CB 3.09Å; A511-F515 PolarHBondContact O-N 3.3Å; F512-F515 PolarHBondContact O-N 3.34Å; K513-F515 PolarHBondContact O-N 2.87Å; F515-W518 HydrophobicContact CD2-CE3 4.09Å; F515-W518 HydrophobicContact CD2-CZ3 4.36Å; F515-W518 AromaticContact CE2-CE3 3.97Å; F515-W518 HydrophobicContact CE2-CE3 3.97Å; F515-W518 AromaticContact CE2-CZ3 3.79Å; F515-W518 HydrophobicContact CE2-CZ3 3.79Å; F515-W518 HydrophobicContact CZ-CZ3 4.42Å; F515-W518 PolarHBondContact O-N 3.45Å; F515-W519 HydrophobicContact CE1-CE3 4.48Å; F515-W519 AromaticContact CZ-CE3 3.99Å; F515-W519 HydrophobicContact CZ-CE3 3.99Å; F515-W519 VanDerWaalsContact O-CB 3.27Å; F515-W519 WeakPolarHBondContact O-CB 3.31Å; F515-W519 PolarHBondContact O-N 3.2Å
516S93.3Very high88.3Confident59 Ų5993 Ų9341%0.41348%0.477SS..Hα-helixtrans-63.1-50.5173.3-69.60000111.9F512 K513 W518 W519 D520F512-S516 PolarHBondContact O-N 2.71Å; F512-S516 PolarHBondContact O-OG 3.4Å; K513-S516 PolarHBondContact O-N 3.45Å; K513-S516 VanDerWaalsContact O-N 3.16Å; S516-W518 PolarHBondContact O-N 2.88Å; S516-W519 PolarHBondContact O-N 3.48Å; S516-D520 WeakPolarHBondContact O-CB 3.37Å; S516-D520 VanDerWaalsContact O-CG 3.29Å; S516-D520 PolarHBondContact O-N 2.96Å
517D93.7Very high87.1Confident80 Ų8095.2 Ų95.243%0.42848%0.477SS..Hα-helixtrans-56.8-38.9177.5-62.5-18.3000110.9K513 S521K513-D517 WeakPolarHBondContact CE-OD2 3.42Å; K513-D517 WeakPolarHBondContact O-CB 3.39Å; K513-D517 PolarHBondContact O-N 2.93Å; D517-S521 VanDerWaalsContact O-CB 3.3Å; D517-S521 WeakPolarHBondContact O-CB 3.45Å; D517-S521 PolarHBondContact O-N 2.92Å; D517-S521 VanDerWaalsContact O-N 3.11Å
518W95Very high85.5Confident133 Ų13397.2 Ų97.250%0.50448%0.48SS..Hα-helixtrans-70.6-39.3174.417481.7000113.4L514 F515 S516 S521 K522L514-W518 WeakPolarHBondContact O-CB 3.32Å; L514-W518 PolarHBondContact O-N 3.46Å; F515-W518 HydrophobicContact CD2-CE3 4.09Å; F515-W518 HydrophobicContact CD2-CZ3 4.36Å; F515-W518 AromaticContact CE2-CE3 3.97Å; F515-W518 HydrophobicContact CE2-CE3 3.97Å; F515-W518 AromaticContact CE2-CZ3 3.79Å; F515-W518 HydrophobicContact CE2-CZ3 3.79Å; F515-W518 HydrophobicContact CZ-CZ3 4.42Å; F515-W518 PolarHBondContact O-N 3.45Å; S516-W518 PolarHBondContact O-N 2.88Å; W518-S521 PolarHBondContact O-N 3.4Å; W518-K522 HydrophobicContact CD2-CG 4.35Å; W518-K522 HydrophobicContact CZ2-CG 4.06Å; W518-K522 WeakPolarHBondContact O-CG 3.36Å; W518-K522 PolarHBondContact O-N 3.32Å
519W89.7Confident83.6Confident139 Ų13998.5 Ų98.553%0.52749%0.49SS..Hα-helixtrans-65.7-47.7178-173.9-89.3000111F515 S516 S521 K522 E523F515-W519 HydrophobicContact CE1-CE3 4.48Å; F515-W519 AromaticContact CZ-CE3 3.99Å; F515-W519 HydrophobicContact CZ-CE3 3.99Å; F515-W519 VanDerWaalsContact O-CB 3.27Å; F515-W519 WeakPolarHBondContact O-CB 3.31Å; F515-W519 PolarHBondContact O-N 3.2Å; S516-W519 PolarHBondContact O-N 3.48Å; W519-S521 VanDerWaalsContact C-N 3.33Å; W519-S521 PolarHBondContact O-N 3.02Å; W519-K522 WeakPolarHBondContact O-CB 3.38Å; W519-K522 PolarHBondContact O-N 3.4Å; W519-K522 VanDerWaalsContact O-N 3.09Å; W519-E523 PolarHBondContact O-N 2.8Å
520D92.2Very high81.7Confident85 Ų85102.3 Ų102.346%0.45550%0.497SS..Hα-helixtrans-62.2-40.7176.9-64.9-8.7000110.8S516 E523 Q524S516-D520 WeakPolarHBondContact O-CB 3.37Å; S516-D520 VanDerWaalsContact O-CG 3.29Å; S516-D520 PolarHBondContact O-N 2.96Å; D520-E523 PolarHBondContact O-N 3.45Å; D520-Q524 WeakPolarHBondContact O-CG 3.43Å; D520-Q524 PolarHBondContact O-N 3.41Å
521S92.7Very high79.4Confident54 Ų54101.6 Ų101.638%0.37851%0.507SS..Hα-helixtrans-62.2-40.4172.4172.40000112.3D517 W518 W519 E523 Q524 D525D517-S521 VanDerWaalsContact O-CB 3.3Å; D517-S521 WeakPolarHBondContact O-CB 3.45Å; D517-S521 PolarHBondContact O-N 2.92Å; D517-S521 VanDerWaalsContact O-N 3.11Å; W518-S521 PolarHBondContact O-N 3.4Å; W519-S521 VanDerWaalsContact C-N 3.33Å; W519-S521 PolarHBondContact O-N 3.02Å; S521-E523 VanDerWaalsContact C-N 3.33Å; S521-Q524 PolarHBondContact O-N 2.74Å; S521-D525 VanDerWaalsContact O-CG 3.24Å; S521-D525 PolarHBondContact O-N 3.24Å
522K78.6Confident77.2Confident92 Ų92103.8 Ų103.840%0.452%0.519SS..Hα-helixtrans-66.6-36174.8-78-76.6150-113.60112.1W518 W519 D525 C526W518-K522 HydrophobicContact CD2-CG 4.35Å; W518-K522 HydrophobicContact CZ2-CG 4.06Å; W518-K522 WeakPolarHBondContact O-CG 3.36Å; W518-K522 PolarHBondContact O-N 3.32Å; W519-K522 WeakPolarHBondContact O-CB 3.38Å; W519-K522 PolarHBondContact O-N 3.4Å; W519-K522 VanDerWaalsContact O-N 3.09Å; K522-D525 IonicContact NZ-OD2 3.91Å; K522-D525 PolarHBondContact NZ-OD2 2.79Å; K522-C526 PolarHBondContact O-N 2.77Å; K522-C526 VanDerWaalsContact O-N 3.12Å; K522-C526 PolarHBondContact O-SG 2.75Å; K522-C526 VanDerWaalsContact O-SG 3.42Å
523E82.2Confident74.7Confident81 Ų81101.2 Ų101.238%0.37952%0.519SS..Hα-helixtrans-68.5-37.9174.9-145.9-174.8138.700111.8W519 D520 S521 C526 R527W519-E523 PolarHBondContact O-N 2.8Å; D520-E523 PolarHBondContact O-N 3.45Å; S521-E523 VanDerWaalsContact C-N 3.33Å; E523-C526 PolarHBondContact O-N 3.26Å; E523-R527 VanDerWaalsContact O-CG 3.28Å; E523-R527 WeakPolarHBondContact O-CG 3.27Å; E523-R527 PolarHBondContact O-N 2.96Å; E523-R527 VanDerWaalsContact O-N 3.11Å; E523-R527 IonicContact OE1-CZ 3.78Å; E523-R527 IonicContact OE1-NE 3.14Å; E523-R527 IonicContact OE1-NH2 2.72Å; E523-R527 PolarHBondContact OE1-NH2 3.49Å
524Q77.5Confident71.8Confident119 Ų119103.6 Ų103.656%0.55653%0.532SS*.Hα-helixtrans-67.6-42.3172.9-72.5-178.315.500112.8D520 S521 C526 R527 Q528D520-Q524 WeakPolarHBondContact O-CG 3.43Å; D520-Q524 PolarHBondContact O-N 3.41Å; S521-Q524 PolarHBondContact O-N 2.74Å; Q524-C526 VanDerWaalsContact C-N 3.29Å; Q524-C526 PolarHBondContact O-N 3.16Å; Q524-R527 PolarHBondContact O-N 3.48Å; Q524-R527 VanDerWaalsContact O-N 3.08Å; Q524-Q528 PolarHBondContact O-N 3.45Å
525D81.2Confident68.8Low57 Ų57104.8 Ų104.831%0.30553%0.534SS..Hα-helixtrans-56.2-45.2174-72.3-21.4000110.9S521 K522 R527 Q528 N529S521-D525 VanDerWaalsContact O-CG 3.24Å; S521-D525 PolarHBondContact O-N 3.24Å; K522-D525 IonicContact NZ-OD2 3.91Å; K522-D525 PolarHBondContact NZ-OD2 2.79Å; D525-R527 VanDerWaalsContact C-N 3.33Å; D525-R527 PolarHBondContact O-N 3.32Å; D525-Q528 PolarHBondContact O-N 3.05Å; D525-N529 WeakPolarHBondContact O-CB 3.09Å; D525-N529 PolarHBondContact O-N 3.29Å; D525-N529 VanDerWaalsContact O-N 3.11Å; D525-N529 PolarHBondContact O-ND2 3.23Å
526C68.3Low65.8Low83 Ų83107.3 Ų107.356%0.56155%0.553SS**Hα-helixtrans-61.7-39.2175.8-74.50000112.2K522 E523 Q524 H530K522-C526 PolarHBondContact O-N 2.77Å; K522-C526 VanDerWaalsContact O-N 3.12Å; K522-C526 PolarHBondContact O-SG 2.75Å; K522-C526 VanDerWaalsContact O-SG 3.42Å; E523-C526 PolarHBondContact O-N 3.26Å; Q524-C526 VanDerWaalsContact C-N 3.29Å; Q524-C526 PolarHBondContact O-N 3.16Å; C526-H530 PolarHBondContact O-CD2 3.14Å
527R67.9Low62.7Low165 Ų165111.5 Ų111.562%0.62358%0.576SS**Hα-helixtrans-71-41178-68.4168.9-173.3-146.86.6112.7E523 Q524 D525 H530 A531E523-R527 VanDerWaalsContact O-CG 3.28Å; E523-R527 WeakPolarHBondContact O-CG 3.27Å; E523-R527 PolarHBondContact O-N 2.96Å; E523-R527 VanDerWaalsContact O-N 3.11Å; E523-R527 IonicContact OE1-CZ 3.78Å; E523-R527 IonicContact OE1-NE 3.14Å; E523-R527 IonicContact OE1-NH2 2.72Å; E523-R527 PolarHBondContact OE1-NH2 3.49Å; Q524-R527 PolarHBondContact O-N 3.48Å; Q524-R527 VanDerWaalsContact O-N 3.08Å; D525-R527 VanDerWaalsContact C-N 3.33Å; D525-R527 PolarHBondContact O-N 3.32Å; R527-H530 PolarHBondContact O-N 3.35Å; R527-A531 PolarHBondContact O-N 2.82Å
528Q57Low59.6Low135 Ų135117.8 Ų117.863%0.63160%0.599SS**Hα-helixtrans-68-40179.3-74.3-169.8-0.900112.7Q524 D525 H530 A531 S532Q524-Q528 PolarHBondContact O-N 3.45Å; D525-Q528 PolarHBondContact O-N 3.05Å; Q528-H530 PolarHBondContact O-N 2.83Å; Q528-A531 PolarHBondContact O-N 3.23Å; Q528-S532 PolarHBondContact O-N 2.88Å
529N52.8Low56.3Low117 Ų117120 Ų12063%0.62662%0.615SS**Hα-helixtrans-62.6-25.4176.3-76.1-58000113D525 S532D525-N529 WeakPolarHBondContact O-CB 3.09Å; D525-N529 PolarHBondContact O-N 3.29Å; D525-N529 VanDerWaalsContact O-N 3.11Å; D525-N529 PolarHBondContact O-ND2 3.23Å; N529-S532 PolarHBondContact O-OG 2.87Å
530H49.7Very low53.1Low121 Ų121123 Ų12356%0.5664%0.635SS**Hα-helixtrans-79.3-32.6171.7-91.8-83.1000113.5C526 R527 Q528 S532 H1398C526-H530 PolarHBondContact O-CD2 3.14Å; R527-H530 PolarHBondContact O-N 3.35Å; Q528-H530 PolarHBondContact O-N 2.83Å; H530-S532 PolarHBondContact O-N 3.2Å; H530-H1398 AromaticContact NE2-NE2 3.86Å
531A44.6Very low49.9Very low81 Ų81124.3 Ų124.367%0.66965%0.651SS**Hα-helixtrans-68.2-32.8-177.400000113.3R527 Q528 S533R527-A531 PolarHBondContact O-N 2.82Å; Q528-A531 PolarHBondContact O-N 3.23Å; A531-S533 VanDerWaalsContact C-N 3.29Å; A531-S533 PolarHBondContact O-N 3.49Å
532S40.3Very low46.6Very low102 Ų102128.4 Ų128.471%0.71367%0.674SS**THydrogen-bonded Turntrans-77.4-5.2-177.4550000115.1Q528 N529 H530Q528-S532 PolarHBondContact O-N 2.88Å; N529-S532 PolarHBondContact O-OG 2.87Å; H530-S532 PolarHBondContact O-N 3.2Å
533S35.8Very low43.9Very low91 Ų91129.4 Ų129.464%0.63669%0.692SS**THydrogen-bonded Turntrans-97.3-2.2-175.3-166.90000115.6A531A531-S533 VanDerWaalsContact C-N 3.29Å; A531-S533 PolarHBondContact O-N 3.49Å
534H31.4Very low41Very low166 Ų166131 Ų13177%0.76971%0.713SS**  trans-126.157.9-172.9-87.4-75.2000115.2
535H30.9Very low38.4Very low130 Ų130134.3 Ų134.360%0.60273%0.727SS**  trans-145.175.4161.2-101.2-34.4000111.5R841H535-R841 PolarHBondContact NE2-NH1 2.78Å
536N27.6Very low35.7Very low164 Ų164137.3 Ų137.388%0.87775%0.753SS**  trans-166.875.5162.1-102.8-20.4000112.7
537T28.4Very low33.6Very low147 Ų147139.3 Ų139.390%0.90276%0.762SS**  trans-158.5100.7159.127.80000108.5
538K27.7Very low31.6Very low211 Ų211138.9 Ų138.992%0.91777%0.772SS**  trans-110.5137.6166-98-171.3173.8-174.50109.4
539E24.9Very low30.3Very low179 Ų179140.5 Ų140.584%0.83678%0.78SS**  trans-41.1134.3-174.3-65.2155.3170.900115.1
540E24.2Very low29.2Very low203 Ų203141 Ų14195%0.94979%0.789SS**  trans-76.6131.1170.1-64.2178.1132.800110.7
541S24.2Very low28Very low112 Ų112142 Ų14278%0.78380%0.799SS**  trans-114.711417462.40000112
542V23.3Very low27.2Very low141 Ų141144.4 Ų144.486%0.85581%0.805SS**  trans28.8129.7148.1-173.40000119.8
543S21.3Very low26.6Very low113 Ų113144 Ų14479%0.7980%0.802SS**  trans-59.9148.9174.756.60000117.2
544S23Very low26.2Very low115 Ų115149.3 Ų149.380%0.80482%0.817SS**  trans-139.4142.9149.760.60000112.5
545H21.1Very low26.1Very low187 Ų187148.3 Ų148.387%0.86682%0.817SS**  trans-52.8147.3-178.5-64.8-105.9000116.7
546S24.6Very low25.9Very low121 Ų121147.6 Ų147.685%0.84683%0.827SS**  -171157.311159.10000112.2
547V24.5Very low25.6Very low124 Ų124145.9 Ų145.975%0.75282%0.822SS**  trans-113.2146.8-178172.60000108.9
548D27Very low25.5Very low156 Ų156145.2 Ų145.283%0.83482%0.818SS**  trans178.3160.3134.3-88.4-26.5000112.9
549H28.7Very low25.5Very low170 Ų170140.7 Ų140.779%0.78781%0.81SS**  trans-114.9155.6-179.8-74.2-2.7000111
550P30.5Very low25.5Very low127 Ų127137.7 Ų137.783%0.82581%0.809SS**  -147.6159.710835.3-18.4000116.9
551N23.9Very low25.3Very low142 Ų142138.1 Ų138.176%0.75980%0.803SS**  trans-80.4177.8166.5-63.9-46.6000110.4
552T28.5Very low25.3Very low132 Ų132140.8 Ų140.881%0.8180%0.803SS**  cis-163.3166.328.7-28.50000111.6
553S26.8Very low25.4Very low93 Ų93139.9 Ų139.965%0.6579%0.793SS**  trans-68158.3179.353.80000117.3
554H28.3Very low25.4Very low202 Ų202143 Ų14394%0.93580%0.796SS**  trans-154.6162.8141.5-98.2-69.1000111.8
555D27.8Very low25.4Very low146 Ų146142.7 Ų142.778%0.78179%0.793SS**  trans-137.1145.2-163.217723.9000110.8
556S27.3Very low25.7Very low115 Ų115141 Ų14180%0.80480%0.796SS**  trans-176.1118163130000116.6
557T22.5Very low25.7Very low127 Ų127141.2 Ų141.278%0.77980%0.797SS**  trans-8135.9145.5-46.60000121.1
558V24.4Very low25.7Very low134 Ų134138.9 Ų138.981%0.81280%0.799SS**  176.3139.1121.71510000111.3
559P28.9Very low25.8Very low115 Ų115138.4 Ų138.475%0.74780%0.796SS**  trans-111.9151.6178.839.2-31000114.8
560S23.9Very low25.7Very low116 Ų116137.5 Ų137.581%0.81179%0.794SS**  trans-168.5158.2144.1-152.20000115.7
561Y19.8Very low25.5Very low212 Ų212133 Ų13383%0.83177%0.765SS**  trans-56.4149.8176.3-66.9-111.7000116.3
562Q26.2Very low25.7Very low169 Ų169133.7 Ų133.779%0.7977%0.769SS**  172.1147103.1-91.5-174.4-0.700113.5
563N23.7Very low25.8Very low121 Ų121132.4 Ų132.465%0.64777%0.765SS**  trans43.8108.1150.5-58.5-22.6000119.7
564Q23.1Very low25.4Very low180 Ų180131.1 Ų131.184%0.84176%0.756SS**  80.3136.180.2-80-169.16.900116.3
565S22.7Very low25.3Very low108 Ų108127.9 Ų127.976%0.75574%0.74SS**  trans87.399.7165.873.60000120.2
566V25.7Very low25.3Very low152 Ų152125.5 Ų125.592%0.92174%0.741SS**  41.789.4125.1-1690000117.5
567S25.1Very low25.6Very low124 Ų124124.3 Ų124.387%0.86773%0.73SS**  trans-153.6150149.157.40000110
568G25.1Very low25.7Very low76 Ų76124.7 Ų124.778%0.78473%0.732SS**  trans-175.739.8-172.800000113.4
569N28.3Very low25.7Very low146 Ų146122.8 Ų122.878%0.78173%0.725SS**  trans-143.147.2176.7-142.239.7000110.8
570M26.8Very low25.9Very low151 Ų151123.4 Ų123.474%0.74473%0.726SS**  trans-113.8137.5158.1-83.3-171.26400105.5S573M570-S573 PolarHBondContact O-N 2.94Å
571S27.4Very low25.9Very low32 Ų32122.9 Ų122.922%0.22472%0.723CS.*SBend80.793.851.690.60000113.7S574 F575S571-S574 WeakPolarHBondContact CA-O 3.23Å; S571-S574 VanDerWaalsContact CB-O 3.25Å; S571-S574 WeakPolarHBondContact CB-O 3.36Å; S571-S574 PolarHBondContact N-O 3.37Å; S571-F575 VanDerWaalsContact CB-N 3.33Å; S571-F575 WeakPolarHBondContact CB-O 3.39Å; S571-F575 PolarHBondContact OG-O 3.43Å
572N26.6Very low26.4Very low156 Ų156118.1 Ų118.183%0.83472%0.721SS**SBend53.260.9-1239.6-28.1000109.4S574N572-S574 WeakPolarHBondContact OD1-CA 3.41Å
573S30.5Very low26.6Very low105 Ų105115.2 Ų115.273%0.73472%0.719SS**SBendcis-79.7-51.349.6-150.50000115.8M570M570-S573 PolarHBondContact O-N 2.94Å
574S20.4Very low26.6Very low66 Ų66117.6 Ų117.646%0.46273%0.73SS.*SBendtrans-171.2158.9166.742.50000109.1S571 N572S571-S574 WeakPolarHBondContact CA-O 3.23Å; S571-S574 VanDerWaalsContact CB-O 3.25Å; S571-S574 WeakPolarHBondContact CB-O 3.36Å; S571-S574 PolarHBondContact N-O 3.37Å; N572-S574 WeakPolarHBondContact OD1-CA 3.41Å
575F25.8Very low26.7Very low134 Ų134114.2 Ų114.259%0.58872%0.724SS**  trans11567.9-175.5-59.9-58.2000118.3S571S571-F575 VanDerWaalsContact CB-N 3.33Å; S571-F575 WeakPolarHBondContact CB-O 3.39Å; S571-F575 PolarHBondContact OG-O 3.43Å
576A28Very low26.8Very low97 Ų97115.9 Ų115.980%0.80273%0.729SS**  -55.4122.396.900000112.2
577P32.1Very low26.7Very low90 Ų90113.4 Ų113.458%0.58472%0.718SS**  cis-134.5148.445.840.7-26.9000116.2S579P577-S579 WeakPolarHBondContact CB-O 3.19Å
578T25.4Very low26.6Very low134 Ų134113.1 Ų113.182%0.82271%0.712SS**  trans-67.9126.2138.425.50000108.9
579S24.4Very low26.5Very low95 Ų95117 Ų11766%0.66471%0.711SS**  trans65.7147.2172.3850000114.8P577P577-S579 WeakPolarHBondContact CB-O 3.19Å
580V32.3Very low26.3Very low127 Ų127115.2 Ų115.277%0.7771%0.71SS**  cis-140.6137.115.1-103.80000110
581S25.2Very low26.1Very low106 Ų106115.6 Ų115.674%0.74172%0.716SS**  trans6143.6132.1-540000120.5
582S29.2Very low26.1Very low112 Ų112118.5 Ų118.578%0.78374%0.736SS**  trans104.4129.3142.874.90000119.9
583S30Very low25.9Very low108 Ų108118.6 Ų118.676%0.75574%0.736SS**  trans56.9104.615953.10000120.1
584I24.7Very low25.5Very low170 Ų170118.7 Ų118.787%0.87274%0.737SS**  trans-123.8121.7151.9-67.7165.1000108.8
585P25.5Very low25.6Very low110 Ų110122 Ų12271%0.71475%0.754SS**  trans-95.1146.8160.234.9-28.9000112.1
586V24.1Very low25.7Very low143 Ų143121.1 Ų121.187%0.86776%0.764SS**  trans-18.5122165.4-177.30000117.7
587S24.2Very low25.4Very low99 Ų99121.4 Ų121.469%0.69276%0.761SS**  trans-171.1120.4130.855.70000115.2
588T22.7Very low25.2Very low119 Ų119124.5 Ų124.573%0.7377%0.772SS**  trans63.2131.9141.951.40000123.9
589M23.2Very low25Very low156 Ų156128.3 Ų128.377%0.76878%0.778SS**  trans66.3112.6163.7-52.5-55.2111.700115.9
590S23.3Very low25.2Very low110 Ų110133.1 Ų133.177%0.76979%0.787SS**  cis76.294.542.4-51.10000113.5
591D23.6Very low24.8Very low159 Ų159134.4 Ų134.485%0.8579%0.788SS**  trans-143.4151167.9-126.9-25.3000112.4
592S26.9Very low24.7Very low92 Ų92139.1 Ų139.164%0.64380%0.796SS**  trans24.2109.8163.4620000119.7
593N22.6Very low24.5Very low158 Ų158137.2 Ų137.285%0.84579%0.794SS**  89.1132.570.5-88.5-28000116.8
594S22.7Very low24.2Very low108 Ų108140.7 Ų140.776%0.75580%0.803SS**  trans100.7147.5140.882.60000120.8
595V22.3Very low24.3Very low136 Ų136135.6 Ų135.682%0.82479%0.793SS**  trans69.287.4166.1-164.60000117.6
596S26.7Very low24.5Very low114 Ų114138 Ų13880%0.79780%0.796SS**  -149.8132.8127.659.40000111.8
597S22.1Very low24.5Very low104 Ų104141.4 Ų141.473%0.72780%0.8SS**  trans-84.9124.4-18052.30000111.2
598N28.6Very low24.7Very low154 Ų154142.3 Ų142.382%0.82480%0.801SS**  trans-152.890.5162.4-95.2-48.2000111.4K600N598-K600 PolarHBondContact O-N 2.78Å
599F19.6Very low24.9Very low214 Ų214142.1 Ų142.194%0.93980%0.8SS**  trans-72.4103.5171.6-85.9-98.3000110.5
600K29.4Very low25.1Very low196 Ų196142.4 Ų142.485%0.85280%0.804SS**  trans-137112.4164.2-94.6-175.3-179.2175.70112.9N598N598-K600 PolarHBondContact O-N 2.78Å
601L23.9Very low25.3Very low154 Ų154149.2 Ų149.281%0.80681%0.813SS**  trans51104.7132.9-162.173.5000118.6G603L601-G603 PolarHBondContact O-N 2.97Å
602F24.1Very low25.7Very low205 Ų205146 Ų14690%0.89980%0.803SS**  trans-287.2153.8-65.8-86.4000117
603G24Very low25.8Very low72 Ų72145.7 Ų145.774%0.74281%0.806SS**  trans-84.3143.4162.800000111.4L601L601-G603 PolarHBondContact O-N 2.97Å
604L24.4Very low26.2Very low181 Ų181145.7 Ų145.795%0.94881%0.805SS**  trans-70.6146.7-179.6-7373.1000112.2
605G26Very low26.5Very low63 Ų63145.8 Ų145.865%0.64980%0.803SS**  trans115.3165.8160.300000115.7
606M30.2Very low26.8Very low160 Ų160148.2 Ų148.279%0.78880%0.803SS**  trans79.632.8171.6-43.4-54.8-79.300118.9T608M606-T608 VanDerWaalsContact C-N 3.32Å; M606-T608 PolarHBondContact O-N 3.13Å
607F24.8Very low26.8Very low215 Ų215150 Ų15094%0.94380%0.802SS**  trans-90.451157.8-86.3-71.4000112.5
608T27Very low26.9Very low119 Ų119154 Ų15473%0.7381%0.806SS**SBendtrans-137.919.4-178.252.80000116.5M606M606-T608 VanDerWaalsContact C-N 3.32Å; M606-T608 PolarHBondContact O-N 3.13Å
609T27.8Very low26.6Very low115 Ų115157.8 Ų157.871%0.70681%0.809SS**SBendtrans-151.249.9173.536.40000115.7
610L27.9Very low27.1Very low161 Ų161157 Ų15784%0.84381%0.805SS**  trans-140.565.8153.4-82.6-172.1000111.6S612L610-S612 PolarHBondContact O-N 3.44Å
611R27.2Very low27.2Very low253 Ų253153.5 Ų153.596%0.95580%0.802SS**  trans-93.149.9159.1-143.9178.2-157.4-130.86.6109.5A613R611-A613 PolarHBondContact O-N 2.79Å; R611-A613 VanDerWaalsContact O-N 3.11Å
612S30.8Very low27.4Very low92 Ų92157.5 Ų157.564%0.64381%0.806SS**  trans-62113169.939.30000107.7L610 L614L610-S612 PolarHBondContact O-N 3.44Å; S612-L614 PolarHBondContact O-N 2.72Å; S612-L614 VanDerWaalsContact O-N 3.13Å
613A30.4Very low27.8Very low86 Ų86153 Ų15371%0.71180%0.798SS**PPolyproline II helixtrans-64.5117.7-179.700000109R611R611-A613 PolarHBondContact O-N 2.79Å; R611-A613 VanDerWaalsContact O-N 3.11Å
614L30.4Very low28.1Very low157 Ų157155.7 Ų155.782%0.82280%0.802SS**PPolyproline II helixtrans-46.3132.1162.5-91.1147.6000108.5S612 K616S612-L614 PolarHBondContact O-N 2.72Å; S612-L614 VanDerWaalsContact O-N 3.13Å; L614-K616 PolarHBondContact O-N 3.14Å
615P29.1Very low28.4Very low110 Ų110152.4 Ų152.471%0.71480%0.795SS**PPolyproline II helixtrans-52.5120.8-177.5-27.734.7000110.1I617P615-I617 PolarHBondContact O-N 3.04Å
616K27.9Very low28.7Very low188 Ų188155.5 Ų155.582%0.81780%0.803SS**  trans-67.188.8173.5-68.8-178-178.9177.70107.8L614 K618L614-K616 PolarHBondContact O-N 3.14Å; K616-K618 PolarHBondContact O-N 2.91Å
617I26.5Very low28.7Very low152 Ų152150.8 Ų150.878%0.77980%0.796SS**  trans-60.694.5164.5-63178.5000105.8P615 R619P615-I617 PolarHBondContact O-N 3.04Å; I617-R619 VanDerWaalsContact C-N 3.29Å; I617-R619 PolarHBondContact O-N 3.35Å
618K24.1Very low28.9Very low187 Ų187146.8 Ų146.881%0.81379%0.791SS**  trans-64.791177.3-73.6178.8177.7175.60107.6K616 K620K616-K618 PolarHBondContact O-N 2.91Å; K618-K620 VanDerWaalsContact C-N 3.31Å; K618-K620 PolarHBondContact O-N 3.33Å
619R23.3Very low29.1Very low234 Ų234148.8 Ų148.888%0.88380%0.796SS**  trans-58.3101158.5-78.7-174.9160.8128-2.8106.7I617 P621I617-R619 VanDerWaalsContact C-N 3.29Å; I617-R619 PolarHBondContact O-N 3.35Å; R619-P621 WeakPolarHBondContact O-CD 3.37Å
620K29.2Very low29Very low198 Ų198148.7 Ų148.786%0.86180%0.797SS**PPolyproline II helixtrans-56.2120.4171.9-77.7-177.6174.8178.40106.9K618K618-K620 VanDerWaalsContact C-N 3.31Å; K618-K620 PolarHBondContact O-N 3.33Å
621P31.8Very low29Very low122 Ų122147.9 Ų147.979%0.79279%0.793SS**PPolyproline II helixtrans-63.6142.7176.426.7-33.1000109.4R619R619-P621 WeakPolarHBondContact O-CD 3.37Å
622R27.5Very low29Very low237 Ų237143.3 Ų143.389%0.89479%0.787SS**PPolyproline II helixtrans-63.9134.1-179-154.9176.2-146.6-1325109.2
623P32.5Very low28.7Very low112 Ų112144.1 Ų144.173%0.72779%0.789SS**PPolyproline II helixtrans-62.8138.2-177.323.7-33.7000111.6
624P32.2Very low28.5Very low127 Ų127146.3 Ų146.383%0.82579%0.793SS**PPolyproline II helixtrans-72.1141.6174.530.4-33.8000110.7
625S29.7Very low28.1Very low113 Ų113143 Ų14379%0.7979%0.788SS**PPolyproline II helixtrans-68.9149.7-179.647.30000112.5
626P32.4Very low27.8Very low128 Ų128142.4 Ų142.483%0.83179%0.787SS**PPolyproline II helixtrans-69.2138.2-169.5-1731.7000113
627G29.3Very low27.6Very low61 Ų61138.9 Ų138.963%0.62978%0.781SS**PPolyproline II helixtrans-73.8146170.800000112
628P30.9Very low27.5Very low131 Ų131136.5 Ų136.585%0.85178%0.778SS**PPolyproline II helixtrans-74131.7-176.629.6-34.3000112.2
629I30.6Very low27.6Very low161 Ų161136 Ų13683%0.82678%0.776SS**PPolyproline II helixtrans-82.5143.3174.7-70.1168.1000109.8
630P26.4Very low27.6Very low112 Ų112129.2 Ų129.273%0.72776%0.76SS**PPolyproline II helixtrans-84.3170.5-166.6-10.129.5000115.4
631L27.7Very low27.3Very low144 Ų144127.9 Ų127.975%0.75476%0.757SS**  trans-40146.2179.2-67.379000116.7
632N25.6Very low27Very low157 Ų157126.6 Ų126.684%0.8475%0.751SS**  -162.2121.5116.4-86.4-38.9000108.2
633T24.2Very low26.8Very low110 Ų110122.5 Ų122.568%0.67575%0.746SS**  70.574.264.1-48.50000114.1
634V27Very low26.6Very low131 Ų131123.3 Ų123.379%0.79475%0.749SS**  trans-151.9121.8141-142.40000105
635A22.9Very low26.2Very low87 Ų87124 Ų12472%0.71974%0.744SS**  34.3133.286.500000113
636S22.3Very low26Very low99 Ų99123 Ų12369%0.69274%0.736SS**  cis-173.3150.138.247.70000111.6
637T24.4Very low25.6Very low114 Ų114125 Ų12570%0.69973%0.734SS**  trans42.8120.7140.959.80000121
638S23.7Very low25.4Very low102 Ų102130 Ų13071%0.71375%0.747SS**  trans70.3162137.480.40000115.6
639K25.4Very low25Very low177 Ų177126.9 Ų126.977%0.7774%0.738SS**  cis-162.2171.717.6-143.4158.6-177.6-175.60107.4
640T23.3Very low24.9Very low91 Ų91128 Ų12856%0.55874%0.74SS**  trans15.1139.314057.80000118.8
641E23.9Very low24.6Very low170 Ų170129.7 Ų129.779%0.79474%0.743SS**  cis-172.7-170.614.9-119.7150.8-162.100109.3
642S24.3Very low24.5Very low94 Ų94128.6 Ų128.666%0.65774%0.742SS**  trans-26.7142.9164.855.40000117.4
643L25Very low24.4Very low152 Ų152128.1 Ų128.180%0.79674%0.74SS**  -155.8123.5115.2-13273.2000112.2I645L643-I645 HydrophobicContact CD2-CD1 4.05Å
644T27.2Very low24.3Very low129 Ų129132.1 Ų132.179%0.79175%0.748SS**  trans-79.5148.1158.7-28.70000108.3
645I25.2Very low24Very low141 Ų141137.4 Ų137.472%0.72375%0.754SS**  trans-173139.5154-102.6148.8000111.2L643L643-I645 HydrophobicContact CD2-CD1 4.05Å
646C24.7Very low24.1Very low91 Ų91138.1 Ų138.162%0.61575%0.754SS**  trans24.7128.5152.2-60.50000120.6
647Q24.4Very low24.1Very low170 Ų170141.9 Ų141.979%0.79476%0.757SS**  73.715972.5-75.8179.7-39.900114.2
648D24.6Very low24.1Very low166 Ų166143.9 Ų143.989%0.88876%0.762SS**  trans70.9139.3-175.4-50-31000114.9
649G23.1Very low24.1Very low66 Ų66145 Ų14568%0.6876%0.76SS**  cis149.7159.30.200000110.9
650Q26.6Very low24Very low184 Ų184144.6 Ų144.686%0.8677%0.766SS**  trans7487.5164.3-54.3-173.53.400118.5V652Q650-V652 PolarHBondContact O-N 2.83Å
651N22.1Very low24Very low148 Ų148149.6 Ų149.679%0.79178%0.78SS**  trans-32.9121.7139.6-161.5-10.5000113.6
652V25.7Very low24Very low122 Ų122149.8 Ų149.874%0.73979%0.785SS**  trans-140106.2165.8-104.10000110.8Q650Q650-V652 PolarHBondContact O-N 2.83Å
653N22.1Very low23.9Very low146 Ų146154 Ų15478%0.78179%0.794SS**  trans-74.4121.9168.2-91.5-58000110.4
654F23.1Very low24Very low194 Ų194150.2 Ų150.285%0.85179%0.792SS**  trans-121.7114.3159.5-102.6-78.3000111.4
655R19.7Very low23.8Very low242 Ų242149.8 Ų149.891%0.91379%0.794SS**  trans-90.6123.5169.2-89.7177.5160.6-179.5-3.8110.2
656S25Very low23.9Very low103 Ų103148.4 Ų148.472%0.7280%0.795SS**  trans-174.5111.2152.150.10000105.9
657K22.9Very low23.9Very low177 Ų177150.8 Ų150.877%0.7781%0.806SS**  cis57.682.646.7-157.5178-172.3178.50114.1D659K657-D659 WeakPolarHBondContact CE-OD2 3.42Å
658I24.5Very low23.7Very low157 Ų157154.4 Ų154.481%0.80581%0.813SS**  trans-131.1111.3145.3-63.3-177000106.7
659D22.9Very low23.8Very low125 Ų125156.1 Ų156.167%0.66881%0.812SS**  trans-88.9129.5169.7-65.1-67.1000108.7K657K657-D659 WeakPolarHBondContact CE-OD2 3.42Å
660L23.6Very low23.9Very low168 Ų168160.9 Ų160.988%0.8882%0.822SS**  trans-127.2126.5160.1-85.6172.7000109.5
661K23.4Very low23.7Very low196 Ų196164.5 Ų164.585%0.85283%0.828SS**  trans-73.3139.8-170.4-67.6172.5174.2177.90111.4
662L24.3Very low23.8Very low174 Ų174161.1 Ų161.191%0.91183%0.828SS**  trans-106.6126.6158.9-14979.3000108.2
663E22.2Very low23.7Very low183 Ų183160.8 Ų160.886%0.85583%0.831SS**  trans-70.2136.3177.8-72.6-88.312900110.7
664G25.9Very low23.8Very low73 Ų73161.3 Ų161.375%0.75383%0.833SS**  trans-133.911317900000111.8
665S23.6Very low23.8Very low119 Ų119159.8 Ų159.883%0.83283%0.831SS**  trans-73.7158.6-177.8-550000113.1
666P27.9Very low24.1Very low113 Ų113156.9 Ų156.973%0.73483%0.827SS**  trans-97.1150.4-145.335.8-36.8000116.2
667V24.9Very low24Very low140 Ų140161.2 Ų161.285%0.84883%0.833SS**  trans-116.8120.6158174.50000107.9K669V667-K669 PolarHBondContact O-N 3.33Å
668W20.2Very low24.2Very low247 Ų247157.8 Ų157.894%0.93684%0.838SS**  trans-65.2128.7-177.7-78.3-33.9000112.3
669K25Very low24.1Very low202 Ų202155 Ų15588%0.87883%0.832SS**  trans-114.3156.2163.6-80.6-175.1174.7179.50110.4V667V667-K669 PolarHBondContact O-N 3.33Å
670N26Very low24.2Very low165 Ų165156.3 Ų156.388%0.88284%0.839SS**  trans-57.5145.1-165.5-71.2-25.8000115.1
671R22.9Very low24.4Very low260 Ų260154.1 Ų154.198%0.98183%0.833SS**  trans-66.9133.3165.2-61.5179.8180-160.8-0.7109.3
672G23.3Very low24.4Very low78 Ų78149.7 Ų149.780%0.80483%0.827SS**  trans-178.345.1-177.500000116.5
673S23.5Very low24.4Very low114 Ų114146 Ų14680%0.79782%0.816SS**  trans-179.8121.6149.4-174.40000110.5
674L25Very low24.5Very low158 Ų158142 Ų14283%0.82781%0.807SS**  trans-150.9112.3151.6-17562.5000108.9
675M23Very low24.9Very low161 Ų161146 Ų14679%0.79381%0.812SS**  trans-89.9133.7168.4-70.1-170.874.500110.8
676Q26.2Very low25Very low181 Ų181148.5 Ų148.585%0.84681%0.81SS**  trans-130.7107.5146.2-71178-51.400104
677K23.1Very low24.9Very low195 Ų195149.1 Ų149.185%0.84881%0.808SS**  68.372.355.2-152.2-179.9-169.8-177.80112.1
678A26.1Very low25Very low105 Ų105149.7 Ų149.787%0.86881%0.806SS**  trans-114.5121152.900000107.3
679S23.6Very low25.2Very low97 Ų97141 Ų14168%0.67879%0.794SS**  trans-97.3144.7172.647.90000109.1
680D23.7Very low25Very low153 Ų153141.1 Ų141.182%0.81880%0.797SS**  trans-172.1151.4150.1-94.6-26.3000111.8
681T29.2Very low25.1Very low122 Ų122139.2 Ų139.275%0.74879%0.791SS**  trans63.4115.817058.20000117.3
682S23.8Very low25.1Very low103 Ų103134.5 Ų134.572%0.7279%0.786SS**  57.9136.164.777.10000113.8
683S24.1Very low25.4Very low97 Ų97137.8 Ų137.868%0.67878%0.783SS**  cis-177.2159.6-10.446.80000106.2
684S24.5Very low25.4Very low98 Ų98144 Ų14469%0.68579%0.789SS**  trans48.4116.8162.756.10000117.6
685D33.8Very low25.6Very low159 Ų159139.9 Ų139.985%0.8579%0.785SS**  -161.8143.285.5-83.9-30000112.5
686E25.1Very low25.6Very low170 Ų170141.7 Ų141.779%0.79479%0.788SS**  trans-88.6144.1165.7-56.4-177.9146.900110
687N26.5Very low25.5Very low127 Ų127139.2 Ų139.268%0.67979%0.785SS**  166.1146.9119.9-98.7-69000114.8
688N27.2Very low25.7Very low151 Ų151134.8 Ų134.881%0.80778%0.779SS**  trans58.2138.8150-57.5-33.1000118.9
689G24.1Very low25.6Very low66 Ų66139 Ų13968%0.6878%0.781SS**  cis141.71207.900000109.1
690E21.5Very low25.8Very low203 Ų203139.6 Ų139.695%0.94979%0.785SS**  trans-63.9136-178.2-64.2176.2110.200112.2
691V26.5Very low25.9Very low126 Ų126138 Ų13876%0.76479%0.786SS**  trans-135.6124.6163.4176.90000109.8I693V691-I693 HydrophobicContact CG1-CD1 3.87Å; V691-I693 HydrophobicContact CG1-CG1 3.91Å
692N23.6Very low25.8Very low161 Ų161136.1 Ų136.186%0.86179%0.791SS**  trans-115.3118.9-176.4-175.6-4.4000108.9
693I30Very low25.9Very low146 Ų146135.9 Ų135.975%0.74979%0.789SS**  trans-133.1138-177-65.2179.9000111.9V691V691-I693 HydrophobicContact CG1-CD1 3.87Å; V691-I693 HydrophobicContact CG1-CG1 3.91Å
694R22.6Very low25.8Very low244 Ų244139.7 Ų139.792%0.92180%0.796SS**  trans-84.7151.8-177.8-72.6167.1154.4174.9-6.5114.3
695G29.2Very low25.8Very low73 Ų73139.9 Ų139.975%0.75380%0.798SS**  trans167.2114.115700000108.7
696K24.1Very low25.5Very low198 Ų198137.8 Ų137.886%0.86180%0.795SS**  cis83.4130.630-148.1-164.7-173.9-171.70113.5
697V23.4Very low25.5Very low129 Ų129138 Ų13878%0.78280%0.799SS**  trans79138.1170.4-167.10000113.1
698S26.6Very low25.5Very low102 Ų102140 Ų14071%0.71380%0.804SS**  cis-153.6156.4627.30000112.6
699E24.9Very low25.5Very low194 Ų194140.3 Ų140.391%0.90780%0.801SS**  trans-88.6144.7159.6-59.4169.7140.100111.4
700S27.3Very low25.6Very low109 Ų109144 Ų14476%0.76281%0.81SS**  trans176.7143.2160.554.30000107.9
701S26.5Very low25.7Very low120 Ų120139.7 Ų139.784%0.83979%0.794SS**  cis-173.7146.3-1.944.60000107.1
702G27Very low25.7Very low83 Ų83140.7 Ų140.786%0.85679%0.79SS**  trans168.795.4175.500000113
703S24.4Very low25.7Very low98 Ų98139.5 Ų139.569%0.68578%0.782SS**  trans-95.9180-176.446.20000112.9
704E23.5Very low25.6Very low176 Ų176137.5 Ų137.582%0.82278%0.777SS**  trans76.4145.3162.1-63.5163-152.400116.8
705S23.9Very low26Very low103 Ų103132 Ų13272%0.7278%0.776SS**  cis156.995.8-31.253.20000107.5
706S28.2Very low26Very low114 Ų114135.5 Ų135.580%0.79778%0.777SS**  trans-169.2117.7164.243.10000105.7
707M24.7Very low26.1Very low175 Ų175137.7 Ų137.786%0.86278%0.78SS**  cis59.384.449.7-158.7-178.6101.300112.4
708E26.9Very low26.2Very low168 Ų168138 Ų13879%0.78578%0.782SS**  trans-168.1146.1136.4-108.7164.6-173.100113.9
709Q25.9Very low26.2Very low159 Ų159143.7 Ų143.774%0.74379%0.788SS**  trans52.582.4155.8-69.4174.2-13.100120.3
710T26.6Very low26.1Very low144 Ų144141 Ų14188%0.88378%0.78SS**  trans-91.590139.652.60000110.3
711D24.8Very low26.1Very low112 Ų112147.1 Ų147.160%0.59979%0.786SS**  trans-88111159.5-88-45.9000108
712Q25.2Very low25.8Very low146 Ų146147 Ų14768%0.68278%0.784SS**  83.8128.788.9-85-167.479.500114.1
713I24.5Very low25.7Very low137 Ų137148.1 Ų148.170%0.70378%0.779SS**  trans71.6125.3150.4-64.2164.8000115.4
714T27.9Very low26.2Very low103 Ų103148.7 Ų148.763%0.63278%0.78SS**  cis-160.5146.2-1.217.50000109.7
715S31.2Very low26.2Very low129 Ų129148 Ų14890%0.90278%0.775SS**  trans-158.391.9155.5-80.50000109.6R717S715-R717 PolarHBondContact O-N 2.98Å
716D27.5Very low26.1Very low147 Ų147149.4 Ų149.479%0.78677%0.769SS**  trans-65.8123.2-178.1-69.6-65.3000112.9
717R27.2Very low26Very low244 Ų244150.6 Ų150.692%0.92176%0.762SS**  trans-174.594.5133.5-109.5172.3169.4158.7-1.5113.5S715S715-R717 PolarHBondContact O-N 2.98Å
718V25.9Very low26Very low136 Ų136148.8 Ų148.882%0.82475%0.752SS**  trans-141.9148.1156.4-167.70000108.6
719R25.5Very low26.1Very low221 Ų221147.7 Ų147.783%0.83475%0.751SS**  trans77.6153.6175.8-58.5-174.4-176.5155.14116.5
720N24.4Very low26Very low138 Ų138147.3 Ų147.374%0.73875%0.747SS**  cis-172.1171-33.3-105.2-7.1000107.7
721R26.2Very low25.9Very low236 Ų236149.3 Ų149.389%0.89175%0.746SS**  trans97.6115.8167.2-56.3164.4178.8178.4-1112.8
722C21.1Very low26.1Very low117 Ų117147.3 Ų147.379%0.79175%0.752SS**  72.710051.5-69.40000115.2
723S24.8Very low25.9Very low108 Ų108150.7 Ų150.776%0.75576%0.76SS**  trans82.6166.1131.6-41.90000116.7
724P34.9Very low26.1Very low109 Ų109151.9 Ų151.971%0.70876%0.762SS**  -131.8-155.9-97.634.9-12.4000112.1
725K22.7Very low25.9Very low163 Ų163154.5 Ų154.571%0.70977%0.767SS**  trans92.1152.1175.1-59.7167.5159.6-108.10114.2
726E22.1Very low25.6Very low131 Ų131155.2 Ų155.261%0.61277%0.766SS**  cis-161.7-169.2-6.2-112.2153-172.400107.9
727H26.9Very low25.3Very low140 Ų140158.2 Ų158.265%0.64877%0.766SS**  trans80.5115169.1-62.8-83.4000117.2
728Q23.3Very low25.2Very low137 Ų137155.5 Ų155.564%0.6476%0.761SS**  70.3123.175.1-65.5168.21500110.3
729D29.5Very low25Very low145 Ų145159.8 Ų159.878%0.77576%0.762SS**  cis-135.2154.946.5-70.4-51.3000113.4
730K23.3Very low25Very low151 Ų151155.3 Ų155.366%0.65777%0.765SS**  cis8512838.2-79.8-169.8177.4176.70116.3
731H25Very low25Very low185 Ų185151.8 Ų151.886%0.85676%0.761SS**  trans81.5115.3167.2-57.6-67.8000119.5
732G28.9Very low25.2Very low71 Ų71147 Ų14773%0.73276%0.758SS**  trans177.864.8177.600000116.3
733Y22.2Very low25.4Very low216 Ų216146.7 Ų146.785%0.84776%0.758SS**  trans46.2143150.9-79.2-82.5000125.3
734H27Very low25.6Very low163 Ų163153.1 Ų153.176%0.75577%0.765SS**  trans67.5101.5152.3-81.9-66.6000122.9
735H23.5Very low25.3Very low157 Ų157155.7 Ų155.773%0.72777%0.772SS**  trans-35.7132.7141.3-78.4-87.6000114.9
736V24.8Very low25.5Very low145 Ų145155.6 Ų155.688%0.87978%0.78SS**  -143.8132.3108.5166.10000109.6
737R22.3Very low25.9Very low210 Ų210156.4 Ų156.479%0.79279%0.788SS**  trans-75.4147.6171.7-70.1166.1158.6152.4-10111
738K24.6Very low25.9Very low186 Ų186159.6 Ų159.681%0.80980%0.8SS**  -179.5131.9109.5-97.4161.4-174.3176.30115.2
739R23.1Very low25.9Very low226 Ų226164 Ų16485%0.85381%0.813SS**  trans70.792.3147.1-66.9-179.9174169.3-3.7119.7
740S24.6Very low25.6Very low127 Ų127166 Ų16689%0.88882%0.817SS**  trans-74.5162.6132.149.80000111.4
741G25Very low25.5Very low64 Ų64168 Ų16866%0.6682%0.822SS**  trans170.2108.4168.900000114.5
742T28.5Very low25.6Very low136 Ų136165.4 Ų165.483%0.83482%0.819SS**  trans63.3108.3173.667.10000116.2
743S26.9Very low25.3Very low111 Ų111171 Ų17178%0.77682%0.818SS**  82.165.354.380.30000115.3
744R27.7Very low25.5Very low242 Ų242165.2 Ų165.291%0.91381%0.809SS**  trans-143.5112.1158.8-75.4-174.3176.3174.4-1.3109.7
745L29.1Very low25.3Very low163 Ų163166.9 Ų166.985%0.85382%0.817SS**  trans-136.791.5158.7-90.5173.1000107.2
746N26.7Very low25.4Very low162 Ų162164.5 Ų164.587%0.86682%0.818SS**  trans-109.399.1166.7-93.9-10.6000106
747D30.9Very low25.5Very low147 Ų147167 Ų16779%0.78682%0.817SS**  trans-114.4120161.5-88-47.4000108.8Y749D747-Y749 PolarHBondContact O-N 2.83Å
748K27Very low25.5Very low208 Ų208167.1 Ų167.190%0.90482%0.824SS**PPolyproline II helixtrans-79.7116.1-176.3-72.5178173.5-179.50109.1
749Y22.3Very low25.6Very low230 Ų230163.1 Ų163.190%0.90282%0.817SS**PPolyproline II helixtrans-71.4150.4163.5-105.2-91.9000111.5D747D747-Y749 PolarHBondContact O-N 2.83Å
750E25.2Very low25.8Very low185 Ų185157.5 Ų157.586%0.86481%0.812SS**PPolyproline II helixtrans-64.3168.2166.7-92-176.1128.200113.2V752E750-V752 PolarHBondContact O-N 3.3Å
751Y21.1Very low25.8Very low194 Ų194161.9 Ų161.976%0.76182%0.815SS**PPolyproline II helixtrans-48.5116.5-175.1-159.5-114.1000115.1R753Y751-R753 HydrophobicContact CD1-CB 4.02Å; Y751-R753 HydrophobicContact CE1-CB 3.79Å; Y751-R753 PolarHBondContact O-N 3.31Å
752V25.4Very low25.8Very low131 Ų131163.8 Ų163.879%0.79482%0.819SS**  trans-74.4114.5160174.20000108.7E750E750-V752 PolarHBondContact O-N 3.3Å
753R23.5Very low25.7Very low189 Ų189161.9 Ų161.971%0.71381%0.811SS**  trans-137.376.5151.2-158.3170.4-166.3167.76.5112.3Y751 Q755Y751-R753 HydrophobicContact CD1-CB 4.02Å; Y751-R753 HydrophobicContact CE1-CB 3.79Å; Y751-R753 PolarHBondContact O-N 3.31Å; R753-Q755 PolarHBondContact O-N 2.79Å
754S25.6Very low25.5Very low94 Ų94165.2 Ų165.266%0.65781%0.814SS**  trans23.293.213560.20000116.6
755Q23.4Very low25.4Very low197 Ų197163.2 Ų163.292%0.92181%0.812SS**  trans-94.4109.4151.5-77-162.2-300109.5R753 K757R753-Q755 PolarHBondContact O-N 2.79Å; Q755-K757 PolarHBondContact O-N 2.7Å
756S26.3Very low25.1Very low108 Ų108159.5 Ų159.576%0.75580%0.8SS**  trans-80.7108.5167.749.80000110.1
757K26.6Very low25.2Very low198 Ų198160.1 Ų160.186%0.86180%0.797SS**  trans23.1107.3145.7-61.7178.1178.4179.60117.4Q755Q755-K757 PolarHBondContact O-N 2.7Å
758F22.8Very low24.9Very low211 Ų211159.6 Ų159.693%0.92580%0.795SS**  trans-113.3127.8138.2-101.4-82.5000108.4
759P26.5Very low24.8Very low103 Ų103156.8 Ų156.867%0.66979%0.788SS**  trans-92.6156.4172.835.8-32.4000112.5
760S27Very low24.8Very low108 Ų108156.7 Ų156.776%0.75579%0.786SS**  trans45.1107.3152.356.50000119.8
761K24.2Very low25Very low218 Ų218154.2 Ų154.295%0.94878%0.783SS**  trans-107.2111.8149-75.8-174176.3-175.90109.5
762S25.3Very low25.3Very low105 Ų105149.3 Ų149.373%0.73478%0.777SS**  trans-161.7140.3160.257.10000112.4
763S25.7Very low25.3Very low96 Ų96149 Ų14967%0.67177%0.771SS**  trans61103.6159.2620000121.2
764H24.4Very low25.5Very low180 Ų180149.7 Ų149.783%0.83378%0.775SS**  61.3156.2122.1-69.1-77.3000123
765F24.1Very low25.6Very low201 Ų201150.7 Ų150.788%0.88278%0.778SS**  trans84.9130.1-175.4-71.5-93.9000114.2
766S23.8Very low25.8Very low84 Ų84146.3 Ų146.359%0.58777%0.769SS**  cis172.9179.8-11.642.40000105.6
767E27.7Very low25.9Very low176 Ų176146.1 Ų146.182%0.82277%0.768SS**  trans75.1147.7172.2-51.8-174.7151.300115.6
768N24.6Very low26Very low136 Ų136143.2 Ų143.273%0.72776%0.761SS**  cis168.5150.8-31.2-106-26.9000105.4
769I25Very low26.2Very low148 Ų148139.6 Ų139.676%0.75975%0.752SS**  trans69.5102.6160.7-60154.8000114.4
770R22.8Very low26.3Very low229 Ų229141.6 Ų141.686%0.86476%0.757SS**  80.2159.281.2-86.1-174.6174.7-174.6-1.5115.2
771T30.1Very low26.2Very low132 Ų132141.2 Ų141.281%0.8175%0.754SS**  trans71.4118.2-177.3700000113.7
772S26.5Very low26.4Very low91 Ų91139.5 Ų139.564%0.63675%0.75SS**  cis100.8131.223.885.90000115.4
773D26.5Very low26.3Very low125 Ų125142.3 Ų142.367%0.66876%0.755SS**  trans85.5152.1152-43.9-45.9000121.8
774Y26.2Very low26.4Very low203 Ų203145.8 Ų145.880%0.79677%0.765SS**  trans8194.2168.8-62-75.7000118.1
775T27.9Very low26.6Very low116 Ų116142.4 Ų142.471%0.71276%0.762SS**  70.811389.159.60000113.6
776S28.3Very low27.1Very low104 Ų104138.9 Ų138.973%0.72776%0.759SS**  101.8155.671-1670000110.8
777S28.3Very low27.4Very low105 Ų105140 Ų14073%0.73477%0.767SS**  trans67.7155176.174.20000117.7
778D28Very low27.2Very low136 Ų136141 Ų14173%0.72777%0.768SS**  cis-174161.5-44.5-105.3-37.1000107.9
779N28Very low27.2Very low136 Ų136138.8 Ų138.873%0.72776%0.763SS**  trans72.9157.2154.8-65.2-28.6000122.3
780D27.7Very low27.1Very low144 Ų144140.3 Ų140.377%0.7777%0.765SS**  trans77.5121.5162.7-58.1-38000119.1
781S24.8Very low27.1Very low101 Ų101136.2 Ų136.271%0.70676%0.756SS**  cis116.4160.824-79.10000109.4
782E28Very low26.9Very low182 Ų182137.4 Ų137.485%0.8575%0.752SS**  trans76.9104.7-178-49-168.4155.100115.1
783L23Very low26.8Very low163 Ų163140 Ų14085%0.85376%0.757SS**  56.2112.365.9-70.1168.3000115.2
784I29.4Very low26.6Very low169 Ų169143.9 Ų143.987%0.86777%0.768SS**  trans-168.6156.8134.9-98.7152.2000112.2
785S27.5Very low26.7Very low110 Ų110140.1 Ų140.177%0.76977%0.771SS**  trans-62.2170.2-162.9-46.60000119.7
786P35.9Very low26.5Very low126 Ų126144.6 Ų144.682%0.81878%0.775SS**  trans-104.9166.8-166.240.4-35.2000116
787S29.2Very low26.4Very low108 Ų108151.4 Ų151.476%0.75579%0.785SS**  trans-150.2133.1162.8670000114.6
