A0A5K4FAF4_SCHMA Loading...

Rap guanine nucleotide exchange factor 2

AlphaFold DB , UniProt , Accession A0A5K4FAF4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 2,390 aa.

>A0A5K4FAF4_SCHMA|A0A5K4FAF4
MDDEDSTFIRMLAIVPAHRSPQENALIFGYLRTIEGLNLSGPSSTYRDNELRAISRYARYRRVPGDMLLYHAGEWCDSWFILISGSVLIESSMFLPRSYFGTRTNGNFYRRNDCLVLEPSDLVIDYLDNYSLPISFTDTHRLAVAPYKHRYSLDRTPVSFNNNDNDTSREILSNDRYSESSHSISSSLKISSLLNPDQSKDHRQAIRSTQKADAINSLKSLYLSDTSSTHSFSSGGVQNDSSHGRSSHSFVLKSPEKLNKKIGYNYPKWYKTGSDNSHCMDSEGDDDDDDEEEEEEEVEDEELESSSHESIRDAFWESILKLPSDRTQEDVDLLLENVEQLPAFSNLTKATCRSLCSVMVLAIIREAGQIVLNDNEVLDTWSVVLNGTVEVIEPDDTIRELTRGDAFGVRLGKTDCIHHGVMRTVTEDCHFLCVPQTDYVKIMSREGEAEIPEMGEGGRVVLVYESINLDTTLNIDSNKSPNDNNSVLLKKCRLVTKGTPEKLIEHLIADLSNGDITYPEDFLLTYRTFLDSPRPIVDRLLSWHLHNPKLRSRVNRIILLWVHNHFNDFEDNHEMMKCIEKFDNMLSSDGTAGERRLFRLACSTKARPRQVELIIPLKSSCHLHPDNKSFGVDDGTGFLSSNGQHLNNNYDTINSLIDLPFTMIGGEDGFGVFIHQVYTLVSNNNSETSYDEHTNQKYLTNPSSLSLSSPCDSSYPPSSATRVLPNFSFVHDQIRRADQLLAVNGRSVEHLKPSDVIQLIHSMINACCPMNIKTRSNTKLVSGASGSLSPSTAHYSTGIDNETMMGHSKSSTLSSVISVTFNLRLLVIFNPVQYYQAIDSLNTTHTAQTSMTPINKTTNVYQIVDDLKTHVKKSTPSSNITLNNHDGNNEICRPKMHSLPTSISIPDDLVKKSNDPHQQSPSTVLLPKMPTPCSFSTASTLSTYPGNNSIGRCRKFQPSHVTSGRPSHSANTSPTRLSHSHEDSQVFYKTSMTVRNKQSFISQSRWSYSLKDHTTTDNQSNNSNDSRRPYELHPSNDTFSSSAKTANHNYFPPTPPLQRSSSQPDLIMLDKSLISGSNVAATISDYTAVLHQHQDNLTDTFDYSGLNSGNNNITHTDHLSVIRVWRSSDNGKDHSSKLIILPSRQTNAYEATRLCMEEFSIPLKDQHSYCLYHVTVESGPIVKQSRLSNVLDDLSGRLTLNSRYYLKSLHNHDPLIADDVAKSILAESRVTFTQLPPNELAARLTIDDYEIFRSVQSTEYIDEIFGLSNAYVNNISSSVIGNNGNSSNTGYATGHENLDRFTDLVNREAYWAPTEICNETNLNRRVDLLKRFIKLAKLCRELLNFNTMFCLLVGLHQTPVERLKQTWDRLPNKYQKIYRDLSMVLDTSRNFHHYRTLLSANNVSAPMLPYLPLVLKDLTFIHLGNPSCTPDGLVNFVKLRMLAKEVRSICRMCNVDYDLCTTAYHGRVAGGVGRARAGANLSALKAVASVSSINPKSYFSNLTTINNFSQTNHNNNNNASTDSNWSEHNMVERKFSYSNSLDYSEQQQRESTLNFDANHINPTNVSSGFNVGHKRLHQHGNPTTLSSESFNVELPTANSLIVPGGGIRRRSNLGLISSSINPKKIYESWLMTLRIRTYFANLRVVQDPELLSQLSSRIEPSGKDSKAVQPFVVSSVGITDTTTTTTTTNNNNNNNNNNNDNNNNNNPTNEGNGPQLNTSNLPPSNNNTKLKGIKLSPTKTSAQSVVVESNTKKKSPLKVINISTESSSVPPATVAASITSNPTDMFTRPLLGAQSVEDARKLLALSVGSKRSSQRRLPVFTFPNHFDYNNTHNVAQSLFITSPVRPYAGIGFGHLKSQHYNNSNVSSSIGSSYQVNNNTIMQMSNNSTSKPSSTTNATISTCSNHLHHHHYSHAQIIYPQPTRCYSTPIGTSGSKSLLLHNLIPIPSRLATNMKDSGNSNSTSNQMYAMLPNQRDPSHLHQQQHSLIHHQQTSASPPDNRGQSTMKHQYFSQATNQNTNHQYQQQPNPQSLSNFIGSRLTLNPNTAAVLHPSCRGISLQQQMTCPYRSTHLSGEGAYPPYQQQATVQSGHFREQSPSQQHQHSVSFNFDENYLYPTVNTLPLGGSMLSIPRNYRQSVIQRIIPQYLNCKPTRPPPYEIALALKYPQNVNSQRALKNDTINKRHENDNNSNNNNNYHTASNLSSGIKLGTVHTQVQNPKSDKQLFTVKQLSDKNSQNPINYASYTTTTATIVSSCSEFSNNNNNNNNNSDNNNSLQYERNKSSTVCQSFQQRMQERPSPPSYQQVLSMSRRGNNQGSLKIISAQSHPPSNIYSSHGRPQPPQRTMATLSSNCSHNNYRASSCSPGMTIVRPVVNDLNSVEPHHKHIGRLVD
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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
1M35.5Very low61.2Low123 Ų12365.3 Ų65.361%0.60633%0.325SS*.  0114.50-82.3-162.4156.800105.7D5 I9 S84 D121M1-D5 WeakPolarHBondContact CA-OD2 3.1Å; M1-D5 HydrophobicContact CB-CB 4.15Å; M1-D5 HydrophobicContact CG-CB 4.19Å; M1-D5 HydrophobicContact SD-CB 4.37Å; M1-I9 HydrophobicContact CE-CD1 3.74Å; M1-I9 HydrophobicContact SD-CD1 3.96Å; M1-S84 WeakPolarHBondContact CE-OG 3.48Å; M1-D121 WeakPolarHBondContact CE-OD2 3.38Å
2D35.7Very low62.8Low112 Ų11260.1 Ų60.160%0.59930%0.3SS*.  trans-82.5165-177.1-52-59.7000108.5E4 D5 S6D2-E4 PolarHBondContact O-N 3.11Å; D2-D5 PolarHBondContact N-OD2 3.21Å; D2-D5 PolarHBondContact O-N 3.24Å; D2-S6 PolarHBondContact O-N 3.11Å
3D42.1Very low64.1Low128 Ų12860.5 Ų60.568%0.68432%0.319SS*.Hα-helixtrans-57-28-174-88.4-47.9000112.6S6 T7D3-S6 PolarHBondContact O-N 3.01Å; D3-S6 PolarHBondContact O-OG 3.37Å; D3-T7 WeakPolarHBondContact O-CB 3.12Å; D3-T7 PolarHBondContact O-N 2.61Å; D3-T7 PolarHBondContact O-OG1 2.88Å
4E48.9Very low65.3Low70 Ų7060 Ų6033%0.32732%0.315SS..Hα-helixtrans-55.7-54.8169.7-66.5174.4-120.300113.5D2 S6 T7 F8 F1820D2-E4 PolarHBondContact O-N 3.11Å; E4-S6 VanDerWaalsContact C-N 3.27Å; E4-S6 PolarHBondContact O-N 2.74Å; E4-T7 CarbonylContact O-C 3.54Å; E4-T7 WeakPolarHBondContact O-CB 3.41Å; E4-T7 PolarHBondContact O-N 2.92Å; E4-F8 WeakPolarHBondContact O-CB 3.31Å; E4-F8 PolarHBondContact O-N 2.96Å; E4-F1820 HydrophobicContact CG-CB 4.48Å; E4-F1820 HydrophobicContact CG-CD2 3.51Å; E4-F1820 HydrophobicContact CG-CE2 3.74Å; E4-F1820 HydrophobicContact CG-CG 3.99Å; E4-F1820 HydrophobicContact CG-CZ 4.4Å; E4-F1820 WeakPolarHBondContact OE1-CD1 3.25Å; E4-F1820 WeakPolarHBondContact OE1-CE1 3.36Å; E4-F1820 WeakPolarHBondContact OE2-CB 3.24Å; E4-F1820 VanDerWaalsContact OE2-CG 3.27Å; E4-F1820 WeakPolarHBondContact OE2-CG 3.22Å
5D57.5Low66.2Low28 Ų2861.9 Ų61.915%0.1533%0.33CS..Hα-helixtrans-58.9-43.8179.6-71.7-30.9000109.8M1 D2 T7 F8 I9 Y30M1-D5 WeakPolarHBondContact CA-OD2 3.1Å; M1-D5 HydrophobicContact CB-CB 4.15Å; M1-D5 HydrophobicContact CG-CB 4.19Å; M1-D5 HydrophobicContact SD-CB 4.37Å; D2-D5 PolarHBondContact N-OD2 3.21Å; D2-D5 PolarHBondContact O-N 3.24Å; D5-T7 PolarHBondContact O-N 2.95Å; D5-F8 PolarHBondContact O-N 2.92Å; D5-I9 VanDerWaalsContact O-CB 3.27Å; D5-I9 WeakPolarHBondContact O-CB 3.34Å; D5-I9 VanDerWaalsContact O-CG1 3.24Å; D5-I9 WeakPolarHBondContact O-CG1 3.3Å; D5-I9 PolarHBondContact O-N 3.38Å; D5-Y30 PolarHBondContact OD1-OH 3.23Å
6S64.1Low67.2Low16 Ų1659.6 Ų59.611%0.11232%0.319CS..Hα-helixtrans-60.6-36.617897.20000111.5D2 D3 E4 R10D2-S6 PolarHBondContact O-N 3.11Å; D3-S6 PolarHBondContact O-N 3.01Å; D3-S6 PolarHBondContact O-OG 3.37Å; E4-S6 VanDerWaalsContact C-N 3.27Å; E4-S6 PolarHBondContact O-N 2.74Å; S6-R10 WeakPolarHBondContact O-CB 3.35Å; S6-R10 WeakPolarHBondContact O-CD 3.44Å; S6-R10 WeakPolarHBondContact O-CG 3.42Å; S6-R10 PolarHBondContact O-N 2.68Å
7T70.2Confident67.7Low60 Ų6061.2 Ų61.237%0.36834%0.343SS..Hα-helixtrans-77.2-41.7-179.8-57.90000111.5D3 E4 D5 R10 M11D3-T7 WeakPolarHBondContact O-CB 3.12Å; D3-T7 PolarHBondContact O-N 2.61Å; D3-T7 PolarHBondContact O-OG1 2.88Å; E4-T7 CarbonylContact O-C 3.54Å; E4-T7 WeakPolarHBondContact O-CB 3.41Å; E4-T7 PolarHBondContact O-N 2.92Å; D5-T7 PolarHBondContact O-N 2.95Å; T7-R10 PolarHBondContact O-N 3.42Å; T7-M11 HydrophobicContact CG2-CE 4.27Å; T7-M11 WeakPolarHBondContact O-CG 3.41Å; T7-M11 PolarHBondContact O-N 3.21Å
8F79.6Confident68.5Low4 Ų466 Ų662%0.01836%0.362CS..Hα-helixtrans-61.1-47.1174176.3-112.6000111.7E4 D5 R10 M11 L12 I27 Y30 L31 I83 V123E4-F8 WeakPolarHBondContact O-CB 3.31Å; E4-F8 PolarHBondContact O-N 2.96Å; D5-F8 PolarHBondContact O-N 2.92Å; F8-R10 PolarHBondContact O-N 3.33Å; F8-M11 PolarHBondContact O-N 2.98Å; F8-L12 HydrophobicContact CD1-CD1 4.06Å; F8-L12 HydrophobicContact CD2-CD1 4.46Å; F8-L12 HydrophobicContact CE1-CD1 3.5Å; F8-L12 VanDerWaalsContact CE1-CD1 3.5Å; F8-L12 HydrophobicContact CE2-CD1 3.96Å; F8-L12 HydrophobicContact CE2-CG 4.27Å; F8-L12 HydrophobicContact CZ-CD1 3.45Å; F8-L12 VanDerWaalsContact CZ-CD1 3.45Å; F8-L12 HydrophobicContact CZ-CG 4.25Å; F8-L12 PolarHBondContact O-N 2.86Å; F8-I27 HydrophobicContact CD2-CG1 4.46Å; F8-I27 HydrophobicContact CE2-CB 4.37Å; F8-I27 HydrophobicContact CE2-CG1 4.37Å; F8-I27 HydrophobicContact CE2-CG2 4.12Å; F8-Y30 HydrophobicContact CB-CD2 4.25Å; F8-Y30 HydrophobicContact CB-CE2 4.36Å; F8-Y30 AromaticContact CD1-CD1 3.81Å; F8-Y30 HydrophobicContact CD1-CD1 3.81Å; F8-Y30 HydrophobicContact CD1-CD2 4.42Å; F8-Y30 AromaticContact CD1-CE1 3.64Å; F8-Y30 HydrophobicContact CD1-CE1 3.64Å; F8-Y30 HydrophobicContact CD1-CE2 4.25Å; F8-Y30 HydrophobicContact CD1-CG 4.2Å; F8-Y30 AromaticContact CD1-CZ 3.86Å; F8-Y30 AromaticContact CD2-CD1 3.81Å; F8-Y30 HydrophobicContact CD2-CD1 3.81Å; F8-Y30 HydrophobicContact CD2-CD2 4.18Å; F8-Y30 HydrophobicContact CD2-CE1 4.48Å; F8-Y30 AromaticContact CD2-CG 3.63Å; F8-Y30 HydrophobicContact CD2-CG 3.63Å; F8-Y30 AromaticContact CE1-CD1 3.49Å; F8-Y30 HydrophobicContact CE1-CD1 3.49Å; F8-Y30 VanDerWaalsContact CE1-CD1 3.49Å; F8-Y30 AromaticContact CE1-CE1 3.4Å; F8-Y30 HydrophobicContact CE1-CE1 3.4Å; F8-Y30 HydrophobicContact CE1-CG 4.27Å; F8-Y30 AromaticContact CE2-CD1 3.49Å; F8-Y30 HydrophobicContact CE2-CD1 3.49Å; F8-Y30 VanDerWaalsContact CE2-CD1 3.49Å; F8-Y30 HydrophobicContact CE2-CE1 4.28Å; F8-Y30 AromaticContact CE2-CG 3.71Å; F8-Y30 HydrophobicContact CE2-CG 3.71Å; F8-Y30 AromaticContact CG-CD1 3.96Å; F8-Y30 HydrophobicContact CG-CD1 3.96Å; F8-Y30 HydrophobicContact CG-CD2 4.05Å; F8-Y30 HydrophobicContact CG-CE1 4.18Å; F8-Y30 HydrophobicContact CG-CE2 4.25Å; F8-Y30 AromaticContact CG-CG 3.89Å; F8-Y30 HydrophobicContact CG-CG 3.89Å; F8-Y30 AromaticContact CZ-CD1 3.31Å; F8-Y30 HydrophobicContact CZ-CD1 3.31Å; F8-Y30 AromaticContact CZ-CE1 3.74Å; F8-Y30 HydrophobicContact CZ-CE1 3.74Å; F8-Y30 HydrophobicContact CZ-CG 4.03Å; F8-L31 HydrophobicContact CZ-CD2 4.18Å; F8-L31 HydrophobicContact CZ-CG 4.41Å; F8-I83 HydrophobicContact CD1-CD1 4.31Å; F8-I83 HydrophobicContact CE1-CD1 3.83Å; F8-I83 HydrophobicContact CE1-CG1 4.21Å; F8-V123 HydrophobicContact CE1-CG2 4.45Å; F8-V123 HydrophobicContact CZ-CG2 4.44Å
9I79.4Confident69.3Low22 Ų2263.5 Ų63.511%0.11335%0.346CS..Hα-helixtrans-61.3-43.7174.7-72.3168.8000111M1 D5 M11 L12 A13 Y60 I83M1-I9 HydrophobicContact CE-CD1 3.74Å; M1-I9 HydrophobicContact SD-CD1 3.96Å; D5-I9 VanDerWaalsContact O-CB 3.27Å; D5-I9 WeakPolarHBondContact O-CB 3.34Å; D5-I9 VanDerWaalsContact O-CG1 3.24Å; D5-I9 WeakPolarHBondContact O-CG1 3.3Å; D5-I9 PolarHBondContact O-N 3.38Å; I9-M11 VanDerWaalsContact C-N 3.34Å; I9-M11 PolarHBondContact O-N 3.16Å; I9-L12 PolarHBondContact O-N 2.89Å; I9-A13 WeakPolarHBondContact O-CB 3.28Å; I9-A13 PolarHBondContact O-N 3.36Å; I9-Y60 HydrophobicContact CB-CD2 4.48Å; I9-Y60 HydrophobicContact CB-CE2 4.29Å; I9-Y60 HydrophobicContact CD1-CE2 4.03Å; I9-Y60 HydrophobicContact CG1-CD2 4.08Å; I9-Y60 HydrophobicContact CG1-CE2 3.81Å; I9-Y60 HydrophobicContact CG2-CD1 4.04Å; I9-Y60 HydrophobicContact CG2-CD2 3.98Å; I9-Y60 HydrophobicContact CG2-CE1 3.68Å; I9-Y60 HydrophobicContact CG2-CE2 3.6Å; I9-Y60 HydrophobicContact CG2-CG 4.16Å; I9-Y60 VanDerWaalsContact CG2-CZ 3.4Å; I9-I83 HydrophobicContact CG1-CD1 4.37Å
10R78.6Confident70.1Confident139 Ų13962.1 Ų62.153%0.52534%0.342SS..Hα-helixtrans-58.9-41.9174.4-75.9166.7-162-174.812112.2S6 T7 F8 A13 I14S6-R10 WeakPolarHBondContact O-CB 3.35Å; S6-R10 WeakPolarHBondContact O-CD 3.44Å; S6-R10 WeakPolarHBondContact O-CG 3.42Å; S6-R10 PolarHBondContact O-N 2.68Å; T7-R10 PolarHBondContact O-N 3.42Å; F8-R10 PolarHBondContact O-N 3.33Å; R10-A13 PolarHBondContact O-N 3Å; R10-I14 PolarHBondContact O-N 3.16Å
11M81.2Confident70.6Confident16 Ų1664 Ų648%0.07936%0.357CS..Hα-helixtrans-69-39.1176.6-70.8-175.7-68.200113.2T7 F8 I9 A13 I14 R19 E23 L26 I27T7-M11 HydrophobicContact CG2-CE 4.27Å; T7-M11 WeakPolarHBondContact O-CG 3.41Å; T7-M11 PolarHBondContact O-N 3.21Å; F8-M11 PolarHBondContact O-N 2.98Å; I9-M11 VanDerWaalsContact C-N 3.34Å; I9-M11 PolarHBondContact O-N 3.16Å; M11-A13 VanDerWaalsContact C-N 3.28Å; M11-A13 PolarHBondContact O-N 3.46Å; M11-I14 WeakPolarHBondContact O-CB 3.46Å; M11-I14 PolarHBondContact O-N 3.49Å; M11-R19 PolarHBondContact O-NE 3.47Å; M11-E23 HydrophobicContact CG-CB 4.32Å; M11-E23 HydrophobicContact CG-CG 4.18Å; M11-E23 HydrophobicContact SD-CB 3.98Å; M11-E23 HydrophobicContact SD-CG 4.03Å; M11-L26 HydrophobicContact CE-CB 3.55Å; M11-L26 HydrophobicContact CE-CD1 3.76Å; M11-L26 HydrophobicContact CE-CG 4.2Å; M11-L26 HydrophobicContact SD-CB 3.71Å; M11-L26 HydrophobicContact SD-CD1 3.63Å; M11-L26 HydrophobicContact SD-CG 3.93Å; M11-I27 HydrophobicContact CB-CD1 4.11Å; M11-I27 HydrophobicContact CB-CG1 4.18Å
12L80.6Confident72.6Confident3 Ų360.1 Ų60.12%0.01634%0.337CS..Hα-helixtrans-70.8-23.5175.2-75177.9000113.3F8 I9 I14 R19 I27 A58 Y60 I83 V123F8-L12 HydrophobicContact CD1-CD1 4.06Å; F8-L12 HydrophobicContact CD2-CD1 4.46Å; F8-L12 HydrophobicContact CE1-CD1 3.5Å; F8-L12 VanDerWaalsContact CE1-CD1 3.5Å; F8-L12 HydrophobicContact CE2-CD1 3.96Å; F8-L12 HydrophobicContact CE2-CG 4.27Å; F8-L12 HydrophobicContact CZ-CD1 3.45Å; F8-L12 VanDerWaalsContact CZ-CD1 3.45Å; F8-L12 HydrophobicContact CZ-CG 4.25Å; F8-L12 PolarHBondContact O-N 2.86Å; I9-L12 PolarHBondContact O-N 2.89Å; L12-I14 VanDerWaalsContact C-N 3.3Å; L12-R19 PolarHBondContact O-NH2 3.32Å; L12-I27 HydrophobicContact CD2-CD1 3.98Å; L12-I27 HydrophobicContact CD2-CG1 4.19Å; L12-I27 HydrophobicContact CD2-CG2 3.89Å; L12-I27 HydrophobicContact CG-CG1 4.45Å; L12-A58 HydrophobicContact CD2-CB 4.15Å; L12-Y60 PolarHBondContact O-N 2.97Å; L12-I83 HydrophobicContact CD1-CD1 4.33Å; L12-V123 HydrophobicContact CD1-CG1 4.2Å; L12-V123 HydrophobicContact CD1-CG2 3.82Å; L12-V123 HydrophobicContact CD2-CG1 4.38Å
13A79.4Confident74.8Confident66 Ų6656.9 Ų56.955%0.54532%0.319SS..Hα-helixtrans-73.3-19.1170.600000113.1I9 R10 M11 V15I9-A13 WeakPolarHBondContact O-CB 3.28Å; I9-A13 PolarHBondContact O-N 3.36Å; R10-A13 PolarHBondContact O-N 3Å; M11-A13 VanDerWaalsContact C-N 3.28Å; M11-A13 PolarHBondContact O-N 3.46Å; A13-V15 PolarHBondContact O-N 3.05Å
14I81.3Confident76.8Confident53 Ų5352.2 Ų52.227%0.27229%0.294SS..SBendtrans-67.9130.1168.8-57.2171.9000108.6R10 M11 L12 H18 R19 E23R10-I14 PolarHBondContact O-N 3.16Å; M11-I14 WeakPolarHBondContact O-CB 3.46Å; M11-I14 PolarHBondContact O-N 3.49Å; L12-I14 VanDerWaalsContact C-N 3.3Å; I14-H18 HydrophobicContact CG2-CB 4.15Å; I14-R19 HydrophobicContact CB-CG 4.06Å; I14-R19 HydrophobicContact CG2-CG 3.83Å; I14-R19 PolarHBondContact O-NE 3.01Å; I14-R19 PolarHBondContact O-NH2 3.17Å; I14-E23 WeakPolarHBondContact CD1-OE1 3.4Å
15V79.3Confident78.3Confident88 Ų8851.3 Ų51.353%0.53330%0.298SS..  trans-57.3130.9177179.80000110A13 A17 H18A13-V15 PolarHBondContact O-N 3.05Å; V15-A17 VanDerWaalsContact C-N 3.27Å; V15-A17 PolarHBondContact O-N 2.83Å; V15-H18 PolarHBondContact O-N 2.94Å
16P81.6Confident79.4Confident25 Ų2550.7 Ų50.716%0.16230%0.295CS..G310 helixtrans-39.7-46.6179.2-40.340.6000116.3H18 R19 R56 Y57 R59P16-H18 PolarHBondContact O-N 2.93Å; P16-R19 PolarHBondContact O-N 2.86Å; P16-R56 WeakPolarHBondContact CB-O 3.2Å; P16-Y57 VanDerWaalsContact CG-O 3.31Å; P16-Y57 WeakPolarHBondContact CG-O 3.2Å; P16-R59 HydrophobicContact CG-CG 4.06Å
17A76.1Confident80.3Confident87 Ų8749.9 Ų49.972%0.71929%0.289SS*.G310 helixtrans-68.2-2.2-179.400000115.3V15V15-A17 VanDerWaalsContact C-N 3.27Å; V15-A17 PolarHBondContact O-N 2.83Å
18H81.9Confident81Confident148 Ų14848.5 Ų48.569%0.68528%0.278SS*.G310 helixtrans-122.8-3.9-178.3-62.7-22.8000113.8I14 V15 P16I14-H18 HydrophobicContact CG2-CB 4.15Å; V15-H18 PolarHBondContact O-N 2.94Å; P16-H18 PolarHBondContact O-N 2.93Å
19R83.5Confident80.9Confident18 Ų1848.7 Ų48.77%0.06828%0.281CS..  trans-70.8134.7175.9-67.5-173.1-172.1136.618.1111.8M11 L12 I14 P16 N24 S55 A58M11-R19 PolarHBondContact O-NE 3.47Å; L12-R19 PolarHBondContact O-NH2 3.32Å; I14-R19 HydrophobicContact CB-CG 4.06Å; I14-R19 HydrophobicContact CG2-CG 3.83Å; I14-R19 PolarHBondContact O-NE 3.01Å; I14-R19 PolarHBondContact O-NH2 3.17Å; P16-R19 PolarHBondContact O-N 2.86Å; R19-N24 WeakPolarHBondContact CB-OD1 3.25Å; R19-N24 WeakPolarHBondContact CD-OD1 3.09Å; R19-S55 PolarHBondContact NH1-O 2.8Å; R19-S55 VanDerWaalsContact NH1-O 3.1Å; R19-A58 VanDerWaalsContact CZ-O 3.23Å; R19-A58 PolarHBondContact NH1-O 3.35Å; R19-A58 PolarHBondContact NH2-O 3.04Å
20S84.7Confident80.8Confident36 Ų3649 Ų4925%0.25228%0.281SS..  trans-69.7159.9169.470.50000111.9Q22 E23 N24S20-Q22 PolarHBondContact O-N 2.87Å; S20-Q22 VanDerWaalsContact O-N 3.11Å; S20-Q22 PolarHBondContact OG-N 3.47Å; S20-E23 WeakPolarHBondContact CA-OE2 3.18Å; S20-E23 WeakPolarHBondContact CB-OE2 3.38Å; S20-E23 PolarHBondContact N-OE2 2.67Å; S20-E23 PolarHBondContact O-N 3.11Å; S20-E23 VanDerWaalsContact OG-CD 3.32Å; S20-E23 PolarHBondContact OG-N 2.88Å; S20-E23 VanDerWaalsContact OG-N 3.13Å; S20-E23 PolarHBondContact OG-OE2 3.13Å; S20-N24 PolarHBondContact O-N 3.4Å; S20-N24 VanDerWaalsContact O-N 3.15Å; S20-N24 PolarHBondContact O-ND2 3.07Å; S20-N24 VanDerWaalsContact O-ND2 3.16Å
21P80.9Confident80.7Confident103 Ų10342.4 Ų42.467%0.66926%0.256SS*.THydrogen-bonded Turntrans-59.2-16.8169-24.635.2000114.2A25P21-A25 WeakPolarHBondContact O-CB 3.46Å; P21-A25 PolarHBondContact O-N 2.87Å
22Q77.8Confident80.4Confident40 Ų4046.1 Ų46.119%0.18727%0.269CS..THydrogen-bonded Turntrans-83.4-46.6179.1-69.272.723.400111.4S20 A25 L26 R1816 L1817S20-Q22 PolarHBondContact O-N 2.87Å; S20-Q22 VanDerWaalsContact O-N 3.11Å; S20-Q22 PolarHBondContact OG-N 3.47Å; Q22-A25 WeakPolarHBondContact O-CB 3.35Å; Q22-A25 PolarHBondContact O-N 2.91Å; Q22-A25 VanDerWaalsContact O-N 3.09Å; Q22-L26 PolarHBondContact O-N 2.95Å; Q22-L26 VanDerWaalsContact O-N 3.08Å; Q22-R1816 HydrophobicContact CG-CG 3.65Å; Q22-L1817 HydrophobicContact CB-CD1 3.89Å
23E82.5Confident79.8Confident45 Ų4546.9 Ų46.921%0.2127%0.274CS..Hα-helixtrans-64.6-41.2175.5-66.9147.913700111M11 I14 S20 A25 L26 I27M11-E23 HydrophobicContact CG-CB 4.32Å; M11-E23 HydrophobicContact CG-CG 4.18Å; M11-E23 HydrophobicContact SD-CB 3.98Å; M11-E23 HydrophobicContact SD-CG 4.03Å; I14-E23 WeakPolarHBondContact CD1-OE1 3.4Å; S20-E23 WeakPolarHBondContact CA-OE2 3.18Å; S20-E23 WeakPolarHBondContact CB-OE2 3.38Å; S20-E23 PolarHBondContact N-OE2 2.67Å; S20-E23 PolarHBondContact O-N 3.11Å; S20-E23 VanDerWaalsContact OG-CD 3.32Å; S20-E23 PolarHBondContact OG-N 2.88Å; S20-E23 VanDerWaalsContact OG-N 3.13Å; S20-E23 PolarHBondContact OG-OE2 3.13Å; E23-A25 PolarHBondContact O-N 3.03Å; E23-L26 PolarHBondContact O-N 3.4Å; E23-L26 VanDerWaalsContact O-N 3.09Å; E23-I27 WeakPolarHBondContact O-CG1 3.17Å; E23-I27 PolarHBondContact O-N 2.76Å
24N84Confident79.3Confident29 Ų2944 Ų4416%0.15525%0.25CC..Hα-helixtrans-61.3-27.1173.1-72.5-37.5000113.1R19 S20 F28 S55R19-N24 WeakPolarHBondContact CB-OD1 3.25Å; R19-N24 WeakPolarHBondContact CD-OD1 3.09Å; S20-N24 PolarHBondContact O-N 3.4Å; S20-N24 VanDerWaalsContact O-N 3.15Å; S20-N24 PolarHBondContact O-ND2 3.07Å; S20-N24 VanDerWaalsContact O-ND2 3.16Å; N24-F28 WeakPolarHBondContact O-CB 3.31Å; N24-F28 PolarHBondContact O-N 3.43Å; N24-S55 PolarHBondContact OD1-O 3.21Å
25A81.1Confident78.1Confident51 Ų5148.9 Ų48.942%0.42127%0.271SS..Hα-helixtrans-78.9-32.6174.100000112.3P21 Q22 E23 G29P21-A25 WeakPolarHBondContact O-CB 3.46Å; P21-A25 PolarHBondContact O-N 2.87Å; Q22-A25 WeakPolarHBondContact O-CB 3.35Å; Q22-A25 PolarHBondContact O-N 2.91Å; Q22-A25 VanDerWaalsContact O-N 3.09Å; E23-A25 PolarHBondContact O-N 3.03Å; A25-G29 PolarHBondContact O-N 2.84Å
26L79.9Confident77Confident15 Ų1546.1 Ų46.18%0.07926%0.261CS..Hα-helixtrans-68-44.7172.5-55.6-152.4000111.1M11 Q22 E23 F28 G29 Y30 L1817 V1819M11-L26 HydrophobicContact CE-CB 3.55Å; M11-L26 HydrophobicContact CE-CD1 3.76Å; M11-L26 HydrophobicContact CE-CG 4.2Å; M11-L26 HydrophobicContact SD-CB 3.71Å; M11-L26 HydrophobicContact SD-CD1 3.63Å; M11-L26 HydrophobicContact SD-CG 3.93Å; Q22-L26 PolarHBondContact O-N 2.95Å; Q22-L26 VanDerWaalsContact O-N 3.08Å; E23-L26 PolarHBondContact O-N 3.4Å; E23-L26 VanDerWaalsContact O-N 3.09Å; L26-F28 VanDerWaalsContact C-N 3.3Å; L26-F28 PolarHBondContact O-N 3.39Å; L26-G29 PolarHBondContact O-N 2.89Å; L26-G29 VanDerWaalsContact O-N 3.15Å; L26-Y30 PolarHBondContact O-N 3.31Å; L26-L1817 HydrophobicContact CD1-CB 4Å; L26-L1817 HydrophobicContact CD1-CD1 3.95Å; L26-L1817 HydrophobicContact CD1-CD2 4.03Å; L26-L1817 HydrophobicContact CD1-CG 4.21Å; L26-L1817 HydrophobicContact CD2-CB 4.25Å; L26-L1817 HydrophobicContact CD2-CD1 4.24Å; L26-L1817 HydrophobicContact CG-CD1 4.1Å; L26-V1819 HydrophobicContact CD2-CB 4.41Å; L26-V1819 HydrophobicContact CD2-CG2 3.31Å
27I83.7Confident76Confident0 Ų045.6 Ų45.60%026%0.257CS..Hα-helixtrans-59-44.1176.7-67.1161.9000110.3F8 M11 L12 E23 Y30 L31F8-I27 HydrophobicContact CD2-CG1 4.46Å; F8-I27 HydrophobicContact CE2-CB 4.37Å; F8-I27 HydrophobicContact CE2-CG1 4.37Å; F8-I27 HydrophobicContact CE2-CG2 4.12Å; M11-I27 HydrophobicContact CB-CD1 4.11Å; M11-I27 HydrophobicContact CB-CG1 4.18Å; L12-I27 HydrophobicContact CD2-CD1 3.98Å; L12-I27 HydrophobicContact CD2-CG1 4.19Å; L12-I27 HydrophobicContact CD2-CG2 3.89Å; L12-I27 HydrophobicContact CG-CG1 4.45Å; E23-I27 WeakPolarHBondContact O-CG1 3.17Å; E23-I27 PolarHBondContact O-N 2.76Å; I27-Y30 PolarHBondContact O-N 3.44Å; I27-L31 HydrophobicContact CG2-CD1 3.99Å; I27-L31 HydrophobicContact CG2-CG 4.45Å; I27-L31 WeakPolarHBondContact O-CB 3.4Å; I27-L31 WeakPolarHBondContact O-CG 3.42Å; I27-L31 PolarHBondContact O-N 3.29Å
28F83.9Confident74.9Confident30 Ų3044.8 Ų44.813%0.13224%0.24CC..Hα-helixtrans-62.5-42.3174.5170.3-107.1000112.7N24 L26 L31 R32 D48 L51 R52 S55N24-F28 WeakPolarHBondContact O-CB 3.31Å; N24-F28 PolarHBondContact O-N 3.43Å; L26-F28 VanDerWaalsContact C-N 3.3Å; L26-F28 PolarHBondContact O-N 3.39Å; F28-L31 PolarHBondContact O-N 3.27Å; F28-R32 VanDerWaalsContact O-CB 3.27Å; F28-R32 WeakPolarHBondContact O-CB 3.5Å; F28-R32 PolarHBondContact O-N 3.45Å; F28-D48 WeakPolarHBondContact CZ-OD1 3.36Å; F28-L51 HydrophobicContact CD2-CB 3.99Å; F28-L51 HydrophobicContact CE2-CB 3.9Å; F28-R52 HydrophobicContact CD1-CG 4.36Å; F28-R52 HydrophobicContact CD2-CB 4.44Å; F28-R52 HydrophobicContact CD2-CG 3.5Å; F28-R52 HydrophobicContact CE1-CG 4.44Å; F28-R52 HydrophobicContact CE2-CG 3.61Å; F28-R52 HydrophobicContact CG-CG 3.9Å; F28-R52 HydrophobicContact CZ-CG 4.09Å; F28-S55 VanDerWaalsContact CA-OG 3.27Å; F28-S55 WeakPolarHBondContact CA-OG 3.43Å; F28-S55 WeakPolarHBondContact CB-OG 3.36Å; F28-S55 PolarHBondContact N-OG 3.38Å
29G78.6Confident73.1Confident8 Ų843.5 Ų43.58%0.08224%0.237CC..Hα-helixtrans-58.6-50.5175.700000112.6A25 L26 R32 T33 T1821A25-G29 PolarHBondContact O-N 2.84Å; L26-G29 PolarHBondContact O-N 2.89Å; L26-G29 VanDerWaalsContact O-N 3.15Å; G29-R32 CarbonylContact O-C 3.54Å; G29-R32 WeakPolarHBondContact O-CB 3.21Å; G29-R32 PolarHBondContact O-N 2.97Å; G29-T33 PolarHBondContact O-N 2.85Å; G29-T1821 WeakPolarHBondContact O-CG2 3.18Å
30Y77.3Confident71Confident30 Ų3048.8 Ų48.812%0.11828%0.277CS..Hα-helixtrans-64.7-43.9178-173.3-77.7000112.2D5 F8 L26 I27 R32 T33D5-Y30 PolarHBondContact OD1-OH 3.23Å; F8-Y30 HydrophobicContact CB-CD2 4.25Å; F8-Y30 HydrophobicContact CB-CE2 4.36Å; F8-Y30 AromaticContact CD1-CD1 3.81Å; F8-Y30 HydrophobicContact CD1-CD1 3.81Å; F8-Y30 HydrophobicContact CD1-CD2 4.42Å; F8-Y30 AromaticContact CD1-CE1 3.64Å; F8-Y30 HydrophobicContact CD1-CE1 3.64Å; F8-Y30 HydrophobicContact CD1-CE2 4.25Å; F8-Y30 HydrophobicContact CD1-CG 4.2Å; F8-Y30 AromaticContact CD1-CZ 3.86Å; F8-Y30 AromaticContact CD2-CD1 3.81Å; F8-Y30 HydrophobicContact CD2-CD1 3.81Å; F8-Y30 HydrophobicContact CD2-CD2 4.18Å; F8-Y30 HydrophobicContact CD2-CE1 4.48Å; F8-Y30 AromaticContact CD2-CG 3.63Å; F8-Y30 HydrophobicContact CD2-CG 3.63Å; F8-Y30 AromaticContact CE1-CD1 3.49Å; F8-Y30 HydrophobicContact CE1-CD1 3.49Å; F8-Y30 VanDerWaalsContact CE1-CD1 3.49Å; F8-Y30 AromaticContact CE1-CE1 3.4Å; F8-Y30 HydrophobicContact CE1-CE1 3.4Å; F8-Y30 HydrophobicContact CE1-CG 4.27Å; F8-Y30 AromaticContact CE2-CD1 3.49Å; F8-Y30 HydrophobicContact CE2-CD1 3.49Å; F8-Y30 VanDerWaalsContact CE2-CD1 3.49Å; F8-Y30 HydrophobicContact CE2-CE1 4.28Å; F8-Y30 AromaticContact CE2-CG 3.71Å; F8-Y30 HydrophobicContact CE2-CG 3.71Å; F8-Y30 AromaticContact CG-CD1 3.96Å; F8-Y30 HydrophobicContact CG-CD1 3.96Å; F8-Y30 HydrophobicContact CG-CD2 4.05Å; F8-Y30 HydrophobicContact CG-CE1 4.18Å; F8-Y30 HydrophobicContact CG-CE2 4.25Å; F8-Y30 AromaticContact CG-CG 3.89Å; F8-Y30 HydrophobicContact CG-CG 3.89Å; F8-Y30 AromaticContact CZ-CD1 3.31Å; F8-Y30 HydrophobicContact CZ-CD1 3.31Å; F8-Y30 AromaticContact CZ-CE1 3.74Å; F8-Y30 HydrophobicContact CZ-CE1 3.74Å; F8-Y30 HydrophobicContact CZ-CG 4.03Å; L26-Y30 PolarHBondContact O-N 3.31Å; I27-Y30 PolarHBondContact O-N 3.44Å; Y30-R32 PolarHBondContact O-N 2.99Å; Y30-T33 PolarHBondContact O-N 2.93Å; Y30-T33 PolarHBondContact O-OG1 2.86Å
31L76.6Confident69.1Low0 Ų048.5 Ų48.50%028%0.28CS..Hα-helixtrans-62.1-29.4175.5-71.1176.5000112.1F8 I27 F28 T33 I34 L37 I54 I81F8-L31 HydrophobicContact CZ-CD2 4.18Å; F8-L31 HydrophobicContact CZ-CG 4.41Å; I27-L31 HydrophobicContact CG2-CD1 3.99Å; I27-L31 HydrophobicContact CG2-CG 4.45Å; I27-L31 WeakPolarHBondContact O-CB 3.4Å; I27-L31 WeakPolarHBondContact O-CG 3.42Å; I27-L31 PolarHBondContact O-N 3.29Å; F28-L31 PolarHBondContact O-N 3.27Å; L31-T33 VanDerWaalsContact C-N 3.27Å; L31-T33 PolarHBondContact O-N 2.83Å; L31-I34 HydrophobicContact CD2-CD1 4.08Å; L31-I34 WeakPolarHBondContact O-CB 3.34Å; L31-I34 PolarHBondContact O-N 2.77Å; L31-L37 HydrophobicContact CD2-CD1 4.49Å; L31-I54 HydrophobicContact CD1-CG2 4.14Å; L31-I81 HydrophobicContact CD2-CD1 3.91Å
32R74.8Confident67.1Low93 Ų9350.4 Ų50.435%0.35129%0.292SS..THydrogen-bonded Turntrans-77.2-1172.9-175.1171.5162.1137.4-4113.6F28 G29 Y30 N38 D48F28-R32 VanDerWaalsContact O-CB 3.27Å; F28-R32 WeakPolarHBondContact O-CB 3.5Å; F28-R32 PolarHBondContact O-N 3.45Å; G29-R32 CarbonylContact O-C 3.54Å; G29-R32 WeakPolarHBondContact O-CB 3.21Å; G29-R32 PolarHBondContact O-N 2.97Å; Y30-R32 PolarHBondContact O-N 2.99Å; R32-N38 PolarHBondContact O-ND2 2.81Å; R32-D48 IonicContact CZ-OD1 3.71Å; R32-D48 VanDerWaalsContact NH1-CG 3.29Å; R32-D48 IonicContact NH1-OD1 3.56Å; R32-D48 PolarHBondContact NH1-OD1 3.11Å; R32-D48 IonicContact NH1-OD2 2.8Å; R32-D48 PolarHBondContact NH1-OD2 3.13Å
33T68Low65.7Low19 Ų1951.7 Ų51.712%0.11731%0.306CS..THydrogen-bonded Turntrans-90.5-1.8167.170.40000113.4G29 Y30 L31 T1821 F1822G29-T33 PolarHBondContact O-N 2.85Å; Y30-T33 PolarHBondContact O-N 2.93Å; Y30-T33 PolarHBondContact O-OG1 2.86Å; L31-T33 VanDerWaalsContact C-N 3.27Å; L31-T33 PolarHBondContact O-N 2.83Å; T33-T1821 HydrophobicContact CG2-CG2 3.92Å; T33-F1822 HydrophobicContact CG2-CD2 4.31Å
34I67.7Low64.2Low6 Ų652.9 Ų52.93%0.03132%0.319CS..  trans-90.4107.9-177.9-63.1176.4000109.2L31 G36 L37 N38 I81 R97L31-I34 HydrophobicContact CD2-CD1 4.08Å; L31-I34 WeakPolarHBondContact O-CB 3.34Å; L31-I34 PolarHBondContact O-N 2.77Å; I34-G36 VanDerWaalsContact C-N 3.27Å; I34-G36 PolarHBondContact O-N 2.96Å; I34-L37 HydrophobicContact CB-CB 4.48Å; I34-L37 HydrophobicContact CB-CD1 4.03Å; I34-L37 HydrophobicContact CB-CG 4.18Å; I34-L37 HydrophobicContact CD1-CD1 4.22Å; I34-L37 HydrophobicContact CG2-CB 4.46Å; I34-L37 HydrophobicContact CG2-CD1 4.07Å; I34-L37 HydrophobicContact CG2-CG 3.87Å; I34-L37 WeakPolarHBondContact O-CB 3.18Å; I34-L37 PolarHBondContact O-N 3.47Å; I34-N38 PolarHBondContact O-N 3.39Å; I34-I81 HydrophobicContact CD1-CG2 4.1Å; I34-R97 HydrophobicContact CG1-CG 4.45Å; I34-R97 HydrophobicContact CG2-CB 4.15Å; I34-R97 WeakPolarHBondContact CG2-O 3.5Å
35E57.3Low62.6Low156 Ų15656.1 Ų56.173%0.72934%0.34SS*.THydrogen-bonded Turntrans-52.8-40.9-176.8-64.7-178.4152.700113.1L37 N38E35-L37 PolarHBondContact O-N 2.87Å; E35-L37 VanDerWaalsContact O-N 3.15Å; E35-N38 CarbonylContact O-C 3.59Å; E35-N38 VanDerWaalsContact O-C 3.27Å; E35-N38 WeakPolarHBondContact O-CA 3.42Å; E35-N38 PolarHBondContact O-N 2.87Å
36G54.4Low60.9Low30 Ų3061.9 Ų61.931%0.30935%0.352SS..THydrogen-bonded Turntrans-60.8-23.3177.400000114.4I34 Y99I34-G36 VanDerWaalsContact C-N 3.27Å; I34-G36 PolarHBondContact O-N 2.96Å; G36-Y99 WeakPolarHBondContact O-CE1 3.15Å
37L61.4Low60.1Low14 Ų1465.6 Ų65.67%0.07337%0.365CS..THydrogen-bonded Turntrans-88.3-27.1173.9-58.7178.6000111.6L31 I34 E35 L51 W79 I81 Y99L31-L37 HydrophobicContact CD2-CD1 4.49Å; I34-L37 HydrophobicContact CB-CB 4.48Å; I34-L37 HydrophobicContact CB-CD1 4.03Å; I34-L37 HydrophobicContact CB-CG 4.18Å; I34-L37 HydrophobicContact CD1-CD1 4.22Å; I34-L37 HydrophobicContact CG2-CB 4.46Å; I34-L37 HydrophobicContact CG2-CD1 4.07Å; I34-L37 HydrophobicContact CG2-CG 3.87Å; I34-L37 WeakPolarHBondContact O-CB 3.18Å; I34-L37 PolarHBondContact O-N 3.47Å; E35-L37 PolarHBondContact O-N 2.87Å; E35-L37 VanDerWaalsContact O-N 3.15Å; L37-L51 HydrophobicContact CB-CD2 4.21Å; L37-L51 HydrophobicContact CD1-CD2 3.89Å; L37-L51 HydrophobicContact CG-CD2 4.45Å; L37-W79 HydrophobicContact CD2-CH2 3.91Å; L37-W79 HydrophobicContact CD2-CZ2 4.14Å; L37-I81 HydrophobicContact CD1-CD1 4.24Å; L37-Y99 HydrophobicContact CD2-CD1 3.7Å; L37-Y99 HydrophobicContact CD2-CE1 3.99Å; L37-Y99 HydrophobicContact CD2-CG 4.43Å
38N52.9Low59.4Low70 Ų7066.8 Ų66.837%0.37437%0.371SS..  trans-104.760.7-177.4-74.310.8000113.7R32 I34 E35 S40R32-N38 PolarHBondContact O-ND2 2.81Å; I34-N38 PolarHBondContact O-N 3.39Å; E35-N38 CarbonylContact O-C 3.59Å; E35-N38 VanDerWaalsContact O-C 3.27Å; E35-N38 WeakPolarHBondContact O-CA 3.42Å; E35-N38 PolarHBondContact O-N 2.87Å; N38-S40 PolarHBondContact O-N 2.93Å
39L44.3Very low58.7Low120 Ų12070 Ų7063%0.62839%0.39SS*.  trans-72.9120.6164.1-71.3171.8000110.1G41L39-G41 PolarHBondContact O-N 2.94Å
40S39.4Very low58.1Low130 Ų13073.9 Ų73.991%0.90941%0.406SS*.  trans-75.388.1-175.354.20000112.1N38N38-S40 PolarHBondContact O-N 2.93Å
41G44.7Very low58Low30 Ų3072.9 Ų72.931%0.30940%0.403SS..SBendtrans-133.1171.7171.200000112.6L39 S43 S44L39-G41 PolarHBondContact O-N 2.94Å; G41-S43 PolarHBondContact O-N 3.43Å; G41-S44 PolarHBondContact O-N 3.49Å
42P39Very low58.1Low142 Ų14278 Ų7892%0.92242%0.422SS*.THydrogen-bonded Turntrans-67.14.4-172.826.2-35.1000115.7
43S47.6Very low58Low67 Ų6774.5 Ų74.547%0.46941%0.413SS..THydrogen-bonded Turntrans-104.28.4176.459.80000114.3G41 T45 Y46 R47G41-S43 PolarHBondContact O-N 3.43Å; S43-T45 PolarHBondContact O-N 3.26Å; S43-T45 VanDerWaalsContact O-N 3.09Å; S43-Y46 WeakPolarHBondContact O-CB 3.4Å; S43-Y46 PolarHBondContact O-N 3.45Å; S43-R47 PolarHBondContact O-N 3.1Å
44S50.7Low58.5Low70 Ų7074.2 Ų74.249%0.4941%0.411SS..Hα-helixtrans-49-39-175.660.90000114.2G41 Y46 R47 D48G41-S44 PolarHBondContact O-N 3.49Å; S44-Y46 VanDerWaalsContact C-N 3.31Å; S44-Y46 PolarHBondContact O-N 3.05Å; S44-R47 PolarHBondContact O-N 3.06Å; S44-D48 WeakPolarHBondContact O-CB 3.48Å; S44-D48 PolarHBondContact O-N 2.94Å
45T50.6Low59.1Low98 Ų9874 Ų7460%0.60141%0.41SS*.Hα-helixtrans-66.6-24.5178.854.90000114.5S43 N49S43-T45 PolarHBondContact O-N 3.26Å; S43-T45 VanDerWaalsContact O-N 3.09Å; T45-N49 PolarHBondContact O-ND2 3.2Å
46Y47.2Very low60.1Low171 Ų17173.1 Ų73.167%0.67140%0.4SS*.Hα-helixtrans-77-48.3173-112.4-92.4000110.8S43 S44 D48 N49 E50S43-Y46 WeakPolarHBondContact O-CB 3.4Å; S43-Y46 PolarHBondContact O-N 3.45Å; S44-Y46 VanDerWaalsContact C-N 3.31Å; S44-Y46 PolarHBondContact O-N 3.05Å; Y46-D48 VanDerWaalsContact C-N 3.28Å; Y46-D48 PolarHBondContact O-N 3.46Å; Y46-N49 WeakPolarHBondContact O-CB 3.45Å; Y46-N49 PolarHBondContact O-N 3.37Å; Y46-E50 PolarHBondContact O-N 3.31Å
47R62.7Low61.3Low94 Ų9475.6 Ų75.636%0.35540%0.4SS..Hα-helixtrans-60.9-35.5176.3-72.2-170.8175.8-162.32.2112.6S43 S44 N49 E50 L51S43-R47 PolarHBondContact O-N 3.1Å; S44-R47 PolarHBondContact O-N 3.06Å; R47-N49 PolarHBondContact O-N 3.32Å; R47-E50 PolarHBondContact O-N 2.81Å; R47-E50 VanDerWaalsContact O-N 3.12Å; R47-L51 WeakPolarHBondContact O-CB 3.44Å; R47-L51 WeakPolarHBondContact O-CG 3.5Å; R47-L51 PolarHBondContact O-N 2.83Å
48D68.7Low62.4Low24 Ų2474.9 Ų74.913%0.12840%0.397CS..Hα-helixtrans-57.8-34.4174.4-131.142000112.3F28 R32 S44 Y46 R52F28-D48 WeakPolarHBondContact CZ-OD1 3.36Å; R32-D48 IonicContact CZ-OD1 3.71Å; R32-D48 VanDerWaalsContact NH1-CG 3.29Å; R32-D48 IonicContact NH1-OD1 3.56Å; R32-D48 PolarHBondContact NH1-OD1 3.11Å; R32-D48 IonicContact NH1-OD2 2.8Å; R32-D48 PolarHBondContact NH1-OD2 3.13Å; S44-D48 WeakPolarHBondContact O-CB 3.48Å; S44-D48 PolarHBondContact O-N 2.94Å; Y46-D48 VanDerWaalsContact C-N 3.28Å; Y46-D48 PolarHBondContact O-N 3.46Å; D48-R52 WeakPolarHBondContact O-CB 3.49Å; D48-R52 VanDerWaalsContact O-CD 3.32Å; D48-R52 WeakPolarHBondContact O-CD 3.27Å; D48-R52 WeakPolarHBondContact O-CG 3.46Å; D48-R52 PolarHBondContact O-N 3.29Å; D48-R52 VanDerWaalsContact O-N 3.17Å; D48-R52 IonicContact OD2-CZ 2.67Å; D48-R52 IonicContact OD2-NE 3.6Å; D48-R52 IonicContact OD2-NH2 3.41Å; D48-R52 PolarHBondContact OD2-NH2 3.19Å
49N68.6Low63.8Low98 Ų9876.9 Ų76.952%0.52440%0.399SS..Hα-helixtrans-77.5-35.6176.1-73.8-57.3000112.6T45 Y46 R47 R52 A53T45-N49 PolarHBondContact O-ND2 3.2Å; Y46-N49 WeakPolarHBondContact O-CB 3.45Å; Y46-N49 PolarHBondContact O-N 3.37Å; R47-N49 PolarHBondContact O-N 3.32Å; N49-R52 PolarHBondContact O-N 3.11Å; N49-A53 PolarHBondContact O-N 2.86Å
50E66.5Low65.8Low90 Ų9074 Ų7442%0.42138%0.38SS..Hα-helixtrans-65.3-47.8173.5-63.3-178.6132.700110.9Y46 R47 R52 A53 I54Y46-E50 PolarHBondContact O-N 3.31Å; R47-E50 PolarHBondContact O-N 2.81Å; R47-E50 VanDerWaalsContact O-N 3.12Å; E50-R52 VanDerWaalsContact C-N 3.27Å; E50-R52 PolarHBondContact O-N 2.77Å; E50-A53 CarbonylContact O-C 3.52Å; E50-A53 WeakPolarHBondContact O-CA 3.5Å; E50-A53 WeakPolarHBondContact O-CB 3.48Å; E50-A53 PolarHBondContact O-N 3.17Å; E50-I54 WeakPolarHBondContact O-CD1 3.29Å; E50-I54 WeakPolarHBondContact O-CG1 3.48Å; E50-I54 PolarHBondContact O-N 3.37Å
51L74.6Confident68Low9 Ų972.3 Ų72.35%0.04735%0.354CS..Hα-helixtrans-59.1-36.3174.8-70.8172.6000112.1F28 L37 R47 A53 I54 S55F28-L51 HydrophobicContact CD2-CB 3.99Å; F28-L51 HydrophobicContact CE2-CB 3.9Å; L37-L51 HydrophobicContact CB-CD2 4.21Å; L37-L51 HydrophobicContact CD1-CD2 3.89Å; L37-L51 HydrophobicContact CG-CD2 4.45Å; R47-L51 WeakPolarHBondContact O-CB 3.44Å; R47-L51 WeakPolarHBondContact O-CG 3.5Å; R47-L51 PolarHBondContact O-N 2.83Å; L51-A53 VanDerWaalsContact C-N 3.35Å; L51-I54 HydrophobicContact CD2-CD1 4.22Å; L51-S55 WeakPolarHBondContact O-CB 3.33Å; L51-S55 PolarHBondContact O-N 3.17Å; L51-S55 PolarHBondContact O-OG 3.37Å
52R78.5Confident70Confident107 Ų10777.2 Ų77.240%0.40436%0.363SS..Hα-helixtrans-69.1-27.9171.3-72.9167.7-164.4-172.18.6113.5F28 D48 N49 E50 R56F28-R52 HydrophobicContact CD1-CG 4.36Å; F28-R52 HydrophobicContact CD2-CB 4.44Å; F28-R52 HydrophobicContact CD2-CG 3.5Å; F28-R52 HydrophobicContact CE1-CG 4.44Å; F28-R52 HydrophobicContact CE2-CG 3.61Å; F28-R52 HydrophobicContact CG-CG 3.9Å; F28-R52 HydrophobicContact CZ-CG 4.09Å; D48-R52 WeakPolarHBondContact O-CB 3.49Å; D48-R52 VanDerWaalsContact O-CD 3.32Å; D48-R52 WeakPolarHBondContact O-CD 3.27Å; D48-R52 WeakPolarHBondContact O-CG 3.46Å; D48-R52 PolarHBondContact O-N 3.29Å; D48-R52 VanDerWaalsContact O-N 3.17Å; D48-R52 IonicContact OD2-CZ 2.67Å; D48-R52 IonicContact OD2-NE 3.6Å; D48-R52 IonicContact OD2-NH2 3.41Å; D48-R52 PolarHBondContact OD2-NH2 3.19Å; N49-R52 PolarHBondContact O-N 3.11Å; E50-R52 VanDerWaalsContact C-N 3.27Å; E50-R52 PolarHBondContact O-N 2.77Å; R52-R56 WeakPolarHBondContact O-CD 3.21Å; R52-R56 WeakPolarHBondContact O-CG 3.38Å
53A73.9Confident72.2Confident20 Ų2070.5 Ų70.517%0.16532%0.319CS..Hα-helixtrans-76.3-46.2174.200000111N49 E50 L51 S55 R56 Y57 Y130N49-A53 PolarHBondContact O-N 2.86Å; E50-A53 CarbonylContact O-C 3.52Å; E50-A53 WeakPolarHBondContact O-CA 3.5Å; E50-A53 WeakPolarHBondContact O-CB 3.48Å; E50-A53 PolarHBondContact O-N 3.17Å; L51-A53 VanDerWaalsContact C-N 3.35Å; A53-S55 VanDerWaalsContact C-N 3.34Å; A53-S55 PolarHBondContact O-N 3.02Å; A53-R56 WeakPolarHBondContact O-CB 3.38Å; A53-R56 PolarHBondContact O-N 2.95Å; A53-R56 VanDerWaalsContact O-N 3.16Å; A53-Y57 WeakPolarHBondContact O-CD2 3.43Å; A53-Y57 PolarHBondContact O-N 3.22Å; A53-Y130 HydrophobicContact CB-CE1 4.26Å; A53-Y130 WeakPolarHBondContact CB-OH 3.33Å
54I76.9Confident73.7Confident13 Ų1370.9 Ų70.97%0.06732%0.32CS..Hα-helixtrans-53.4-51.1171.4-67.1151.5000109.8L31 E50 L51 R56 Y57 A58 W79L31-I54 HydrophobicContact CD1-CG2 4.14Å; E50-I54 WeakPolarHBondContact O-CD1 3.29Å; E50-I54 WeakPolarHBondContact O-CG1 3.48Å; E50-I54 PolarHBondContact O-N 3.37Å; L51-I54 HydrophobicContact CD2-CD1 4.22Å; I54-R56 PolarHBondContact O-N 3.03Å; I54-Y57 PolarHBondContact O-N 3.43Å; I54-A58 HydrophobicContact CG2-CB 4.23Å; I54-A58 WeakPolarHBondContact O-CB 3.31Å; I54-A58 PolarHBondContact O-N 3.26Å; I54-W79 HydrophobicContact CD1-CE3 4.45Å; I54-W79 HydrophobicContact CD1-CH2 4.21Å; I54-W79 HydrophobicContact CD1-CZ3 3.53Å; I54-W79 HydrophobicContact CG1-CZ3 4.03Å; I54-W79 HydrophobicContact CG2-CZ3 4.28Å