788K24.6Very low26.2Very low197 Ų197153.4 Ų153.486%0.85778%0.782SS**  trans31.2141.6135.9-61.4176.6-175.8175.80119.1
789S23.3Very low26.1Very low89 Ų89156.6 Ų156.662%0.62279%0.792SS**  cis174.8170.53.745.20000110.4
790F23.1Very low26Very low180 Ų180154.7 Ų154.779%0.78980%0.796SS**  trans67.1155.6171.2-70.4-95.2000117.5
791Q23.9Very low25.8Very low144 Ų144159 Ų15967%0.67380%0.801SS**  cis179156.8-43.8-118.3-174.36.500107.5
792H24Very low25.8Very low157 Ų157161.2 Ų161.273%0.72781%0.81SS**  trans65.7141.6164.4-82.8-118.6000116.1
793I24.9Very low25.6Very low145 Ų145157.3 Ų157.374%0.74480%0.803SS**  cis-139.5142.83.9-96.1138.6000109.6
794K23.7Very low25.8Very low207 Ų207156.9 Ų156.990%0.980%0.801SS**PPolyproline II helixtrans-91.5128.5167.4-68.7176.2176.1177.10109.9
795S27.2Very low25.7Very low123 Ų123153.8 Ų153.886%0.8679%0.79SS**PPolyproline II helixtrans-97.3133.7159.458.70000109.9
796R24.8Very low25.7Very low211 Ų211158.8 Ų158.880%0.79680%0.799SS**PPolyproline II helixtrans-99.3132.8-159.3174.1174.8166.3169.3-6.7111.5E798R796-E798 IonicContact CZ-OE1 3.14Å; R796-E798 IonicContact NE-OE1 2.71Å; R796-E798 IonicContact NH2-OE1 2.84Å
797R25.8Very low25.1Very low246 Ų246158 Ų15893%0.92880%0.796SS**PPolyproline II helixtrans-76.7144.7163.2-79175.2166.7156.8-5.7109.8
798E23.8Very low24.9Very low147 Ų147162.2 Ų162.269%0.68780%0.8SS**  trans-128120161.1-67.7-168.3151.300109R796R796-E798 IonicContact CZ-OE1 3.14Å; R796-E798 IonicContact NE-OE1 2.71Å; R796-E798 IonicContact NH2-OE1 2.84Å
799H26.3Very low25Very low203 Ų203157.9 Ų157.994%0.9480%0.795SS**  trans-154.1137.9155.1-98.8-70.4000108
800A25Very low25Very low97 Ų97161.8 Ų161.880%0.80281%0.809SS**  trans-84.5147.8-170.600000113.1
801R24.5Very low25.2Very low235 Ų235158.2 Ų158.289%0.88781%0.807SS**  trans-149.6124.1149.2-121.1175.5179.7141.4-0.9108
802V23.9Very low25.3Very low146 Ų146160.7 Ų160.789%0.88582%0.815SS**  trans-124.2110.6171.4176.40000106.3
803S24.9Very low25.5Very low100 Ų100158.1 Ų158.170%0.69982%0.815SS**  trans-159.885.6169.755.30000106.4
804D25.4Very low26Very low154 Ų154156.5 Ų156.582%0.82481%0.814SS**  trans-157.3145.7171-124.1-24.1000113.1
805V27.7Very low26Very low105 Ų105153.2 Ų153.264%0.63681%0.811SS**  trans59.1101.8164.9-171.20000117.7
806F27.6Very low25.9Very low215 Ų215150.7 Ų150.794%0.94380%0.804SS**  -150.7100114.3-100-68.9000110.8
807S23.9Very low25.9Very low108 Ų108145.7 Ų145.776%0.75580%0.801SS**  trans-140.9118.6162.953.30000109.3
808K25.3Very low25.8Very low197 Ų197138.8 Ų138.886%0.85779%0.791SS**  trans179.3104.8163.5-101.5164.4-174.9-174.70104.9
809S25.5Very low25.9Very low106 Ų106139.7 Ų139.774%0.74180%0.8SS**  65.1103.961.482.80000112.5
810D24.5Very low26Very low172 Ų172135.8 Ų135.892%0.9279%0.792SS**  trans-139.4147.2156.9-107.9-33.2000108.7
811S27.1Very low26.1Very low105 Ų105135.9 Ų135.973%0.73479%0.787SS**  trans-128.4151.2-169.2580000110.9
812K26.4Very low26.3Very low195 Ų195131.5 Ų131.585%0.84878%0.781SS**  trans-172.5104.5156.5-110.6161-173.1176.80115
813S27.6Very low26.4Very low104 Ų104129.2 Ų129.273%0.72777%0.771SS**  69.6171.3121.785.30000118.5
814P35.5Very low26.5Very low111 Ų111133.3 Ų133.372%0.72178%0.78SS**  -139.5-160-109.130.9-4.3000114.8
815V24Very low26.7Very low138 Ų138131.1 Ų131.184%0.83678%0.776SS**  trans96.9113.4154.7-170.70000118.4
816G24.2Very low26.6Very low69 Ų69131.4 Ų131.471%0.71178%0.783SS**  trans73.6158.9146.800000118
817S25.1Very low26.6Very low107 Ų107128.6 Ų128.675%0.74878%0.778SS**  cis-173.6141.7-17.941.40000108.7
818S23.7Very low26.9Very low101 Ų101131.7 Ų131.771%0.70679%0.785SS**  trans44.5109.1152610000120.2
819L26.3Very low27.2Very low166 Ų166127.9 Ų127.987%0.86978%0.783SS**  168.6140.7110.7-90.8163.1000111.7
820P28.4Very low27.5Very low120 Ų120129.6 Ų129.678%0.77979%0.789SS**  trans-109.7139.3169.136.8-27.1000112.6
821S26.3Very low27.8Very low100 Ų100130 Ų13070%0.69979%0.785SS**  trans-158.9148.2159.5660000111.5
822D29.1Very low27.7Very low142 Ų142130.6 Ų130.676%0.75979%0.787SS**  trans62.8108.5156.3-42.2-33.4000117.5
823S26.7Very low27.8Very low98 Ų98130.5 Ų130.569%0.68579%0.79SS**  cis105.9112.741.268.20000112.6
824E26.8Very low27.9Very low187 Ų187133.3 Ų133.387%0.87480%0.797SS**  trans77.5143.5146.4-61.7-172.5164.800123.4
825S28.8Very low27.5Very low108 Ų108134.2 Ų134.276%0.75580%0.795SS**  trans93.386.1150.970.60000121.3
826S26.9Very low27.6Very low111 Ų111133.3 Ų133.378%0.77679%0.792SS**  69113122.361.80000121.8
827D26.2Very low27.8Very low156 Ų156137 Ų13783%0.83480%0.796SS**  trans-65.9147158-57.9-74.9000113.7
828L31.5Very low27.9Very low173 Ų173141 Ų14191%0.90680%0.802SS**  trans-142.692.5156.2-84.7175.7000109.5
829S30.9Very low27.9Very low116 Ų116140.7 Ų140.781%0.81181%0.806SS**  trans-93.1117.6172.6600000111
830T30.9Very low28Very low143 Ų143145 Ų14588%0.87781%0.811SS**  trans-91.3113.4178.7-48.20000111.2
831E30.9Very low27.9Very low179 Ų179148.7 Ų148.784%0.83681%0.809SS**  trans-107.5132.5171-164.1167-145.700109.5
832P26.5Very low28Very low118 Ų118153 Ų15377%0.76682%0.816SS**  trans-83.2136.9-16731.4-34.5000113.4
833Q27.9Very low28Very low194 Ų194153 Ų15391%0.90782%0.821SS**  trans-61.7136.7175.7-62.6171.1-36.400112
834N28.5Very low28Very low163 Ų163157.1 Ų157.187%0.87283%0.827SS**  trans-120.2131153.8-100.4-36.7000108.4P836N834-P836 WeakPolarHBondContact O-CD 3.31Å
835N27.8Very low28.1Very low130 Ų130154 Ų15470%0.69582%0.823SS**  trans-90.5123-164.8-1786.2000112D837N835-D837 PolarHBondContact OD1-N 2.78Å; N835-D837 VanDerWaalsContact OD1-N 3.17Å
836P27.5Very low28Very low118 Ų118153.9 Ų153.977%0.76682%0.822SS**  trans-114.649.9173.839.7-26.1000113N834 E838N834-P836 WeakPolarHBondContact O-CD 3.31Å; P836-E838 VanDerWaalsContact C-N 3.34Å; P836-E838 PolarHBondContact O-N 2.72Å
837D27.7Very low28.1Very low147 Ų147153.6 Ų153.679%0.78682%0.817SS**  trans-84.964.6170.2-91.1-28.8000112.7N835N835-D837 PolarHBondContact OD1-N 2.78Å; N835-D837 VanDerWaalsContact OD1-N 3.17Å
838E26.6Very low28.3Very low190 Ų190153.1 Ų153.189%0.88882%0.815SS**SBendtrans-153142.9156.4-128.3175.1176.500113P836P836-E838 VanDerWaalsContact C-N 3.34Å; P836-E838 PolarHBondContact O-N 2.72Å
839A23.8Very low28.1Very low96 Ų96154.2 Ų154.279%0.79382%0.815SS**  trans70.356.7173.700000119.4
840R29.1Very low28Very low255 Ų255156.8 Ų156.896%0.96282%0.819SS**  trans-125.682.8136-80.4-166.2176.5-172.41.3112.1
841R25.6Very low27.7Very low198 Ų198155.1 Ų155.175%0.74781%0.814SS**  trans-109.7155.1152.8-83.2-175.3175.3177.22.3108.6H535H535-R841 PolarHBondContact NE2-NH1 2.78Å
842F28.2Very low27.4Very low190 Ų190154.9 Ų154.983%0.83381%0.812SS**  trans78.259.8-170.3-56.3-71.6000116.7
843T29.7Very low27.4Very low143 Ų143156.4 Ų156.488%0.87781%0.812SS**PPolyproline II helixtrans-92132.5134.836.90000108.9
844K26.1Very low27.2Very low185 Ų185151.3 Ų151.380%0.80480%0.798SS**PPolyproline II helixtrans-91.2153.4157.8-95.4-167.5175.6-172.60108.5
845P28.8Very low27.1Very low120 Ų120149.7 Ų149.778%0.77979%0.79SS**PPolyproline II helixtrans-83.1154.4-154.732.3-37000114.4
846S26.9Very low26.9Very low107 Ų107152.5 Ų152.575%0.74880%0.796SS**PPolyproline II helixtrans-72.3143.7159.147.30000110.8
847P28.3Very low26.9Very low104 Ų104156.6 Ų156.668%0.67580%0.802SS**PPolyproline II helixtrans-79.4168.5165.735.8-34.7000111.6
848D31.5Very low26.8Very low147 Ų147155.6 Ų155.679%0.78680%0.801SS**  trans79.359.8158.8-49.1-28.6000119.3
849E26Very low26.8Very low195 Ų195154.6 Ų154.691%0.91180%0.802SS**  trans-101.399.2133.5-82.3-170.8153.200109.1
850L29.6Very low27Very low171 Ų171155.4 Ų155.490%0.89580%0.802SS**  trans-140.484.7161.4-81.8-177.3000109.7
851S24.3Very low27.6Very low108 Ų108148.6 Ų148.676%0.75579%0.791SS**  trans-95.5129.7153.654.60000109.1
852E24.7Very low27.6Very low174 Ų174147.2 Ų147.281%0.81380%0.798SS**  trans132147.5151.2-71.3-171.7173.700115.4
853I26.2Very low27.6Very low149 Ų149150 Ų15076%0.76480%0.803SS**  trans81.785.1167.1-57.3149.7000117.1
854S23.9Very low27.4Very low88 Ų88146.4 Ų146.462%0.61580%0.795SS**  89.5144.411987.90000123.7
855D26.5Very low27.3Very low128 Ų128148.9 Ų148.968%0.68480%0.799SS**  trans93.2114.6142.3-61.9-34.8000122.9
856F24.7Very low27.2Very low189 Ų189149.8 Ų149.883%0.82980%0.797SS**  trans55.795.9155.7-59.7-70.2000120.1
857K27.2Very low27.2Very low204 Ų204149.4 Ų149.489%0.88779%0.794SS**  -168.8134.390.9-104.4172.4-178.3176.60114.1
858T25.9Very low27.1Very low126 Ų126151.2 Ų151.277%0.77380%0.797SS**  trans-79.3128.2168.648.20000110.9
859D25.7Very low26.9Very low169 Ų169150.4 Ų150.490%0.90479%0.792SS**  trans-144126143-98-39.9000107.9
860S27.3Very low26.8Very low114 Ų114148.3 Ų148.380%0.79778%0.782SS**  trans-139.8156.9-170.9-81.80000110.7
861P42.1Very low26.6Very low112 Ų112145.7 Ų145.773%0.72777%0.773SS**  trans-93.6158.5-147.435.8-37.5000114.3
862N25.4Very low26.5Very low168 Ų168146.3 Ų146.390%0.89878%0.778SS**  trans-172.9114144.9-105.9-43.2000115.4
863R28.8Very low26.3Very low249 Ų249146.8 Ų146.894%0.9478%0.78SS**  trans-178.6129.8154.5-107.6-177.9179.4-170.90.5107.3
864G24.9Very low26.3Very low68 Ų68149 Ų14970%0.70178%0.784SS**  cis124.7116.9-7.500000113.4
865R25Very low26.3Very low237 Ų237152.8 Ų152.889%0.89479%0.793SS**  trans71.4147165.2-93.4-176.6170.6163.2-1.8116.7
866L26.5Very low26.1Very low139 Ų139150.6 Ų150.673%0.72879%0.787SS**  cis-155.815112.8-105.3169.4000111.9
867S26Very low26.1Very low98 Ų98147.5 Ų147.569%0.68578%0.784SS**  trans61148.7141.672.30000121.2
868L27.5Very low25.9Very low142 Ų142145.2 Ų145.274%0.74378%0.776SS**  cis-166.2157.21.7-147.574.5000111.2
869L26Very low25.8Very low130 Ų130145 Ų14568%0.68177%0.771SS**  trans60151150.1-102.155.4000120.3
870E25Very low25.7Very low151 Ų151146.6 Ų146.671%0.70676%0.764SS**  cis-159.7133.3-29.6-120.1175.3179.400111.2
871T24.8Very low25.5Very low116 Ų116148 Ų14871%0.71276%0.762SS**  trans26.5139.5139.254.30000125.4
872S22.3Very low24.6Very low122 Ų122146.4 Ų146.485%0.85375%0.754SS**  108.6157.9129.676.90000119.7
873Q20.3Very low24.6Very low184 Ų184145.2 Ų145.286%0.8675%0.747SS**  trans-109.5140.8-157.8-61.1169.9-3200112.3
874F26.7Very low24.6Very low195 Ų195139.7 Ų139.786%0.85574%0.737SS**  trans-164.1125.1155.3-106-78.8000104.1
875E22.9Very low24.5Very low168 Ų168140.9 Ų140.979%0.78573%0.734SS**  47.8137.360.5-72.9-160.9178.700114
876S23.4Very low24.7Very low82 Ų82137.8 Ų137.857%0.57374%0.735SS**  cis-172.9175.8-12.6520000107.8
877T24.2Very low24.5Very low123 Ų123136.1 Ų136.176%0.75573%0.734SS**  trans67.7164.516474.30000118.8
878Q23.5Very low24.4Very low157 Ų157136.7 Ų136.773%0.73474%0.738SS**  cis-165.6153.8-39.9-100.2-167.95.400107.5
879N23.4Very low24.6Very low122 Ų122135 Ų13565%0.65274%0.736SS**  trans72.3141.7141.5-94-42.4000123.4
880R24.2Very low24.5Very low202 Ų202136.6 Ų136.676%0.76274%0.743SS**  trans91.6124.3138.4-79.7166.6-175.2-169.50.4121.2
881N23.1Very low24.3Very low143 Ų143133.9 Ų133.977%0.76574%0.741SS**  trans72.9150.5137.9-625.9000117
882S23.2Very low24.2Very low79 Ų79132.9 Ų132.955%0.55274%0.739SS**  cis-177.7158-16.8500000108.1
883N26Very low24.3Very low142 Ų142136 Ų13676%0.75974%0.74SS**  trans70.9153.6171.7-32.8-31.7000113.1
884D28.5Very low24.6Very low133 Ų133132.1 Ų132.171%0.71173%0.731SS**  cis-140.4137.94-101.6-51.9000107.8
885S23.2Very low24.4Very low93 Ų93132 Ų13265%0.6573%0.733SS**  71.1131.283.3-51.60000114.8
886L27.9Very low24.3Very low173 Ų173130.3 Ų130.391%0.90674%0.738SS**  trans95.6130.9-178.9-59161.3000114.7
887S22.9Very low24.4Very low103 Ų103131.2 Ų131.272%0.7275%0.751SS**  cis177.2132.6-16.241.40000105.8
888S23.3Very low24.4Very low110 Ų110133.1 Ų133.177%0.76976%0.756SS**  trans-63.4-178.4170.959.20000113.3
889P32.1Very low24.3Very low107 Ų107132.9 Ų132.970%0.69576%0.759SS**  cis-136.1-148.71.335.9-12.4000113
890I22.7Very low24.3Very low163 Ų163132.7 Ų132.784%0.83677%0.768SS**  trans96.5131.3168.9-56.3163.8000113.9
891S21.5Very low24.2Very low94 Ų94132.3 Ų132.366%0.65777%0.774SS**  cis-170.4155-20.7-178.20000108.8
892S23Very low24.1Very low96 Ų96133.4 Ų133.467%0.67178%0.775SS**  trans33.5140.2146.360.70000121.8
893Q24Very low24.2Very low187 Ų187136.2 Ų136.287%0.87478%0.784SS**  cis-170168.9-10.3-113-118.3-49.400107
894P26.6Very low24Very low102 Ų102138.1 Ų138.166%0.66279%0.788SS**PPolyproline II helixtrans-102.2166.8-150.939.2-37.2000116.5
895E23.2Very low23.7Very low192 Ų192139.1 Ų139.190%0.89779%0.793SS**PPolyproline II helixtrans-72.5158.3160.7-67.3-170.4132.800112.3
896C21Very low23.8Very low133 Ų133141.2 Ų141.290%0.89980%0.802SS**PPolyproline II helixtrans-84.5128.5-177.3-59.40000112.4
897A25.7Very low23.5Very low101 Ų101141.3 Ų141.384%0.83580%0.798SS**  trans-178.980.8142.200000110.6
898L23Very low23.5Very low164 Ų164144.2 Ų144.286%0.85981%0.805SS**  trans-102131.7161.5-79.2170000108.6
899D22.1Very low23.4Very low152 Ų152145.2 Ų145.281%0.81381%0.806SS**  177.6131.4119.7-90.7-14.2000110.4
900S24.1Very low23Very low118 Ų118146.4 Ų146.483%0.82581%0.812SS**  trans128.979.7158.8-57.10000113.9
901E21.7Very low23Very low194 Ų194143.4 Ų143.491%0.90781%0.811SS**  -142.1115.5127-79.7-145.8159.800110.3
902E21.3Very low23.2Very low165 Ų165142.7 Ų142.777%0.77182%0.819SS**  trans23137.3139.9-62.3-160.9175.300124.1
903N23.8Very low23.1Very low138 Ų138148.1 Ų148.174%0.73883%0.83SS**  trans70.5107.6142.7-56.8-26.5000120.3
904E22.7Very low23.1Very low183 Ų183146.9 Ų146.986%0.85583%0.828SS**  trans-131.4126.1142.9-94.7-69146.100108.4
905D21.5Very low22.8Very low154 Ų154150.4 Ų150.482%0.82484%0.836SS**  trans-75.5143.8174.5-88.1-54.1000110.1
906T26.2Very low22.8Very low136 Ų136150.9 Ų150.983%0.83483%0.834SS**  trans-141.1116.5159.2-35.40000111.8
907Q20.2Very low23Very low175 Ų175150.3 Ų150.382%0.81883%0.829SS**  trans-70.7138.1178.9-55.6170.323.600110.4
908L23.2Very low22.8Very low165 Ų165154.4 Ų154.486%0.86483%0.831SS**  trans-148.3108.6158.3-113.2166000111.3
909T22.3Very low22.7Very low130 Ų130151.5 Ų151.580%0.79883%0.825SS**  trans-103.4112.6-175.3-24.80000109.9
910V23.2Very low22.7Very low133 Ų133149.4 Ų149.481%0.80682%0.822SS**  trans-137.8134.2163.5-178.60000110.1
911A22.2Very low22.6Very low99 Ų99149.1 Ų149.182%0.81882%0.815SS**  trans-85.7151.8-172.500000113.7
912G26.3Very low22.6Very low80 Ų80144.8 Ų144.883%0.82581%0.813SS**  trans-149.186.2171.600000112.2
913K20.4Very low22.8Very low209 Ų209145.2 Ų145.291%0.90981%0.812SS**  trans-78.7116.8170-73.6175.9175.1174.80110
914I23.6Very low22.7Very low162 Ų162144 Ų14483%0.83180%0.802SS**  trans-136143.1154.4-63.6-172.6000109.4
915Q22.1Very low22.7Very low176 Ų176145.9 Ų145.982%0.82280%0.801SS**PPolyproline II helixtrans-74.9152.5-164.4-67.2122.3-43.700115.5
916K21.8Very low23Very low201 Ų201143.3 Ų143.387%0.87480%0.795SS**PPolyproline II helixtrans-65.1130.8149.9-85.9177.6169.9176.50109.8
917P25.2Very low23.1Very low122 Ų122143.1 Ų143.179%0.79280%0.797SS**PPolyproline II helixtrans-82.3157148.532-26.5000110.6
918E21.2Very low23.3Very low187 Ų187139.5 Ų139.587%0.87479%0.786SS**  trans-96.6-156.8-172.3-54.1178.2132.600112.1
919S21.9Very low23.3Very low103 Ų103137.2 Ų137.272%0.7278%0.784SS**  trans72.3111.5-178.274.20000114.5
920S22.5Very low23.4Very low107 Ų107139.8 Ų139.875%0.74878%0.784SS**  62113.155.985.60000113.2
921T22.4Very low23.5Very low112 Ų112138.4 Ų138.469%0.68778%0.778SS**  -169.1124.1108.8-58.60000108.3F923T921-F923 HydrophobicContact CG2-CD2 3.51Å; T921-F923 HydrophobicContact CG2-CE2 3.76Å
922A20.3Very low23.6Very low104 Ų104140.1 Ų140.186%0.8678%0.778SS**  trans-81.5124.3165.400000108.9
923F24.9Very low23.4Very low174 Ų174141.4 Ų141.476%0.76377%0.773SS**  trans-124.6114.1167.7-106.5-75.7000110T921 R925T921-F923 HydrophobicContact CG2-CD2 3.51Å; T921-F923 HydrophobicContact CG2-CE2 3.76Å; F923-R925 PolarHBondContact O-N 3.32Å
924Q22.2Very low23.7Very low113 Ų113136.7 Ų136.753%0.52876%0.764SS.*  trans-58.4132.3162.1-67.5165.9-24.400108.6Q1010Q924-Q1010 VanDerWaalsContact NE2-CD 3.25Å
925R24Very low23.8Very low221 Ų221135.6 Ų135.683%0.83477%0.765SS**  trans-133.6112.6158.3-77.5-170.1174.1171-0.2109.7F923F923-R925 PolarHBondContact O-N 3.32Å
926S26.5Very low23.9Very low100 Ų100135.5 Ų135.570%0.69976%0.764SS**  trans-58.1159.6160.938.40000110.9V928S926-V928 PolarHBondContact O-N 3.27Å; S926-V928 VanDerWaalsContact O-N 3.11Å
927P28.8Very low23.9Very low132 Ų132134 Ų13486%0.85776%0.76SS**  trans-63116.2-172.224-34.4000111.9S929P927-S929 PolarHBondContact O-N 2.87Å
928V24.6Very low23.9Very low100 Ų100133.7 Ų133.761%0.60676%0.756SS**  trans-75.5108.6174.51740000109S926 K930S926-V928 PolarHBondContact O-N 3.27Å; S926-V928 VanDerWaalsContact O-N 3.11Å; V928-K930 HydrophobicContact CG1-CB 4.47Å; V928-K930 HydrophobicContact CG1-CD 4.47Å; V928-K930 HydrophobicContact CG1-CG 3.88Å; V928-K930 PolarHBondContact O-N 2.68Å
929S23.5Very low24.1Very low117 Ų117132.1 Ų132.182%0.81875%0.748SS**  trans-60.1111.7151.6420000108.3P927P927-S929 PolarHBondContact O-N 2.87Å
930K23.3Very low24.2Very low183 Ų183138.2 Ų138.280%0.79676%0.756SS**  trans-101.5144164.5-104.4177-178.5-173.50109.4V928V928-K930 HydrophobicContact CG1-CB 4.47Å; V928-K930 HydrophobicContact CG1-CD 4.47Å; V928-K930 HydrophobicContact CG1-CG 3.88Å; V928-K930 PolarHBondContact O-N 2.68Å
931P25.6Very low24.2Very low105 Ų105144.2 Ų144.268%0.68276%0.762SS**  trans-88157.5-146.733.5-37.4000113.6C933P931-C933 PolarHBondContact O-N 3.1Å; P931-C933 VanDerWaalsContact O-N 3.13Å
932V24.3Very low24.3Very low134 Ų134149.6 Ų149.681%0.81277%0.77SS**  trans-55.7111.5154.1175.20000108.1
933C22.3Very low24.6Very low107 Ų107148.3 Ų148.372%0.72377%0.767SS**  trans-72.1122.5158-74.20000107.3P931 V935P931-C933 PolarHBondContact O-N 3.1Å; P931-C933 VanDerWaalsContact O-N 3.13Å; C933-V935 PolarHBondContact O-N 3.16Å
934P26.4Very low24.6Very low110 Ų110151.3 Ų151.371%0.71477%0.773SS**  trans-68.9124.8-179.928-33.1000109.5Q936P934-Q936 PolarHBondContact O-N 3.42Å; P934-Q936 VanDerWaalsContact O-N 3.09Å
935V26.4Very low24.9Very low140 Ų140151.7 Ų151.785%0.84879%0.785SS**  trans-65.8109.9168.6174.60000107.2C933 E937C933-V935 PolarHBondContact O-N 3.16Å; V935-E937 PolarHBondContact O-N 3.22Å
936Q23.8Very low25.1Very low173 Ų173152.6 Ų152.681%0.80879%0.789SS**  trans-63.5120.7172.9-77.7-178.1-48.200109.5P934 V938P934-Q936 PolarHBondContact O-N 3.42Å; P934-Q936 VanDerWaalsContact O-N 3.09Å; Q936-V938 PolarHBondContact O-N 3.31Å
937E22.8Very low25Very low169 Ų169157.4 Ų157.479%0.7980%0.797SS**  trans-7191.1-176.8-169.6178.7164.100110.7V935 Q939V935-E937 PolarHBondContact O-N 3.22Å; E937-Q939 VanDerWaalsContact C-N 3.35Å; E937-Q939 PolarHBondContact O-N 3.42Å
938V25.2Very low25.1Very low116 Ų116160.6 Ų160.670%0.70380%0.797SS**  trans-71.793172.9179.70000108.9Q936 R940Q936-V938 PolarHBondContact O-N 3.31Å; V938-R940 VanDerWaalsContact C-N 3.33Å; V938-R940 PolarHBondContact O-N 3.05Å
939Q24.7Very low25.2Very low154 Ų154163.2 Ų163.272%0.7281%0.808SS**  trans-57.485.5173.8-67.4-175.2-28.200112E937 R941E937-Q939 VanDerWaalsContact C-N 3.35Å; E937-Q939 PolarHBondContact O-N 3.42Å; Q939-R941 PolarHBondContact O-N 3.18Å
940R23Very low25.3Very low231 Ų231166.3 Ų166.387%0.87281%0.81SS**  trans-73.892.1169.2-85.4-166.1163.3106-1.2110.2V938 R942V938-R940 VanDerWaalsContact C-N 3.33Å; V938-R940 PolarHBondContact O-N 3.05Å; R940-R942 PolarHBondContact O-N 3.16Å
941R24.2Very low25.5Very low233 Ų233166 Ų16688%0.87982%0.816SS**  trans-44.4124.5175.4-66.6175.4170.5178.1-4.6111.8Q939 G943Q939-R941 PolarHBondContact O-N 3.18Å; R941-G943 PolarHBondContact O-N 2.63Å; R941-G943 VanDerWaalsContact O-N 3.14Å
942R23.6Very low25.6Very low226 Ų226166.3 Ų166.385%0.85382%0.82SS**  trans-60.8110.9172.5-70.1-179.2173.9-175.6-4110R940 R944R940-R942 PolarHBondContact O-N 3.16Å; R942-R944 PolarHBondContact O-N 3.37Å
943G26.3Very low25.9Very low77 Ų77164.7 Ų164.779%0.79481%0.812SS**  trans-77110.8177.300000111.8R941R941-G943 PolarHBondContact O-N 2.63Å; R941-G943 VanDerWaalsContact O-N 3.14Å
944R26.3Very low25.9Very low236 Ų236168.6 Ų168.689%0.89182%0.817SS**  trans-76.6132.1-178.7-162178-170.4-178.33.7111.1R942R942-R944 PolarHBondContact O-N 3.37Å
945P28.5Very low26Very low122 Ų122174.4 Ų174.479%0.79283%0.826SS**  trans-71.2135.5-176.127.4-34.2000112.5
946R27.3Very low25.9Very low239 Ų239173.1 Ų173.190%0.90282%0.824SS**  trans-83.2112.7178.6-89178.6165.9162.9-3.5111.5
947K23.7Very low25.8Very low201 Ų201169 Ų16987%0.87481%0.814SS**  trans-71.5129.4153.4-74.1-178174.5-179.40109.2
948K32.3Very low25.9Very low199 Ų199167.8 Ų167.887%0.86581%0.813SS**  trans-142148.5155.2-85.3-160172.8-171.80109.9
949N26.9Very low26Very low155 Ų155172.7 Ų172.783%0.82983%0.825SS**  trans-84.7158.9-159.8-74-16000115
950Q24.1Very low26.1Very low183 Ų183170.7 Ų170.786%0.85583%0.828SS**  trans-16.5133.4150.7-53.2171.814.200116
951L28.9Very low26.6Very low177 Ų177165.1 Ų165.193%0.92782%0.822SS**  trans-146.8152.6140.3-101.5169.5000108.3
952S26Very low26.7Very low110 Ų110162.3 Ų162.377%0.76982%0.819SS**  trans-112.5-160.5-159.462.40000112.2
953P31.8Very low26.7Very low100 Ų100159.4 Ų159.465%0.64981%0.812SS**  -125.4-179-113.735.5-15000115.5
954K22.6Very low26.5Very low190 Ų190162.3 Ų162.383%0.82681%0.805SS**  trans75.9108.7164.7-51172.1-178.3177.40117.5
955Y27Very low26.2Very low231 Ų231155.9 Ų155.991%0.90679%0.793SS**  trans-154.4107.1131.9-103.8-83.8000105.4
956S24.3Very low26.1Very low114 Ų114159.5 Ų159.580%0.79780%0.796SS**  78.2150.388.9-154.70000113.8
957S23.4Very low25.8Very low87 Ų87151.1 Ų151.161%0.60878%0.784SS**  trans-109.4163.8-151.259.70000114.6
958N24.3Very low25.9Very low142 Ų142150.7 Ų150.776%0.75978%0.782SS**  trans61106.6151.6-57.9-34.7000118.6
959F27.4Very low25.5Very low219 Ų219148.7 Ų148.796%0.96178%0.776SS**  trans-123.3149.8140.4-103.7-91.1000110.9
960S26.3Very low25.3Very low112 Ų112149.8 Ų149.878%0.78378%0.782SS**  trans-112.9170.4-171.8-111.90000111.3
961P34.2Very low25.3Very low115 Ų115145.1 Ų145.175%0.74777%0.77SS**  trans-97.5155-154.337.3-36.7000115.5
962Q25.8Very low25Very low173 Ų173144 Ų14481%0.80876%0.764SS**  trans-140134.5159.3-78.2-161.1-14.800106.5
963K22.5Very low24.9Very low165 Ų165144.4 Ų144.472%0.71776%0.761SS**  51.9133.692.5-69.6175.6154.7-119.80111.8
964E22.5Very low24.6Very low138 Ų138144.4 Ų144.465%0.64576%0.763SS**  cis-162.3148.910.7-111.6151.2-164.200109.2
965T21.4Very low24.6Very low102 Ų102141.6 Ų141.663%0.62676%0.762SS**  trans46.1150.4132.6-28.60000122.9
966F24.8Very low24.5Very low198 Ų198138.8 Ų138.887%0.86876%0.758SS**  trans72.4130.7176.7-53.5-84.8000114.7
967G21.7Very low24.4Very low62 Ų62138.2 Ų138.264%0.63975%0.754SS**  cis108.293.80.800000112.7
968F25.9Very low24.6Very low193 Ų193139.2 Ų139.285%0.84676%0.761SS**  trans-170.1100.3161.3-110.7-81.2000105.6
969E23Very low24.9Very low156 Ų156137.3 Ų137.373%0.72976%0.759SS**  59.894.5103.3-67.3-149.1146.400115.4S971E969-S971 PolarHBondContact O-N 2.69Å
970D23.5Very low24.8Very low179 Ų179135.3 Ų135.396%0.95775%0.752SS**  trans-62.2114.7155.7-67.5-51.6000108.7
971S24.7Very low24.8Very low85 Ų85137 Ų13759%0.59475%0.753SS**  trans-142.1133.3-178.751.90000112.4E969E969-S971 PolarHBondContact O-N 2.69Å
972L22.8Very low24.6Very low154 Ų154138.4 Ų138.481%0.80675%0.753SS**  trans52.9116.9167.6-74.588.5000118.1
973V23.6Very low24.5Very low118 Ų118137.1 Ų137.172%0.71575%0.749SS**  72.999.268.2175.30000112.6
974S24.2Very low24.8Very low99 Ų99137.8 Ų137.869%0.69275%0.753SS**  trans69.5165.5145.9-57.90000119.4
975T24.3Very low25Very low131 Ų131140.7 Ų140.780%0.80476%0.763SS**  trans75.4138.8176.879.10000112.7
976E23.6Very low25.5Very low173 Ų173140.5 Ų140.581%0.80876%0.762SS**  cis-143.6162.413.9-66.8177.4134.900113.2
977S23.6Very low25.6Very low102 Ų102137.2 Ų137.271%0.71375%0.753SS**  trans36.3132.8142.1660000123
978S27.4Very low25.8Very low108 Ų108140.3 Ų140.376%0.75576%0.755SS**  -178142.4110.831.10000113
979S30.8Very low25.8Very low102 Ų102138.1 Ų138.171%0.71375%0.752SS**  trans53.7107.7163.953.30000117.2
980E24.8Very low26.1Very low177 Ų177135.6 Ų135.683%0.82775%0.752SS**  49.5137.957.9-52.2-178.1152.600112.4
981D26.4Very low26.1Very low148 Ų148131.4 Ų131.479%0.79174%0.736SS**  cis-178.4-168.9-24.1-113.1-49000103.2
982D30Very low26.1Very low143 Ų143137.7 Ų137.777%0.76575%0.747SS**  trans86.990.2-176.4-62.5-20.9000114.1
983M24Very low26.1Very low146 Ų146136.2 Ų136.272%0.71974%0.74SS**  cis57.2101.643-165.9178.664.900112.9
984F28.3Very low26.2Very low180 Ų180139.9 Ų139.979%0.78975%0.747SS**  -157.5138.8123.8-111.6-74.4000110.8T986F984-T986 HydrophobicContact CD1-CG2 4.39Å
985K26.6Very low26.1Very low199 Ų199139.4 Ų139.487%0.86574%0.744SS**  trans-146.7106.6-173.9178.2-168.1-176.8-174.10107.6
986T30.8Very low26.1Very low97 Ų97138.9 Ų138.960%0.59574%0.74SS**  trans-149.9125177.748.10000110.7F984F984-T986 HydrophobicContact CD1-CG2 4.39Å
987N27.2Very low26.1Very low130 Ų130135.3 Ų135.370%0.69573%0.734SS**  70.2150.2126.4-65.546.6000118.6
988D26.3Very low26.1Very low126 Ų126137.1 Ų137.167%0.67474%0.735SS**  cis-154.6131.9-10.6-91.3-23.9000105.2
989D25.4Very low26Very low148 Ų148139.2 Ų139.279%0.79174%0.738SS**  87.4162.188.5-145.4-0.3000114.7
990S30.7Very low25.5Very low102 Ų102141.9 Ų141.971%0.71374%0.742SS**  trans79.6126.3-172.677.70000117.4
991S23.1Very low25.9Very low91 Ų91138.5 Ų138.564%0.63674%0.736SS**  cis115.11432.2770000114.3
992R24.4Very low25.7Very low217 Ų217136.3 Ų136.382%0.81973%0.732SS**  trans80.4152.5166.7-53.6-168.1175.9117.50.5117.4
993D22.8Very low25.2Very low123 Ų123138.9 Ų138.966%0.65874%0.736SS**  cis-168.1-178.7-25-94.8-30000107.4
994F25.2Very low25.3Very low195 Ų195138.9 Ų138.986%0.85575%0.745SS**  trans73.9117.8174.6-68.5-94.5000116.6
995S22.9Very low25.1Very low90 Ų90137.6 Ų137.663%0.62975%0.746SS**  cis102.6120.514.389.40000117
996T24.8Very low24.9Very low119 Ų119136.3 Ų136.373%0.7374%0.743SS**  trans86.5137.8142.2-26.20000120.4
997C23.2Very low24.6Very low99 Ų99138.1 Ų138.167%0.66975%0.753SS**  trans56.7149.9151.554.10000120.6
998D22.7Very low24.6Very low140 Ų140137 Ų13775%0.74975%0.747SS**  cis-167177.9-16-101.3-35.2000108.9
999N25.3Very low24.6Very low152 Ų152139.7 Ų139.781%0.81376%0.756SS**  trans84.192.3156.6-57.7-49000121.6
1000I21.4Very low24.6Very low157 Ų157138.8 Ų138.881%0.80575%0.747SS**  -24.8153.9124-69.1163.2000113.8
1001P31.7Very low24.5Very low106 Ų106138.6 Ų138.669%0.68875%0.745SS**  cis-142.1160.322.222.24.5000120.7
1002S22.8Very low24.6Very low102 Ų102141.9 Ų141.971%0.71376%0.755SS**  trans77.9140.8133.274.80000124.5
1003K20.1Very low24.7Very low197 Ų197136.8 Ų136.886%0.85775%0.749SS**  trans62.1114.3154.7-70.4174.5178.4176.70118.8
1004V25.8Very low24.8Very low147 Ų147137.7 Ų137.789%0.89175%0.754SS**  -159.6157.2105149.20000108.5
1005N23.3Very low24.6Very low153 Ų153140.9 Ų140.982%0.81876%0.76SS**  trans-77.1158.1-164.7-78.6-31.5000116.6
1006Q23.3Very low24.8Very low172 Ų172141.1 Ų141.180%0.80476%0.762SS**  trans-27.3136.4161.3-57.3168.84.700116.5
1007V24.6Very low24.9Very low134 Ų134142.8 Ų142.881%0.81277%0.765SS**  trans-125.2111.3137.4177.60000106.6
1008N26.9Very low24.9Very low106 Ų106146.9 Ų146.957%0.56778%0.779SS**  trans-116.8109.5-175.1-166.312.8000108.4
1009H26.5Very low24.8Very low184 Ų184151.5 Ų151.585%0.85279%0.786SS**  trans-98.1100.6172.8-88.8-66.4000109.5
1010Q25.5Very low24.7Very low129 Ų129148.6 Ų148.660%0.60378%0.783SS**  trans-118134.4171.4-158170.8-4.800111Q924Q924-Q1010 VanDerWaalsContact NE2-CD 3.25Å
1011S27.7Very low24.9Very low97 Ų97146.8 Ų146.868%0.67878%0.784SS**  trans6.1120.217053.90000119.7
1012N25.4Very low24.4Very low160 Ų160149.1 Ų149.186%0.85679%0.79SS**  trans-86104168.2-169.29000110.4
1013T27.7Very low24.3Very low110 Ų110152.6 Ų152.668%0.67580%0.795SS**  trans-137.7142.6160.143.40000109.9
1014D24.8Very low24.5Very low143 Ų143152.8 Ų152.877%0.76580%0.796SS**  trans76.794.8167.5-55-20.6000118.5S1016D1014-S1016 PolarHBondContact O-N 3.29Å; D1014-S1016 VanDerWaalsContact O-N 3.15Å
1015W21.4Very low24.3Very low261 Ų261153.8 Ų153.899%0.98979%0.791SS**  trans-56.9106.6156.5-71.583.9000111.2
1016S26.8Very low24.3Very low96 Ų96152 Ų15267%0.67179%0.788SS**  trans-14899.1152.840.30000113.8D1014D1014-S1016 PolarHBondContact O-N 3.29Å; D1014-S1016 VanDerWaalsContact O-N 3.15Å
1017I25.1Very low24.3Very low153 Ų153147.5 Ų147.579%0.78578%0.776SS**  trans70.2108.5144.4-50.3165.6000117.3
1018L23.7Very low24.2Very low185 Ų185148.3 Ų148.397%0.96978%0.775SS**  trans-128.4129.9133.1-80.6-179.9000110.2
1019R21.8Very low24.2Very low238 Ų238153.1 Ų153.190%0.89879%0.792SS**  trans-137.595.8171.5-173.6-164.4-160.3-168.88.1108.4
1020A23.4Very low24.2Very low91 Ų91150.2 Ų150.275%0.75279%0.787SS**  trans-159.3118.5161.700000105.6
1021S24.1Very low24Very low118 Ų118148.5 Ų148.583%0.82580%0.795SS**  69.789.264-60.20000112.6
1022L22.4Very low23.8Very low156 Ų156151.6 Ų151.682%0.81780%0.802SS**  trans-161.5109.1153.6-92.2166.1000102.8
1023E20.9Very low23.7Very low174 Ų174149 Ų14981%0.81379%0.794SS**  62.790.754.6-163.1165.3-133.400112.4
1024F22.8Very low23.7Very low202 Ų202151.1 Ų151.189%0.88680%0.8SS**  trans-151.9119.1155-119.3-85.8000109
1025Q21.9Very low23.6Very low167 Ų167149.3 Ų149.378%0.7880%0.795SS**  trans-87.2157.1156.3-58.7-1666.400108.2
1026P23.6Very low23.6Very low115 Ų115147.2 Ų147.275%0.74779%0.788SS**  -144.4129.891.529.3-9.8000115.5
1027S22.5Very low23.4Very low79 Ų79149.1 Ų149.155%0.55279%0.791SS**  trans20.4125.7132.658.30000121.5
1028D22.8Very low23.2Very low150 Ų150147.4 Ų147.480%0.80279%0.792SS**  67.2110.6124.4-51.7-24.7000121.7
1029F28.4Very low23.3Very low208 Ų208147.1 Ų147.191%0.91279%0.786SS**  trans-122.298.5141.9-108.3-85.3000111.1
1030T25.5Very low23.6Very low123 Ų123141 Ų14176%0.75578%0.777SS**  trans16.2131.7148.255.90000120.9
1031A21.2Very low23.6Very low92 Ų92142.2 Ų142.276%0.7678%0.78SS**  trans-68.7162.8169.400000115
1032I24.2Very low23.7Very low162 Ų162140.7 Ų140.783%0.83178%0.783SS**  trans-157.2134.4136.2-93.4144.7000108.4
1033P23.1Very low23.8Very low105 Ų105136.7 Ų136.768%0.68278%0.779SS**  trans-105.2145.1174.637.1-30.5000113.5
1034L27.7Very low24Very low155 Ų155133.2 Ų133.281%0.81277%0.774SS**  trans-141.2108.6159.4-68.1173.1000106.6
1035T21.4Very low24.1Very low106 Ų106134.3 Ų134.365%0.6577%0.773SS**  43.197.570.267.50000114.1
1036Y21.5Very low24.2Very low217 Ų217136.9 Ų136.985%0.85178%0.775SS**  -172.5153.7101.8-122.6-100.7000114.2
1037N22.5Very low24.2Very low136 Ų136140.6 Ų140.673%0.72778%0.779SS**  trans-61.9152.8167.8-60.2-58.6000111.4
1038S22.8Very low24.7Very low116 Ų116145.5 Ų145.581%0.81179%0.794SS**  168.6146.996.646.70000114.4
1039Q25.7Very low24.8Very low179 Ų179145.8 Ų145.884%0.83680%0.795SS**  trans-59.7169154.6-75.5-167.8-29.200110.4
1040P27.9Very low24.8Very low110 Ų110144.1 Ų144.171%0.71480%0.795SS**  cis-157.6178.137.540.9-16.6000120.6
1041S23.4Very low24.7Very low117 Ų117141.8 Ų141.882%0.81880%0.795SS**  trans54.3119.7138.565.50000122.6
1042G25.6Very low25Very low85 Ų85140.9 Ų140.988%0.87680%0.795SS**  trans167125.1147.700000111.3
1043G25.7Very low25.1Very low72 Ų72141.1 Ų141.174%0.74280%0.797SS**  cis166.1161.2-7.300000110.6
1044S24.5Very low25.2Very low102 Ų102141.6 Ų141.671%0.71380%0.802SS**  trans55.2116.3167.6-89.70000117.6
1045R24.7Very low25Very low225 Ų225145.5 Ų145.585%0.84981%0.805SS**  146.1155.473-99.4163.8-169.3-163.8-0.9104.1
1046R24.3Very low25.3Very low220 Ų220147.7 Ų147.783%0.8381%0.813SS**  cis-153.7144.610.7-160.4174.3-174.6156.2-1.6108
1047K24Very low25.4Very low193 Ų193143.7 Ų143.784%0.83981%0.807SS**  trans-67147.5168.6-66.7169.8172.5176.10110.8
1048Q31.5Very low25.6Very low183 Ų183145.9 Ų145.986%0.85582%0.815SS**  trans-161.9121133.7-110.3160.91.600111.4
1049N24.7Very low25.5Very low155 Ų155144.6 Ų144.683%0.82981%0.811SS**  trans-97158.9167.5-65.9-38.3000108.8
1050L28.5Very low25.5Very low174 Ų174144.1 Ų144.191%0.91181%0.813SS**  trans-177.7135.1149.2-97.6153.7000107.3
1051G23.4Very low25.2Very low74 Ų74143.2 Ų143.276%0.76381%0.81SS**  cis121.495.9-3.700000113
1052G27.8Very low25.1Very low73 Ų73144 Ų14475%0.75381%0.81SS**  trans151.3138.5176.500000110.2
1053L27.1Very low25.2Very low166 Ų166146.3 Ų146.387%0.86981%0.807SS**  cis-145.5155.317.1-86.6158.5000112.9
1054C25.7Very low25.2Very low116 Ų116149.1 Ų149.178%0.78481%0.805SS**  trans56.6105.3149.6-60.90000121.8
1055R22.5Very low25.2Very low236 Ų236152.3 Ų152.389%0.89181%0.808SS**  trans-74.6151.7142.9-77.6174163173.3-7.1110.7
1056N27.1Very low25.2Very low153 Ų153148.3 Ų148.382%0.81880%0.804SS**  trans-172.1155.5147.2-89-25.1000106.7
1057N24.7Very low25.2Very low133 Ų133143.5 Ų143.571%0.71179%0.794SS**  cis175.3142.2-42-119.4-2.1000104.9
1058M25.1Very low25.2Very low181 Ų181142 Ų14289%0.89279%0.788SS**  trans65.8137.5172.5-60.3176.8165.700117.1
1059A22.3Very low24.8Very low89 Ų89142.3 Ų142.374%0.73678%0.783SS**  cis92.6101.720.200000116.3
1060L25.3Very low24.9Very low169 Ų169140.7 Ų140.789%0.88578%0.779SS**  trans-169.8100.2163.7-132.464.9000106.2
1061S21.3Very low24.5Very low91 Ų91136.8 Ų136.864%0.63677%0.765SS**  71.7100.480.1790000116.9
1062T21.8Very low24.5Very low134 Ų134142.9 Ų142.982%0.82277%0.771SS**  trans38.6122131.256.40000121.5
1063V27.1Very low24.8Very low134 Ų134143.9 Ų143.981%0.81277%0.765SS**  trans-152.7131.2142.81660000110.4
1064D26Very low24.7Very low131 Ų131142.8 Ų142.870%0.70176%0.76SS**  trans29.1125151.3-53-23.7000121.8
1065Q23.8Very low24.9Very low169 Ų169143.4 Ų143.479%0.7976%0.76SS**  62.8116.466.9-65.8-167.834.600115.8
1066N25.9Very low25Very low141 Ų141138.7 Ų138.775%0.75475%0.752SS**  -175.4139.3126.4-101.6-51.1000115.6
1067N24.3Very low25Very low118 Ų118138.2 Ų138.263%0.63175%0.748SS**  trans36.3125.9150-67.2-33.7000121.9
1068K22.3Very low25.2Very low162 Ų162137 Ų13770%0.70475%0.748SS**  cis93152.948.7-86-171.3173.7174.40114.2
1069Y23.6Very low25.1Very low190 Ų190137.4 Ų137.475%0.74575%0.747SS**  trans79.1135.7173.1-55.5-80.7000114.4
1070T26.7Very low25.3Very low121 Ų121142.9 Ų142.974%0.74276%0.755SS**  cis-156.6157.97.6-1.60000113.5
1071S21.2Very low25Very low91 Ų91143.5 Ų143.564%0.63676%0.755SS**  trans-16.1140.7159.946.40000120.1
1072F23.6Very low25.2Very low202 Ų202144.1 Ų144.189%0.88676%0.76SS**  64.6150.362.8-79.9-60.6000114.7
1073P34Very low25.2Very low95 Ų95145.5 Ų145.562%0.61776%0.761SS**  cis-145.5-173.8-18.443.7-24.8000117
1074D24.7Very low25Very low142 Ų142146.7 Ų146.776%0.75976%0.761SS**  trans75157.2142.5-63-26.5000126.6
1075T29.7Very low24.9Very low129 Ų129145.6 Ų145.679%0.79176%0.764SS**  trans84.2148.9165.168.70000120.3
1076D25.5Very low24.9Very low137 Ų137144.1 Ų144.173%0.73376%0.762SS**  cis-167151.1-45.4-125.1-27.7000111.6
1077I25.4Very low24.8Very low143 Ų143145.8 Ų145.873%0.73376%0.764SS**  trans60.1135.9151.8-62.3162.6000122
1078P29.3Very low24.7Very low107 Ų107151.8 Ų151.870%0.69578%0.778SS**  trans-104167.217140.3-35.1000115
1079Q22.4Very low24.6Very low190 Ų190154.7 Ų154.789%0.88879%0.786SS**  trans154.8128.7141-88173.325.600115.5
1080K26.5Very low24.9Very low204 Ų204151.5 Ų151.589%0.88779%0.789SS**  trans158128140.6-92.5173.6174.9176.40109.5
1081M20.6Very low24.6Very low183 Ų183152.7 Ų152.790%0.90179%0.79SS**  90.1146.451.8-112.6-170.4-17700116.3
1082S25Very low24.6Very low104 Ų104157.9 Ų157.973%0.72780%0.797SS**  trans68.7100.3166.755.10000121.4
1083L21.1Very low24.7Very low163 Ų163156.4 Ų156.485%0.85379%0.792SS**  32.8130115.1-61164.7000119.7
1084I23.9Very low24.2Very low158 Ų158157.8 Ų157.881%0.8181%0.805SS**  173.4131.9115.3-90.1159000113.6
1085S24.3Very low24.5Very low108 Ų108157.1 Ų157.176%0.75581%0.808SS**  trans48.1135.2155.171.50000124.9
1086D22.7Very low24.3Very low139 Ų139154.7 Ų154.774%0.74381%0.808SS**  trans-65.1172.8163.6-63.7-77.8000116.7
1087H24.2Very low24.3Very low176 Ų176158.1 Ų158.182%0.81582%0.817SS**  trans75.1108.8160.5-56.5-63.3000119.3
1088R21.8Very low24.6Very low244 Ų244156.8 Ų156.892%0.92182%0.818SS**  -172.6150.2106.9-97.7163.4-161.9-162.95.4112.9
1089Y20.5Very low24.5Very low222 Ų222156.8 Ų156.887%0.87183%0.827SS**PPolyproline II helixtrans-69.6147.6172.9-90.1-105.4000112.1
1090P30.3Very low24.5Very low124 Ų124152.9 Ų152.981%0.80582%0.82SS**PPolyproline II helixtrans-73.3126.6161.1-10.327.1000110.9
1091L20.8Very low24.5Very low146 Ų146149.7 Ų149.776%0.76482%0.818SS**PPolyproline II helixtrans-98.5169.7164-86160.8000109.8
1092Y21.4Very low24.6Very low200 Ų200147.9 Ų147.978%0.78481%0.812SS**  trans74122.8175.6-57-88.8000114.8
1093H25Very low24.6Very low170 Ų170146.6 Ų146.679%0.78780%0.803SS**  cis-150.6139.535.1-84.9-85.5000113.2
1094S23.8Very low24.7Very low125 Ų125149.5 Ų149.587%0.87480%0.802SS**  trans-115.9127159.1-64.50000109.8
1095P30.7Very low25Very low127 Ų127149 Ų14983%0.82580%0.802SS**  trans-102.3128.9168.733.7-26.6000112.7
1096G25Very low25.1Very low78 Ų78154.3 Ų154.380%0.80481%0.805SS**  trans64.587138.700000121.3
1097F24.8Very low25.3Very low209 Ų209154.2 Ų154.292%0.91781%0.805SS**  trans-81.8-179.5134.7-86.4-84.3000109.3
1098P32.7Very low25.5Very low116 Ų116151.9 Ų151.975%0.75380%0.798SS**  cis-128.9178.2-28.730.5-11.5000112.6
1099A26.4Very low25.8Very low107 Ų107147.2 Ų147.288%0.88479%0.791SS**  trans-133.7128.5155.900000110.5
1100S22.4Very low26Very low107 Ų107145.2 Ų145.275%0.74879%0.787SS**  trans-102145.4-178.750.60000111.7
1101V28Very low25.6Very low137 Ų137146.4 Ų146.483%0.8379%0.785SS**  trans-157.697.4146.8172.30000104.9
1102N22.4Very low25.8Very low146 Ų146144.5 Ų144.578%0.78178%0.784SS**  76.5117.687.5-96-12.4000116
1103S23.6Very low25.9Very low77 Ų77141.6 Ų141.654%0.53878%0.778SS.*  76.2113.8122.4-177.30000120.2
1104R24.3Very low25.8Very low223 Ų223139.6 Ų139.684%0.84277%0.767SS**  trans63134.4135.7-59.5174.8-174.8148.2-2.5116.4
1105D30.1Very low26Very low148 Ų148144.9 Ų144.979%0.79177%0.769SS**  -151.8154.154.2-94.8-48.6000113.4
1106R26Very low25.8Very low220 Ų220145.1 Ų145.183%0.8376%0.763SS**  trans-72.5147.1149.5-82.4175.5161.6179.3-5.5106.8
1107D27.9Very low26.1Very low137 Ų137150.9 Ų150.973%0.73377%0.766SS**  172.9161.2123.2-90.1-13.4000114.2
1108N27.2Very low26Very low126 Ų126145.2 Ų145.267%0.67475%0.752SS**  trans81.4123.8145.6-72.8-29.1000123.5
1109L29.1Very low26Very low147 Ų147146.1 Ų146.177%0.7775%0.751SS**  58.895127.8-56.4169.1000116.5
1110K24Very low26.3Very low180 Ų180147.5 Ų147.578%0.78374%0.743SS**  cis70.7102.843.4-136.8-165.6-173.2-1730114.5
1111L22.6Very low26.6Very low148 Ų148149.9 Ų149.978%0.77575%0.747SS**  trans74.7161.7145.7-70.9164.9000121
1112S23.4Very low26.8Very low106 Ų106151.1 Ų151.174%0.74175%0.749SS**  trans82.6140.7172.280.10000116.2
1113E23.5Very low27Very low140 Ų140148 Ų14865%0.65475%0.751SS**  cis-167.7163.9-7.7-118.5-179.6161.300112.3
1114K23.1Very low27.3Very low128 Ų128153.5 Ų153.556%0.55777%0.768SS**  trans52.9103.7144.8-65.3162.4-178151.20120.7L1116K1114-L1116 HydrophobicContact CG-CD1 4.19Å
1115Y29.7Very low27.6Very low235 Ų235148 Ų14892%0.92276%0.764SS**  -147.8104.3112.8-90.3-82.5000104.7
1116L26.5Very low27.5Very low133 Ų133147.3 Ų147.370%0.69677%0.765SS**  cis64.269.846.8-130.3151.5000112.2K1114K1114-L1116 HydrophobicContact CG-CD1 4.19Å
1117K30.5Very low27.5Very low199 Ų199143.4 Ų143.487%0.86576%0.761SS**  trans-141.699.9142.6-118.5179.6178.6-174.20110
1118S22.5Very low27.6Very low90 Ų90143 Ų14363%0.62977%0.769SS**  trans-55153.4147.6-41.90000109
1119D32.1Very low27.6Very low135 Ų135141 Ų14172%0.72277%0.77SS**  -179.2146.7115.4-78.7-23.6000109
1120D33.4Very low27.7Very low136 Ų136138.5 Ų138.573%0.72776%0.764SS**  trans54.6101.2165.6-49.3-32.5000118.3
1121L28.3Very low28.2Very low156 Ų156138.2 Ų138.282%0.81777%0.768SS**  60.584.974.3-63.3175.2000113.8
1122D33.2Very low28.7Very low164 Ų164138.8 Ų138.888%0.87777%0.767SS**  -151.5107.7128.6-98.6-33.4000109.6E1124D1122-E1124 PolarHBondContact O-N 3.25Å
1123G26.3Very low29.3Very low81 Ų81137 Ų13784%0.83575%0.754SS**  trans-90.174.7-173.700000112.5S1125G1123-S1125 VanDerWaalsContact C-N 3.33Å; G1123-S1125 PolarHBondContact O-N 3.25Å
1124E30.2Very low30.3Very low192 Ų192135.3 Ų135.390%0.89775%0.753SS**  trans-75.888.6168.8-71.5-154.4145.100111.6D1122 T1126D1122-E1124 PolarHBondContact O-N 3.25Å; E1124-T1126 PolarHBondContact O-N 2.85Å
1125S29.1Very low31.1Very low107 Ų107132.3 Ų132.375%0.74874%0.743SS**  trans12.3101.1153.1-159.80000117.6G1123 D1127G1123-S1125 VanDerWaalsContact C-N 3.33Å; G1123-S1125 PolarHBondContact O-N 3.25Å; S1125-D1127 PolarHBondContact O-N 3.48Å; S1125-D1127 VanDerWaalsContact O-N 3.13Å
1126T27.9Very low32.4Very low133 Ų133125.5 Ų125.582%0.81672%0.722SS**  trans-63108.8155.552.80000110.3E1124E1124-T1126 PolarHBondContact O-N 2.85Å
1127D26.9Very low33.2Very low139 Ų139122.9 Ų122.974%0.74371%0.711SS**  trans-163.990.4149.5-110.8-18.1000112.8S1125S1125-D1127 PolarHBondContact O-N 3.48Å; S1125-D1127 VanDerWaalsContact O-N 3.13Å
1128S30.7Very low34.6Very low129 Ų129119 Ų11990%0.90270%0.696SS**  trans-152.955.4155.7-79.30000108.1S1130S1128-S1130 PolarHBondContact O-N 3.42Å
1129A26.3Very low37Very low84 Ų84118.4 Ų118.469%0.69469%0.689SS**  trans-59.9119.5176.500000109.7M1131A1129-M1131 PolarHBondContact O-N 2.96Å; A1129-M1131 VanDerWaalsContact O-N 3.08Å
1130S32Very low38.5Very low93 Ų93114.2 Ų114.265%0.6567%0.668SS**  trans-48.3115.9162.146.20000109S1128 E1132S1128-S1130 PolarHBondContact O-N 3.42Å; S1130-E1132 PolarHBondContact O-N 3.48Å
1131M33.1Very low40.6Very low175 Ų175114 Ų11486%0.86266%0.662SS**  trans-7770.6-177.7-166.1156.262.100109.9A1129 S1133A1129-M1131 PolarHBondContact O-N 2.96Å; A1129-M1131 VanDerWaalsContact O-N 3.08Å; M1131-S1133 PolarHBondContact O-N 3.39Å; M1131-S1133 VanDerWaalsContact O-N 3.13Å
1132E34.3Very low41.9Very low159 Ų159109.6 Ų109.674%0.74364%0.644SS**  trans-60.7112176.8-69.9-172.2142.200109.7S1130 V1134S1130-E1132 PolarHBondContact O-N 3.48Å; E1132-V1134 PolarHBondContact O-N 2.83Å
1133S36.7Very low43.9Very low69 Ų69108.8 Ų108.848%0.48363%0.633SS.*  trans-70.996.4166.360.40000108.4M1131 D1135M1131-S1133 PolarHBondContact O-N 3.39Å; M1131-S1133 VanDerWaalsContact O-N 3.13Å; S1133-D1135 PolarHBondContact O-N 3.13Å; S1133-D1135 VanDerWaalsContact O-N 3.07Å
1134V43.5Very low45.6Very low104 Ų104108.6 Ų108.663%0.6361%0.608SS**  trans-66107.2171.5179.90000108.3E1132 I1136E1132-V1134 PolarHBondContact O-N 2.83Å; V1134-I1136 PolarHBondContact O-N 3.48Å
1135D39.5Very low47Very low66 Ų66106.3 Ų106.335%0.35360%0.599SS.*EExtended strand (participates in β ladder)trans-72.7108.4174.2-70.3-11.9000109S1133 V1137 K1173S1133-D1135 PolarHBondContact O-N 3.13Å; S1133-D1135 VanDerWaalsContact O-N 3.07Å; D1135-V1137 PolarHBondContact O-N 3.45Å; D1135-K1173 WeakPolarHBondContact OD1-CD 3.48Å; D1135-K1173 WeakPolarHBondContact OD1-CE 3.49Å; D1135-K1173 VanDerWaalsContact OD1-CG 3.24Å; D1135-K1173 WeakPolarHBondContact OD1-CG 3.49Å; D1135-K1173 IonicContact OD1-NZ 2.83Å; D1135-K1173 PolarHBondContact OD1-NZ 2.76Å; D1135-K1173 IonicContact OD2-NZ 3.71Å; D1135-K1173 PolarHBondContact OD2-NZ 3.49Å
1136I56.8Low48.1Very low91 Ų91103.7 Ų103.747%0.46757%0.572SS.*EExtended strand (participates in β ladder)trans-79.2118.5176.7-56.4177.8000107.9V1134 E1138 T1171 R1172V1134-I1136 PolarHBondContact O-N 3.48Å; I1136-E1138 HydrophobicContact CG2-CG 3.96Å; I1136-T1171 WeakPolarHBondContact O-CA 3.49Å; I1136-R1172 PolarHBondContact N-O 3.23Å; I1136-R1172 PolarHBondContact O-N 2.97Å
1137V43.9Very low49.3Very low79 Ų79100.6 Ų100.648%0.47956%0.555SS.*EExtended strand (participates in β ladder)trans-94.7102.1175.4-173.30000108.4D1135 R1169 S1170 T1171D1135-V1137 PolarHBondContact O-N 3.45Å; V1137-R1169 HydrophobicContact CG1-CB 4.15Å; V1137-R1169 HydrophobicContact CG1-CG 4.48Å; V1137-S1170 CarbonylContact C-O 3.6Å; V1137-S1170 WeakPolarHBondContact CA-O 3.47Å; V1137-T1171 HydrophobicContact CB-CG2 4.4Å; V1137-T1171 HydrophobicContact CG1-CG2 4.18Å; V1137-T1171 HydrophobicContact CG2-CG2 3.95Å
1138E60.4Low50.2Low118 Ų118102.2 Ų102.255%0.55156%0.558SS**EExtended strand (participates in β ladder)trans-94.2130.6176.4-67.2-177.3166.600109.7I1136 S1170I1136-E1138 HydrophobicContact CG2-CG 3.96Å; E1138-S1170 PolarHBondContact N-O 2.79Å; E1138-S1170 PolarHBondContact O-N 3.19Å
1139T73.1Confident51Low76 Ų76100 Ų10047%0.46654%0.542SS..EExtended strand (participates in β ladder)trans-90.2110.4171.7-52.50000107.7H1167 R1169T1139-H1167 HydrophobicContact CG2-CB 3.97Å; T1139-R1169 HydrophobicContact CG2-CG 4.44Å
1140V63.6Low51.8Low47 Ų4799 Ų9929%0.28553%0.525SS..EExtended strand (participates in β ladder)trans-93.3123.1-178.6-176.60000108.7H1167 Y1168V1140-H1167 WeakPolarHBondContact O-CA 3.27Å; V1140-Y1168 HydrophobicContact CB-CD2 4.34Å; V1140-Y1168 HydrophobicContact CB-CE1 4.19Å; V1140-Y1168 HydrophobicContact CB-CE2 3.89Å; V1140-Y1168 HydrophobicContact CG1-CE1 4.09Å; V1140-Y1168 HydrophobicContact CG1-CE2 4.28Å; V1140-Y1168 HydrophobicContact CG2-CE2 4.32Å; V1140-Y1168 PolarHBondContact N-O 2.95Å; V1140-Y1168 PolarHBondContact O-N 3.04Å
1141E76.8Confident52.7Low131 Ų13199.7 Ų99.761%0.61252%0.521SS*.EExtended strand (participates in β ladder)trans-94.2123.5175.9-40.2-162.3148.600108.8V1165 H1167E1141-V1165 HydrophobicContact CB-CG1 3.85Å; E1141-H1167 VanDerWaalsContact CD-ND1 3.33Å; E1141-H1167 WeakPolarHBondContact CG-ND1 3.31Å; E1141-H1167 IonicContact OE1-CE1 3.39Å; E1141-H1167 PolarHBondContact OE1-CE1 2.89Å; E1141-H1167 IonicContact OE1-ND1 3.28Å; E1141-H1167 PolarHBondContact OE1-ND1 2.88Å; E1141-H1167 IonicContact OE2-CE1 3.02Å
1142C56.3Low53.6Low65 Ų6597.1 Ų97.144%0.43952%0.515SS..EExtended strand (participates in β ladder)trans-139.3136.2-179.7-163.20000111.1Y1144 I1166 Y1168C1142-Y1144 PolarHBondContact O-N 2.9Å; C1142-I1166 PolarHBondContact N-O 2.73Å; C1142-I1166 PolarHBondContact O-N 2.96Å; C1142-Y1168 HydrophobicContact CB-CE1 3.87Å
1143K74.4Confident53.7Low146 Ų14695.9 Ų95.964%0.63551%0.509SS*.EExtended strand (participates in β ladder)trans-73119.4174-73.3-174.5176.8-175.20109.7S1164 V1165K1143-S1164 CarbonylContact C-O 3.59Å; K1143-S1164 WeakPolarHBondContact CA-O 3.42Å; K1143-V1165 HydrophobicContact CG-CG2 3.87Å
1144Y62.4Low53.8Low78 Ų78101.3 Ų101.331%0.30653%0.527SS..  trans-70.5133.1178.3-169.7-112.9000110.7C1142 W1146 V1159 G1163 S1164 I1166C1142-Y1144 PolarHBondContact O-N 2.9Å; Y1144-W1146 AromaticContact CE1-CD1 3.75Å; Y1144-W1146 HydrophobicContact CE1-CD2 4.19Å; Y1144-W1146 HydrophobicContact CE1-CG 4.16Å; Y1144-W1146 AromaticContact CE1-NE1 3.72Å; Y1144-V1159 HydrophobicContact CE1-CG1 3.8Å; Y1144-G1163 PolarHBondContact O-N 3.23Å; Y1144-S1164 PolarHBondContact N-O 2.86Å; Y1144-I1166 HydrophobicContact CD1-CD1 4.28Å; Y1144-I1166 HydrophobicContact CD2-CD1 3.53Å; Y1144-I1166 HydrophobicContact CE2-CD1 4.25Å; Y1144-I1166 HydrophobicContact CG-CD1 3.53Å; Y1144-I1166 HydrophobicContact CG-CG1 4.43Å
1145M58.9Low53.6Low144 Ų14499.9 Ų99.971%0.70952%0.515SS*.  trans-129.1130.3174.2-70.2-167.267.700109.3
1146W53.7Low53.4Low51 Ų51107.1 Ų107.119%0.19354%0.539CS..  trans-79.4138.5178.4-84.193.7000111.7Y1144 L1150 V1159 P1160 I1162Y1144-W1146 AromaticContact CE1-CD1 3.75Å; Y1144-W1146 HydrophobicContact CE1-CD2 4.19Å; Y1144-W1146 HydrophobicContact CE1-CG 4.16Å; Y1144-W1146 AromaticContact CE1-NE1 3.72Å; W1146-L1150 HydrophobicContact CE3-CB 3.79Å; W1146-L1150 HydrophobicContact CE3-CD1 4.19Å; W1146-L1150 HydrophobicContact CZ3-CB 3.58Å; W1146-L1150 HydrophobicContact CZ3-CD1 3.95Å; W1146-L1150 HydrophobicContact CZ3-CG 4.42Å; W1146-V1159 HydrophobicContact CH2-CB 3.92Å; W1146-V1159 HydrophobicContact CH2-CG1 3.89Å; W1146-V1159 HydrophobicContact CH2-CG2 3.85Å; W1146-V1159 HydrophobicContact CZ2-CB 3.4Å; W1146-V1159 HydrophobicContact CZ2-CG1 3.35Å; W1146-V1159 HydrophobicContact CZ2-CG2 3.87Å; W1146-P1160 PolarHBondContact NE1-O 3.34Å; W1146-P1160 VanDerWaalsContact NE1-O 3.11Å; W1146-I1162 HydrophobicContact CB-CD1 4.23Å; W1146-I1162 HydrophobicContact CB-CG1 3.98Å; W1146-I1162 VanDerWaalsContact CD1-CG1 3.46Å; W1146-I1162 HydrophobicContact CG-CG1 4.05Å
1147P53.1Low52.3Low69 Ų69110.6 Ų110.645%0.44855%0.552SS.*  trans-67.1131.7161.6-16.731.2000110.7S1149 L1150P1147-S1149 PolarHBondContact O-N 2.82Å; P1147-S1149 VanDerWaalsContact O-N 3.09Å; P1147-L1150 PolarHBondContact O-N 3.41Å
1148E45.2Very low52.3Low172 Ų172119.2 Ų119.280%0.80458%0.576SS**G310 helixtrans-58-27.2-175.9-71.3179.2136.500114L1150 L1151E1148-L1150 PolarHBondContact O-N 3.13Å; E1148-L1151 PolarHBondContact O-N 3.29Å
1149S47.4Very low51.7Low83 Ų83116.1 Ų116.158%0.5857%0.565SS**G310 helixtrans-63.2-24.7177.259.60000113.9P1147 T1152P1147-S1149 PolarHBondContact O-N 2.82Å; P1147-S1149 VanDerWaalsContact O-N 3.09Å; S1149-T1152 PolarHBondContact O-OG1 2.93Å
1150L43.2Very low50.9Low64 Ų64115.5 Ų115.534%0.33556%0.562SS.*G310 helixtrans-92.3-4.5-179.4-63.6176.4000113.6W1146 P1147 E1148 T1152 N1155W1146-L1150 HydrophobicContact CE3-CB 3.79Å; W1146-L1150 HydrophobicContact CE3-CD1 4.19Å; W1146-L1150 HydrophobicContact CZ3-CB 3.58Å; W1146-L1150 HydrophobicContact CZ3-CD1 3.95Å; W1146-L1150 HydrophobicContact CZ3-CG 4.42Å; P1147-L1150 PolarHBondContact O-N 3.41Å; E1148-L1150 PolarHBondContact O-N 3.13Å; L1150-T1152 VanDerWaalsContact C-N 3.31Å; L1150-N1155 PolarHBondContact O-ND2 2.82Å
1151L50.2Low50.6Low106 Ų106121.1 Ų121.156%0.55559%0.585SS**SBendtrans-81.1-10.7173.7-69.8171.5000113.2E1148 I1162E1148-L1151 PolarHBondContact O-N 3.29Å; L1151-I1162 HydrophobicContact CD1-CD1 4.31Å
1152T51.7Low49.6Very low121 Ų121119.6 Ų119.674%0.74258%0.58SS**SBendtrans-99.5-12.8178.235.50000113.9S1149 L1150S1149-T1152 PolarHBondContact O-OG1 2.93Å; L1150-T1152 VanDerWaalsContact C-N 3.31Å
1153E36.6Very low50.3Low134 Ų134118.1 Ų118.163%0.62658%0.576SS**SBendtrans-106.7134.2-180-66-174.2172.800111.3N1155E1153-N1155 VanDerWaalsContact C-N 3.29Å; E1153-N1155 PolarHBondContact O-N 3.05Å; E1153-N1155 PolarHBondContact O-ND2 3.16Å
1154H39.7Very low50.1Low182 Ų182113 Ų11384%0.84356%0.558SS**  trans-68.879.7-178-72.5-72.8000112Y1156H1154-Y1156 WeakPolarHBondContact O-CD2 3.46Å; H1154-Y1156 PolarHBondContact O-N 3.49Å
1155N38.7Very low50.7Low74 Ų74112.3 Ų112.340%0.39656%0.562SS.*  trans-69.4121179.5-84.5-67.3000111.7L1150 E1153 F1157L1150-N1155 PolarHBondContact O-ND2 2.82Å; E1153-N1155 VanDerWaalsContact C-N 3.29Å; E1153-N1155 PolarHBondContact O-N 3.05Å; E1153-N1155 PolarHBondContact O-ND2 3.16Å; N1155-F1157 PolarHBondContact O-N 3.02Å
1156Y36.3Very low50.8Low218 Ų218108.3 Ų108.386%0.85554%0.543SS*.SBendtrans-72.912.4-175.3-81-92.3000115.2H1154H1154-Y1156 WeakPolarHBondContact O-CD2 3.46Å; H1154-Y1156 PolarHBondContact O-N 3.49Å
1157F31.8Very low51.9Low165 Ų165110.8 Ų110.872%0.72456%0.557SS**SBendtrans-121.4138.2-177.3-60.1-78.2000110.2N1155 V1159N1155-F1157 PolarHBondContact O-N 3.02Å; F1157-V1159 HydrophobicContact CB-CG2 4.14Å; F1157-V1159 PolarHBondContact O-N 2.88Å; F1157-V1159 VanDerWaalsContact O-N 3.11Å
1158R44.6Very low52.1Low260 Ų260113.3 Ų113.398%0.98156%0.558SS**  trans-73.2100.5166.9-81.9-170.6174.7-159.7-0.8108.4
1159V47.5Very low53.1Low53 Ų53114.7 Ų114.732%0.32156%0.556SS.*PPolyproline II helixtrans-99.4147179.2-178.20000109.6Y1144 W1146 F1157Y1144-V1159 HydrophobicContact CE1-CG1 3.8Å; W1146-V1159 HydrophobicContact CH2-CB 3.92Å; W1146-V1159 HydrophobicContact CH2-CG1 3.89Å; W1146-V1159 HydrophobicContact CH2-CG2 3.85Å; W1146-V1159 HydrophobicContact CZ2-CB 3.4Å; W1146-V1159 HydrophobicContact CZ2-CG1 3.35Å; W1146-V1159 HydrophobicContact CZ2-CG2 3.87Å; F1157-V1159 HydrophobicContact CB-CG2 4.14Å; F1157-V1159 PolarHBondContact O-N 2.88Å; F1157-V1159 VanDerWaalsContact O-N 3.11Å
1160P57Low53.5Low62 Ų62113.4 Ų113.440%0.40355%0.547SS..PPolyproline II helixtrans-56.6149.5177.9-27.436.4000114.8W1146 S1164 I1166W1146-P1160 PolarHBondContact NE1-O 3.34Å; W1146-P1160 VanDerWaalsContact NE1-O 3.11Å; P1160-S1164 WeakPolarHBondContact CB-OG 3.3Å; P1160-I1166 HydrophobicContact CB-CD1 4.39Å; P1160-I1166 HydrophobicContact CG-CD1 4.16Å
1161E57Low54.2Low165 Ų165114.8 Ų114.877%0.77156%0.558SS**PPolyproline II helixtrans-66.4151.9-179.6-65.1-178.3171.500112.5G1163 S1164E1161-G1163 PolarHBondContact O-N 3.22Å; E1161-S1164 VanDerWaalsContact O-CB 3.27Å; E1161-S1164 WeakPolarHBondContact O-CB 3.31Å; E1161-S1164 PolarHBondContact O-N 3.44Å; E1161-S1164 PolarHBondContact O-OG 2.9Å
1162I55.8Low54.5Low99 Ų99118.4 Ų118.451%0.50856%0.564SS.*THydrogen-bonded Turntrans-58.9123.9176.9-60.5168.4000109.6W1146 L1151W1146-I1162 HydrophobicContact CB-CD1 4.23Å; W1146-I1162 HydrophobicContact CB-CG1 3.98Å; W1146-I1162 VanDerWaalsContact CD1-CG1 3.46Å; W1146-I1162 HydrophobicContact CG-CG1 4.05Å; L1151-I1162 HydrophobicContact CD1-CD1 4.31Å
1163G70.3Confident53.9Low35 Ų35119 Ų11936%0.36156%0.557SS.*THydrogen-bonded Turntrans92.4-5.9-17900000115Y1144 E1161Y1144-G1163 PolarHBondContact O-N 3.23Å; E1161-G1163 PolarHBondContact O-N 3.22Å
1164S71.1Confident54.4Low37 Ų37116.8 Ų116.826%0.25955%0.552SS.*PPolyproline II helixtrans-60138.8169.859.60000110.9K1143 Y1144 P1160 E1161 I1166K1143-S1164 CarbonylContact C-O 3.59Å; K1143-S1164 WeakPolarHBondContact CA-O 3.42Å; Y1144-S1164 PolarHBondContact N-O 2.86Å; P1160-S1164 WeakPolarHBondContact CB-OG 3.3Å; E1161-S1164 VanDerWaalsContact O-CB 3.27Å; E1161-S1164 WeakPolarHBondContact O-CB 3.31Å; E1161-S1164 PolarHBondContact O-N 3.44Å; E1161-S1164 PolarHBondContact O-OG 2.9Å; S1164-I1166 PolarHBondContact O-N 3.01Å
1165V75.9Confident54.1Low65 Ų65112.3 Ų112.339%0.39455%0.547SS..EExtended strand (participates in β ladder)trans-83.8116.2178.6-178.80000108.3E1141 K1143E1141-V1165 HydrophobicContact CB-CG1 3.85Å; K1143-V1165 HydrophobicContact CG-CG2 3.87Å
1166I60.4Low53.8Low59 Ų59117.5 Ų117.530%0.30357%0.566SS.*EExtended strand (participates in β ladder)trans-99.1130.5172.6-58.6-177.4000108.1C1142 Y1144 P1160 S1164C1142-I1166 PolarHBondContact N-O 2.73Å; C1142-I1166 PolarHBondContact O-N 2.96Å; Y1144-I1166 HydrophobicContact CD1-CD1 4.28Å; Y1144-I1166 HydrophobicContact CD2-CD1 3.53Å; Y1144-I1166 HydrophobicContact CE2-CD1 4.25Å; Y1144-I1166 HydrophobicContact CG-CD1 3.53Å; Y1144-I1166 HydrophobicContact CG-CG1 4.43Å; P1160-I1166 HydrophobicContact CB-CD1 4.39Å; P1160-I1166 HydrophobicContact CG-CD1 4.16Å; S1164-I1166 PolarHBondContact O-N 3.01Å
1167H76.2Confident53.6Low104 Ų104115.4 Ų115.448%0.48156%0.563SS.*EExtended strand (participates in β ladder)trans-101.2112177.5-55.1-105.9000108.2T1139 V1140 E1141T1139-H1167 HydrophobicContact CG2-CB 3.97Å; V1140-H1167 WeakPolarHBondContact O-CA 3.27Å; E1141-H1167 VanDerWaalsContact CD-ND1 3.33Å; E1141-H1167 WeakPolarHBondContact CG-ND1 3.31Å; E1141-H1167 IonicContact OE1-CE1 3.39Å; E1141-H1167 PolarHBondContact OE1-CE1 2.89Å; E1141-H1167 IonicContact OE1-ND1 3.28Å; E1141-H1167 PolarHBondContact OE1-ND1 2.88Å; E1141-H1167 IonicContact OE2-CE1 3.02Å
1168Y57.8Low53.5Low121 Ų121114 Ų11448%0.47556%0.563SS.*EExtended strand (participates in β ladder)trans-116.1143.9175.263.5-89.2000110.8V1140 C1142V1140-Y1168 HydrophobicContact CB-CD2 4.34Å; V1140-Y1168 HydrophobicContact CB-CE1 4.19Å; V1140-Y1168 HydrophobicContact CB-CE2 3.89Å; V1140-Y1168 HydrophobicContact CG1-CE1 4.09Å; V1140-Y1168 HydrophobicContact CG1-CE2 4.28Å; V1140-Y1168 HydrophobicContact CG2-CE2 4.32Å; V1140-Y1168 PolarHBondContact N-O 2.95Å; V1140-Y1168 PolarHBondContact O-N 3.04Å; C1142-Y1168 HydrophobicContact CB-CE1 3.87Å
1169R65.7Low52.8Low202 Ų202109.1 Ų109.176%0.76256%0.556SS**EExtended strand (participates in β ladder)trans-89.5119.5-180-66.3-176.6179.7-170.60.5109.7V1137 T1139V1137-R1169 HydrophobicContact CG1-CB 4.15Å; V1137-R1169 HydrophobicContact CG1-CG 4.48Å; T1139-R1169 HydrophobicContact CG2-CG 4.44Å
1170S56.1Low51.8Low56 Ų56116.2 Ų116.239%0.39258%0.582SS.*EExtended strand (participates in β ladder)trans-102.2149.1170.1-170.70000109.3V1137 E1138V1137-S1170 CarbonylContact C-O 3.6Å; V1137-S1170 WeakPolarHBondContact CA-O 3.47Å; E1138-S1170 PolarHBondContact N-O 2.79Å; E1138-S1170 PolarHBondContact O-N 3.19Å
1171T57.4Low50.7Low92 Ų92118.5 Ų118.556%0.56460%0.599SS**EExtended strand (participates in β ladder)trans-123.7135.2175.965.10000109.7I1136 V1137I1136-T1171 WeakPolarHBondContact O-CA 3.49Å; V1137-T1171 HydrophobicContact CB-CG2 4.4Å; V1137-T1171 HydrophobicContact CG1-CG2 4.18Å; V1137-T1171 HydrophobicContact CG2-CG2 3.95Å
1172R56Low49.4Very low182 Ų182119.8 Ų119.869%0.68760%0.602SS**EExtended strand (participates in β ladder)trans-132.8123.4176.7-164.4177.7-169.6-179.23.9111.3I1136 V1174I1136-R1172 PolarHBondContact N-O 3.23Å; I1136-R1172 PolarHBondContact O-N 2.97Å; R1172-V1174 HydrophobicContact CG-CG2 4.2Å
1173K40.5Very low48Very low135 Ų135122 Ų12259%0.58762%0.616SS**EExtended strand (participates in β ladder)trans-82.9125.3172.1-46.4-159.4167.5-102.70109.3D1135D1135-K1173 WeakPolarHBondContact OD1-CD 3.48Å; D1135-K1173 WeakPolarHBondContact OD1-CE 3.49Å; D1135-K1173 VanDerWaalsContact OD1-CG 3.24Å; D1135-K1173 WeakPolarHBondContact OD1-CG 3.49Å; D1135-K1173 IonicContact OD1-NZ 2.83Å; D1135-K1173 PolarHBondContact OD1-NZ 2.76Å; D1135-K1173 IonicContact OD2-NZ 3.71Å; D1135-K1173 PolarHBondContact OD2-NZ 3.49Å
1174V46.9Very low45.9Very low87 Ų87126 Ų12653%0.52764%0.638SS.*  trans-130.4109174.7-1760000109.4R1172R1172-V1174 HydrophobicContact CG-CG2 4.2Å
1175A34Very low43.6Very low88 Ų88133 Ų13373%0.72766%0.664SS**  trans-77.2124.7174.500000110.3H1177A1175-H1177 PolarHBondContact O-N 2.76Å
1176K31.7Very low41.2Very low183 Ų183134.6 Ų134.680%0.79667%0.674SS**  trans-78.797178.5-70.4178.8179.5172.50110.9
1177H32Very low39.5Very low174 Ų174139.6 Ų139.681%0.80670%0.701SS**  trans-88.7103.8164.1-117.8-79.1000110.2A1175A1175-H1177 PolarHBondContact O-N 2.76Å
1178N29.1Very low37.2Very low136 Ų136138.6 Ų138.673%0.72772%0.719SS**  trans-83.6116172.4-76.9-43.2000110
1179L31.6Very low35.6Very low157 Ų157141.6 Ų141.682%0.82274%0.737SS**  trans-112.4116155.2-113.678000108.8
1180K26.4Very low33.6Very low202 Ų202138.2 Ų138.288%0.87873%0.733SS**  trans-100.4112.6170.5-79.1-179.8174.8176.10109.3
1181S32Very low32.2Very low109 Ų109140.9 Ų140.976%0.76275%0.747SS**  trans-156.2104.3157.2580000111.9
1182K29.8Very low30.7Very low192 Ų192142.8 Ų142.884%0.83576%0.759SS**  trans21.1117.7153.1-80.8173.3167.7175.10119.8
1183D26.5Very low29.1Very low147 Ų147138 Ų13879%0.78676%0.758SS**  27.6109.6121.4-47.1-35000118.1
1184S26.9Very low28.6Very low118 Ų118138.8 Ų138.883%0.82577%0.769SS**  166149.894.550.30000114
1185F22.8Very low27.7Very low185 Ų185141.5 Ų141.581%0.81178%0.78SS**  trans75.795.1150.2-139.6-101.3000121.8
1186V25.5Very low27.3Very low98 Ų98145 Ų14559%0.59479%0.786SS**  54.4132.7124-176.50000121.4
1187D24.6Very low26.9Very low164 Ų164148.4 Ų148.488%0.87779%0.794SS**  trans67.4113.4163.3-67.2-17.6000120.6
1188G27.6Very low26.5Very low83 Ų83149.9 Ų149.986%0.85680%0.798SS**  trans178.7104.2171.900000112.8
1189H24.2Very low26.2Very low183 Ų183153 Ų15385%0.84780%0.799SS**  trans-85.8141.3-169.3-154.8-109.4000113.4
1190L23Very low25.8Very low132 Ų132150.9 Ų150.969%0.69180%0.798SS**  trans81.1101.4152.4-128.678.2000122.3
1191T26.7Very low25.5Very low111 Ų111150.8 Ų150.868%0.68179%0.792SS**  trans51114.1132.1670000123.9
1192T26Very low25.2Very low132 Ų132151 Ų15181%0.8179%0.791SS**  73.980.3125-38.80000120.6
1193A24Very low25Very low82 Ų82148.6 Ų148.668%0.67879%0.793SS**  -77.3168.6128.700000109.2
1194D29.1Very low24.9Very low152 Ų152149.1 Ų149.181%0.81380%0.796SS**  cis-157.9157.3-11.6-125.2-35.7000107.2
1195N28Very low24.9Very low143 Ų143149.5 Ų149.577%0.76580%0.795SS**  trans-145.6105.8170.3-105.9-47.9000113.3
1196L25.6Very low24.9Very low163 Ų163148.2 Ų148.285%0.85379%0.794SS**  trans4690.1141.2-67.3163.9000117.7
1197R24.1Very low24.9Very low254 Ų254152.1 Ų152.196%0.95880%0.799SS**PPolyproline II helixtrans-93.1134.8159.4-149.3175.3-162.9172.36.3110.8
1198K23.6Very low24.9Very low204 Ų204150.8 Ų150.889%0.88779%0.791SS**PPolyproline II helixtrans-71.4141.5-175.8-71-179.1176.2-178.80112.9
1199R21.3Very low24.8Very low201 Ų201152.3 Ų152.376%0.75879%0.788SS**PPolyproline II helixtrans-74.2138.5165.9-150.4176.2-173.3-178.40.3109.4
1200S23.5Very low24.9Very low114 Ų114147 Ų14780%0.79778%0.783SS**  trans-123.8141.4160.955.60000107.9
1201W19.7Very low25.1Very low199 Ų199148.5 Ų148.575%0.75479%0.792SS**PPolyproline II helixtrans-93.5151.5-177.7-70.590000112.1
1202P27.2Very low25.4Very low114 Ų114149.9 Ų149.974%0.7480%0.799SS**PPolyproline II helixtrans-91.5161.5-1762.719000112.7
1203T24.3Very low25.5Very low141 Ų141148 Ų14887%0.86579%0.791SS**PPolyproline II helixtrans-96.1148.5166.325.90000111.7
1204D24.8Very low25.8Very low158 Ų158150.6 Ų150.685%0.84579%0.794SS**PPolyproline II helixtrans-69.8145.6-167-59.1-67.4000116.2
1205P27.3Very low25.9Very low126 Ų126150.3 Ų150.382%0.81879%0.793SS**PPolyproline II helixtrans-89.8136.2154.434-28.4000111.7
1206M23.3Very low25.8Very low159 Ų159150.9 Ų150.978%0.78380%0.796SS**PPolyproline II helixtrans-82142.3176.7-95.8174.164.400113.6
1207Y24.7Very low26.1Very low180 Ų180149.2 Ų149.271%0.70680%0.798SS**  trans82.9115.5145.8-86.4-127.5000120.9
1208I25.8Very low26.2Very low136 Ų136146.6 Ų146.670%0.69780%0.796SS**  49.3133117.5-60.9-175.7000117.6
1209S25.6Very low26.2Very low114 Ų114140.2 Ų140.280%0.79779%0.789SS**  cis-179.2163.9-12.3-88.40000105.8
1210G26.4Very low26.3Very low72 Ų72135.6 Ų135.674%0.74279%0.787SS**  trans126.989.9156.300000114.5
1211D26.3Very low26.4Very low164 Ų164135.4 Ų135.488%0.87779%0.786SS**  trans-64134.4159.1-47.1-78.6000110.1
1212V32.3Very low26.6Very low139 Ų139133 Ų13384%0.84278%0.78SS**  trans-139.1133.5140.4-175.30000106.8
1213S27.8Very low26.4Very low92 Ų92140.3 Ų140.364%0.64379%0.793SS**  trans-67.8164.2176.549.30000112.5
1214D31Very low26.2Very low138 Ų138139.4 Ų139.474%0.73878%0.778SS**  173.8126.1111.9-79.8-10000110.9
1215D30.6Very low26.2Very low146 Ų146139.6 Ų139.678%0.78177%0.771SS**  trans37.6112.4155.5-63-7.6000122.4
1216D26.5Very low26Very low155 Ų155141 Ų14183%0.82977%0.771SS**  28.3111.8115.3-74.8-15.9000118.6
1217S31.4Very low26Very low127 Ų127138.5 Ų138.589%0.88877%0.769SS**  -172.2158.2113.638.10000113.6
1218Q27Very low26Very low199 Ų199139.4 Ų139.493%0.9378%0.777SS**  trans-74.8158.3-168.5-58169.5-2.100113.5
1219G23.5Very low25.9Very low71 Ų71143.9 Ų143.973%0.73279%0.785SS**  trans115.595134.400000117.5
1220S22.8Very low25.9Very low104 Ų104143.5 Ų143.573%0.72778%0.782SS**  59.8102.3124.4-156.10000119.1
1221S26.7Very low25.8Very low109 Ų109146.6 Ų146.676%0.76278%0.782SS**  trans49.971.9141.766.70000117.3
1222K23.1Very low25.7Very low148 Ų148144.4 Ų144.464%0.64377%0.774SS**  trans-154.274172.5-116.1160.1-179.9169.90115.6F1224K1222-F1224 HydrophobicContact CB-CD2 3.7Å; K1222-F1224 HydrophobicContact CB-CE2 4.09Å; K1222-F1224 HydrophobicContact CB-CG 4.34Å; K1222-F1224 HydrophobicContact CD-CD2 4.02Å; K1222-F1224 HydrophobicContact CD-CE2 3.58Å; K1222-F1224 HydrophobicContact CD-CZ 3.91Å; K1222-F1224 HydrophobicContact CG-CD1 4.43Å; K1222-F1224 HydrophobicContact CG-CD2 3.55Å; K1222-F1224 HydrophobicContact CG-CE2 3.68Å; K1222-F1224 HydrophobicContact CG-CG 3.96Å; K1222-F1224 HydrophobicContact CG-CZ 4.18Å
1223W23.5Very low25.3Very low268 Ų268141.7 Ų141.7100%1.01576%0.761SS**  trans-94.9105.7132-72.9-15.6000104.9
1224F20.6Very low25.2Very low122 Ų122145.3 Ų145.354%0.53577%0.768SS.*  cis68.7104.727.8-93.9-30.2000117K1222K1222-F1224 HydrophobicContact CB-CD2 3.7Å; K1222-F1224 HydrophobicContact CB-CE2 4.09Å; K1222-F1224 HydrophobicContact CB-CG 4.34Å; K1222-F1224 HydrophobicContact CD-CD2 4.02Å; K1222-F1224 HydrophobicContact CD-CE2 3.58Å; K1222-F1224 HydrophobicContact CD-CZ 3.91Å; K1222-F1224 HydrophobicContact CG-CD1 4.43Å; K1222-F1224 HydrophobicContact CG-CD2 3.55Å; K1222-F1224 HydrophobicContact CG-CE2 3.68Å; K1222-F1224 HydrophobicContact CG-CG 3.96Å; K1222-F1224 HydrophobicContact CG-CZ 4.18Å
1225K23.3Very low24.8Very low162 Ų162145.8 Ų145.870%0.70477%0.77SS**  82.6149.6129.6-85.4165.3179.5170.30120.7
1226L23.1Very low24.4Very low155 Ų155148.7 Ų148.781%0.81277%0.77SS**  trans64.698.8176.5-81.669.6000115.3
1227S24.3Very low24.3Very low107 Ų107146.9 Ų146.975%0.74876%0.76SS**  cis81.4101.541.989.90000116.1
1228K25.2Very low23.9Very low199 Ų199148.2 Ų148.287%0.86575%0.752SS**  trans-155105.2136.5-95.4175.9-172.61770104.9
1229R23.2Very low23.9Very low230 Ų230147.3 Ų147.387%0.86875%0.748SS**  94.5132.771.6-107.8-167.9177.6178.70.5110.3
1230S25.4Very low23.9Very low106 Ų106150.2 Ų150.274%0.74175%0.751SS**  trans58.6137.3167.7450000116
1231N24.3Very low24.5Very low137 Ų137151.3 Ų151.373%0.73376%0.756SS**  cis-147143.78.1-113.42.8000108
1232V23.5Very low24.5Very low119 Ų119149.7 Ų149.772%0.72176%0.757SS**  55.8117.391.2175.80000110.3
1233S23.7Very low24.5Very low82 Ų82148 Ų14857%0.57376%0.764SS**  cis-166.6176.62.445.40000110.4
1234E26.9Very low24.4Very low167 Ų167140.4 Ų140.478%0.7875%0.75SS**  trans0.6125.7132.7-47.9164118.100116.2
1235L22.2Very low24.7Very low148 Ų148144.3 Ų144.378%0.77577%0.767SS**  166.3111.5110.7-84.7143.4000105.8
1236R21.7Very low24.8Very low208 Ų208140 Ų14079%0.78576%0.762SS**  56.2110.486.6-88.9-170.9159.6171.4-5.2113.4
1237N24.1Very low25.1Very low117 Ų117140 Ų14063%0.62676%0.763SS**  trans81159132-5910.7000118.9
1238E24.3Very low25.1Very low154 Ų154141.2 Ų141.272%0.7276%0.76SS**  trans63.3109.9168.6-42.4-41.6146.100114
1239E26.8Very low25.2Very low181 Ų181141.1 Ų141.185%0.84676%0.76SS**  cis-163.5132.639.7-108157.3-155.400113.1
1240V24.3Very low25.3Very low131 Ų131134 Ų13479%0.79475%0.749SS**  trans-80.9152.8144.2165.10000106.3
1241P33.9Very low25.3Very low127 Ų127136 Ų13683%0.82575%0.752SS**  cis-132.5157.81424.1-0.3000117.2
1242G27.1Very low25.4Very low76 Ų76138.8 Ų138.878%0.78476%0.758SS**  trans-155.396.1168.200000113
1243S24.1Very low25.3Very low113 Ų113140 Ų14079%0.7976%0.759SS**  trans-35155.8175.459.90000118
1244C20.8Very low25.5Very low107 Ų107143.1 Ų143.172%0.72377%0.769SS**  cis-168.7146.7-13.948.40000109.5
1245K26.1Very low25.4Very low204 Ų204140.4 Ų140.489%0.88776%0.763SS**  trans30.2154134.8-62.1-179.7178.7179.30121.3
1246A26.1Very low25.7Very low73 Ų73140.8 Ų140.860%0.60377%0.767SS**  cis176.9146.6-2100000106.2
1247D28.5Very low25.9Very low155 Ų155138.5 Ų138.583%0.82977%0.765SS**  trans169.7146.3135.7-91.9-19.3000108.8
1248L25.3Very low26.2Very low132 Ų132140.4 Ų140.469%0.69178%0.775SS**  cis172.9151.2-37.5-117.4174000104.6
1249K26.5Very low26.3Very low197 Ų197141.9 Ų141.986%0.85778%0.779SS**  trans79.2144.4173-54.5154.3-174.6171.60115.4
1250A26.5Very low26.2Very low79 Ų79142.2 Ų142.265%0.65378%0.778SS**  cis-161.8135.7-13.800000112.9
1251N24.6Very low26.2Very low149 Ų149143.5 Ų143.580%0.79778%0.779SS**  31.7120.6124.2-55.9-21.6000122
1252K27.1Very low25.7Very low196 Ų196146.9 Ų146.985%0.85278%0.781SS**  149.6126.7122.8-82.8170.8178-178.90109.6
1253L21.7Very low25.4Very low145 Ų145152.7 Ų152.776%0.75978%0.781SS**  cis81.1123.441.1-156.4177.6000112
1254L27.9Very low25.4Very low147 Ų147153.7 Ų153.777%0.7778%0.776SS**  trans123.6106.5175.3-69.4161.6000108.9
1255T24.5Very low25.6Very low109 Ų109155.6 Ų155.667%0.66977%0.774SS**  59.4106.364.9710000114.4
1256D29Very low25.4Very low157 Ų157150.7 Ų150.784%0.8477%0.771SS**  -165.7145.5112.5-115.6-18.3000114
1257E25.3Very low25.2Very low160 Ų160155.2 Ų155.275%0.74878%0.777SS**  trans-78.2133.5169.7-78.9-94.6127.100109.9
1258N30.8Very low24.9Very low157 Ų157153.3 Ų153.384%0.8477%0.774SS**  trans-149.1113.5156.7-108.1-54.5000113.6K1260N1258-K1260 PolarHBondContact O-N 3.18Å
1259K26.3Very low25Very low184 Ų184155.7 Ų155.780%0.878%0.781SS**  trans-67.4124.5178-65.2164.9-179.7168.80110.7
1260K24.7Very low24.8Very low189 Ų189152.3 Ų152.382%0.82278%0.777SS**  trans-15193.5146.4-144.2163.6-168.1166.20112.9N1258 K1262N1258-K1260 PolarHBondContact O-N 3.18Å; K1260-K1262 PolarHBondContact O-N 3.27Å
1261L22.6Very low24.8Very low157 Ų157153.5 Ų153.582%0.82278%0.781SS**  trans-62.8122.1155-77.399.7000108.6
1262K25.2Very low24.9Very low198 Ų198155.6 Ų155.686%0.86178%0.783SS**  trans-128.8112.2141.1-88.2-162.9170.4-169.70107.7K1260K1260-K1262 PolarHBondContact O-N 3.27Å
1263Y20.4Very low24.9Very low199 Ų199152.5 Ų152.578%0.7878%0.78SS**  trans-98153.6179.2-151.8-121.9000107.8
1264I24.6Very low25.4Very low134 Ų134157 Ų15769%0.68779%0.787SS**  trans72.2138.1168.3-41.1-175.6000113.1
1265E23.1Very low25.3Very low147 Ų147152.8 Ų152.869%0.68778%0.778SS**  cis-138.1124.917.8-148.5145.9-116.200112.8
1266A22.4Very low25.9Very low101 Ų101150.3 Ų150.384%0.83577%0.765SS**  trans-83.8107.5153.200000107.7
1267K21.6Very low26.4Very low167 Ų167153.7 Ų153.773%0.72677%0.767SS**  trans-83.7138.5155.4-91.9-175.6179.3173.40108.7E1269K1267-E1269 PolarHBondContact O-N 2.86Å
1268P23.8Very low27Very low116 Ų116153.3 Ų153.375%0.75377%0.765SS**  trans-66.9130.9-177.827.9-34000109.7T1270P1268-T1270 PolarHBondContact O-N 2.78Å
1269E25.8Very low27.2Very low181 Ų181151.3 Ų151.385%0.84675%0.754SS**  trans-62.4110.2163.9-66.8-162.2144.700108.1K1267 S1271K1267-E1269 PolarHBondContact O-N 2.86Å; E1269-S1271 PolarHBondContact O-N 2.68Å; E1269-S1271 VanDerWaalsContact O-N 3.07Å
1270T22.7Very low27.7Very low126 Ų126146 Ų14677%0.77374%0.744SS**  trans-56117.9164.548.20000107.6P1268 K1272P1268-T1270 PolarHBondContact O-N 2.78Å; T1270-K1272 PolarHBondContact O-N 3.16Å; T1270-K1272 VanDerWaalsContact O-N 3.08Å
1271S27.6Very low28.9Very low104 Ų104141 Ų14173%0.72773%0.733SS**  trans-42.2118.3173.751.10000109.9E1269 V1273E1269-S1271 PolarHBondContact O-N 2.68Å; E1269-S1271 VanDerWaalsContact O-N 3.07Å; S1271-V1273 VanDerWaalsContact C-N 3.31Å; S1271-V1273 PolarHBondContact O-N 2.86Å
1272K26.4Very low29.7Very low193 Ų193140.4 Ų140.484%0.83973%0.73SS**  trans-61.494.5176.7-72.8171.1-178.9162.40108.5T1270 R1274T1270-K1272 PolarHBondContact O-N 3.16Å; T1270-K1272 VanDerWaalsContact O-N 3.08Å; K1272-R1274 PolarHBondContact O-N 3.1Å
1273V27Very low30.2Very low131 Ų131138.5 Ų138.579%0.79473%0.728SS**  trans-56.4116.1163.1174.50000105.4S1271 G1275S1271-V1273 VanDerWaalsContact C-N 3.31Å; S1271-V1273 PolarHBondContact O-N 2.86Å; V1273-G1275 PolarHBondContact O-N 2.84Å
1274R31Very low31.3Very low241 Ų241131.5 Ų131.591%0.90971%0.712SS**  trans-73.466.9-175.8-172.7177.7179.9163.9-2.3109.1K1272 S1276K1272-R1274 PolarHBondContact O-N 3.1Å; R1274-S1276 PolarHBondContact O-N 2.79Å
1275G26Very low31.7Very low57 Ų57131.1 Ų131.159%0.58872%0.718SS**  trans-52.7134.5165.400000108.2V1273 R1277V1273-G1275 PolarHBondContact O-N 2.84Å; G1275-R1277 PolarHBondContact O-N 2.88Å
1276S38.6Very low32.4Very low57 Ų57128.1 Ų128.140%0.39971%0.709SS.*  trans-53.9129-177.144.90000109.7R1274 E1278 L1279R1274-S1276 PolarHBondContact O-N 2.79Å; S1276-E1278 PolarHBondContact O-N 2.77Å; S1276-L1279 PolarHBondContact O-N 3.44Å; S1276-L1279 VanDerWaalsContact O-N 3.11Å
1277R38.6Very low33.3Very low229 Ų229127.4 Ų127.486%0.86470%0.696SS**Hα-helixtrans-58.5-16.9-179.3177.4171.5159.8156.3-6.6112.3G1275G1275-R1277 PolarHBondContact O-N 2.88Å
1278E38.2Very low34Very low151 Ų151130.2 Ų130.271%0.70670%0.702SS**Hα-helixtrans-62.7-41.4174.1-68.1139.9-162.600113.6S1276 A1280 S1281S1276-E1278 PolarHBondContact O-N 2.77Å; E1278-A1280 PolarHBondContact O-N 3.49Å; E1278-S1281 PolarHBondContact O-N 3.39Å
1279L33.7Very low35.4Very low116 Ų116128.7 Ų128.761%0.60769%0.694SS**Hα-helixtrans-71.9-29.4-175.5-69.8178000113.3S1276 S1281 L1282S1276-L1279 PolarHBondContact O-N 3.44Å; S1276-L1279 VanDerWaalsContact O-N 3.11Å; L1279-S1281 VanDerWaalsContact C-N 3.33Å; L1279-L1282 HydrophobicContact CD2-CD1 4.4Å
1280A38.1Very low36.4Very low73 Ų73124 Ų12460%0.60367%0.672SS**Hα-helixtrans-71.5-27.9177.200000112.7E1278 L1283 A1284E1278-A1280 PolarHBondContact O-N 3.49Å; A1280-L1283 PolarHBondContact O-N 3.15Å; A1280-A1284 PolarHBondContact O-N 2.81Å
1281S49.4Very low37Very low84 Ų84122.4 Ų122.459%0.58766%0.658SS**Hα-helixtrans-73-24.2177.7-84.50000113.6E1278 L1279 L1283E1278-S1281 PolarHBondContact O-N 3.39Å; L1279-S1281 VanDerWaalsContact C-N 3.33Å; S1281-L1283 VanDerWaalsContact C-N 3.29Å; S1281-L1283 PolarHBondContact O-N 3.34Å
1282L39.3Very low37.4Very low143 Ų143127.8 Ų127.875%0.74966%0.662SS**THydrogen-bonded Turntrans-73-20176.7-68.2174.6000113.6L1279L1279-L1282 HydrophobicContact CD2-CD1 4.4Å
1283L35Very low38Very low158 Ų158125 Ų12583%0.82765%0.647SS**SBendtrans-111.41-177.6-62.4176.5000113.4A1280 S1281A1280-L1283 PolarHBondContact O-N 3.15Å; S1281-L1283 VanDerWaalsContact C-N 3.29Å; S1281-L1283 PolarHBondContact O-N 3.34Å
1284A43.9Very low38.6Very low53 Ų53122.7 Ų122.744%0.43863%0.633SS.*SBendtrans-85.1122.9171.800000109.6A1280 V1286A1280-A1284 PolarHBondContact O-N 2.81Å; A1284-V1286 PolarHBondContact O-N 3.04Å
1285P33.1Very low38.8Very low126 Ų126118.3 Ų118.382%0.81862%0.624SS**  trans-60.2112.2178.3-24.534.6000111.5P1287P1285-P1287 WeakPolarHBondContact O-CD 3.18Å
1286V38.2Very low39.4Very low83 Ų83118.2 Ų118.250%0.50362%0.623SS.*  trans-66123.4-179.2177.90000109.6A1284 R1288 E1290 I1291A1284-V1286 PolarHBondContact O-N 3.04Å; V1286-R1288 PolarHBondContact O-N 2.72Å; V1286-E1290 HydrophobicContact CG1-CB 3.64Å; V1286-E1290 HydrophobicContact CG1-CG 4.1Å; V1286-I1291 HydrophobicContact CB-CG1 4.5Å; V1286-I1291 HydrophobicContact CG1-CG1 3.95Å
1287P41.7Very low39.4Very low87 Ų87121 Ų12157%0.56563%0.63SS**  trans-57.4139.3176.4-25.235000111.3P1285 S1289 E1290P1285-P1287 WeakPolarHBondContact O-CD 3.18Å; P1287-S1289 PolarHBondContact O-N 2.92Å; P1287-E1290 WeakPolarHBondContact O-CB 3Å; P1287-E1290 PolarHBondContact O-N 2.74Å
1288R37Very low39.1Very low226 Ų226114.4 Ų114.485%0.85362%0.619SS**Hα-helixtrans-57.3-21.2-176.6-76-180170.6159.7-3.4114.3V1286 R1292V1286-R1288 PolarHBondContact O-N 2.72Å; R1288-R1292 PolarHBondContact O-N 3.26Å
1289S51.5Low38.7Very low83 Ų83111.9 Ų111.958%0.5862%0.617SS**Hα-helixtrans-63.5-41.4171.349.60000112.7P1287 R1292 R1293P1287-S1289 PolarHBondContact O-N 2.92Å; S1289-R1292 WeakPolarHBondContact O-CB 3.45Å; S1289-R1292 PolarHBondContact O-N 3.03Å; S1289-R1293 PolarHBondContact O-N 2.84Å
1290E46.9Very low38.5Very low83 Ų83109.4 Ų109.439%0.38862%0.619SS.*Hα-helixtrans-71.7-39.7-177.8-159.564.8-151.100110.8V1286 P1287 R1292 R1293 V1294V1286-E1290 HydrophobicContact CG1-CB 3.64Å; V1286-E1290 HydrophobicContact CG1-CG 4.1Å; P1287-E1290 WeakPolarHBondContact O-CB 3Å; P1287-E1290 PolarHBondContact O-N 2.74Å; E1290-R1292 PolarHBondContact O-N 2.84Å; E1290-R1293 WeakPolarHBondContact O-CA 3.38Å; E1290-R1293 WeakPolarHBondContact O-CB 3.47Å; E1290-R1293 PolarHBondContact O-N 3.24Å; E1290-V1294 WeakPolarHBondContact O-CG2 3.21Å; E1290-V1294 PolarHBondContact O-N 3.43Å
1291I35.1Very low38.3Very low93 Ų93113.5 Ų113.548%0.47763%0.63SS.*Hα-helixtrans-56.1-41.2170.9-56.3177.5000110V1286 R1293 M1295V1286-I1291 HydrophobicContact CB-CG1 4.5Å; V1286-I1291 HydrophobicContact CG1-CG1 3.95Å; I1291-R1293 VanDerWaalsContact C-N 3.32Å; I1291-R1293 PolarHBondContact O-N 3.45Å; I1291-M1295 VanDerWaalsContact O-CB 3.31Å; I1291-M1295 WeakPolarHBondContact O-CB 3.45Å; I1291-M1295 WeakPolarHBondContact O-CG 3.28Å; I1291-M1295 PolarHBondContact O-N 3.41Å; I1291-M1295 VanDerWaalsContact O-N 3.12Å
1292R37.7Very low37.4Very low216 Ų216117.2 Ų117.282%0.81564%0.642SS**Hα-helixtrans-69.6-27.5177.1-153.1177.8-143159.66113.1R1288 S1289 E1290 G1296R1288-R1292 PolarHBondContact O-N 3.26Å; S1289-R1292 WeakPolarHBondContact O-CB 3.45Å; S1289-R1292 PolarHBondContact O-N 3.03Å; E1290-R1292 PolarHBondContact O-N 2.84Å; R1292-G1296 PolarHBondContact O-N 3.22Å
1293R38.6Very low37.1Very low135 Ų135117.3 Ų117.351%0.50964%0.637SS.*Hα-helixtrans-78-47.6177.1-143.3-167.495.7159.514.2112.1S1289 E1290 I1291 M1295 G1296 E1297S1289-R1293 PolarHBondContact O-N 2.84Å; E1290-R1293 WeakPolarHBondContact O-CA 3.38Å; E1290-R1293 WeakPolarHBondContact O-CB 3.47Å; E1290-R1293 PolarHBondContact O-N 3.24Å; I1291-R1293 VanDerWaalsContact C-N 3.32Å; I1291-R1293 PolarHBondContact O-N 3.45Å; R1293-M1295 VanDerWaalsContact C-N 3.32Å; R1293-M1295 PolarHBondContact O-N 3.43Å; R1293-G1296 CarbonylContact O-C 3.57Å; R1293-G1296 WeakPolarHBondContact O-CA 3.11Å; R1293-G1296 PolarHBondContact O-N 3.08Å; R1293-E1297 IonicContact CZ-OE1 3.76Å; R1293-E1297 VanDerWaalsContact CZ-OE1 3.28Å; R1293-E1297 IonicContact CZ-OE2 2.66Å; R1293-E1297 IonicContact NE-OE1 3.02Å; R1293-E1297 PolarHBondContact NE-OE1 3.46Å; R1293-E1297 IonicContact NE-OE2 3.04Å; R1293-E1297 PolarHBondContact NE-OE2 3.38Å; R1293-E1297 IonicContact NH2-OE1 3.81Å; R1293-E1297 PolarHBondContact NH2-OE1 3.5Å; R1293-E1297 IonicContact NH2-OE2 3.29Å; R1293-E1297 PolarHBondContact NH2-OE2 3.11Å; R1293-E1297 PolarHBondContact O-N 3.05Å
1294V40.1Very low37.2Very low83 Ų83118.5 Ų118.550%0.50364%0.638SS.*Hα-helixtrans-63.1-38.2177.5175.90000111.6E1290 G1296 E1297 S1298E1290-V1294 WeakPolarHBondContact O-CG2 3.21Å; E1290-V1294 PolarHBondContact O-N 3.43Å; V1294-G1296 PolarHBondContact O-N 2.94Å; V1294-E1297 PolarHBondContact O-N 3.17Å; V1294-S1298 PolarHBondContact O-N 3.35Å; V1294-S1298 PolarHBondContact O-OG 3.34Å
1295M33.7Very low36.6Very low149 Ų149124.4 Ų124.473%0.73466%0.657SS**Hα-helixtrans-68.1-15.6170.9-69.6-67.7-63.400113.6I1291 R1293I1291-M1295 VanDerWaalsContact O-CB 3.31Å; I1291-M1295 WeakPolarHBondContact O-CB 3.45Å; I1291-M1295 WeakPolarHBondContact O-CG 3.28Å; I1291-M1295 PolarHBondContact O-N 3.41Å; I1291-M1295 VanDerWaalsContact O-N 3.12Å; R1293-M1295 VanDerWaalsContact C-N 3.32Å; R1293-M1295 PolarHBondContact O-N 3.43Å
1296G39.9Very low36.5Very low55 Ų55125 Ų12557%0.56765%0.65SS**Hα-helixtrans-91.1-32.7174.600000113.8R1292 R1293 V1294R1292-G1296 PolarHBondContact O-N 3.22Å; R1293-G1296 CarbonylContact O-C 3.57Å; R1293-G1296 WeakPolarHBondContact O-CA 3.11Å; R1293-G1296 PolarHBondContact O-N 3.08Å; V1294-G1296 PolarHBondContact O-N 2.94Å
1297E37.1Very low36.1Very low116 Ų116130.5 Ų130.554%0.54266%0.663SS.*Hα-helixtrans-91.2-18.5-169.2-71.2175.1164.800114.4R1293 V1294R1293-E1297 IonicContact CZ-OE1 3.76Å; R1293-E1297 VanDerWaalsContact CZ-OE1 3.28Å; R1293-E1297 IonicContact CZ-OE2 2.66Å; R1293-E1297 IonicContact NE-OE1 3.02Å; R1293-E1297 PolarHBondContact NE-OE1 3.46Å; R1293-E1297 IonicContact NE-OE2 3.04Å; R1293-E1297 PolarHBondContact NE-OE2 3.38Å; R1293-E1297 IonicContact NH2-OE1 3.81Å; R1293-E1297 PolarHBondContact NH2-OE1 3.5Å; R1293-E1297 IonicContact NH2-OE2 3.29Å; R1293-E1297 PolarHBondContact NH2-OE2 3.11Å; R1293-E1297 PolarHBondContact O-N 3.05Å; V1294-E1297 PolarHBondContact O-N 3.17Å
1298S33.1Very low35.7Very low90 Ų90135.3 Ų135.363%0.62968%0.676SS**SBendtrans-93.4-2-17453.60000116.6V1294V1294-S1298 PolarHBondContact O-N 3.35Å; V1294-S1298 PolarHBondContact O-OG 3.34Å
1299C30Very low35.4Very low98 Ų98135.5 Ų135.566%0.66268%0.676SS**SBendtrans-121.247.1173.4-72.50000111.7
1300G29.5Very low34.4Very low63 Ų63137.6 Ų137.665%0.64968%0.678SS**  trans-106.389.8173.700000111.9
1301L32.9Very low33.6Very low160 Ų160139.4 Ų139.484%0.83870%0.7SS**SBendtrans178.2152.8148.3-96165.3000108.1
1302L31.6Very low33.5Very low161 Ų161137.8 Ų137.884%0.84371%0.707SS**SBendtrans70.231.9-177.1-48-176.7000117.6
1303K33.6Very low33.1Very low146 Ų146137 Ų13764%0.63571%0.712SS**  trans-84.6-20172-93.6-178.4178.4171.60115.8Y1307K1303-Y1307 WeakPolarHBondContact O-CD2 3.38Å
1304E35.2Very low32.8Very low183 Ų183139.3 Ų139.386%0.85573%0.729SS**THydrogen-bonded Turntrans-81.2-23.6-169-75.1-175.8130.600115.6
1305E33.1Very low32.5Very low177 Ų177139.1 Ų139.183%0.82774%0.744SS**THydrogen-bonded Turntrans-89.7-27.2-177.5-63.5-160.9139.500114.5
1306M30.9Very low32.1Very low139 Ų139141.3 Ų141.369%0.68575%0.75SS**G310 helixtrans-78-23-179.9-88.9-162163.100114.6K1308 R1309M1306-K1308 PolarHBondContact O-N 2.73Å; M1306-K1308 VanDerWaalsContact O-N 3.09Å; M1306-R1309 PolarHBondContact O-N 3.31Å; M1306-R1309 VanDerWaalsContact O-N 3.12Å
1307Y28.7Very low31.8Very low197 Ų197144.3 Ų144.377%0.77376%0.762SS**G310 helixtrans-64.7-13.3176.9-93.2-79.8000113.8K1303K1303-Y1307 WeakPolarHBondContact O-CD2 3.38Å
1308K34.4Very low31.6Very low189 Ų189150.4 Ų150.482%0.82278%0.78SS**G310 helixtrans-86.3-0.3173.7-80.1-175.3176.3174.80115.5M1306M1306-K1308 PolarHBondContact O-N 2.73Å; M1306-K1308 VanDerWaalsContact O-N 3.09Å