55S81.6Confident74.9Confident1 Ų168.6 Ų68.61%0.00731%0.307CS..Hα-helixtrans-54.3-29.6-179.5-60.70000114.4R19 N24 F28 L51 A53R19-S55 PolarHBondContact NH1-O 2.8Å; R19-S55 VanDerWaalsContact NH1-O 3.1Å; N24-S55 PolarHBondContact OD1-O 3.21Å; F28-S55 VanDerWaalsContact CA-OG 3.27Å; F28-S55 WeakPolarHBondContact CA-OG 3.43Å; F28-S55 WeakPolarHBondContact CB-OG 3.36Å; F28-S55 PolarHBondContact N-OG 3.38Å; L51-S55 WeakPolarHBondContact O-CB 3.33Å; L51-S55 PolarHBondContact O-N 3.17Å; L51-S55 PolarHBondContact O-OG 3.37Å; A53-S55 VanDerWaalsContact C-N 3.34Å; A53-S55 PolarHBondContact O-N 3.02Å
56R78.3Confident76.2Confident137 Ų13771.1 Ų71.152%0.51732%0.317SS..Hα-helixtrans-76.7-34.9178.5-67.7166.1-172.9179.92.9113.1P16 R52 A53 I54P16-R56 WeakPolarHBondContact CB-O 3.2Å; R52-R56 WeakPolarHBondContact O-CD 3.21Å; R52-R56 WeakPolarHBondContact O-CG 3.38Å; A53-R56 WeakPolarHBondContact O-CB 3.38Å; A53-R56 PolarHBondContact O-N 2.95Å; A53-R56 VanDerWaalsContact O-N 3.16Å; I54-R56 PolarHBondContact O-N 3.03Å
57Y80Confident77.8Confident82 Ų8266.2 Ų66.232%0.32230%0.301SS..Hα-helixtrans-111.3-21.9-169.7-61.8-58.8000114.6P16 A53 I54 N129 Y130P16-Y57 VanDerWaalsContact CG-O 3.31Å; P16-Y57 WeakPolarHBondContact CG-O 3.2Å; A53-Y57 WeakPolarHBondContact O-CD2 3.43Å; A53-Y57 PolarHBondContact O-N 3.22Å; I54-Y57 PolarHBondContact O-N 3.43Å; Y57-N129 HydrophobicContact CD1-CB 4.32Å; Y57-N129 HydrophobicContact CG-CB 4.29Å; Y57-Y130 HydrophobicContact CD2-CE2 4.44Å
58A83.9Confident78.7Confident0 Ų064.4 Ų64.40%030%0.299CS..  trans-47.9137.7175.200000112.6L12 R19 I54 V123 I124L12-A58 HydrophobicContact CD2-CB 4.15Å; R19-A58 VanDerWaalsContact CZ-O 3.23Å; R19-A58 PolarHBondContact NH1-O 3.35Å; R19-A58 PolarHBondContact NH2-O 3.04Å; I54-A58 HydrophobicContact CG2-CB 4.23Å; I54-A58 WeakPolarHBondContact O-CB 3.31Å; I54-A58 PolarHBondContact O-N 3.26Å; A58-V123 HydrophobicContact CB-CG1 3.57Å; A58-I124 CarbonylContact C-O 3.58Å; A58-I124 WeakPolarHBondContact CA-O 3.29Å
59R82.4Confident79.4Confident112 Ų11264.1 Ų64.142%0.42330%0.297SS..EExtended strand (participates in β ladder)trans-124.2144.6176.6-52.4-172.8-168.6165.62.8110.2P16 V123 I124 Y126P16-R59 HydrophobicContact CG-CG 4.06Å; R59-V123 CarbonylContact O-C 3.6Å; R59-I124 PolarHBondContact N-O 3.46Å; R59-I124 PolarHBondContact O-N 2.87Å; R59-Y126 HydrophobicContact CG-CE2 4.45Å
60Y87.1Confident80.2Confident60 Ų6060.3 Ų60.324%0.23528%0.275CS..EExtended strand (participates in β ladder)trans-82.3142.4171.3162.4-98.1000111.8I9 L12 R62 I83 D121 L122I9-Y60 HydrophobicContact CB-CD2 4.48Å; I9-Y60 HydrophobicContact CB-CE2 4.29Å; I9-Y60 HydrophobicContact CD1-CE2 4.03Å; I9-Y60 HydrophobicContact CG1-CD2 4.08Å; I9-Y60 HydrophobicContact CG1-CE2 3.81Å; I9-Y60 HydrophobicContact CG2-CD1 4.04Å; I9-Y60 HydrophobicContact CG2-CD2 3.98Å; I9-Y60 HydrophobicContact CG2-CE1 3.68Å; I9-Y60 HydrophobicContact CG2-CE2 3.6Å; I9-Y60 HydrophobicContact CG2-CG 4.16Å; I9-Y60 VanDerWaalsContact CG2-CZ 3.4Å; L12-Y60 PolarHBondContact O-N 2.97Å; Y60-R62 HydrophobicContact CE1-CB 4.49Å; Y60-I83 HydrophobicContact CD2-CD1 4.16Å; Y60-D121 HydrophobicContact CE2-CB 3.85Å; Y60-D121 WeakPolarHBondContact CE2-OD1 3.28Å; Y60-D121 PolarHBondContact OH-OD1 3.44Å; Y60-L122 CarbonylContact C-O 3.55Å; Y60-L122 WeakPolarHBondContact CA-O 3.41Å
61R84.8Confident80.9Confident93 Ų9360.3 Ų60.335%0.35128%0.275SS..EExtended strand (participates in β ladder)trans-144.3117.2169.9-177.6-174.5-179.2179.4-7.4109.7V63 L122 I124R61-V63 HydrophobicContact CG-CG2 3.9Å; R61-L122 PolarHBondContact N-O 3.31Å; R61-L122 WeakPolarHBondContact O-CB 3.39Å; R61-L122 PolarHBondContact O-N 3.29Å; R61-I124 HydrophobicContact CB-CD1 3.55Å; R61-I124 HydrophobicContact CB-CG1 4.25Å; R61-I124 VanDerWaalsContact CD-CD1 3.44Å; R61-I124 HydrophobicContact CG-CD1 4.15Å
62R86.7Confident81Confident133 Ų13362.4 Ų62.450%0.50229%0.293SS..EExtended strand (participates in β ladder)trans-76.5138.3161-167.3171.3-165.193.8-1109.6Y60 S120 D121Y60-R62 HydrophobicContact CE1-CB 4.49Å; R62-S120 CarbonylContact C-O 3.57Å; R62-S120 WeakPolarHBondContact CA-O 3.42Å; R62-D121 WeakPolarHBondContact CB-OD1 3.18Å; R62-D121 WeakPolarHBondContact CG-OD1 3.29Å; R62-D121 IonicContact CZ-OD1 3.78Å; R62-D121 IonicContact CZ-OD2 2.88Å; R62-D121 IonicContact NE-OD1 3.8Å; R62-D121 IonicContact NH1-OD1 3.37Å; R62-D121 PolarHBondContact NH1-OD1 3.14Å; R62-D121 IonicContact NH1-OD2 2.79Å; R62-D121 PolarHBondContact NH1-OD2 2.79Å
63V84.9Confident80.5Confident1 Ų159.7 Ų59.71%0.00630%0.299CS..EExtended strand (participates in β ladder)trans-127.8130178.8-171.80000107.9R61 M67 L69 V116 P119 S120 L122R61-V63 HydrophobicContact CG-CG2 3.9Å; V63-M67 HydrophobicContact CG1-CB 4.04Å; V63-M67 HydrophobicContact CG1-CG 4.05Å; V63-M67 HydrophobicContact CG1-SD 3.74Å; V63-L69 HydrophobicContact CG1-CD1 4.45Å; V63-L69 HydrophobicContact CG2-CD1 4.06Å; V63-V116 HydrophobicContact CB-CG1 4.47Å; V63-V116 HydrophobicContact CB-CG2 4.26Å; V63-V116 HydrophobicContact CG1-CB 4.3Å; V63-V116 HydrophobicContact CG1-CG1 4.4Å; V63-V116 HydrophobicContact CG1-CG2 3.8Å; V63-P119 CarbonylContact O-C 3.56Å; V63-P119 WeakPolarHBondContact O-CA 3.39Å; V63-S120 PolarHBondContact N-O 2.82Å; V63-S120 PolarHBondContact O-N 3.43Å; V63-L122 HydrophobicContact CG2-CD1 3.73Å; V63-L122 HydrophobicContact CG2-CG 4.38Å
64P78.9Confident80.7Confident76 Ų7663 Ų6349%0.49431%0.311SS..  trans-67.2157.6177.628.8-34.4000111.5M67 V116P64-M67 HydrophobicContact CG-CB 4.12Å; P64-M67 HydrophobicContact CG-SD 4.2Å; P64-M67 WeakPolarHBondContact O-CB 3.19Å; P64-V116 WeakPolarHBondContact O-CG1 3.45Å
65G77.3Confident80.3Confident21 Ų2170.3 Ų70.322%0.21634%0.338CS..THydrogen-bonded Turntrans-62.2164.4167.100000112.1M67 V116G65-M67 PolarHBondContact O-N 3.41Å; G65-M67 VanDerWaalsContact O-N 3.07Å; G65-V116 CarbonylContact C-O 3.56Å
66D76.3Confident79.9Confident151 Ų15171.8 Ų71.881%0.80735%0.348SS*.THydrogen-bonded Turntrans57.310.3-171.5-60.8-47.2000115V116D66-V116 PolarHBondContact N-O 2.95Å
67M80.7Confident79.5Confident69 Ų6968.7 Ų68.734%0.3434%0.342SS..EExtended strand (participates in β ladder)trans-95.4124.5177.3-177.7169.8177.600111.6V63 P64 G65 L69 V116V63-M67 HydrophobicContact CG1-CB 4.04Å; V63-M67 HydrophobicContact CG1-CG 4.05Å; V63-M67 HydrophobicContact CG1-SD 3.74Å; P64-M67 HydrophobicContact CG-CB 4.12Å; P64-M67 HydrophobicContact CG-SD 4.2Å; P64-M67 WeakPolarHBondContact O-CB 3.19Å; G65-M67 PolarHBondContact O-N 3.41Å; G65-M67 VanDerWaalsContact O-N 3.07Å; M67-L69 PolarHBondContact O-N 3Å; M67-V116 WeakPolarHBondContact O-CB 3.37Å; M67-V116 PolarHBondContact O-N 2.71Å
68L81.8Confident79.4Confident56 Ų5665 Ų6529%0.29333%0.327SS..EExtended strand (participates in β ladder)trans-74.7122166.1-168.3153.1000109.3Y70 H71 D113 C114L68-Y70 WeakPolarHBondContact CD2-O 3.35Å; L68-H71 VanDerWaalsContact CD1-CE1 3.48Å; L68-H71 WeakPolarHBondContact CD1-CE1 3.22Å; L68-H71 HydrophobicContact CD2-CB 4.35Å; L68-H71 WeakPolarHBondContact CD2-ND1 3.49Å; L68-D113 HydrophobicContact CD1-CB 4.11Å; L68-C114 CarbonylContact C-O 3.56Å; L68-C114 WeakPolarHBondContact CA-O 3.2Å
69L84.8Confident79.2Confident18 Ų1866 Ų669%0.09433%0.331CS..EExtended strand (participates in β ladder)trans-85.6-40.7-169.5178.162.1000113.1V63 M67 F80 F100 C114 V116 L122V63-L69 HydrophobicContact CG1-CD1 4.45Å; V63-L69 HydrophobicContact CG2-CD1 4.06Å; M67-L69 PolarHBondContact O-N 3Å; L69-F80 HydrophobicContact CD1-CE1 4.13Å; L69-F80 HydrophobicContact CD1-CZ 4.44Å; L69-F80 HydrophobicContact CD2-CD1 4.04Å; L69-F80 HydrophobicContact CD2-CE1 3.88Å; L69-F80 HydrophobicContact CD2-CE2 4.4Å; L69-F80 HydrophobicContact CD2-CG 4.38Å; L69-F80 HydrophobicContact CD2-CZ 4.08Å; L69-F80 HydrophobicContact CG-CE1 4.19Å; L69-F80 HydrophobicContact CG-CZ 4.16Å; L69-F100 HydrophobicContact CD2-CE2 3.65Å; L69-F100 HydrophobicContact CD2-CZ 3.85Å; L69-C114 HydrophobicContact CB-CB 4.45Å; L69-C114 PolarHBondContact N-O 3.47Å; L69-V116 HydrophobicContact CB-CG2 4.1Å; L69-L122 HydrophobicContact CD1-CD1 4.05Å; L69-L122 HydrophobicContact CD2-CD1 3.57Å; L69-L122 HydrophobicContact CG-CD1 4.48Å
70Y85Confident79.3Confident17 Ų1760.8 Ų60.87%0.06731%0.312CS..EExtended strand (participates in β ladder)trans-152149.8169.257.8-106.9000109.6L68 E74 F80 F100 R110 N112 C114L68-Y70 WeakPolarHBondContact CD2-O 3.35Å; Y70-E74 VanDerWaalsContact CA-OE2 3.3Å; Y70-E74 WeakPolarHBondContact CA-OE2 3.25Å; Y70-F80 HydrophobicContact CD1-CD2 4.39Å; Y70-F80 AromaticContact CD1-CE2 3.57Å; Y70-F80 HydrophobicContact CD1-CE2 3.57Å; Y70-F80 HydrophobicContact CD1-CZ 4.06Å; Y70-F80 AromaticContact CE1-CD2 3.9Å; Y70-F80 HydrophobicContact CE1-CD2 3.9Å; Y70-F80 AromaticContact CE1-CE2 3.51Å; Y70-F80 HydrophobicContact CE1-CE2 3.51Å; Y70-F80 HydrophobicContact CE1-CZ 4.39Å; Y70-F100 HydrophobicContact CE1-CD2 4.17Å; Y70-F100 HydrophobicContact CE1-CE2 4.15Å; Y70-R110 HydrophobicContact CD2-CB 3.78Å; Y70-R110 HydrophobicContact CD2-CG 3.61Å; Y70-R110 HydrophobicContact CE2-CB 4.1Å; Y70-R110 HydrophobicContact CE2-CG 4.16Å; Y70-R110 HydrophobicContact CG-CG 4.01Å; Y70-N112 VanDerWaalsContact CE2-O 3.29Å; Y70-N112 WeakPolarHBondContact CE2-O 3.39Å; Y70-C114 HydrophobicContact CD1-CB 3.98Å; Y70-C114 HydrophobicContact CD2-CB 3.69Å; Y70-C114 HydrophobicContact CE1-CB 3.72Å; Y70-C114 HydrophobicContact CE2-CB 3.41Å; Y70-C114 VanDerWaalsContact CE2-CB 3.41Å; Y70-C114 HydrophobicContact CG-CB 3.97Å; Y70-C114 VanDerWaalsContact CZ-CB 3.43Å; Y70-C114 PolarHBondContact O-N 3.38Å; Y70-C114 VanDerWaalsContact O-N 3.07Å
71H80.5Confident79.2Confident91 Ų9158.1 Ų58.142%0.42130%0.301SS..  trans-91.4153.4178.1-83.4-64.9000112.8L68 G73 E74 R110 D113L68-H71 VanDerWaalsContact CD1-CE1 3.48Å; L68-H71 WeakPolarHBondContact CD1-CE1 3.22Å; L68-H71 HydrophobicContact CD2-CB 4.35Å; L68-H71 WeakPolarHBondContact CD2-ND1 3.49Å; H71-G73 PolarHBondContact O-N 3.44Å; H71-E74 HydrophobicContact CB-CG 3.94Å; H71-E74 PolarHBondContact N-OE2 3.04Å; H71-E74 PolarHBondContact O-N 3.16Å; H71-R110 VanDerWaalsContact O-CB 3.25Å; H71-R110 WeakPolarHBondContact O-CB 3.49Å; H71-D113 WeakPolarHBondContact CA-OD1 3.34Å; H71-D113 IonicContact CG-OD1 3.82Å; H71-D113 IonicContact ND1-OD1 3.15Å; H71-D113 PolarHBondContact ND1-OD1 3.43Å
72A76.1Confident79.1Confident52 Ų5253.7 Ų53.743%0.4329%0.285SS..THydrogen-bonded Turntrans-55.9128.4161.800000110.3R111 D113A72-R111 WeakPolarHBondContact CB-O 3.33Å; A72-D113 PolarHBondContact N-OD1 3.09Å
73G69.3Low78.9Confident50 Ų5048.2 Ų48.252%0.51527%0.265SS..THydrogen-bonded Turntrans86.60.5-177.300000116.2H71 Y109 R110H71-G73 PolarHBondContact O-N 3.44Å; G73-Y109 WeakPolarHBondContact O-CD1 3.31Å; G73-R110 PolarHBondContact N-O 3.08Å
74E77.4Confident78.6Confident91 Ų9149.4 Ų49.443%0.42527%0.273SS..SBendtrans-74.9164.8165.5-73.1-177.9151.500111.4Y70 H71 Y109 R110Y70-E74 VanDerWaalsContact CA-OE2 3.3Å; Y70-E74 WeakPolarHBondContact CA-OE2 3.25Å; H71-E74 HydrophobicContact CB-CG 3.94Å; H71-E74 PolarHBondContact N-OE2 3.04Å; H71-E74 PolarHBondContact O-N 3.16Å; E74-Y109 CarbonylContact O-C 3.41Å; E74-Y109 VanDerWaalsContact O-CA 3.25Å; E74-Y109 WeakPolarHBondContact O-CA 3.44Å; E74-R110 HydrophobicContact CB-CG 4.09Å; E74-R110 WeakPolarHBondContact O-CG 3.26Å; E74-R110 PolarHBondContact O-N 3.39Å
75W69.5Low78.6Confident166 Ų16646.2 Ų46.263%0.62925%0.254SS*.BIsolated β-bridgetrans-76.9147.5178.8-76.157.6000111.8D77 F108 Y109 R110W75-D77 PolarHBondContact O-N 3.18Å; W75-F108 CarbonylContact C-O 3.48Å; W75-F108 VanDerWaalsContact CA-O 3.31Å; W75-F108 WeakPolarHBondContact CA-O 3.33Å; W75-F108 HydrophobicContact CE3-CB 4.21Å; W75-F108 HydrophobicContact CZ3-CB 4.29Å; W75-Y109 AromaticContact CD1-CE1 3.52Å; W75-Y109 HydrophobicContact CD2-CE1 4.4Å; W75-Y109 AromaticContact CE2-CE1 3.87Å; W75-Y109 AromaticContact CE2-CZ 3.8Å; W75-Y109 HydrophobicContact CG-CD1 4.5Å; W75-Y109 HydrophobicContact CG-CE1 4.22Å; W75-Y109 WeakPolarHBondContact CZ2-OH 3.22Å; W75-Y109 AromaticContact NE1-CE1 3.27Å; W75-Y109 VanDerWaalsContact NE1-CE1 3.27Å; W75-Y109 AromaticContact NE1-CZ 3.63Å; W75-Y109 PolarHBondContact NE1-OH 3.23Å; W75-R110 PolarHBondContact O-NE 2.94Å
76C71.6Confident78.7Confident32 Ų3245.6 Ų45.622%0.21625%0.247CC..  trans-76.465.3173.6-74.50000111.7S78 F108 Y109 R110C76-S78 VanDerWaalsContact C-N 3.28Å; C76-S78 PolarHBondContact O-N 3.19Å; C76-F108 PolarHBondContact N-O 3.05Å; C76-Y109 PolarHBondContact SG-O 2.96Å; C76-R110 PolarHBondContact SG-N 3.18Å
77D71.3Confident78.8Confident72 Ų7238.4 Ų38.439%0.38521%0.209SC..  trans-68.8-24.3179.375.6-37.2000113.9W75 R110 L127W75-D77 PolarHBondContact O-N 3.18Å; D77-R110 IonicContact OD1-CZ 3.75Å; D77-R110 IonicContact OD1-NH2 3.8Å; D77-R110 PolarHBondContact OD1-NH2 3.35Å; D77-L127 PolarHBondContact O-N 3.07Å; D77-L127 VanDerWaalsContact O-N 3.07Å
78S76.7Confident78.6Confident3 Ų337.8 Ų37.82%0.02121%0.206CC..EExtended strand (participates in β ladder)trans-156.5151.4-165.458.10000114.9C76 F80 R110 D125C76-S78 VanDerWaalsContact C-N 3.28Å; C76-S78 PolarHBondContact O-N 3.19Å; S78-F80 WeakPolarHBondContact OG-CZ 3.16Å; S78-R110 VanDerWaalsContact O-CZ 3.23Å; S78-R110 PolarHBondContact O-NH1 2.67Å; S78-R110 PolarHBondContact O-NH2 3.03Å; S78-R110 PolarHBondContact OG-NH2 2.73Å; S78-D125 CarbonylContact C-O 3.5Å; S78-D125 WeakPolarHBondContact CA-O 2.75Å; S78-D125 WeakPolarHBondContact CB-O 3.27Å
79W80Confident78.3Confident21 Ų2135.9 Ų35.98%0.0820%0.196CC..EExtended strand (participates in β ladder)trans-111.5142.7174.7173.751.2000110.7L37 I54 I81 Y99 G101 I124 D125L37-W79 HydrophobicContact CD2-CH2 3.91Å; L37-W79 HydrophobicContact CD2-CZ2 4.14Å; I54-W79 HydrophobicContact CD1-CE3 4.45Å; I54-W79 HydrophobicContact CD1-CH2 4.21Å; I54-W79 HydrophobicContact CD1-CZ3 3.53Å; I54-W79 HydrophobicContact CG1-CZ3 4.03Å; I54-W79 HydrophobicContact CG2-CZ3 4.28Å; W79-I81 HydrophobicContact CH2-CD1 3.84Å; W79-I81 HydrophobicContact CH2-CG1 4Å; W79-I81 HydrophobicContact CZ2-CD1 4.44Å; W79-I81 HydrophobicContact CZ2-CG1 4.1Å; W79-I81 HydrophobicContact CZ3-CD1 3.94Å; W79-I81 HydrophobicContact CZ3-CG1 4.23Å; W79-Y99 HydrophobicContact CZ2-CD1 4.45Å; W79-Y99 AromaticContact CZ2-CD2 3.91Å; W79-Y99 HydrophobicContact CZ2-CD2 3.91Å; W79-Y99 AromaticContact CZ2-CG 3.77Å; W79-Y99 HydrophobicContact CZ2-CG 3.77Å; W79-Y99 AromaticContact NE1-CD2 3.68Å; W79-G101 WeakPolarHBondContact CA-O 3.2Å; W79-I124 WeakPolarHBondContact O-CA 3.29Å; W79-D125 HydrophobicContact CE3-CB 4.25Å; W79-D125 PolarHBondContact N-O 3.21Å; W79-D125 PolarHBondContact O-N 2.93Å
80F85.6Confident77.6Confident4 Ų439.1 Ų39.12%0.01821%0.211CC..EExtended strand (participates in β ladder)trans-116.8141.3-171.8-56.8-88.1000112.7L69 Y70 S78 Y99 F100 L122 V123 I124L69-F80 HydrophobicContact CD1-CE1 4.13Å; L69-F80 HydrophobicContact CD1-CZ 4.44Å; L69-F80 HydrophobicContact CD2-CD1 4.04Å; L69-F80 HydrophobicContact CD2-CE1 3.88Å; L69-F80 HydrophobicContact CD2-CE2 4.4Å; L69-F80 HydrophobicContact CD2-CG 4.38Å; L69-F80 HydrophobicContact CD2-CZ 4.08Å; L69-F80 HydrophobicContact CG-CE1 4.19Å; L69-F80 HydrophobicContact CG-CZ 4.16Å; Y70-F80 HydrophobicContact CD1-CD2 4.39Å; Y70-F80 AromaticContact CD1-CE2 3.57Å; Y70-F80 HydrophobicContact CD1-CE2 3.57Å; Y70-F80 HydrophobicContact CD1-CZ 4.06Å; Y70-F80 AromaticContact CE1-CD2 3.9Å; Y70-F80 HydrophobicContact CE1-CD2 3.9Å; Y70-F80 AromaticContact CE1-CE2 3.51Å; Y70-F80 HydrophobicContact CE1-CE2 3.51Å; Y70-F80 HydrophobicContact CE1-CZ 4.39Å; S78-F80 WeakPolarHBondContact OG-CZ 3.16Å; F80-Y99 CarbonylContact O-C 3.51Å; F80-Y99 VanDerWaalsContact O-CA 3.24Å; F80-Y99 WeakPolarHBondContact O-CA 3.41Å; F80-Y99 WeakPolarHBondContact O-CB 3.15Å; F80-F100 HydrophobicContact CB-CD1 4.39Å; F80-F100 HydrophobicContact CB-CD2 3.75Å; F80-F100 HydrophobicContact CB-CE1 4.09Å; F80-F100 HydrophobicContact CB-CE2 3.38Å; F80-F100 HydrophobicContact CB-CG 4.23Å; F80-F100 HydrophobicContact CB-CZ 3.58Å; F80-F100 HydrophobicContact CD1-CE2 4.31Å; F80-F100 AromaticContact CD2-CD2 3.86Å; F80-F100 HydrophobicContact CD2-CD2 3.86Å; F80-F100 AromaticContact CD2-CE2 3.56Å; F80-F100 HydrophobicContact CD2-CE2 3.56Å; F80-F100 HydrophobicContact CD2-CZ 4.5Å; F80-F100 HydrophobicContact CE2-CE2 4.43Å; F80-F100 HydrophobicContact CG-CD2 4.07Å; F80-F100 AromaticContact CG-CE2 3.49Å; F80-F100 HydrophobicContact CG-CE2 3.49Å; F80-F100 VanDerWaalsContact CG-CE2 3.49Å; F80-F100 HydrophobicContact CG-CZ 4Å; F80-F100 PolarHBondContact N-O 2.89Å; F80-F100 PolarHBondContact O-N 3.47Å; F80-L122 HydrophobicContact CD1-CD1 3.89Å; F80-L122 HydrophobicContact CE1-CD1 4.36Å; F80-V123 CarbonylContact C-O 3.51Å; F80-V123 VanDerWaalsContact CA-O 3.31Å; F80-V123 WeakPolarHBondContact CA-O 3.13Å; F80-I124 HydrophobicContact CD1-CD1 4.15Å; F80-I124 HydrophobicContact CD1-CG1 3.82Å; F80-I124 HydrophobicContact CE1-CD1 3.74Å; F80-I124 HydrophobicContact CE1-CG1 3.9Å; F80-I124 HydrophobicContact CE1-CG2 4.28Å
81I84.5Confident76.2Confident3 Ų341.2 Ų41.22%0.01523%0.228CC..EExtended strand (participates in β ladder)trans-124130.8168.2-46.9170000107.7L31 I34 L37 W79 L122 V123L31-I81 HydrophobicContact CD2-CD1 3.91Å; I34-I81 HydrophobicContact CD1-CG2 4.1Å; L37-I81 HydrophobicContact CD1-CD1 4.24Å; W79-I81 HydrophobicContact CH2-CD1 3.84Å; W79-I81 HydrophobicContact CH2-CG1 4Å; W79-I81 HydrophobicContact CZ2-CD1 4.44Å; W79-I81 HydrophobicContact CZ2-CG1 4.1Å; W79-I81 HydrophobicContact CZ3-CD1 3.94Å; W79-I81 HydrophobicContact CZ3-CG1 4.23Å; I81-L122 WeakPolarHBondContact O-CA 3.25Å; I81-V123 HydrophobicContact CB-CB 4.01Å; I81-V123 HydrophobicContact CB-CG2 4.19Å; I81-V123 HydrophobicContact CD1-CB 4.41Å; I81-V123 HydrophobicContact CG1-CB 4.44Å; I81-V123 PolarHBondContact N-O 3.09Å; I81-V123 PolarHBondContact O-N 2.7Å
82L82.7Confident74.9Confident0 Ų037.5 Ų37.50%021%0.212CC..EExtended strand (participates in β ladder)trans-92.9110.8-173.6-175.153.1000110.3S84 V87 F94 L95 R97 S98 F100 L122L82-S84 WeakPolarHBondContact CD1-O 3.48Å; L82-V87 HydrophobicContact CD1-CG2 4.1Å; L82-V87 HydrophobicContact CD2-CB 4.46Å; L82-V87 HydrophobicContact CD2-CG2 4.05Å; L82-F94 HydrophobicContact CD2-CB 4.2Å; L82-F94 VanDerWaalsContact CD2-O 3.24Å; L82-F94 WeakPolarHBondContact CD2-O 3.35Å; L82-L95 WeakPolarHBondContact CD2-O 3.45Å; L82-R97 PolarHBondContact O-N 2.96Å; L82-S98 PolarHBondContact N-O 3Å; L82-F100 HydrophobicContact CB-CE1 4.25Å; L82-F100 HydrophobicContact CD2-CE1 4.49Å; L82-L122 HydrophobicContact CB-CD2 4.4Å; L82-L122 HydrophobicContact CD1-CD2 3.56Å
83I81.8Confident74.7Confident18 Ų1838 Ų389%0.09221%0.206CC..EExtended strand (participates in β ladder)trans-82.1-47.4178.9-48.2169.8000110F8 I9 L12 Y60 D121 V123F8-I83 HydrophobicContact CD1-CD1 4.31Å; F8-I83 HydrophobicContact CE1-CD1 3.83Å; F8-I83 HydrophobicContact CE1-CG1 4.21Å; I9-I83 HydrophobicContact CG1-CD1 4.37Å; L12-I83 HydrophobicContact CD1-CD1 4.33Å; Y60-I83 HydrophobicContact CD2-CD1 4.16Å; I83-D121 HydrophobicContact CB-CB 4.07Å; I83-D121 WeakPolarHBondContact CB-O 3.41Å; I83-D121 HydrophobicContact CD1-CB 4.36Å; I83-D121 PolarHBondContact N-O 3.21Å; I83-V123 HydrophobicContact CD1-CG2 3.76Å; I83-V123 HydrophobicContact CG1-CG2 3.73Å
84S79.8Confident74.8Confident26 Ų2638.3 Ų38.318%0.18219%0.194CC..EExtended strand (participates in β ladder)trans-150161.9176.7770000111.6M1 L82 S120 D121M1-S84 WeakPolarHBondContact CE-OG 3.48Å; L82-S84 WeakPolarHBondContact CD1-O 3.48Å; S84-S120 CarbonylContact O-C 3.54Å; S84-S120 WeakPolarHBondContact O-CA 3.3Å; S84-S120 WeakPolarHBondContact O-CB 3.21Å; S84-D121 PolarHBondContact O-N 3.14Å; S84-D121 PolarHBondContact OG-OD2 3.04Å
85G78.9Confident74.7Confident9 Ų937.6 Ų37.69%0.09319%0.192CC..SBendtrans81.2-170.5-173.700000112.5P96 E118 S120G85-P96 VanDerWaalsContact O-CD 3.27Å; G85-P96 WeakPolarHBondContact O-CD 3.25Å; G85-P96 WeakPolarHBondContact O-CG 3.48Å; G85-E118 WeakPolarHBondContact CA-OE1 3.39Å; G85-S120 WeakPolarHBondContact CA-OG 3.35Å
86S77.9Confident74.8Confident9 Ų932.9 Ų32.96%0.06318%0.183CC..  trans-140145.3-172.653.80000112.4F94 L117 E118 S120S86-F94 WeakPolarHBondContact CA-O 3.45Å; S86-L117 PolarHBondContact O-N 3.3Å; S86-E118 VanDerWaalsContact CB-OE1 3.29Å; S86-E118 WeakPolarHBondContact CB-OE1 3.35Å; S86-E118 PolarHBondContact N-OE1 3.48Å; S86-E118 VanDerWaalsContact N-OE1 3.12Å; S86-E118 PolarHBondContact OG-OE1 3.34Å; S86-S120 PolarHBondContact N-OG 2.96Å; S86-S120 VanDerWaalsContact N-OG 3.16Å; S86-S120 PolarHBondContact O-OG 2.82Å
87V78.4Confident74.6Confident0 Ų037.9 Ų37.90%020%0.197CC..EExtended strand (participates in β ladder)trans-133.8121.1-173.3-177.60000109.7L82 I89 F94 F100 C114 L115 V116L82-V87 HydrophobicContact CD1-CG2 4.1Å; L82-V87 HydrophobicContact CD2-CB 4.46Å; L82-V87 HydrophobicContact CD2-CG2 4.05Å; V87-I89 HydrophobicContact CG1-CG1 4.21Å; V87-F94 HydrophobicContact CB-CB 4.36Å; V87-F94 PolarHBondContact N-O 3.49Å; V87-F94 WeakPolarHBondContact O-CB 3.41Å; V87-F94 PolarHBondContact O-N 3.3Å; V87-F100 HydrophobicContact CB-CE1 4.13Å; V87-F100 HydrophobicContact CB-CZ 4.33Å; V87-F100 HydrophobicContact CG1-CE1 4.24Å; V87-F100 HydrophobicContact CG1-CE2 4.44Å; V87-F100 HydrophobicContact CG1-CZ 4.03Å; V87-F100 HydrophobicContact CG2-CE1 3.98Å; V87-F100 HydrophobicContact CG2-CZ 4.04Å; V87-C114 WeakPolarHBondContact CG1-SG 3.4Å; V87-L115 CarbonylContact C-O 3.58Å; V87-L115 WeakPolarHBondContact CA-O 3.31Å; V87-V116 HydrophobicContact CG2-CG2 4.22Å
88L76.2Confident74.5Confident56 Ų5635.9 Ų35.929%0.29319%0.189SC..EExtended strand (participates in β ladder)trans-89.6121.2174.4-179.867.3000109.8L115 L117L88-L115 PolarHBondContact N-O 3.01Å; L88-L115 PolarHBondContact O-N 3.37Å; L88-L117 HydrophobicContact CB-CD1 4.15Å; L88-L117 HydrophobicContact CB-CD2 3.77Å; L88-L117 HydrophobicContact CB-CG 3.98Å; L88-L117 HydrophobicContact CD2-CD2 4.35Å
89I75.4Confident74.5Confident15 Ų1539.5 Ų39.58%0.07720%0.203CC..EExtended strand (participates in β ladder)trans-116.3113.5170-56.3179.5000107V87 S91 S92 F94 F100 N112 C114V87-I89 HydrophobicContact CG1-CG1 4.21Å; I89-S91 VanDerWaalsContact C-N 3.26Å; I89-S91 PolarHBondContact O-N 2.67Å; I89-S92 PolarHBondContact N-O 3.04Å; I89-S92 PolarHBondContact O-N 3.46Å; I89-F94 HydrophobicContact CB-CD2 4.2Å; I89-F94 HydrophobicContact CB-CE2 3.91Å; I89-F94 HydrophobicContact CD1-CD2 3.86Å; I89-F94 HydrophobicContact CD1-CE2 3.8Å; I89-F94 HydrophobicContact CD1-CZ 4.36Å; I89-F94 HydrophobicContact CG1-CD2 3.96Å; I89-F94 HydrophobicContact CG1-CE2 4.04Å; I89-F100 HydrophobicContact CD1-CB 3.65Å; I89-F100 HydrophobicContact CD1-CD2 3.74Å; I89-F100 HydrophobicContact CD1-CG 3.75Å; I89-N112 HydrophobicContact CG2-CB 3.54Å; I89-C114 HydrophobicContact CG1-CB 4.13Å
90E70.5Confident74.3Confident87 Ų8738.8 Ų38.841%0.40720%0.2SC..THydrogen-bonded Turntrans57.7-68.4-178.4-178.4-172.6-179.800116N112 R399E90-N112 HydrophobicContact CB-CB 4.31Å; E90-N112 WeakPolarHBondContact CB-ND2 3.41Å; E90-N112 PolarHBondContact OE2-ND2 2.82Å; E90-R399 VanDerWaalsContact CD-CD 3.45Å; E90-R399 VanDerWaalsContact OE1-CD 3.24Å; E90-R399 WeakPolarHBondContact OE1-CD 3.26Å; E90-R399 IonicContact OE1-CZ 3.14Å; E90-R399 IonicContact OE1-NE 2.73Å; E90-R399 IonicContact OE1-NH1 2.67Å; E90-R399 PolarHBondContact OE1-NH1 2.85Å; E90-R399 WeakPolarHBondContact OE2-CD 3.48Å
91S55.9Low73.5Confident61 Ų6139.5 Ų39.543%0.42721%0.209SC..THydrogen-bonded Turntrans-146.9-3176.6-69.40000113.4I89 R410I89-S91 VanDerWaalsContact C-N 3.26Å; I89-S91 PolarHBondContact O-N 2.67Å; S91-R410 PolarHBondContact OG-NH2 2.9Å
92S53.3Low72.5Confident12 Ų1242 Ų428%0.08422%0.224CC..EExtended strand (participates in β ladder)trans-105.7133-179.2-73.30000111I89 D405I89-S92 PolarHBondContact N-O 3.04Å; I89-S92 PolarHBondContact O-N 3.46Å; S92-D405 WeakPolarHBondContact CA-OD1 3.29Å; S92-D405 WeakPolarHBondContact CB-OD1 3.4Å; S92-D405 VanDerWaalsContact OG-CG 3.31Å; S92-D405 PolarHBondContact OG-OD1 3.42Å
93M72.1Confident71Confident63 Ų6347 Ų4731%0.3124%0.243SC..EExtended strand (participates in β ladder)trans-99.3108.5-179.6-177.8174.961.900110.4L95 L117 P342M93-L95 HydrophobicContact CE-CD2 4.06Å; M93-L95 HydrophobicContact CE-CG 4.49Å; M93-L95 HydrophobicContact CG-CD2 4.42Å; M93-L95 HydrophobicContact SD-CD2 4.42Å; M93-L117 HydrophobicContact CG-CD1 4.15Å; M93-L117 HydrophobicContact SD-CD1 3.83Å; M93-P342 HydrophobicContact CE-CB 4.04Å; M93-P342 HydrophobicContact CE-CG 4.46Å
94F71.8Confident69.2Low57 Ų5751 Ų5125%0.2527%0.268CS..EExtended strand (participates in β ladder)trans-76.5128.5174-70.5-100.1000109.2L82 S86 V87 I89 F100L82-F94 HydrophobicContact CD2-CB 4.2Å; L82-F94 VanDerWaalsContact CD2-O 3.24Å; L82-F94 WeakPolarHBondContact CD2-O 3.35Å; S86-F94 WeakPolarHBondContact CA-O 3.45Å; V87-F94 HydrophobicContact CB-CB 4.36Å; V87-F94 PolarHBondContact N-O 3.49Å; V87-F94 WeakPolarHBondContact O-CB 3.41Å; V87-F94 PolarHBondContact O-N 3.3Å; I89-F94 HydrophobicContact CB-CD2 4.2Å; I89-F94 HydrophobicContact CB-CE2 3.91Å; I89-F94 HydrophobicContact CD1-CD2 3.86Å; I89-F94 HydrophobicContact CD1-CE2 3.8Å; I89-F94 HydrophobicContact CD1-CZ 4.36Å; I89-F94 HydrophobicContact CG1-CD2 3.96Å; I89-F94 HydrophobicContact CG1-CE2 4.04Å; F94-F100 HydrophobicContact CB-CD1 4.18Å; F94-F100 HydrophobicContact CD1-CB 3.84Å; F94-F100 HydrophobicContact CD1-CD1 4.19Å; F94-F100 HydrophobicContact CD1-CG 4.46Å; F94-F100 HydrophobicContact CE1-CB 3.85Å; F94-F100 HydrophobicContact CG-CB 4.33Å; F94-F100 HydrophobicContact CG-CD1 4.22Å; F94-F100 HydrophobicContact CZ-CB 4.36Å
95L74Confident67.4Low75 Ų7553.3 Ų53.339%0.39328%0.279SS..  trans-110.8167.8-176.7-73.4177.7000111.5L82 M93 S98 P342L82-L95 WeakPolarHBondContact CD2-O 3.45Å; M93-L95 HydrophobicContact CE-CD2 4.06Å; M93-L95 HydrophobicContact CE-CG 4.49Å; M93-L95 HydrophobicContact CG-CD2 4.42Å; M93-L95 HydrophobicContact SD-CD2 4.42Å; L95-S98 PolarHBondContact N-OG 2.93Å; L95-S98 WeakPolarHBondContact O-CB 3.29Å; L95-S98 PolarHBondContact O-N 3.42Å; L95-S98 VanDerWaalsContact O-N 3.08Å; L95-S98 PolarHBondContact O-OG 3.49Å; L95-P342 HydrophobicContact CD1-CG 4.28Å
96P72.3Confident65.8Low67 Ų6756.7 Ų56.744%0.43531%0.314SS..THydrogen-bonded Turntrans-50.1144.2177.2-30.439.5000113.1G85 S98G85-P96 VanDerWaalsContact O-CD 3.27Å; G85-P96 WeakPolarHBondContact O-CD 3.25Å; G85-P96 WeakPolarHBondContact O-CG 3.48Å; P96-S98 PolarHBondContact O-N 2.83Å
97R68.1Low64.7Low138 Ų13859.6 Ų59.652%0.52133%0.329SS..THydrogen-bonded Turntrans69.26.4-171.7-56.4-178.3177.2175.8-1.1115.6I34 L82I34-R97 HydrophobicContact CG1-CG 4.45Å; I34-R97 HydrophobicContact CG2-CB 4.15Å; I34-R97 WeakPolarHBondContact CG2-O 3.5Å; L82-R97 PolarHBondContact O-N 2.96Å
98S68.2Low63.9Low30 Ų3066.3 Ų66.321%0.2136%0.358CS..  trans-88171.5165.771.90000112.9L82 L95 P96L82-S98 PolarHBondContact N-O 3Å; L95-S98 PolarHBondContact N-OG 2.93Å; L95-S98 WeakPolarHBondContact O-CB 3.29Å; L95-S98 PolarHBondContact O-N 3.42Å; L95-S98 VanDerWaalsContact O-N 3.08Å; L95-S98 PolarHBondContact O-OG 3.49Å; P96-S98 PolarHBondContact O-N 2.83Å
99Y76.2Confident63.6Low79 Ų7968.6 Ų68.631%0.3136%0.364SS..EExtended strand (participates in β ladder)trans-137.8151174.860.1-98.2000110.7G36 L37 W79 F80 T102G36-Y99 WeakPolarHBondContact O-CE1 3.15Å; L37-Y99 HydrophobicContact CD2-CD1 3.7Å; L37-Y99 HydrophobicContact CD2-CE1 3.99Å; L37-Y99 HydrophobicContact CD2-CG 4.43Å; W79-Y99 HydrophobicContact CZ2-CD1 4.45Å; W79-Y99 AromaticContact CZ2-CD2 3.91Å; W79-Y99 HydrophobicContact CZ2-CD2 3.91Å; W79-Y99 AromaticContact CZ2-CG 3.77Å; W79-Y99 HydrophobicContact CZ2-CG 3.77Å; W79-Y99 AromaticContact NE1-CD2 3.68Å; F80-Y99 CarbonylContact O-C 3.51Å; F80-Y99 VanDerWaalsContact O-CA 3.24Å; F80-Y99 WeakPolarHBondContact O-CA 3.41Å; F80-Y99 WeakPolarHBondContact O-CB 3.15Å; Y99-T102 HydrophobicContact CD2-CG2 3.72Å; Y99-T102 HydrophobicContact CE2-CG2 3.78Å
100F76.9Confident63.4Low5 Ų568.3 Ų68.32%0.02236%0.362CS..EExtended strand (participates in β ladder)trans-153.4163.9-175.360.9-99.7000113.2L69 Y70 F80 L82 V87 I89 F94 L122L69-F100 HydrophobicContact CD2-CE2 3.65Å; L69-F100 HydrophobicContact CD2-CZ 3.85Å; Y70-F100 HydrophobicContact CE1-CD2 4.17Å; Y70-F100 HydrophobicContact CE1-CE2 4.15Å; F80-F100 HydrophobicContact CB-CD1 4.39Å; F80-F100 HydrophobicContact CB-CD2 3.75Å; F80-F100 HydrophobicContact CB-CE1 4.09Å; F80-F100 HydrophobicContact CB-CE2 3.38Å; F80-F100 HydrophobicContact CB-CG 4.23Å; F80-F100 HydrophobicContact CB-CZ 3.58Å; F80-F100 HydrophobicContact CD1-CE2 4.31Å; F80-F100 AromaticContact CD2-CD2 3.86Å; F80-F100 HydrophobicContact CD2-CD2 3.86Å; F80-F100 AromaticContact CD2-CE2 3.56Å; F80-F100 HydrophobicContact CD2-CE2 3.56Å; F80-F100 HydrophobicContact CD2-CZ 4.5Å; F80-F100 HydrophobicContact CE2-CE2 4.43Å; F80-F100 HydrophobicContact CG-CD2 4.07Å; F80-F100 AromaticContact CG-CE2 3.49Å; F80-F100 HydrophobicContact CG-CE2 3.49Å; F80-F100 VanDerWaalsContact CG-CE2 3.49Å; F80-F100 HydrophobicContact CG-CZ 4Å; F80-F100 PolarHBondContact N-O 2.89Å; F80-F100 PolarHBondContact O-N 3.47Å; L82-F100 HydrophobicContact CB-CE1 4.25Å; L82-F100 HydrophobicContact CD2-CE1 4.49Å; V87-F100 HydrophobicContact CB-CE1 4.13Å; V87-F100 HydrophobicContact CB-CZ 4.33Å; V87-F100 HydrophobicContact CG1-CE1 4.24Å; V87-F100 HydrophobicContact CG1-CE2 4.44Å; V87-F100 HydrophobicContact CG1-CZ 4.03Å; V87-F100 HydrophobicContact CG2-CE1 3.98Å; V87-F100 HydrophobicContact CG2-CZ 4.04Å; I89-F100 HydrophobicContact CD1-CB 3.65Å; I89-F100 HydrophobicContact CD1-CD2 3.74Å; I89-F100 HydrophobicContact CD1-CG 3.75Å; F94-F100 HydrophobicContact CB-CD1 4.18Å; F94-F100 HydrophobicContact CD1-CB 3.84Å; F94-F100 HydrophobicContact CD1-CD1 4.19Å; F94-F100 HydrophobicContact CD1-CG 4.46Å; F94-F100 HydrophobicContact CE1-CB 3.85Å; F94-F100 HydrophobicContact CG-CB 4.33Å; F94-F100 HydrophobicContact CG-CD1 4.22Å; F94-F100 HydrophobicContact CZ-CB 4.36Å; F100-L122 HydrophobicContact CE1-CD2 4.12Å; F100-L122 HydrophobicContact CZ-CD1 4.39Å; F100-L122 HydrophobicContact CZ-CD2 3.88Å
101G69.3Low62.9Low19 Ų1967.4 Ų67.420%0.19635%0.354CS..SBendtrans67.249.1-174.400000112.2W79W79-G101 WeakPolarHBondContact CA-O 3.2Å
102T61.8Low63.9Low57 Ų5766.6 Ų66.635%0.3535%0.345SS..  trans-68.3155.9-16548.50000115.3Y99 T104Y99-T102 HydrophobicContact CD2-CG2 3.72Å; Y99-T102 HydrophobicContact CE2-CG2 3.78Å; T102-T104 WeakPolarHBondContact CB-OG1 3.31Å; T102-T104 PolarHBondContact O-N 2.81Å; T102-T104 PolarHBondContact OG1-OG1 3.23Å
103R52.3Low65.2Low104 Ų10469.7 Ų69.739%0.39236%0.361SS..SBendtrans-66.8-11.8169.3-68.3170.7162.9-134.3-0.7113.8N105 D125 L127 Y130R103-N105 PolarHBondContact O-N 2.72Å; R103-D125 IonicContact CZ-OD2 2.82Å; R103-D125 IonicContact NE-OD2 3.67Å; R103-D125 PolarHBondContact NE-OD2 3.37Å; R103-D125 IonicContact NH2-OD2 2.96Å; R103-D125 PolarHBondContact NH2-OD2 3.25Å; R103-L127 HydrophobicContact CG-CD1 4.43Å; R103-Y130 PolarHBondContact NH2-OH 3.33Å
104T44.7Very low65.7Low101 Ų10166.7 Ų66.762%0.6235%0.346SS*.  trans-99.857.1-161.950.80000113.1T102T102-T104 WeakPolarHBondContact CB-OG1 3.31Å; T102-T104 PolarHBondContact O-N 2.81Å; T102-T104 PolarHBondContact OG1-OG1 3.23Å
105N40.7Very low66.1Low75 Ų7566.9 Ų66.940%0.40135%0.349SS..SBendtrans-160.5145.6158.2-104.2-58.7000108.5R103 N107 R111R103-N105 PolarHBondContact O-N 2.72Å; N105-N107 PolarHBondContact O-N 2.88Å; N105-R111 PolarHBondContact ND2-NH1 2.67Å; N105-R111 VanDerWaalsContact ND2-NH1 3.13Å
106G46.6Very low66.5Low81 Ų8163.3 Ų63.384%0.83533%0.331SS*.SBendtrans-7220.7-177.200000115.3
107N54.5Low66.6Low69 Ų6963.3 Ų63.337%0.36933%0.327SS..  trans-112119.4-174.7-170.4-10.4000109.7N105 Y109N105-N107 PolarHBondContact O-N 2.88Å; N107-Y109 PolarHBondContact O-N 3.02Å; N107-Y109 VanDerWaalsContact O-N 3.15Å; N107-Y109 PolarHBondContact OD1-N 3.03Å
108F62.1Low67Low142 Ų14261.1 Ų61.162%0.62332%0.322SS*.  trans-75.96.1-176-63.3-83000114W75 C76W75-F108 CarbonylContact C-O 3.48Å; W75-F108 VanDerWaalsContact CA-O 3.31Å; W75-F108 WeakPolarHBondContact CA-O 3.33Å; W75-F108 HydrophobicContact CE3-CB 4.21Å; W75-F108 HydrophobicContact CZ3-CB 4.29Å; C76-F108 PolarHBondContact N-O 3.05Å
109Y68.7Low67.5Low104 Ų10463 Ų6341%0.40833%0.334SS..BIsolated β-bridgetrans-122.1141.8-174.2-64.7-87.6000113.4G73 E74 W75 C76 N107 R111G73-Y109 WeakPolarHBondContact O-CD1 3.31Å; E74-Y109 CarbonylContact O-C 3.41Å; E74-Y109 VanDerWaalsContact O-CA 3.25Å; E74-Y109 WeakPolarHBondContact O-CA 3.44Å; W75-Y109 AromaticContact CD1-CE1 3.52Å; W75-Y109 HydrophobicContact CD2-CE1 4.4Å; W75-Y109 AromaticContact CE2-CE1 3.87Å; W75-Y109 AromaticContact CE2-CZ 3.8Å; W75-Y109 HydrophobicContact CG-CD1 4.5Å; W75-Y109 HydrophobicContact CG-CE1 4.22Å; W75-Y109 WeakPolarHBondContact CZ2-OH 3.22Å; W75-Y109 AromaticContact NE1-CE1 3.27Å; W75-Y109 VanDerWaalsContact NE1-CE1 3.27Å; W75-Y109 AromaticContact NE1-CZ 3.63Å; W75-Y109 PolarHBondContact NE1-OH 3.23Å; C76-Y109 PolarHBondContact SG-O 2.96Å; N107-Y109 PolarHBondContact O-N 3.02Å; N107-Y109 VanDerWaalsContact O-N 3.15Å; N107-Y109 PolarHBondContact OD1-N 3.03Å; Y109-R111 PolarHBondContact O-N 2.92Å
110R71.2Confident67.9Low9 Ų959.2 Ų59.23%0.03432%0.319CS..  trans-62.3122.7171.4-57.3-63.7-177.2-179.34108.8Y70 H71 G73 E74 W75 C76 D77 S78Y70-R110 HydrophobicContact CD2-CB 3.78Å; Y70-R110 HydrophobicContact CD2-CG 3.61Å; Y70-R110 HydrophobicContact CE2-CB 4.1Å; Y70-R110 HydrophobicContact CE2-CG 4.16Å; Y70-R110 HydrophobicContact CG-CG 4.01Å; H71-R110 VanDerWaalsContact O-CB 3.25Å; H71-R110 WeakPolarHBondContact O-CB 3.49Å; G73-R110 PolarHBondContact N-O 3.08Å; E74-R110 HydrophobicContact CB-CG 4.09Å; E74-R110 WeakPolarHBondContact O-CG 3.26Å; E74-R110 PolarHBondContact O-N 3.39Å; W75-R110 PolarHBondContact O-NE 2.94Å; C76-R110 PolarHBondContact SG-N 3.18Å; D77-R110 IonicContact OD1-CZ 3.75Å; D77-R110 IonicContact OD1-NH2 3.8Å; D77-R110 PolarHBondContact OD1-NH2 3.35Å; S78-R110 VanDerWaalsContact O-CZ 3.23Å; S78-R110 PolarHBondContact O-NH1 2.67Å; S78-R110 PolarHBondContact O-NH2 3.03Å; S78-R110 PolarHBondContact OG-NH2 2.73Å
111R61.3Low68.3Low67 Ų6759 Ų5925%0.25332%0.318SS..  trans-74-42.7179.3-72.7175.9167.3149.4-2.6112.9A72 N105 Y109 D396 T397 I398A72-R111 WeakPolarHBondContact CB-O 3.33Å; N105-R111 PolarHBondContact ND2-NH1 2.67Å; N105-R111 VanDerWaalsContact ND2-NH1 3.13Å; Y109-R111 PolarHBondContact O-N 2.92Å; R111-D396 PolarHBondContact NH2-O 3.16Å; R111-T397 HydrophobicContact CG-CG2 4Å; R111-I398 VanDerWaalsContact CZ-N 3.32Å; R111-I398 PolarHBondContact NH1-O 3.47Å
112N75.6Confident69.1Low44 Ų4458 Ų5824%0.23531%0.309CS..SBendtrans-120.4152.4-169.3-66.4-6.2000112.2Y70 I89 E90Y70-N112 VanDerWaalsContact CE2-O 3.29Å; Y70-N112 WeakPolarHBondContact CE2-O 3.39Å; I89-N112 HydrophobicContact CG2-CB 3.54Å; E90-N112 HydrophobicContact CB-CB 4.31Å; E90-N112 WeakPolarHBondContact CB-ND2 3.41Å; E90-N112 PolarHBondContact OE2-ND2 2.82Å
113D80.7Confident70.2Confident77 Ų7755.4 Ų55.441%0.41229%0.292SS..  trans-65139.8162.1-81.6-19.8000109.8L68 H71 A72L68-D113 HydrophobicContact CD1-CB 4.11Å; H71-D113 WeakPolarHBondContact CA-OD1 3.34Å; H71-D113 IonicContact CG-OD1 3.82Å; H71-D113 IonicContact ND1-OD1 3.15Å; H71-D113 PolarHBondContact ND1-OD1 3.43Å; A72-D113 PolarHBondContact N-OD1 3.09Å
114C82.7Confident71.6Confident0 Ų050.6 Ų50.60%027%0.274CS..EExtended strand (participates in β ladder)trans-122.6107.7-176.5177.90000110.2L68 L69 Y70 V87 I89L68-C114 CarbonylContact C-O 3.56Å; L68-C114 WeakPolarHBondContact CA-O 3.2Å; L69-C114 HydrophobicContact CB-CB 4.45Å; L69-C114 PolarHBondContact N-O 3.47Å; Y70-C114 HydrophobicContact CD1-CB 3.98Å; Y70-C114 HydrophobicContact CD2-CB 3.69Å; Y70-C114 HydrophobicContact CE1-CB 3.72Å; Y70-C114 HydrophobicContact CE2-CB 3.41Å; Y70-C114 VanDerWaalsContact CE2-CB 3.41Å; Y70-C114 HydrophobicContact CG-CB 3.97Å; Y70-C114 VanDerWaalsContact CZ-CB 3.43Å; Y70-C114 PolarHBondContact O-N 3.38Å; Y70-C114 VanDerWaalsContact O-N 3.07Å; V87-C114 WeakPolarHBondContact CG1-SG 3.4Å; I89-C114 HydrophobicContact CG1-CB 4.13Å