1309R30.9Very low31.5Very low229 Ų229151.6 Ų151.686%0.86479%0.788SS**THydrogen-bonded Turntrans-129.6-5.2-176.9-84.8-171.8-177.3160.64.4118.1M1306M1306-R1309 PolarHBondContact O-N 3.31Å; M1306-R1309 VanDerWaalsContact O-N 3.12Å
1310M30.4Very low31.6Very low127 Ų127155.1 Ų155.163%0.62680%0.795SS**  trans-121.737.3178.4-67.4-162.8-65.400114.5G1312M1310-G1312 PolarHBondContact O-N 3.06Å
1311S28.9Very low31.6Very low122 Ų122156.7 Ų156.785%0.85379%0.793SS**  trans-71.768.3151.658.20000109.5
1312G32.7Very low31.7Very low59 Ų59156.7 Ų156.761%0.60879%0.789SS**SBendtrans-166.9116.7-17700000109.8M1310 Q1314M1310-G1312 PolarHBondContact O-N 3.06Å; G1312-Q1314 PolarHBondContact O-N 2.86Å
1313E29Very low31.8Very low198 Ų198156.8 Ų156.893%0.92578%0.783SS**  trans-71.1105.7-169-57.8174.3129.400112.8
1314Q33.5Very low32Very low184 Ų184158 Ų15886%0.8679%0.79SS**  trans-140128.3152.1-70.3-161.6-2.400110.7G1312G1312-Q1314 PolarHBondContact O-N 2.86Å
1315G32.5Very low32.8Very low80 Ų80154.1 Ų154.183%0.82578%0.781SS**PPolyproline II helixtrans-76.8132-173.900000113.1S1317G1315-S1317 PolarHBondContact O-N 2.94Å
1316F27Very low33.5Very low195 Ų195152.6 Ų152.686%0.85577%0.768SS**PPolyproline II helixtrans-65.4122.2175.6-75-95.7000111.7
1317S32.5Very low35.1Very low117 Ų117148.4 Ų148.482%0.81875%0.752SS**PPolyproline II helixtrans-81.2141166.6610000110.8G1315G1315-S1317 PolarHBondContact O-N 2.94Å
1318R32.9Very low36.9Very low244 Ų244142.6 Ų142.692%0.92175%0.745SS**PPolyproline II helixtrans-78124.5-173.2-169.7177-177.7-172.40.1109.9Q1320R1318-Q1320 PolarHBondContact O-N 2.85Å; R1318-Q1320 VanDerWaalsContact O-N 3.13Å
1319S32.2Very low37.8Very low115 Ų115137.6 Ų137.680%0.80473%0.734SS**  trans-55.3113.2-175.155.60000112.9
1320Q30.2Very low39Very low173 Ų173131.4 Ų131.481%0.80872%0.715SS**  trans-64.1150.8158.4-82.8-175.2-31.700109.6R1318 H1322R1318-Q1320 PolarHBondContact O-N 2.85Å; R1318-Q1320 VanDerWaalsContact O-N 3.13Å; Q1320-H1322 PolarHBondContact O-N 2.8Å
1321P30.3Very low40.5Very low95 Ų95129.2 Ų129.262%0.61770%0.703SS**  trans-63.7106.8169.927.5-32.9000108.7F1323P1321-F1323 VanDerWaalsContact C-N 3.3Å; P1321-F1323 HydrophobicContact CG-CE2 4.45Å; P1321-F1323 PolarHBondContact O-N 2.93Å
1322H35.6Very low42.1Very low160 Ų160125.2 Ų125.274%0.74167%0.672SS**  trans-75.286.8176.2-171.173.2000108.7Q1320 Q1324Q1320-H1322 PolarHBondContact O-N 2.8Å; H1322-Q1324 PolarHBondContact O-N 2.79Å
1323F32.7Very low43.4Very low164 Ų164127.5 Ų127.572%0.71966%0.663SS**PPolyproline II helixtrans-58122.2155.5-69.1-84000106.6P1321 P1325P1321-F1323 VanDerWaalsContact C-N 3.3Å; P1321-F1323 HydrophobicContact CG-CE2 4.45Å; P1321-F1323 PolarHBondContact O-N 2.93Å; F1323-P1325 WeakPolarHBondContact O-CD 3.4Å; F1323-P1325 VanDerWaalsContact O-N 3.16Å
1324Q39.3Very low44.9Very low170 Ų170121 Ų12179%0.79463%0.634SS**PPolyproline II helixtrans-57.1122.4167-108.5-179.4-20.700106.9H1322 R1326H1322-Q1324 PolarHBondContact O-N 2.79Å; Q1324-R1326 PolarHBondContact O-N 2.88Å
1325P52.2Low46.2Very low102 Ų102113.7 Ų113.766%0.66260%0.601SS**PPolyproline II helixtrans-58.8132.517025.5-32000107.2F1323F1323-P1325 WeakPolarHBondContact O-CD 3.4Å; F1323-P1325 VanDerWaalsContact O-N 3.16Å
1326R47.5Very low47.6Very low146 Ų146117.5 Ų117.555%0.55159%0.59SS**PPolyproline II helixtrans-59.7154.8175.4-93.3179.8-78.1-121-0.5109.1Q1324 A1328 E1330 E1331Q1324-R1326 PolarHBondContact O-N 2.88Å; R1326-A1328 PolarHBondContact O-N 3.48Å; R1326-E1330 HydrophobicContact CB-CB 4.16Å; R1326-E1330 HydrophobicContact CG-CB 4.29Å; R1326-E1331 HydrophobicContact CB-CG 3.51Å
1327S64.8Low49.2Very low50 Ų50108.9 Ų108.935%0.3555%0.554SS.*PPolyproline II helixtrans-59.3141.6170.363.40000109S1329 E1330 E1331S1327-S1329 WeakPolarHBondContact CB-OG 3.46Å; S1327-S1329 PolarHBondContact O-N 3.25Å; S1327-S1329 PolarHBondContact OG-OG 2.86Å; S1327-E1330 PolarHBondContact N-OE2 2.91Å; S1327-E1330 WeakPolarHBondContact O-CA 3.11Å; S1327-E1330 PolarHBondContact O-N 3.47Å; S1327-E1330 WeakPolarHBondContact OG-CB 3.45Å; S1327-E1330 VanDerWaalsContact OG-CG 3.24Å; S1327-E1330 WeakPolarHBondContact OG-CG 3.19Å; S1327-E1330 PolarHBondContact OG-N 3.11Å; S1327-E1330 PolarHBondContact OG-OE2 3.13Å; S1327-E1331 PolarHBondContact O-N 3.5Å
1328A64.5Low50.6Low76 Ų76105.7 Ų105.763%0.62853%0.527SS*.Hα-helixtrans-56-25.9177.900000112.1R1326 D1332R1326-A1328 PolarHBondContact O-N 3.48Å; A1328-D1332 VanDerWaalsContact O-CB 3.27Å; A1328-D1332 WeakPolarHBondContact O-CB 3.42Å; A1328-D1332 PolarHBondContact O-N 2.86Å
1329S55.4Low51.8Low83 Ų8399.8 Ų99.858%0.5851%0.509SS*.Hα-helixtrans-67.5-38.5170.138.20000114.8S1327 Y1333S1327-S1329 WeakPolarHBondContact CB-OG 3.46Å; S1327-S1329 PolarHBondContact O-N 3.25Å; S1327-S1329 PolarHBondContact OG-OG 2.86Å; S1329-Y1333 WeakPolarHBondContact O-CB 3.2Å; S1329-Y1333 PolarHBondContact O-N 3.5Å
1330E54.4Low53Low99 Ų9999.2 Ų99.246%0.46350%0.5SS..Hα-helixtrans-72.2-39173.4-78.7166.2120.400111.5R1326 S1327 Y1333 I1334R1326-E1330 HydrophobicContact CB-CB 4.16Å; R1326-E1330 HydrophobicContact CG-CB 4.29Å; S1327-E1330 PolarHBondContact N-OE2 2.91Å; S1327-E1330 WeakPolarHBondContact O-CA 3.11Å; S1327-E1330 PolarHBondContact O-N 3.47Å; S1327-E1330 WeakPolarHBondContact OG-CB 3.45Å; S1327-E1330 VanDerWaalsContact OG-CG 3.24Å; S1327-E1330 WeakPolarHBondContact OG-CG 3.19Å; S1327-E1330 PolarHBondContact OG-N 3.11Å; S1327-E1330 PolarHBondContact OG-OE2 3.13Å; E1330-Y1333 PolarHBondContact O-N 2.87Å; E1330-I1334 WeakPolarHBondContact O-CB 3.25Å; E1330-I1334 VanDerWaalsContact O-CG1 3.25Å; E1330-I1334 WeakPolarHBondContact O-CG1 2.82Å; E1330-I1334 PolarHBondContact O-N 3.21Å
1331E63.2Low54.4Low81 Ų8195.5 Ų95.538%0.37948%0.482SS..Hα-helixtrans-66.9-45176.2-59.4-164.8150.300110.8R1326 S1327 Y1333 I1334 L1335R1326-E1331 HydrophobicContact CB-CG 3.51Å; S1327-E1331 PolarHBondContact O-N 3.5Å; E1331-Y1333 VanDerWaalsContact C-N 3.3Å; E1331-Y1333 PolarHBondContact O-N 2.89Å; E1331-I1334 PolarHBondContact O-N 2.58Å; E1331-L1335 VanDerWaalsContact O-CB 3.29Å; E1331-L1335 WeakPolarHBondContact O-CB 3.43Å; E1331-L1335 VanDerWaalsContact O-CG 3.24Å; E1331-L1335 WeakPolarHBondContact O-CG 3.25Å; E1331-L1335 PolarHBondContact O-N 2.92Å
1332D61.1Low56Low39 Ų3992.5 Ų92.521%0.20947%0.468CS..Hα-helixtrans-59.4-39.1169.9-95.622.4000111.6A1328 R1336 R1389A1328-D1332 VanDerWaalsContact O-CB 3.27Å; A1328-D1332 WeakPolarHBondContact O-CB 3.42Å; A1328-D1332 PolarHBondContact O-N 2.86Å; D1332-R1336 WeakPolarHBondContact O-CB 3.18Å; D1332-R1336 WeakPolarHBondContact O-CD 3.41Å; D1332-R1336 WeakPolarHBondContact O-CG 3.1Å; D1332-R1336 PolarHBondContact O-N 3.29Å; D1332-R1336 IonicContact OD2-NH2 2.68Å; D1332-R1389 IonicContact OD1-CZ 3.04Å; D1332-R1389 VanDerWaalsContact OD1-CZ 3.3Å; D1332-R1389 IonicContact OD1-NH1 2.84Å; D1332-R1389 PolarHBondContact OD1-NH1 2.87Å; D1332-R1389 IonicContact OD1-NH2 2.99Å; D1332-R1389 PolarHBondContact OD1-NH2 2.86Å; D1332-R1389 IonicContact OD2-NH2 3.8Å
1333Y61.3Low57.6Low107 Ų10789.3 Ų89.342%0.4246%0.455SS..Hα-helixtrans-67-46.2177.6179-96.6000112.1S1329 E1330 E1331 R1336 S1337S1329-Y1333 WeakPolarHBondContact O-CB 3.2Å; S1329-Y1333 PolarHBondContact O-N 3.5Å; E1330-Y1333 PolarHBondContact O-N 2.87Å; E1331-Y1333 VanDerWaalsContact C-N 3.3Å; E1331-Y1333 PolarHBondContact O-N 2.89Å; Y1333-R1336 PolarHBondContact O-N 2.87Å; Y1333-S1337 VanDerWaalsContact O-CB 3.27Å; Y1333-S1337 WeakPolarHBondContact O-CB 3.23Å; Y1333-S1337 PolarHBondContact O-N 3.4Å; Y1333-S1337 PolarHBondContact O-OG 3.26Å
1334I59.4Low58.9Low60 Ų6083.8 Ų83.831%0.30843%0.433SS..Hα-helixtrans-61.7-51.5176.7-68.8163.8000109.6E1330 E1331 R1336 S1337 I1338E1330-I1334 WeakPolarHBondContact O-CB 3.25Å; E1330-I1334 VanDerWaalsContact O-CG1 3.25Å; E1330-I1334 WeakPolarHBondContact O-CG1 2.82Å; E1330-I1334 PolarHBondContact O-N 3.21Å; E1331-I1334 PolarHBondContact O-N 2.58Å; I1334-R1336 PolarHBondContact O-N 2.84Å; I1334-S1337 PolarHBondContact O-N 3.47Å; I1334-S1337 VanDerWaalsContact O-N 3.15Å; I1334-S1337 PolarHBondContact O-OG 2.88Å; I1334-I1338 HydrophobicContact CG2-CD1 3.87Å; I1334-I1338 WeakPolarHBondContact O-CG1 3.46Å; I1334-I1338 PolarHBondContact O-N 3.12Å
1335L60.6Low60.1Low31 Ų3179.6 Ų79.616%0.16243%0.428CS..Hα-helixtrans-60.7-45.7179-69.4172.9000111.4E1331 S1337 I1338 F1339 V1390 I1393E1331-L1335 VanDerWaalsContact O-CB 3.29Å; E1331-L1335 WeakPolarHBondContact O-CB 3.43Å; E1331-L1335 VanDerWaalsContact O-CG 3.24Å; E1331-L1335 WeakPolarHBondContact O-CG 3.25Å; E1331-L1335 PolarHBondContact O-N 2.92Å; L1335-S1337 VanDerWaalsContact C-N 3.34Å; L1335-S1337 PolarHBondContact O-N 3.49Å; L1335-I1338 PolarHBondContact O-N 3.42Å; L1335-F1339 WeakPolarHBondContact O-CB 3.01Å; L1335-F1339 WeakPolarHBondContact O-CD2 3.47Å; L1335-F1339 PolarHBondContact O-N 2.88Å; L1335-V1390 HydrophobicContact CD2-CG2 3.95Å; L1335-I1393 HydrophobicContact CD2-CD1 4.17Å
1336R63.4Low60.7Low160 Ų16078.5 Ų78.560%0.60441%0.414SS*.Hα-helixtrans-61-40.6174.1-74.5169.6-176.5-169.84.5111.8D1332 Y1333 I1334 I1338 F1339 V1340D1332-R1336 WeakPolarHBondContact O-CB 3.18Å; D1332-R1336 WeakPolarHBondContact O-CD 3.41Å; D1332-R1336 WeakPolarHBondContact O-CG 3.1Å; D1332-R1336 PolarHBondContact O-N 3.29Å; D1332-R1336 IonicContact OD2-NH2 2.68Å; Y1333-R1336 PolarHBondContact O-N 2.87Å; I1334-R1336 PolarHBondContact O-N 2.84Å; R1336-I1338 VanDerWaalsContact C-N 3.33Å; R1336-I1338 PolarHBondContact O-N 3.09Å; R1336-F1339 PolarHBondContact O-N 2.99Å; R1336-V1340 VanDerWaalsContact O-CB 3.31Å; R1336-V1340 WeakPolarHBondContact O-CB 3.49Å; R1336-V1340 VanDerWaalsContact O-CG2 3.23Å; R1336-V1340 WeakPolarHBondContact O-CG2 3.27Å; R1336-V1340 PolarHBondContact O-N 2.79Å
1337S59.1Low61.5Low14 Ų1472.8 Ų72.810%0.09839%0.394CS..Hα-helixtrans-65.5-35.9178.578.10000112.4Y1333 I1334 L1335 F1341Y1333-S1337 VanDerWaalsContact O-CB 3.27Å; Y1333-S1337 WeakPolarHBondContact O-CB 3.23Å; Y1333-S1337 PolarHBondContact O-N 3.4Å; Y1333-S1337 PolarHBondContact O-OG 3.26Å; I1334-S1337 PolarHBondContact O-N 3.47Å; I1334-S1337 VanDerWaalsContact O-N 3.15Å; I1334-S1337 PolarHBondContact O-OG 2.88Å; L1335-S1337 VanDerWaalsContact C-N 3.34Å; L1335-S1337 PolarHBondContact O-N 3.49Å; S1337-F1341 WeakPolarHBondContact O-CB 3.37Å; S1337-F1341 WeakPolarHBondContact O-CD2 3.3Å; S1337-F1341 PolarHBondContact O-N 3.35Å
1338I61.9Low61.7Low50 Ų5075.1 Ų75.126%0.25640%0.402SS..Hα-helixtrans-72-42.3174.2-65.9165.8000110.6I1334 L1335 R1336 G1342 I1343I1334-I1338 HydrophobicContact CG2-CD1 3.87Å; I1334-I1338 WeakPolarHBondContact O-CG1 3.46Å; I1334-I1338 PolarHBondContact O-N 3.12Å; L1335-I1338 PolarHBondContact O-N 3.42Å; R1336-I1338 VanDerWaalsContact C-N 3.33Å; R1336-I1338 PolarHBondContact O-N 3.09Å; I1338-G1342 CarbonylContact O-C 3.56Å; I1338-G1342 WeakPolarHBondContact O-CA 3.36Å; I1338-G1342 PolarHBondContact O-N 2.89Å; I1338-I1343 HydrophobicContact CG2-CD1 4.38Å; I1338-I1343 HydrophobicContact CG2-CG1 3.71Å
1339F58.1Low61.5Low120 Ų12075 Ų7553%0.52640%0.396SS..Hα-helixtrans-63.3-40.4176.2-90.3-63.6000113.4L1335 R1336 I1393L1335-F1339 WeakPolarHBondContact O-CB 3.01Å; L1335-F1339 WeakPolarHBondContact O-CD2 3.47Å; L1335-F1339 PolarHBondContact O-N 2.88Å; R1336-F1339 PolarHBondContact O-N 2.99Å; F1339-I1393 HydrophobicContact CD2-CD1 4.07Å; F1339-I1393 HydrophobicContact CE1-CB 4.48Å; F1339-I1393 HydrophobicContact CE1-CD1 3.99Å; F1339-I1393 HydrophobicContact CE1-CG1 3.86Å; F1339-I1393 HydrophobicContact CE1-CG2 4.13Å; F1339-I1393 HydrophobicContact CE2-CD1 3.46Å; F1339-I1393 VanDerWaalsContact CE2-CD1 3.46Å; F1339-I1393 HydrophobicContact CE2-CG1 3.89Å; F1339-I1393 HydrophobicContact CZ-CB 4.41Å; F1339-I1393 HydrophobicContact CZ-CD1 3.47Å; F1339-I1393 VanDerWaalsContact CZ-CD1 3.47Å; F1339-I1393 HydrophobicContact CZ-CG1 3.37Å; F1339-I1393 HydrophobicContact CZ-CG2 4.49Å
1340V58.1Low61.9Low104 Ų10477.2 Ų77.263%0.6340%0.396SS*.Hα-helixtrans-83.2-37.4-174.9173.40000112R1336R1336-V1340 VanDerWaalsContact O-CB 3.31Å; R1336-V1340 WeakPolarHBondContact O-CB 3.49Å; R1336-V1340 VanDerWaalsContact O-CG2 3.23Å; R1336-V1340 WeakPolarHBondContact O-CG2 3.27Å; R1336-V1340 PolarHBondContact O-N 2.79Å
1341F60.7Low62.4Low95 Ų9577.2 Ų77.242%0.41740%0.397SS..Hα-helixtrans-110.8-10.7-173.3-56.4-63.7000114.8S1337 E1741 F1742S1337-F1341 WeakPolarHBondContact O-CB 3.37Å; S1337-F1341 WeakPolarHBondContact O-CD2 3.3Å; S1337-F1341 PolarHBondContact O-N 3.35Å; F1341-E1741 WeakPolarHBondContact CZ-OE2 3.2Å; F1341-F1742 HydrophobicContact CD1-CE2 4.33Å; F1341-F1742 AromaticContact CD1-CZ 3.71Å; F1341-F1742 HydrophobicContact CD1-CZ 3.71Å; F1341-F1742 HydrophobicContact CD2-CZ 4.09Å; F1341-F1742 AromaticContact CE1-CE2 3.79Å; F1341-F1742 HydrophobicContact CE1-CE2 3.79Å; F1341-F1742 AromaticContact CE1-CZ 3.65Å; F1341-F1742 HydrophobicContact CE1-CZ 3.65Å; F1341-F1742 HydrophobicContact CE2-CE2 4.16Å; F1341-F1742 HydrophobicContact CE2-CZ 4.03Å; F1341-F1742 AromaticContact CG-CZ 3.93Å; F1341-F1742 HydrophobicContact CG-CZ 3.93Å; F1341-F1742 AromaticContact CZ-CE2 3.69Å; F1341-F1742 HydrophobicContact CZ-CE2 3.69Å; F1341-F1742 AromaticContact CZ-CZ 3.81Å; F1341-F1742 HydrophobicContact CZ-CZ 3.81Å
1342G63.1Low62.6Low32 Ų3276.4 Ų76.433%0.3340%0.4SS..  trans86-176.8-175.700000114.2I1338 R1714I1338-G1342 CarbonylContact O-C 3.56Å; I1338-G1342 WeakPolarHBondContact O-CA 3.36Å; I1338-G1342 PolarHBondContact O-N 2.89Å; G1342-R1714 PolarHBondContact O-NH1 3.36Å
1343I68.6Low62.6Low93 Ų9380.7 Ų80.748%0.47742%0.419SS..  trans-99.2121.9175.6-61.1174.2000107.2I1338 D1347 L1348 M1351I1338-I1343 HydrophobicContact CG2-CD1 4.38Å; I1338-I1343 HydrophobicContact CG2-CG1 3.71Å; I1343-D1347 HydrophobicContact CG2-CB 3.65Å; I1343-L1348 HydrophobicContact CG2-CB 4.19Å; I1343-M1351 HydrophobicContact CD1-CE 3.97Å
1344D59.8Low62.6Low48 Ų4877.4 Ų77.426%0.25741%0.414SS..  trans-87.4177173.775.837.3000112.4E1346 D1347 L1348D1344-E1346 VanDerWaalsContact C-N 3.26Å; D1344-E1346 PolarHBondContact O-N 3.42Å; D1344-E1346 WeakPolarHBondContact OD1-CA 3.22Å; D1344-E1346 WeakPolarHBondContact OD1-CB 3.41Å; D1344-E1346 PolarHBondContact OD1-N 3.4Å; D1344-D1347 PolarHBondContact N-OD2 2.57Å; D1344-D1347 PolarHBondContact O-N 3.03Å; D1344-D1347 PolarHBondContact OD1-N 3.22Å; D1344-L1348 WeakPolarHBondContact O-CB 3.46Å; D1344-L1348 PolarHBondContact O-N 2.91Å
1345A64.7Low62.9Low82 Ų8281.7 Ų81.768%0.67843%0.427SS*.Hα-helixtrans-67.8-25.1-176.800000113.4S1349A1345-S1349 WeakPolarHBondContact O-CB 3.47Å; A1345-S1349 PolarHBondContact O-N 2.85Å
1346E64.3Low63.1Low79 Ų7986.6 Ų86.637%0.36945%0.449SS..Hα-helixtrans-85-36.9178.6-68.8179.7-178.500110.9D1344 L1348 S1349 F1350 V1717 R1721D1344-E1346 VanDerWaalsContact C-N 3.26Å; D1344-E1346 PolarHBondContact O-N 3.42Å; D1344-E1346 WeakPolarHBondContact OD1-CA 3.22Å; D1344-E1346 WeakPolarHBondContact OD1-CB 3.41Å; D1344-E1346 PolarHBondContact OD1-N 3.4Å; E1346-L1348 VanDerWaalsContact C-N 3.31Å; E1346-L1348 PolarHBondContact O-N 3.26Å; E1346-S1349 PolarHBondContact O-N 2.87Å; E1346-F1350 VanDerWaalsContact O-CB 3.32Å; E1346-F1350 WeakPolarHBondContact O-CB 3.28Å; E1346-F1350 PolarHBondContact O-N 3.43Å; E1346-V1717 WeakPolarHBondContact OE2-CG1 3.38Å; E1346-R1721 IonicContact OE1-CZ 3.85Å; E1346-R1721 IonicContact OE1-NE 3.58Å; E1346-R1721 IonicContact OE1-NH2 3.93Å; E1346-R1721 PolarHBondContact OE1-NH2 2.89Å; E1346-R1721 IonicContact OE2-CZ 4Å; E1346-R1721 VanDerWaalsContact OE2-CZ 3.23Å; E1346-R1721 IonicContact OE2-NE 2.72Å; E1346-R1721 PolarHBondContact OE2-NE 3.39Å; E1346-R1721 IonicContact OE2-NH2 2.79Å; E1346-R1721 PolarHBondContact OE2-NH2 3.31Å
1347D66Low63.1Low26 Ų2684.4 Ų84.414%0.13944%0.444CS..Hα-helixtrans-56.4-47.2165.5-61.3-40.6000110.9I1343 D1344 F1350 M1351 R1714I1343-D1347 HydrophobicContact CG2-CB 3.65Å; D1344-D1347 PolarHBondContact N-OD2 2.57Å; D1344-D1347 PolarHBondContact O-N 3.03Å; D1344-D1347 PolarHBondContact OD1-N 3.22Å; D1347-F1350 PolarHBondContact O-N 2.96Å; D1347-M1351 WeakPolarHBondContact O-CG 3.49Å; D1347-M1351 PolarHBondContact O-N 3.11Å; D1347-R1714 IonicContact OD1-CZ 3.27Å; D1347-R1714 IonicContact OD1-NH2 2.58Å; D1347-R1714 PolarHBondContact OD1-NH2 2.89Å; D1347-R1714 IonicContact OD2-CZ 2.78Å; D1347-R1714 IonicContact OD2-NH1 3.16Å; D1347-R1714 IonicContact OD2-NH2 2.57Å; D1347-R1714 PolarHBondContact OD2-NH2 2.83Å
1348L67.2Low63.3Low98 Ų9888.9 Ų88.951%0.51347%0.466SS..Hα-helixtrans-63.8-43.3179.3-175.562.9000110.8I1343 D1344 E1346 F1350 M1351 C1352I1343-L1348 HydrophobicContact CG2-CB 4.19Å; D1344-L1348 WeakPolarHBondContact O-CB 3.46Å; D1344-L1348 PolarHBondContact O-N 2.91Å; E1346-L1348 VanDerWaalsContact C-N 3.31Å; E1346-L1348 PolarHBondContact O-N 3.26Å; L1348-F1350 PolarHBondContact O-N 3.21Å; L1348-M1351 PolarHBondContact O-N 3.16Å; L1348-C1352 WeakPolarHBondContact O-CB 3.31Å; L1348-C1352 PolarHBondContact O-N 2.83Å; L1348-C1352 PolarHBondContact O-SG 2.73Å
1349S61.2Low63.4Low73 Ų7389.9 Ų89.951%0.5147%0.472SS..Hα-helixtrans-59.8-44.3173.5-1710000111.9A1345 E1346 C1352 E1353A1345-S1349 WeakPolarHBondContact O-CB 3.47Å; A1345-S1349 PolarHBondContact O-N 2.85Å; E1346-S1349 PolarHBondContact O-N 2.87Å; S1349-C1352 PolarHBondContact O-N 2.72Å; S1349-E1353 WeakPolarHBondContact O-CB 3.4Å; S1349-E1353 PolarHBondContact O-N 3.38Å
1350F63.3Low63.4Low130 Ų13087.7 Ų87.757%0.5747%0.471SS*.Hα-helixtrans-64.9-41.5177.7175.4-98.6000111.9E1346 D1347 L1348 E1353 A1354E1346-F1350 VanDerWaalsContact O-CB 3.32Å; E1346-F1350 WeakPolarHBondContact O-CB 3.28Å; E1346-F1350 PolarHBondContact O-N 3.43Å; D1347-F1350 PolarHBondContact O-N 2.96Å; L1348-F1350 PolarHBondContact O-N 3.21Å; F1350-E1353 PolarHBondContact O-N 3.31Å; F1350-A1354 VanDerWaalsContact O-CB 3.25Å; F1350-A1354 WeakPolarHBondContact O-CB 3.41Å; F1350-A1354 PolarHBondContact O-N 3.15Å
1351M65.1Low63.7Low100 Ų10088.8 Ų88.849%0.49347%0.467SS..Hα-helixtrans-65.1-39.7174-69.9-145-58.200111.9I1343 D1347 L1348 Y1355I1343-M1351 HydrophobicContact CD1-CE 3.97Å; D1347-M1351 WeakPolarHBondContact O-CG 3.49Å; D1347-M1351 PolarHBondContact O-N 3.11Å; L1348-M1351 PolarHBondContact O-N 3.16Å; M1351-Y1355 VanDerWaalsContact O-CB 3.22Å; M1351-Y1355 WeakPolarHBondContact O-CB 3.34Å; M1351-Y1355 PolarHBondContact O-N 3.41Å
1352C67.7Low62.8Low63 Ų6389 Ų8943%0.42648%0.48SS..Hα-helixtrans-64-43.3173.7-730000112.2L1348 S1349 Y1355 Q1356L1348-C1352 WeakPolarHBondContact O-CB 3.31Å; L1348-C1352 PolarHBondContact O-N 2.83Å; L1348-C1352 PolarHBondContact O-SG 2.73Å; S1349-C1352 PolarHBondContact O-N 2.72Å; C1352-Y1355 PolarHBondContact O-N 3.18Å; C1352-Q1356 WeakPolarHBondContact O-CG 3.36Å; C1352-Q1356 PolarHBondContact O-N 2.93Å
1353E60.8Low61.6Low130 Ų13094.3 Ų94.361%0.60750%0.496SS*.Hα-helixtrans-67.4-41.9177.8-171.2173.3-159.200111.5S1349 F1350 Y1355 Q1356 F1357S1349-E1353 WeakPolarHBondContact O-CB 3.4Å; S1349-E1353 PolarHBondContact O-N 3.38Å; F1350-E1353 PolarHBondContact O-N 3.31Å; E1353-Y1355 VanDerWaalsContact C-N 3.35Å; E1353-Y1355 PolarHBondContact O-N 3.43Å; E1353-Q1356 PolarHBondContact O-N 3.06Å; E1353-F1357 WeakPolarHBondContact O-CB 3.33Å; E1353-F1357 PolarHBondContact O-N 2.81Å
1354A61.8Low59.9Low38 Ų3895 Ų9531%0.31451%0.508SS..Hα-helixtrans-62.3-40.5173.200000112.1F1350 F1357 L1358F1350-A1354 VanDerWaalsContact O-CB 3.25Å; F1350-A1354 WeakPolarHBondContact O-CB 3.41Å; F1350-A1354 PolarHBondContact O-N 3.15Å; A1354-F1357 PolarHBondContact O-N 3.2Å; A1354-L1358 WeakPolarHBondContact O-CB 3.32Å; A1354-L1358 WeakPolarHBondContact O-CG 3.34Å; A1354-L1358 PolarHBondContact O-N 3.31Å
1355Y64.2Low58.6Low150 Ų15098.5 Ų98.559%0.58853%0.534SS*.Hα-helixtrans-64.7-44.9174.7179.8-107.4000112M1351 C1352 E1353 F1357 L1358 L1359M1351-Y1355 VanDerWaalsContact O-CB 3.22Å; M1351-Y1355 WeakPolarHBondContact O-CB 3.34Å; M1351-Y1355 PolarHBondContact O-N 3.41Å; C1352-Y1355 PolarHBondContact O-N 3.18Å; E1353-Y1355 VanDerWaalsContact C-N 3.35Å; E1353-Y1355 PolarHBondContact O-N 3.43Å; Y1355-F1357 PolarHBondContact O-N 3.44Å; Y1355-L1358 PolarHBondContact O-N 3.34Å; Y1355-L1359 HydrophobicContact CD1-CD1 3.88Å; Y1355-L1359 HydrophobicContact CE1-CD1 3.44Å; Y1355-L1359 VanDerWaalsContact CE1-CD1 3.44Å; Y1355-L1359 HydrophobicContact CE1-CG 4.3Å; Y1355-L1359 WeakPolarHBondContact O-CG 3.46Å; Y1355-L1359 PolarHBondContact O-N 3.42Å
1356Q64.7Low57Low134 Ų134101.9 Ų101.963%0.62654%0.54SS*.Hα-helixtrans-62.8-39.6173.7-74.5-1776.400112.3C1352 E1353 L1359 S1360C1352-Q1356 WeakPolarHBondContact O-CG 3.36Å; C1352-Q1356 PolarHBondContact O-N 2.93Å; E1353-Q1356 PolarHBondContact O-N 3.06Å; Q1356-L1359 PolarHBondContact O-N 3.49Å; Q1356-S1360 WeakPolarHBondContact O-CB 3.39Å; Q1356-S1360 PolarHBondContact O-N 3.05Å
1357F64.7Low55.4Low113 Ų113105.9 Ų105.950%0.49656%0.564SS.*Hα-helixtrans-64.3-42.7175.8-178.4-106000111.7E1353 A1354 Y1355 S1360 K1361E1353-F1357 WeakPolarHBondContact O-CB 3.33Å; E1353-F1357 PolarHBondContact O-N 2.81Å; A1354-F1357 PolarHBondContact O-N 3.2Å; Y1355-F1357 PolarHBondContact O-N 3.44Å; F1357-S1360 PolarHBondContact O-N 3.09Å; F1357-S1360 PolarHBondContact O-OG 3.27Å; F1357-K1361 HydrophobicContact CE1-CD 4.11Å; F1357-K1361 HydrophobicContact CZ-CD 4.31Å; F1357-K1361 VanDerWaalsContact CZ-CE 3.41Å; F1357-K1361 PolarHBondContact O-N 3.34Å
1358L62Low53.5Low109 Ų109112.6 Ų112.657%0.57160%0.598SS**Hα-helixtrans-60.9-46.5173.3-74.9166.9000111.9A1354 Y1355 S1360 K1361 C1362A1354-L1358 WeakPolarHBondContact O-CB 3.32Å; A1354-L1358 WeakPolarHBondContact O-CG 3.34Å; A1354-L1358 PolarHBondContact O-N 3.31Å; Y1355-L1358 PolarHBondContact O-N 3.34Å; L1358-S1360 VanDerWaalsContact C-N 3.34Å; L1358-S1360 PolarHBondContact O-N 3.47Å; L1358-K1361 PolarHBondContact O-N 2.65Å; L1358-C1362 PolarHBondContact O-N 2.99Å; L1358-C1362 PolarHBondContact O-SG 3.4Å
1359L64.3Low51.6Low71 Ų71115.1 Ų115.137%0.37261%0.612SS.*Hα-helixtrans-56.9-45.3174-75.7172000112.1Y1355 Q1356 K1361 C1362Y1355-L1359 HydrophobicContact CD1-CD1 3.88Å; Y1355-L1359 HydrophobicContact CE1-CD1 3.44Å; Y1355-L1359 VanDerWaalsContact CE1-CD1 3.44Å; Y1355-L1359 HydrophobicContact CE1-CG 4.3Å; Y1355-L1359 WeakPolarHBondContact O-CG 3.46Å; Y1355-L1359 PolarHBondContact O-N 3.42Å; Q1356-L1359 PolarHBondContact O-N 3.49Å; L1359-K1361 VanDerWaalsContact C-N 3.28Å; L1359-K1361 PolarHBondContact O-N 3.35Å; L1359-C1362 PolarHBondContact O-N 3.04Å
1360S59.6Low50Low73 Ų73116.6 Ų116.651%0.5162%0.622SS.*Hα-helixtrans-60-34.9179.7780000113.3Q1356 F1357 L1358 C1362 H1363Q1356-S1360 WeakPolarHBondContact O-CB 3.39Å; Q1356-S1360 PolarHBondContact O-N 3.05Å; F1357-S1360 PolarHBondContact O-N 3.09Å; F1357-S1360 PolarHBondContact O-OG 3.27Å; L1358-S1360 VanDerWaalsContact C-N 3.34Å; L1358-S1360 PolarHBondContact O-N 3.47Å; S1360-C1362 VanDerWaalsContact C-N 3.32Å; S1360-H1363 PolarHBondContact O-N 3.19Å
1361K62.9Low48.4Very low127 Ų127119 Ų11955%0.55264%0.635SS**Hα-helixtrans-73.5-22.4175.8-81.5-173.3173.1176.80113.5F1357 L1358 L1359 H1363F1357-K1361 HydrophobicContact CE1-CD 4.11Å; F1357-K1361 HydrophobicContact CZ-CD 4.31Å; F1357-K1361 VanDerWaalsContact CZ-CE 3.41Å; F1357-K1361 PolarHBondContact O-N 3.34Å; L1358-K1361 PolarHBondContact O-N 2.65Å; L1359-K1361 VanDerWaalsContact C-N 3.28Å; L1359-K1361 PolarHBondContact O-N 3.35Å; K1361-H1363 VanDerWaalsContact C-N 3.31Å
1362C42.9Very low46.5Very low100 Ų100122.8 Ų122.868%0.67665%0.651SS**THydrogen-bonded Turntrans-87.77178-67.80000113.5L1358 L1359 S1360L1358-C1362 PolarHBondContact O-N 2.99Å; L1358-C1362 PolarHBondContact O-SG 3.4Å; L1359-C1362 PolarHBondContact O-N 3.04Å; S1360-C1362 VanDerWaalsContact C-N 3.32Å
1363H36.9Very low44.7Very low144 Ų144126.3 Ų126.367%0.66767%0.666SS**  trans-117.874.8-179.2-72.33.6000112.5S1360 K1361 P1365S1360-H1363 PolarHBondContact O-N 3.19Å; K1361-H1363 VanDerWaalsContact C-N 3.31Å; H1363-P1365 WeakPolarHBondContact O-CD 3.28Å
1364S33.9Very low43.3Very low106 Ų106125.6 Ų125.674%0.74168%0.676SS**  trans-11090159.363.40000110.2L1366S1364-L1366 VanDerWaalsContact C-N 3.32Å; S1364-L1366 PolarHBondContact O-N 2.77Å; S1364-L1366 VanDerWaalsContact O-N 3.08Å
1365P31.8Very low41.9Very low122 Ų122132 Ų13279%0.79270%0.696SS**  trans-87.963.8-173.636.2-36.4000112.2H1363H1363-P1365 WeakPolarHBondContact O-CD 3.28Å
1366L32.5Very low40.1Very low154 Ų154133.3 Ų133.381%0.80671%0.708SS**  trans-135.8155.5169.1-69.3174.1000109S1364S1364-L1366 VanDerWaalsContact C-N 3.32Å; S1364-L1366 PolarHBondContact O-N 2.77Å; S1364-L1366 VanDerWaalsContact O-N 3.08Å
1367D29Very low38.4Very low162 Ų162133.2 Ų133.287%0.86671%0.711SS**  trans76.144.1-177.4-52.3-20000116.7
1368I26.7Very low36.8Very low168 Ų168133.1 Ų133.186%0.86272%0.716SS**  trans-93.884.1151.1-57.2176.1000108.2
1369N28.3Very low35.2Very low151 Ų151137.8 Ų137.881%0.80773%0.728SS**  trans-149.7124.9161.5-103.2-33.3000109.7
1370S27Very low33.5Very low104 Ų104144.5 Ų144.573%0.72775%0.749SS**SBendtrans44.290.416759.60000117.2
1371H28.9Very low32.1Very low181 Ų181145.3 Ų145.384%0.83875%0.747SS**  -169.7129.2106.4-110.4-77.4000112.2N1373H1371-N1373 PolarHBondContact O-N 3.48Å
1372E26.8Very low30.6Very low179 Ų179145.7 Ų145.784%0.83676%0.755SS**  trans-62.9119.3160.4-59.9-179.114400108.8
1373N29.4Very low30Very low136 Ų136144 Ų14473%0.72775%0.748SS**  trans178.283150.8-93.2-39.5000112.3H1371 K1375H1371-N1373 PolarHBondContact O-N 3.48Å; N1373-K1375 PolarHBondContact O-N 2.75Å
1374S30.2Very low29.9Very low116 Ų116144.6 Ų144.681%0.81175%0.748SS**SBendtrans44.435.7130.9600000121.2
1375K32.6Very low30.2Very low173 Ų173146.2 Ų146.275%0.75275%0.753SS**  trans-139.328.2170.4-73.3-163.2175.9-178.70116.5N1373 D1377N1373-K1375 PolarHBondContact O-N 2.75Å; K1375-D1377 PolarHBondContact O-N 2.89Å
1376Q27.1Very low30.7Very low176 Ų176144.8 Ų144.882%0.82274%0.738SS**THydrogen-bonded Turntrans-78.9-9.9-177.2-137.469.61.700115.2N1378Q1376-N1378 VanDerWaalsContact C-N 3.3Å; Q1376-N1378 PolarHBondContact O-N 2.95Å
1377D29.4Very low31.2Very low132 Ų132139.6 Ų139.671%0.70671%0.711SS**THydrogen-bonded Turntrans-75.2-9.9-173.8-65.3-24000115.1K1375 Y1379 M1381K1375-D1377 PolarHBondContact O-N 2.89Å; D1377-Y1379 PolarHBondContact O-N 3.06Å; D1377-M1381 WeakPolarHBondContact O-CG 3.36Å
1378N31Very low32.3Very low112 Ų112136.3 Ų136.360%0.59970%0.699SS**Hα-helixtrans-78.8-15.3-169.8-88.6-7.5000115.7Q1376Q1376-N1378 VanDerWaalsContact C-N 3.3Å; Q1376-N1378 PolarHBondContact O-N 2.95Å
1379Y27.6Very low33.3Very low207 Ų207134.1 Ų134.181%0.81268%0.68SS**Hα-helixtrans-83.6-31.8178-97.8-81.7000113.8D1377 M1381D1377-Y1379 PolarHBondContact O-N 3.06Å; Y1379-M1381 VanDerWaalsContact C-N 3.29Å; Y1379-M1381 PolarHBondContact O-N 2.83Å
1380Y28.4Very low34.1Very low211 Ų211129.1 Ų129.183%0.82766%0.655SS**Hα-helixtrans-73.9-20.2173.5-88-81.5000113.2
1381M30.2Very low35.2Very low91 Ų91126.7 Ų126.745%0.44864%0.635SS.*Hα-helixtrans-82.5-22.4179.9-66.5-65.3165.300113.9D1377 Y1379 A1383 K1384D1377-M1381 WeakPolarHBondContact O-CG 3.36Å; Y1379-M1381 VanDerWaalsContact C-N 3.29Å; Y1379-M1381 PolarHBondContact O-N 2.83Å; M1381-A1383 PolarHBondContact O-N 3.08Å; M1381-K1384 WeakPolarHBondContact O-CB 3.37Å; M1381-K1384 WeakPolarHBondContact O-CG 3.45Å; M1381-K1384 PolarHBondContact O-N 3.33Å; M1381-K1384 VanDerWaalsContact O-N 3.07Å; M1381-K1384 HydrophobicContact SD-CD 3.69Å; M1381-K1384 WeakPolarHBondContact SD-CE 3.39Å; M1381-K1384 HydrophobicContact SD-CG 4.45Å; M1381-K1384 PolarHBondContact SD-NZ 3.29Å
1382N33.1Very low36Very low135 Ų135122.4 Ų122.472%0.72262%0.619SS**THydrogen-bonded Turntrans-75-8.1177-74.7-13.5000113.6
1383A30.3Very low37.1Very low65 Ų65115.8 Ų115.854%0.53759%0.588SS.*THydrogen-bonded Turntrans-80.22166.200000113.4M1381 V1385 I1386M1381-A1383 PolarHBondContact O-N 3.08Å; A1383-V1385 PolarHBondContact O-N 2.83Å; A1383-V1385 VanDerWaalsContact O-N 3.1Å; A1383-I1386 PolarHBondContact O-N 2.66Å
1384K34.3Very low37.8Very low155 Ų155113.6 Ų113.667%0.67458%0.576SS**  trans-73.79.4-178.7-79-173.9159.9174.90116.2M1381 I1386M1381-K1384 WeakPolarHBondContact O-CB 3.37Å; M1381-K1384 WeakPolarHBondContact O-CG 3.45Å; M1381-K1384 PolarHBondContact O-N 3.33Å; M1381-K1384 VanDerWaalsContact O-N 3.07Å; M1381-K1384 HydrophobicContact SD-CD 3.69Å; M1381-K1384 WeakPolarHBondContact SD-CE 3.39Å; M1381-K1384 HydrophobicContact SD-CG 4.45Å; M1381-K1384 PolarHBondContact SD-NZ 3.29Å; K1384-I1386 VanDerWaalsContact C-N 3.31Å
1385V40.4Very low38.6Very low140 Ų140113.6 Ų113.685%0.84857%0.567SS**  trans-101.147.3165-159.80000110A1383A1383-V1385 PolarHBondContact O-N 2.83Å; A1383-V1385 VanDerWaalsContact O-N 3.1Å
1386I41.2Very low39.4Very low92 Ų92111.1 Ų111.147%0.47256%0.561SS.*SBendtrans-74.4115.7148.9-56.8171.4000104.3A1383 K1384 V1390 V1391A1383-I1386 PolarHBondContact O-N 2.66Å; K1384-I1386 VanDerWaalsContact C-N 3.31Å; I1386-V1390 HydrophobicContact CG2-CB 3.78Å; I1386-V1390 HydrophobicContact CG2-CG1 3.66Å; I1386-V1391 HydrophobicContact CB-CG2 3.96Å; I1386-V1391 HydrophobicContact CG2-CG2 3.54Å
1387D44.4Very low40Very low45 Ų45105 Ų10524%0.24154%0.538CS..  trans-47.9128.4175.7179.8-18.8000108.6R1389 V1390 V1391D1387-R1389 CarbonylContact O-C 3.52Å; D1387-R1389 PolarHBondContact O-N 2.71Å; D1387-R1389 VanDerWaalsContact OD1-CB 3.25Å; D1387-R1389 WeakPolarHBondContact OD1-CB 3.45Å; D1387-R1389 VanDerWaalsContact OD1-CG 3.25Å; D1387-R1389 WeakPolarHBondContact OD1-CG 3.38Å; D1387-R1389 PolarHBondContact OD1-N 3.41Å; D1387-R1389 WeakPolarHBondContact OD2-CD 3.25Å; D1387-R1389 IonicContact OD2-NH1 3.19Å; D1387-V1390 HydrophobicContact CB-CB 4.44Å; D1387-V1390 HydrophobicContact CB-CG2 4.13Å; D1387-V1390 WeakPolarHBondContact O-CA 3.37Å; D1387-V1390 WeakPolarHBondContact O-CB 3.44Å; D1387-V1390 PolarHBondContact O-N 2.99Å; D1387-V1391 PolarHBondContact O-N 2.62Å
1388P51.7Low40.5Very low93 Ų93105.5 Ų105.560%0.60454%0.536SS*.Hα-helixtrans-55.1-21.3177.121.8-33.7000112.8N1392P1388-N1392 VanDerWaalsContact O-CB 3.31Å; P1388-N1392 WeakPolarHBondContact O-CB 3.48Å; P1388-N1392 PolarHBondContact O-N 2.66Å; P1388-N1392 PolarHBondContact O-ND2 3.11Å
1389R47.9Very low40.4Very low123 Ų123109.8 Ų109.846%0.46454%0.544SS..Hα-helixtrans-62.3-50166.1-61.3169.3-179.9173.5-21.2111.7D1332 D1387 N1392 I1393D1332-R1389 IonicContact OD1-CZ 3.04Å; D1332-R1389 VanDerWaalsContact OD1-CZ 3.3Å; D1332-R1389 IonicContact OD1-NH1 2.84Å; D1332-R1389 PolarHBondContact OD1-NH1 2.87Å; D1332-R1389 IonicContact OD1-NH2 2.99Å; D1332-R1389 PolarHBondContact OD1-NH2 2.86Å; D1332-R1389 IonicContact OD2-NH2 3.8Å; D1387-R1389 CarbonylContact O-C 3.52Å; D1387-R1389 PolarHBondContact O-N 2.71Å; D1387-R1389 VanDerWaalsContact OD1-CB 3.25Å; D1387-R1389 WeakPolarHBondContact OD1-CB 3.45Å; D1387-R1389 VanDerWaalsContact OD1-CG 3.25Å; D1387-R1389 WeakPolarHBondContact OD1-CG 3.38Å; D1387-R1389 PolarHBondContact OD1-N 3.41Å; D1387-R1389 WeakPolarHBondContact OD2-CD 3.25Å; D1387-R1389 IonicContact OD2-NH1 3.19Å; R1389-N1392 CarbonylContact O-C 3.59Å; R1389-N1392 WeakPolarHBondContact O-CA 3.42Å; R1389-N1392 WeakPolarHBondContact O-CB 3.31Å; R1389-N1392 PolarHBondContact O-N 2.86Å; R1389-N1392 VanDerWaalsContact O-N 3.08Å; R1389-I1393 WeakPolarHBondContact O-CG1 3.3Å; R1389-I1393 PolarHBondContact O-N 3.37Å
1390V44.4Very low40.6Very low46 Ų46105.3 Ų105.328%0.27954%0.537SS..Hα-helixtrans-61.6-41.3176.31760000111.4L1335 I1386 D1387 N1392 I1393 I1394L1335-V1390 HydrophobicContact CD2-CG2 3.95Å; I1386-V1390 HydrophobicContact CG2-CB 3.78Å; I1386-V1390 HydrophobicContact CG2-CG1 3.66Å; D1387-V1390 HydrophobicContact CB-CB 4.44Å; D1387-V1390 HydrophobicContact CB-CG2 4.13Å; D1387-V1390 WeakPolarHBondContact O-CA 3.37Å; D1387-V1390 WeakPolarHBondContact O-CB 3.44Å; D1387-V1390 PolarHBondContact O-N 2.99Å; V1390-N1392 VanDerWaalsContact C-N 3.32Å; V1390-N1392 PolarHBondContact O-N 2.81Å; V1390-I1393 WeakPolarHBondContact O-CB 3.42Å; V1390-I1393 PolarHBondContact O-N 3.46Å; V1390-I1393 VanDerWaalsContact O-N 3.09Å; V1390-I1394 HydrophobicContact CG1-CD1 4.26Å; V1390-I1394 WeakPolarHBondContact O-CG1 3.35Å; V1390-I1394 PolarHBondContact O-N 2.78Å
1391V51.1Low40.8Very low53 Ų53103.8 Ų103.832%0.32154%0.538SS..Hα-helixtrans-60.1-43.5171-179.10000110.7I1386 D1387 I1393 I1394 N1395I1386-V1391 HydrophobicContact CB-CG2 3.96Å; I1386-V1391 HydrophobicContact CG2-CG2 3.54Å; D1387-V1391 PolarHBondContact O-N 2.62Å; V1391-I1393 VanDerWaalsContact C-N 3.33Å; V1391-I1393 PolarHBondContact O-N 3.38Å; V1391-I1394 PolarHBondContact O-N 2.85Å; V1391-N1395 WeakPolarHBondContact O-CB 3.48Å; V1391-N1395 PolarHBondContact O-N 3.07Å; V1391-N1395 PolarHBondContact O-ND2 3.35Å; V1391-N1395 PolarHBondContact O-OD1 3.35Å
1392N45.6Very low40.5Very low91 Ų91107.1 Ų107.149%0.48755%0.552SS.*Hα-helixtrans-64.8-32.3173.1-72.6-15.7000112.5P1388 R1389 V1390 N1395 L1396P1388-N1392 VanDerWaalsContact O-CB 3.31Å; P1388-N1392 WeakPolarHBondContact O-CB 3.48Å; P1388-N1392 PolarHBondContact O-N 2.66Å; P1388-N1392 PolarHBondContact O-ND2 3.11Å; R1389-N1392 CarbonylContact O-C 3.59Å; R1389-N1392 WeakPolarHBondContact O-CA 3.42Å; R1389-N1392 WeakPolarHBondContact O-CB 3.31Å; R1389-N1392 PolarHBondContact O-N 2.86Å; R1389-N1392 VanDerWaalsContact O-N 3.08Å; V1390-N1392 VanDerWaalsContact C-N 3.32Å; V1390-N1392 PolarHBondContact O-N 2.81Å; N1392-N1395 PolarHBondContact O-N 3.46Å; N1392-L1396 HydrophobicContact CB-CD1 4.49Å; N1392-L1396 WeakPolarHBondContact O-CB 3.48Å; N1392-L1396 WeakPolarHBondContact O-CD1 3.49Å; N1392-L1396 WeakPolarHBondContact O-CG 3.32Å; N1392-L1396 PolarHBondContact O-N 3.08Å
1393I48.4Very low40.5Very low39 Ų39105.2 Ų105.220%0.255%0.547CS..Hα-helixtrans-64.2-46.8171.4-44.4-169.3000109.9L1335 F1339 R1389 V1390 V1391 N1395 L1396 S1397L1335-I1393 HydrophobicContact CD2-CD1 4.17Å; F1339-I1393 HydrophobicContact CD2-CD1 4.07Å; F1339-I1393 HydrophobicContact CE1-CB 4.48Å; F1339-I1393 HydrophobicContact CE1-CD1 3.99Å; F1339-I1393 HydrophobicContact CE1-CG1 3.86Å; F1339-I1393 HydrophobicContact CE1-CG2 4.13Å; F1339-I1393 HydrophobicContact CE2-CD1 3.46Å; F1339-I1393 VanDerWaalsContact CE2-CD1 3.46Å; F1339-I1393 HydrophobicContact CE2-CG1 3.89Å; F1339-I1393 HydrophobicContact CZ-CB 4.41Å; F1339-I1393 HydrophobicContact CZ-CD1 3.47Å; F1339-I1393 VanDerWaalsContact CZ-CD1 3.47Å; F1339-I1393 HydrophobicContact CZ-CG1 3.37Å; F1339-I1393 HydrophobicContact CZ-CG2 4.49Å; R1389-I1393 WeakPolarHBondContact O-CG1 3.3Å; R1389-I1393 PolarHBondContact O-N 3.37Å; V1390-I1393 WeakPolarHBondContact O-CB 3.42Å; V1390-I1393 PolarHBondContact O-N 3.46Å; V1390-I1393 VanDerWaalsContact O-N 3.09Å; V1391-I1393 VanDerWaalsContact C-N 3.33Å; V1391-I1393 PolarHBondContact O-N 3.38Å; I1393-N1395 VanDerWaalsContact C-N 3.31Å; I1393-N1395 PolarHBondContact O-N 3.48Å; I1393-L1396 PolarHBondContact O-N 3.11Å; I1393-S1397 WeakPolarHBondContact O-CA 3.49Å; I1393-S1397 WeakPolarHBondContact O-CB 3.36Å; I1393-S1397 PolarHBondContact O-N 3.24Å; I1393-S1397 PolarHBondContact O-OG 3.47Å
1394I44.8Very low40.7Very low90 Ų90108.6 Ų108.646%0.46256%0.564SS.*Hα-helixtrans-60.9-43.9179.6-66165.1000110V1390 V1391 S1397V1390-I1394 HydrophobicContact CG1-CD1 4.26Å; V1390-I1394 WeakPolarHBondContact O-CG1 3.35Å; V1390-I1394 PolarHBondContact O-N 2.78Å; V1391-I1394 PolarHBondContact O-N 2.85Å; I1394-S1397 WeakPolarHBondContact CA-OG 3.15Å; I1394-S1397 VanDerWaalsContact O-O 3.06Å; I1394-S1397 PolarHBondContact O-OG 3.27Å
1395N46Very low40.7Very low116 Ų116106.2 Ų106.262%0.6256%0.562SS**Hα-helixtrans-74.3-27-179.8-63.6-10.7000114.1V1391 N1392 I1393V1391-N1395 WeakPolarHBondContact O-CB 3.48Å; V1391-N1395 PolarHBondContact O-N 3.07Å; V1391-N1395 PolarHBondContact O-ND2 3.35Å; V1391-N1395 PolarHBondContact O-OD1 3.35Å; N1392-N1395 PolarHBondContact O-N 3.46Å; I1393-N1395 VanDerWaalsContact C-N 3.31Å; I1393-N1395 PolarHBondContact O-N 3.48Å
1396L49.9Very low40.5Very low121 Ų121107.4 Ų107.463%0.63456%0.563SS**Hα-helixtrans-87.6-28.5174.6-71.1168.1000112.1N1392 I1393 H1398N1392-L1396 HydrophobicContact CB-CD1 4.49Å; N1392-L1396 WeakPolarHBondContact O-CB 3.48Å; N1392-L1396 WeakPolarHBondContact O-CD1 3.49Å; N1392-L1396 WeakPolarHBondContact O-CG 3.32Å; N1392-L1396 PolarHBondContact O-N 3.08Å; I1393-L1396 PolarHBondContact O-N 3.11Å; L1396-H1398 PolarHBondContact O-N 3.33Å; L1396-H1398 VanDerWaalsContact O-N 3.1Å; L1396-H1398 PolarHBondContact O-ND1 3.26Å
1397S41Very low40Very low48 Ų48107.5 Ų107.534%0.33658%0.577SS.*SBendtrans-63.7113.1169.272.70000106.7I1393 I1394 W1399I1393-S1397 WeakPolarHBondContact O-CA 3.49Å; I1393-S1397 WeakPolarHBondContact O-CB 3.36Å; I1393-S1397 PolarHBondContact O-N 3.24Å; I1393-S1397 PolarHBondContact O-OG 3.47Å; I1394-S1397 WeakPolarHBondContact CA-OG 3.15Å; I1394-S1397 VanDerWaalsContact O-O 3.06Å; I1394-S1397 PolarHBondContact O-OG 3.27Å; S1397-W1399 PolarHBondContact O-N 3.41Å; S1397-W1399 VanDerWaalsContact OG-CD1 3.26Å; S1397-W1399 PolarHBondContact OG-NE1 2.93Å
1398H38.3Very low39.4Very low143 Ų143109.7 Ų109.766%0.66260%0.602SS**  trans-73.179.4-179.3-78.351.9000109.3H530 L1396 V1400H530-H1398 AromaticContact NE2-NE2 3.86Å; L1396-H1398 PolarHBondContact O-N 3.33Å; L1396-H1398 VanDerWaalsContact O-N 3.1Å; L1396-H1398 PolarHBondContact O-ND1 3.26Å; H1398-V1400 PolarHBondContact O-N 3.29Å; H1398-V1400 VanDerWaalsContact O-N 3.15Å
1399W29.7Very low38.6Very low202 Ų202112.6 Ų112.677%0.76561%0.612SS**  trans-57.7113.9149.4-6972.9000105.5S1397 E1401S1397-W1399 PolarHBondContact O-N 3.41Å; S1397-W1399 VanDerWaalsContact OG-CD1 3.26Å; S1397-W1399 PolarHBondContact OG-NE1 2.93Å; W1399-E1401 PolarHBondContact O-N 3.45Å
1400V32.1Very low37.9Very low113 Ų113112.3 Ų112.369%0.68563%0.626SS**  trans-71.482.9172.2179.70000106.5H1398 H1402H1398-V1400 PolarHBondContact O-N 3.29Å; H1398-V1400 VanDerWaalsContact O-N 3.15Å; V1400-H1402 PolarHBondContact O-N 2.64Å
1401E32.1Very low37.5Very low178 Ų178117.6 Ų117.683%0.83265%0.651SS**  trans-62.7104.6168.4-70.5-163.5158.900107.5W1399W1399-E1401 PolarHBondContact O-N 3.45Å
1402H24.5Very low36.7Very low161 Ų161121.1 Ų121.175%0.74567%0.673SS**  trans-60.2131.6171.2-70.1-68.9000108.5V1400V1400-H1402 PolarHBondContact O-N 2.64Å
1403P33.4Very low36.1Very low95 Ų95122 Ų12262%0.61768%0.682SS**  trans-59.8139.9-17424.2-34.4000110.4T1405P1403-T1405 PolarHBondContact O-N 3.17Å
1404P34.4Very low35.8Very low137 Ų137122.6 Ų122.689%0.8969%0.687SS**SBendtrans-73.274.9-173.430.3-36.4000111.8
1405T32.8Very low35.6Very low105 Ų105121.2 Ų121.264%0.64468%0.683SS**  trans-144.7140.2169.353.30000108.4P1403P1403-T1405 PolarHBondContact O-N 3.17Å
1406L37Very low35.7Very low164 Ų164120.8 Ų120.886%0.85968%0.677SS**  trans87.75.3176.7-49.6175.7000118.6A1408L1406-A1408 PolarHBondContact O-N 3.13Å
1407A30.1Very low35.4Very low94 Ų94119 Ų11978%0.77767%0.671SS**SBendtrans-72.9106.1141.800000106.3D1409A1407-D1409 PolarHBondContact O-N 2.84Å
1408A32.6Very low35.9Very low91 Ų91119.4 Ų119.475%0.75267%0.669SS**PPolyproline II helixtrans-62.5131.6174.600000108.8L1406L1406-A1408 PolarHBondContact O-N 3.13Å
1409D33.6Very low36.7Very low155 Ų155120.7 Ų120.783%0.82968%0.681SS**PPolyproline II helixtrans-50.9131.6177.4-71.3-44.5000109.6A1407 I1411A1407-D1409 PolarHBondContact O-N 2.84Å; D1409-I1411 PolarHBondContact O-N 3.31Å
1410P34Very low38.1Very low116 Ų116117.4 Ų117.475%0.75368%0.678SS**PPolyproline II helixtrans-59.4131.8-168.622.6-33.2000110.3T1412P1410-T1412 PolarHBondContact O-N 3.26Å
1411I35.2Very low38.4Very low157 Ų157114.8 Ų114.881%0.80567%0.674SS**PPolyproline II helixtrans-50119.1-178.1-64.3173.8000108.6D1409 V1413D1409-I1411 PolarHBondContact O-N 3.31Å; I1411-V1413 PolarHBondContact O-N 3.05Å
1412T34.5Very low39Very low127 Ų127112.5 Ų112.578%0.77966%0.663SS**  trans-70.391.8-175.510.60000109.5P1410 T1414P1410-T1412 PolarHBondContact O-N 3.26Å; T1412-T1414 WeakPolarHBondContact O-CG2 3.41Å; T1412-T1414 PolarHBondContact O-N 3.32Å
1413V33.2Very low39.3Very low110 Ų110110.7 Ų110.767%0.66766%0.659SS**  trans-69.494.2174.8-177.40000108.1I1411 T1415I1411-V1413 PolarHBondContact O-N 3.05Å; V1413-T1415 PolarHBondContact O-N 2.83Å
1414T41.8Very low40.1Very low51 Ų51109.3 Ų109.331%0.31365%0.648SS.*  trans-73.88.3-175.570.90000114.1T1412 N1425 S1426T1412-T1414 WeakPolarHBondContact O-CG2 3.41Å; T1412-T1414 PolarHBondContact O-N 3.32Å; T1414-N1425 CarbonylContact O-C 3.5Å; T1414-N1425 WeakPolarHBondContact O-CA 3.4Å; T1414-N1425 PolarHBondContact O-OD1 3.27Å; T1414-N1425 VanDerWaalsContact O-OD1 3.12Å; T1414-N1425 PolarHBondContact OG1-OD1 2.85Å; T1414-S1426 PolarHBondContact O-N 2.88Å; T1414-S1426 PolarHBondContact O-OG 3.19Å
1415T40.3Very low40.3Very low62 Ų62107.2 Ų107.238%0.3863%0.63SS.*EExtended strand (participates in β ladder)trans-124.4107.2-176.551.60000109.5V1413 N1425V1413-T1415 PolarHBondContact O-N 2.83Å; T1415-N1425 HydrophobicContact CG2-CB 4.06Å
1416H49.5Very low40.8Very low106 Ų106105.4 Ų105.449%0.49162%0.622SS.*EExtended strand (participates in β ladder)trans-109.7148171.959.2-91.3000110V1424 S1426H1416-V1424 PolarHBondContact N-O 3.14Å; H1416-V1424 PolarHBondContact O-N 3.03Å; H1416-S1426 PolarHBondContact CE1-OG 3.25Å; H1416-S1426 VanDerWaalsContact CE1-OG 3.22Å; H1416-S1426 PolarHBondContact ND1-OG 3.33Å
1417V43.2Very low40.7Very low85 Ų85106.9 Ų106.952%0.51562%0.615SS.*EExtended strand (participates in β ladder)trans-81.8122.1172.2-169.10000107G1421 H1422 L1423V1417-G1421 VanDerWaalsContact CG1-CA 3.49Å; V1417-H1422 WeakPolarHBondContact CA-O 3.37Å; V1417-L1423 HydrophobicContact CG2-CD2 3.56Å; V1417-L1423 HydrophobicContact CG2-CG 4.02Å
1418N50.6Low40.7Very low56 Ų56109.8 Ų109.830%0.29962%0.618SS.*  trans-72.5170.1173.469.318.1000111N1420 G1421 H1422N1418-N1420 PolarHBondContact O-N 3.11Å; N1418-N1420 WeakPolarHBondContact OD1-CA 3.34Å; N1418-N1420 WeakPolarHBondContact OD1-CB 3.08Å; N1418-N1420 PolarHBondContact OD1-N 3.03Å; N1418-N1420 VanDerWaalsContact OD1-N 3.1Å; N1418-G1421 PolarHBondContact O-N 3.41Å; N1418-G1421 PolarHBondContact OD1-N 3.01Å; N1418-H1422 PolarHBondContact N-O 3.22Å; N1418-H1422 PolarHBondContact OD1-N 2.88Å; N1418-H1422 VanDerWaalsContact OD1-N 3.08Å; N1418-H1422 PolarHBondContact OD1-O 3.22Å
1419N55.7Low40.6Very low170 Ų170112.9 Ų112.991%0.90962%0.621SS**THydrogen-bonded Turntrans-60.3-10.1-177.8-613000114.2
1420N60.5Low40.2Very low132 Ų132118.6 Ų118.671%0.70663%0.631SS**THydrogen-bonded Turntrans-98.513176.8-59.220.1000112N1418 H1422N1418-N1420 PolarHBondContact O-N 3.11Å; N1418-N1420 WeakPolarHBondContact OD1-CA 3.34Å; N1418-N1420 WeakPolarHBondContact OD1-CB 3.08Å; N1418-N1420 PolarHBondContact OD1-N 3.03Å; N1418-N1420 VanDerWaalsContact OD1-N 3.1Å; N1420-H1422 VanDerWaalsContact C-N 3.32Å; N1420-H1422 PolarHBondContact O-N 3.1Å; N1420-H1422 PolarHBondContact O-ND1 3.25Å
1421G38.4Very low39.8Very low58 Ų58118.3 Ų118.360%0.59863%0.632SS**SBendtrans77.49.4177.600000115.3V1417 N1418V1417-G1421 VanDerWaalsContact CG1-CA 3.49Å; N1418-G1421 PolarHBondContact O-N 3.41Å; N1418-G1421 PolarHBondContact OD1-N 3.01Å
1422H43.6Very low39.4Very low130 Ų130114.3 Ų114.360%0.60263%0.629SS**  trans-105.2130.7-175.9-70.472.4000112.1V1417 N1418 N1420 V1424V1417-H1422 WeakPolarHBondContact CA-O 3.37Å; N1418-H1422 PolarHBondContact N-O 3.22Å; N1418-H1422 PolarHBondContact OD1-N 2.88Å; N1418-H1422 VanDerWaalsContact OD1-N 3.08Å; N1418-H1422 PolarHBondContact OD1-O 3.22Å; N1420-H1422 VanDerWaalsContact C-N 3.32Å; N1420-H1422 PolarHBondContact O-N 3.1Å; N1420-H1422 PolarHBondContact O-ND1 3.25Å; H1422-V1424 PolarHBondContact O-N 2.84Å
1423L30.3Very low38.7Very low123 Ų123120 Ų12064%0.64464%0.637SS**EExtended strand (participates in β ladder)trans-70.2118.3175.2-77.7162.6000110.9V1417V1417-L1423 HydrophobicContact CG2-CD2 3.56Å; V1417-L1423 HydrophobicContact CG2-CG 4.02Å
1424V50.4Low38.4Very low67 Ų67123.9 Ų123.941%0.40665%0.648SS.*EExtended strand (participates in β ladder)trans-115.7128.3175.7-174.50000109.7H1416 H1422H1416-V1424 PolarHBondContact N-O 3.14Å; H1416-V1424 PolarHBondContact O-N 3.03Å; H1422-V1424 PolarHBondContact O-N 2.84Å
1425N38.6Very low37.5Very low92 Ų92130.7 Ų130.749%0.49267%0.673SS.*EExtended strand (participates in β ladder)trans-94.4119.4-177.7-169.4-5.9000110.5T1414 T1415 R1427T1414-N1425 CarbonylContact O-C 3.5Å; T1414-N1425 WeakPolarHBondContact O-CA 3.4Å; T1414-N1425 PolarHBondContact O-OD1 3.27Å; T1414-N1425 VanDerWaalsContact O-OD1 3.12Å; T1414-N1425 PolarHBondContact OG1-OD1 2.85Å; T1415-N1425 HydrophobicContact CG2-CB 4.06Å; N1425-R1427 VanDerWaalsContact C-N 3.28Å; N1425-R1427 PolarHBondContact O-N 3.36Å; N1425-R1427 VanDerWaalsContact O-N 3.13Å
1426S43.8Very low37.2Very low68 Ų68133.7 Ų133.748%0.47669%0.693SS.*  trans-82.913.8-161.6-410000115.9T1414 H1416 N1428T1414-S1426 PolarHBondContact O-N 2.88Å; T1414-S1426 PolarHBondContact O-OG 3.19Å; H1416-S1426 PolarHBondContact CE1-OG 3.25Å; H1416-S1426 VanDerWaalsContact CE1-OG 3.22Å; H1416-S1426 PolarHBondContact ND1-OG 3.33Å; S1426-N1428 VanDerWaalsContact C-N 3.32Å; S1426-N1428 PolarHBondContact O-N 2.88Å
1427R34.5Very low35.9Very low194 Ų194138 Ų13873%0.73271%0.714SS**  trans-79.970.5179.8-65.7-171.6-172.5175.92.1112.4N1425N1425-R1427 VanDerWaalsContact C-N 3.28Å; N1425-R1427 PolarHBondContact O-N 3.36Å; N1425-R1427 VanDerWaalsContact O-N 3.13Å
1428N30.2Very low34.7Very low156 Ų156145 Ų14583%0.83473%0.731SS**SBendtrans-17257.6162.5-96.1-22.4000112.9S1426S1426-N1428 VanDerWaalsContact C-N 3.32Å; S1426-N1428 PolarHBondContact O-N 2.88Å
1429L30.6Very low33.5Very low156 Ų156151.8 Ų151.882%0.81776%0.761SS**  trans-15732.9163.6-142.678.5000116.9
1430W25.4Very low31.7Very low274 Ų274155.2 Ų155.2100%1.03876%0.761SS**  trans-108.384.8169.5-76.40.7000110.9
1431S25.7Very low29.9Very low111 Ų111158.8 Ų158.878%0.77677%0.766SS**  trans-144.9120.6172.760.10000111.7
1432G26.1Very low29.2Very low72 Ų72162.5 Ų162.574%0.74277%0.768SS**  trans85.4103.9174.600000113.1
1433R20.3Very low28.2Very low247 Ų247161.2 Ų161.293%0.93277%0.766SS**  41.1118.275.9-75.3-169.3174.5-156.61.1113.7
1434Q26.3Very low28Very low192 Ų192163 Ų16390%0.89777%0.768SS**  -162.5158.5114.6-91.8-73.10.500108.5
1435K23Very low26.7Very low194 Ų194166.7 Ų166.784%0.84379%0.785SS**  trans-96.9169.2-176.1-104.7-178.5175.7-1770111.4
1436P34Very low25.9Very low125 Ų125169.5 Ų169.581%0.81280%0.799SS**  trans-91.3155.7-166.336.2-35.9000113.8
1437E23.6Very low24.9Very low197 Ų197171.4 Ų171.492%0.92181%0.811SS**  trans-141.4157.5161.8-164.4154.1-152.200112.3
1438R17.7Very low24.3Very low230 Ų230167.1 Ų167.187%0.86881%0.811SS**  trans-87.3150.2-166.7-60.9161.5165.9165.1-6.9112.1
1439Q24.9Very low24Very low200 Ų200168 Ų16894%0.93581%0.807SS**  trans-160.2130.9130.3-108.4158.327.200111.5
1440R18Very low23.7Very low242 Ų242167.9 Ų167.991%0.91381%0.807SS**  trans-91.8142.2165.5-78.3174.8166.4170.7-5.5107.4
1441Y22Very low23.8Very low206 Ų206159.7 Ų159.781%0.80879%0.792SS**  trans-154.5151.6135.9-129.6-102.7000111.6
1442Q23.8Very low23.8Very low137 Ų137160.3 Ų160.364%0.6479%0.792SS**  trans-38.9170.3164.4-49.6175.2-18.100114.5
1443D24.2Very low23.8Very low103 Ų103161.3 Ų161.355%0.55179%0.787SS**  cis-162.4157.12.2-133.2-11.7000110
1444K25.2Very low24.1Very low159 Ų159158.6 Ų158.669%0.69178%0.782SS**  trans49.9138.8139.8-73.9163.7-163.3147.10124.5
1445L22.5Very low24Very low145 Ų145157.8 Ų157.876%0.75978%0.783SS**  trans102119.2130.2-104.562.8000121.7
1446L23.4Very low24.2Very low151 Ų151154 Ų15479%0.79178%0.781SS**  trans75.293.6138.8-73.9161.4000122.9
1447C21Very low23.9Very low108 Ų108152.8 Ų152.873%0.7378%0.776SS**  trans-35.6139.1136.5175.80000116.5
1448S23.2Very low24Very low105 Ų105150.5 Ų150.573%0.73477%0.774SS**  trans-173.9110.3131.1-158.90000110.6
1449K24.2Very low24.3Very low173 Ų173146.8 Ų146.875%0.75277%0.767SS**  52.4111.2103.7-61.9-175.3179-1800117.8
1450N23.8Very low24.2Very low154 Ų154144.5 Ų144.582%0.82476%0.756SS**  trans44.4125.6131.9-54.7-0.1000120.8
1451S27.1Very low24.5Very low102 Ų102143 Ų14371%0.71376%0.756SS**  154.7117.7103.569.30000114.5
1452T25.3Very low24.6Very low125 Ų125138 Ų13877%0.76775%0.751SS**  trans48.6127.3132.564.60000123.2
1453S26.3Very low24.6Very low93 Ų93141.9 Ų141.965%0.6577%0.766SS**  108149.3122.381.50000121.7
1454K26.4Very low24.6Very low189 Ų189141.1 Ų141.182%0.82277%0.774SS**  trans71126.6159.7-65.7157.6-176.4174.80116
1455L23.8Very low24.5Very low176 Ų176145.1 Ų145.192%0.92179%0.785SS**  cis77.4110.638.5-147.5122000113.4
1456S29.1Very low24.7Very low115 Ų115143.5 Ų143.580%0.80479%0.785SS**  trans-156.3156.3-177.7580000107.9
1457S26.2Very low24.7Very low99 Ų99140.9 Ų140.969%0.69278%0.78SS**  cis-163.4123.5-17.2171.30000105.9
1458V25.6Very low24.9Very low148 Ų148142.4 Ų142.490%0.89778%0.78SS**  trans-138.1138.5171-179.70000108.9
1459H23.7Very low25.3Very low152 Ų152142.8 Ų142.870%0.70478%0.783SS**  trans-82.6139.7-160.9-99-112.9000115.8
1460H22.8Very low25.4Very low153 Ų153142.1 Ų142.171%0.70879%0.788SS**  trans42123.6137.5-71.6-119.8000120.7
1461K26Very low25.9Very low211 Ų211142.5 Ų142.592%0.91779%0.79SS**  -163.7146.598.8-103.3166.5-175.7177.60112.2
1462S23.5Very low25.8Very low99 Ų99144.5 Ų144.569%0.69279%0.792SS**  trans-110.6149.8-179.348.30000111
1463F23.5Very low25.7Very low220 Ų220146 Ų14697%0.96580%0.795SS**  trans-160.9159.7143.6-103.3-70000109.2
1464A24.3Very low25.7Very low87 Ų87146.3 Ų146.372%0.71980%0.797SS**  trans-133156-158.800000113.7
1465R23.1Very low25.6Very low243 Ų243142.5 Ų142.592%0.91780%0.795SS**  trans159.8157.3130-92.3177.2171.1-174.9-3.2114.1
1466S25.7Very low25.6Very low110 Ų110141 Ų14177%0.76979%0.787SS**  trans63.3124.6169.5-112.20000116.4
1467S24.4Very low25.3Very low96 Ų96139.8 Ų139.867%0.67178%0.778SS**  cis76.3118.829-133.10000114.9
1468D25.9Very low25.3Very low140 Ų140141 Ų14175%0.74978%0.777SS**  trans112.4151.6142.1-53.7-21000120.3
1469S30.4Very low25.4Very low113 Ų113142.2 Ų142.279%0.7977%0.773SS**  trans72.4101.1172.847.80000119.4
1470D27.2Very low25.8Very low160 Ų160139.8 Ų139.886%0.85677%0.77SS**  trans-55.7148.3140.3-50.8-88.2000110.7
1471D32.9Very low25.7Very low162 Ų162139.2 Ų139.287%0.86677%0.772SS**  trans-150.3148.6154-120.3-32.8000112.4
1472L25.2Very low25.6Very low144 Ų144135.7 Ų135.775%0.75476%0.763SS**  trans-100.5175.3-169.1-71.3161.5000112.4
1473N24.3Very low25.8Very low157 Ų157141.9 Ų141.984%0.8477%0.773SS**  trans77.8152.2170-43.5-58.2000114.5
1474S26.1Very low25.8Very low98 Ų98135.8 Ų135.869%0.68576%0.758SS**  cis-152.3140.9-3.838.20000106.4
1475S23.6Very low26.1Very low110 Ų110136.7 Ų136.777%0.76976%0.759SS**  52.3148.276.4-1560000115.5
1476L23.6Very low26.2Very low145 Ų145132.4 Ų132.476%0.75975%0.754SS**  trans85.3107.5-176.9-59.2149.2000113.5
1477S23.3Very low26.2Very low88 Ų88133.8 Ų133.862%0.61575%0.748SS**  81.1157.17287.50000111.8
1478D26.4Very low26.3Very low125 Ų125136.2 Ų136.267%0.66875%0.747SS**  cis-158.8155.519.6-113.9-47.3000112.3
1479Q28.2Very low26.5Very low174 Ų174137.9 Ų137.981%0.81375%0.749SS**  trans68.3162.5142.1-69.5-156.638.200124.8
1480P30.4Very low26.2Very low100 Ų100141.6 Ų141.665%0.64975%0.751SS**  trans-130.7-164.4-157.133.9-9.9000115.2
1481L22.6Very low26.2Very low142 Ų142142.8 Ų142.874%0.74375%0.749SS**  trans105.3130.7155-58.6177.7000119.5
1482N22.3Very low26.1Very low136 Ų136141.8 Ų141.873%0.72774%0.743SS**  trans54.7117.2144.7-60.8-16000120.2
1483Y28.8Very low26.1Very low229 Ų229142.7 Ų142.790%0.89875%0.748SS**  -153.4151110.6-132.1-102.8000112.7
1484S23.7Very low26.2Very low93 Ų93141 Ų14165%0.6575%0.749SS**  trans-101.1151.4176.2-179.60000110.4
1485S29Very low26.1Very low106 Ų106143.3 Ų143.374%0.74175%0.754SS**  trans158.9108.9152.5-720000107.6
1486D25.7Very low26Very low152 Ų152143.3 Ų143.381%0.81375%0.754SS**  75.8141.171.8-93.2-41000117
1487E27.2Very low26.3Very low140 Ų140142 Ų14265%0.65476%0.756SS**  trans88123.6159.5-62.1-131105.500123.2
1488K24.7Very low26.3Very low147 Ų147144 Ų14464%0.63976%0.764SS**  trans62.3119.2136.7-65.9169.5175.8145.50118.9
1489H29.9Very low26.1Very low174 Ų174143.3 Ų143.381%0.80677%0.768SS**  -169.4150.160.6-112.3-71.1000113.3
1490K24.5Very low26.2Very low191 Ų191144.6 Ų144.683%0.8377%0.771SS**  trans-84.2150.4159.9-73.5176.6173.11770111.3
1491K28.5Very low25.8Very low186 Ų186149.5 Ų149.581%0.80978%0.782SS**  trans166.4149.9152.3-95.5164.8176.4-172.20108.6
1492D29.6Very low26Very low140 Ų140152 Ų15275%0.74979%0.79SS**  cis-158.4161.3-30.2-99.1-16.5000107
1493L25.1Very low26Very low164 Ų164150.8 Ų150.886%0.85979%0.791SS**  trans-85.4151.7-179.4-64.794.1000113
1494S27.9Very low25.7Very low122 Ų122145.2 Ų145.285%0.85379%0.786SS**  trans-144.9151.7158.165.50000112
1495N22.1Very low25.8Very low146 Ų146146.2 Ų146.278%0.78179%0.79SS**  trans-119152.6-159.9-85.1-31.4000114.5
1496S23.2Very low25.4Very low110 Ų110147 Ų14777%0.76979%0.79SS**  trans55119.7139.767.90000123.2
1497S28.9Very low25.2Very low116 Ų116150.7 Ų150.781%0.81179%0.794SS**  trans-162.4127.7134.552.40000107.5
1498V23Very low25.1Very low130 Ų130148.1 Ų148.179%0.78879%0.792SS**  100.7100.851.7168.40000113.4
1499C22.6Very low25.3Very low111 Ų111147.2 Ų147.275%0.7580%0.801SS**  trans61.7124.4146-64.10000124.3
1500K30.1Very low25Very low201 Ų201144.8 Ų144.887%0.87480%0.798SS**  161.4112.1127.7-86.5160.4-175.3-178.10109
1501K22.5Very low24.9Very low204 Ų204141.7 Ų141.789%0.88779%0.791SS**  59.8101.979-79.9-165.6175.2-174.30115.8
1502E27.3Very low24.6Very low195 Ų195140.2 Ų140.291%0.91180%0.798SS**  -173.3174.8119-101.8179-153.600111.7
1503C21.2Very low24.2Very low110 Ų110137.2 Ų137.274%0.74379%0.787SS**  trans-119.2149.5-144.2-570000117.3
1504S22.5Very low24Very low112 Ų112138.7 Ų138.778%0.78378%0.783SS**  trans54151139.559.50000121.7
1505P25.9Very low23.8Very low114 Ų114139 Ų13974%0.7478%0.775SS**  cis-137.6150.222.939.1-19.9000118.9
1506T22Very low23.8Very low122 Ų122141.4 Ų141.475%0.74878%0.781SS**  trans36.9103131.8-38.10000121.5
1507Y20.9Very low23.9Very low229 Ų229145.3 Ų145.390%0.89879%0.785SS**  -153.5131.7116.3-136.4-94.7000110.7
1508S23.9Very low23.7Very low86 Ų86147.3 Ų147.360%0.60179%0.785SS**  trans-122.1115.6-173.356.80000112.1V1510S1508-V1510 PolarHBondContact O-N 2.83Å
1509P29.2Very low23.7Very low128 Ų128152.3 Ų152.383%0.83179%0.79SS**  trans-81.1112.4165.731.2-29.3000109.5N1511P1509-N1511 PolarHBondContact O-N 2.8Å
1510V23.6Very low23.9Very low124 Ų124153.9 Ų153.975%0.75279%0.79SS**  trans-84.4101.6-174.4176.40000111.7S1508S1508-V1510 PolarHBondContact O-N 2.83Å
1511N22.8Very low23.7Very low125 Ų125149.8 Ų149.867%0.66879%0.787SS**  trans53.575.7130.1-157.418.7000118.5P1509 S1513P1509-N1511 PolarHBondContact O-N 2.8Å; N1511-S1513 PolarHBondContact O-N 3.42Å
1512T21.6Very low23.8Very low156 Ų156151 Ų15196%0.95779%0.786SS**  trans-89.583.2155.740.30000110.2
1513S21.6Very low24.3Very low76 Ų76146.8 Ų146.853%0.53178%0.775SS.*  trans-146.5163175.9-165.80000112.6N1511N1511-S1513 PolarHBondContact O-N 3.42Å
1514Y21.3Very low25Very low196 Ų196148.3 Ų148.377%0.76977%0.769SS**  trans82.194.2-171.8-64.8-88000115.3
1515N24.3Very low25.8Very low129 Ų129150.1 Ų150.169%0.6976%0.763SS**  75.896.772.3-77.5-58.8000113.7K1517N1515-K1517 PolarHBondContact O-N 2.79Å
1516H22.1Very low26.4Very low195 Ų195149.1 Ų149.190%0.90375%0.752SS**  trans-12.994.1135.3-124.6-92.4000115.1
1517K24Very low27.1Very low193 Ų193147.9 Ų147.984%0.83974%0.741SS**  trans-171.3100.1154.5-108.2167-169.31780110.3N1515N1515-K1517 PolarHBondContact O-N 2.79Å
1518L25.3Very low27.9Very low158 Ų158143.2 Ų143.283%0.82773%0.727SS**  16890.3124.8-88.3165.2000109.9L1520L1518-L1520 PolarHBondContact O-N 2.82Å
1519R22.5Very low28.6Very low234 Ų234144.1 Ų144.188%0.88372%0.724SS**  trans-86.480169.9-175.5-173.2-1741744.1109.3
1520L26.8Very low29.2Very low145 Ų145142.5 Ų142.576%0.75971%0.708SS**  trans-140.5150.8166.5-75.9177.5000109.7L1518L1518-L1520 PolarHBondContact O-N 2.82Å
1521S26.5Very low30.1Very low114 Ų114139.2 Ų139.280%0.79769%0.694SS**  trans53.877.2-177.958.80000116.5
1522W24.8Very low31.2Very low229 Ų229138.1 Ų138.187%0.86769%0.692SS**PPolyproline II helixtrans-81.8123.5138.7-74.662.4000107.1K1524W1522-K1524 PolarHBondContact O-N 2.85Å
1523P36.9Very low32Very low107 Ų107133.1 Ų133.170%0.69567%0.666SS**PPolyproline II helixtrans-61.9121.9156.6-1026.1000106
1524K37.5Very low33Very low142 Ų142134 Ų13462%0.61766%0.664SS**PPolyproline II helixtrans-72.2146.1-176.8-67.8-176.9-179.4179.60108.9W1522 D1526 D1527W1522-K1524 PolarHBondContact O-N 2.85Å; K1524-D1526 HydrophobicContact CB-CB 4.07Å; K1524-D1526 WeakPolarHBondContact CB-OD2 3.28Å; K1524-D1526 VanDerWaalsContact CD-OD2 3.24Å; K1524-D1526 WeakPolarHBondContact CD-OD2 3.18Å; K1524-D1526 PolarHBondContact O-N 2.97Å; K1524-D1527 PolarHBondContact O-N 2.79Å
1525F38.8Very low34.1Very low150 Ų150132.5 Ų132.566%0.65866%0.659SS**THydrogen-bonded Turntrans-49.6-25.7171.5-174.2-107.6000113.1D1527 Q1528 I1529F1525-D1527 PolarHBondContact O-N 2.97Å; F1525-Q1528 PolarHBondContact O-N 3.38Å; F1525-I1529 HydrophobicContact CD1-CD1 4.25Å; F1525-I1529 HydrophobicContact CE1-CD1 4.14Å; F1525-I1529 PolarHBondContact O-N 2.98Å
1526D37.6Very low34.7Very low93 Ų93129.3 Ų129.350%0.49765%0.65SS.*Hα-helixtrans-47.7-36.3168-54-36.3000113.7K1524 Q1528 I1529 L1530K1524-D1526 HydrophobicContact CB-CB 4.07Å; K1524-D1526 WeakPolarHBondContact CB-OD2 3.28Å; K1524-D1526 VanDerWaalsContact CD-OD2 3.24Å; K1524-D1526 WeakPolarHBondContact CD-OD2 3.18Å; K1524-D1526 PolarHBondContact O-N 2.97Å; D1526-Q1528 VanDerWaalsContact C-N 3.31Å; D1526-Q1528 PolarHBondContact O-N 2.87Å; D1526-I1529 PolarHBondContact O-N 2.87Å; D1526-L1530 WeakPolarHBondContact O-CB 3.49Å; D1526-L1530 PolarHBondContact O-N 3.17Å
1527D37.1Very low35.4Very low96 Ų96122.8 Ų122.851%0.51363%0.63SS.*Hα-helixtrans-70.8-24.1-179.9-72.9-28.4000112.6K1524 F1525 A1531K1524-D1527 PolarHBondContact O-N 2.79Å; F1525-D1527 PolarHBondContact O-N 2.97Å; D1527-A1531 WeakPolarHBondContact O-CB 3.2Å; D1527-A1531 PolarHBondContact O-N 3.11Å
1528Q37.6Very low36.2Very low132 Ų132116.9 Ų116.962%0.61761%0.613SS**Hα-helixtrans-77.6-37.1171.3-74.1-174.6-2.400111.5F1525 D1526 L1530 A1531 V1532F1525-Q1528 PolarHBondContact O-N 3.38Å; D1526-Q1528 VanDerWaalsContact C-N 3.31Å; D1526-Q1528 PolarHBondContact O-N 2.87Å; Q1528-L1530 VanDerWaalsContact C-N 3.33Å; Q1528-A1531 PolarHBondContact O-N 2.98Å; Q1528-V1532 WeakPolarHBondContact O-CB 3.28Å; Q1528-V1532 VanDerWaalsContact O-CG2 3.31Å; Q1528-V1532 WeakPolarHBondContact O-CG2 3.5Å; Q1528-V1532 PolarHBondContact O-N 3.12Å
1529I37.9Very low36.8Very low104 Ų104115.4 Ų115.453%0.53361%0.605SS.*Hα-helixtrans-65.9-40.7172.2-61.9176.8000109.9F1525 D1526 V1532 A1533F1525-I1529 HydrophobicContact CD1-CD1 4.25Å; F1525-I1529 HydrophobicContact CE1-CD1 4.14Å; F1525-I1529 PolarHBondContact O-N 2.98Å; D1526-I1529 PolarHBondContact O-N 2.87Å; I1529-V1532 PolarHBondContact O-N 3.04Å; I1529-A1533 WeakPolarHBondContact O-CB 3.14Å; I1529-A1533 PolarHBondContact O-N 3.38Å
1530L42Very low37.5Very low95 Ų95111.3 Ų111.350%0.49760%0.601SS.*Hα-helixtrans-71.1-33.2175.6-163.967.9000112D1526 Q1528 A1533 N1534D1526-L1530 WeakPolarHBondContact O-CB 3.49Å; D1526-L1530 PolarHBondContact O-N 3.17Å; Q1528-L1530 VanDerWaalsContact C-N 3.33Å; L1530-A1533 PolarHBondContact O-N 3.3Å; L1530-N1534 WeakPolarHBondContact O-CB 3.39Å; L1530-N1534 PolarHBondContact O-N 3.47Å; L1530-N1534 PolarHBondContact O-ND2 3.33Å
1531A43.1Very low37.7Very low54 Ų54112.1 Ų112.145%0.44660%0.601SS.*Hα-helixtrans-67.9-39171.400000111.9D1527 Q1528 N1534 Y1535D1527-A1531 WeakPolarHBondContact O-CB 3.2Å; D1527-A1531 PolarHBondContact O-N 3.11Å; Q1528-A1531 PolarHBondContact O-N 2.98Å; A1531-N1534 PolarHBondContact O-N 3.47Å; A1531-Y1535 WeakPolarHBondContact O-CB 3.42Å; A1531-Y1535 PolarHBondContact O-N 3.47Å
1532V45.8Very low38.1Very low103 Ų103114 Ų11462%0.62460%0.602SS**Hα-helixtrans-67.2-401731700000111Q1528 I1529 Y1535 A1536Q1528-V1532 WeakPolarHBondContact O-CB 3.28Å; Q1528-V1532 VanDerWaalsContact O-CG2 3.31Å; Q1528-V1532 WeakPolarHBondContact O-CG2 3.5Å; Q1528-V1532 PolarHBondContact O-N 3.12Å; I1529-V1532 PolarHBondContact O-N 3.04Å; V1532-Y1535 PolarHBondContact O-N 3.18Å; V1532-A1536 WeakPolarHBondContact O-CB 3.39Å; V1532-A1536 PolarHBondContact O-N 3.45Å
1533A38.6Very low38.6Very low50 Ų50109.3 Ų109.341%0.41360%0.598SS.*Hα-helixtrans-65.9-41174.200000112.2I1529 L1530 A1536 A1537I1529-A1533 WeakPolarHBondContact O-CB 3.14Å; I1529-A1533 PolarHBondContact O-N 3.38Å; L1530-A1533 PolarHBondContact O-N 3.3Å; A1533-A1536 PolarHBondContact O-N 3.46Å; A1533-A1537 WeakPolarHBondContact O-CB 3.32Å; A1533-A1537 PolarHBondContact O-N 3.41Å
1534N43.3Very low38.2Very low94 Ų94112.8 Ų112.850%0.50361%0.611SS.*Hα-helixtrans-72.4-31.6176.1-70.5-15000111.9L1530 A1531 A1537 S1538L1530-N1534 WeakPolarHBondContact O-CB 3.39Å; L1530-N1534 PolarHBondContact O-N 3.47Å; L1530-N1534 PolarHBondContact O-ND2 3.33Å; A1531-N1534 PolarHBondContact O-N 3.47Å; N1534-A1537 PolarHBondContact O-N 3.23Å; N1534-S1538 VanDerWaalsContact O-CB 3.25Å; N1534-S1538 WeakPolarHBondContact O-CB 3.09Å; N1534-S1538 PolarHBondContact O-N 2.85Å; N1534-S1538 PolarHBondContact O-OG 3.35Å
1535Y43.2Very low38Very low166 Ų166109.5 Ų109.565%0.65161%0.61SS**Hα-helixtrans-66.5-46.2172.1-171.3-102.4000110.3A1531 V1532 A1537 S1538 L1539A1531-Y1535 WeakPolarHBondContact O-CB 3.42Å; A1531-Y1535 PolarHBondContact O-N 3.47Å; V1532-Y1535 PolarHBondContact O-N 3.18Å; Y1535-A1537 VanDerWaalsContact C-N 3.3Å; Y1535-A1537 PolarHBondContact O-N 2.77Å; Y1535-S1538 WeakPolarHBondContact CA-OG 3.39Å; Y1535-S1538 PolarHBondContact O-N 3.46Å; Y1535-S1538 PolarHBondContact O-OG 3.44Å; Y1535-L1539 HydrophobicContact CE1-CD1 4.43Å; Y1535-L1539 PolarHBondContact O-N 2.91Å
1536A38.3Very low37.6Very low61 Ų61110 Ų11050%0.50463%0.625SS.*Hα-helixtrans-61.7-34.5172.100000113V1532 A1533V1532-A1536 WeakPolarHBondContact O-CB 3.39Å; V1532-A1536 PolarHBondContact O-N 3.45Å; A1533-A1536 PolarHBondContact O-N 3.46Å
1537A36.6Very low37.2Very low58 Ų58108.4 Ų108.448%0.47963%0.63SS.*Hα-helixtrans-74.1-36.7173.800000112.8A1533 N1534 Y1535 L1539 N1540A1533-A1537 WeakPolarHBondContact O-CB 3.32Å; A1533-A1537 PolarHBondContact O-N 3.41Å; N1534-A1537 PolarHBondContact O-N 3.23Å; Y1535-A1537 VanDerWaalsContact C-N 3.3Å; Y1535-A1537 PolarHBondContact O-N 2.77Å; A1537-L1539 PolarHBondContact O-N 3.4Å; A1537-N1540 PolarHBondContact O-N 3.37Å
1538S40.6Very low36.9Very low70 Ų70112 Ų11249%0.4965%0.649SS.*Hα-helixtrans-67.4-20.1-17970.50000113.6N1534 Y1535 N1540N1534-S1538 VanDerWaalsContact O-CB 3.25Å; N1534-S1538 WeakPolarHBondContact O-CB 3.09Å; N1534-S1538 PolarHBondContact O-N 2.85Å; N1534-S1538 PolarHBondContact O-OG 3.35Å; Y1535-S1538 WeakPolarHBondContact CA-OG 3.39Å; Y1535-S1538 PolarHBondContact O-N 3.46Å; Y1535-S1538 PolarHBondContact O-OG 3.44Å; S1538-N1540 PolarHBondContact O-N 2.78Å
1539L37.3Very low36.4Very low126 Ų126110.3 Ų110.366%0.6665%0.653SS**THydrogen-bonded Turntrans-72-5.9171.7-78.3165.4000114Y1535 A1537Y1535-L1539 HydrophobicContact CE1-CD1 4.43Å; Y1535-L1539 PolarHBondContact O-N 2.91Å; A1537-L1539 PolarHBondContact O-N 3.4Å
1540N36.9Very low36.1Very low149 Ų149111.6 Ų111.680%0.79767%0.665SS**THydrogen-bonded Turntrans-108.35.3-178.4-98.820.4000115.1A1537 S1538A1537-N1540 PolarHBondContact O-N 3.37Å; S1538-N1540 PolarHBondContact O-N 2.78Å
1541E32.1Very low35.5Very low162 Ų162114.1 Ų114.176%0.75768%0.679SS**SBendtrans-94.1118.6169.1-69.7-169.6169.100110.7
1542N34.9Very low35Very low153 Ų153118.2 Ų118.282%0.81869%0.692SS**SBendtrans99.251.7174.5-51.5-69000119.4
1543V34.1Very low34.3Very low131 Ų131120.4 Ų120.479%0.79470%0.695SS**  trans-137.776147.8-1690000111.5A1545V1543-A1545 VanDerWaalsContact C-N 3.31Å; V1543-A1545 HydrophobicContact CG1-CB 4.03Å; V1543-A1545 PolarHBondContact O-N 3.42Å
1544D30.1Very low33.9Very low180 Ų180125 Ų12596%0.96371%0.712SS**  trans-76.280.7163.2-78.2-42.2000109.9
1545A32.3Very low33.1Very low72 Ų72120.8 Ų120.860%0.59569%0.69SS**  trans-149.388.1176.200000113V1543 G1547V1543-A1545 VanDerWaalsContact C-N 3.31Å; V1543-A1545 HydrophobicContact CG1-CB 4.03Å; V1543-A1545 PolarHBondContact O-N 3.42Å; A1545-G1547 PolarHBondContact O-N 2.76Å
1546V30.8Very low32.5Very low162 Ų162117.2 Ų117.298%0.98269%0.688SS**  trans13.188.9157.7-1680000115.9
1547G29.8Very low32.4Very low58 Ų58117 Ų11760%0.59869%0.685SS**  trans-150.6133.5164.700000109.1A1545 S1549A1545-G1547 PolarHBondContact O-N 2.76Å; G1547-S1549 PolarHBondContact O-N 2.83Å
1548D29.3Very low32.1Very low171 Ų171118.1 Ų118.191%0.91470%0.695SS**  trans-68.677-174.8-67.4-46.4000111.8V1550D1548-V1550 PolarHBondContact O-N 3.35Å
1549S27.8Very low31.8Very low98 Ų98119.5 Ų119.569%0.68570%0.704SS**  trans-69.4110.6172.753.90000109.2G1547 D1551G1547-S1549 PolarHBondContact O-N 2.83Å; S1549-D1551 PolarHBondContact O-N 2.82Å
1550V32.4Very low31.6Very low131 Ų131121.3 Ų121.379%0.79471%0.713SS**  trans-59.4104.8171.3178.40000108.3D1548 I1552D1548-V1550 PolarHBondContact O-N 3.35Å; V1550-I1552 PolarHBondContact O-N 3.05Å
1551D27.5Very low31.8Very low147 Ų147118.5 Ų118.579%0.78670%0.703SS**  trans-57.899.6176-92.3-31000110.2S1549 H1553S1549-D1551 PolarHBondContact O-N 2.82Å; D1551-H1553 PolarHBondContact O-N 2.54Å
1552I34.4Very low32.4Very low141 Ų141116.2 Ų116.272%0.72370%0.702SS**  trans-73.779.9161.8-53.8179.6000105.6V1550 L1554V1550-I1552 PolarHBondContact O-N 3.05Å; I1552-L1554 HydrophobicContact CG2-CG 4.25Å; I1552-L1554 PolarHBondContact O-N 2.87Å
1553H30.4Very low32.8Very low148 Ų148117 Ų11769%0.68571%0.705SS**  trans-67.878.6176.6-173.456.3000110D1551 G1555D1551-H1553 PolarHBondContact O-N 2.54Å; H1553-G1555 PolarHBondContact O-N 2.86Å
1554L30.8Very low33.2Very low147 Ų147113.4 Ų113.477%0.7768%0.679SS**  trans-64.378153.1-63.8178.4000106.4I1552I1552-L1554 HydrophobicContact CG2-CG 4.25Å; I1552-L1554 PolarHBondContact O-N 2.87Å
1555G25Very low34.1Very low5 Ų5110.2 Ų110.25%0.05267%0.671CS.*  trans-59.6-177.2177.100000111.7H1553 A1557 A1558H1553-G1555 PolarHBondContact O-N 2.86Å; G1555-A1557 PolarHBondContact O-N 3.44Å; G1555-A1558 PolarHBondContact O-N 2.85Å; G1555-A1558 VanDerWaalsContact O-N 3.17Å
1556P32.1Very low34.7Very low92 Ų92109 Ų10960%0.59766%0.658SS**G310 helixtrans-66.221.4-172.926.3-35.3000115.9A1558P1556-A1558 VanDerWaalsContact C-N 3.25Å
1557A34.6Very low35.5Very low55 Ų55102.9 Ų102.946%0.45563%0.628SS.*G310 helixtrans-76.1-5.3157.100000113.7G1555 C1559G1555-A1557 PolarHBondContact O-N 3.44Å; A1557-C1559 PolarHBondContact O-N 2.77Å
1558A31Very low36Very low82 Ų82100.5 Ų100.568%0.67860%0.602SS**G310 helixtrans-69.1-13.7167.900000113.3G1555 P1556 L1560G1555-A1558 PolarHBondContact O-N 2.85Å; G1555-A1558 VanDerWaalsContact O-N 3.17Å; P1556-A1558 VanDerWaalsContact C-N 3.25Å; A1558-L1560 PolarHBondContact O-N 3.4Å
1559C33.8Very low36.7Very low100 Ų10095.1 Ų95.168%0.67658%0.581SS**SBendtrans-63.4115.6158.4-66.50000108.4A1557A1557-C1559 PolarHBondContact O-N 2.77Å
1560L33.3Very low37.4Very low163 Ų16392.4 Ų92.485%0.85356%0.556SS**  trans-42.8131.8-178.3-68.8168.5000111.4A1558A1558-L1560 PolarHBondContact O-N 3.4Å
1561P41.4Very low38.1Very low91 Ų9190.8 Ų90.859%0.59155%0.547SS*.PPolyproline II helixtrans-59.8151.4175.626.8-34.1000110.1I1563P1561-I1563 PolarHBondContact O-N 3.35Å
1562P45.3Very low39Very low114 Ų11487.4 Ų87.474%0.7453%0.526SS*.PPolyproline II helixtrans-51.5132.8177-26.634.8000111.5H1564P1562-H1564 PolarHBondContact O-N 2.62Å
1563I42.6Very low39.1Very low169 Ų16983 Ų8387%0.86752%0.515SS*.PPolyproline II helixtrans-60.2120-178-59.6166.7000108.7P1561P1561-I1563 PolarHBondContact O-N 3.35Å
1564H42Very low39.7Very low55 Ų5585.8 Ų85.826%0.25552%0.521SS..PPolyproline II helixtrans-68.9133.8176.5-70.9-83.8000110.1P1562 S1566 G1567 A1569P1562-H1564 PolarHBondContact O-N 2.62Å; H1564-S1566 PolarHBondContact O-N 2.88Å; H1564-G1567 PolarHBondContact O-N 3.12Å; H1564-A1569 WeakPolarHBondContact NE2-CA 3.47Å; H1564-A1569 WeakPolarHBondContact NE2-CB 3.25Å
1565S50Low40.5Very low113 Ų11385.5 Ų85.579%0.7951%0.511SS*.THydrogen-bonded Turntrans-64.4-25.9-179.9570000112.9Q1572S1565-Q1572 PolarHBondContact OG-NE2 3.14Å
1566S45.8Very low41.2Very low46 Ų4696.6 Ų96.632%0.32255%0.551SS.*THydrogen-bonded Turntrans-11032.9169.872.20000112.1H1564 S1568 T1571 Q1572 G1729H1564-S1566 PolarHBondContact O-N 2.88Å; S1566-S1568 PolarHBondContact O-N 2.71Å; S1566-T1571 PolarHBondContact OG-OG1 2.76Å; S1566-Q1572 VanDerWaalsContact OG-CG 3.3Å; S1566-Q1572 WeakPolarHBondContact OG-CG 3.42Å; S1566-Q1572 PolarHBondContact OG-NE2 2.81Å; S1566-G1729 CarbonylContact C-O 3.55Å; S1566-G1729 CarbonylContact O-C 3.49Å; S1566-G1729 VanDerWaalsContact O-C 3.23Å; S1566-G1729 VanDerWaalsContact O-CA 3.23Å; S1566-G1729 WeakPolarHBondContact O-CA 3.47Å
1567G45.6Very low42.1Very low35 Ų3595.1 Ų95.136%0.36154%0.537SS..SBendtrans60.4-21.5171.300000119.6H1564 G1729H1564-G1567 PolarHBondContact O-N 3.12Å; G1567-G1729 VanDerWaalsContact C-C 3.49Å; G1567-G1729 CarbonylContact C-O 3.22Å; G1567-G1729 VanDerWaalsContact CA-C 3.43Å; G1567-G1729 WeakPolarHBondContact CA-O 3.44Å
1568S42Very low42.8Very low7 Ų795.9 Ų95.95%0.04954%0.538CS..  trans-108.4129.8-178.1-160.50000111.6S1566 R1570 G1729 I1730S1566-S1568 PolarHBondContact O-N 2.71Å; S1568-R1570 PolarHBondContact O-N 2.62Å; S1568-R1570 PolarHBondContact OG-N 2.85Å; S1568-G1729 VanDerWaalsContact CB-O 3.23Å; S1568-G1729 WeakPolarHBondContact CB-O 3.46Å; S1568-G1729 PolarHBondContact N-O 2.82Å; S1568-I1730 WeakPolarHBondContact CB-O 3.41Å; S1568-I1730 PolarHBondContact OG-O 2.65Å
1569A42.2Very low43.8Very low58 Ų5896.8 Ų96.848%0.47954%0.535SS..THydrogen-bonded Turntrans-67-19.9166.700000112.7H1564H1564-A1569 WeakPolarHBondContact NE2-CA 3.47Å; H1564-A1569 WeakPolarHBondContact NE2-CB 3.25Å
1570R44.4Very low44.4Very low42 Ų4299.3 Ų99.316%0.15854%0.537CS..THydrogen-bonded Turntrans-84.8-32.3-171.3-138175.8-172.5162.53.4113S1568 H1689 S1733 N1757 Y1795S1568-R1570 PolarHBondContact O-N 2.62Å; S1568-R1570 PolarHBondContact OG-N 2.85Å; R1570-H1689 WeakPolarHBondContact CA-NE2 3.36Å; R1570-H1689 WeakPolarHBondContact CB-NE2 3.38Å; R1570-H1689 WeakPolarHBondContact CG-NE2 3.36Å; R1570-H1689 PolarHBondContact O-NE2 2.82Å; R1570-S1733 VanDerWaalsContact CD-OG 3.28Å; R1570-S1733 WeakPolarHBondContact CD-OG 3.1Å; R1570-N1757 PolarHBondContact NH2-OD1 3.07Å; R1570-N1757 VanDerWaalsContact NH2-OD1 3.11Å; R1570-Y1795 PolarHBondContact NH2-OH 3.28Å
1571T46.4Very low45.3Very low97 Ų9796.4 Ų96.460%0.59552%0.519SS*.THydrogen-bonded Turntrans-83-28.2-177.956.70000113.8S1566S1566-T1571 PolarHBondContact OG-OG1 2.76Å
1572Q46.3Very low45.6Very low76 Ų7698.7 Ų98.736%0.35552%0.515SS..SBendtrans-89.8-3.3-177.1-61.1-157.9-13.900115.6S1565 S1566 Y1574S1565-Q1572 PolarHBondContact OG-NE2 3.14Å; S1566-Q1572 VanDerWaalsContact OG-CG 3.3Å; S1566-Q1572 WeakPolarHBondContact OG-CG 3.42Å; S1566-Q1572 PolarHBondContact OG-NE2 2.81Å; Q1572-Y1574 VanDerWaalsContact C-N 3.28Å; Q1572-Y1574 PolarHBondContact O-N 2.94Å
1573G37.3Very low45.4Very low48 Ų48101.2 Ų101.250%0.49552%0.515SS..  trans72-34.6162.100000119
1574Y41.7Very low45.4Very low206 Ų206103.4 Ų103.481%0.80851%0.513SS*.  trans-160.2160.3-17764.6-82.8000116.3Q1572Q1572-Y1574 VanDerWaalsContact C-N 3.28Å; Q1572-Y1574 PolarHBondContact O-N 2.94Å
1575Y47.6Very low45.3Very low142 Ų142105.7 Ų105.756%0.55752%0.519SS*.  trans-134.1141.4162.259.2-85.9000110M1577Y1575-M1577 HydrophobicContact CD2-CG 3.75Å; Y1575-M1577 HydrophobicContact CD2-SD 3.78Å; Y1575-M1577 HydrophobicContact CE2-CG 3.5Å; Y1575-M1577 HydrophobicContact CE2-SD 3.66Å
1576R40.6Very low44.6Very low237 Ų237105.9 Ų105.989%0.89452%0.518SS*.  trans-98.192180-173.5175-178159.5-1110.4
1577M50.3Low44.1Very low61 Ų61111.1 Ų111.130%0.353%0.53SS..  trans-59.5143.4170.6-69.2-60.6-67.100111.5Y1575 E1581 R1582Y1575-M1577 HydrophobicContact CD2-CG 3.75Å; Y1575-M1577 HydrophobicContact CD2-SD 3.78Å; Y1575-M1577 HydrophobicContact CE2-CG 3.5Å; Y1575-M1577 HydrophobicContact CE2-SD 3.66Å; M1577-E1581 HydrophobicContact CE-CB 3.77Å; M1577-E1581 HydrophobicContact CE-CG 4.48Å; M1577-E1581 WeakPolarHBondContact CE-OE2 3.31Å; M1577-R1582 HydrophobicContact CB-CG 4.14Å
1578P50.1Low43.8Very low72 Ų72112.5 Ų112.547%0.46853%0.534SS..  trans-52.2145.5163.5-24.234.5000111.5E1580 E1581 R1582P1578-E1580 PolarHBondContact O-N 2.97Å; P1578-E1581 PolarHBondContact O-N 2.83Å; P1578-R1582 PolarHBondContact O-N 2.83Å
1579T51.1Low43.5Very low101 Ų101116.4 Ų116.462%0.6256%0.557SS**THydrogen-bonded Turntrans-60.2-30.5179.218.60000113F1583T1579-F1583 VanDerWaalsContact O-CD2 3.25Å; T1579-F1583 WeakPolarHBondContact O-CD2 3.33Å
1580E47.2Very low43.2Very low153 Ų153117 Ų11772%0.71557%0.568SS**THydrogen-bonded Turntrans-74.4-40.6-176.4-62.4174-136.300112.5P1578 R1582 F1583P1578-E1580 PolarHBondContact O-N 2.97Å; E1580-R1582 VanDerWaalsContact C-N 3.32Å; E1580-R1582 PolarHBondContact O-N 3.23Å; E1580-F1583 PolarHBondContact O-N 3.41Å
1581E51Low42.7Very low102 Ų102123.9 Ų123.948%0.47760%0.595SS.*G310 helixtrans-72.7-24.1178.2-71.2-169.1119.500113.2M1577 P1578 F1583 R1584M1577-E1581 HydrophobicContact CE-CB 3.77Å; M1577-E1581 HydrophobicContact CE-CG 4.48Å; M1577-E1581 WeakPolarHBondContact CE-OE2 3.31Å; P1578-E1581 PolarHBondContact O-N 2.83Å; E1581-F1583 PolarHBondContact O-N 2.75Å; E1581-R1584 PolarHBondContact O-N 3.15Å
1582R48.6Very low42.2Very low138 Ų138120.8 Ų120.852%0.52158%0.577SS.*G310 helixtrans-60.2-23.7175.9-90.2-176.1170.6-177.8-1.8113.8M1577 P1578 E1580 C1588M1577-R1582 HydrophobicContact CB-CG 4.14Å; P1578-R1582 PolarHBondContact O-N 2.83Å; E1580-R1582 VanDerWaalsContact C-N 3.32Å; E1580-R1582 PolarHBondContact O-N 3.23Å; R1582-C1588 WeakPolarHBondContact O-CB 3.38Å
1583F40.8Very low41.8Very low167 Ų167123.5 Ų123.573%0.73259%0.593SS**G310 helixtrans-91.5-19.3-179.7-69.9-79.8000113.9T1579 E1580 E1581 R1585T1579-F1583 VanDerWaalsContact O-CD2 3.25Å; T1579-F1583 WeakPolarHBondContact O-CD2 3.33Å; E1580-F1583 PolarHBondContact O-N 3.41Å; E1581-F1583 PolarHBondContact O-N 2.75Å; F1583-R1585 PolarHBondContact O-N 2.8Å
1584R43.1Very low41.9Very low216 Ų216126.8 Ų126.882%0.81560%0.598SS**SBendtrans-80.9-8.1-174.7-67.2-162.6-169.3-179.96.5115.2E1581E1581-R1584 PolarHBondContact O-N 3.15Å
1585R38.9Very low41.7Very low103 Ų103118.1 Ų118.139%0.38957%0.572SS.*SBendtrans-112.6117.6-175.4-72.1-174.7173.5-162-4.3110.8F1583 W1587 C1588F1583-R1585 PolarHBondContact O-N 2.8Å; R1585-W1587 PolarHBondContact O-N 3.45Å; R1585-C1588 WeakPolarHBondContact O-CB 3.45Å; R1585-C1588 PolarHBondContact O-N 3.47Å
1586P35.1Very low41.9Very low117 Ų117121.7 Ų121.776%0.7659%0.593SS**G310 helixtrans-54.5-27.1-174.4-30.836.4000116.2V1589P1586-V1589 WeakPolarHBondContact O-CG2 3.46Å
1587W35.8Very low42.5Very low156 Ų156114.2 Ų114.259%0.59157%0.571SS**G310 helixtrans-875.9176.750.822.3000115.4R1585 V1589R1585-W1587 PolarHBondContact O-N 3.45Å; W1587-V1589 PolarHBondContact O-N 2.87Å
1588C39.7Very low42.1Very low64 Ų64113.9 Ų113.943%0.43258%0.583SS.*G310 helixtrans-83.66174.8-70.90000113.8R1582 R1585 G1590R1582-C1588 WeakPolarHBondContact O-CB 3.38Å; R1585-C1588 WeakPolarHBondContact O-CB 3.45Å; R1585-C1588 PolarHBondContact O-N 3.47Å; C1588-G1590 PolarHBondContact O-N 3.29Å
1589V35.3Very low41.6Very low88 Ų88119.3 Ų119.353%0.53359%0.594SS.*  trans-78.668-178.4-1690000111P1586 W1587P1586-V1589 WeakPolarHBondContact O-CG2 3.46Å; W1587-V1589 PolarHBondContact O-N 2.87Å
1590G36Very low41Very low70 Ų70124.2 Ų124.272%0.72260%0.602SS**  trans-119.116.7177.500000114C1588 S1592C1588-G1590 PolarHBondContact O-N 3.29Å; G1590-S1592 PolarHBondContact O-N 2.96Å
1591R33.6Very low40.5Very low188 Ų188124.8 Ų124.871%0.70960%0.597SS**  trans-77.5103.5169.1-84-170.9-179.1-102.28109.1L1593 I1603R1591-L1593 PolarHBondContact O-N 3.45Å; R1591-I1603 VanDerWaalsContact O-CD1 3.28Å; R1591-I1603 WeakPolarHBondContact O-CD1 3.42Å
1592S36.2Very low39.8Very low32 Ų32125.2 Ų125.222%0.22461%0.609CS.*  trans-53.6131.1148.9-73.30000108.9G1590 I1594 R1601G1590-S1592 PolarHBondContact O-N 2.96Å; S1592-I1594 PolarHBondContact O-N 2.84Å; S1592-R1601 WeakPolarHBondContact CA-O 3.4Å; S1592-R1601 WeakPolarHBondContact CB-O 3.42Å; S1592-R1601 PolarHBondContact OG-O 2.97Å
1593L36.8Very low39.1Very low133 Ų133122.7 Ų122.770%0.69661%0.605SS**  trans-61.3131.5148.8-90.979.7000106.8R1591 G1595 I1603R1591-L1593 PolarHBondContact O-N 3.45Å; L1593-G1595 PolarHBondContact O-N 3.31Å; L1593-I1603 HydrophobicContact CD1-CD1 4.18Å
1594I40.7Very low38.8Very low116 Ų116119.9 Ų119.960%0.59560%0.604SS**BIsolated β-bridgetrans-71.9114.4161.1-66.478.4000104S1592S1592-I1594 PolarHBondContact O-N 2.84Å
1595G36.8Very low38.3Very low25 Ų25115 Ų11526%0.25859%0.593SS.*  trans-65161.2169.300000110.2L1593 D1597 G1598 R1599L1593-G1595 PolarHBondContact O-N 3.31Å; G1595-D1597 PolarHBondContact O-N 2.86Å; G1595-G1598 PolarHBondContact O-N 2.7Å; G1595-R1599 PolarHBondContact N-O 3.15Å
1596E51.9Low37.9Very low216 Ų216118 Ų118100%1.00961%0.614SS**THydrogen-bonded Turntrans-59.6-17.8175-63.1-179.9143.700112.5G1598E1596-G1598 VanDerWaalsContact C-N 3.26Å; E1596-G1598 PolarHBondContact O-N 2.82Å
1597D53.7Low37.6Very low80 Ų80118 Ų11843%0.42861%0.613SS.*THydrogen-bonded Turntrans-79.64.5171.166.2-16.5000114.4G1595 R1599 R1601G1595-D1597 PolarHBondContact O-N 2.86Å; D1597-R1599 PolarHBondContact O-N 2.9Å; D1597-R1599 VanDerWaalsContact O-N 3.08Å; D1597-R1599 PolarHBondContact OD1-N 3.1Å; D1597-R1601 IonicContact OD1-NH2 2.8Å; D1597-R1601 IonicContact OD2-CZ 2.74Å; D1597-R1601 IonicContact OD2-NH2 3.18Å; D1597-R1601 PolarHBondContact OD2-NH2 3.45Å
1598G41.5Very low37.2Very low54 Ų54114.9 Ų114.956%0.55762%0.621SS**SBendtrans69.8-2-178.300000114.7G1595 E1596G1595-G1598 PolarHBondContact O-N 2.7Å; E1596-G1598 VanDerWaalsContact C-N 3.26Å; E1596-G1598 PolarHBondContact O-N 2.82Å
1599R39.3Very low36.9Very low186 Ų186118 Ų11870%0.70264%0.638SS**PPolyproline II helixtrans-88127.9-175.9-65.6-174177.3-156-0.1110.6G1595 D1597 R1601G1595-R1599 PolarHBondContact N-O 3.15Å; D1597-R1599 PolarHBondContact O-N 2.9Å; D1597-R1599 VanDerWaalsContact O-N 3.08Å; D1597-R1599 PolarHBondContact OD1-N 3.1Å; R1599-R1601 PolarHBondContact O-N 3.13Å
1600R38.2Very low36.6Very low204 Ų204120.4 Ų120.477%0.7765%0.653SS**BIsolated β-bridgetrans-75116.1174.8-66.4-176.5-177.1-175.73109.5
1601R37.4Very low36.1Very low165 Ų165125.7 Ų125.762%0.62366%0.659SS**PPolyproline II helixtrans-102.8132.3169.9-61.7-177.5-167.7158.49.1109.2S1592 D1597 R1599S1592-R1601 WeakPolarHBondContact CA-O 3.4Å; S1592-R1601 WeakPolarHBondContact CB-O 3.42Å; S1592-R1601 PolarHBondContact OG-O 2.97Å; D1597-R1601 IonicContact OD1-NH2 2.8Å; D1597-R1601 IonicContact OD2-CZ 2.74Å; D1597-R1601 IonicContact OD2-NH2 3.18Å; D1597-R1601 PolarHBondContact OD2-NH2 3.45Å; R1599-R1601 PolarHBondContact O-N 3.13Å
1602P35.7Very low35.9Very low112 Ų112120.4 Ų120.473%0.72766%0.655SS**PPolyproline II helixtrans-69.4138.1174.228.5-32.8000109.8
1603I35.3Very low35.5Very low85 Ų85128.1 Ų128.144%0.43669%0.688SS.*PPolyproline II helixtrans-78.7127.9168.1-59.2179.2000106.9R1591 L1593 L1605R1591-I1603 VanDerWaalsContact O-CD1 3.28Å; R1591-I1603 WeakPolarHBondContact O-CD1 3.42Å; L1593-I1603 HydrophobicContact CD1-CD1 4.18Å; I1603-L1605 PolarHBondContact O-N 3.25Å
1604P33.1Very low35.2Very low108 Ų108128.9 Ų128.970%0.70169%0.692SS**PPolyproline II helixtrans-59.7127.3174.9-22.933.8000110.9M1606P1604-M1606 PolarHBondContact O-N 3.25Å
1605L34.3Very low34.5Very low112 Ų112127.2 Ų127.259%0.58670%0.703SS**  trans-66.499.4174-66.6170.7000109.3I1603I1603-L1605 PolarHBondContact O-N 3.25Å
1606M28.9Very low34.3Very low168 Ų168128.2 Ų128.283%0.82871%0.714SS**  trans-78.6131.7164.5-67.5-167.270.400108.9P1604P1604-M1606 PolarHBondContact O-N 3.25Å
1607P28.6Very low33.3Very low115 Ų115125.5 Ų125.575%0.74771%0.706SS**  trans-62.8143.1173.527.7-33.7000109.5T1609P1607-T1609 PolarHBondContact O-N 3.18Å
1608A28.7Very low32.4Very low92 Ų92126.3 Ų126.376%0.7672%0.724SS**  trans-59.4112.3-178.600000110.5V1610A1608-V1610 PolarHBondContact O-N 3.2Å
1609T33.5Very low32.1Very low130 Ų130127.5 Ų127.580%0.79873%0.728SS**  trans-63.5115.8169.635.10000108.9P1607 Q1611P1607-T1609 PolarHBondContact O-N 3.18Å; T1609-Q1611 PolarHBondContact O-N 2.84Å
1610V27.6Very low31.8Very low137 Ų137125.8 Ų125.883%0.8373%0.732SS**  trans-56.6122.5171.7175.90000108.3A1608 A1612A1608-V1610 PolarHBondContact O-N 3.2Å; V1610-A1612 VanDerWaalsContact C-N 3.33Å; V1610-A1612 PolarHBondContact O-N 3.31Å