115L81Confident73.1Confident61 Ų6145.9 Ų45.932%0.31925%0.245SC..EExtended strand (participates in β ladder)trans-105.4121.1-175.3178.364.5000110.9V87 L88 L117V87-L115 CarbonylContact C-O 3.58Å; V87-L115 WeakPolarHBondContact CA-O 3.31Å; L88-L115 PolarHBondContact N-O 3.01Å; L88-L115 PolarHBondContact O-N 3.37Å; L115-L117 HydrophobicContact CD2-CD2 4.22Å; L115-L117 HydrophobicContact CG-CD2 4.38Å; L115-L117 PolarHBondContact O-N 2.92Å
116V82.3Confident74.4Confident0 Ų045 Ų450%024%0.237CC..EExtended strand (participates in β ladder)trans-77.9116.7172.1179.60000108.7V63 P64 G65 D66 M67 L69 V87 E118 S120V63-V116 HydrophobicContact CB-CG1 4.47Å; V63-V116 HydrophobicContact CB-CG2 4.26Å; V63-V116 HydrophobicContact CG1-CB 4.3Å; V63-V116 HydrophobicContact CG1-CG1 4.4Å; V63-V116 HydrophobicContact CG1-CG2 3.8Å; P64-V116 WeakPolarHBondContact O-CG1 3.45Å; G65-V116 CarbonylContact C-O 3.56Å; D66-V116 PolarHBondContact N-O 2.95Å; M67-V116 WeakPolarHBondContact O-CB 3.37Å; M67-V116 PolarHBondContact O-N 2.71Å; L69-V116 HydrophobicContact CB-CG2 4.1Å; V87-V116 HydrophobicContact CG2-CG2 4.22Å; V116-E118 WeakPolarHBondContact CG1-O 3.13Å; V116-S120 WeakPolarHBondContact CG1-OG 3.4Å
117L73.4Confident75.1Confident67 Ų6744.2 Ų44.235%0.35121%0.213SC..  trans-78.1-41.4-174.7-63.1-177.5000111.9S86 L88 M93 L115S86-L117 PolarHBondContact O-N 3.3Å; L88-L117 HydrophobicContact CB-CD1 4.15Å; L88-L117 HydrophobicContact CB-CD2 3.77Å; L88-L117 HydrophobicContact CB-CG 3.98Å; L88-L117 HydrophobicContact CD2-CD2 4.35Å; M93-L117 HydrophobicContact CG-CD1 4.15Å; M93-L117 HydrophobicContact SD-CD1 3.83Å; L115-L117 HydrophobicContact CD2-CD2 4.22Å; L115-L117 HydrophobicContact CG-CD2 4.38Å; L115-L117 PolarHBondContact O-N 2.92Å
118E76.4Confident75.1Confident92 Ų9247.9 Ų47.943%0.4323%0.233SC..SBendtrans-134.8161.7-178.972.6-170.6128.200110.3G85 S86 V116 S120G85-E118 WeakPolarHBondContact CA-OE1 3.39Å; S86-E118 VanDerWaalsContact CB-OE1 3.29Å; S86-E118 WeakPolarHBondContact CB-OE1 3.35Å; S86-E118 PolarHBondContact N-OE1 3.48Å; S86-E118 VanDerWaalsContact N-OE1 3.12Å; S86-E118 PolarHBondContact OG-OE1 3.34Å; V116-E118 WeakPolarHBondContact CG1-O 3.13Å; E118-S120 WeakPolarHBondContact O-CB 2.95Å; E118-S120 PolarHBondContact O-N 2.7Å; E118-S120 PolarHBondContact O-OG 3.28Å
119P80Confident74.5Confident69 Ų6944 Ų4445%0.44822%0.218SC..  trans-54.3101.6-179.2-26.836.2000113.4V63V63-P119 CarbonylContact O-C 3.56Å; V63-P119 WeakPolarHBondContact O-CA 3.39Å
120S83.2Confident73.5Confident0 Ų043.7 Ų43.70%022%0.217CC..EExtended strand (participates in β ladder)trans-109143.6-165.9-64.50000112.4R62 V63 S84 G85 S86 V116 E118R62-S120 CarbonylContact C-O 3.57Å; R62-S120 WeakPolarHBondContact CA-O 3.42Å; V63-S120 PolarHBondContact N-O 2.82Å; V63-S120 PolarHBondContact O-N 3.43Å; S84-S120 CarbonylContact O-C 3.54Å; S84-S120 WeakPolarHBondContact O-CA 3.3Å; S84-S120 WeakPolarHBondContact O-CB 3.21Å; G85-S120 WeakPolarHBondContact CA-OG 3.35Å; S86-S120 PolarHBondContact N-OG 2.96Å; S86-S120 VanDerWaalsContact N-OG 3.16Å; S86-S120 PolarHBondContact O-OG 2.82Å; V116-S120 WeakPolarHBondContact CG1-OG 3.4Å; E118-S120 WeakPolarHBondContact O-CB 2.95Å; E118-S120 PolarHBondContact O-N 2.7Å; E118-S120 PolarHBondContact O-OG 3.28Å
121D85.7Confident71.5Confident0 Ų048.8 Ų48.80%026%0.255CS..EExtended strand (participates in β ladder)trans-105117.6179.6-72.7-42.1000110.1M1 Y60 R62 I83 S84M1-D121 WeakPolarHBondContact CE-OD2 3.38Å; Y60-D121 HydrophobicContact CE2-CB 3.85Å; Y60-D121 WeakPolarHBondContact CE2-OD1 3.28Å; Y60-D121 PolarHBondContact OH-OD1 3.44Å; R62-D121 WeakPolarHBondContact CB-OD1 3.18Å; R62-D121 WeakPolarHBondContact CG-OD1 3.29Å; R62-D121 IonicContact CZ-OD1 3.78Å; R62-D121 IonicContact CZ-OD2 2.88Å; R62-D121 IonicContact NE-OD1 3.8Å; R62-D121 IonicContact NH1-OD1 3.37Å; R62-D121 PolarHBondContact NH1-OD1 3.14Å; R62-D121 IonicContact NH1-OD2 2.79Å; R62-D121 PolarHBondContact NH1-OD2 2.79Å; I83-D121 HydrophobicContact CB-CB 4.07Å; I83-D121 WeakPolarHBondContact CB-O 3.41Å; I83-D121 HydrophobicContact CD1-CB 4.36Å; I83-D121 PolarHBondContact N-O 3.21Å; S84-D121 PolarHBondContact O-N 3.14Å; S84-D121 PolarHBondContact OG-OD2 3.04Å
122L86Confident70.1Confident0 Ų052.3 Ų52.30%028%0.278CS..EExtended strand (participates in β ladder)trans-115.6139.3-173.8-56177.7000111.8Y60 R61 V63 L69 F80 I81 L82 F100 I124Y60-L122 CarbonylContact C-O 3.55Å; Y60-L122 WeakPolarHBondContact CA-O 3.41Å; R61-L122 PolarHBondContact N-O 3.31Å; R61-L122 WeakPolarHBondContact O-CB 3.39Å; R61-L122 PolarHBondContact O-N 3.29Å; V63-L122 HydrophobicContact CG2-CD1 3.73Å; V63-L122 HydrophobicContact CG2-CG 4.38Å; L69-L122 HydrophobicContact CD1-CD1 4.05Å; L69-L122 HydrophobicContact CD2-CD1 3.57Å; L69-L122 HydrophobicContact CG-CD1 4.48Å; F80-L122 HydrophobicContact CD1-CD1 3.89Å; F80-L122 HydrophobicContact CE1-CD1 4.36Å; I81-L122 WeakPolarHBondContact O-CA 3.25Å; L82-L122 HydrophobicContact CB-CD2 4.4Å; L82-L122 HydrophobicContact CD1-CD2 3.56Å; F100-L122 HydrophobicContact CE1-CD2 4.12Å; F100-L122 HydrophobicContact CZ-CD1 4.39Å; F100-L122 HydrophobicContact CZ-CD2 3.88Å; L122-I124 HydrophobicContact CB-CG1 4.4Å
123V84.6Confident67.9Low2 Ų256.6 Ų56.61%0.01231%0.308CS..EExtended strand (participates in β ladder)trans-88.3135.2156.7-164.50000108.2F8 L12 A58 R59 F80 I81 I83F8-V123 HydrophobicContact CE1-CG2 4.45Å; F8-V123 HydrophobicContact CZ-CG2 4.44Å; L12-V123 HydrophobicContact CD1-CG1 4.2Å; L12-V123 HydrophobicContact CD1-CG2 3.82Å; L12-V123 HydrophobicContact CD2-CG1 4.38Å; A58-V123 HydrophobicContact CB-CG1 3.57Å; R59-V123 CarbonylContact O-C 3.6Å; F80-V123 CarbonylContact C-O 3.51Å; F80-V123 VanDerWaalsContact CA-O 3.31Å; F80-V123 WeakPolarHBondContact CA-O 3.13Å; I81-V123 HydrophobicContact CB-CB 4.01Å; I81-V123 HydrophobicContact CB-CG2 4.19Å; I81-V123 HydrophobicContact CD1-CB 4.41Å; I81-V123 HydrophobicContact CG1-CB 4.44Å; I81-V123 PolarHBondContact N-O 3.09Å; I81-V123 PolarHBondContact O-N 2.7Å; I83-V123 HydrophobicContact CD1-CG2 3.76Å; I83-V123 HydrophobicContact CG1-CG2 3.73Å
124I82.2Confident65.5Low2 Ų259 Ų591%0.0132%0.319CS..EExtended strand (participates in β ladder)trans-124.6118.9-179.9-51.3-174.1000110.1A58 R59 R61 W79 F80 L122 Y126A58-I124 CarbonylContact C-O 3.58Å; A58-I124 WeakPolarHBondContact CA-O 3.29Å; R59-I124 PolarHBondContact N-O 3.46Å; R59-I124 PolarHBondContact O-N 2.87Å; R61-I124 HydrophobicContact CB-CD1 3.55Å; R61-I124 HydrophobicContact CB-CG1 4.25Å; R61-I124 VanDerWaalsContact CD-CD1 3.44Å; R61-I124 HydrophobicContact CG-CD1 4.15Å; W79-I124 WeakPolarHBondContact O-CA 3.29Å; F80-I124 HydrophobicContact CD1-CD1 4.15Å; F80-I124 HydrophobicContact CD1-CG1 3.82Å; F80-I124 HydrophobicContact CE1-CD1 3.74Å; F80-I124 HydrophobicContact CE1-CG1 3.9Å; F80-I124 HydrophobicContact CE1-CG2 4.28Å; L122-I124 HydrophobicContact CB-CG1 4.4Å; I124-Y126 HydrophobicContact CB-CE2 4.17Å; I124-Y126 HydrophobicContact CG2-CD2 3.98Å; I124-Y126 HydrophobicContact CG2-CE1 4.26Å; I124-Y126 HydrophobicContact CG2-CE2 3.56Å
125D76.7Confident62.8Low2 Ų263.5 Ų63.51%0.01135%0.351CS..EExtended strand (participates in β ladder)trans-100.3128.1166.7179.851000109.8S78 W79 R103S78-D125 CarbonylContact C-O 3.5Å; S78-D125 WeakPolarHBondContact CA-O 2.75Å; S78-D125 WeakPolarHBondContact CB-O 3.27Å; W79-D125 HydrophobicContact CE3-CB 4.25Å; W79-D125 PolarHBondContact N-O 3.21Å; W79-D125 PolarHBondContact O-N 2.93Å; R103-D125 IonicContact CZ-OD2 2.82Å; R103-D125 IonicContact NE-OD2 3.67Å; R103-D125 PolarHBondContact NE-OD2 3.37Å; R103-D125 IonicContact NH2-OD2 2.96Å; R103-D125 PolarHBondContact NH2-OD2 3.25Å
126Y68.5Low60.4Low57 Ų5768.9 Ų68.922%0.22437%0.372CS..EExtended strand (participates in β ladder)trans-101.4126.3-177.8-73.2-87.1000110.3R59 I124 D128 N129R59-Y126 HydrophobicContact CG-CE2 4.45Å; I124-Y126 HydrophobicContact CB-CE2 4.17Å; I124-Y126 HydrophobicContact CG2-CD2 3.98Å; I124-Y126 HydrophobicContact CG2-CE1 4.26Å; I124-Y126 HydrophobicContact CG2-CE2 3.56Å; Y126-D128 VanDerWaalsContact C-N 3.31Å; Y126-D128 PolarHBondContact O-N 2.87Å; Y126-N129 PolarHBondContact O-ND2 2.82Å
127L60.5Low57.7Low64 Ų6473 Ų7334%0.33540%0.397SS..G310 helixtrans-63.7-31.7-168.6-85.373.4000113.6D77 R103 N129D77-L127 PolarHBondContact O-N 3.07Å; D77-L127 VanDerWaalsContact O-N 3.07Å; R103-L127 HydrophobicContact CG-CD1 4.43Å; L127-N129 PolarHBondContact O-N 3.3Å
128D54.1Low55.4Low146 Ų14674.6 Ų74.678%0.78141%0.406SS*.G310 helixtrans-67.9-4-169.7-59.8-30.8000116Y126 Y130Y126-D128 VanDerWaalsContact C-N 3.31Å; Y126-D128 PolarHBondContact O-N 2.87Å; D128-Y130 VanDerWaalsContact C-N 3.3Å; D128-Y130 PolarHBondContact O-N 2.95Å
129N49Very low53.1Low61 Ų6175.7 Ų75.733%0.32642%0.419SS..G310 helixtrans-84.28.8-171.4-63.5-83.2000114.9Y57 Y126 L127Y57-N129 HydrophobicContact CD1-CB 4.32Å; Y57-N129 HydrophobicContact CG-CB 4.29Å; Y126-N129 PolarHBondContact O-ND2 2.82Å; L127-N129 PolarHBondContact O-N 3.3Å
130Y47.9Very low50.9Low97 Ų9780.5 Ų80.538%0.3844%0.435SS..  trans-11173.7-170.9-69.5-94.5000113.7A53 Y57 R103 D128 L132A53-Y130 HydrophobicContact CB-CE1 4.26Å; A53-Y130 WeakPolarHBondContact CB-OH 3.33Å; Y57-Y130 HydrophobicContact CD2-CE2 4.44Å; R103-Y130 PolarHBondContact NH2-OH 3.33Å; D128-Y130 VanDerWaalsContact C-N 3.3Å; D128-Y130 PolarHBondContact O-N 2.95Å; Y130-L132 PolarHBondContact O-N 3.05Å
131S30.6Very low48.3Very low117 Ų11788.4 Ų88.482%0.81847%0.465SS*.  trans-8959.3173.969.80000113.2
132L31Very low45.4Very low141 Ų14196.6 Ų96.674%0.73851%0.508SS*.SBendtrans-140.1135.6169.9-76.7178.1000110.9Y130 I134Y130-L132 PolarHBondContact O-N 3.05Å; L132-I134 PolarHBondContact O-N 3.09Å
133P29.5Very low42.6Very low134 Ų134100.4 Ų100.487%0.8754%0.539SS*.  trans-78.785.3179.832.7-34.6000111
134I30.1Very low39.8Very low127 Ų127106.9 Ų106.965%0.65158%0.579SS**  trans-93.1125.1163.9-60.3177.8000107.3L132 F136L132-I134 PolarHBondContact O-N 3.09Å; I134-F136 PolarHBondContact O-N 2.75Å
135S26.7Very low37.1Very low94 Ų94109.3 Ų109.366%0.65760%0.599SS**  trans-70.993.7-178.651.40000111.1T137S135-T137 PolarHBondContact O-N 2.85Å
136F29.2Very low34.8Very low174 Ų174115 Ų11576%0.76364%0.637SS**  trans-73.858.5167.6-94.1-87.8000111.4I134I134-F136 PolarHBondContact O-N 2.75Å
137T26.6Very low32.9Very low86 Ų86123.3 Ų123.353%0.52867%0.669SS.*  trans-136.7135.5172.450.70000109S135S135-T137 PolarHBondContact O-N 2.85Å
138D25.8Very low31.2Very low102 Ų102129.1 Ų129.155%0.54569%0.691SS.*SBendtrans87.5-1.9161.6-47.2-36.9000120.6R141D138-R141 IonicContact OD1-NH1 3.08Å
139T28Very low29.8Very low115 Ų115128.8 Ų128.871%0.70669%0.685SS**SBendtrans-103.1-21.3167.647.60000115.6R141T139-R141 VanDerWaalsContact C-N 3.35Å
140H33.3Very low28.7Very low169 Ų169138 Ų13878%0.78272%0.715SS**SBendtrans-92.613168.8-88-86.5000113.6
141R27.5Very low27.6Very low167 Ų167143.3 Ų143.363%0.6374%0.736SS**  trans-100.7-1.8-177.9-94.2-177.7165.8179.1-6.6115.7D138 T139D138-R141 IonicContact OD1-NH1 3.08Å; T139-R141 VanDerWaalsContact C-N 3.35Å
142L26.1Very low27.3Very low171 Ų171142.4 Ų142.490%0.89573%0.73SS**SBendtrans-91.4-0.4175.9-68.7174.1000113.6
143A25.8Very low27.1Very low80 Ų80142.9 Ų142.966%0.66173%0.732SS**SBendtrans-112.898.3160.300000108.7
144V26.6Very low26.8Very low138 Ų138141.5 Ų141.584%0.83672%0.717SS**  trans57.499.7173.9-168.60000116.4
145A25.2Very low26.7Very low54 Ų54145.1 Ų145.145%0.44672%0.723SS.*  trans-106.3130.2156.300000109.9Y147A145-Y147 PolarHBondContact O-N 3.16Å
146P29.7Very low26.5Very low122 Ų122146.9 Ų146.979%0.79273%0.73SS**  trans-81.3116.3-175.930.7-33.6000112.1
147Y27.7Very low26.9Very low230 Ų230144.4 Ų144.490%0.90273%0.732SS**  trans-127.4119.4165.4-95.3-76.6000111.4A145A145-Y147 PolarHBondContact O-N 3.16Å
148K25.2Very low26.7Very low186 Ų186147 Ų14781%0.80975%0.747SS**  trans-112.4137.9173.3-125.3175.3-174.5173.50109.3
149H25.3Very low26.6Very low140 Ų140145.9 Ų145.965%0.64875%0.747SS**  trans62.194.1172.9-64.4-89.8000118.9Y151H149-Y151 AromaticContact ND1-CD2 3.75Å
150R25.4Very low26.4Very low255 Ų255148.8 Ų148.896%0.96275%0.75SS**  -127.4107.3108.9-82.5-164.6177-171.20.7110.5
151Y23.4Very low26.1Very low207 Ų207148.3 Ų148.381%0.81275%0.754SS**  trans-87.8139.2158.9-87-97.5000108.6H149H149-Y151 AromaticContact ND1-CD2 3.75Å
152S24.7Very low26Very low99 Ų99146.4 Ų146.469%0.69276%0.756SS**  trans179.6104.9150.2170.10000111.9
153L26.7Very low26.1Very low150 Ų150144.8 Ų144.879%0.78575%0.748SS**  trans58.8144.6146.4-79.786.8000119.8
154D24.3Very low26.3Very low105 Ų105146.8 Ų146.856%0.56175%0.748SS**  cis-162.1166.1-13.8-138.35000110.5
155R27.2Very low26.2Very low203 Ų203147 Ų14777%0.76674%0.744SS**  trans57.8105.7150.8-66.9164.7-154.1-108.8-12121.7
156T22.9Very low26.2Very low131 Ų131151.4 Ų151.480%0.80476%0.76SS**  32.9147.5108.358.20000122.2
157P37.4Very low25.9Very low123 Ų123152.4 Ų152.480%0.79976%0.764SS**  trans-98.1172.6-156.941.1-39.8000116.6
158V23.4Very low25.9Very low139 Ų139147.6 Ų147.684%0.84276%0.764SS**  trans-178.8140.8156.6132.20000107.9
159S23.1Very low25.7Very low80 Ų80150 Ų15056%0.55977%0.768SS**  cis-171.5162.2-14.258.90000111.1
160F22.8Very low25.8Very low176 Ų176151.2 Ų151.277%0.77277%0.774SS**  trans59.1133.6163.8-60.6-65.7000117.3
161N27.9Very low25.7Very low159 Ų159146.8 Ų146.885%0.8577%0.768SS**  cis-127.3157.443.5-110.4-7.1000115
162N24.5Very low25.8Very low126 Ų126143.7 Ų143.767%0.67476%0.764SS**  trans-82.5145.5163.1-62.5-20.8000109.7
163N29.9Very low25.9Very low137 Ų137143.6 Ų143.673%0.73376%0.764SS**  -172.3145.1116.9-10841.2000112.2
164D28.9Very low25.8Very low123 Ų123143.9 Ų143.966%0.65877%0.766SS**  trans59.983.4147.3-47.8-28.7000120.6
165N24.6Very low25.9Very low142 Ų142146.5 Ų146.576%0.75978%0.78SS**  47.9148.6114.3-59.4-10.8000123
166D25.3Very low25.7Very low147 Ų147145.4 Ų145.479%0.78678%0.776SS**  trans57.378152.8-59.9-24.6000119.2
167T24.1Very low25.8Very low143 Ų143150.6 Ų150.688%0.87778%0.783SS**  -179.483.1121.525.70000112.5R169T167-R169 PolarHBondContact O-N 2.94Å
168S26.3Very low25.2Very low128 Ų128148.1 Ų148.190%0.89577%0.768SS**  trans-79.982.3173.9-62.80000112.2
169R22.7Very low25.3Very low236 Ų236149 Ų14989%0.89176%0.763SS**  trans-86.887.3154.6-91.2-176.8166.2168.2-4.2108.6T167T167-R169 PolarHBondContact O-N 2.94Å
170E25.7Very low25.5Very low167 Ų167150 Ų15078%0.7877%0.77SS**  trans-83.8121.7161.2-75.3-157.6137.100109.9L172E170-L172 PolarHBondContact O-N 3.46Å
171I23.8Very low25.8Very low162 Ų162145.4 Ų145.483%0.83176%0.76SS**  trans-90.694.3171.9-61.5171.7000106.4
172L26.6Very low25.7Very low141 Ų141143.4 Ų143.474%0.73875%0.745SS**  trans-103.9100169-80.6170.6000110.1E170E170-L172 PolarHBondContact O-N 3.46Å
173S26Very low25.9Very low97 Ų97140.5 Ų140.568%0.67874%0.735SS**  trans9.2122.4147.650.50000118
174N24.2Very low25.8Very low156 Ų156137.1 Ų137.183%0.83472%0.716SS**  trans-37.4140.2151.2-50.2-27.6000111.8
175D26.7Very low25.7Very low160 Ų160134.8 Ų134.886%0.85671%0.709SS**  trans-146.6161.3137.6-124.3-34.6000111.9
176R23.6Very low25.8Very low181 Ų181131.3 Ų131.368%0.68370%0.696SS**  trans-103.8117.3-151.4-48.7179.3-160-1671.8114.2
177Y25.1Very low26Very low240 Ų240126.7 Ų126.794%0.94168%0.675SS**  trans-146.669.8157.1-92.2-73000110.7
178S24Very low26.2Very low70 Ų70126 Ų12649%0.4967%0.666SS.*  trans-15228.6179.568.50000114.3
179E24.8Very low26.3Very low157 Ų157127.4 Ų127.473%0.73466%0.656SS**SBendtrans-115.179-178.8-71.6176.5156.400110
180S27.6Very low26.6Very low103 Ų103122.2 Ų122.272%0.7264%0.644SS**SBendtrans172.9-29.8163.734.40000112.7
181S29.1Very low26.7Very low78 Ų78119.6 Ų119.655%0.54564%0.644SS.*SBendtrans-111.3-3.1-175.753.10000114.9
182H26.2Very low26.9Very low118 Ų118116.3 Ų116.355%0.54664%0.635SS.*SBendtrans-109.3-14.4-175.3-86.6-71.5000115.5
183S28Very low26.7Very low65 Ų65116.1 Ų116.146%0.45563%0.634SS.*SBendtrans-60.4-51.6172.846.30000111.6S185 S186S183-S185 PolarHBondContact O-N 3.48Å; S183-S185 VanDerWaalsContact O-N 3.07Å; S183-S186 WeakPolarHBondContact O-CA 3.22Å; S183-S186 WeakPolarHBondContact O-CB 3.45Å; S183-S186 PolarHBondContact O-N 2.86Å; S183-S186 PolarHBondContact O-OG 3.2Å
184I29.2Very low26.7Very low66 Ų66118.9 Ų118.934%0.33864%0.641SS.*Hα-helixtrans-54.6-31.5-176.5-57.6156.6000112.8S186 L188 E302I184-S186 PolarHBondContact O-N 2.82Å; I184-L188 HydrophobicContact CG2-CD1 3.97Å; I184-L188 WeakPolarHBondContact O-CG 3.47Å; I184-L188 PolarHBondContact O-N 2.88Å; I184-E302 WeakPolarHBondContact CG1-OE1 3.5Å
185S26.8Very low26.8Very low73 Ų73118.9 Ų118.951%0.5164%0.641SS.*Hα-helixtrans-74.6-6.3177.2-750000114.4S183S183-S185 PolarHBondContact O-N 3.48Å; S183-S185 VanDerWaalsContact O-N 3.07Å
186S26.5Very low26.8Very low70 Ų70117.3 Ų117.349%0.4964%0.639SS.*Hα-helixtrans-93.4-50.6175.5-34.50000110.4S183 I184 L188 K189S183-S186 WeakPolarHBondContact O-CA 3.22Å; S183-S186 WeakPolarHBondContact O-CB 3.45Å; S183-S186 PolarHBondContact O-N 2.86Å; S183-S186 PolarHBondContact O-OG 3.2Å; I184-S186 PolarHBondContact O-N 2.82Å; S186-L188 PolarHBondContact O-N 2.95Å; S186-K189 VanDerWaalsContact O-CB 3.29Å; S186-K189 WeakPolarHBondContact O-CB 3.15Å; S186-K189 PolarHBondContact O-N 2.72Å; S186-K189 VanDerWaalsContact O-N 3.08Å
187S29.3Very low26.9Very low49 Ų49115.5 Ų115.534%0.34364%0.643SS.*Hα-helixtrans-58.1-46.3-178.3-32.20000111.8K189 I190 E302S187-K189 PolarHBondContact O-N 3.44Å; S187-I190 PolarHBondContact O-N 2.83Å; S187-I190 VanDerWaalsContact O-N 3.15Å; S187-E302 WeakPolarHBondContact CB-OE2 3.14Å; S187-E302 PolarHBondContact OG-OE2 2.88Å
188L28.3Very low26.9Very low130 Ų130113 Ų11368%0.68164%0.64SS**THydrogen-bonded Turntrans-63.4-2.8178.1-72.6172.2000114.9I184 S186I184-L188 HydrophobicContact CG2-CD1 3.97Å; I184-L188 WeakPolarHBondContact O-CG 3.47Å; I184-L188 PolarHBondContact O-N 2.88Å; S186-L188 PolarHBondContact O-N 2.95Å