1611Q27Very low32Very low182 Ų182125.2 Ų125.285%0.8574%0.738SS**  trans-80.585.2-175-155.8147.7-15.600108.7T1609 Q1613T1609-Q1611 PolarHBondContact O-N 2.84Å; Q1611-Q1613 PolarHBondContact O-N 3.39Å
1612A28.4Very low32.4Very low77 Ų77121.6 Ų121.664%0.63674%0.744SS**  trans-61.2106.6179.600000110.1V1610 L1614V1610-A1612 VanDerWaalsContact C-N 3.33Å; V1610-A1612 PolarHBondContact O-N 3.31Å; A1612-L1614 HydrophobicContact CB-CD1 4.1Å; A1612-L1614 PolarHBondContact O-N 2.85Å
1613Q29.2Very low32.5Very low194 Ų194122.5 Ų122.591%0.90774%0.741SS**  trans-75.270.2177.2-67.9179.4-24.300110.6Q1611 G1615Q1611-Q1613 PolarHBondContact O-N 3.39Å; Q1613-G1615 PolarHBondContact O-N 3.46Å
1614L29.2Very low33Very low148 Ų148121.1 Ų121.178%0.77575%0.747SS**  trans-8094.3166.3-9383.3000109.7A1612 G1616A1612-L1614 HydrophobicContact CB-CD1 4.1Å; A1612-L1614 PolarHBondContact O-N 2.85Å; L1614-G1616 PolarHBondContact O-N 2.77Å
1615G26.7Very low33.5Very low81 Ų81125.3 Ų125.384%0.83576%0.758SS**  trans-75112.116000000109.6Q1613Q1613-G1615 PolarHBondContact O-N 3.46Å
1616G31.1Very low34.5Very low47 Ų47124.2 Ų124.249%0.48575%0.753SS.*  trans-174.133.4-174.100000115.1L1614 A1618L1614-G1616 PolarHBondContact O-N 2.77Å; G1616-A1618 PolarHBondContact O-N 3.45Å
1617D31Very low36Very low159 Ų159121.2 Ų121.285%0.8574%0.739SS**THydrogen-bonded Turntrans-69.424.9-162.7-63.8-33.6000117.1
1618A36.6Very low37.3Very low97 Ų97123.1 Ų123.180%0.80274%0.738SS**THydrogen-bonded Turntrans-116.8-25.5-179.900000114.8G1616G1616-A1618 PolarHBondContact O-N 3.45Å
1619A34.7Very low39Very low78 Ų78125 Ų12565%0.64573%0.731SS**SBendtrans-91.4-27.9-172.400000114.5
1620L32.1Very low40.7Very low151 Ų151126.9 Ų126.979%0.79172%0.723SS**G310 helixtrans-83-12.6-168.2-82.8162.3000115.5A1622L1620-A1622 PolarHBondContact O-N 2.79Å
1621Q43.9Very low42.7Very low191 Ų191125.2 Ų125.289%0.89371%0.709SS**G310 helixtrans-75.2-3.5178.5-74.7-168.50.300114.7
1622A44.1Very low44.9Very low89 Ų89120.7 Ų120.774%0.73669%0.694SS**G310 helixtrans-100-18.1-174.500000115.3L1620L1620-A1622 PolarHBondContact O-N 2.79Å
1623I39.2Very low47.2Very low132 Ų132123 Ų12368%0.67769%0.691SS**SBendtrans-128.181.9-169.6-49.9-177.9000112I1627I1623-I1627 HydrophobicContact CG2-CD1 4.45Å
1624G44.9Very low49.3Very low55 Ų55118.7 Ų118.757%0.56767%0.672SS**  trans44.710515000000119.6N1626G1624-N1626 PolarHBondContact O-N 3.36Å
1625E44Very low51.4Low197 Ų197114.7 Ų114.792%0.92166%0.659SS**THydrogen-bonded Turntrans-6147.7172-54.5171.1136.200114.9
1626N55.5Low53.6Low89 Ų89113.2 Ų113.248%0.47664%0.636SS.*THydrogen-bonded Turntrans-149.3-13.2-176.3-120.6-123.7000115.4G1624G1624-N1626 PolarHBondContact O-N 3.36Å
1627I59.6Low55.8Low105 Ų105115.3 Ų115.354%0.53863%0.634SS.*Hα-helixtrans-74.7-42.8176.1-60176.1000110.4I1623 R1630 L1631I1623-I1627 HydrophobicContact CG2-CD1 4.45Å; I1627-R1630 PolarHBondContact O-N 2.99Å; I1627-L1631 HydrophobicContact CG2-CD1 3.84Å; I1627-L1631 HydrophobicContact CG2-CG 4.22Å; I1627-L1631 WeakPolarHBondContact O-CG 3.29Å; I1627-L1631 PolarHBondContact O-N 3.25Å
1628E57.1Low57.9Low155 Ų155110 Ų11072%0.72461%0.612SS**Hα-helixtrans-69.2-38.8-175.6-164.9164.6-152.300113.1R1630 L1631 T1632E1628-R1630 VanDerWaalsContact C-N 3.35Å; E1628-R1630 PolarHBondContact O-N 3.05Å; E1628-L1631 PolarHBondContact O-N 3.34Å; E1628-T1632 WeakPolarHBondContact O-CB 3.28Å; E1628-T1632 WeakPolarHBondContact O-CG2 3.37Å; E1628-T1632 PolarHBondContact O-N 2.82Å; E1628-T1632 PolarHBondContact O-OG1 2.86Å
1629E63.5Low59.7Low130 Ų130113 Ų11361%0.60761%0.607SS**Hα-helixtrans-61.5-42.7172-167.9172.4-147.900111T1632 E1633E1629-T1632 WeakPolarHBondContact CA-OG1 3.33Å; E1629-T1632 PolarHBondContact O-N 3.31Å; E1629-T1632 PolarHBondContact O-OG1 3.05Å; E1629-E1633 WeakPolarHBondContact O-CB 3.35Å; E1629-E1633 PolarHBondContact O-N 2.91Å
1630R69.7Low61.6Low170 Ų170115.9 Ų115.964%0.64261%0.605SS**Hα-helixtrans-68.9-37.9177.3-167.3175.4-175.7-175.81113.1I1627 E1628 Q1634I1627-R1630 PolarHBondContact O-N 2.99Å; E1628-R1630 VanDerWaalsContact C-N 3.35Å; E1628-R1630 PolarHBondContact O-N 3.05Å; R1630-Q1634 WeakPolarHBondContact O-CB 3.25Å; R1630-Q1634 VanDerWaalsContact O-CG 3.23Å; R1630-Q1634 WeakPolarHBondContact O-CG 3.34Å; R1630-Q1634 PolarHBondContact O-N 2.85Å
1631L69.7Low63.7Low103 Ų103114.3 Ų114.354%0.53959%0.592SS.*Hα-helixtrans-68.2-40.7176.2-73.4174000111.7I1627 E1628 A1635I1627-L1631 HydrophobicContact CG2-CD1 3.84Å; I1627-L1631 HydrophobicContact CG2-CG 4.22Å; I1627-L1631 WeakPolarHBondContact O-CG 3.29Å; I1627-L1631 PolarHBondContact O-N 3.25Å; E1628-L1631 PolarHBondContact O-N 3.34Å; L1631-A1635 VanDerWaalsContact O-CB 3.32Å; L1631-A1635 WeakPolarHBondContact O-CB 3.23Å; L1631-A1635 PolarHBondContact O-N 2.85Å
1632T72.8Confident65.1Low86 Ų86110.4 Ų110.453%0.52857%0.573SS.*Hα-helixtrans-70.1-38.517749.20000112.2E1628 E1629 A1635 S1636E1628-T1632 WeakPolarHBondContact O-CB 3.28Å; E1628-T1632 WeakPolarHBondContact O-CG2 3.37Å; E1628-T1632 PolarHBondContact O-N 2.82Å; E1628-T1632 PolarHBondContact O-OG1 2.86Å; E1629-T1632 WeakPolarHBondContact CA-OG1 3.33Å; E1629-T1632 PolarHBondContact O-N 3.31Å; E1629-T1632 PolarHBondContact O-OG1 3.05Å; T1632-A1635 PolarHBondContact O-N 2.7Å; T1632-S1636 WeakPolarHBondContact O-CB 3.31Å; T1632-S1636 PolarHBondContact O-N 2.8Å
1633E76.5Confident66.5Low125 Ų125109.7 Ų109.758%0.58456%0.557SS**Hα-helixtrans-62.4-48.1172.8-171.7170-138.300111.4E1629 A1635 S1636 E1637E1629-E1633 WeakPolarHBondContact O-CB 3.35Å; E1629-E1633 PolarHBondContact O-N 2.91Å; E1633-A1635 PolarHBondContact O-N 3.23Å; E1633-S1636 WeakPolarHBondContact O-CB 3.21Å; E1633-S1636 PolarHBondContact O-N 3.5Å; E1633-S1636 VanDerWaalsContact O-N 3.11Å; E1633-S1636 PolarHBondContact O-OG 2.9Å; E1633-E1637 PolarHBondContact O-N 3.12Å
1634Q73.9Confident68.2Low105 Ų105106.5 Ų106.549%0.49154%0.544SS..Hα-helixtrans-59.6-42.2174.7-76.7178.6-8.600112.8R1630 S1636 E1637 A1638R1630-Q1634 WeakPolarHBondContact O-CB 3.25Å; R1630-Q1634 VanDerWaalsContact O-CG 3.23Å; R1630-Q1634 WeakPolarHBondContact O-CG 3.34Å; R1630-Q1634 PolarHBondContact O-N 2.85Å; Q1634-S1636 VanDerWaalsContact C-N 3.32Å; Q1634-S1636 PolarHBondContact O-N 2.95Å; Q1634-E1637 PolarHBondContact O-N 3.4Å; Q1634-A1638 WeakPolarHBondContact O-CB 3.36Å; Q1634-A1638 PolarHBondContact O-N 3.42Å
1635A72.8Confident69.6Low63 Ų63109.8 Ų109.852%0.52154%0.544SS..Hα-helixtrans-63.3-38.1174.500000111.9L1631 T1632 E1633 K1639L1631-A1635 VanDerWaalsContact O-CB 3.32Å; L1631-A1635 WeakPolarHBondContact O-CB 3.23Å; L1631-A1635 PolarHBondContact O-N 2.85Å; T1632-A1635 PolarHBondContact O-N 2.7Å; E1633-A1635 PolarHBondContact O-N 3.23Å; A1635-K1639 WeakPolarHBondContact O-CB 3.46Å; A1635-K1639 PolarHBondContact O-N 3.25Å
1636S73.6Confident70.8Confident50 Ų50106.3 Ų106.335%0.3553%0.526SS..Hα-helixtrans-65.9-40.117691.20000112.1T1632 E1633 Q1634 K1640T1632-S1636 WeakPolarHBondContact O-CB 3.31Å; T1632-S1636 PolarHBondContact O-N 2.8Å; E1633-S1636 WeakPolarHBondContact O-CB 3.21Å; E1633-S1636 PolarHBondContact O-N 3.5Å; E1633-S1636 VanDerWaalsContact O-N 3.11Å; E1633-S1636 PolarHBondContact O-OG 2.9Å; Q1634-S1636 VanDerWaalsContact C-N 3.32Å; Q1634-S1636 PolarHBondContact O-N 2.95Å; S1636-K1640 VanDerWaalsContact O-CG 3.31Å; S1636-K1640 WeakPolarHBondContact O-CG 3.25Å; S1636-K1640 PolarHBondContact O-N 3.01Å
1637E77.4Confident71.5Confident91 Ų91107.5 Ų107.543%0.42552%0.524SS..Hα-helixtrans-69.2-44.3175.5-74.5-152.1156.600112.3E1633 Q1634 K1639 K1640 K1641E1633-E1637 PolarHBondContact O-N 3.12Å; Q1634-E1637 PolarHBondContact O-N 3.4Å; E1637-K1639 VanDerWaalsContact C-N 3.27Å; E1637-K1639 PolarHBondContact O-N 3.21Å; E1637-K1640 WeakPolarHBondContact O-CB 2.96Å; E1637-K1640 PolarHBondContact O-N 2.82Å; E1637-K1640 VanDerWaalsContact O-N 3.16Å; E1637-K1641 WeakPolarHBondContact O-CB 3.04Å; E1637-K1641 WeakPolarHBondContact O-CG 3.21Å; E1637-K1641 PolarHBondContact O-N 3.49Å; E1637-K1641 IonicContact OE2-NZ 3.72Å; E1637-K1641 PolarHBondContact OE2-NZ 2.95Å
1638A73.8Confident72.2Confident48 Ų48108.3 Ų108.340%0.39753%0.526SS..Hα-helixtrans-58.1-43.4176.600000110.6Q1634 K1641 Q1642Q1634-A1638 WeakPolarHBondContact O-CB 3.36Å; Q1634-A1638 PolarHBondContact O-N 3.42Å; A1638-K1641 PolarHBondContact O-N 3.34Å; A1638-Q1642 WeakPolarHBondContact O-CB 3.16Å; A1638-Q1642 WeakPolarHBondContact O-CG 2.82Å; A1638-Q1642 PolarHBondContact O-N 3.09Å
1639K74.4Confident72.9Confident160 Ų160103.9 Ų103.970%0.69652%0.515SS*.Hα-helixtrans-64.9-38175.7-167.1170.4-174.5172.50112.8A1635 E1637 L1643A1635-K1639 WeakPolarHBondContact O-CB 3.46Å; A1635-K1639 PolarHBondContact O-N 3.25Å; E1637-K1639 VanDerWaalsContact C-N 3.27Å; E1637-K1639 PolarHBondContact O-N 3.21Å; K1639-L1643 WeakPolarHBondContact O-CB 3.47Å; K1639-L1643 PolarHBondContact O-N 3.34Å
1640K75.3Confident73.2Confident139 Ų13999.3 Ų99.360%0.60449%0.493SS*.Hα-helixtrans-64.5-47172.3-73.6166.3-176.6166.20111.7S1636 E1637 L1643 T1644S1636-K1640 VanDerWaalsContact O-CG 3.31Å; S1636-K1640 WeakPolarHBondContact O-CG 3.25Å; S1636-K1640 PolarHBondContact O-N 3.01Å; E1637-K1640 WeakPolarHBondContact O-CB 2.96Å; E1637-K1640 PolarHBondContact O-N 2.82Å; E1637-K1640 VanDerWaalsContact O-N 3.16Å; K1640-L1643 WeakPolarHBondContact O-CB 3.28Å; K1640-L1643 PolarHBondContact O-N 3.01Å; K1640-T1644 PolarHBondContact O-N 2.95Å; K1640-T1644 PolarHBondContact O-OG1 3.27Å
1641K76.4Confident73.1Confident117 Ų11794.6 Ų94.651%0.50949%0.486SS..Hα-helixtrans-63-40.9179.1-72.8168.2-175.4158.50112.1E1637 A1638 T1644 Q1645E1637-K1641 WeakPolarHBondContact O-CB 3.04Å; E1637-K1641 WeakPolarHBondContact O-CG 3.21Å; E1637-K1641 PolarHBondContact O-N 3.49Å; E1637-K1641 IonicContact OE2-NZ 3.72Å; E1637-K1641 PolarHBondContact OE2-NZ 2.95Å; A1638-K1641 PolarHBondContact O-N 3.34Å; K1641-T1644 WeakPolarHBondContact CA-OG1 3.46Å; K1641-T1644 PolarHBondContact O-N 2.91Å; K1641-T1644 PolarHBondContact O-OG1 3.29Å; K1641-Q1645 WeakPolarHBondContact O-CB 3.2Å; K1641-Q1645 WeakPolarHBondContact O-CG 2.96Å; K1641-Q1645 PolarHBondContact O-N 2.82Å
1642Q73.1Confident73.3Confident109 Ų10993.8 Ų93.851%0.50949%0.485SS..Hα-helixtrans-63.6-45.2171-75.3-179-5.600111.5A1638 T1644 Q1645 F1646A1638-Q1642 WeakPolarHBondContact O-CB 3.16Å; A1638-Q1642 WeakPolarHBondContact O-CG 2.82Å; A1638-Q1642 PolarHBondContact O-N 3.09Å; Q1642-T1644 VanDerWaalsContact C-N 3.3Å; Q1642-T1644 PolarHBondContact O-N 3Å; Q1642-Q1645 PolarHBondContact O-N 3.36Å; Q1642-F1646 HydrophobicContact CB-CD2 4.35Å; Q1642-F1646 HydrophobicContact CB-CE2 4.17Å; Q1642-F1646 WeakPolarHBondContact O-CB 3.42Å; Q1642-F1646 WeakPolarHBondContact O-CD2 3.08Å; Q1642-F1646 WeakPolarHBondContact O-CG 3.47Å; Q1642-F1646 PolarHBondContact O-N 2.87Å
1643L73.7Confident73.2Confident75 Ų7594.4 Ų94.439%0.39348%0.482SS..Hα-helixtrans-60.7-37.4178.5-17271.3000112.4K1639 K1640 R1647K1639-L1643 WeakPolarHBondContact O-CB 3.47Å; K1639-L1643 PolarHBondContact O-N 3.34Å; K1640-L1643 WeakPolarHBondContact O-CB 3.28Å; K1640-L1643 PolarHBondContact O-N 3.01Å; L1643-R1647 WeakPolarHBondContact O-CG 2.83Å; L1643-R1647 PolarHBondContact O-N 2.97Å
1644T74.6Confident72.8Confident65 Ų6591.4 Ų91.440%0.39947%0.465SS..Hα-helixtrans-70.1-45.3173.848.50000112K1640 K1641 Q1642 F1646 R1647 E1648K1640-T1644 PolarHBondContact O-N 2.95Å; K1640-T1644 PolarHBondContact O-OG1 3.27Å; K1641-T1644 WeakPolarHBondContact CA-OG1 3.46Å; K1641-T1644 PolarHBondContact O-N 2.91Å; K1641-T1644 PolarHBondContact O-OG1 3.29Å; Q1642-T1644 VanDerWaalsContact C-N 3.3Å; Q1642-T1644 PolarHBondContact O-N 3Å; T1644-F1646 VanDerWaalsContact C-N 3.31Å; T1644-F1646 PolarHBondContact O-N 2.76Å; T1644-R1647 WeakPolarHBondContact O-CA 3.24Å; T1644-R1647 WeakPolarHBondContact O-CB 3.31Å; T1644-R1647 PolarHBondContact O-N 3.48Å; T1644-E1648 PolarHBondContact O-N 3.25Å
1645Q73.4Confident72.7Confident123 Ų12395.3 Ų95.358%0.57548%0.476SS*.Hα-helixtrans-58.3-41.7174.4-75.5175-22.500112.2K1641 Q1642 R1647 E1648 A1649K1641-Q1645 WeakPolarHBondContact O-CB 3.2Å; K1641-Q1645 WeakPolarHBondContact O-CG 2.96Å; K1641-Q1645 PolarHBondContact O-N 2.82Å; Q1642-Q1645 PolarHBondContact O-N 3.36Å; Q1645-R1647 PolarHBondContact O-N 2.64Å; Q1645-E1648 PolarHBondContact O-N 3.16Å; Q1645-A1649 WeakPolarHBondContact O-CB 3.37Å; Q1645-A1649 PolarHBondContact O-N 3.3Å
1646F69.4Low72.5Confident124 Ų12496.3 Ų96.354%0.54447%0.471SS..Hα-helixtrans-65.3-24.3173.9-75-56.9000113.2Q1642 T1644 R1650Q1642-F1646 HydrophobicContact CB-CD2 4.35Å; Q1642-F1646 HydrophobicContact CB-CE2 4.17Å; Q1642-F1646 WeakPolarHBondContact O-CB 3.42Å; Q1642-F1646 WeakPolarHBondContact O-CD2 3.08Å; Q1642-F1646 WeakPolarHBondContact O-CG 3.47Å; Q1642-F1646 PolarHBondContact O-N 2.87Å; T1644-F1646 VanDerWaalsContact C-N 3.31Å; T1644-F1646 PolarHBondContact O-N 2.76Å; F1646-R1650 WeakPolarHBondContact O-CG 3.49Å; F1646-R1650 PolarHBondContact O-NE 2.63Å; F1646-R1650 PolarHBondContact O-NH2 2.9Å
1647R70Confident72.1Confident114 Ų11496.2 Ų96.243%0.4347%0.467SS..Hα-helixtrans-78.2-44.9172-74.8169.9169.4-175.8-5.2110.8L1643 T1644 Q1645 R1650 S1651 P1698L1643-R1647 WeakPolarHBondContact O-CG 2.83Å; L1643-R1647 PolarHBondContact O-N 2.97Å; T1644-R1647 WeakPolarHBondContact O-CA 3.24Å; T1644-R1647 WeakPolarHBondContact O-CB 3.31Å; T1644-R1647 PolarHBondContact O-N 3.48Å; Q1645-R1647 PolarHBondContact O-N 2.64Å; R1647-R1650 PolarHBondContact O-N 3.39Å; R1647-S1651 PolarHBondContact O-N 2.83Å; R1647-P1698 HydrophobicContact CG-CG 4.19Å
1648E74.5Confident71.6Confident122 Ų12295 Ų9557%0.5747%0.472SS*.Hα-helixtrans-61.7-50.2178.4-71.8167.3179.900112T1644 Q1645 R1650 S1651 V1652T1644-E1648 PolarHBondContact O-N 3.25Å; Q1645-E1648 PolarHBondContact O-N 3.16Å; E1648-R1650 VanDerWaalsContact C-N 3.27Å; E1648-R1650 PolarHBondContact O-N 2.9Å; E1648-S1651 CarbonylContact O-C 3.58Å; E1648-S1651 WeakPolarHBondContact O-CA 3.32Å; E1648-S1651 WeakPolarHBondContact O-CB 3.47Å; E1648-S1651 PolarHBondContact O-N 2.87Å; E1648-V1652 WeakPolarHBondContact O-CG2 3.16Å; E1648-V1652 PolarHBondContact O-N 3.26Å
1649A71.5Confident71.3Confident62 Ų62100 Ų10051%0.51249%0.487SS..Hα-helixtrans-58.1-38.5177.200000112.4Q1645 V1652 Q1653Q1645-A1649 WeakPolarHBondContact O-CB 3.37Å; Q1645-A1649 PolarHBondContact O-N 3.3Å; A1649-V1652 PolarHBondContact O-N 2.81Å; A1649-Q1653 WeakPolarHBondContact O-CB 3.49Å; A1649-Q1653 PolarHBondContact O-N 3.46Å
1650R69.9Low70.6Confident34 Ų3497.8 Ų97.813%0.12848%0.478CS..Hα-helixtrans-68.3-37.6173-81.9-177.1-75.8-157.4-9.7112.7F1646 R1647 E1648 V1652 Q1653 R1654 E1697F1646-R1650 WeakPolarHBondContact O-CG 3.49Å; F1646-R1650 PolarHBondContact O-NE 2.63Å; F1646-R1650 PolarHBondContact O-NH2 2.9Å; R1647-R1650 PolarHBondContact O-N 3.39Å; E1648-R1650 VanDerWaalsContact C-N 3.27Å; E1648-R1650 PolarHBondContact O-N 2.9Å; R1650-V1652 VanDerWaalsContact C-N 3.34Å; R1650-Q1653 PolarHBondContact O-N 2.67Å; R1650-R1654 WeakPolarHBondContact O-CB 3.3Å; R1650-R1654 WeakPolarHBondContact O-CG 3.49Å; R1650-R1654 PolarHBondContact O-N 3.08Å; R1650-E1697 IonicContact CZ-OE2 2.73Å; R1650-E1697 IonicContact NH1-OE2 2.83Å; R1650-E1697 PolarHBondContact NH1-OE2 3.41Å
1651S68.4Low69.8Low72 Ų7294.8 Ų94.850%0.50347%0.466SS..Hα-helixtrans-64.3-39.3174.8-1690000111.8R1647 E1648 R1655R1647-S1651 PolarHBondContact O-N 2.83Å; E1648-S1651 CarbonylContact O-C 3.58Å; E1648-S1651 WeakPolarHBondContact O-CA 3.32Å; E1648-S1651 WeakPolarHBondContact O-CB 3.47Å; E1648-S1651 PolarHBondContact O-N 2.87Å; S1651-R1655 PolarHBondContact O-N 3.32Å
1652V74.9Confident68.9Low86 Ų8695.2 Ų95.252%0.52147%0.474SS..Hα-helixtrans-66.4-50175173.70000110.6E1648 A1649 R1650 R1654 R1655 L1656E1648-V1652 WeakPolarHBondContact O-CG2 3.16Å; E1648-V1652 PolarHBondContact O-N 3.26Å; A1649-V1652 PolarHBondContact O-N 2.81Å; R1650-V1652 VanDerWaalsContact C-N 3.34Å; V1652-R1654 VanDerWaalsContact C-N 3.28Å; V1652-R1654 PolarHBondContact O-N 2.78Å; V1652-R1655 PolarHBondContact O-N 3.41Å; V1652-R1655 VanDerWaalsContact O-N 3.13Å; V1652-L1656 HydrophobicContact CG1-CD1 4.24Å; V1652-L1656 WeakPolarHBondContact O-CG 3.27Å; V1652-L1656 PolarHBondContact O-N 3.29Å; V1652-L1656 VanDerWaalsContact O-N 3.08Å
1653Q69.1Low68.4Low98 Ų9896.5 Ų96.546%0.45848%0.483SS..Hα-helixtrans-55.1-44.1176.5-175.7179.9-3.300111.6A1649 R1650 L1656 L1657A1649-Q1653 WeakPolarHBondContact O-CB 3.49Å; A1649-Q1653 PolarHBondContact O-N 3.46Å; R1650-Q1653 PolarHBondContact O-N 2.67Å; Q1653-L1656 PolarHBondContact O-N 3.09Å; Q1653-L1657 HydrophobicContact CG-CD1 3.94Å; Q1653-L1657 VanDerWaalsContact O-CD1 3.29Å; Q1653-L1657 WeakPolarHBondContact O-CD1 3.06Å; Q1653-L1657 VanDerWaalsContact O-CG 3.28Å; Q1653-L1657 WeakPolarHBondContact O-CG 3.37Å; Q1653-L1657 PolarHBondContact O-N 3.5Å; Q1653-L1657 VanDerWaalsContact O-N 3.14Å
1654R69.3Low67.9Low63 Ų63100.8 Ų100.824%0.23850%0.501CS..Hα-helixtrans-61.9-44.6175.6-81.1172.6165.7-125.121.8113.4R1650 V1652 L1656 L1657 A1658 A1700 A1701 E1703R1650-R1654 WeakPolarHBondContact O-CB 3.3Å; R1650-R1654 WeakPolarHBondContact O-CG 3.49Å; R1650-R1654 PolarHBondContact O-N 3.08Å; V1652-R1654 VanDerWaalsContact C-N 3.28Å; V1652-R1654 PolarHBondContact O-N 2.78Å; R1654-L1656 VanDerWaalsContact C-N 3.34Å; R1654-L1656 PolarHBondContact O-N 2.82Å; R1654-L1657 PolarHBondContact O-N 2.76Å; R1654-A1658 WeakPolarHBondContact O-CB 3.1Å; R1654-A1658 PolarHBondContact O-N 2.76Å; R1654-A1700 VanDerWaalsContact NH2-CA 3.29Å; R1654-A1700 VanDerWaalsContact NH2-CB 3.29Å; R1654-A1700 VanDerWaalsContact NH2-N 3.14Å; R1654-A1700 PolarHBondContact NH2-O 2.76Å; R1654-A1701 PolarHBondContact NH1-O 2.94Å; R1654-E1703 IonicContact CZ-OE1 2.78Å; R1654-E1703 IonicContact CZ-OE2 3.7Å; R1654-E1703 IonicContact NE-OE1 3.31Å; R1654-E1703 PolarHBondContact NE-OE1 3.24Å; R1654-E1703 IonicContact NE-OE2 3.04Å; R1654-E1703 IonicContact NH2-OE1 3.11Å; R1654-E1703 IonicContact NH2-OE2 3.39Å; R1654-E1703 PolarHBondContact NH2-OE2 3.15Å
1655R71.5Confident67.5Low187 Ų187101.2 Ų101.271%0.70650%0.504SS*.Hα-helixtrans-59.5-47.1178.9-178.5178.1-74.8164.6-4.4110.8S1651 V1652 L1657 A1658 E1659S1651-R1655 PolarHBondContact O-N 3.32Å; V1652-R1655 PolarHBondContact O-N 3.41Å; V1652-R1655 VanDerWaalsContact O-N 3.13Å; R1655-L1657 VanDerWaalsContact C-N 3.3Å; R1655-L1657 PolarHBondContact O-N 3.33Å; R1655-A1658 PolarHBondContact O-N 3.42Å; R1655-E1659 PolarHBondContact O-N 3.45Å; R1655-E1659 VanDerWaalsContact O-N 3.13Å
1656L67.4Low67.2Low83 Ų8395.6 Ų95.644%0.43548%0.478SS..Hα-helixtrans-58.3-41.8176.9-67171.1000112V1652 Q1653 R1654 E1659 F1660V1652-L1656 HydrophobicContact CG1-CD1 4.24Å; V1652-L1656 WeakPolarHBondContact O-CG 3.27Å; V1652-L1656 PolarHBondContact O-N 3.29Å; V1652-L1656 VanDerWaalsContact O-N 3.08Å; Q1653-L1656 PolarHBondContact O-N 3.09Å; R1654-L1656 VanDerWaalsContact C-N 3.34Å; R1654-L1656 PolarHBondContact O-N 2.82Å; L1656-E1659 PolarHBondContact O-N 2.98Å; L1656-F1660 WeakPolarHBondContact O-CD2 3.41Å
1657L67Low67.5Low49 Ų4990.4 Ų90.426%0.25746%0.456SS..Hα-helixtrans-71.9-37-179.4-70.7160.5000113.7Q1653 R1654 R1655 E1659 F1660 Q1673Q1653-L1657 HydrophobicContact CG-CD1 3.94Å; Q1653-L1657 VanDerWaalsContact O-CD1 3.29Å; Q1653-L1657 WeakPolarHBondContact O-CD1 3.06Å; Q1653-L1657 VanDerWaalsContact O-CG 3.28Å; Q1653-L1657 WeakPolarHBondContact O-CG 3.37Å; Q1653-L1657 PolarHBondContact O-N 3.5Å; Q1653-L1657 VanDerWaalsContact O-N 3.14Å; R1654-L1657 PolarHBondContact O-N 2.76Å; R1655-L1657 VanDerWaalsContact C-N 3.3Å; R1655-L1657 PolarHBondContact O-N 3.33Å; L1657-E1659 PolarHBondContact O-N 3.39Å; L1657-F1660 PolarHBondContact O-N 2.88Å; L1657-Q1673 VanDerWaalsContact CD1-CD 3.45Å; L1657-Q1673 VanDerWaalsContact CD1-NE2 3.32Å; L1657-Q1673 VanDerWaalsContact CD2-NE2 3.28Å
1658A65.3Low67.9Low64 Ų6488.3 Ų88.353%0.52945%0.453SS..Hα-helixtrans-66.9-28.4175.400000112R1654 R1655 F1660 Q1661R1654-A1658 WeakPolarHBondContact O-CB 3.1Å; R1654-A1658 PolarHBondContact O-N 2.76Å; R1655-A1658 PolarHBondContact O-N 3.42Å; A1658-F1660 VanDerWaalsContact C-N 3.29Å; A1658-F1660 PolarHBondContact O-N 2.9Å; A1658-Q1661 WeakPolarHBondContact O-CB 3.21Å; A1658-Q1661 PolarHBondContact O-N 2.81Å
1659E67.8Low67.9Low154 Ų15484.8 Ų84.872%0.7244%0.438SS*.Hα-helixtrans-72.2-20177.8-164.6163.3-170.900113.2R1655 L1656 L1657R1655-E1659 PolarHBondContact O-N 3.45Å; R1655-E1659 VanDerWaalsContact O-N 3.13Å; L1656-E1659 PolarHBondContact O-N 2.98Å; L1657-E1659 PolarHBondContact O-N 3.39Å
1660F60.1Low68.1Low114 Ų11483.7 Ų83.750%0.542%0.422SS..THydrogen-bonded Turntrans-95.37.4172.9-67.9-69000114I498 L1656 L1657 A1658 D1662I498-F1660 HydrophobicContact CD1-CZ 4.37Å; I498-F1660 HydrophobicContact CG2-CZ 4.46Å; L1656-F1660 WeakPolarHBondContact O-CD2 3.41Å; L1657-F1660 PolarHBondContact O-N 2.88Å; A1658-F1660 VanDerWaalsContact C-N 3.29Å; A1658-F1660 PolarHBondContact O-N 2.9Å; F1660-D1662 PolarHBondContact O-N 2.73Å
1661Q58.1Low68.5Low75 Ų7582.2 Ų82.235%0.3542%0.416SS..  trans-96.593-163.1-177.9149.520.700114.3A1658A1658-Q1661 WeakPolarHBondContact O-CB 3.21Å; A1658-Q1661 PolarHBondContact O-N 2.81Å
1662D58.7Low68.8Low126 Ų12680.8 Ų80.867%0.67440%0.403SS*.  trans-67.8144.3142.5-76.3-35.4000109.1F1660 E1664 T1665 G1666F1660-D1662 PolarHBondContact O-N 2.73Å; D1662-E1664 VanDerWaalsContact C-N 3.32Å; D1662-E1664 PolarHBondContact O-N 3.44Å; D1662-E1664 VanDerWaalsContact O-N 3.16Å; D1662-T1665 PolarHBondContact O-N 3.4Å; D1662-T1665 VanDerWaalsContact O-N 3.14Å; D1662-G1666 PolarHBondContact O-N 3.35Å
1663I62.4Low68.8Low136 Ų13679.2 Ų79.270%0.69739%0.39SS*.Hα-helixtrans-51.2-47.9-165-62.4175.3000112.5
1664E63.5Low68.9Low166 Ų16675.6 Ų75.678%0.77637%0.374SS*.Hα-helixtrans-76.1-43.5-178.7-59.9-176.717300112.5D1662 G1666 D1667 L1668D1662-E1664 VanDerWaalsContact C-N 3.32Å; D1662-E1664 PolarHBondContact O-N 3.44Å; D1662-E1664 VanDerWaalsContact O-N 3.16Å; E1664-G1666 PolarHBondContact O-N 3.35Å; E1664-D1667 PolarHBondContact O-N 2.79Å; E1664-L1668 PolarHBondContact O-N 3.23Å
1665T64.7Low69.2Low74 Ų7477.5 Ų77.545%0.45438%0.384SS..Hα-helixtrans-66.1-41.5-175.5-47.80000111.8D1662 D1667 L1668 L1669D1662-T1665 PolarHBondContact O-N 3.4Å; D1662-T1665 VanDerWaalsContact O-N 3.14Å; T1665-D1667 PolarHBondContact O-N 3.01Å; T1665-L1668 PolarHBondContact O-N 3.17Å; T1665-L1669 HydrophobicContact CG2-CD1 4.39Å; T1665-L1669 WeakPolarHBondContact O-CG 3.38Å; T1665-L1669 PolarHBondContact O-N 3.32Å
1666G67.8Low69.2Low4 Ų477.3 Ų77.34%0.04139%0.388CS..Hα-helixtrans-68.5-32.5-179.700000113.5D1662 E1664 L1669 K1670D1662-G1666 PolarHBondContact O-N 3.35Å; E1664-G1666 PolarHBondContact O-N 3.35Å; G1666-L1669 PolarHBondContact O-N 3.13Å; G1666-K1670 WeakPolarHBondContact O-CB 3.45Å; G1666-K1670 PolarHBondContact O-N 3.08Å
1667D75.5Confident69.7Low16 Ų1679.5 Ų79.59%0.08639%0.391CS..Hα-helixtrans-63.6-43.4171.4-86.5-19.3000111.1E1664 T1665 L1669 K1670 F1671 M1704 K1767 I1769 Y1780E1664-D1667 PolarHBondContact O-N 2.79Å; T1665-D1667 PolarHBondContact O-N 3.01Å; D1667-L1669 PolarHBondContact O-N 2.61Å; D1667-K1670 PolarHBondContact O-N 2.75Å; D1667-F1671 WeakPolarHBondContact O-CB 3.13Å; D1667-F1671 PolarHBondContact O-N 3.07Å; D1667-M1704 HydrophobicContact CB-CE 4.4Å; D1667-M1704 WeakPolarHBondContact O-CE 3.44Å; D1667-K1767 IonicContact OD1-NZ 3.53Å; D1667-K1767 WeakPolarHBondContact OD2-CE 3.13Å; D1667-K1767 IonicContact OD2-NZ 3.73Å; D1667-K1767 PolarHBondContact OD2-NZ 2.83Å; D1667-I1769 HydrophobicContact CB-CG2 4.32Å; D1667-Y1780 PolarHBondContact OD1-OH 2.88Å; D1667-Y1780 PolarHBondContact OD2-OH 2.95Å
1668L78.7Confident70.6Confident70 Ų7085 Ų8537%0.36641%0.413SS..Hα-helixtrans-63.9-40.3175.5-175.961.5000112.4E1664 T1665 K1670 F1671 N1672 V1771E1664-L1668 PolarHBondContact O-N 3.23Å; T1665-L1668 PolarHBondContact O-N 3.17Å; L1668-K1670 VanDerWaalsContact C-N 3.31Å; L1668-K1670 PolarHBondContact O-N 2.8Å; L1668-F1671 PolarHBondContact O-N 3.27Å; L1668-N1672 PolarHBondContact O-N 3.42Å; L1668-N1672 VanDerWaalsContact O-N 3.13Å; L1668-N1672 PolarHBondContact O-ND2 2.74Å; L1668-V1771 HydrophobicContact CD1-CB 4.29Å; L1668-V1771 HydrophobicContact CD1-CG1 3.82Å; L1668-V1771 HydrophobicContact CD1-CG2 4.06Å
1669L73.5Confident71.7Confident47 Ų4783.2 Ų83.225%0.24639%0.393CS..Hα-helixtrans-64.1-36175.3-69.4175.7000112.4T1665 G1666 D1667 Q1673T1665-L1669 HydrophobicContact CG2-CD1 4.39Å; T1665-L1669 WeakPolarHBondContact O-CG 3.38Å; T1665-L1669 PolarHBondContact O-N 3.32Å; G1666-L1669 PolarHBondContact O-N 3.13Å; D1667-L1669 PolarHBondContact O-N 2.61Å; L1669-Q1673 WeakPolarHBondContact O-CG 3.23Å; L1669-Q1673 PolarHBondContact O-N 2.87Å; L1669-Q1673 PolarHBondContact O-NE2 2.77Å
1670K76.2Confident72.8Confident39 Ų3981.3 Ų81.317%0.1738%0.384CS..Hα-helixtrans-76.4-35.5179.5-165.8178.3-176.2175.40112.3G1666 D1667 L1668 N1672 Q1673 L1674 E1702 M1704 Y1780G1666-K1670 WeakPolarHBondContact O-CB 3.45Å; G1666-K1670 PolarHBondContact O-N 3.08Å; D1667-K1670 PolarHBondContact O-N 2.75Å; L1668-K1670 VanDerWaalsContact C-N 3.31Å; L1668-K1670 PolarHBondContact O-N 2.8Å; K1670-N1672 VanDerWaalsContact C-N 3.34Å; K1670-Q1673 WeakPolarHBondContact O-CB 3.17Å; K1670-Q1673 PolarHBondContact O-N 3.42Å; K1670-L1674 PolarHBondContact O-N 2.84Å; K1670-L1674 VanDerWaalsContact O-N 3.1Å; K1670-E1702 WeakPolarHBondContact CE-O 3.4Å; K1670-E1702 PolarHBondContact NZ-O 3.02Å; K1670-M1704 HydrophobicContact CB-CE 4.07Å; K1670-M1704 HydrophobicContact CB-SD 3.91Å; K1670-M1704 HydrophobicContact CD-CE 4.38Å; K1670-M1704 HydrophobicContact CD-CG 3.94Å; K1670-M1704 HydrophobicContact CD-SD 4.22Å; K1670-M1704 HydrophobicContact CG-CE 4.31Å; K1670-M1704 HydrophobicContact CG-CG 3.9Å; K1670-M1704 HydrophobicContact CG-SD 3.72Å; K1670-Y1780 HydrophobicContact CD-CE1 4.46Å
1671F78Confident74.4Confident3 Ų377.2 Ų77.21%0.01337%0.367CS..Hα-helixtrans-61.3-44.4171.3-176.5-107.8000111.4D1667 L1668 Q1673 L1674 K1675 M1704 E1707 I1769 V1771 K1776 V1778D1667-F1671 WeakPolarHBondContact O-CB 3.13Å; D1667-F1671 PolarHBondContact O-N 3.07Å; L1668-F1671 PolarHBondContact O-N 3.27Å; F1671-Q1673 VanDerWaalsContact C-N 3.32Å; F1671-Q1673 PolarHBondContact O-N 3.03Å; F1671-L1674 PolarHBondContact O-N 3Å; F1671-L1674 VanDerWaalsContact O-N 3.16Å; F1671-K1675 HydrophobicContact CD1-CD 4.29Å; F1671-K1675 HydrophobicContact CE1-CD 3.9Å; F1671-K1675 VanDerWaalsContact CE1-CE 3.41Å; F1671-K1675 HydrophobicContact CE1-CG 4.24Å; F1671-K1675 PolarHBondContact O-N 2.88Å; F1671-M1704 VanDerWaalsContact CA-SD 3.55Å; F1671-M1704 HydrophobicContact CB-CE 3.97Å; F1671-M1704 HydrophobicContact CB-SD 4.17Å; F1671-M1704 PolarHBondContact N-SD 3.3Å; F1671-E1707 HydrophobicContact CE2-CB 4.45Å; F1671-E1707 HydrophobicContact CE2-CG 4.34Å; F1671-E1707 WeakPolarHBondContact CE2-OE2 3.45Å; F1671-E1707 VanDerWaalsContact CZ-OE2 3.28Å; F1671-E1707 WeakPolarHBondContact CZ-OE2 3.5Å; F1671-I1769 HydrophobicContact CB-CD1 3.94Å; F1671-I1769 HydrophobicContact CD2-CD1 3.54Å; F1671-I1769 HydrophobicContact CE2-CD1 4.23Å; F1671-I1769 HydrophobicContact CG-CD1 3.82Å; F1671-V1771 HydrophobicContact CB-CG2 4.48Å; F1671-V1771 HydrophobicContact CD1-CB 4.24Å; F1671-V1771 HydrophobicContact CD1-CG1 3.74Å; F1671-V1771 HydrophobicContact CD1-CG2 3.6Å; F1671-V1771 HydrophobicContact CE1-CB 4.17Å; F1671-V1771 HydrophobicContact CE1-CG1 3.67Å; F1671-V1771 HydrophobicContact CE1-CG2 3.87Å; F1671-V1771 HydrophobicContact CG-CG2 3.95Å; F1671-V1771 HydrophobicContact CZ-CG2 4.46Å; F1671-K1776 HydrophobicContact CE1-CD 4.24Å; F1671-K1776 HydrophobicContact CE2-CD 4.22Å; F1671-K1776 HydrophobicContact CZ-CD 3.66Å; F1671-V1778 HydrophobicContact CD2-CG2 4.06Å; F1671-V1778 HydrophobicContact CE2-CG2 4.11Å
1672N74.8Confident76.1Confident43 Ų4377.3 Ų77.323%0.2337%0.369CS..Hα-helixtrans-62.1-38.7175.2-73.7-50.8000112L1668 K1670 L1674 K1675 F1676L1668-N1672 PolarHBondContact O-N 3.42Å; L1668-N1672 VanDerWaalsContact O-N 3.13Å; L1668-N1672 PolarHBondContact O-ND2 2.74Å; K1670-N1672 VanDerWaalsContact C-N 3.34Å; N1672-L1674 VanDerWaalsContact C-N 3.34Å; N1672-L1674 PolarHBondContact O-N 3.35Å; N1672-K1675 WeakPolarHBondContact O-CB 3.34Å; N1672-K1675 PolarHBondContact O-N 3.44Å; N1672-K1675 VanDerWaalsContact O-N 3.16Å; N1672-F1676 HydrophobicContact CB-CE2 4.41Å; N1672-F1676 WeakPolarHBondContact O-CD2 3.08Å; N1672-F1676 PolarHBondContact O-N 3.03Å
1673Q75.1Confident77.7Confident52 Ų5274.7 Ų74.724%0.24335%0.352CS..Hα-helixtrans-61.8-37.9173.5-71.7164.264.300113.4L1657 L1669 K1670 F1671 F1676 R1677L1657-Q1673 VanDerWaalsContact CD1-CD 3.45Å; L1657-Q1673 VanDerWaalsContact CD1-NE2 3.32Å; L1657-Q1673 VanDerWaalsContact CD2-NE2 3.28Å; L1669-Q1673 WeakPolarHBondContact O-CG 3.23Å; L1669-Q1673 PolarHBondContact O-N 2.87Å; L1669-Q1673 PolarHBondContact O-NE2 2.77Å; K1670-Q1673 WeakPolarHBondContact O-CB 3.17Å; K1670-Q1673 PolarHBondContact O-N 3.42Å; F1671-Q1673 VanDerWaalsContact C-N 3.32Å; F1671-Q1673 PolarHBondContact O-N 3.03Å; Q1673-F1676 PolarHBondContact O-N 3.22Å; Q1673-R1677 PolarHBondContact O-N 2.93Å
1674L72.5Confident79.1Confident23 Ų2369.4 Ų69.412%0.1233%0.328CS..Hα-helixtrans-66.6-36.2172.9-81.5-164.2000113K1670 F1671 N1672 F1676 R1677 K1678 K1679 M1704K1670-L1674 PolarHBondContact O-N 2.84Å; K1670-L1674 VanDerWaalsContact O-N 3.1Å; F1671-L1674 PolarHBondContact O-N 3Å; F1671-L1674 VanDerWaalsContact O-N 3.16Å; N1672-L1674 VanDerWaalsContact C-N 3.34Å; N1672-L1674 PolarHBondContact O-N 3.35Å; L1674-F1676 VanDerWaalsContact C-N 3.31Å; L1674-F1676 PolarHBondContact O-N 3.46Å; L1674-R1677 CarbonylContact O-C 3.6Å; L1674-K1678 PolarHBondContact O-N 3.3Å; L1674-K1679 HydrophobicContact CD2-CD 4.42Å; L1674-K1679 HydrophobicContact CD2-CG 3.89Å; L1674-M1704 HydrophobicContact CD1-CB 3.34Å; L1674-M1704 HydrophobicContact CD1-CG 4.4Å; L1674-M1704 HydrophobicContact CD1-SD 4.23Å; L1674-M1704 HydrophobicContact CG-CB 3.91Å; L1674-M1704 HydrophobicContact CG-SD 4.48Å
1675K74.3Confident80.6Confident102 Ų10267.6 Ų67.644%0.44332%0.318SS..Hα-helixtrans-58.4-43.1171.6-80.9177.3161.1174.70111F1671 N1672 E1772F1671-K1675 HydrophobicContact CD1-CD 4.29Å; F1671-K1675 HydrophobicContact CE1-CD 3.9Å; F1671-K1675 VanDerWaalsContact CE1-CE 3.41Å; F1671-K1675 HydrophobicContact CE1-CG 4.24Å; F1671-K1675 PolarHBondContact O-N 2.88Å; N1672-K1675 WeakPolarHBondContact O-CB 3.34Å; N1672-K1675 PolarHBondContact O-N 3.44Å; N1672-K1675 VanDerWaalsContact O-N 3.16Å; K1675-E1772 IonicContact NZ-OE1 2.74Å; K1675-E1772 PolarHBondContact NZ-OE1 3.49Å
1676F71.6Confident81.9Confident183 Ų18364.6 Ų64.680%0.80330%0.3SS*.Hα-helixtrans-76.4-38.6178.2-67.5-63.2000114.2N1672 Q1673 L1674N1672-F1676 HydrophobicContact CB-CE2 4.41Å; N1672-F1676 WeakPolarHBondContact O-CD2 3.08Å; N1672-F1676 PolarHBondContact O-N 3.03Å; Q1673-F1676 PolarHBondContact O-N 3.22Å; L1674-F1676 VanDerWaalsContact C-N 3.31Å; L1674-F1676 PolarHBondContact O-N 3.46Å
1677R77.4Confident83Confident130 Ų13070.2 Ų70.249%0.49134%0.336SS..SBendtrans-136.9101.2179.9-179.6-178.9166.3168.8-1.7110.4Q1673 L1674 E1697Q1673-R1677 PolarHBondContact O-N 2.93Å; L1674-R1677 CarbonylContact O-C 3.6Å; R1677-E1697 IonicContact NH2-OE2 2.62Å; R1677-E1697 PolarHBondContact NH2-OE2 3.45Å; R1677-E1697 VanDerWaalsContact NH2-OE2 3.14Å
1678K86.3Confident83.8Confident165 Ų16570.9 Ų70.972%0.71734%0.339SS*.  trans-63.4148.6170-63.6177.3-177.3173.60110.5L1674L1674-K1678 PolarHBondContact O-N 3.3Å
1679K88.8Confident84.1Confident25 Ų2569.3 Ų69.311%0.10933%0.33CS..  trans-71.8142.5171.4-63.2-64.4175.7175.20110.5L1674 L1681 E1697 E1703 V1705L1674-K1679 HydrophobicContact CD2-CD 4.42Å; L1674-K1679 HydrophobicContact CD2-CG 3.89Å; K1679-L1681 HydrophobicContact CB-CD1 4.12Å; K1679-L1681 HydrophobicContact CB-CG 4.05Å; K1679-L1681 PolarHBondContact O-N 3.08Å; K1679-L1681 VanDerWaalsContact O-N 3.1Å; K1679-E1697 VanDerWaalsContact CA-OE1 3.3Å; K1679-E1697 WeakPolarHBondContact CA-OE1 3.39Å; K1679-E1697 VanDerWaalsContact CD-OE1 3.31Å; K1679-E1697 WeakPolarHBondContact CD-OE1 3.31Å; K1679-E1703 VanDerWaalsContact CE-CD 3.49Å; K1679-E1703 WeakPolarHBondContact CE-OE2 3.21Å; K1679-E1703 IonicContact NZ-OE1 3.51Å; K1679-E1703 PolarHBondContact NZ-OE1 3.29Å; K1679-E1703 IonicContact NZ-OE2 3.96Å; K1679-E1703 PolarHBondContact NZ-OE2 3.4Å; K1679-V1705 WeakPolarHBondContact CG-O 3.25Å
1680Q89.9Confident84.8Confident114 Ų11469 Ų6953%0.53333%0.334SS..  trans-75.3102.6176.8-60-66.264.700109.6L1696 E1697Q1680-L1696 HydrophobicContact CB-CB 3.97Å; Q1680-L1696 WeakPolarHBondContact O-CB 3.39Å; Q1680-L1696 PolarHBondContact O-N 3Å; Q1680-E1697 HydrophobicContact CB-CB 4.23Å; Q1680-E1697 HydrophobicContact CB-CG 4.06Å; Q1680-E1697 PolarHBondContact N-OE1 3Å
1681L94.4Very high85.6Confident29 Ų2972.1 Ų72.115%0.15235%0.345CS..EExtended strand (participates in β ladder)trans-132.1140-175.2-61170000109.1K1679 L1693 I1694 A1695 I1699 V1705 I1706 I1791K1679-L1681 HydrophobicContact CB-CD1 4.12Å; K1679-L1681 HydrophobicContact CB-CG 4.05Å; K1679-L1681 PolarHBondContact O-N 3.08Å; K1679-L1681 VanDerWaalsContact O-N 3.1Å; L1681-L1693 HydrophobicContact CB-CD1 3.89Å; L1681-L1693 HydrophobicContact CB-CG 4.16Å; L1681-L1693 HydrophobicContact CD1-CD2 4.02Å; L1681-L1693 HydrophobicContact CD1-CG 4.45Å; L1681-I1694 CarbonylContact C-O 3.6Å; L1681-I1694 WeakPolarHBondContact CA-O 3.46Å; L1681-A1695 HydrophobicContact CD2-CB 4.45Å; L1681-I1699 HydrophobicContact CD2-CD1 4.1Å; L1681-V1705 HydrophobicContact CD1-CG1 3.82Å; L1681-V1705 HydrophobicContact CD2-CG1 4.18Å; L1681-I1706 HydrophobicContact CD1-CB 4.15Å; L1681-I1706 HydrophobicContact CD1-CD1 4.24Å; L1681-I1791 HydrophobicContact CD2-CD1 4.45Å; L1681-I1791 HydrophobicContact CD2-CG1 4.11Å
1682I93.8Very high86.4Confident76 Ų7672 Ų7239%0.3934%0.344SS..EExtended strand (participates in β ladder)trans-119.9136.5178.3-168.1166.6000111.7I1694 L1696I1682-I1694 HydrophobicContact CG2-CB 3.86Å; I1682-I1694 HydrophobicContact CG2-CG2 4.42Å; I1682-I1694 PolarHBondContact N-O 2.76Å; I1682-I1694 PolarHBondContact O-N 3.18Å; I1682-L1696 HydrophobicContact CB-CD1 3.95Å; I1682-L1696 HydrophobicContact CB-CD2 4.3Å; I1682-L1696 HydrophobicContact CB-CG 4.03Å; I1682-L1696 HydrophobicContact CG2-CD1 4.34Å; I1682-L1696 HydrophobicContact CG2-CD2 3.76Å; I1682-L1696 HydrophobicContact CG2-CG 3.91Å
1683F93.4Very high87.4Confident72 Ų7270 Ų7032%0.31633%0.333SS..EExtended strand (participates in β ladder)trans-78.2120167.8170.2-97.6000109W1691 F1755F1683-W1691 AromaticContact CD1-CE3 3.98Å; F1683-W1691 HydrophobicContact CD1-CE3 3.98Å; F1683-W1691 HydrophobicContact CD1-CZ3 4.33Å; F1683-W1691 HydrophobicContact CD2-CB 4.15Å; F1683-W1691 AromaticContact CE1-CD2 3.62Å; F1683-W1691 HydrophobicContact CE1-CD2 3.62Å; F1683-W1691 AromaticContact CE1-CE3 3.36Å; F1683-W1691 HydrophobicContact CE1-CE3 3.36Å; F1683-W1691 HydrophobicContact CE1-CG 4.12Å; F1683-W1691 HydrophobicContact CE1-CH2 4.35Å; F1683-W1691 AromaticContact CE1-CZ3 3.77Å; F1683-W1691 HydrophobicContact CE1-CZ3 3.77Å; F1683-W1691 HydrophobicContact CE2-CB 3.31Å; F1683-W1691 HydrophobicContact CE2-CD2 4.03Å; F1683-W1691 HydrophobicContact CE2-CE3 4.21Å; F1683-W1691 AromaticContact CE2-CG 3.66Å; F1683-W1691 HydrophobicContact CE2-CG 3.66Å; F1683-W1691 HydrophobicContact CZ-CB 3.55Å; F1683-W1691 AromaticContact CZ-CD1 3.87Å; F1683-W1691 AromaticContact CZ-CD2 3.29Å; F1683-W1691 HydrophobicContact CZ-CD2 3.29Å; F1683-W1691 AromaticContact CZ-CE2 3.95Å; F1683-W1691 AromaticContact CZ-CE3 3.52Å; F1683-W1691 HydrophobicContact CZ-CE3 3.52Å; F1683-W1691 AromaticContact CZ-CG 3.3Å; F1683-W1691 HydrophobicContact CZ-CG 3.3Å; F1683-W1691 HydrophobicContact CZ-CZ3 4.34Å; F1683-F1755 HydrophobicContact CD2-CB 3.97Å; F1683-F1755 HydrophobicContact CD2-CD1 4.37Å; F1683-F1755 AromaticContact CD2-CD2 3.41Å; F1683-F1755 HydrophobicContact CD2-CD2 3.41Å; F1683-F1755 VanDerWaalsContact CD2-CD2 3.41Å; F1683-F1755 AromaticContact CD2-CE2 3.89Å; F1683-F1755 HydrophobicContact CD2-CE2 3.89Å; F1683-F1755 AromaticContact CD2-CG 3.67Å; F1683-F1755 HydrophobicContact CD2-CG 3.67Å; F1683-F1755 HydrophobicContact CE2-CB 4.03Å; F1683-F1755 AromaticContact CE2-CD1 3.7Å; F1683-F1755 HydrophobicContact CE2-CD1 3.7Å; F1683-F1755 AromaticContact CE2-CD2 3.51Å; F1683-F1755 HydrophobicContact CE2-CD2 3.51Å; F1683-F1755 AromaticContact CE2-CE1 3.92Å; F1683-F1755 HydrophobicContact CE2-CE1 3.92Å; F1683-F1755 AromaticContact CE2-CE2 3.74Å; F1683-F1755 HydrophobicContact CE2-CE2 3.74Å; F1683-F1755 AromaticContact CE2-CG 3.47Å; F1683-F1755 HydrophobicContact CE2-CG 3.47Å; F1683-F1755 VanDerWaalsContact CE2-CG 3.47Å; F1683-F1755 AromaticContact CE2-CZ 3.93Å; F1683-F1755 HydrophobicContact CE2-CZ 3.93Å; F1683-F1755 HydrophobicContact CZ-CZ 4.5Å
1684A92Very high88.5Confident24 Ų2468.6 Ų68.620%0.19833%0.327CS..EExtended strand (participates in β ladder)trans-149.4168.1-174.300000111.2S1686 W1691 G1692 I1694A1684-S1686 PolarHBondContact O-N 3.27Å; A1684-W1691 VanDerWaalsContact C-CE3 3.42Å; A1684-W1691 CarbonylContact O-C 3.59Å; A1684-W1691 WeakPolarHBondContact O-CA 3.47Å; A1684-G1692 PolarHBondContact N-O 2.88Å; A1684-G1692 PolarHBondContact O-N 3.11Å; A1684-I1694 HydrophobicContact CB-CD1 3.72Å; A1684-I1694 HydrophobicContact CB-CG1 4.28Å
1685K93.6Very high89.6Confident129 Ų12967.5 Ų67.556%0.56132%0.321SS*.EExtended strand (participates in β ladder)trans-67.4124.3-179.6-171.3168.8-173161.60110.3A1690 W1691K1685-A1690 WeakPolarHBondContact CG-O 2.88Å; K1685-W1691 HydrophobicContact CB-CE3 4.46Å; K1685-W1691 HydrophobicContact CB-CZ3 4.44Å
1686S93.1Very high90.5Very high11 Ų1166 Ų668%0.07732%0.318CS..  trans-81.8142.9179.7176.30000111.5A1684 I1688 H1689 A1690 N1757 E1790A1684-S1686 PolarHBondContact O-N 3.27Å; S1686-I1688 VanDerWaalsContact C-N 3.28Å; S1686-I1688 WeakPolarHBondContact OG-CB 3.4Å; S1686-I1688 PolarHBondContact OG-N 3.31Å; S1686-H1689 WeakPolarHBondContact CB-O 3.49Å; S1686-H1689 PolarHBondContact OG-N 3.36Å; S1686-A1690 PolarHBondContact N-O 3.49Å; S1686-A1690 VanDerWaalsContact N-O 3.13Å; S1686-N1757 VanDerWaalsContact CB-ND2 3.32Å; S1686-N1757 WeakPolarHBondContact CB-ND2 3.32Å; S1686-N1757 PolarHBondContact OG-ND2 2.85Å; S1686-E1790 VanDerWaalsContact CB-OE1 3.25Å; S1686-E1790 WeakPolarHBondContact CB-OE1 3.42Å; S1686-E1790 PolarHBondContact OG-OE1 3.47Å; S1686-E1790 PolarHBondContact OG-OE2 3.4Å
1687P90.1Very high91.4Very high121 Ų12158 Ų5879%0.78628%0.283SS*.SBendtrans-68.7-22.4162.4-19.534.1000114.1E1790P1687-E1790 VanDerWaalsContact CD-OE2 3.31Å; P1687-E1790 WeakPolarHBondContact CD-OE2 3.4Å
1688I92Very high92.1Very high30 Ų3052.8 Ų52.815%0.15427%0.266CS..SBendtrans-82.7-63.3-178.7-61.2172.6000110.1S1686 N1757 T1792 C1808S1686-I1688 VanDerWaalsContact C-N 3.28Å; S1686-I1688 WeakPolarHBondContact OG-CB 3.4Å; S1686-I1688 PolarHBondContact OG-N 3.31Å; I1688-N1757 HydrophobicContact CB-CB 4.49Å; I1688-N1757 HydrophobicContact CG2-CB 4.32Å; I1688-T1792 HydrophobicContact CD1-CG2 3.72Å; I1688-C1808 HydrophobicContact CG2-CB 4.41Å
1689H85.7Confident92.5Very high38 Ų3845 Ų4518%0.17623%0.232CC..SBendtrans-154.9124.8-175.8-172.3-81.1000112.1R1570 S1686 W1691 N1757R1570-H1689 WeakPolarHBondContact CA-NE2 3.36Å; R1570-H1689 WeakPolarHBondContact CB-NE2 3.38Å; R1570-H1689 WeakPolarHBondContact CG-NE2 3.36Å; R1570-H1689 PolarHBondContact O-NE2 2.82Å; S1686-H1689 WeakPolarHBondContact CB-O 3.49Å; S1686-H1689 PolarHBondContact OG-N 3.36Å; H1689-W1691 PolarHBondContact O-N 3.35Å; H1689-N1757 PolarHBondContact O-ND2 3.01Å; H1689-N1757 VanDerWaalsContact O-ND2 3.14Å
1690A87.7Confident92.5Very high40 Ų4045.5 Ų45.533%0.33124%0.241SC..SBendtrans42.6-93.9176.600000115K1685 S1686K1685-A1690 WeakPolarHBondContact CG-O 2.88Å; S1686-A1690 PolarHBondContact N-O 3.49Å; S1686-A1690 VanDerWaalsContact N-O 3.13Å