189K27.7Very low26.9Very low157 Ų157114.7 Ų114.768%0.68365%0.652SS**THydrogen-bonded Turntrans-100.7-15.9178.1-115.3175.7179.9179.80114.2S186 S187S186-K189 VanDerWaalsContact O-CB 3.29Å; S186-K189 WeakPolarHBondContact O-CB 3.15Å; S186-K189 PolarHBondContact O-N 2.72Å; S186-K189 VanDerWaalsContact O-N 3.08Å; S187-K189 PolarHBondContact O-N 3.44Å
190I29Very low27.1Very low126 Ų126116.2 Ų116.265%0.64666%0.656SS**THydrogen-bonded Turntrans-95.1-36-175.6-60.3176000110.5S187 S192 L193S187-I190 PolarHBondContact O-N 2.83Å; S187-I190 VanDerWaalsContact O-N 3.15Å; I190-S192 PolarHBondContact O-N 2.74Å; I190-L193 PolarHBondContact O-N 2.81Å
191S27.5Very low27.2Very low113 Ų113119.2 Ų119.279%0.7966%0.664SS**THydrogen-bonded Turntrans-62.22.5179.7-42.20000116
192S28.1Very low27.2Very low92 Ų92122 Ų12264%0.64367%0.668SS**THydrogen-bonded Turntrans-116.58.1-177.661.50000115I190I190-S192 PolarHBondContact O-N 2.74Å
193L23.3Very low27.3Very low137 Ų137125.1 Ų125.172%0.71768%0.675SS**SBendtrans-115.3-9.1-172.9-69.7174.5000116I190 N195I190-L193 PolarHBondContact O-N 2.81Å; L193-N195 PolarHBondContact O-N 3.3Å
194L25.4Very low27.2Very low155 Ų155130.1 Ų130.181%0.81269%0.691SS**  trans-99.578177.4-76.2167.3000112.4
195N27.1Very low27Very low156 Ų156131.1 Ų131.183%0.83471%0.71SS**  trans-161.676.5153.8-103.4-72.2000109.2L193 D197L193-N195 PolarHBondContact O-N 3.3Å; N195-D197 VanDerWaalsContact C-N 3.34Å; N195-D197 PolarHBondContact O-N 3.07Å
196P26.1Very low27.1Very low127 Ų127134.9 Ų134.983%0.82572%0.722SS**  trans-82.174.5-177.934.6-35.5000111.5
197D24.9Very low27Very low143 Ų143142.6 Ų142.677%0.76574%0.741SS**  trans-144144.3164.5-150.5-15.2000111.8N195N195-D197 VanDerWaalsContact C-N 3.34Å; N195-D197 PolarHBondContact O-N 3.07Å
198Q26Very low26.8Very low189 Ų189145.4 Ų145.488%0.88376%0.76SS**  trans6276-172.7-53.9-171.117.900116.3
199S24.2Very low26.7Very low104 Ų104145.8 Ų145.873%0.72777%0.768SS**  trans-116.9167.515277.90000110.9
200K28.5Very low26.6Very low190 Ų190146 Ų14683%0.82677%0.771SS**  trans69.986.8179.7-55.8175-176.5175.30115.5
201D29.3Very low26.4Very low166 Ų166149.8 Ų149.889%0.88878%0.783SS**  -141.4168.1103.3-137.6-25.8000111.4
202H30.4Very low26.4Very low135 Ų135147.1 Ų147.163%0.62577%0.768SS**  trans-124.5138-140.4-131.946.6000118.1
203R27.7Very low26.3Very low184 Ų184146.4 Ų146.469%0.69476%0.757SS**  trans62.3126.5149.8-71179.1-169.5-148.44.5122.5
204Q26.2Very low26.6Very low171 Ų171143.6 Ų143.680%0.79975%0.754SS**  trans69.3137.7131.4-69172.1-42.200119.3
205A24.1Very low26.9Very low87 Ų87141.4 Ų141.472%0.71974%0.741SS**  cis-163.9-174.9-5.100000112.2
206I28.7Very low27Very low152 Ų152138.4 Ų138.478%0.77973%0.726SS**  trans88.785.5163.3-47.5-177.1000117.4
207R24.5Very low27.1Very low232 Ų232136.4 Ų136.488%0.87572%0.715SS**  trans67.2126.8134.7-65.1-179.6173.5169.4-1.6121.5
208S25.3Very low27.3Very low107 Ų107135.1 Ų135.175%0.74871%0.707SS**  trans92.8143.5147.179.50000118.9
209T26.8Very low27.4Very low138 Ų138133.1 Ų133.185%0.84770%0.695SS**  trans75.836.4171.966.90000120.1
210Q25.1Very low27.4Very low161 Ų161132.6 Ų132.675%0.75269%0.692SS**  trans-100.293.2147.8-94.1-172.2-33.700111.4D213Q210-D213 WeakPolarHBondContact CG-OD2 3.31Å; Q210-D213 PolarHBondContact NE2-OD2 3.14Å
211K25.7Very low27.3Very low206 Ų206130.6 Ų130.690%0.89669%0.689SS**SBendtrans-129.926.3162.3-153.5-175.7-179.8-176.90111.2
212A27.5Very low27.1Very low57 Ų57130.8 Ų130.847%0.47168%0.679SS.*SBendtrans-121.1-35.4-173.100000113.4
213D25.8Very low26.9Very low78 Ų78130.1 Ų130.142%0.41768%0.679SS.*THydrogen-bonded Turntrans-85.1-24.1-168-61.9-52.5000115.1Q210 I215 N216 S217Q210-D213 WeakPolarHBondContact CG-OD2 3.31Å; Q210-D213 PolarHBondContact NE2-OD2 3.14Å; D213-I215 PolarHBondContact O-N 3.43Å; D213-I215 VanDerWaalsContact O-N 3.13Å; D213-N216 PolarHBondContact O-N 3.23Å; D213-S217 PolarHBondContact O-N 3.34Å
214A29Very low26.7Very low78 Ų78125.2 Ų125.265%0.64567%0.673SS**Hα-helixtrans-58.9-25.7173.500000113.1N216A214-N216 VanDerWaalsContact C-N 3.33Å
215I32.2Very low26.8Very low108 Ų108122 Ų12255%0.55466%0.662SS**Hα-helixtrans-79.5-16.3178.6-64.4173.3000111.8D213D213-I215 PolarHBondContact O-N 3.43Å; D213-I215 VanDerWaalsContact O-N 3.13Å
216N29.1Very low26.8Very low94 Ų94121 Ų12150%0.50365%0.647SS.*Hα-helixtrans-92-33.2178.4-69.5-40.6000112.7D213 A214 K219D213-N216 PolarHBondContact O-N 3.23Å; A214-N216 VanDerWaalsContact C-N 3.33Å; N216-K219 PolarHBondContact O-N 3.49Å
217S28.6Very low26.7Very low85 Ų85118.2 Ų118.259%0.59464%0.641SS**Hα-helixtrans-65.2-39.5175-56.20000112.4D213 K219 S220D213-S217 PolarHBondContact O-N 3.34Å; S217-K219 PolarHBondContact O-N 2.73Å; S217-S220 WeakPolarHBondContact O-CB 3.48Å; S217-S220 PolarHBondContact O-N 3.1Å
218L28.9Very low26.8Very low116 Ų116112.3 Ų112.361%0.60764%0.635SS**G310 helixtrans-62-24.3174.1-82.8166000113.4S220 Y222L218-S220 VanDerWaalsContact C-N 3.27Å; L218-S220 PolarHBondContact O-N 3.48Å; L218-Y222 WeakPolarHBondContact O-CD2 3.3Å
219K26.8Very low26.9Very low146 Ų146111.2 Ų111.264%0.63562%0.624SS**G310 helixtrans-78.9-6174.4-72.2177.7177.3175.90114.1N216 S217N216-K219 PolarHBondContact O-N 3.49Å; S217-K219 PolarHBondContact O-N 2.73Å
220S25.4Very low26.8Very low94 Ų94114.3 Ų114.366%0.65763%0.628SS**G310 helixtrans-92.4-11.5-179.9-162.70000114.1S217 L218S217-S220 WeakPolarHBondContact O-CB 3.48Å; S217-S220 PolarHBondContact O-N 3.1Å; L218-S220 VanDerWaalsContact C-N 3.27Å; L218-S220 PolarHBondContact O-N 3.48Å
221L26.1Very low26.8Very low147 Ų147109.8 Ų109.877%0.7761%0.614SS**SBendtrans-110.1-9.2-177.5-66.9170.1000113.4L223L221-L223 PolarHBondContact O-N 3.24Å
222Y26Very low26.9Very low170 Ų170106.8 Ų106.867%0.66760%0.601SS**  trans-91.763.2175.9-87.1-100.9000111.8L218L218-Y222 WeakPolarHBondContact O-CD2 3.3Å
223L24.5Very low26.7Very low122 Ų122110.1 Ų110.164%0.63962%0.622SS**  trans-125.852.9169-95.694.8000112L221L221-L223 PolarHBondContact O-N 3.24Å
224S25.4Very low26.7Very low81 Ų81110.2 Ų110.257%0.56663%0.628SS**SBendtrans-132.8122.3160.443.20000108.3T226S224-T226 VanDerWaalsContact C-N 3.31Å; S224-T226 PolarHBondContact O-N 3.18Å
225D26.8Very low26.5Very low104 Ų104109.8 Ų109.856%0.55663%0.631SS**SBendtrans-80.263.3-161.6-68-53.5000114.5R1340D225-R1340 PolarHBondContact O-NH2 3.35Å
226T25.3Very low26.3Very low66 Ų66106.9 Ų106.941%0.40563%0.628SS.*  trans-144.552177.550.60000114.5S224S224-T226 VanDerWaalsContact C-N 3.31Å; S224-T226 PolarHBondContact O-N 3.18Å
227S26.1Very low26.1Very low93 Ų93107.2 Ų107.265%0.6563%0.633SS**  trans179.2127148.940.50000112.7
228S26.4Very low26Very low107 Ų107108 Ų10875%0.74863%0.628SS**  trans-167.762.4162.943.50000113.6
229T27.3Very low25.8Very low84 Ų84108.1 Ų108.152%0.51563%0.629SS.*  trans-111.348.8164.246.90000111.5A1400T229-A1400 HydrophobicContact CG2-CB 4.11Å
230H24.8Very low25.8Very low203 Ų203106.2 Ų106.294%0.9463%0.626SS**  trans-90.595.3162.9-97.3-53.3000110.4
231S25Very low25.8Very low67 Ų67107.3 Ų107.347%0.46963%0.633SS.*  trans-137.7128156.551.30000106.5
232F28.5Very low25.8Very low142 Ų142104.2 Ų104.262%0.62362%0.624SS**  cis-117.8146.231.2-71.9-99.5000115.3
233S22.3Very low25.9Very low128 Ų128105.1 Ų105.190%0.89563%0.634SS**  trans-132.6108.3152.5-169.80000108.1
234S25.1Very low26Very low79 Ų79102.6 Ų102.655%0.55264%0.637SS**  trans-156.1133.3177-171.40000107.9N478S234-N478 VanDerWaalsContact CB-OD1 3.3Å; S234-N478 WeakPolarHBondContact CB-OD1 3.5Å; S234-N478 PolarHBondContact OG-OD1 3.25Å
235G26Very low25.9Very low69 Ų69110.8 Ų110.871%0.71166%0.656SS**  cis-128.1-177.30.200000113.1
236G27.8Very low25.8Very low47 Ų47111.4 Ų111.449%0.48567%0.669SS.*  trans-66.3141-175.200000114.5
237V25.3Very low25.6Very low101 Ų101113.4 Ų113.461%0.61269%0.685SS**  trans-50.1142.7173169.50000112N239 N1516V237-N239 HydrophobicContact CG1-CB 4.24Å; V237-N1516 PolarHBondContact O-OD1 2.77Å; V237-N1516 VanDerWaalsContact O-OD1 3.07Å
238Q26.2Very low25.4Very low102 Ų102117.2 Ų117.248%0.47769%0.692SS.*  trans-123.8111162.4-65.5-154.1-1.800108.1N1516 N1517Q238-N1516 VanDerWaalsContact NE2-N 3.19Å; Q238-N1517 VanDerWaalsContact CA-OD1 3.32Å; Q238-N1517 WeakPolarHBondContact CA-OD1 3.26Å; Q238-N1517 WeakPolarHBondContact CB-OD1 3.46Å; Q238-N1517 VanDerWaalsContact OE1-C 3.26Å
239N25.6Very low25.2Very low119 Ų119116.5 Ų116.564%0.63669%0.687SS**  trans-123.3125.4175.7-84.3-12000111.1V237 N1517V237-N239 HydrophobicContact CG1-CB 4.24Å; N239-N1517 VanDerWaalsContact C-ND2 3.28Å; N239-N1517 WeakPolarHBondContact CA-OD1 3.24Å; N239-N1517 PolarHBondContact N-OD1 2.84Å; N239-N1517 PolarHBondContact O-ND2 2.89Å; N239-N1517 PolarHBondContact O-OD1 2.73Å
240D25.4Very low25Very low106 Ų106122.7 Ų122.757%0.56771%0.707SS**  trans-164.3110.5139.2-111-31.8000116N1518D240-N1518 WeakPolarHBondContact CA-ND2 3.14Å; D240-N1518 VanDerWaalsContact CB-ND2 3.28Å; D240-N1518 WeakPolarHBondContact CB-ND2 3.2Å; D240-N1518 PolarHBondContact N-ND2 2.74Å; D240-N1518 PolarHBondContact N-OD1 2.65Å; D240-N1518 PolarHBondContact O-ND2 2.8Å
241S24.7Very low24.9Very low116 Ų116118.9 Ų118.981%0.81170%0.698SS**  trans67.7154.9153.481.10000119
242S26.6Very low24.7Very low83 Ų83123 Ų12358%0.5871%0.714SS**  cis-148.6139.312.365.30000115.3
243H28Very low24.3Very low189 Ų189125 Ų12588%0.87572%0.722SS**  trans70.9139.3155.1-47.8-35.4000119.8
244G26.4Very low24.2Very low69 Ų69124.3 Ų124.371%0.71172%0.717SS**  cis164.9154.4-13.500000116.3
245R24Very low24.4Very low252 Ų252125.9 Ų125.995%0.95173%0.726SS**  trans69.7145.6172-63.6-179.3175.6-176.8-1.6116.7
246S24.2Very low24.3Very low118 Ų118130.7 Ų130.783%0.82573%0.73SS**  cis-157172.3-11.445.70000111.6
247S21Very low24.3Very low107 Ų107137.1 Ų137.175%0.74875%0.745SS**  trans-92.8168.6-162.6-41.50000117.1
248H22Very low24.3Very low173 Ų173139.5 Ų139.580%0.80175%0.753SS**  trans77.698.8156.7-83.4-75.8000121.2
249S23.2Very low24.3Very low92 Ų92141.2 Ų141.264%0.64377%0.766SS**  trans46.2107130.159.30000120.3
250F22.6Very low24.2Very low214 Ų214144.8 Ų144.894%0.93978%0.775SS**  trans-148.1152.7134.9-122.2-83.4000110.5
251V22.2Very low24.3Very low123 Ų123149.9 Ų149.975%0.74579%0.792SS**  trans-98.8129.5170.3173.30000108.5
252L21.4Very low24.5Very low153 Ų153152.1 Ų152.180%0.80179%0.793SS**  trans176.3140.9135.3-95.8166.2000113.2
253K19.5Very low24.2Very low185 Ų185151.3 Ų151.380%0.80480%0.799SS**  trans-4.9139165.4-59.2175.7177.4-178.60120.1
254S20.7Very low24.2Very low113 Ų113152.6 Ų152.679%0.7980%0.797SS**  173167.8108.6-69.90000111
255P29.5Very low24Very low112 Ų112157.1 Ų157.173%0.72781%0.805SS**  -135.1155.3-76.136.8-18.1000116.5
256E23.7Very low24.1Very low171 Ų171152.8 Ų152.880%0.79979%0.79SS**  trans38.3128.5145.9-58.1-177.1176.300122.8
257K27.6Very low24.2Very low182 Ų182151.9 Ų151.979%0.79178%0.781SS**  -170.3131.590.5-98.3171.2-175.9174.30113.5
258L26Very low24.3Very low150 Ų150155.5 Ų155.579%0.78578%0.783SS**  trans32.6138.3158.9-75.173.4000119.5
259N26.4Very low24.5Very low139 Ų139159.1 Ų159.174%0.74379%0.79SS**  cis-151.2175.540-141.2-18.9000114.4
260K22.7Very low24.6Very low193 Ų193164 Ų16484%0.83980%0.796SS**  trans-73.2134.6-164.8-56169.1-177.9175.50115.9
261K28.1Very low24.6Very low214 Ų214163.8 Ų163.893%0.9380%0.795SS**  -151.6166.1127.3-125.7-179.7-179-174.30110.6
262I28.1Very low24.7Very low162 Ų162164 Ų16483%0.83180%0.797SS**  trans-78.7148.3-167.4-62.2159.1000110.4
263G21.7Very low24.9Very low67 Ų67160.4 Ų160.469%0.69180%0.796SS**  trans-130151.4-179.900000113.4
264Y27.1Very low25.2Very low216 Ų216156.3 Ų156.385%0.84779%0.791SS**  trans-124.8126.4162.3-79.3-86.9000108.3
265N23Very low25.5Very low164 Ų164159.1 Ų159.188%0.87780%0.797SS**  trans-97.6129.7171.1-103.8-30.5000108.3
266Y25.8Very low25.4Very low161 Ų161161.1 Ų161.163%0.63180%0.802SS**  trans-108.7134.3161.3-103.2-98.2000110R365Y266-R365 VanDerWaalsContact CZ-NH1 3.26Å; Y266-R365 VanDerWaalsContact CZ-NH2 3.28Å; Y266-R365 PolarHBondContact OH-NH1 3.5Å
267P26Very low25.7Very low99 Ų99157.9 Ų157.964%0.64380%0.797SS**  trans-69.6135.9-177.3-16.430.7000111.5W269P267-W269 PolarHBondContact O-N 3.31Å
268K23.4Very low25.7Very low182 Ų182157 Ų15779%0.79180%0.796SS**  trans-71.9110.6168.9-72.4-172.6175.2-173.60109.9Y270K268-Y270 HydrophobicContact CB-CD2 4.44Å; K268-Y270 HydrophobicContact CB-CE2 4.44Å; K268-Y270 PolarHBondContact O-N 3.39Å
269W25.6Very low25.7Very low249 Ų249153.6 Ų153.694%0.94378%0.784SS**  trans-74.1103.6169.1-70.3-36.7000111P267P267-W269 PolarHBondContact O-N 3.31Å
270Y24.9Very low25.8Very low195 Ų195153.8 Ų153.877%0.76578%0.782SS**  trans-95.5120.4158.3-81.8-83.4000108.9K268 T272K268-Y270 HydrophobicContact CB-CD2 4.44Å; K268-Y270 HydrophobicContact CB-CE2 4.44Å; K268-Y270 PolarHBondContact O-N 3.39Å; Y270-T272 PolarHBondContact O-N 3.32Å
271K23.9Very low26Very low210 Ų210150.8 Ų150.891%0.91378%0.775SS**  trans-73.7103.1171.2-87.9-178.3175.6172.90110.2
272T24.5Very low26.2Very low128 Ų128146.1 Ų146.179%0.78577%0.769SS**  trans-137.2133.5156.550.40000108.7Y270Y270-T272 PolarHBondContact O-N 3.32Å
273G24.1Very low26.1Very low76 Ų76148 Ų14878%0.78478%0.775SS**  trans-62.7171.3164.700000111.2
274S26Very low26.6Very low100 Ų100148 Ų14870%0.69978%0.775SS**  cis-163.4151.918.6174.40000109.3
275D27.1Very low27.1Very low171 Ų171144.8 Ų144.891%0.91477%0.772SS**  trans-129.4120.1152.7-88.5-48.8000108.5
276N28.2Very low27.6Very low155 Ų155143.9 Ų143.983%0.82977%0.767SS**  trans-152.498.9172.3-16817000110.4
277S29Very low28.2Very low102 Ų102144.1 Ų144.171%0.71378%0.78SS**  trans-161.6145.4168.464.40000107.1
278H27.8Very low28.6Very low164 Ų164146.7 Ų146.776%0.75979%0.788SS**  cis-161.9140.827-16545.1000111.5
279C26.7Very low29Very low79 Ų79145.2 Ų145.253%0.53479%0.789SS.*  trans62.1150.9154.5-69.10000119.5
280M27.2Very low29.3Very low142 Ų142139.9 Ų139.970%0.778%0.779SS**  cis-158.8164.3-6.8-123.32.6-171.500110.5
281D27.6Very low29.6Very low130 Ų130140.2 Ų140.270%0.69579%0.787SS**  trans40.3120.9152.7-43.8-28.4000118.2
282S33.2Very low29.9Very low116 Ų116139.8 Ų139.881%0.81179%0.788SS**  -162.1150.650.8-47.60000112.4
283E24.8Very low30Very low203 Ų203142.6 Ų142.695%0.94979%0.793SS**  trans-85.6153.8158.2-66.4174.5146.400109.2
284G33.7Very low30.1Very low67 Ų67148.4 Ų148.469%0.69180%0.799SS**  trans176.277-177.800000115.2
285D35.7Very low30.1Very low147 Ų147153.1 Ų153.179%0.78681%0.81SS**  trans52.1112.1146.7-46.8-11.2000121
286D34.9Very low30.1Very low146 Ų146154 Ų15478%0.78181%0.809SS**  47.8120.8125.4-49.6-10.9000122.2
287D39Very low30.1Very low166 Ų166155.5 Ų155.589%0.88881%0.811SS**  -172.4152.6111.3-96.9-25.5000110.5
288D33.6Very low30.2Very low153 Ų153157.7 Ų157.782%0.81882%0.82SS**  trans-93.6178.3-163.6-66.8-62.4000117.1
289D32.1Very low30.5Very low151 Ų151157.9 Ų157.981%0.80782%0.821SS**  trans73.3109.6159.7-63.3-26.2000121.1
290D31Very low30.7Very low137 Ų137158.6 Ų158.673%0.73382%0.819SS**  trans167.758131.4-93-22.6000114.2
291E32.3Very low31.1Very low201 Ų201158.3 Ų158.394%0.93982%0.816SS**  trans-139.990.9166.8-74.6-169.8170.900113.5
292E29Very low31.4Very low201 Ų201156 Ų15694%0.93980%0.801SS**  trans-112.863.8160.2-87.1-161.7157.600110.1
293E27.1Very low31.7Very low188 Ų188156 Ų15688%0.87979%0.792SS**  trans-160.258172-132.4171.2-132.500115.4
294E26.9Very low32.4Very low197 Ų197152.5 Ų152.592%0.92178%0.775SS**  trans-166.583161.1-114.1170.6-135.300112.8
295E24.9Very low32.5Very low200 Ų200152 Ų15294%0.93576%0.761SS**  trans-139.634.7175.6-106-156.5-170.900114.9
296E28.2Very low32.6Very low189 Ų189148.4 Ų148.488%0.88375%0.748SS**SBendtrans-129.1160.1158.4-70-163.415200110.1
297E26.6Very low32.8Very low187 Ų187143.8 Ų143.887%0.87473%0.727SS**  trans71.575.4-175.5-57-170.6175.800117.4
298V31.8Very low32.9Very low147 Ų147139 Ų13989%0.89170%0.699SS**  trans-121.8122.1147.5179.10000108.9D300V298-D300 PolarHBondContact O-N 3.42Å
299E33.8Very low33.2Very low169 Ų169137.3 Ų137.379%0.7969%0.686SS**  trans-83.3109.3-166.7-63.6-179.7129.300113.4E301E299-E301 HydrophobicContact CB-CG 4.46Å; E299-E301 PolarHBondContact O-N 2.91Å
300D30.7Very low34.1Very low93 Ų93133.9 Ų133.950%0.49767%0.674SS.*THydrogen-bonded Turntrans-8145179.8-151.135.8000111.2V298 K1376 R1379V298-D300 PolarHBondContact O-N 3.42Å; D300-K1376 IonicContact OD2-NZ 3.61Å; D300-R1379 PolarHBondContact O-NH1 3.15Å; D300-R1379 PolarHBondContact O-NH2 3.49Å; D300-R1379 VanDerWaalsContact O-NH2 3.13Å; D300-R1379 IonicContact OD2-NH2 3.32Å
301E36.7Very low35Very low136 Ų136129.9 Ų129.964%0.63665%0.652SS**THydrogen-bonded Turntrans-112.7-18.1-167.2-60.6-121.8125.300116.3E299 L303 R1379E299-E301 HydrophobicContact CB-CG 4.46Å; E299-E301 PolarHBondContact O-N 2.91Å; E301-L303 PolarHBondContact O-N 3.15Å; E301-R1379 IonicContact OE1-NH1 3.64Å; E301-R1379 PolarHBondContact OE1-NH1 3.08Å
302E32.6Very low36.3Very low82 Ų82127.2 Ų127.238%0.38363%0.634SS.*THydrogen-bonded Turntrans-74.79.5-176-72.5-167.2134.100115.9I184 S187 S305I184-E302 WeakPolarHBondContact CG1-OE1 3.5Å; S187-E302 WeakPolarHBondContact CB-OE2 3.14Å; S187-E302 PolarHBondContact OG-OE2 2.88Å; E302-S305 PolarHBondContact O-OG 3.48Å
303L41.1Very low37.9Very low117 Ų117122.2 Ų122.261%0.61361%0.613SS**THydrogen-bonded Turntrans-81.8-22.3-172.6-99.5166.9000115.8E301 S305 S306E301-L303 PolarHBondContact O-N 3.15Å; L303-S305 VanDerWaalsContact C-N 3.33Å; L303-S305 PolarHBondContact O-N 3.47Å; L303-S306 PolarHBondContact O-OG 3.4Å
304E39.1Very low40Very low128 Ų128115 Ų11560%0.59859%0.586SS**THydrogen-bonded Turntrans-74.8-14.9-170.8-63.3-164.7145.400114.9
305S35Very low42.5Very low57 Ų57106.7 Ų106.740%0.39955%0.547SS..THydrogen-bonded Turntrans-77.9-31.1-178.457.20000114.2E302 L303 S307 H308 E309E302-S305 PolarHBondContact O-OG 3.48Å; L303-S305 VanDerWaalsContact C-N 3.33Å; L303-S305 PolarHBondContact O-N 3.47Å; S305-S307 PolarHBondContact O-N 2.86Å; S305-H308 WeakPolarHBondContact O-CB 3.45Å; S305-H308 PolarHBondContact O-N 3.07Å; S305-E309 PolarHBondContact O-N 2.62Å
306S37.8Very low45Very low71 Ų71101 Ų10150%0.49752%0.517SS..Hα-helixtrans-63.2-37.3-161.660.10000115.5L303 H308L303-S306 PolarHBondContact O-OG 3.4Å; S306-H308 VanDerWaalsContact C-N 3.34Å
307S39.9Very low47.4Very low50 Ų5098.6 Ų98.635%0.3551%0.506SS..Hα-helixtrans-71.3-31.3175.662.30000112.3S305S305-S307 PolarHBondContact O-N 2.86Å
308H39.8Very low50.1Low64 Ų6489.9 Ų89.930%0.29647%0.465SS..Hα-helixtrans-77.8-26.1-174.2-147.3-123.9000112.2S305 S306 R312 R1389S305-H308 WeakPolarHBondContact O-CB 3.45Å; S305-H308 PolarHBondContact O-N 3.07Å; S306-H308 VanDerWaalsContact C-N 3.34Å; H308-R312 WeakPolarHBondContact O-CG 3.34Å; H308-R1389 PolarHBondContact CD2-NH2 3.35Å; H308-R1389 PolarHBondContact NE2-NE 3.25Å; H308-R1389 PolarHBondContact NE2-NH2 2.81Å
309E39.9Very low52.7Low118 Ų11883 Ų8355%0.55142%0.423SS*.Hα-helixtrans-76.7-48.2176.5-158.6153.4-121.600111.7S305 I311 R312 D313S305-E309 PolarHBondContact O-N 2.62Å; E309-I311 VanDerWaalsContact C-N 3.27Å; E309-I311 PolarHBondContact O-N 2.85Å; E309-I311 VanDerWaalsContact O-N 3.14Å; E309-R312 WeakPolarHBondContact O-CA 3.4Å; E309-R312 WeakPolarHBondContact O-CB 3.47Å; E309-R312 PolarHBondContact O-N 3.43Å; E309-D313 PolarHBondContact O-N 2.89Å
310S52.2Low55Low79 Ų7980.4 Ų80.455%0.55242%0.415SS*.Hα-helixtrans-56.5-35-179.7177.70000114.4A314S310-A314 PolarHBondContact O-N 2.96Å
311I50.7Low57.6Low54 Ų5479.3 Ų79.328%0.27741%0.405SS..Hα-helixtrans-75.7-31.3176.4-59.5174.6000111.4E309 F315E309-I311 VanDerWaalsContact C-N 3.27Å; E309-I311 PolarHBondContact O-N 2.85Å; E309-I311 VanDerWaalsContact O-N 3.14Å; I311-F315 PolarHBondContact O-N 2.76Å; I311-F315 VanDerWaalsContact O-N 3.16Å
312R58.5Low59.6Low145 Ų14577.9 Ų77.955%0.54740%0.402SS..Hα-helixtrans-66.9-43.4173.1-75.3174.5168.4-175.1-2110.6H308 E309 A314 F315 W316H308-R312 WeakPolarHBondContact O-CG 3.34Å; E309-R312 WeakPolarHBondContact O-CA 3.4Å; E309-R312 WeakPolarHBondContact O-CB 3.47Å; E309-R312 PolarHBondContact O-N 3.43Å; R312-A314 PolarHBondContact O-N 2.81Å; R312-F315 PolarHBondContact O-N 3.44Å; R312-W316 PolarHBondContact O-N 3.43Å
313D62.6Low62.2Low95 Ų9576 Ų7651%0.50840%0.396SS..Hα-helixtrans-59.6-47.7177.5-68.9-17.7000111.4E309 F315 W316 E317E309-D313 PolarHBondContact O-N 2.89Å; D313-F315 VanDerWaalsContact C-N 3.32Å; D313-F315 PolarHBondContact O-N 3.39Å; D313-W316 PolarHBondContact O-N 3.35Å; D313-W316 VanDerWaalsContact O-N 3.15Å; D313-E317 PolarHBondContact O-N 2.9Å
314A70.5Confident64.1Low38 Ų3875.9 Ų75.931%0.31441%0.405SS..Hα-helixtrans-61-37.5177.300000113S310 R312 S318 L333S310-A314 PolarHBondContact O-N 2.96Å; R312-A314 PolarHBondContact O-N 2.81Å; A314-S318 WeakPolarHBondContact O-CB 3.43Å; A314-S318 PolarHBondContact O-N 2.92Å; A314-S318 PolarHBondContact O-OG 2.83Å; A314-L333 HydrophobicContact CB-CD2 3.73Å
315F79.7Confident66.4Low21 Ų2174.7 Ų74.79%0.09240%0.403CS..Hα-helixtrans-64.5-45.4172.9171.9-95.1000111.8I311 R312 D313 S318 I319 L334 N337 V338I311-F315 PolarHBondContact O-N 2.76Å; I311-F315 VanDerWaalsContact O-N 3.16Å; R312-F315 PolarHBondContact O-N 3.44Å; D313-F315 VanDerWaalsContact C-N 3.32Å; D313-F315 PolarHBondContact O-N 3.39Å; F315-S318 WeakPolarHBondContact O-CB 3.45Å; F315-S318 PolarHBondContact O-N 3.37Å; F315-I319 HydrophobicContact CE1-CD1 3.96Å; F315-I319 HydrophobicContact CE2-CD1 4.3Å; F315-I319 HydrophobicContact CZ-CD1 3.6Å; F315-I319 PolarHBondContact O-N 3.14Å; F315-L334 HydrophobicContact CD2-CD2 3.85Å; F315-L334 HydrophobicContact CE2-CD2 3.63Å; F315-L334 HydrophobicContact CZ-CD2 4.36Å; F315-N337 HydrophobicContact CD2-CB 3.53Å; F315-N337 HydrophobicContact CE2-CB 3.51Å; F315-N337 HydrophobicContact CG-CB 4.46Å; F315-N337 HydrophobicContact CZ-CB 4.43Å; F315-V338 HydrophobicContact CE2-CG2 4.19Å; F315-V338 HydrophobicContact CZ-CG2 4.49Å
316W78.4Confident68.9Low81 Ų8173.2 Ų73.231%0.30739%0.389SS..Hα-helixtrans-67.2-39.7178-70.7120.5000112.4R312 D313 S318 I319 L320 L361 L385 H430R312-W316 PolarHBondContact O-N 3.43Å; D313-W316 PolarHBondContact O-N 3.35Å; D313-W316 VanDerWaalsContact O-N 3.15Å; W316-S318 VanDerWaalsContact C-N 3.3Å; W316-S318 PolarHBondContact O-N 3.42Å; W316-I319 HydrophobicContact CE3-CG2 3.66Å; W316-I319 HydrophobicContact CZ3-CG2 4.11Å; W316-I319 PolarHBondContact O-N 3.22Å; W316-L320 VanDerWaalsContact O-CB 3.27Å; W316-L320 WeakPolarHBondContact O-CB 3.4Å; W316-L320 WeakPolarHBondContact O-CD1 3.35Å; W316-L320 WeakPolarHBondContact O-CG 3.46Å; W316-L320 PolarHBondContact O-N 3.41Å; W316-L361 HydrophobicContact CE3-CD2 4.11Å; W316-L361 HydrophobicContact CZ3-CD1 4.05Å; W316-L361 HydrophobicContact CZ3-CD2 3.78Å; W316-L385 HydrophobicContact CH2-CD1 4.37Å; W316-L385 HydrophobicContact CZ3-CD1 4.4Å; W316-H430 AromaticContact CH2-ND1 3.63Å
317E78.6Confident71.3Confident138 Ų13873.1 Ų73.165%0.64539%0.385SS*.Hα-helixtrans-60.3-40.5171.1-72.4-159.3153.100111.7D313 K321D313-E317 PolarHBondContact O-N 2.9Å; E317-K321 WeakPolarHBondContact O-CG 2.95Å; E317-K321 PolarHBondContact O-N 3.1Å
318S83.5Confident73.3Confident4 Ų476.1 Ų76.13%0.02839%0.394CS..Hα-helixtrans-66.5-39178.7-59.60000112.9A314 F315 W316 R326 D330A314-S318 WeakPolarHBondContact O-CB 3.43Å; A314-S318 PolarHBondContact O-N 2.92Å; A314-S318 PolarHBondContact O-OG 2.83Å; F315-S318 WeakPolarHBondContact O-CB 3.45Å; F315-S318 PolarHBondContact O-N 3.37Å; W316-S318 VanDerWaalsContact C-N 3.3Å; W316-S318 PolarHBondContact O-N 3.42Å; S318-R326 PolarHBondContact O-NE 3.46Å; S318-D330 PolarHBondContact OG-OD1 3.11Å
319I85Confident75.2Confident2 Ų280 Ų801%0.0141%0.412CS..Hα-helixtrans-78.7-31.9-177.9-139.6170.3000112.3F315 W316 R326 L334 L361 L385 L432F315-I319 HydrophobicContact CE1-CD1 3.96Å; F315-I319 HydrophobicContact CE2-CD1 4.3Å; F315-I319 HydrophobicContact CZ-CD1 3.6Å; F315-I319 PolarHBondContact O-N 3.14Å; W316-I319 HydrophobicContact CE3-CG2 3.66Å; W316-I319 HydrophobicContact CZ3-CG2 4.11Å; W316-I319 PolarHBondContact O-N 3.22Å; I319-R326 PolarHBondContact O-NH2 3.04Å; I319-L334 HydrophobicContact CB-CD2 3.78Å; I319-L334 HydrophobicContact CD1-CD2 4.07Å; I319-L334 HydrophobicContact CG1-CD2 3.7Å; I319-L361 HydrophobicContact CG2-CB 4.27Å; I319-L361 HydrophobicContact CG2-CD2 3.95Å; I319-L385 HydrophobicContact CD1-CD1 3.75Å; I319-L432 HydrophobicContact CD1-CD1 4.23Å; I319-L432 HydrophobicContact CD1-CD2 3.57Å; I319-L432 HydrophobicContact CD1-CG 4.1Å; I319-L432 HydrophobicContact CG1-CD2 3.92Å
320L83.1Confident77.4Confident116 Ų11675 Ų7561%0.60739%0.389SS*.Hα-helixtrans-77.8-17.5178.3-71170000113.4W316 L361W316-L320 VanDerWaalsContact O-CB 3.27Å; W316-L320 WeakPolarHBondContact O-CB 3.4Å; W316-L320 WeakPolarHBondContact O-CD1 3.35Å; W316-L320 WeakPolarHBondContact O-CG 3.46Å; W316-L320 PolarHBondContact O-N 3.41Å; L320-L361 HydrophobicContact CD2-CD2 3.84Å
321K83.9Confident79.1Confident70 Ų7071.6 Ų71.630%0.30437%0.365SS..SBendtrans-60.5140.1164.3-73.6164.9-170.81780110.1E317 R326 D330E317-K321 WeakPolarHBondContact O-CG 2.95Å; E317-K321 PolarHBondContact O-N 3.1Å; K321-R326 HydrophobicContact CB-CG 3.86Å; K321-R326 PolarHBondContact O-NH2 2.76Å; K321-D330 WeakPolarHBondContact CD-OD2 3.47Å; K321-D330 IonicContact NZ-OD1 3.8Å; K321-D330 PolarHBondContact NZ-OD1 2.82Å; K321-D330 IonicContact NZ-OD2 2.59Å; K321-D330 PolarHBondContact NZ-OD2 2.6Å
322L80.4Confident80.5Confident106 Ų10671.9 Ų71.956%0.55537%0.367SS*.  trans-61.5149.9169.2-65.1173.6000109.7S324 D325 R326L322-S324 PolarHBondContact O-N 2.83Å; L322-S324 VanDerWaalsContact O-N 3.08Å; L322-D325 HydrophobicContact CB-CB 4.47Å; L322-D325 PolarHBondContact O-N 2.98Å; L322-R326 PolarHBondContact O-N 3.23Å
323P85.9Confident81.8Confident42 Ų4266.8 Ų66.827%0.27335%0.351SS..G310 helixtrans-46.1-39.4174.1-35.139.8000114.7D325 S357 V358 V360P323-D325 VanDerWaalsContact C-N 3.31Å; P323-D325 PolarHBondContact O-N 2.92Å; P323-S357 WeakPolarHBondContact CB-O 3.24Å; P323-V358 WeakPolarHBondContact CG-O 3.33Å; P323-V360 HydrophobicContact CG-CG2 3.8Å
324S82.4Confident82.9Confident114 Ų11462.3 Ų62.380%0.79733%0.326SS*.G310 helixtrans-70-21.7178.1-50.10000115L322L322-S324 PolarHBondContact O-N 2.83Å; L322-S324 VanDerWaalsContact O-N 3.08Å
325D86.4Confident83.6Confident103 Ų10361.1 Ų61.155%0.55132%0.315SS*.G310 helixtrans-102.4-1.6-173.4-59.9-29.8000112.4L322 P323L322-D325 HydrophobicContact CB-CB 4.47Å; L322-D325 PolarHBondContact O-N 2.98Å; P323-D325 VanDerWaalsContact C-N 3.31Å; P323-D325 PolarHBondContact O-N 2.92Å
326R87Confident83.5Confident26 Ų2665 Ų6510%0.09833%0.333CS..  trans-77.8130.9177.8-70.8-173-172.5130.318111.5S318 I319 K321 L322 D330 V331 C356 M359S318-R326 PolarHBondContact O-NE 3.46Å; I319-R326 PolarHBondContact O-NH2 3.04Å; K321-R326 HydrophobicContact CB-CG 3.86Å; K321-R326 PolarHBondContact O-NH2 2.76Å; L322-R326 PolarHBondContact O-N 3.23Å; R326-D330 HydrophobicContact CB-CB 4.11Å; R326-D330 HydrophobicContact CG-CB 4.29Å; R326-V331 HydrophobicContact CB-CG2 4.11Å; R326-C356 PolarHBondContact NH1-O 3.5Å; R326-M359 VanDerWaalsContact CZ-O 3.26Å; R326-M359 PolarHBondContact NH1-O 3.17Å; R326-M359 PolarHBondContact NH2-O 3.16Å
327T88.1Confident83.5Confident70 Ų7063.1 Ų63.143%0.42933%0.329SS..  trans-77.2167.5167.2660000110.9E329 D330 V331T327-E329 PolarHBondContact O-N 3.05Å; T327-E329 PolarHBondContact OG1-N 3.43Å; T327-D330 WeakPolarHBondContact CB-OD2 3.49Å; T327-D330 PolarHBondContact N-OD2 2.94Å; T327-D330 WeakPolarHBondContact O-CB 3.37Å; T327-D330 PolarHBondContact O-N 3.31Å; T327-D330 PolarHBondContact OG1-N 3.33Å; T327-D330 VanDerWaalsContact OG1-N 3.13Å; T327-D330 PolarHBondContact OG1-OD2 3.46Å; T327-V331 WeakPolarHBondContact O-CG2 3.37Å; T327-V331 PolarHBondContact O-N 3.28Å; T327-V331 VanDerWaalsContact O-N 3.11Å
328Q82.5Confident83.5Confident113 Ų11356.6 Ų56.653%0.52830%0.299SS..Hα-helixtrans-63.5-29.2172.7-172.357.860.200112.2V331 D332Q328-V331 PolarHBondContact O-N 3.39Å; Q328-D332 PolarHBondContact NE2-OD1 3.43Å; Q328-D332 WeakPolarHBondContact O-CB 3.16Å; Q328-D332 PolarHBondContact O-N 2.88Å
329E79Confident83.3Confident145 Ų14559.6 Ų59.668%0.67831%0.312SS*.Hα-helixtrans-67.1-43.6175.7-61174.2-176.100110.8T327 V331 D332 L333T327-E329 PolarHBondContact O-N 3.05Å; T327-E329 PolarHBondContact OG1-N 3.43Å; E329-V331 PolarHBondContact O-N 2.97Å; E329-D332 PolarHBondContact O-N 3.33Å; E329-L333 WeakPolarHBondContact O-CB 3.08Å; E329-L333 PolarHBondContact O-N 2.83Å
330D87.4Confident82.5Confident13 Ų1365.5 Ų65.57%0.0734%0.34CS..Hα-helixtrans-59.9-44.5173.3-62.4-54.1000111.8S318 K321 R326 T327 D332 L333 L334S318-D330 PolarHBondContact OG-OD1 3.11Å; K321-D330 WeakPolarHBondContact CD-OD2 3.47Å; K321-D330 IonicContact NZ-OD1 3.8Å; K321-D330 PolarHBondContact NZ-OD1 2.82Å; K321-D330 IonicContact NZ-OD2 2.59Å; K321-D330 PolarHBondContact NZ-OD2 2.6Å; R326-D330 HydrophobicContact CB-CB 4.11Å; R326-D330 HydrophobicContact CG-CB 4.29Å; T327-D330 WeakPolarHBondContact CB-OD2 3.49Å; T327-D330 PolarHBondContact N-OD2 2.94Å; T327-D330 WeakPolarHBondContact O-CB 3.37Å; T327-D330 PolarHBondContact O-N 3.31Å; T327-D330 PolarHBondContact OG1-N 3.33Å; T327-D330 VanDerWaalsContact OG1-N 3.13Å; T327-D330 PolarHBondContact OG1-OD2 3.46Å; D330-D332 VanDerWaalsContact C-N 3.33Å; D330-D332 PolarHBondContact O-N 3.48Å; D330-L333 PolarHBondContact O-N 3.42Å; D330-L334 WeakPolarHBondContact O-CB 3.42Å; D330-L334 VanDerWaalsContact O-CG 3.25Å; D330-L334 WeakPolarHBondContact O-CG 3.42Å; D330-L334 PolarHBondContact O-N 3.38Å
331V86.6Confident82Confident8 Ų860.8 Ų60.85%0.04832%0.315CS..Hα-helixtrans-65.4-36.8-179.91720000111.7R326 T327 Q328 E329 L335 R353 C356R326-V331 HydrophobicContact CB-CG2 4.11Å; T327-V331 WeakPolarHBondContact O-CG2 3.37Å; T327-V331 PolarHBondContact O-N 3.28Å; T327-V331 VanDerWaalsContact O-N 3.11Å; Q328-V331 PolarHBondContact O-N 3.39Å; E329-V331 PolarHBondContact O-N 2.97Å; V331-L335 WeakPolarHBondContact O-CB 3.38Å; V331-L335 PolarHBondContact O-N 3.43Å; V331-R353 HydrophobicContact CG1-CG 3.67Å; V331-C356 HydrophobicContact CG1-CB 4.02Å
332D81.9Confident81.4Confident59 Ų5959.5 Ų59.532%0.31631%0.314SS..Hα-helixtrans-75.9-35.2178.8-77.49.1000112.2Q328 E329 D330 L335 E336 R353Q328-D332 PolarHBondContact NE2-OD1 3.43Å; Q328-D332 WeakPolarHBondContact O-CB 3.16Å; Q328-D332 PolarHBondContact O-N 2.88Å; E329-D332 PolarHBondContact O-N 3.33Å; D330-D332 VanDerWaalsContact C-N 3.33Å; D330-D332 PolarHBondContact O-N 3.48Å; D332-L335 WeakPolarHBondContact O-CB 3.45Å; D332-L335 PolarHBondContact O-N 2.87Å; D332-E336 PolarHBondContact O-N 3.15Å; D332-E336 VanDerWaalsContact O-N 3.07Å; D332-R353 IonicContact OD1-CZ 2.68Å; D332-R353 VanDerWaalsContact OD1-CZ 3.22Å; D332-R353 IonicContact OD1-NE 2.82Å; D332-R353 PolarHBondContact OD1-NE 3.25Å; D332-R353 IonicContact OD1-NH2 3.72Å; D332-R353 PolarHBondContact OD1-NH2 3.33Å; D332-R353 IonicContact OD2-CZ 3.4Å; D332-R353 IonicContact OD2-NH2 3.32Å; D332-R353 PolarHBondContact OD2-NH2 3.02Å
333L84.3Confident81.2Confident39 Ų3955.5 Ų55.520%0.20430%0.296CS..Hα-helixtrans-66.1-39.3171.1-178.264.3000112A314 E329 D330 L335 N337A314-L333 HydrophobicContact CB-CD2 3.73Å; E329-L333 WeakPolarHBondContact O-CB 3.08Å; E329-L333 PolarHBondContact O-N 2.83Å; D330-L333 PolarHBondContact O-N 3.42Å; L333-L335 VanDerWaalsContact C-N 3.35Å; L333-N337 PolarHBondContact O-N 2.69Å; L333-N337 PolarHBondContact O-ND2 2.87Å
334L87.1Confident80.9Confident0 Ų053.6 Ų53.60%028%0.283CS..Hα-helixtrans-61.7-44.4171.7-72.8174.6000110.9F315 I319 D330 E336 N337 V338 C356F315-L334 HydrophobicContact CD2-CD2 3.85Å; F315-L334 HydrophobicContact CE2-CD2 3.63Å; F315-L334 HydrophobicContact CZ-CD2 4.36Å; I319-L334 HydrophobicContact CB-CD2 3.78Å; I319-L334 HydrophobicContact CD1-CD2 4.07Å; I319-L334 HydrophobicContact CG1-CD2 3.7Å; D330-L334 WeakPolarHBondContact O-CB 3.42Å; D330-L334 VanDerWaalsContact O-CG 3.25Å; D330-L334 WeakPolarHBondContact O-CG 3.42Å; D330-L334 PolarHBondContact O-N 3.38Å; L334-E336 PolarHBondContact O-N 3.37Å; L334-N337 PolarHBondContact O-N 2.92Å; L334-V338 VanDerWaalsContact O-CB 3.23Å; L334-V338 WeakPolarHBondContact O-CB 3.47Å; L334-V338 VanDerWaalsContact O-CG2 3.24Å; L334-V338 WeakPolarHBondContact O-CG2 3.36Å; L334-V338 PolarHBondContact O-N 3.27Å; L334-C356 HydrophobicContact CB-CB 4.14Å
335L84.5Confident80.3Confident13 Ų1351.3 Ų51.37%0.06827%0.267CS..Hα-helixtrans-58.5-47.6179.1179.862.7000112.1V331 D332 L333 N337 V338 E339 C352 R353V331-L335 WeakPolarHBondContact O-CB 3.38Å; V331-L335 PolarHBondContact O-N 3.43Å; D332-L335 WeakPolarHBondContact O-CB 3.45Å; D332-L335 PolarHBondContact O-N 2.87Å; L333-L335 VanDerWaalsContact C-N 3.35Å; L335-N337 VanDerWaalsContact C-N 3.26Å; L335-N337 PolarHBondContact O-N 2.91Å; L335-V338 PolarHBondContact O-N 3.06Å; L335-E339 WeakPolarHBondContact O-CB 3.31Å; L335-E339 PolarHBondContact O-N 3.49Å; L335-C352 HydrophobicContact CD1-CB 3.37Å; L335-R353 HydrophobicContact CD2-CB 4.25Å
336E78Confident79.3Confident104 Ų10453.5 Ų53.549%0.48628%0.279SS..Hα-helixtrans-57.7-36.9-179.9-175179.7-175.700113.2D332 L334 Q340D332-E336 PolarHBondContact O-N 3.15Å; D332-E336 VanDerWaalsContact O-N 3.07Å; L334-E336 PolarHBondContact O-N 3.37Å; E336-Q340 PolarHBondContact O-NE2 3.4Å
337N77.3Confident78.8Confident41 Ų4154.1 Ų54.122%0.21928%0.284CS..Hα-helixtrans-86.1-30.7-179-71.8-86.3000112.9F315 L333 L334 L335F315-N337 HydrophobicContact CD2-CB 3.53Å; F315-N337 HydrophobicContact CE2-CB 3.51Å; F315-N337 HydrophobicContact CG-CB 4.46Å; F315-N337 HydrophobicContact CZ-CB 4.43Å; L333-N337 PolarHBondContact O-N 2.69Å; L333-N337 PolarHBondContact O-ND2 2.87Å; L334-N337 PolarHBondContact O-N 2.92Å; L335-N337 VanDerWaalsContact C-N 3.26Å; L335-N337 PolarHBondContact O-N 2.91Å
338V79.9Confident78Confident1 Ų153 Ų531%0.00628%0.278CS..Hα-helixtrans-89.3-29.7-175171.70000113F315 L334 L335 Q340 L341 F344 M359 L432F315-V338 HydrophobicContact CE2-CG2 4.19Å; F315-V338 HydrophobicContact CZ-CG2 4.49Å; L334-V338 VanDerWaalsContact O-CB 3.23Å; L334-V338 WeakPolarHBondContact O-CB 3.47Å; L334-V338 VanDerWaalsContact O-CG2 3.24Å; L334-V338 WeakPolarHBondContact O-CG2 3.36Å; L334-V338 PolarHBondContact O-N 3.27Å; L335-V338 PolarHBondContact O-N 3.06Å; V338-Q340 PolarHBondContact O-N 3.35Å; V338-Q340 VanDerWaalsContact O-N 3.08Å; V338-L341 HydrophobicContact CG1-CD1 4.42Å; V338-L341 WeakPolarHBondContact O-CB 3.4Å; V338-L341 PolarHBondContact O-N 2.8Å; V338-F344 HydrophobicContact CG1-CB 4.42Å; V338-F344 HydrophobicContact CG1-CD1 3.69Å; V338-F344 HydrophobicContact CG1-CD2 3.37Å; V338-F344 HydrophobicContact CG1-CE1 3.64Å; V338-F344 HydrophobicContact CG1-CE2 3.32Å; V338-F344 HydrophobicContact CG1-CG 3.56Å; V338-F344 HydrophobicContact CG1-CZ 3.46Å; V338-F344 VanDerWaalsContact CG1-CZ 3.46Å; V338-M359 HydrophobicContact CG1-CE 4.26Å; V338-L432 HydrophobicContact CG2-CD1 4.14Å
339E77.9Confident77.5Confident67 Ų6753.5 Ų53.531%0.31328%0.278SS..THydrogen-bonded Turntrans-58.5-22.3176-176.2176.3165.600113.1L335 L341 K349L335-E339 WeakPolarHBondContact O-CB 3.31Å; L335-E339 PolarHBondContact O-N 3.49Å; E339-L341 VanDerWaalsContact C-N 3.31Å; E339-L341 PolarHBondContact O-N 3.31Å; E339-K349 WeakPolarHBondContact OE1-CE 3.14Å; E339-K349 IonicContact OE1-NZ 2.69Å; E339-K349 PolarHBondContact OE1-NZ 3.33Å; E339-K349 WeakPolarHBondContact OE2-CE 3.16Å; E339-K349 IonicContact OE2-NZ 3.67Å; E339-K349 PolarHBondContact OE2-NZ 2.9Å
340Q69.6Low77.2Confident126 Ų12649.4 Ų49.459%0.58927%0.269SS*.THydrogen-bonded Turntrans-78.5-9.1177.1-60.7175.851.500113.6E336 V338E336-Q340 PolarHBondContact O-NE2 3.4Å; V338-Q340 PolarHBondContact O-N 3.35Å; V338-Q340 VanDerWaalsContact O-N 3.08Å