1691W93.6Very high92.6Very high105 Ų10541.8 Ų41.840%0.39823%0.23SC..EExtended strand (participates in β ladder)trans-121.6148.8179.4-60.396.3000110.3F1683 A1684 K1685 H1689 N1757F1683-W1691 AromaticContact CD1-CE3 3.98Å; F1683-W1691 HydrophobicContact CD1-CE3 3.98Å; F1683-W1691 HydrophobicContact CD1-CZ3 4.33Å; F1683-W1691 HydrophobicContact CD2-CB 4.15Å; F1683-W1691 AromaticContact CE1-CD2 3.62Å; F1683-W1691 HydrophobicContact CE1-CD2 3.62Å; F1683-W1691 AromaticContact CE1-CE3 3.36Å; F1683-W1691 HydrophobicContact CE1-CE3 3.36Å; F1683-W1691 HydrophobicContact CE1-CG 4.12Å; F1683-W1691 HydrophobicContact CE1-CH2 4.35Å; F1683-W1691 AromaticContact CE1-CZ3 3.77Å; F1683-W1691 HydrophobicContact CE1-CZ3 3.77Å; F1683-W1691 HydrophobicContact CE2-CB 3.31Å; F1683-W1691 HydrophobicContact CE2-CD2 4.03Å; F1683-W1691 HydrophobicContact CE2-CE3 4.21Å; F1683-W1691 AromaticContact CE2-CG 3.66Å; F1683-W1691 HydrophobicContact CE2-CG 3.66Å; F1683-W1691 HydrophobicContact CZ-CB 3.55Å; F1683-W1691 AromaticContact CZ-CD1 3.87Å; F1683-W1691 AromaticContact CZ-CD2 3.29Å; F1683-W1691 HydrophobicContact CZ-CD2 3.29Å; F1683-W1691 AromaticContact CZ-CE2 3.95Å; F1683-W1691 AromaticContact CZ-CE3 3.52Å; F1683-W1691 HydrophobicContact CZ-CE3 3.52Å; F1683-W1691 AromaticContact CZ-CG 3.3Å; F1683-W1691 HydrophobicContact CZ-CG 3.3Å; F1683-W1691 HydrophobicContact CZ-CZ3 4.34Å; A1684-W1691 VanDerWaalsContact C-CE3 3.42Å; A1684-W1691 CarbonylContact O-C 3.59Å; A1684-W1691 WeakPolarHBondContact O-CA 3.47Å; K1685-W1691 HydrophobicContact CB-CE3 4.46Å; K1685-W1691 HydrophobicContact CB-CZ3 4.44Å; H1689-W1691 PolarHBondContact O-N 3.35Å; W1691-N1757 PolarHBondContact O-ND2 3.28Å
1692G94.4Very high92.4Very high0 Ų044.8 Ų44.80%024%0.243CC..EExtended strand (participates in β ladder)trans-135.7173.8-178.500000111.7A1684 F1755 E1790A1684-G1692 PolarHBondContact N-O 2.88Å; A1684-G1692 PolarHBondContact O-N 3.11Å; G1692-F1755 WeakPolarHBondContact CA-O 3.44Å; G1692-E1790 WeakPolarHBondContact CA-OE1 3.35Å
1693L96.7Very high92.1Very high0 Ų042.4 Ų42.40%023%0.23CC..EExtended strand (participates in β ladder)trans-111.9120.7176.1-168.861.6000109.1L1681 I1706 N1752 I1756 I1791L1681-L1693 HydrophobicContact CB-CD1 3.89Å; L1681-L1693 HydrophobicContact CB-CG 4.16Å; L1681-L1693 HydrophobicContact CD1-CD2 4.02Å; L1681-L1693 HydrophobicContact CD1-CG 4.45Å; L1693-I1706 HydrophobicContact CD2-CD1 4.24Å; L1693-I1706 HydrophobicContact CD2-CG2 4.35Å; L1693-N1752 HydrophobicContact CD1-CB 3.9Å; L1693-I1756 HydrophobicContact CB-CG1 3.91Å; L1693-I1756 HydrophobicContact CD2-CD1 3.9Å; L1693-I1756 HydrophobicContact CD2-CG1 3.63Å; L1693-I1756 HydrophobicContact CG-CG1 4.43Å; L1693-I1791 HydrophobicContact CB-CB 4.42Å; L1693-I1791 WeakPolarHBondContact O-CB 3.46Å; L1693-I1791 WeakPolarHBondContact O-CG1 3.32Å; L1693-I1791 PolarHBondContact O-N 2.94Å
1694I96.6Very high92Very high23 Ų2339 Ų3912%0.11822%0.215CC..EExtended strand (participates in β ladder)trans-113.7138.9-172.7-58.1-175.4000110.5L1681 I1682 A1684 M1788 E1790L1681-I1694 CarbonylContact C-O 3.6Å; L1681-I1694 WeakPolarHBondContact CA-O 3.46Å; I1682-I1694 HydrophobicContact CG2-CB 3.86Å; I1682-I1694 HydrophobicContact CG2-CG2 4.42Å; I1682-I1694 PolarHBondContact N-O 2.76Å; I1682-I1694 PolarHBondContact O-N 3.18Å; A1684-I1694 HydrophobicContact CB-CD1 3.72Å; A1684-I1694 HydrophobicContact CB-CG1 4.28Å; I1694-M1788 HydrophobicContact CG2-SD 4.32Å; I1694-E1790 HydrophobicContact CG1-CB 4.45Å
1695A96.3Very high92.1Very high0 Ų038 Ų380%021%0.207CC..EExtended strand (participates in β ladder)trans-74123.217700000112.4L1681 I1699 I1785 M1788 E1789 I1791L1681-A1695 HydrophobicContact CD2-CB 4.45Å; A1695-I1699 HydrophobicContact CB-CD1 4.25Å; A1695-I1785 HydrophobicContact CB-CG2 4.15Å; A1695-M1788 PolarHBondContact O-N 2.88Å; A1695-E1789 PolarHBondContact N-O 3.02Å; A1695-I1791 HydrophobicContact CB-CD1 4.3Å
1696L93.5Very high92.2Very high72 Ų7233 Ų3338%0.37719%0.186SC..SBendtrans-93.5-13.8170.7-67.1-177.4000113Q1680 I1682 V1787 M1788Q1680-L1696 HydrophobicContact CB-CB 3.97Å; Q1680-L1696 WeakPolarHBondContact O-CB 3.39Å; Q1680-L1696 PolarHBondContact O-N 3Å; I1682-L1696 HydrophobicContact CB-CD1 3.95Å; I1682-L1696 HydrophobicContact CB-CD2 4.3Å; I1682-L1696 HydrophobicContact CB-CG 4.03Å; I1682-L1696 HydrophobicContact CG2-CD1 4.34Å; I1682-L1696 HydrophobicContact CG2-CD2 3.76Å; I1682-L1696 HydrophobicContact CG2-CG 3.91Å; L1696-V1787 WeakPolarHBondContact O-CG1 3.42Å; L1696-M1788 HydrophobicContact CD2-CE 3.53Å; L1696-M1788 HydrophobicContact CD2-SD 3.96Å
1697E90.8Very high92.2Very high15 Ų1534.4 Ų34.47%0.0719%0.191CC..SBendtrans-126.3154.5173.272.3178.3157.700110.8R1650 R1677 K1679 Q1680 I1699R1650-E1697 IonicContact CZ-OE2 2.73Å; R1650-E1697 IonicContact NH1-OE2 2.83Å; R1650-E1697 PolarHBondContact NH1-OE2 3.41Å; R1677-E1697 IonicContact NH2-OE2 2.62Å; R1677-E1697 PolarHBondContact NH2-OE2 3.45Å; R1677-E1697 VanDerWaalsContact NH2-OE2 3.14Å; K1679-E1697 VanDerWaalsContact CA-OE1 3.3Å; K1679-E1697 WeakPolarHBondContact CA-OE1 3.39Å; K1679-E1697 VanDerWaalsContact CD-OE1 3.31Å; K1679-E1697 WeakPolarHBondContact CD-OE1 3.31Å; Q1680-E1697 HydrophobicContact CB-CB 4.23Å; Q1680-E1697 HydrophobicContact CB-CG 4.06Å; Q1680-E1697 PolarHBondContact N-OE1 3Å; E1697-I1699 PolarHBondContact O-N 3.03Å
1698P92.3Very high92.5Very high20 Ų2029.1 Ų29.113%0.1316%0.156CC..  trans-68.5131.317529.3-33.9000109.9R1647 V1787R1647-P1698 HydrophobicContact CG-CG 4.19Å; P1698-V1787 HydrophobicContact CB-CG2 4.42Å; P1698-V1787 HydrophobicContact CG-CG2 4.49Å
1699I93.6Very high92.5Very high1 Ų130.2 Ų30.21%0.00516%0.164CC..BIsolated β-bridgetrans-115114178-58.2165000106.5L1681 A1695 E1697 E1703 V1705 D1784 I1785 I1791L1681-I1699 HydrophobicContact CD2-CD1 4.1Å; A1695-I1699 HydrophobicContact CB-CD1 4.25Å; E1697-I1699 PolarHBondContact O-N 3.03Å; I1699-E1703 HydrophobicContact CG2-CB 4.33Å; I1699-V1705 HydrophobicContact CD1-CG1 4.13Å; I1699-V1705 HydrophobicContact CD1-CG2 4.45Å; I1699-V1705 HydrophobicContact CG2-CG2 4.27Å; I1699-D1784 CarbonylContact O-C 3.59Å; I1699-D1784 WeakPolarHBondContact O-CA 3.38Å; I1699-I1785 HydrophobicContact CB-CB 4.27Å; I1699-I1785 PolarHBondContact N-O 3.29Å; I1699-I1785 VanDerWaalsContact N-O 3.13Å; I1699-I1785 PolarHBondContact O-N 2.87Å; I1699-I1791 HydrophobicContact CD1-CD1 4.23Å
1700A89.8Confident92.9Very high36 Ų3629.4 Ų29.430%0.29817%0.165SC..  trans-78.3163.1177.500000111.8R1654 E1703 S1781 D1784R1654-A1700 VanDerWaalsContact NH2-CA 3.29Å; R1654-A1700 VanDerWaalsContact NH2-CB 3.29Å; R1654-A1700 VanDerWaalsContact NH2-N 3.14Å; R1654-A1700 PolarHBondContact NH2-O 2.76Å; A1700-E1703 WeakPolarHBondContact O-CB 3.42Å; A1700-S1781 PolarHBondContact O-OG 3.08Å; A1700-D1784 WeakPolarHBondContact CA-OD1 3.41Å; A1700-D1784 VanDerWaalsContact CB-OD1 3.27Å; A1700-D1784 WeakPolarHBondContact CB-OD1 3.27Å
1701A91.6Very high93Very high35 Ų3531.6 Ų31.629%0.28917%0.169SC..SBendtrans-51.8153.9-177.200000113.6R1654 E1703 D1784R1654-A1701 PolarHBondContact NH1-O 2.94Å; A1701-E1703 VanDerWaalsContact C-N 3.32Å; A1701-E1703 PolarHBondContact O-N 3.46Å; A1701-D1784 PolarHBondContact N-OD1 2.87Å
1702E88.8Confident92.9Very high93 Ų9330 Ų3044%0.43517%0.171SC..SBendtrans50.447.7178.1-61.2-55.5138.600112.9K1670 Y1765 S1781K1670-E1702 WeakPolarHBondContact CE-O 3.4Å; K1670-E1702 PolarHBondContact NZ-O 3.02Å; E1702-Y1765 PolarHBondContact OE2-OH 3.46Å; E1702-S1781 VanDerWaalsContact CA-O 3.25Å; E1702-S1781 WeakPolarHBondContact CA-O 3.4Å; E1702-S1781 PolarHBondContact N-O 2.8Å; E1702-S1781 PolarHBondContact N-OG 3Å
1703E89.2Confident92.6Very high26 Ų2630.1 Ų30.112%0.12117%0.171CC..  trans-124.7145175.1-175.5173.2-131.900112.1R1654 K1679 I1699 A1700 A1701 V1705 Y1780 S1781R1654-E1703 IonicContact CZ-OE1 2.78Å; R1654-E1703 IonicContact CZ-OE2 3.7Å; R1654-E1703 IonicContact NE-OE1 3.31Å; R1654-E1703 PolarHBondContact NE-OE1 3.24Å; R1654-E1703 IonicContact NE-OE2 3.04Å; R1654-E1703 IonicContact NH2-OE1 3.11Å; R1654-E1703 IonicContact NH2-OE2 3.39Å; R1654-E1703 PolarHBondContact NH2-OE2 3.15Å; K1679-E1703 VanDerWaalsContact CE-CD 3.49Å; K1679-E1703 WeakPolarHBondContact CE-OE2 3.21Å; K1679-E1703 IonicContact NZ-OE1 3.51Å; K1679-E1703 PolarHBondContact NZ-OE1 3.29Å; K1679-E1703 IonicContact NZ-OE2 3.96Å; K1679-E1703 PolarHBondContact NZ-OE2 3.4Å; I1699-E1703 HydrophobicContact CG2-CB 4.33Å; A1700-E1703 WeakPolarHBondContact O-CB 3.42Å; A1701-E1703 VanDerWaalsContact C-N 3.32Å; A1701-E1703 PolarHBondContact O-N 3.46Å; E1703-V1705 PolarHBondContact O-N 3.47Å; E1703-Y1780 CarbonylContact O-C 3.52Å; E1703-Y1780 VanDerWaalsContact O-CA 3.23Å; E1703-Y1780 WeakPolarHBondContact O-CA 3.4Å; E1703-S1781 PolarHBondContact N-OG 2.91Å; E1703-S1781 PolarHBondContact O-N 3.02Å; E1703-S1781 PolarHBondContact O-OG 3.22Å
1704M91.1Very high92.2Very high0 Ų031.5 Ų31.50%018%0.176CC..EExtended strand (participates in β ladder)trans-68.5130.5173.5-62176.4166.200109.5D1667 K1670 F1671 L1674 I1769 V1778 Y1780D1667-M1704 HydrophobicContact CB-CE 4.4Å; D1667-M1704 WeakPolarHBondContact O-CE 3.44Å; K1670-M1704 HydrophobicContact CB-CE 4.07Å; K1670-M1704 HydrophobicContact CB-SD 3.91Å; K1670-M1704 HydrophobicContact CD-CE 4.38Å; K1670-M1704 HydrophobicContact CD-CG 3.94Å; K1670-M1704 HydrophobicContact CD-SD 4.22Å; K1670-M1704 HydrophobicContact CG-CE 4.31Å; K1670-M1704 HydrophobicContact CG-CG 3.9Å; K1670-M1704 HydrophobicContact CG-SD 3.72Å; F1671-M1704 VanDerWaalsContact CA-SD 3.55Å; F1671-M1704 HydrophobicContact CB-CE 3.97Å; F1671-M1704 HydrophobicContact CB-SD 4.17Å; F1671-M1704 PolarHBondContact N-SD 3.3Å; L1674-M1704 HydrophobicContact CD1-CB 3.34Å; L1674-M1704 HydrophobicContact CD1-CG 4.4Å; L1674-M1704 HydrophobicContact CD1-SD 4.23Å; L1674-M1704 HydrophobicContact CG-CB 3.91Å; L1674-M1704 HydrophobicContact CG-SD 4.48Å; M1704-I1769 HydrophobicContact CE-CD1 3.97Å; M1704-V1778 HydrophobicContact CB-CG1 3.9Å; M1704-V1778 HydrophobicContact CE-CG1 4.47Å; M1704-V1778 HydrophobicContact CG-CG1 3.79Å; M1704-V1778 HydrophobicContact SD-CG1 4.11Å; M1704-Y1780 HydrophobicContact CE-CE1 4.24Å; M1704-Y1780 HydrophobicContact CE-CE2 4.16Å; M1704-Y1780 WeakPolarHBondContact CE-OH 3.31Å; M1704-Y1780 HydrophobicContact CG-CD1 4.01Å; M1704-Y1780 HydrophobicContact CG-CD2 4.3Å; M1704-Y1780 HydrophobicContact CG-CE1 3.6Å; M1704-Y1780 HydrophobicContact CG-CE2 3.89Å; M1704-Y1780 HydrophobicContact CG-CG 4.38Å
1705V94.1Very high91.7Very high2 Ų234.7 Ų34.71%0.01219%0.189CC..EExtended strand (participates in β ladder)trans-97.1-56.1-178.6-178.60000110K1679 L1681 I1699 E1703 I1779 I1791K1679-V1705 WeakPolarHBondContact CG-O 3.25Å; L1681-V1705 HydrophobicContact CD1-CG1 3.82Å; L1681-V1705 HydrophobicContact CD2-CG1 4.18Å; I1699-V1705 HydrophobicContact CD1-CG1 4.13Å; I1699-V1705 HydrophobicContact CD1-CG2 4.45Å; I1699-V1705 HydrophobicContact CG2-CG2 4.27Å; E1703-V1705 PolarHBondContact O-N 3.47Å; V1705-I1779 HydrophobicContact CB-CG2 4.4Å; V1705-I1779 PolarHBondContact N-O 3.25Å; V1705-I1791 HydrophobicContact CG1-CD1 4.29Å; V1705-I1791 HydrophobicContact CG1-CG1 4.41Å; V1705-I1791 HydrophobicContact CG1-CG2 4.44Å
1706I94.9Very high91.1Very high26 Ų2636.9 Ų36.913%0.13321%0.212CC..EExtended strand (participates in β ladder)trans-161.4145.8-175.3-166.9167.3000110.4L1681 L1693 N1752 A1753 I1756 I1779L1681-I1706 HydrophobicContact CD1-CB 4.15Å; L1681-I1706 HydrophobicContact CD1-CD1 4.24Å; L1693-I1706 HydrophobicContact CD2-CD1 4.24Å; L1693-I1706 HydrophobicContact CD2-CG2 4.35Å; I1706-N1752 HydrophobicContact CD1-CB 4.33Å; I1706-A1753 HydrophobicContact CD1-CB 4.1Å; I1706-A1753 HydrophobicContact CG1-CB 4.2Å; I1706-A1753 HydrophobicContact CG2-CB 3.83Å; I1706-I1756 HydrophobicContact CG2-CD1 3.86Å; I1706-I1779 HydrophobicContact CG2-CB 4.13Å; I1706-I1779 HydrophobicContact CG2-CG1 4.08Å; I1706-I1779 PolarHBondContact O-N 3.4Å
1707E94.2Very high90.7Very high40 Ų4034.3 Ų34.319%0.18720%0.199CC..EExtended strand (participates in β ladder)trans-76140.4168.4-176.2-177.7167.800110F1671 V1709 N1751 A1753 K1776 V1778F1671-E1707 HydrophobicContact CE2-CB 4.45Å; F1671-E1707 HydrophobicContact CE2-CG 4.34Å; F1671-E1707 WeakPolarHBondContact CE2-OE2 3.45Å; F1671-E1707 VanDerWaalsContact CZ-OE2 3.28Å; F1671-E1707 WeakPolarHBondContact CZ-OE2 3.5Å; E1707-V1709 HydrophobicContact CB-CG2 4.13Å; E1707-V1709 HydrophobicContact CG-CG2 3.79Å; E1707-V1709 PolarHBondContact O-N 3.19Å; E1707-N1751 PolarHBondContact O-ND2 3.29Å; E1707-N1751 PolarHBondContact O-OD1 3.25Å; E1707-A1753 WeakPolarHBondContact O-CB 3.4Å; E1707-K1776 WeakPolarHBondContact OE1-CD 3.33Å; E1707-K1776 IonicContact OE1-NZ 2.66Å; E1707-K1776 PolarHBondContact OE1-NZ 3.43Å; E1707-K1776 IonicContact OE2-NZ 2.63Å; E1707-V1778 HydrophobicContact CB-CG2 4.34Å; E1707-V1778 HydrophobicContact CG-CG2 4.31Å
1708Y95.3Very high90.7Very high9 Ų933.8 Ų33.84%0.03520%0.198CC..  trans-84.3111.5168.3-166.7-86.3000109.4Y1734 F1736 I1744 A1746 A1753 R1754 I1777Y1708-Y1734 PolarHBondContact OH-O 2.95Å; Y1708-F1736 HydrophobicContact CD1-CB 3.92Å; Y1708-F1736 AromaticContact CD1-CD2 3.82Å; Y1708-F1736 HydrophobicContact CD1-CD2 3.82Å; Y1708-F1736 HydrophobicContact CD1-CG 4.23Å; Y1708-F1736 AromaticContact CD2-CD2 3.63Å; Y1708-F1736 HydrophobicContact CD2-CD2 3.63Å; Y1708-F1736 HydrophobicContact CD2-CE2 4.1Å; Y1708-F1736 HydrophobicContact CE1-CB 3.51Å; Y1708-F1736 AromaticContact CE1-CD2 3.89Å; Y1708-F1736 HydrophobicContact CE1-CD2 3.89Å; Y1708-F1736 HydrophobicContact CE1-CG 4.17Å; Y1708-F1736 AromaticContact CE2-CD2 3.68Å; Y1708-F1736 HydrophobicContact CE2-CD2 3.68Å; Y1708-F1736 HydrophobicContact CE2-CE2 4.42Å; Y1708-F1736 AromaticContact CG-CD2 3.7Å; Y1708-F1736 HydrophobicContact CG-CD2 3.7Å; Y1708-F1736 HydrophobicContact CG-CE2 4.29Å; Y1708-F1736 AromaticContact CZ-CD2 3.83Å; Y1708-I1744 HydrophobicContact CD1-CB 4.19Å; Y1708-I1744 HydrophobicContact CD1-CD1 4.3Å; Y1708-I1744 HydrophobicContact CD1-CG2 3.92Å; Y1708-I1744 HydrophobicContact CE1-CB 4.24Å; Y1708-I1744 HydrophobicContact CE1-CG2 4.01Å; Y1708-A1746 HydrophobicContact CE1-CB 3.76Å; Y1708-A1753 HydrophobicContact CD2-CB 3.85Å; Y1708-A1753 HydrophobicContact CG-CB 4.46Å; Y1708-R1754 HydrophobicContact CE2-CB 4.23Å; Y1708-I1777 PolarHBondContact N-O 2.98Å
1709V92.1Very high90.4Very high54 Ų5437.6 Ų37.633%0.32721%0.214SC..  trans-113.1133.8-173.6178.30000110.5E1707 G1750 N1751E1707-V1709 HydrophobicContact CB-CG2 4.13Å; E1707-V1709 HydrophobicContact CG-CG2 3.79Å; E1707-V1709 PolarHBondContact O-N 3.19Å; V1709-G1750 WeakPolarHBondContact O-CA 3.41Å; V1709-N1751 HydrophobicContact CB-CB 4.2Å; V1709-N1751 WeakPolarHBondContact CG2-ND2 3.46Å; V1709-N1751 PolarHBondContact O-N 3.19Å
1710G93.5Very high90Very high20 Ų2041.8 Ų41.821%0.20624%0.235CC..SBendtrans-170.3-168.9171.500000110I1744 D1745 C1749G1710-I1744 VanDerWaalsContact CA-CG2 3.48Å; G1710-I1744 VanDerWaalsContact N-CG2 3.34Å; G1710-D1745 CarbonylContact C-O 3.51Å; G1710-D1745 WeakPolarHBondContact CA-O 3.4Å; G1710-C1749 WeakPolarHBondContact CA-O 3.42Å
1711H90.7Very high89.9Confident86 Ų8640.9 Ų40.940%0.39822%0.224SC..EExtended strand (participates in β ladder)trans-79125175.3-162.1-148000110.4R1721 I1744 D1745H1711-R1721 PolarHBondContact ND1-NH2 3.48Å; H1711-I1744 CarbonylContact O-C 3.41Å; H1711-I1744 WeakPolarHBondContact O-CA 3.33Å; H1711-D1745 PolarHBondContact N-O 2.81Å; H1711-D1745 PolarHBondContact O-N 2.99Å
1712V90.6Very high89.8Confident73 Ų7342.4 Ų42.444%0.44223%0.226SC..EExtended strand (participates in β ladder)trans-82.2118.9175.9-176.10000108.3I1738 F1742 I1744V1712-I1738 HydrophobicContact CG1-CD1 3.93Å; V1712-I1738 HydrophobicContact CG2-CD1 4.45Å; V1712-F1742 HydrophobicContact CG1-CB 4.29Å; V1712-F1742 HydrophobicContact CG1-CD1 3.89Å; V1712-F1742 HydrophobicContact CG1-CG 4.42Å; V1712-I1744 HydrophobicContact CG2-CG1 4.36Å
1713V88.5Confident89.7Confident2 Ų244 Ų441%0.01223%0.233CC..EExtended strand (participates in β ladder)trans-128.1156.3-177.7-68.90000111V1717 A1718 F1742 V1743 D1745V1713-V1717 HydrophobicContact CB-CB 4.28Å; V1713-V1717 HydrophobicContact CB-CG1 4.16Å; V1713-V1717 HydrophobicContact CG1-CG1 4.17Å; V1713-A1718 HydrophobicContact CG2-CB 3.9Å; V1713-F1742 WeakPolarHBondContact O-CA 3.37Å; V1713-V1743 HydrophobicContact CG2-CB 4.38Å; V1713-V1743 WeakPolarHBondContact CG2-O 3.42Å; V1713-V1743 PolarHBondContact N-O 3.04Å; V1713-V1743 PolarHBondContact O-N 2.95Å; V1713-D1745 HydrophobicContact CG2-CB 4.39Å
1714R87.8Confident89.6Confident29 Ų2946.6 Ų46.611%0.10925%0.245CC..EExtended strand (participates in β ladder)trans-71.1152.2171.8-64.4-171-62.4-128.5-2.3111G1342 D1347 G1716 V1717 A1718 E1741 F1742G1342-R1714 PolarHBondContact O-NH1 3.36Å; D1347-R1714 IonicContact OD1-CZ 3.27Å; D1347-R1714 IonicContact OD1-NH2 2.58Å; D1347-R1714 PolarHBondContact OD1-NH2 2.89Å; D1347-R1714 IonicContact OD2-CZ 2.78Å; D1347-R1714 IonicContact OD2-NH1 3.16Å; D1347-R1714 IonicContact OD2-NH2 2.57Å; D1347-R1714 PolarHBondContact OD2-NH2 2.83Å; R1714-G1716 PolarHBondContact O-N 2.87Å; R1714-V1717 WeakPolarHBondContact O-CB 3.27Å; R1714-V1717 PolarHBondContact O-N 2.98Å; R1714-A1718 PolarHBondContact O-N 3.01Å; R1714-E1741 CarbonylContact C-O 3.23Å; R1714-E1741 VanDerWaalsContact CA-O 3.32Å; R1714-E1741 WeakPolarHBondContact CA-O 3.35Å; R1714-F1742 HydrophobicContact CG-CD1 4.48Å; R1714-F1742 HydrophobicContact CG-CE1 4.01Å
1715K87.4Confident89.6Confident90 Ų9047.2 Ų47.239%0.39125%0.247SC..Hα-helixtrans-46-50.7-179.5179.7179.6166.4-174.40113.8V1717 A1718 E1719 D1740 E1741K1715-V1717 VanDerWaalsContact C-N 3.31Å; K1715-V1717 PolarHBondContact O-N 3.32Å; K1715-A1718 WeakPolarHBondContact O-CA 3.25Å; K1715-A1718 VanDerWaalsContact O-CB 3.3Å; K1715-A1718 WeakPolarHBondContact O-CB 3.36Å; K1715-A1718 PolarHBondContact O-N 3.3Å; K1715-A1718 VanDerWaalsContact O-N 3.09Å; K1715-E1719 WeakPolarHBondContact CE-OE1 3.29Å; K1715-E1719 WeakPolarHBondContact CG-OE1 3.24Å; K1715-E1719 IonicContact NZ-OE1 2.75Å; K1715-E1719 WeakPolarHBondContact O-CG 3.39Å; K1715-E1719 PolarHBondContact O-N 2.79Å; K1715-D1740 WeakPolarHBondContact CD-O 3.47Å; K1715-E1741 PolarHBondContact N-O 3.05Å
1716G84.2Confident89.4Confident46 Ų4652.2 Ų52.247%0.47427%0.27SS..Hα-helixtrans-65.4-29.7-179.800000114.6R1714 L1720R1714-G1716 PolarHBondContact O-N 2.87Å; G1716-L1720 PolarHBondContact O-N 3.11Å
1717V85Confident89.1Confident18 Ų1854.9 Ų54.911%0.10930%0.297CS..Hα-helixtrans-74.6-36.8172.5178.90000110.2E1346 V1713 R1714 K1715 L1720 R1721E1346-V1717 WeakPolarHBondContact OE2-CG1 3.38Å; V1713-V1717 HydrophobicContact CB-CB 4.28Å; V1713-V1717 HydrophobicContact CB-CG1 4.16Å; V1713-V1717 HydrophobicContact CG1-CG1 4.17Å; R1714-V1717 WeakPolarHBondContact O-CB 3.27Å; R1714-V1717 PolarHBondContact O-N 2.98Å; K1715-V1717 VanDerWaalsContact C-N 3.31Å; K1715-V1717 PolarHBondContact O-N 3.32Å; V1717-L1720 PolarHBondContact O-N 3.47Å; V1717-R1721 WeakPolarHBondContact O-CG 3.25Å; V1717-R1721 PolarHBondContact O-N 2.9Å
1718A89Confident88.8Confident4 Ų459 Ų593%0.03331%0.314CS..Hα-helixtrans-61.7-46.5175.300000111.8V1713 R1714 K1715 R1721 E1722 L1735 V1743V1713-A1718 HydrophobicContact CG2-CB 3.9Å; R1714-A1718 PolarHBondContact O-N 3.01Å; K1715-A1718 WeakPolarHBondContact O-CA 3.25Å; K1715-A1718 VanDerWaalsContact O-CB 3.3Å; K1715-A1718 WeakPolarHBondContact O-CB 3.36Å; K1715-A1718 PolarHBondContact O-N 3.3Å; K1715-A1718 VanDerWaalsContact O-N 3.09Å; A1718-R1721 PolarHBondContact O-N 3.37Å; A1718-E1722 WeakPolarHBondContact O-CB 3.12Å; A1718-E1722 PolarHBondContact O-N 3.29Å; A1718-L1735 HydrophobicContact CB-CD2 4.11Å; A1718-V1743 HydrophobicContact CB-CB 3.79Å; A1718-V1743 HydrophobicContact CB-CG1 4.12Å; A1718-V1743 HydrophobicContact CB-CG2 3.81Å
1719E86Confident88.4Confident100 Ų10059.2 Ų59.247%0.46732%0.319SS..Hα-helixtrans-61.2-42.8175.7-70.5166.5176.200111.8K1715 R1721 E1722 H1723K1715-E1719 WeakPolarHBondContact CE-OE1 3.29Å; K1715-E1719 WeakPolarHBondContact CG-OE1 3.24Å; K1715-E1719 IonicContact NZ-OE1 2.75Å; K1715-E1719 WeakPolarHBondContact O-CG 3.39Å; K1715-E1719 PolarHBondContact O-N 2.79Å; E1719-R1721 PolarHBondContact O-N 2.85Å; E1719-E1722 PolarHBondContact O-N 3.46Å; E1719-H1723 PolarHBondContact O-N 3.31Å; E1719-H1723 VanDerWaalsContact O-N 3.11Å
1720L86.8Confident88.1Confident88 Ų8859 Ų5946%0.46132%0.315SS..Hα-helixtrans-61.5-44.2174.4178.262.1000112G1716 V1717 Q1724G1716-L1720 PolarHBondContact O-N 3.11Å; V1717-L1720 PolarHBondContact O-N 3.47Å; L1720-Q1724 WeakPolarHBondContact O-CG 3.21Å; L1720-Q1724 PolarHBondContact O-N 2.98Å; L1720-Q1724 VanDerWaalsContact O-N 3.08Å
1721R87.5Confident87.6Confident18 Ų1858.5 Ų58.57%0.06831%0.31CS..Hα-helixtrans-67.2-40177.8-74.5-176.2-176.4-164.99.2112.5E1346 H1711 V1717 A1718 E1719 Q1724 Y1725 D1745E1346-R1721 IonicContact OE1-CZ 3.85Å; E1346-R1721 IonicContact OE1-NE 3.58Å; E1346-R1721 IonicContact OE1-NH2 3.93Å; E1346-R1721 PolarHBondContact OE1-NH2 2.89Å; E1346-R1721 IonicContact OE2-CZ 4Å; E1346-R1721 VanDerWaalsContact OE2-CZ 3.23Å; E1346-R1721 IonicContact OE2-NE 2.72Å; E1346-R1721 PolarHBondContact OE2-NE 3.39Å; E1346-R1721 IonicContact OE2-NH2 2.79Å; E1346-R1721 PolarHBondContact OE2-NH2 3.31Å; H1711-R1721 PolarHBondContact ND1-NH2 3.48Å; V1717-R1721 WeakPolarHBondContact O-CG 3.25Å; V1717-R1721 PolarHBondContact O-N 2.9Å; A1718-R1721 PolarHBondContact O-N 3.37Å; E1719-R1721 PolarHBondContact O-N 2.85Å; R1721-Q1724 CarbonylContact O-C 3.57Å; R1721-Q1724 PolarHBondContact O-N 2.83Å; R1721-Y1725 HydrophobicContact CB-CD2 4.43Å; R1721-Y1725 HydrophobicContact CB-CE2 4Å; R1721-Y1725 WeakPolarHBondContact O-CB 3.11Å; R1721-Y1725 VanDerWaalsContact O-CD2 3.32Å; R1721-Y1725 WeakPolarHBondContact O-CD2 3.47Å; R1721-Y1725 PolarHBondContact O-N 3.34Å; R1721-D1745 WeakPolarHBondContact CD-OD2 3.33Å; R1721-D1745 IonicContact CZ-OD2 3.79Å; R1721-D1745 IonicContact NE-OD2 2.67Å; R1721-D1745 IonicContact NH1-OD2 2.61Å; R1721-D1745 PolarHBondContact NH1-OD2 2.82Å
1722E88.9Confident87.2Confident67 Ų6756 Ų5631%0.31330%0.302SS..Hα-helixtrans-53.8-55.1173.5163.6152.9-123.400110.5A1718 E1719 Q1724 Y1725 E1726 S1732 L1735A1718-E1722 WeakPolarHBondContact O-CB 3.12Å; A1718-E1722 PolarHBondContact O-N 3.29Å; E1719-E1722 PolarHBondContact O-N 3.46Å; E1722-Q1724 VanDerWaalsContact C-N 3.31Å; E1722-Q1724 PolarHBondContact O-N 3.2Å; E1722-Y1725 PolarHBondContact O-N 2.83Å; E1722-E1726 WeakPolarHBondContact O-CG 3.31Å; E1722-E1726 PolarHBondContact O-N 3.2Å; E1722-S1732 WeakPolarHBondContact OE1-CB 3.34Å; E1722-S1732 PolarHBondContact OE1-OG 3.36Å; E1722-L1735 HydrophobicContact CB-CD2 4.15Å
1723H87.3Confident86.9Confident127 Ų12754.9 Ų54.959%0.58830%0.298SS*.Hα-helixtrans-58.6-40.7177.1-173.464000112.9E1719 Y1725 E1726 A1727E1719-H1723 PolarHBondContact O-N 3.31Å; E1719-H1723 VanDerWaalsContact O-N 3.11Å; H1723-Y1725 PolarHBondContact O-N 3.49Å; H1723-E1726 PolarHBondContact O-N 3.24Å; H1723-A1727 WeakPolarHBondContact O-CB 3.49Å; H1723-A1727 PolarHBondContact O-N 2.82Å
1724Q86.6Confident87Confident79 Ų7956.8 Ų56.837%0.36931%0.305SS..Hα-helixtrans-65.3-36.1174.9-72.4-177.617.500113.2L1720 R1721 E1722 K1728L1720-Q1724 WeakPolarHBondContact O-CG 3.21Å; L1720-Q1724 PolarHBondContact O-N 2.98Å; L1720-Q1724 VanDerWaalsContact O-N 3.08Å; R1721-Q1724 CarbonylContact O-C 3.57Å; R1721-Q1724 PolarHBondContact O-N 2.83Å; E1722-Q1724 VanDerWaalsContact C-N 3.31Å; E1722-Q1724 PolarHBondContact O-N 3.2Å; Q1724-K1728 WeakPolarHBondContact O-CB 3.39Å; Q1724-K1728 WeakPolarHBondContact O-CD 3.4Å; Q1724-K1728 WeakPolarHBondContact O-CG 3.44Å; Q1724-K1728 PolarHBondContact O-N 3.05Å
1725Y91.3Very high87.2Confident14 Ų1457.3 Ų57.36%0.05531%0.31CS..Hα-helixtrans-74.7-34.1178.1-65.8-23.8000111.6R1721 E1722 H1723 K1728 G1729 I1730 G1731 L1735 D1745 T1747 M1748R1721-Y1725 HydrophobicContact CB-CD2 4.43Å; R1721-Y1725 HydrophobicContact CB-CE2 4Å; R1721-Y1725 WeakPolarHBondContact O-CB 3.11Å; R1721-Y1725 VanDerWaalsContact O-CD2 3.32Å; R1721-Y1725 WeakPolarHBondContact O-CD2 3.47Å; R1721-Y1725 PolarHBondContact O-N 3.34Å; E1722-Y1725 PolarHBondContact O-N 2.83Å; H1723-Y1725 PolarHBondContact O-N 3.49Å; Y1725-K1728 CarbonylContact O-C 3.59Å; Y1725-G1729 CarbonylContact O-C 3.55Å; Y1725-G1729 VanDerWaalsContact O-C 3.22Å; Y1725-G1729 WeakPolarHBondContact O-CA 3.24Å; Y1725-G1729 PolarHBondContact O-N 3.11Å; Y1725-I1730 HydrophobicContact CD1-CD1 4.23Å; Y1725-I1730 PolarHBondContact O-N 2.93Å; Y1725-G1731 PolarHBondContact O-N 3.4Å; Y1725-L1735 HydrophobicContact CD2-CD1 4.44Å; Y1725-D1745 WeakPolarHBondContact CE2-OD2 3.23Å; Y1725-D1745 PolarHBondContact OH-OD2 3.09Å; Y1725-D1745 VanDerWaalsContact OH-OD2 3.12Å; Y1725-T1747 HydrophobicContact CD2-CG2 3.87Å; Y1725-T1747 HydrophobicContact CE1-CG2 4.47Å; Y1725-T1747 HydrophobicContact CE2-CG2 3.73Å; Y1725-T1747 WeakPolarHBondContact CE2-OG1 3.41Å; Y1725-T1747 HydrophobicContact CG-CG2 4.3Å; Y1725-M1748 HydrophobicContact CD1-CE 4.17Å; Y1725-M1748 HydrophobicContact CE1-CE 3.53Å; Y1725-M1748 HydrophobicContact CE1-CG 4.49Å
1726E89.2Confident87.5Confident106 Ų10654.8 Ų54.850%0.49530%0.299SS..Hα-helixtrans-66.2-45.2169.9-68.6-178.4150.700112.1E1722 H1723 K1728 G1729E1722-E1726 WeakPolarHBondContact O-CG 3.31Å; E1722-E1726 PolarHBondContact O-N 3.2Å; H1723-E1726 PolarHBondContact O-N 3.24Å; E1726-K1728 VanDerWaalsContact C-N 3.29Å; E1726-K1728 PolarHBondContact O-N 3.26Å; E1726-G1729 VanDerWaalsContact O-CA 3.27Å; E1726-G1729 WeakPolarHBondContact O-CA 3.3Å; E1726-G1729 PolarHBondContact O-N 2.65Å
1727A88.8Confident87.9Confident83 Ų8360 Ų6069%0.68630%0.304SS*.Hα-helixtrans-63.3-32.6176.400000113.1H1723 G1729H1723-A1727 WeakPolarHBondContact O-CB 3.49Å; H1723-A1727 PolarHBondContact O-N 2.82Å; A1727-G1729 VanDerWaalsContact C-N 3.26Å
1728K89Confident88.2Confident125 Ų12559.6 Ų59.654%0.54330%0.301SS..THydrogen-bonded Turntrans-82.1-3.5170.1-67.4164.7-171.9165.70112.8Q1724 Y1725 E1726 I1730Q1724-K1728 WeakPolarHBondContact O-CB 3.39Å; Q1724-K1728 WeakPolarHBondContact O-CD 3.4Å; Q1724-K1728 WeakPolarHBondContact O-CG 3.44Å; Q1724-K1728 PolarHBondContact O-N 3.05Å; Y1725-K1728 CarbonylContact O-C 3.59Å; E1726-K1728 VanDerWaalsContact C-N 3.29Å; E1726-K1728 PolarHBondContact O-N 3.26Å; K1728-I1730 HydrophobicContact CB-CD1 4.16Å; K1728-I1730 HydrophobicContact CB-CG1 4.2Å; K1728-I1730 HydrophobicContact CD-CD1 4.5Å; K1728-I1730 PolarHBondContact O-N 3.33Å
1729G87.3Confident88.3Confident14 Ų1461 Ų6114%0.14431%0.308CS..THydrogen-bonded Turntrans73.1-13.1-173.800000116.1S1566 G1567 S1568 Y1725 E1726 A1727 G1731S1566-G1729 CarbonylContact C-O 3.55Å; S1566-G1729 CarbonylContact O-C 3.49Å; S1566-G1729 VanDerWaalsContact O-C 3.23Å; S1566-G1729 VanDerWaalsContact O-CA 3.23Å; S1566-G1729 WeakPolarHBondContact O-CA 3.47Å; G1567-G1729 VanDerWaalsContact C-C 3.49Å; G1567-G1729 CarbonylContact C-O 3.22Å; G1567-G1729 VanDerWaalsContact CA-C 3.43Å; G1567-G1729 WeakPolarHBondContact CA-O 3.44Å; S1568-G1729 VanDerWaalsContact CB-O 3.23Å; S1568-G1729 WeakPolarHBondContact CB-O 3.46Å; S1568-G1729 PolarHBondContact N-O 2.82Å; Y1725-G1729 CarbonylContact O-C 3.55Å; Y1725-G1729 VanDerWaalsContact O-C 3.22Å; Y1725-G1729 WeakPolarHBondContact O-CA 3.24Å; Y1725-G1729 PolarHBondContact O-N 3.11Å; E1726-G1729 VanDerWaalsContact O-CA 3.27Å; E1726-G1729 WeakPolarHBondContact O-CA 3.3Å; E1726-G1729 PolarHBondContact O-N 2.65Å; A1727-G1729 VanDerWaalsContact C-N 3.26Å; G1729-G1731 PolarHBondContact O-N 3.48Å
1730I85.1Confident88.4Confident50 Ų5061.9 Ų61.926%0.25632%0.316SS..  trans-50-35180-58.1169.9000112.4S1568 Y1725 K1728 T1747 M1748S1568-I1730 WeakPolarHBondContact CB-O 3.41Å; S1568-I1730 PolarHBondContact OG-O 2.65Å; Y1725-I1730 HydrophobicContact CD1-CD1 4.23Å; Y1725-I1730 PolarHBondContact O-N 2.93Å; K1728-I1730 HydrophobicContact CB-CD1 4.16Å; K1728-I1730 HydrophobicContact CB-CG1 4.2Å; K1728-I1730 HydrophobicContact CD-CD1 4.5Å; K1728-I1730 PolarHBondContact O-N 3.33Å; I1730-T1747 HydrophobicContact CG2-CG2 3.58Å; I1730-M1748 HydrophobicContact CD1-CE 3.62Å
1731G81.8Confident88.3Confident9 Ų961.3 Ų61.39%0.09331%0.311CS..  trans75.4161.6177.800000113.5Y1725 G1729 S1733Y1725-G1731 PolarHBondContact O-N 3.4Å; G1729-G1731 PolarHBondContact O-N 3.48Å; G1731-S1733 PolarHBondContact O-N 2.95Å
1732S83Confident88.5Confident33 Ų3362.4 Ų62.423%0.23132%0.317CS..SBendtrans-91.512.2-167.858.30000116.3E1722 Y1734 L1735E1722-S1732 WeakPolarHBondContact OE1-CB 3.34Å; E1722-S1732 PolarHBondContact OE1-OG 3.36Å; S1732-Y1734 PolarHBondContact O-N 3.26Å; S1732-L1735 WeakPolarHBondContact O-CD1 3.1Å; S1732-L1735 PolarHBondContact O-N 2.88Å
1733S84.1Confident88.7Confident50 Ų5059.7 Ų59.735%0.3531%0.305SS..THydrogen-bonded Turntrans-685.2-169.172.30000117.7R1570 G1731R1570-S1733 VanDerWaalsContact CD-OG 3.28Å; R1570-S1733 WeakPolarHBondContact CD-OG 3.1Å; G1731-S1733 PolarHBondContact O-N 2.95Å
1734Y91.2Very high89Confident42 Ų4254 Ų5417%0.16528%0.278CS..THydrogen-bonded Turntrans-1216.9-177.1-59.2-60.2000114.3Y1708 S1732 A1746 T1747 R1754Y1708-Y1734 PolarHBondContact OH-O 2.95Å; S1732-Y1734 PolarHBondContact O-N 3.26Å; Y1734-A1746 PolarHBondContact O-N 3.24Å; Y1734-T1747 HydrophobicContact CD2-CG2 4.43Å; Y1734-R1754 HydrophobicContact CD1-CB 3.87Å; Y1734-R1754 HydrophobicContact CD1-CG 4.16Å; Y1734-R1754 HydrophobicContact CE1-CB 4.31Å; Y1734-R1754 HydrophobicContact CE1-CG 4.19Å; Y1734-R1754 WeakPolarHBondContact CE1-O 3.4Å
1735L91.4Very high89.3Confident40 Ų4050.3 Ų50.321%0.20926%0.261CS..EExtended strand (participates in β ladder)trans-83.8124173.7-76.574.3000109.8A1718 E1722 Y1725 S1732 V1743 I1744A1718-L1735 HydrophobicContact CB-CD2 4.11Å; E1722-L1735 HydrophobicContact CB-CD2 4.15Å; Y1725-L1735 HydrophobicContact CD2-CD1 4.44Å; S1732-L1735 WeakPolarHBondContact O-CD1 3.1Å; S1732-L1735 PolarHBondContact O-N 2.88Å; L1735-V1743 HydrophobicContact CB-CG1 3.96Å; L1735-V1743 HydrophobicContact CD2-CG1 4.46Å; L1735-V1743 HydrophobicContact CG-CG1 4.42Å; L1735-I1744 CarbonylContact C-O 3.55Å; L1735-I1744 WeakPolarHBondContact CA-O 3.23Å
1736F94.2Very high89.5Confident38 Ų3849.6 Ų49.617%0.16726%0.258CS..EExtended strand (participates in β ladder)trans-122.5109.1-179.5-158.8-33.8000110.1Y1708 I1738 I1744 A1766 I1777 Y1793Y1708-F1736 HydrophobicContact CD1-CB 3.92Å; Y1708-F1736 AromaticContact CD1-CD2 3.82Å; Y1708-F1736 HydrophobicContact CD1-CD2 3.82Å; Y1708-F1736 HydrophobicContact CD1-CG 4.23Å; Y1708-F1736 AromaticContact CD2-CD2 3.63Å; Y1708-F1736 HydrophobicContact CD2-CD2 3.63Å; Y1708-F1736 HydrophobicContact CD2-CE2 4.1Å; Y1708-F1736 HydrophobicContact CE1-CB 3.51Å; Y1708-F1736 AromaticContact CE1-CD2 3.89Å; Y1708-F1736 HydrophobicContact CE1-CD2 3.89Å; Y1708-F1736 HydrophobicContact CE1-CG 4.17Å; Y1708-F1736 AromaticContact CE2-CD2 3.68Å; Y1708-F1736 HydrophobicContact CE2-CD2 3.68Å; Y1708-F1736 HydrophobicContact CE2-CE2 4.42Å; Y1708-F1736 AromaticContact CG-CD2 3.7Å; Y1708-F1736 HydrophobicContact CG-CD2 3.7Å; Y1708-F1736 HydrophobicContact CG-CE2 4.29Å; Y1708-F1736 AromaticContact CZ-CD2 3.83Å; F1736-I1738 PolarHBondContact O-N 3.07Å; F1736-I1744 HydrophobicContact CB-CB 4.46Å; F1736-I1744 PolarHBondContact N-O 3.1Å; F1736-I1744 PolarHBondContact O-N 3.05Å; F1736-A1766 HydrophobicContact CE2-CB 4.48Å; F1736-A1766 HydrophobicContact CZ-CB 3.7Å; F1736-I1777 HydrophobicContact CB-CD1 4.4Å; F1736-I1777 HydrophobicContact CD1-CD1 3.35Å; F1736-I1777 HydrophobicContact CD2-CD1 4.45Å; F1736-I1777 HydrophobicContact CE1-CD1 3.66Å; F1736-I1777 HydrophobicContact CE1-CG2 4.19Å; F1736-I1777 HydrophobicContact CE2-CG2 4.08Å; F1736-I1777 HydrophobicContact CG-CD1 3.82Å; F1736-I1777 HydrophobicContact CZ-CD1 4.33Å; F1736-I1777 HydrophobicContact CZ-CG2 3.89Å; F1736-Y1793 HydrophobicContact CE2-CE2 4.05Å; F1736-Y1793 AromaticContact CE2-CZ 3.78Å; F1736-Y1793 WeakPolarHBondContact CE2-OH 3.49Å; F1736-Y1793 HydrophobicContact CZ-CE2 4.09Å
1737R92.8Very high89.5Confident156 Ų15645.1 Ų45.159%0.58924%0.238SC*.EExtended strand (participates in β ladder)trans-61.6127.4176.7-66.4176.362174.4-3.8111.6D1740 V1743R1737-D1740 IonicContact NH2-OD1 2.63Å; R1737-D1740 PolarHBondContact NH2-OD1 2.85Å; R1737-V1743 HydrophobicContact CG-CG2 4.15Å
1738I91.6Very high89.4Confident9 Ų947 Ų475%0.04623%0.234CC..SBendtrans-86.1-48.9171.2-47.6179.4000109.2V1712 F1736 F1742 I1744 I1768 K1775 I1777V1712-I1738 HydrophobicContact CG1-CD1 3.93Å; V1712-I1738 HydrophobicContact CG2-CD1 4.45Å; F1736-I1738 PolarHBondContact O-N 3.07Å; I1738-F1742 HydrophobicContact CB-CB 4.39Å; I1738-F1742 HydrophobicContact CD1-CB 4.07Å; I1738-F1742 HydrophobicContact CG1-CB 4.45Å; I1738-F1742 PolarHBondContact N-O 2.78Å; I1738-I1744 HydrophobicContact CD1-CD1 4.02Å; I1738-I1744 HydrophobicContact CD1-CG1 3.6Å; I1738-I1744 HydrophobicContact CG1-CD1 4.01Å; I1738-I1744 HydrophobicContact CG1-CG1 3.59Å; I1738-I1768 HydrophobicContact CG2-CG1 4.45Å; I1738-I1768 HydrophobicContact CG2-CG2 4.2Å; I1738-I1768 WeakPolarHBondContact O-CD1 3.47Å; I1738-K1775 HydrophobicContact CG2-CB 3.79Å; I1738-K1775 HydrophobicContact CG2-CD 4.24Å; I1738-I1777 HydrophobicContact CB-CD1 4.44Å; I1738-I1777 HydrophobicContact CG1-CD1 4.04Å; I1738-I1777 HydrophobicContact CG1-CG1 4.32Å; I1738-I1777 HydrophobicContact CG2-CG1 4.44Å
1739D90.7Very high89.1Confident34 Ų3444.3 Ų44.318%0.18223%0.23CC..SBendtrans-150.2-157.7178.551.440.1000108.6E1741 F1742 K1775D1739-E1741 VanDerWaalsContact C-N 3.34Å; D1739-E1741 PolarHBondContact OD1-N 3.04Å; D1739-F1742 PolarHBondContact N-O 3.42Å; D1739-F1742 PolarHBondContact OD1-N 2.78Å; D1739-K1775 VanDerWaalsContact OD2-CD 3.28Å; D1739-K1775 WeakPolarHBondContact OD2-CD 3.43Å; D1739-K1775 WeakPolarHBondContact OD2-CE 3.27Å; D1739-K1775 IonicContact OD2-NZ 3.99Å; D1739-K1775 PolarHBondContact OD2-NZ 2.92Å
1740D87.7Confident89.2Confident118 Ų11845.4 Ų45.463%0.63124%0.242SC*.SBendtrans-82.2-12.3180-63.7-47000113.6K1715 R1737K1715-D1740 WeakPolarHBondContact CD-O 3.47Å; R1737-D1740 IonicContact NH2-OD1 2.63Å; R1737-D1740 PolarHBondContact NH2-OD1 2.85Å
1741E84.9Confident89.6Confident76 Ų7645 Ų4536%0.35524%0.24SC..SBendtrans-105.6-34.8-177.7-62.8-179.7163.400112.2F1341 R1714 K1715 D1739F1341-E1741 WeakPolarHBondContact CZ-OE2 3.2Å; R1714-E1741 CarbonylContact C-O 3.23Å; R1714-E1741 VanDerWaalsContact CA-O 3.32Å; R1714-E1741 WeakPolarHBondContact CA-O 3.35Å; K1715-E1741 PolarHBondContact N-O 3.05Å; D1739-E1741 VanDerWaalsContact C-N 3.34Å; D1739-E1741 PolarHBondContact OD1-N 3.04Å
1742F91.6Very high90.1Very high41 Ų4148.1 Ų48.118%0.1826%0.255CS..EExtended strand (participates in β ladder)trans-122.9141.1-170.7-67.4-81.1000114.8F1341 V1712 V1713 R1714 I1738 D1739F1341-F1742 HydrophobicContact CD1-CE2 4.33Å; F1341-F1742 AromaticContact CD1-CZ 3.71Å; F1341-F1742 HydrophobicContact CD1-CZ 3.71Å; F1341-F1742 HydrophobicContact CD2-CZ 4.09Å; F1341-F1742 AromaticContact CE1-CE2 3.79Å; F1341-F1742 HydrophobicContact CE1-CE2 3.79Å; F1341-F1742 AromaticContact CE1-CZ 3.65Å; F1341-F1742 HydrophobicContact CE1-CZ 3.65Å; F1341-F1742 HydrophobicContact CE2-CE2 4.16Å; F1341-F1742 HydrophobicContact CE2-CZ 4.03Å; F1341-F1742 AromaticContact CG-CZ 3.93Å; F1341-F1742 HydrophobicContact CG-CZ 3.93Å; F1341-F1742 AromaticContact CZ-CE2 3.69Å; F1341-F1742 HydrophobicContact CZ-CE2 3.69Å; F1341-F1742 AromaticContact CZ-CZ 3.81Å; F1341-F1742 HydrophobicContact CZ-CZ 3.81Å; V1712-F1742 HydrophobicContact CG1-CB 4.29Å; V1712-F1742 HydrophobicContact CG1-CD1 3.89Å; V1712-F1742 HydrophobicContact CG1-CG 4.42Å; V1713-F1742 WeakPolarHBondContact O-CA 3.37Å; R1714-F1742 HydrophobicContact CG-CD1 4.48Å; R1714-F1742 HydrophobicContact CG-CE1 4.01Å; I1738-F1742 HydrophobicContact CB-CB 4.39Å; I1738-F1742 HydrophobicContact CD1-CB 4.07Å; I1738-F1742 HydrophobicContact CG1-CB 4.45Å; I1738-F1742 PolarHBondContact N-O 2.78Å; D1739-F1742 PolarHBondContact N-O 3.42Å; D1739-F1742 PolarHBondContact OD1-N 2.78Å
1743V92.7Very high90.7Very high10 Ų1046.6 Ų46.66%0.06124%0.244CC..EExtended strand (participates in β ladder)trans-131.6139.5179.8-173.10000109.4V1713 A1718 L1735 R1737V1713-V1743 HydrophobicContact CG2-CB 4.38Å; V1713-V1743 WeakPolarHBondContact CG2-O 3.42Å; V1713-V1743 PolarHBondContact N-O 3.04Å; V1713-V1743 PolarHBondContact O-N 2.95Å; A1718-V1743 HydrophobicContact CB-CB 3.79Å; A1718-V1743 HydrophobicContact CB-CG1 4.12Å; A1718-V1743 HydrophobicContact CB-CG2 3.81Å; L1735-V1743 HydrophobicContact CB-CG1 3.96Å; L1735-V1743 HydrophobicContact CD2-CG1 4.46Å; L1735-V1743 HydrophobicContact CG-CG1 4.42Å; R1737-V1743 HydrophobicContact CG-CG2 4.15Å
1744I94Very high91.1Very high6 Ų647 Ų473%0.03124%0.238CC..EExtended strand (participates in β ladder)trans-92.9109.7170.7-51.1-176.8000108.7Y1708 G1710 H1711 V1712 L1735 F1736 I1738 I1777Y1708-I1744 HydrophobicContact CD1-CB 4.19Å; Y1708-I1744 HydrophobicContact CD1-CD1 4.3Å; Y1708-I1744 HydrophobicContact CD1-CG2 3.92Å; Y1708-I1744 HydrophobicContact CE1-CB 4.24Å; Y1708-I1744 HydrophobicContact CE1-CG2 4.01Å; G1710-I1744 VanDerWaalsContact CA-CG2 3.48Å; G1710-I1744 VanDerWaalsContact N-CG2 3.34Å; H1711-I1744 CarbonylContact O-C 3.41Å; H1711-I1744 WeakPolarHBondContact O-CA 3.33Å; V1712-I1744 HydrophobicContact CG2-CG1 4.36Å; L1735-I1744 CarbonylContact C-O 3.55Å; L1735-I1744 WeakPolarHBondContact CA-O 3.23Å; F1736-I1744 HydrophobicContact CB-CB 4.46Å; F1736-I1744 PolarHBondContact N-O 3.1Å; F1736-I1744 PolarHBondContact O-N 3.05Å; I1738-I1744 HydrophobicContact CD1-CD1 4.02Å; I1738-I1744 HydrophobicContact CD1-CG1 3.6Å; I1738-I1744 HydrophobicContact CG1-CD1 4.01Å; I1738-I1744 HydrophobicContact CG1-CG1 3.59Å; I1744-I1777 HydrophobicContact CD1-CB 4.22Å; I1744-I1777 HydrophobicContact CD1-CD1 3.93Å; I1744-I1777 HydrophobicContact CD1-CG1 3.93Å; I1744-I1777 HydrophobicContact CG1-CD1 4.48Å
1745D93.6Very high91.3Very high2 Ų246.5 Ų46.51%0.01124%0.236CC..EExtended strand (participates in β ladder)trans-87.1108.1170.5175.515.9000110.4G1710 H1711 V1713 R1721 Y1725 T1747G1710-D1745 CarbonylContact C-O 3.51Å; G1710-D1745 WeakPolarHBondContact CA-O 3.4Å; H1711-D1745 PolarHBondContact N-O 2.81Å; H1711-D1745 PolarHBondContact O-N 2.99Å; V1713-D1745 HydrophobicContact CG2-CB 4.39Å; R1721-D1745 WeakPolarHBondContact CD-OD2 3.33Å; R1721-D1745 IonicContact CZ-OD2 3.79Å; R1721-D1745 IonicContact NE-OD2 2.67Å; R1721-D1745 IonicContact NH1-OD2 2.61Å; R1721-D1745 PolarHBondContact NH1-OD2 2.82Å; Y1725-D1745 WeakPolarHBondContact CE2-OD2 3.23Å; Y1725-D1745 PolarHBondContact OH-OD2 3.09Å; Y1725-D1745 VanDerWaalsContact OH-OD2 3.12Å; D1745-T1747 WeakPolarHBondContact OD1-CB 3.35Å; D1745-T1747 PolarHBondContact OD1-N 3.35Å; D1745-T1747 PolarHBondContact OD1-OG1 3.05Å
1746A94.7Very high91.5Very high0 Ų044.6 Ų44.60%023%0.227CC..  trans-98.315.9176.600000113.8Y1708 Y1734 C1749 R1754Y1708-A1746 HydrophobicContact CE1-CB 3.76Å; Y1734-A1746 PolarHBondContact O-N 3.24Å; A1746-C1749 CarbonylContact C-O 3.45Å; A1746-C1749 VanDerWaalsContact CA-O 3.31Å; A1746-C1749 WeakPolarHBondContact CA-O 3.34Å; A1746-R1754 HydrophobicContact CB-CB 4.02Å; A1746-R1754 VanDerWaalsContact O-CD 3.25Å; A1746-R1754 WeakPolarHBondContact O-CD 3.43Å; A1746-R1754 PolarHBondContact O-NH1 3.48Å
1747T89Confident91.6Very high12 Ų1243 Ų437%0.07422%0.219CC..SBendtrans-68-56.9-174.2-52.80000111.7Y1725 I1730 Y1734 D1745 R1754Y1725-T1747 HydrophobicContact CD2-CG2 3.87Å; Y1725-T1747 HydrophobicContact CE1-CG2 4.47Å; Y1725-T1747 HydrophobicContact CE2-CG2 3.73Å; Y1725-T1747 WeakPolarHBondContact CE2-OG1 3.41Å; Y1725-T1747 HydrophobicContact CG-CG2 4.3Å; I1730-T1747 HydrophobicContact CG2-CG2 3.58Å; Y1734-T1747 HydrophobicContact CD2-CG2 4.43Å; D1745-T1747 WeakPolarHBondContact OD1-CB 3.35Å; D1745-T1747 PolarHBondContact OD1-N 3.35Å; D1745-T1747 PolarHBondContact OD1-OG1 3.05Å; T1747-R1754 PolarHBondContact O-NH1 3.01Å
1748M87Confident91.7Very high121 Ų12136 Ų3660%0.59619%0.194SC*.SBendtrans-90.3-38.4-176.4-63.4-61.1178.700113Y1725 I1730Y1725-M1748 HydrophobicContact CD1-CE 4.17Å; Y1725-M1748 HydrophobicContact CE1-CE 3.53Å; Y1725-M1748 HydrophobicContact CE1-CG 4.49Å; I1730-M1748 HydrophobicContact CD1-CE 3.62Å
1749C83.6Confident91.8Very high69 Ų6936 Ų3647%0.46619%0.194SC..SBendtrans-128.2132.3176.258.80000109.7G1710 A1746G1710-C1749 WeakPolarHBondContact CA-O 3.42Å; A1746-C1749 CarbonylContact C-O 3.45Å; A1746-C1749 VanDerWaalsContact CA-O 3.31Å; A1746-C1749 WeakPolarHBondContact CA-O 3.34Å
1750G89.6Confident92Very high37 Ų3735.3 Ų35.338%0.38119%0.192SC..  trans175.2170.7179.800000113V1709V1709-G1750 WeakPolarHBondContact O-CA 3.41Å
1751N91.9Very high92.3Very high43 Ų4335.1 Ų35.123%0.2319%0.187CC..  trans-103.4-174.9179.875.52.1000112.1E1707 V1709 A1753 R1754E1707-N1751 PolarHBondContact O-ND2 3.29Å; E1707-N1751 PolarHBondContact O-OD1 3.25Å; V1709-N1751 HydrophobicContact CB-CB 4.2Å; V1709-N1751 WeakPolarHBondContact CG2-ND2 3.46Å; V1709-N1751 PolarHBondContact O-N 3.19Å; N1751-A1753 PolarHBondContact O-N 3.49Å; N1751-A1753 WeakPolarHBondContact OD1-CB 3.37Å; N1751-A1753 PolarHBondContact OD1-N 3.42Å; N1751-R1754 WeakPolarHBondContact O-CG 3.24Å; N1751-R1754 PolarHBondContact O-N 2.98Å
1752N93.6Very high92.8Very high74 Ų7432.2 Ų32.240%0.39618%0.175SC..G310 helixtrans-62.7-12.5-177.9-67.6-5.8000114.8L1693 I1706 R1754 F1755L1693-N1752 HydrophobicContact CD1-CB 3.9Å; I1706-N1752 HydrophobicContact CD1-CB 4.33Å; N1752-R1754 PolarHBondContact O-N 2.7Å; N1752-F1755 PolarHBondContact O-N 3.32Å
1753A94.7Very high93.1Very high0 Ų030.4 Ų30.40%017%0.167CC..G310 helixtrans-65.9-26.117900000113I1706 E1707 Y1708 N1751 F1755 I1756I1706-A1753 HydrophobicContact CD1-CB 4.1Å; I1706-A1753 HydrophobicContact CG1-CB 4.2Å; I1706-A1753 HydrophobicContact CG2-CB 3.83Å; E1707-A1753 WeakPolarHBondContact O-CB 3.4Å; Y1708-A1753 HydrophobicContact CD2-CB 3.85Å; Y1708-A1753 HydrophobicContact CG-CB 4.46Å; N1751-A1753 PolarHBondContact O-N 3.49Å; N1751-A1753 WeakPolarHBondContact OD1-CB 3.37Å; N1751-A1753 PolarHBondContact OD1-N 3.42Å; A1753-F1755 PolarHBondContact O-N 3.32Å; A1753-F1755 VanDerWaalsContact O-N 3.1Å; A1753-I1756 HydrophobicContact CB-CD1 4.13Å; A1753-I1756 WeakPolarHBondContact O-CB 3.37Å; A1753-I1756 WeakPolarHBondContact O-CG1 3.24Å; A1753-I1756 PolarHBondContact O-N 3.29Å; A1753-I1756 VanDerWaalsContact O-N 3.09Å
1754R93.3Very high93.3Very high59 Ų5930 Ų3022%0.22317%0.165CC..G310 helixtrans-62.6-16177.179-174.3177.6163.20.2114.5Y1708 Y1734 A1746 T1747 N1751 N1752Y1708-R1754 HydrophobicContact CE2-CB 4.23Å; Y1734-R1754 HydrophobicContact CD1-CB 3.87Å; Y1734-R1754 HydrophobicContact CD1-CG 4.16Å; Y1734-R1754 HydrophobicContact CE1-CB 4.31Å; Y1734-R1754 HydrophobicContact CE1-CG 4.19Å; Y1734-R1754 WeakPolarHBondContact CE1-O 3.4Å; A1746-R1754 HydrophobicContact CB-CB 4.02Å; A1746-R1754 VanDerWaalsContact O-CD 3.25Å; A1746-R1754 WeakPolarHBondContact O-CD 3.43Å; A1746-R1754 PolarHBondContact O-NH1 3.48Å; T1747-R1754 PolarHBondContact O-NH1 3.01Å; N1751-R1754 WeakPolarHBondContact O-CG 3.24Å; N1751-R1754 PolarHBondContact O-N 2.98Å; N1752-R1754 PolarHBondContact O-N 2.7Å
1755F95.2Very high93.5Very high31 Ų3132.6 Ų32.614%0.13618%0.175CC..G310 helixtrans-98.15.8178.5-53.5-62.3000113.7F1683 G1692 N1752 A1753 N1757F1683-F1755 HydrophobicContact CD2-CB 3.97Å; F1683-F1755 HydrophobicContact CD2-CD1 4.37Å; F1683-F1755 AromaticContact CD2-CD2 3.41Å; F1683-F1755 HydrophobicContact CD2-CD2 3.41Å; F1683-F1755 VanDerWaalsContact CD2-CD2 3.41Å; F1683-F1755 AromaticContact CD2-CE2 3.89Å; F1683-F1755 HydrophobicContact CD2-CE2 3.89Å; F1683-F1755 AromaticContact CD2-CG 3.67Å; F1683-F1755 HydrophobicContact CD2-CG 3.67Å; F1683-F1755 HydrophobicContact CE2-CB 4.03Å; F1683-F1755 AromaticContact CE2-CD1 3.7Å; F1683-F1755 HydrophobicContact CE2-CD1 3.7Å; F1683-F1755 AromaticContact CE2-CD2 3.51Å; F1683-F1755 HydrophobicContact CE2-CD2 3.51Å; F1683-F1755 AromaticContact CE2-CE1 3.92Å; F1683-F1755 HydrophobicContact CE2-CE1 3.92Å; F1683-F1755 AromaticContact CE2-CE2 3.74Å; F1683-F1755 HydrophobicContact CE2-CE2 3.74Å; F1683-F1755 AromaticContact CE2-CG 3.47Å; F1683-F1755 HydrophobicContact CE2-CG 3.47Å; F1683-F1755 VanDerWaalsContact CE2-CG 3.47Å; F1683-F1755 AromaticContact CE2-CZ 3.93Å; F1683-F1755 HydrophobicContact CE2-CZ 3.93Å; F1683-F1755 HydrophobicContact CZ-CZ 4.5Å; G1692-F1755 WeakPolarHBondContact CA-O 3.44Å; N1752-F1755 PolarHBondContact O-N 3.32Å; A1753-F1755 PolarHBondContact O-N 3.32Å; A1753-F1755 VanDerWaalsContact O-N 3.1Å; F1755-N1757 PolarHBondContact O-N 2.94Å
1756I95.9Very high93.5Very high1 Ų134.3 Ų34.31%0.00519%0.189CC..PPolyproline II helixtrans-72127.2174.7-62.9166.2000109.3L1693 I1706 A1753 I1779 I1791 Y1793 Y1795L1693-I1756 HydrophobicContact CB-CG1 3.91Å; L1693-I1756 HydrophobicContact CD2-CD1 3.9Å; L1693-I1756 HydrophobicContact CD2-CG1 3.63Å; L1693-I1756 HydrophobicContact CG-CG1 4.43Å; I1706-I1756 HydrophobicContact CG2-CD1 3.86Å; A1753-I1756 HydrophobicContact CB-CD1 4.13Å; A1753-I1756 WeakPolarHBondContact O-CB 3.37Å; A1753-I1756 WeakPolarHBondContact O-CG1 3.24Å; A1753-I1756 PolarHBondContact O-N 3.29Å; A1753-I1756 VanDerWaalsContact O-N 3.09Å; I1756-I1779 HydrophobicContact CD1-CG1 3.99Å; I1756-I1779 HydrophobicContact CD1-CG2 4.43Å; I1756-I1791 HydrophobicContact CD1-CG2 4.06Å; I1756-I1791 HydrophobicContact CG1-CG2 4.16Å; I1756-I1791 HydrophobicContact CG2-CG2 4.01Å; I1756-I1791 WeakPolarHBondContact CG2-O 3.47Å; I1756-Y1793 HydrophobicContact CB-CD1 4.1Å; I1756-Y1793 HydrophobicContact CB-CE1 3.93Å; I1756-Y1793 HydrophobicContact CG2-CD1 3.41Å; I1756-Y1793 VanDerWaalsContact CG2-CD1 3.41Å; I1756-Y1793 HydrophobicContact CG2-CE1 3.76Å; I1756-Y1795 PolarHBondContact O-OH 3.48Å
1757N95.2Very high93.4Very high3 Ų337.7 Ų37.72%0.01620%0.204CC..EExtended strand (participates in β ladder)trans-87.8162.6-176-75.8-48.6000114R1570 S1686 I1688 H1689 W1691 F1755 E1790 T1792 Y1793 Y1795R1570-N1757 PolarHBondContact NH2-OD1 3.07Å; R1570-N1757 VanDerWaalsContact NH2-OD1 3.11Å; S1686-N1757 VanDerWaalsContact CB-ND2 3.32Å; S1686-N1757 WeakPolarHBondContact CB-ND2 3.32Å; S1686-N1757 PolarHBondContact OG-ND2 2.85Å; I1688-N1757 HydrophobicContact CB-CB 4.49Å; I1688-N1757 HydrophobicContact CG2-CB 4.32Å; H1689-N1757 PolarHBondContact O-ND2 3.01Å; H1689-N1757 VanDerWaalsContact O-ND2 3.14Å; W1691-N1757 PolarHBondContact O-ND2 3.28Å; F1755-N1757 PolarHBondContact O-N 2.94Å; N1757-E1790 PolarHBondContact ND2-OE1 2.83Å; N1757-T1792 VanDerWaalsContact O-CA 3.31Å; N1757-T1792 WeakPolarHBondContact O-CA 3.45Å; N1757-Y1793 PolarHBondContact O-N 3.19Å; N1757-Y1795 WeakPolarHBondContact CA-OH 3.47Å
1758H95.1Very high93.6Very high10 Ų1041.2 Ų41.25%0.04622%0.222CC..EExtended strand (participates in β ladder)trans-71.4139.2173.2178.651.9000112.3C1760 Y1793 D1794 Y1795 C1808 R1814H1758-C1760 PolarHBondContact NE2-SG 3.11Å; H1758-C1760 VanDerWaalsContact NE2-SG 3.42Å; H1758-Y1793 WeakPolarHBondContact CA-O 3.43Å; H1758-Y1793 PolarHBondContact ND1-O 3.04Å; H1758-D1794 IonicContact CE1-OD1 3.58Å; H1758-D1794 PolarHBondContact CE1-OD1 3.08Å; H1758-D1794 IonicContact ND1-OD1 3.89Å; H1758-Y1795 HydrophobicContact CB-CD1 3.87Å; H1758-Y1795 HydrophobicContact CB-CD2 3.85Å; H1758-Y1795 HydrophobicContact CB-CE1 3.99Å; H1758-Y1795 HydrophobicContact CB-CE2 3.96Å; H1758-Y1795 HydrophobicContact CB-CG 3.82Å; H1758-Y1795 PolarHBondContact ND1-N 3.4Å; H1758-C1808 WeakPolarHBondContact O-CB 3.13Å; H1758-R1814 PolarHBondContact CE1-NH2 3.25Å
1759S95Very high93.7Very high8 Ų836 Ų366%0.05620%0.196CC..  trans-138.6139.8157.6177.60000111.1Q1761 P1762 Y1793S1759-Q1761 PolarHBondContact O-N 3.43Å; S1759-Q1761 PolarHBondContact OG-N 3.33Å; S1759-Q1761 VanDerWaalsContact OG-N 3.13Å; S1759-Q1761 PolarHBondContact OG-O 3.46Å; S1759-Q1761 VanDerWaalsContact OG-O 3.11Å; S1759-P1762 WeakPolarHBondContact O-CD 3.35Å; S1759-Y1793 PolarHBondContact N-O 2.98Å
1760C94.1Very high93.9Very high21 Ų2139.3 Ų39.314%0.14221%0.206CC..SBendtrans-69.7-23.6171-50.80000112.1H1758 P1762 R1814H1758-C1760 PolarHBondContact NE2-SG 3.11Å; H1758-C1760 VanDerWaalsContact NE2-SG 3.42Å; C1760-P1762 VanDerWaalsContact C-CD 3.43Å; C1760-P1762 WeakPolarHBondContact O-CD 3.22Å; C1760-R1814 HydrophobicContact CB-CG 4.34Å; C1760-R1814 PolarHBondContact SG-N 3.26Å; C1760-R1814 VanDerWaalsContact SG-N 3.43Å
1761Q94.2Very high93.7Very high113 Ų11337.6 Ų37.653%0.52819%0.188SC..SBendtrans-120.571.7171.3-169.1-178.2-10.400108.9S1759S1759-Q1761 PolarHBondContact O-N 3.43Å; S1759-Q1761 PolarHBondContact OG-N 3.33Å; S1759-Q1761 VanDerWaalsContact OG-N 3.13Å; S1759-Q1761 PolarHBondContact OG-O 3.46Å; S1759-Q1761 VanDerWaalsContact OG-O 3.11Å
1762P96.1Very high93.2Very high16 Ų1641.8 Ų41.810%0.10421%0.207CC..  trans-79.6155.4-170.832.8-35.4000112.6S1759 C1760 T1792 Y1793 D1794S1759-P1762 WeakPolarHBondContact O-CD 3.35Å; C1760-P1762 VanDerWaalsContact C-CD 3.43Å; C1760-P1762 WeakPolarHBondContact O-CD 3.22Å; P1762-T1792 WeakPolarHBondContact CB-O 3.25Å; P1762-Y1793 VanDerWaalsContact CB-CA 3.48Å; P1762-D1794 HydrophobicContact CG-CB 4.26Å
1763N96.8Very high92.6Very high3 Ų344.1 Ų44.12%0.01623%0.229CC..SBendtrans-88.5-13.4170.657.910.5000113.7K1782 R1783 I1785 E1789 E1790 T1792N1763-K1782 PolarHBondContact O-N 3.27Å; N1763-R1783 HydrophobicContact CB-CG 4.41Å; N1763-I1785 HydrophobicContact CB-CD1 4.05Å; N1763-I1785 HydrophobicContact CB-CG1 4.13Å; N1763-E1789 PolarHBondContact ND2-OE1 3.49Å; N1763-E1790 PolarHBondContact ND2-O 3.44Å; N1763-T1792 PolarHBondContact N-OG1 3.1Å; N1763-T1792 PolarHBondContact OD1-N 3.38Å; N1763-T1792 PolarHBondContact OD1-O 3.13Å; N1763-T1792 PolarHBondContact OD1-OG1 2.89Å
1764C97.7Very high92Very high0 Ų051 Ų510%026%0.259CS..EExtended strand (participates in β ladder)trans-125.9170.1176.8-67.40000113.7I1779 Y1780 K1782 I1785 I1791 T1792C1764-I1779 HydrophobicContact CB-CG2 3.63Å; C1764-Y1780 CarbonylContact C-O 3.57Å; C1764-Y1780 WeakPolarHBondContact CA-O 3.45Å; C1764-Y1780 WeakPolarHBondContact CB-O 3.45Å; C1764-K1782 WeakPolarHBondContact O-CE 3.21Å; C1764-I1785 VanDerWaalsContact SG-CD1 3.56Å; C1764-I1791 HydrophobicContact CB-CG2 4.38Å; C1764-T1792 WeakPolarHBondContact CA-O 3.45Å; C1764-T1792 WeakPolarHBondContact CB-O 3.46Å; C1764-T1792 PolarHBondContact N-O 2.89Å
1765Y96.8Very high91.8Very high61 Ų6152.8 Ų52.824%0.23927%0.268CS..EExtended strand (participates in β ladder)trans-141.1158.7169.767.7-76.3000110.6E1702 K1767 I1779 Y1780 K1782E1702-Y1765 PolarHBondContact OE2-OH 3.46Å; Y1765-K1767 HydrophobicContact CD2-CB 4.48Å; Y1765-K1767 HydrophobicContact CE2-CB 4.09Å; Y1765-I1779 CarbonylContact O-C 3.49Å; Y1765-I1779 WeakPolarHBondContact O-CA 3.5Å; Y1765-Y1780 WeakPolarHBondContact CD1-O 3.39Å; Y1765-Y1780 VanDerWaalsContact CE1-CB 3.44Å; Y1765-Y1780 HydrophobicContact CE1-CG 4.47Å; Y1765-Y1780 PolarHBondContact N-O 2.98Å; Y1765-Y1780 PolarHBondContact O-N 3.5Å; Y1765-K1782 HydrophobicContact CD1-CG 3.59Å; Y1765-K1782 HydrophobicContact CE1-CG 4.36Å; Y1765-K1782 HydrophobicContact CG-CG 4.39Å
1766A95.1Very high91.7Very high39 Ų3953.8 Ų53.832%0.32227%0.272SS..EExtended strand (participates in β ladder)trans-93.7140.7171.300000110.3F1736 I1777 I1779F1736-A1766 HydrophobicContact CE2-CB 4.48Å; F1736-A1766 HydrophobicContact CZ-CB 3.7Å; A1766-I1777 HydrophobicContact CB-CG2 4.02Å; A1766-I1779 HydrophobicContact CB-CD1 3.84Å
1767K92.6Very high91.5Very high70 Ų7053.8 Ų53.830%0.30427%0.272SS..EExtended strand (participates in β ladder)trans-132.4138.7173.4-172-177-177.6-1760109.2D1667 Y1765 V1778 Y1780D1667-K1767 IonicContact OD1-NZ 3.53Å; D1667-K1767 WeakPolarHBondContact OD2-CE 3.13Å; D1667-K1767 IonicContact OD2-NZ 3.73Å; D1667-K1767 PolarHBondContact OD2-NZ 2.83Å; Y1765-K1767 HydrophobicContact CD2-CB 4.48Å; Y1765-K1767 HydrophobicContact CE2-CB 4.09Å; K1767-V1778 PolarHBondContact N-O 3.13Å; K1767-V1778 PolarHBondContact O-N 3.44Å; K1767-Y1780 HydrophobicContact CB-CD2 3.85Å; K1767-Y1780 HydrophobicContact CB-CE2 3.73Å; K1767-Y1780 HydrophobicContact CD-CE2 4.01Å; K1767-Y1780 HydrophobicContact CG-CE2 4.37Å
1768I92.4Very high91.5Very high87 Ų8753.7 Ų53.745%0.44627%0.272SS..EExtended strand (participates in β ladder)trans-85.8130.6172-56.3154.4000107.8I1738 K1775 K1776 I1777I1738-I1768 HydrophobicContact CG2-CG1 4.45Å; I1738-I1768 HydrophobicContact CG2-CG2 4.2Å; I1738-I1768 WeakPolarHBondContact O-CD1 3.47Å; I1768-K1775 HydrophobicContact CG2-CB 4.09Å; I1768-K1776 CarbonylContact C-O 3.57Å; I1768-K1776 WeakPolarHBondContact CA-O 3.37Å; I1768-I1777 HydrophobicContact CG1-CG1 4.41Å
1769I90Very high91.5Very high10 Ų1053.2 Ų53.25%0.05127%0.269CS..EExtended strand (participates in β ladder)trans-123.5150.3173.460.6168.9000109.5D1667 F1671 M1704 V1771 K1776 V1778D1667-I1769 HydrophobicContact CB-CG2 4.32Å; F1671-I1769 HydrophobicContact CB-CD1 3.94Å; F1671-I1769 HydrophobicContact CD2-CD1 3.54Å; F1671-I1769 HydrophobicContact CE2-CD1 4.23Å; F1671-I1769 HydrophobicContact CG-CD1 3.82Å; M1704-I1769 HydrophobicContact CE-CD1 3.97Å; I1769-V1771 HydrophobicContact CD1-CG2 3.7Å; I1769-V1771 HydrophobicContact CG1-CG2 4.06Å; I1769-K1776 HydrophobicContact CG1-CB 4.21Å; I1769-K1776 PolarHBondContact N-O 2.95Å; I1769-K1776 PolarHBondContact O-N 3.12Å; I1769-V1778 HydrophobicContact CD1-CB 4.41Å; I1769-V1778 HydrophobicContact CD1-CG2 3.56Å; I1769-V1778 HydrophobicContact CG1-CG2 3.92Å
1770M86.9Confident91.6Very high139 Ų13953 Ų5369%0.68527%0.267SS*.EExtended strand (participates in β ladder)trans-97.9125.6170.7-63.1-155.6-61.300109.9K1774 K1775M1770-K1774 WeakPolarHBondContact CA-O 3.21Å; M1770-K1775 HydrophobicContact CG-CG 4.46Å
1771V84.8Confident91.7Very high2 Ų252 Ų521%0.01226%0.261CS..EExtended strand (participates in β ladder)trans-136.1127.4177.9-177.80000108L1668 F1671 I1769 S1773 K1774 K1776L1668-V1771 HydrophobicContact CD1-CB 4.29Å; L1668-V1771 HydrophobicContact CD1-CG1 3.82Å; L1668-V1771 HydrophobicContact CD1-CG2 4.06Å; F1671-V1771 HydrophobicContact CB-CG2 4.48Å; F1671-V1771 HydrophobicContact CD1-CB 4.24Å; F1671-V1771 HydrophobicContact CD1-CG1 3.74Å; F1671-V1771 HydrophobicContact CD1-CG2 3.6Å; F1671-V1771 HydrophobicContact CE1-CB 4.17Å; F1671-V1771 HydrophobicContact CE1-CG1 3.67Å; F1671-V1771 HydrophobicContact CE1-CG2 3.87Å; F1671-V1771 HydrophobicContact CG-CG2 3.95Å; F1671-V1771 HydrophobicContact CZ-CG2 4.46Å; I1769-V1771 HydrophobicContact CD1-CG2 3.7Å; I1769-V1771 HydrophobicContact CG1-CG2 4.06Å; V1771-S1773 PolarHBondContact O-N 3.31Å; V1771-K1774 PolarHBondContact N-O 3.29Å; V1771-K1774 PolarHBondContact O-N 3.03Å; V1771-K1776 HydrophobicContact CB-CD 4.16Å; V1771-K1776 HydrophobicContact CG2-CD 4.3Å
1772E82Confident91.7Very high131 Ų13151.3 Ų51.361%0.61226%0.256SS*.THydrogen-bonded Turntrans52.347.2179.8-59.5152.7-138.800110.7K1675 K1774K1675-E1772 IonicContact NZ-OE1 2.74Å; K1675-E1772 PolarHBondContact NZ-OE1 3.49Å; E1772-K1774 PolarHBondContact O-N 3.4Å
1773S79.8Confident91.7Very high123 Ų12355.9 Ų55.986%0.8627%0.271SS*.THydrogen-bonded Turntrans52.211.5-171.558.20000117.3V1771V1771-S1773 PolarHBondContact O-N 3.31Å
1774K83.7Confident91.5Very high145 Ų14560.5 Ų60.563%0.6330%0.296SS*.EExtended strand (participates in β ladder)trans-106.9135177.6-65.9173.6-174.8-178.90111.5M1770 V1771 E1772M1770-K1774 WeakPolarHBondContact CA-O 3.21Å; V1771-K1774 PolarHBondContact N-O 3.29Å; V1771-K1774 PolarHBondContact O-N 3.03Å; E1772-K1774 PolarHBondContact O-N 3.4Å
1775K89.1Confident91.4Very high96 Ų9660.7 Ų60.742%0.41730%0.297SS..EExtended strand (participates in β ladder)trans-71.6130.8172-59.6179-167.2173.40109.4I1738 D1739 I1768 M1770I1738-K1775 HydrophobicContact CG2-CB 3.79Å; I1738-K1775 HydrophobicContact CG2-CD 4.24Å; D1739-K1775 VanDerWaalsContact OD2-CD 3.28Å; D1739-K1775 WeakPolarHBondContact OD2-CD 3.43Å; D1739-K1775 WeakPolarHBondContact OD2-CE 3.27Å; D1739-K1775 IonicContact OD2-NZ 3.99Å; D1739-K1775 PolarHBondContact OD2-NZ 2.92Å; I1768-K1775 HydrophobicContact CG2-CB 4.09Å; M1770-K1775 HydrophobicContact CG-CG 4.46Å
1776K91.6Very high91.3Very high51 Ų5162.4 Ų62.422%0.22231%0.31CS..EExtended strand (participates in β ladder)trans-132.7142.2177.6-76.3175.1171.1-92.50110.3F1671 E1707 I1768 I1769 V1771F1671-K1776 HydrophobicContact CE1-CD 4.24Å; F1671-K1776 HydrophobicContact CE2-CD 4.22Å; F1671-K1776 HydrophobicContact CZ-CD 3.66Å; E1707-K1776 WeakPolarHBondContact OE1-CD 3.33Å; E1707-K1776 IonicContact OE1-NZ 2.66Å; E1707-K1776 PolarHBondContact OE1-NZ 3.43Å; E1707-K1776 IonicContact OE2-NZ 2.63Å; I1768-K1776 CarbonylContact C-O 3.57Å; I1768-K1776 WeakPolarHBondContact CA-O 3.37Å; I1769-K1776 HydrophobicContact CG1-CB 4.21Å; I1769-K1776 PolarHBondContact N-O 2.95Å; I1769-K1776 PolarHBondContact O-N 3.12Å; V1771-K1776 HydrophobicContact CB-CD 4.16Å; V1771-K1776 HydrophobicContact CG2-CD 4.3Å
1777I93.6Very high91.3Very high2 Ų263.3 Ų63.31%0.0131%0.312CS..EExtended strand (participates in β ladder)trans-93.6124.2174.8-57.5-178.2000108.9Y1708 F1736 I1738 I1744 A1766 I1768Y1708-I1777 PolarHBondContact N-O 2.98Å; F1736-I1777 HydrophobicContact CB-CD1 4.4Å; F1736-I1777 HydrophobicContact CD1-CD1 3.35Å; F1736-I1777 HydrophobicContact CD2-CD1 4.45Å; F1736-I1777 HydrophobicContact CE1-CD1 3.66Å; F1736-I1777 HydrophobicContact CE1-CG2 4.19Å; F1736-I1777 HydrophobicContact CE2-CG2 4.08Å; F1736-I1777 HydrophobicContact CG-CD1 3.82Å; F1736-I1777 HydrophobicContact CZ-CD1 4.33Å; F1736-I1777 HydrophobicContact CZ-CG2 3.89Å; I1738-I1777 HydrophobicContact CB-CD1 4.44Å; I1738-I1777 HydrophobicContact CG1-CD1 4.04Å; I1738-I1777 HydrophobicContact CG1-CG1 4.32Å; I1738-I1777 HydrophobicContact CG2-CG1 4.44Å; I1744-I1777 HydrophobicContact CD1-CB 4.22Å; I1744-I1777 HydrophobicContact CD1-CD1 3.93Å; I1744-I1777 HydrophobicContact CD1-CG1 3.93Å; I1744-I1777 HydrophobicContact CG1-CD1 4.48Å; A1766-I1777 HydrophobicContact CB-CG2 4.02Å; I1768-I1777 HydrophobicContact CG1-CG1 4.41Å
1778V94.7Very high91.3Very high0 Ų064.8 Ų64.80%032%0.321CS..EExtended strand (participates in β ladder)trans-124.6137.7176.5178.10000109.9F1671 M1704 E1707 K1767 I1769 Y1780F1671-V1778 HydrophobicContact CD2-CG2 4.06Å; F1671-V1778 HydrophobicContact CE2-CG2 4.11Å; M1704-V1778 HydrophobicContact CB-CG1 3.9Å; M1704-V1778 HydrophobicContact CE-CG1 4.47Å; M1704-V1778 HydrophobicContact CG-CG1 3.79Å; M1704-V1778 HydrophobicContact SD-CG1 4.11Å; E1707-V1778 HydrophobicContact CB-CG2 4.34Å; E1707-V1778 HydrophobicContact CG-CG2 4.31Å; K1767-V1778 PolarHBondContact N-O 3.13Å; K1767-V1778 PolarHBondContact O-N 3.44Å; I1769-V1778 HydrophobicContact CD1-CB 4.41Å; I1769-V1778 HydrophobicContact CD1-CG2 3.56Å; I1769-V1778 HydrophobicContact CG1-CG2 3.92Å; V1778-Y1780 HydrophobicContact CB-CD2 4.37Å; V1778-Y1780 HydrophobicContact CB-CE2 3.95Å; V1778-Y1780 HydrophobicContact CG1-CD2 4.05Å; V1778-Y1780 HydrophobicContact CG1-CE2 3.82Å
1779I95.7Very high91.4Very high0 Ų062.6 Ų62.60%031%0.309CS..EExtended strand (participates in β ladder)trans-87.1128.7176.7-52.5-56000109.1V1705 I1706 I1756 C1764 Y1765 A1766 Y1793V1705-I1779 HydrophobicContact CB-CG2 4.4Å; V1705-I1779 PolarHBondContact N-O 3.25Å; I1706-I1779 HydrophobicContact CG2-CB 4.13Å; I1706-I1779 HydrophobicContact CG2-CG1 4.08Å; I1706-I1779 PolarHBondContact O-N 3.4Å; I1756-I1779 HydrophobicContact CD1-CG1 3.99Å; I1756-I1779 HydrophobicContact CD1-CG2 4.43Å; C1764-I1779 HydrophobicContact CB-CG2 3.63Å; Y1765-I1779 CarbonylContact O-C 3.49Å; Y1765-I1779 WeakPolarHBondContact O-CA 3.5Å; A1766-I1779 HydrophobicContact CB-CD1 3.84Å; I1779-Y1793 HydrophobicContact CD1-CD1 4.31Å; I1779-Y1793 HydrophobicContact CD1-CE1 4.44Å
1780Y95.5Very high91.7Very high3 Ų363.3 Ų63.31%0.01231%0.312CS..EExtended strand (participates in β ladder)trans-117.7147.2177.6-75-115.8000111D1667 K1670 E1703 M1704 C1764 Y1765 K1767 V1778D1667-Y1780 PolarHBondContact OD1-OH 2.88Å; D1667-Y1780 PolarHBondContact OD2-OH 2.95Å; K1670-Y1780 HydrophobicContact CD-CE1 4.46Å; E1703-Y1780 CarbonylContact O-C 3.52Å; E1703-Y1780 VanDerWaalsContact O-CA 3.23Å; E1703-Y1780 WeakPolarHBondContact O-CA 3.4Å; M1704-Y1780 HydrophobicContact CE-CE1 4.24Å; M1704-Y1780 HydrophobicContact CE-CE2 4.16Å; M1704-Y1780 WeakPolarHBondContact CE-OH 3.31Å; M1704-Y1780 HydrophobicContact CG-CD1 4.01Å; M1704-Y1780 HydrophobicContact CG-CD2 4.3Å; M1704-Y1780 HydrophobicContact CG-CE1 3.6Å; M1704-Y1780 HydrophobicContact CG-CE2 3.89Å; M1704-Y1780 HydrophobicContact CG-CG 4.38Å; C1764-Y1780 CarbonylContact C-O 3.57Å; C1764-Y1780 WeakPolarHBondContact CA-O 3.45Å; C1764-Y1780 WeakPolarHBondContact CB-O 3.45Å; Y1765-Y1780 WeakPolarHBondContact CD1-O 3.39Å; Y1765-Y1780 VanDerWaalsContact CE1-CB 3.44Å; Y1765-Y1780 HydrophobicContact CE1-CG 4.47Å; Y1765-Y1780 PolarHBondContact N-O 2.98Å; Y1765-Y1780 PolarHBondContact O-N 3.5Å; K1767-Y1780 HydrophobicContact CB-CD2 3.85Å; K1767-Y1780 HydrophobicContact CB-CE2 3.73Å; K1767-Y1780 HydrophobicContact CD-CE2 4.01Å; K1767-Y1780 HydrophobicContact CG-CE2 4.37Å; V1778-Y1780 HydrophobicContact CB-CD2 4.37Å; V1778-Y1780 HydrophobicContact CB-CE2 3.95Å; V1778-Y1780 HydrophobicContact CG1-CD2 4.05Å; V1778-Y1780 HydrophobicContact CG1-CE2 3.82Å
1781S96.5Very high92.2Very high0 Ų056.7 Ų56.70%028%0.279CS..EExtended strand (participates in β ladder)trans-76.7131.7172.5560000111.7A1700 E1702 E1703A1700-S1781 PolarHBondContact O-OG 3.08Å; E1702-S1781 VanDerWaalsContact CA-O 3.25Å; E1702-S1781 WeakPolarHBondContact CA-O 3.4Å; E1702-S1781 PolarHBondContact N-O 2.8Å; E1702-S1781 PolarHBondContact N-OG 3Å; E1703-S1781 PolarHBondContact N-OG 2.91Å; E1703-S1781 PolarHBondContact O-N 3.02Å; E1703-S1781 PolarHBondContact O-OG 3.22Å
1782K94.7Very high92.8Very high100 Ų10057 Ų5744%0.43528%0.281SS..SBendtrans-79.5-23.8172-65-173.7177.4-173.60113.3N1763 C1764 Y1765N1763-K1782 PolarHBondContact O-N 3.27Å; C1764-K1782 WeakPolarHBondContact O-CE 3.21Å; Y1765-K1782 HydrophobicContact CD1-CG 3.59Å; Y1765-K1782 HydrophobicContact CE1-CG 4.36Å; Y1765-K1782 HydrophobicContact CG-CG 4.39Å
1783R95Very high93.5Very high111 Ų11151.9 Ų51.942%0.41926%0.257SS..SBendtrans-151.1174.4-174.561.1163173.880.5-4.5109.9N1763 E1789N1763-R1783 HydrophobicContact CB-CG 4.41Å; R1783-E1789 IonicContact CZ-OE1 3.88Å; R1783-E1789 IonicContact NH1-OE1 3.74Å; R1783-E1789 PolarHBondContact NH1-OE1 3.41Å; R1783-E1789 IonicContact NH1-OE2 3.01Å; R1783-E1789 PolarHBondContact NH1-OE2 3.33Å; R1783-E1789 IonicContact NH2-OE1 2.76Å; R1783-E1789 PolarHBondContact NH2-OE1 3.12Å
1784D93.9Very high94.2Very high101 Ų10147.7 Ų47.754%0.5423%0.225SC..  trans-61.8136.1167.9-61.5-19.1000110.5I1699 A1700 A1701I1699-D1784 CarbonylContact O-C 3.59Å; I1699-D1784 WeakPolarHBondContact O-CA 3.38Å; A1700-D1784 WeakPolarHBondContact CA-OD1 3.41Å; A1700-D1784 VanDerWaalsContact CB-OD1 3.27Å; A1700-D1784 WeakPolarHBondContact CB-OD1 3.27Å; A1701-D1784 PolarHBondContact N-OD1 2.87Å
1785I96Very high94.6Very high3 Ų343 Ų432%0.01520%0.203CC..BIsolated β-bridgetrans-120.1129-178.7-55.3-178.1000107.9A1695 I1699 N1763 C1764 E1789 I1791A1695-I1785 HydrophobicContact CB-CG2 4.15Å; I1699-I1785 HydrophobicContact CB-CB 4.27Å; I1699-I1785 PolarHBondContact N-O 3.29Å; I1699-I1785 VanDerWaalsContact N-O 3.13Å; I1699-I1785 PolarHBondContact O-N 2.87Å; N1763-I1785 HydrophobicContact CB-CD1 4.05Å; N1763-I1785 HydrophobicContact CB-CG1 4.13Å; C1764-I1785 VanDerWaalsContact SG-CD1 3.56Å; I1785-E1789 HydrophobicContact CG2-CB 3.81Å; I1785-E1789 HydrophobicContact CG2-CG 4.21Å; I1785-I1791 HydrophobicContact CD1-CD1 3.79Å; I1785-I1791 HydrophobicContact CG2-CD1 4.04Å
1786N94.7Very high94.5Very high97 Ų9746.5 Ų46.552%0.51922%0.218SC..  trans-83.1161.3-178.4-72-65.9000112.6E1789N1786-E1789 HydrophobicContact CB-CB 4.47Å; N1786-E1789 PolarHBondContact N-OE2 2.98Å; N1786-E1789 WeakPolarHBondContact O-CB 3.48Å; N1786-E1789 PolarHBondContact O-N 3.48Å; N1786-E1789 VanDerWaalsContact O-N 3.16Å
1787V94.6Very high94.3Very high58 Ų5848.2 Ų48.235%0.35223%0.226SC..THydrogen-bonded Turntrans-63.2138.1169.1-1760000109.1L1696 P1698 E1789L1696-V1787 WeakPolarHBondContact O-CG1 3.42Å; P1698-V1787 HydrophobicContact CB-CG2 4.42Å; P1698-V1787 HydrophobicContact CG-CG2 4.49Å; V1787-E1789 VanDerWaalsContact C-N 3.27Å; V1787-E1789 PolarHBondContact O-N 2.97Å
1788M92Very high93.8Very high102 Ų10252.2 Ų52.250%0.50225%0.252SS..THydrogen-bonded Turntrans65.914.6-170.3-54.2-56.6166.600116I1694 A1695 L1696I1694-M1788 HydrophobicContact CG2-SD 4.32Å; A1695-M1788 PolarHBondContact O-N 2.88Å; L1696-M1788 HydrophobicContact CD2-CE 3.53Å; L1696-M1788 HydrophobicContact CD2-SD 3.96Å
1789E94.4Very high93.3Very high40 Ų4062.1 Ų62.119%0.18729%0.291CS..PPolyproline II helixtrans-85.2138.6170.3-160.4-176.1143.200111.1A1695 N1763 R1783 I1785 N1786 V1787A1695-E1789 PolarHBondContact N-O 3.02Å; N1763-E1789 PolarHBondContact ND2-OE1 3.49Å; R1783-E1789 IonicContact CZ-OE1 3.88Å; R1783-E1789 IonicContact NH1-OE1 3.74Å; R1783-E1789 PolarHBondContact NH1-OE1 3.41Å; R1783-E1789 IonicContact NH1-OE2 3.01Å; R1783-E1789 PolarHBondContact NH1-OE2 3.33Å; R1783-E1789 IonicContact NH2-OE1 2.76Å; R1783-E1789 PolarHBondContact NH2-OE1 3.12Å; I1785-E1789 HydrophobicContact CG2-CB 3.81Å; I1785-E1789 HydrophobicContact CG2-CG 4.21Å; N1786-E1789 HydrophobicContact CB-CB 4.47Å; N1786-E1789 PolarHBondContact N-OE2 2.98Å; N1786-E1789 WeakPolarHBondContact O-CB 3.48Å; N1786-E1789 PolarHBondContact O-N 3.48Å; N1786-E1789 VanDerWaalsContact O-N 3.16Å; V1787-E1789 VanDerWaalsContact C-N 3.27Å; V1787-E1789 PolarHBondContact O-N 2.97Å
1790E96.6Very high92.9Very high25 Ų2566.9 Ų66.912%0.11731%0.313CS..EExtended strand (participates in β ladder)trans-75.9130.5175.3-174.1175.1-178.800110.9S1686 P1687 G1692 I1694 N1757 N1763 T1792S1686-E1790 VanDerWaalsContact CB-OE1 3.25Å; S1686-E1790 WeakPolarHBondContact CB-OE1 3.42Å; S1686-E1790 PolarHBondContact OG-OE1 3.47Å; S1686-E1790 PolarHBondContact OG-OE2 3.4Å; P1687-E1790 VanDerWaalsContact CD-OE2 3.31Å; P1687-E1790 WeakPolarHBondContact CD-OE2 3.4Å; G1692-E1790 WeakPolarHBondContact CA-OE1 3.35Å; I1694-E1790 HydrophobicContact CG1-CB 4.45Å; N1757-E1790 PolarHBondContact ND2-OE1 2.83Å; N1763-E1790 PolarHBondContact ND2-O 3.44Å; E1790-T1792 HydrophobicContact CG-CG2 4.25Å
1791I97.6Very high92.3Very high0 Ų075.7 Ų75.70%035%0.354CS..EExtended strand (participates in β ladder)trans-71.8130.4171.2-55.6-57000108.6L1681 L1693 A1695 I1699 V1705 I1756 C1764 I1785L1681-I1791 HydrophobicContact CD2-CD1 4.45Å; L1681-I1791 HydrophobicContact CD2-CG1 4.11Å; L1693-I1791 HydrophobicContact CB-CB 4.42Å; L1693-I1791 WeakPolarHBondContact O-CB 3.46Å; L1693-I1791 WeakPolarHBondContact O-CG1 3.32Å; L1693-I1791 PolarHBondContact O-N 2.94Å; A1695-I1791 HydrophobicContact CB-CD1 4.3Å; I1699-I1791 HydrophobicContact CD1-CD1 4.23Å; V1705-I1791 HydrophobicContact CG1-CD1 4.29Å; V1705-I1791 HydrophobicContact CG1-CG1 4.41Å; V1705-I1791 HydrophobicContact CG1-CG2 4.44Å; I1756-I1791 HydrophobicContact CD1-CG2 4.06Å; I1756-I1791 HydrophobicContact CG1-CG2 4.16Å; I1756-I1791 HydrophobicContact CG2-CG2 4.01Å; I1756-I1791 WeakPolarHBondContact CG2-O 3.47Å; C1764-I1791 HydrophobicContact CB-CG2 4.38Å; I1785-I1791 HydrophobicContact CD1-CD1 3.79Å; I1785-I1791 HydrophobicContact CG2-CD1 4.04Å
1792T97.5Very high91.9Very high10 Ų1082.4 Ų82.46%0.06139%0.39CS..EExtended strand (participates in β ladder)trans-144.1147.1-179.6540000111.5I1688 N1757 P1762 N1763 C1764 E1790I1688-T1792 HydrophobicContact CD1-CG2 3.72Å; N1757-T1792 VanDerWaalsContact O-CA 3.31Å; N1757-T1792 WeakPolarHBondContact O-CA 3.45Å; P1762-T1792 WeakPolarHBondContact CB-O 3.25Å; N1763-T1792 PolarHBondContact N-OG1 3.1Å; N1763-T1792 PolarHBondContact OD1-N 3.38Å; N1763-T1792 PolarHBondContact OD1-O 3.13Å; N1763-T1792 PolarHBondContact OD1-OG1 2.89Å; C1764-T1792 WeakPolarHBondContact CA-O 3.45Å; C1764-T1792 WeakPolarHBondContact CB-O 3.46Å; C1764-T1792 PolarHBondContact N-O 2.89Å; E1790-T1792 HydrophobicContact CG-CG2 4.25Å
1793Y96.6Very high91.6Very high23 Ų2385 Ų859%0.0940%0.401CS..EExtended strand (participates in β ladder)trans-133.6166.1171.171.8-89.7000112.1F1736 I1756 N1757 H1758 S1759 P1762 I1779 Y1795F1736-Y1793 HydrophobicContact CE2-CE2 4.05Å; F1736-Y1793 AromaticContact CE2-CZ 3.78Å; F1736-Y1793 WeakPolarHBondContact CE2-OH 3.49Å; F1736-Y1793 HydrophobicContact CZ-CE2 4.09Å; I1756-Y1793 HydrophobicContact CB-CD1 4.1Å; I1756-Y1793 HydrophobicContact CB-CE1 3.93Å; I1756-Y1793 HydrophobicContact CG2-CD1 3.41Å; I1756-Y1793 VanDerWaalsContact CG2-CD1 3.41Å; I1756-Y1793 HydrophobicContact CG2-CE1 3.76Å; N1757-Y1793 PolarHBondContact O-N 3.19Å; H1758-Y1793 WeakPolarHBondContact CA-O 3.43Å; H1758-Y1793 PolarHBondContact ND1-O 3.04Å; S1759-Y1793 PolarHBondContact N-O 2.98Å; P1762-Y1793 VanDerWaalsContact CB-CA 3.48Å; I1779-Y1793 HydrophobicContact CD1-CD1 4.31Å; I1779-Y1793 HydrophobicContact CD1-CE1 4.44Å; Y1793-Y1795 HydrophobicContact CD1-CE1 4.45Å; Y1793-Y1795 AromaticContact CD2-CD1 3.98Å; Y1793-Y1795 HydrophobicContact CD2-CD1 3.98Å; Y1793-Y1795 HydrophobicContact CD2-CE1 4.47Å; Y1793-Y1795 HydrophobicContact CE1-CD1 4.31Å; Y1793-Y1795 AromaticContact CE1-CE1 3.88Å; Y1793-Y1795 HydrophobicContact CE1-CE1 3.88Å; Y1793-Y1795 AromaticContact CE2-CD1 3.5Å; Y1793-Y1795 HydrophobicContact CE2-CD1 3.5Å; Y1793-Y1795 VanDerWaalsContact CE2-CD1 3.5Å; Y1793-Y1795 AromaticContact CE2-CE1 3.92Å; Y1793-Y1795 HydrophobicContact CE2-CE1 3.92Å; Y1793-Y1795 AromaticContact CZ-CD1 3.66Å; Y1793-Y1795 AromaticContact CZ-CE1 3.56Å
1794D93.9Very high91.2Very high35 Ų3583 Ų8319%0.18740%0.399CS..  trans-82.9121.2172.6-175.11.7000109.4H1758 P1762 K1796 R1814H1758-D1794 IonicContact CE1-OD1 3.58Å; H1758-D1794 PolarHBondContact CE1-OD1 3.08Å; H1758-D1794 IonicContact ND1-OD1 3.89Å; P1762-D1794 HydrophobicContact CG-CB 4.26Å; D1794-K1796 HydrophobicContact CB-CG 4.39Å; D1794-K1796 PolarHBondContact O-N 3.33Å; D1794-K1796 PolarHBondContact OD1-N 2.89Å; D1794-K1796 VanDerWaalsContact OD1-N 3.08Å; D1794-R1814 IonicContact OD1-CZ 3.58Å; D1794-R1814 IonicContact OD1-NH1 3.79Å; D1794-R1814 PolarHBondContact OD1-NH1 2.98Å; D1794-R1814 IonicContact OD1-NH2 2.72Å; D1794-R1814 PolarHBondContact OD1-NH2 3.43Å; D1794-R1814 IonicContact OD2-CZ 2.7Å; D1794-R1814 IonicContact OD2-NH1 3.61Å; D1794-R1814 PolarHBondContact OD2-NH1 2.87Å; D1794-R1814 IonicContact OD2-NH2 2.78Å
1795Y92.9Very high91.1Very high45 Ų4582.5 Ų82.518%0.17640%0.401CS..  trans-70.8-17.8-177.1-77.37.9000112.6R1570 I1756 N1757 H1758 Y1793 F1797 L1817R1570-Y1795 PolarHBondContact NH2-OH 3.28Å; I1756-Y1795 PolarHBondContact O-OH 3.48Å; N1757-Y1795 WeakPolarHBondContact CA-OH 3.47Å; H1758-Y1795 HydrophobicContact CB-CD1 3.87Å; H1758-Y1795 HydrophobicContact CB-CD2 3.85Å; H1758-Y1795 HydrophobicContact CB-CE1 3.99Å; H1758-Y1795 HydrophobicContact CB-CE2 3.96Å; H1758-Y1795 HydrophobicContact CB-CG 3.82Å; H1758-Y1795 PolarHBondContact ND1-N 3.4Å; Y1793-Y1795 HydrophobicContact CD1-CE1 4.45Å; Y1793-Y1795 AromaticContact CD2-CD1 3.98Å; Y1793-Y1795 HydrophobicContact CD2-CD1 3.98Å; Y1793-Y1795 HydrophobicContact CD2-CE1 4.47Å; Y1793-Y1795 HydrophobicContact CE1-CD1 4.31Å; Y1793-Y1795 AromaticContact CE1-CE1 3.88Å; Y1793-Y1795 HydrophobicContact CE1-CE1 3.88Å; Y1793-Y1795 AromaticContact CE2-CD1 3.5Å; Y1793-Y1795 HydrophobicContact CE2-CD1 3.5Å; Y1793-Y1795 VanDerWaalsContact CE2-CD1 3.5Å; Y1793-Y1795 AromaticContact CE2-CE1 3.92Å; Y1793-Y1795 HydrophobicContact CE2-CE1 3.92Å; Y1793-Y1795 AromaticContact CZ-CD1 3.66Å; Y1793-Y1795 AromaticContact CZ-CE1 3.56Å; Y1795-F1797 AromaticContact CD2-CE1 3.95Å; Y1795-F1797 HydrophobicContact CD2-CE1 3.95Å; Y1795-F1797 HydrophobicContact CD2-CE2 4.33Å; Y1795-F1797 AromaticContact CD2-CZ 3.72Å; Y1795-F1797 HydrophobicContact CD2-CZ 3.72Å; Y1795-F1797 HydrophobicContact CG-CE1 4.29Å; Y1795-F1797 HydrophobicContact CG-CZ 4.48Å; Y1795-F1797 PolarHBondContact O-N 3.41Å; Y1795-L1817 HydrophobicContact CD2-CD2 4.35Å
1796K87.3Confident91Very high171 Ų17183.4 Ų83.474%0.74341%0.407SS*.  trans52.540.4175.3-64.2163.5159.8-72.60113D1794D1794-K1796 HydrophobicContact CB-CG 4.39Å; D1794-K1796 PolarHBondContact O-N 3.33Å; D1794-K1796 PolarHBondContact OD1-N 2.89Å; D1794-K1796 VanDerWaalsContact OD1-N 3.08Å
1797F86.3Confident90.7Very high87 Ų8784.5 Ų84.538%0.38241%0.409SS..PPolyproline II helixtrans-60.5143.9172.9-70.2-5.5000110Y1795 I1804 L1817 N1818Y1795-F1797 AromaticContact CD2-CE1 3.95Å; Y1795-F1797 HydrophobicContact CD2-CE1 3.95Å; Y1795-F1797 HydrophobicContact CD2-CE2 4.33Å; Y1795-F1797 AromaticContact CD2-CZ 3.72Å; Y1795-F1797 HydrophobicContact CD2-CZ 3.72Å; Y1795-F1797 HydrophobicContact CG-CE1 4.29Å; Y1795-F1797 HydrophobicContact CG-CZ 4.48Å; Y1795-F1797 PolarHBondContact O-N 3.41Å; F1797-I1804 HydrophobicContact CD2-CD1 4.48Å; F1797-I1804 HydrophobicContact CE2-CD1 4.49Å; F1797-L1817 HydrophobicContact CD2-CB 4.03Å; F1797-L1817 HydrophobicContact CD2-CD2 4.37Å; F1797-L1817 HydrophobicContact CE2-CB 4.45Å; F1797-L1817 HydrophobicContact CE2-CD2 3.96Å; F1797-N1818 HydrophobicContact CB-CB 4.02Å
1798P84.4Confident90.7Very high85 Ų8582.4 Ų82.455%0.55240%0.397SS*.PPolyproline II helixtrans-67155.1173.431.3-35.1000110.2E1800 N1818P1798-E1800 PolarHBondContact O-N 3.08Å; P1798-N1818 WeakPolarHBondContact O-CB 3.4Å
1799Y83.6Confident90.5Very high208 Ų20881.2 Ų81.282%0.81641%0.41SS*.PPolyproline II helixtrans-67.8126.5174.6-65-75000110.5N1818Y1799-N1818 WeakPolarHBondContact CD1-OXT 3.43Å
1800E86.4Confident90.3Very high100 Ų10080.3 Ų80.347%0.46741%0.409SS..  trans-129159.7178.1-66.2158.516900109.2P1798 N1818P1798-E1800 PolarHBondContact O-N 3.08Å; E1800-N1818 PolarHBondContact OE2-ND2 3.2Å
1801E83.8Confident90Very high188 Ų18884.9 Ų84.988%0.87944%0.443SS*.SBendtrans-69.5-38177.7-61.1-173.7-176.400111.4K1803E1801-K1803 PolarHBondContact O-N 3.3Å
1802D87.2Confident89.6Confident141 Ų14188.4 Ų88.475%0.75447%0.468SS*.SBendtrans-77.686.6177.1-75.6-39.4000111.9I1804 N1818D1802-I1804 PolarHBondContact O-N 3.31Å; D1802-N1818 PolarHBondContact O-ND2 3.48Å
1803K88.5Confident89.4Confident154 Ų15490 Ų9067%0.6748%0.479SS*.PPolyproline II helixtrans-68.6116.4-175.7-74.2174.1-177.2177.90113.6E1801 T1816E1801-K1803 PolarHBondContact O-N 3.3Å; K1803-T1816 HydrophobicContact CB-CG2 3.78Å; K1803-T1816 HydrophobicContact CD-CG2 4.17Å; K1803-T1816 HydrophobicContact CG-CG2 4.03Å
1804I87.7Confident89.2Confident71 Ų7193.9 Ų93.936%0.36449%0.494SS..PPolyproline II helixtrans-85.8118.2176.1-58.2169.9000109.3F1797 D1802 T1816 L1817 N1818F1797-I1804 HydrophobicContact CD2-CD1 4.48Å; F1797-I1804 HydrophobicContact CE2-CD1 4.49Å; D1802-I1804 PolarHBondContact O-N 3.31Å; I1804-T1816 CarbonylContact O-C 3.6Å; I1804-T1816 WeakPolarHBondContact O-CA 3.49Å; I1804-L1817 HydrophobicContact CB-CB 4.25Å; I1804-L1817 HydrophobicContact CG2-CB 4.25Å; I1804-L1817 HydrophobicContact CG2-CD1 4.48Å; I1804-L1817 HydrophobicContact CG2-CD2 4.25Å; I1804-L1817 PolarHBondContact O-N 3.09Å; I1804-N1818 PolarHBondContact N-OD1 3.4Å
1805P91.2Very high88.9Confident90 Ų9094.3 Ų94.358%0.58451%0.506SS*.BIsolated β-bridgetrans-71.6133.9-173.527.8-35000113.3
1806C93.1Very high88.9Confident22 Ų2293.8 Ų93.815%0.14951%0.508CS..PPolyproline II helixtrans-87.7128.3-177.1-169.40000113.5C1808 G1815 L1817C1806-C1808 PolarHBondContact SG-SG 3.47Å; C1806-G1815 WeakPolarHBondContact CB-O 3.45Å; C1806-G1815 PolarHBondContact N-O 3.49Å; C1806-L1817 VanDerWaalsContact CA-CD1 3.47Å; C1806-L1817 HydrophobicContact CB-CD1 3.68Å
1807Q89.8Confident88.9Confident119 Ų11986.9 Ų86.956%0.55648%0.479SS*.  trans-109.411.1-177.2-59.8-178.86.500113.5G1809Q1807-G1809 PolarHBondContact O-N 2.84Å; Q1807-G1809 VanDerWaalsContact O-N 3.16Å
1808C93Very high89Confident15 Ų1583.1 Ų83.110%0.10146%0.463CS..  trans-67.6-15.2-173.172.70000115.8I1688 H1758 C1806 S1810 C1813I1688-C1808 HydrophobicContact CG2-CB 4.41Å; H1758-C1808 WeakPolarHBondContact O-CB 3.13Å; C1806-C1808 PolarHBondContact SG-SG 3.47Å; C1808-S1810 PolarHBondContact O-N 3.02Å; C1808-S1810 VanDerWaalsContact O-N 3.11Å; C1808-S1810 PolarHBondContact SG-OG 3.2Å; C1808-C1813 VanDerWaalsContact SG-SG 3.7Å
1809G87.7Confident89.2Confident76 Ų7683.1 Ų83.178%0.78446%0.458SS*.  trans66.88.2177.400000116.1Q1807Q1807-G1809 PolarHBondContact O-N 2.84Å; Q1807-G1809 VanDerWaalsContact O-N 3.16Å
1810S90.1Very high89.5Confident22 Ų2276.5 Ų76.515%0.15444%0.44CS..  trans-67.7148.1176.663.70000112.3C1808 S1812 C1813C1808-S1810 PolarHBondContact O-N 3.02Å; C1808-S1810 VanDerWaalsContact O-N 3.11Å; C1808-S1810 PolarHBondContact SG-OG 3.2Å; S1810-S1812 PolarHBondContact O-N 3.04Å; S1810-C1813 VanDerWaalsContact O-CB 3.3Å; S1810-C1813 WeakPolarHBondContact O-CB 3.31Å; S1810-C1813 PolarHBondContact O-N 3.02Å; S1810-C1813 WeakPolarHBondContact OG-CA 3.47Å; S1810-C1813 PolarHBondContact OG-N 3.02Å
1811S90.5Very high89.7Confident120 Ų12075.2 Ų75.284%0.83944%0.438SS*.THydrogen-bonded Turntrans-66.1-25.3-179.6460000113.7
1812S90Very high90Very high74 Ų7468.5 Ų68.552%0.51741%0.412SS..THydrogen-bonded Turntrans-109.739.9174.665.10000111.4S1810S1810-S1812 PolarHBondContact O-N 3.04Å
1813C93.4Very high90.2Very high45 Ų4564 Ų6430%0.30439%0.391SS..  trans-63.7136.3177.5-174.70000110.9C1808 S1810 G1815C1808-C1813 VanDerWaalsContact SG-SG 3.7Å; S1810-C1813 VanDerWaalsContact O-CB 3.3Å; S1810-C1813 WeakPolarHBondContact O-CB 3.31Å; S1810-C1813 PolarHBondContact O-N 3.02Å; S1810-C1813 WeakPolarHBondContact OG-CA 3.47Å; S1810-C1813 PolarHBondContact OG-N 3.02Å; C1813-G1815 PolarHBondContact O-N 3.48Å; C1813-G1815 PolarHBondContact SG-N 3.25Å; C1813-G1815 VanDerWaalsContact SG-N 3.41Å
1814R91.2Very high90.3Very high104 Ų10458 Ų5839%0.39237%0.372SS..  trans-65.5-16.3174.3-64.2-168.9-68.8-118.87.1113.4H1758 C1760 D1794 T1816 L1817H1758-R1814 PolarHBondContact CE1-NH2 3.25Å; C1760-R1814 HydrophobicContact CB-CG 4.34Å; C1760-R1814 PolarHBondContact SG-N 3.26Å; C1760-R1814 VanDerWaalsContact SG-N 3.43Å; D1794-R1814 IonicContact OD1-CZ 3.58Å; D1794-R1814 IonicContact OD1-NH1 3.79Å; D1794-R1814 PolarHBondContact OD1-NH1 2.98Å; D1794-R1814 IonicContact OD1-NH2 2.72Å; D1794-R1814 PolarHBondContact OD1-NH2 3.43Å; D1794-R1814 IonicContact OD2-CZ 2.7Å; D1794-R1814 IonicContact OD2-NH1 3.61Å; D1794-R1814 PolarHBondContact OD2-NH1 2.87Å; D1794-R1814 IonicContact OD2-NH2 2.78Å; R1814-T1816 PolarHBondContact O-N 3.25Å; R1814-L1817 PolarHBondContact NH2-O 3.12Å
1815G89.6Confident90.5Very high43 Ų4357.1 Ų57.144%0.44337%0.373SS..SBendtrans83.5-32.6-169.600000113C1806 C1813C1806-G1815 WeakPolarHBondContact CB-O 3.45Å; C1806-G1815 PolarHBondContact N-O 3.49Å; C1813-G1815 PolarHBondContact O-N 3.48Å; C1813-G1815 PolarHBondContact SG-N 3.25Å; C1813-G1815 VanDerWaalsContact SG-N 3.41Å
1816T91.5Very high90.4Very high34 Ų3454.5 Ų54.521%0.20936%0.356CS..BIsolated β-bridgetrans-123.6159.4178.655.80000112.5K1803 I1804 R1814 N1818K1803-T1816 HydrophobicContact CB-CG2 3.78Å; K1803-T1816 HydrophobicContact CD-CG2 4.17Å; K1803-T1816 HydrophobicContact CG-CG2 4.03Å; I1804-T1816 CarbonylContact O-C 3.6Å; I1804-T1816 WeakPolarHBondContact O-CA 3.49Å; R1814-T1816 PolarHBondContact O-N 3.25Å; T1816-N1818 WeakPolarHBondContact CB-O 3.33Å; T1816-N1818 PolarHBondContact OG1-O 2.95Å
1817L87.9Confident90.2Very high27 Ų2757.3 Ų57.314%0.14137%0.374CS..  trans-79.3-49.6172.9-96.668.6000110.9Y1795 F1797 I1804 C1806 R1814Y1795-L1817 HydrophobicContact CD2-CD2 4.35Å; F1797-L1817 HydrophobicContact CD2-CB 4.03Å; F1797-L1817 HydrophobicContact CD2-CD2 4.37Å; F1797-L1817 HydrophobicContact CE2-CB 4.45Å; F1797-L1817 HydrophobicContact CE2-CD2 3.96Å; I1804-L1817 HydrophobicContact CB-CB 4.25Å; I1804-L1817 HydrophobicContact CG2-CB 4.25Å; I1804-L1817 HydrophobicContact CG2-CD1 4.48Å; I1804-L1817 HydrophobicContact CG2-CD2 4.25Å; I1804-L1817 PolarHBondContact O-N 3.09Å; C1806-L1817 VanDerWaalsContact CA-CD1 3.47Å; C1806-L1817 HydrophobicContact CB-CD1 3.68Å; R1814-L1817 PolarHBondContact NH2-O 3.12Å
1818N87.6Confident90.2Very high8 Ų851.6 Ų51.64%0.04336%0.357CS..  trans-87.7017051.1-2.7000111.7F1797 P1798 Y1799 E1800 D1802 I1804 T1816F1797-N1818 HydrophobicContact CB-CB 4.02Å; P1798-N1818 WeakPolarHBondContact O-CB 3.4Å; Y1799-N1818 WeakPolarHBondContact CD1-OXT 3.43Å; E1800-N1818 PolarHBondContact OE2-ND2 3.2Å; D1802-N1818 PolarHBondContact O-ND2 3.48Å; I1804-N1818 PolarHBondContact N-OD1 3.4Å; T1816-N1818 WeakPolarHBondContact CB-O 3.33Å; T1816-N1818 PolarHBondContact OG1-O 2.95Å

Retrieved 1,818 of 1,818 residues in 1737.8 ms (Link to these results)

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