341L72.1Confident77Confident17 Ų1749 Ų499%0.08927%0.267CS..SBendtrans-86.6140.6-179.4-62.4175.2000111.5V338 E339 A343 F344 S345 L385V338-L341 HydrophobicContact CG1-CD1 4.42Å; V338-L341 WeakPolarHBondContact O-CB 3.4Å; V338-L341 PolarHBondContact O-N 2.8Å; E339-L341 VanDerWaalsContact C-N 3.31Å; E339-L341 PolarHBondContact O-N 3.31Å; L341-A343 PolarHBondContact O-N 2.84Å; L341-A343 VanDerWaalsContact O-N 3.08Å; L341-F344 HydrophobicContact CB-CD2 4.16Å; L341-F344 PolarHBondContact O-N 3.5Å; L341-S345 PolarHBondContact O-N 2.98Å; L341-L385 HydrophobicContact CD1-CD2 3.66Å
342P70.6Confident76.9Confident42 Ų4248.8 Ų48.827%0.27327%0.266SS..THydrogen-bonded Turntrans-49.8-37.9179-30.635.9000114.8M93 L95 F344 S345M93-P342 HydrophobicContact CE-CB 4.04Å; M93-P342 HydrophobicContact CE-CG 4.46Å; L95-P342 HydrophobicContact CD1-CG 4.28Å; P342-F344 PolarHBondContact O-N 3.44Å; P342-S345 PolarHBondContact O-OG 3.21Å; P342-S345 VanDerWaalsContact O-OG 3.07Å
343A77Confident77.2Confident22 Ų2248.9 Ų48.918%0.18226%0.262CS..THydrogen-bonded Turntrans-61.8-19.9178.700000115.3L341 W381 V383 A406L341-A343 PolarHBondContact O-N 2.84Å; L341-A343 VanDerWaalsContact O-N 3.08Å; A343-W381 HydrophobicContact CB-CH2 4.37Å; A343-W381 HydrophobicContact CB-CZ2 4.17Å; A343-V383 HydrophobicContact CB-CB 4.39Å; A343-V383 HydrophobicContact CB-CG1 3.71Å; A343-V383 HydrophobicContact CB-CG2 3.7Å; A343-A406 HydrophobicContact CB-CB 3.85Å
344F80.2Confident77.2Confident2 Ų249.3 Ų49.31%0.00927%0.268CS..THydrogen-bonded Turntrans-115.1-16.5-175.3-66.3-96.1000113.5V338 L341 P342 N346 L347 L355 M359 W381 V383V338-F344 HydrophobicContact CG1-CB 4.42Å; V338-F344 HydrophobicContact CG1-CD1 3.69Å; V338-F344 HydrophobicContact CG1-CD2 3.37Å; V338-F344 HydrophobicContact CG1-CE1 3.64Å; V338-F344 HydrophobicContact CG1-CE2 3.32Å; V338-F344 HydrophobicContact CG1-CG 3.56Å; V338-F344 HydrophobicContact CG1-CZ 3.46Å; V338-F344 VanDerWaalsContact CG1-CZ 3.46Å; L341-F344 HydrophobicContact CB-CD2 4.16Å; L341-F344 PolarHBondContact O-N 3.5Å; P342-F344 PolarHBondContact O-N 3.44Å; F344-N346 PolarHBondContact O-N 3.41Å; F344-N346 VanDerWaalsContact O-N 3.1Å; F344-L347 HydrophobicContact CD1-CD1 4.36Å; F344-L347 PolarHBondContact O-N 2.99Å; F344-L347 VanDerWaalsContact O-N 3.09Å; F344-L355 HydrophobicContact CD1-CD1 4.16Å; F344-L355 HydrophobicContact CE1-CB 4.07Å; F344-L355 HydrophobicContact CE1-CD1 3.82Å; F344-M359 HydrophobicContact CE1-CE 3.88Å; F344-M359 HydrophobicContact CZ-CE 3.73Å; F344-W381 HydrophobicContact CD1-CH2 4.43Å; F344-W381 HydrophobicContact CD2-CH2 4.48Å; F344-W381 AromaticContact CE1-CH2 3.85Å; F344-W381 HydrophobicContact CE1-CH2 3.85Å; F344-W381 AromaticContact CE1-CZ3 3.98Å; F344-W381 HydrophobicContact CE1-CZ3 3.98Å; F344-W381 AromaticContact CE2-CH2 3.9Å; F344-W381 HydrophobicContact CE2-CH2 3.9Å; F344-W381 HydrophobicContact CE2-CZ3 4.36Å; F344-W381 AromaticContact CZ-CH2 3.54Å; F344-W381 HydrophobicContact CZ-CH2 3.54Å; F344-W381 AromaticContact CZ-CZ3 3.64Å; F344-W381 HydrophobicContact CZ-CZ3 3.64Å; F344-V383 HydrophobicContact CE2-CB 4.45Å; F344-V383 HydrophobicContact CE2-CG1 4.36Å; F344-V383 HydrophobicContact CE2-CG2 3.95Å; F344-V383 HydrophobicContact CZ-CG2 4.38Å
345S68.1Low77.4Confident66 Ų6649.3 Ų49.346%0.46227%0.268SS..THydrogen-bonded Turntrans-59.9-25.1-171.762.30000115.4L341 P342L341-S345 PolarHBondContact O-N 2.98Å; P342-S345 PolarHBondContact O-OG 3.21Å; P342-S345 VanDerWaalsContact O-OG 3.07Å
346N66.9Low77.7Confident150 Ų15048.7 Ų48.780%0.80226%0.264SS*.THydrogen-bonded Turntrans-98.22.1-179-70.2-63.9000114.2F344F344-N346 PolarHBondContact O-N 3.41Å; F344-N346 VanDerWaalsContact O-N 3.1Å
347L76.1Confident78.3Confident38 Ų3846.1 Ų46.120%0.19926%0.258CS..SBendtrans-98154.4-176.4-56.9-177.4000111.3F344 T351 L355 M443F344-L347 HydrophobicContact CD1-CD1 4.36Å; F344-L347 PolarHBondContact O-N 2.99Å; F344-L347 VanDerWaalsContact O-N 3.09Å; L347-T351 HydrophobicContact CB-CG2 4.26Å; L347-T351 HydrophobicContact CD1-CG2 4.26Å; L347-L355 HydrophobicContact CD1-CD1 3.66Å; L347-M443 HydrophobicContact CD2-CE 3.73Å; L347-M443 HydrophobicContact CD2-SD 4.29Å
348T71.9Confident78.9Confident47 Ų4745.6 Ų45.629%0.28826%0.256SS..  trans-68.5151.6175.680.70000111.1A350 T351 C352 E446T348-A350 PolarHBondContact O-N 3.4Å; T348-A350 VanDerWaalsContact O-N 3.13Å; T348-A350 PolarHBondContact OG1-N 2.88Å; T348-T351 CarbonylContact O-C 3.53Å; T348-T351 WeakPolarHBondContact O-CA 3.14Å; T348-T351 VanDerWaalsContact O-CB 3.28Å; T348-T351 WeakPolarHBondContact O-CB 3.42Å; T348-T351 PolarHBondContact O-N 2.55Å; T348-T351 PolarHBondContact OG1-N 3.09Å; T348-T351 PolarHBondContact OG1-OG1 2.76Å; T348-C352 PolarHBondContact O-N 2.86Å; T348-C352 PolarHBondContact O-SG 2.95Å; T348-E446 HydrophobicContact CG2-CG 4.06Å; T348-E446 PolarHBondContact N-OE1 2.96Å
349K70.2Confident79.4Confident123 Ų12345.5 Ų45.554%0.53526%0.256SS..Hα-helixtrans-59-27174.3-76.1-159.6-172.9-125.70113.4E339 R353E339-K349 WeakPolarHBondContact OE1-CE 3.14Å; E339-K349 IonicContact OE1-NZ 2.69Å; E339-K349 PolarHBondContact OE1-NZ 3.33Å; E339-K349 WeakPolarHBondContact OE2-CE 3.16Å; E339-K349 IonicContact OE2-NZ 3.67Å; E339-K349 PolarHBondContact OE2-NZ 2.9Å; K349-R353 WeakPolarHBondContact O-CB 3.43Å; K349-R353 PolarHBondContact O-N 3.38Å
350A72.9Confident80Confident60 Ų6045.2 Ų45.250%0.49626%0.259SS..Hα-helixtrans-68.6-41172.500000111.5T348 S354T348-A350 PolarHBondContact O-N 3.4Å; T348-A350 VanDerWaalsContact O-N 3.13Å; T348-A350 PolarHBondContact OG1-N 2.88Å; A350-S354 WeakPolarHBondContact O-CB 3.31Å; A350-S354 PolarHBondContact O-N 3.43Å; A350-S354 PolarHBondContact O-OG 3.21Å
351T83.9Confident81Confident5 Ų540.4 Ų40.43%0.03124%0.237CC..Hα-helixtrans-63-53.1172.2-45.20000110.8L347 T348 R353 S354 L355 I442 M443 E446L347-T351 HydrophobicContact CB-CG2 4.26Å; L347-T351 HydrophobicContact CD1-CG2 4.26Å; T348-T351 CarbonylContact O-C 3.53Å; T348-T351 WeakPolarHBondContact O-CA 3.14Å; T348-T351 VanDerWaalsContact O-CB 3.28Å; T348-T351 WeakPolarHBondContact O-CB 3.42Å; T348-T351 PolarHBondContact O-N 2.55Å; T348-T351 PolarHBondContact OG1-N 3.09Å; T348-T351 PolarHBondContact OG1-OG1 2.76Å; T351-R353 PolarHBondContact O-N 3.22Å; T351-S354 CarbonylContact O-C 3.52Å; T351-S354 WeakPolarHBondContact O-CA 3.22Å; T351-S354 WeakPolarHBondContact O-CB 3.18Å; T351-S354 PolarHBondContact O-N 2.73Å; T351-S354 VanDerWaalsContact O-N 3.1Å; T351-L355 HydrophobicContact CG2-CD1 4.31Å; T351-L355 WeakPolarHBondContact O-CG 3.16Å; T351-L355 PolarHBondContact O-N 2.86Å; T351-I442 HydrophobicContact CG2-CG2 3.91Å; T351-M443 HydrophobicContact CG2-SD 3.62Å; T351-E446 VanDerWaalsContact CB-OE1 3.25Å; T351-E446 WeakPolarHBondContact CB-OE1 3.15Å; T351-E446 WeakPolarHBondContact CG2-OE1 3.46Å; T351-E446 VanDerWaalsContact OG1-CD 3.25Å; T351-E446 PolarHBondContact OG1-OE1 3.2Å
352C85.2Confident81.8Confident2 Ų241.4 Ų41.41%0.01425%0.248CC..Hα-helixtrans-57.6-49.3179.2-63.10000112.1L335 T348 S354 L355 C356L335-C352 HydrophobicContact CD1-CB 3.37Å; T348-C352 PolarHBondContact O-N 2.86Å; T348-C352 PolarHBondContact O-SG 2.95Å; C352-S354 VanDerWaalsContact C-N 3.26Å; C352-S354 PolarHBondContact O-N 3.08Å; C352-L355 PolarHBondContact O-N 3.28Å; C352-C356 PolarHBondContact O-N 3.1Å; C352-C356 PolarHBondContact O-SG 3.38Å
353R86.9Confident82.6Confident62 Ų6243.1 Ų43.123%0.23425%0.254CS..Hα-helixtrans-60.2-37.2176.7-172.6178.5-92153.3-15111.9V331 D332 L335 K349 T351 C356 S357 T471V331-R353 HydrophobicContact CG1-CG 3.67Å; D332-R353 IonicContact OD1-CZ 2.68Å; D332-R353 VanDerWaalsContact OD1-CZ 3.22Å; D332-R353 IonicContact OD1-NE 2.82Å; D332-R353 PolarHBondContact OD1-NE 3.25Å; D332-R353 IonicContact OD1-NH2 3.72Å; D332-R353 PolarHBondContact OD1-NH2 3.33Å; D332-R353 IonicContact OD2-CZ 3.4Å; D332-R353 IonicContact OD2-NH2 3.32Å; D332-R353 PolarHBondContact OD2-NH2 3.02Å; L335-R353 HydrophobicContact CD2-CB 4.25Å; K349-R353 WeakPolarHBondContact O-CB 3.43Å; K349-R353 PolarHBondContact O-N 3.38Å; T351-R353 PolarHBondContact O-N 3.22Å; R353-C356 PolarHBondContact O-N 2.83Å; R353-S357 PolarHBondContact O-N 3.25Å; R353-S357 VanDerWaalsContact O-N 3.15Å; R353-T471 PolarHBondContact NH1-OG1 3.21Å
354S86Confident83.1Confident47 Ų4743.3 Ų43.333%0.32925%0.251SS..Hα-helixtrans-67.3-36.4174.7-58.30000112.4A350 T351 C352 S357 I442A350-S354 WeakPolarHBondContact O-CB 3.31Å; A350-S354 PolarHBondContact O-N 3.43Å; A350-S354 PolarHBondContact O-OG 3.21Å; T351-S354 CarbonylContact O-C 3.52Å; T351-S354 WeakPolarHBondContact O-CA 3.22Å; T351-S354 WeakPolarHBondContact O-CB 3.18Å; T351-S354 PolarHBondContact O-N 2.73Å; T351-S354 VanDerWaalsContact O-N 3.1Å; C352-S354 VanDerWaalsContact C-N 3.26Å; C352-S354 PolarHBondContact O-N 3.08Å; S354-S357 PolarHBondContact O-OG 3.33Å; S354-I442 WeakPolarHBondContact O-CD1 3.41Å
355L90.5Very high83.1Confident0 Ų048.6 Ų48.60%027%0.271CS..Hα-helixtrans-69.6-41.6174-66.2170.5000111.2F344 L347 T351 C352 S357 V358 M359 W381 V434 Y439 I442F344-L355 HydrophobicContact CD1-CD1 4.16Å; F344-L355 HydrophobicContact CE1-CB 4.07Å; F344-L355 HydrophobicContact CE1-CD1 3.82Å; L347-L355 HydrophobicContact CD1-CD1 3.66Å; T351-L355 HydrophobicContact CG2-CD1 4.31Å; T351-L355 WeakPolarHBondContact O-CG 3.16Å; T351-L355 PolarHBondContact O-N 2.86Å; C352-L355 PolarHBondContact O-N 3.28Å; L355-S357 PolarHBondContact O-N 3.27Å; L355-V358 WeakPolarHBondContact O-CG2 3.46Å; L355-V358 PolarHBondContact O-N 2.9Å; L355-M359 HydrophobicContact CB-CE 4.4Å; L355-M359 WeakPolarHBondContact O-CB 3.39Å; L355-M359 WeakPolarHBondContact O-CG 3.12Å; L355-M359 PolarHBondContact O-N 3.32Å; L355-W381 HydrophobicContact CD1-CH2 4.43Å; L355-W381 HydrophobicContact CD1-CZ3 4.25Å; L355-V434 HydrophobicContact CD2-CG1 4.19Å; L355-V434 HydrophobicContact CD2-CG2 4.31Å; L355-Y439 HydrophobicContact CD2-CD2 4.07Å; L355-I442 HydrophobicContact CD2-CD1 4.06Å; L355-I442 HydrophobicContact CD2-CG2 4.18Å; L355-I442 HydrophobicContact CG-CG2 4.25Å
356C91Very high83.7Confident0 Ų052 Ų520%028%0.28CS..Hα-helixtrans-60.5-29.4176-67.90000113.2R326 V331 L334 C352 R353 M359R326-C356 PolarHBondContact NH1-O 3.5Å; V331-C356 HydrophobicContact CG1-CB 4.02Å; L334-C356 HydrophobicContact CB-CB 4.14Å; C352-C356 PolarHBondContact O-N 3.1Å; C352-C356 PolarHBondContact O-SG 3.38Å; R353-C356 PolarHBondContact O-N 2.83Å; C356-M359 HydrophobicContact CB-CE 4.49Å
357S89.4Confident84.4Confident50 Ų5047.2 Ų47.235%0.3526%0.261SS..Hα-helixtrans-76.7-16.8174.771.60000114.5P323 R353 S354 L355P323-S357 WeakPolarHBondContact CB-O 3.24Å; R353-S357 PolarHBondContact O-N 3.25Å; R353-S357 VanDerWaalsContact O-N 3.15Å; S354-S357 PolarHBondContact O-OG 3.33Å; L355-S357 PolarHBondContact O-N 3.27Å
358V91.3Very high84.7Confident30 Ų3047.5 Ų47.518%0.18227%0.273CS..Hα-helixtrans-116.6-17.9-177.6-60.70000115.6P323 L355 V434 D438 I442P323-V358 WeakPolarHBondContact CG-O 3.33Å; L355-V358 WeakPolarHBondContact O-CG2 3.46Å; L355-V358 PolarHBondContact O-N 2.9Å; V358-V434 HydrophobicContact CG2-CG1 3.74Å; V358-D438 HydrophobicContact CG1-CB 4.47Å; V358-D438 HydrophobicContact CG2-CB 4.45Å; V358-I442 HydrophobicContact CG1-CD1 4.39Å; V358-I442 HydrophobicContact CG2-CD1 3.67Å
359M90.8Very high85.4Confident0 Ų049.4 Ų49.40%028%0.279CS..  trans-64.7148.9-175.564.4176.24600113.8R326 V338 F344 L355 C356 L432 C433 V434R326-M359 VanDerWaalsContact CZ-O 3.26Å; R326-M359 PolarHBondContact NH1-O 3.17Å; R326-M359 PolarHBondContact NH2-O 3.16Å; V338-M359 HydrophobicContact CG1-CE 4.26Å; F344-M359 HydrophobicContact CE1-CE 3.88Å; F344-M359 HydrophobicContact CZ-CE 3.73Å; L355-M359 HydrophobicContact CB-CE 4.4Å; L355-M359 WeakPolarHBondContact O-CB 3.39Å; L355-M359 WeakPolarHBondContact O-CG 3.12Å; L355-M359 PolarHBondContact O-N 3.32Å; C356-M359 HydrophobicContact CB-CE 4.49Å; M359-L432 HydrophobicContact CB-CD2 4.02Å; M359-L432 HydrophobicContact CE-CD1 4.16Å; M359-L432 HydrophobicContact CG-CD2 3.92Å; M359-L432 HydrophobicContact SD-CD1 3.78Å; M359-L432 HydrophobicContact SD-CD2 3.58Å; M359-L432 VanDerWaalsContact SD-CD2 3.58Å; M359-L432 HydrophobicContact SD-CG 4.28Å; M359-C433 WeakPolarHBondContact CA-O 3.2Å; M359-V434 HydrophobicContact CB-CG2 3.86Å
360V90.4Very high86.3Confident61 Ų6147.6 Ų47.637%0.3727%0.274SS..EExtended strand (participates in β ladder)trans-129.9141.7-180-177.20000109.9P323 C433P323-V360 HydrophobicContact CG-CG2 3.8Å; V360-C433 PolarHBondContact N-O 3.23Å; V360-C433 PolarHBondContact O-N 2.69Å
361L89.8Confident87Confident25 Ų2546.3 Ų46.313%0.13126%0.26CS..EExtended strand (participates in β ladder)trans-83.6131.4174.9-172.773.6000111.4W316 I319 L320 I363 L385 H430 F431W316-L361 HydrophobicContact CE3-CD2 4.11Å; W316-L361 HydrophobicContact CZ3-CD1 4.05Å; W316-L361 HydrophobicContact CZ3-CD2 3.78Å; I319-L361 HydrophobicContact CG2-CB 4.27Å; I319-L361 HydrophobicContact CG2-CD2 3.95Å; L320-L361 HydrophobicContact CD2-CD2 3.84Å; L361-I363 HydrophobicContact CD2-CD1 3.86Å; L361-I363 HydrophobicContact CD2-CG1 3.96Å; L361-I363 HydrophobicContact CG-CG1 4.14Å; L361-L385 HydrophobicContact CD1-CD1 3.84Å; L361-H430 HydrophobicContact CD1-CB 4.31Å; L361-F431 CarbonylContact C-O 3.6Å; L361-F431 WeakPolarHBondContact CA-O 3.48Å
362A88.9Confident87.2Confident38 Ų3847.2 Ų47.231%0.31426%0.264SS..EExtended strand (participates in β ladder)trans-113.3145.1163.700000110.4H430 F431A362-H430 WeakPolarHBondContact O-CA 3.33Å; A362-F431 HydrophobicContact CB-CB 4.41Å; A362-F431 PolarHBondContact N-O 2.9Å; A362-F431 PolarHBondContact O-N 2.84Å
363I86.8Confident87.5Confident78 Ų7851 Ų5140%0.429%0.285SS..EExtended strand (participates in β ladder)trans-131.1129.5-177.2-61.4-179000108.5L361 R365L361-I363 HydrophobicContact CD2-CD1 3.86Å; L361-I363 HydrophobicContact CD2-CG1 3.96Å; L361-I363 HydrophobicContact CG-CG1 4.14Å; I363-R365 HydrophobicContact CG2-CG 4.24Å
364I87.6Confident87.5Confident25 Ų2550.6 Ų50.613%0.12829%0.287CS..EExtended strand (participates in β ladder)trans-125.9110.8177.5-57.3-175.7000107.8Q369 V371 T424 D428 C429 F431I364-Q369 HydrophobicContact CG2-CB 4.01Å; I364-Q369 HydrophobicContact CG2-CG 4.04Å; I364-Q369 VanDerWaalsContact CG2-OE1 3.3Å; I364-V371 HydrophobicContact CD1-CB 4.17Å; I364-V371 HydrophobicContact CD1-CG1 3.73Å; I364-V371 HydrophobicContact CD1-CG2 3.74Å; I364-T424 HydrophobicContact CB-CG2 4.14Å; I364-T424 HydrophobicContact CG2-CG2 3.66Å; I364-D428 CarbonylContact O-C 3.58Å; I364-D428 WeakPolarHBondContact O-CA 3.22Å; I364-D428 PolarHBondContact O-N 3.01Å; I364-C429 HydrophobicContact CB-CB 4.47Å; I364-C429 PolarHBondContact N-O 3.07Å; I364-C429 PolarHBondContact O-N 3.07Å; I364-F431 HydrophobicContact CB-CE2 4.27Å; I364-F431 HydrophobicContact CD1-CD2 4.35Å; I364-F431 HydrophobicContact CD1-CE2 3.7Å; I364-F431 HydrophobicContact CD1-CZ 4.45Å; I364-F431 HydrophobicContact CG1-CD2 4.43Å; I364-F431 HydrophobicContact CG1-CE2 3.91Å
365R81.2Confident87.4Confident114 Ų11452.6 Ų52.643%0.4329%0.294SS..  trans-82-39.3-168-61.5-137-175.492.5-5.5114.4Y266 I363 E427 D428Y266-R365 VanDerWaalsContact CZ-NH1 3.26Å; Y266-R365 VanDerWaalsContact CZ-NH2 3.28Å; Y266-R365 PolarHBondContact OH-NH1 3.5Å; I363-R365 HydrophobicContact CG2-CG 4.24Å; R365-E427 CarbonylContact O-C 3.39Å; R365-E427 WeakPolarHBondContact O-CA 3.25Å; R365-E427 VanDerWaalsContact O-CB 3.24Å; R365-E427 WeakPolarHBondContact O-CB 3.43Å; R365-D428 WeakPolarHBondContact CA-OD1 3.14Å; R365-D428 WeakPolarHBondContact CD-OD1 3.4Å; R365-D428 WeakPolarHBondContact CG-OD1 3.15Å; R365-D428 IonicContact NE-OD1 2.72Å; R365-D428 PolarHBondContact O-N 3.43Å
366E79.2Confident87.3Confident138 Ų13856.2 Ų56.265%0.64531%0.311SS*.SBendtrans-86.9135.5-171.5-66.8173.6-160.200110.7Q369 T424E366-Q369 HydrophobicContact CB-CB 4.5Å; E366-Q369 WeakPolarHBondContact O-CB 3.47Å; E366-T424 PolarHBondContact O-OG1 2.93Å
367A82.9Confident86.9Confident48 Ų4860.8 Ų60.840%0.39734%0.339SS..THydrogen-bonded Turntrans-71.4147.7168.800000110.9Q369 T424 E427A367-Q369 PolarHBondContact O-N 3.14Å; A367-T424 WeakPolarHBondContact CA-OG1 3.45Å; A367-E427 HydrophobicContact CB-CG 3.91Å
368G82.2Confident86.7Confident45 Ų4559 Ų5946%0.46433%0.325SS..THydrogen-bonded Turntrans77.6-1.4-175.700000115T424G368-T424 VanDerWaalsContact CA-O 3.29Å; G368-T424 WeakPolarHBondContact CA-O 3.39Å; G368-T424 PolarHBondContact N-O 3.05Å; G368-T424 PolarHBondContact N-OG1 3.2Å
369Q86.4Confident86.5Confident87 Ų8762.5 Ų62.541%0.40734%0.343SS..  trans-70.8128.6177.4-176.8172.9-10.300110.5I364 E366 A367 V371 R423 T424I364-Q369 HydrophobicContact CG2-CB 4.01Å; I364-Q369 HydrophobicContact CG2-CG 4.04Å; I364-Q369 VanDerWaalsContact CG2-OE1 3.3Å; E366-Q369 HydrophobicContact CB-CB 4.5Å; E366-Q369 WeakPolarHBondContact O-CB 3.47Å; A367-Q369 PolarHBondContact O-N 3.14Å; Q369-V371 PolarHBondContact O-N 3.38Å; Q369-R423 CarbonylContact O-C 3.54Å; Q369-R423 VanDerWaalsContact O-CA 3.24Å; Q369-R423 WeakPolarHBondContact O-CA 3.32Å; Q369-T424 PolarHBondContact N-OG1 2.91Å; Q369-T424 PolarHBondContact O-N 2.91Å; Q369-T424 PolarHBondContact O-OG1 2.71Å
370I89.3Confident86.5Confident84 Ų8464.1 Ų64.143%0.43135%0.353SS..EExtended strand (participates in β ladder)trans-69126.2175.1-63.2172.9000109.3V421 M422 R423I370-V421 HydrophobicContact CB-CG1 4.46Å; I370-V421 HydrophobicContact CD1-CG1 3.87Å; I370-V421 HydrophobicContact CG1-CG1 3.88Å; I370-V421 HydrophobicContact CG2-CG1 3.79Å; I370-M422 CarbonylContact C-O 3.53Å; I370-M422 WeakPolarHBondContact CA-O 3.08Å; I370-R423 HydrophobicContact CG1-CB 4.47Å
371V87.8Confident86.5Confident33 Ų3362 Ų6220%0.234%0.338CS..EExtended strand (participates in β ladder)trans-97.1-40.7-178.7-173.70000111I364 Q369 V389 M422 T424 F431I364-V371 HydrophobicContact CD1-CB 4.17Å; I364-V371 HydrophobicContact CD1-CG1 3.73Å; I364-V371 HydrophobicContact CD1-CG2 3.74Å; Q369-V371 PolarHBondContact O-N 3.38Å; V371-V389 HydrophobicContact CG2-CG1 4.19Å; V371-M422 HydrophobicContact CB-CB 4.26Å; V371-M422 HydrophobicContact CB-CG 3.91Å; V371-M422 HydrophobicContact CB-SD 3.87Å; V371-M422 HydrophobicContact CG1-SD 3.89Å; V371-M422 HydrophobicContact CG2-CG 4.25Å; V371-M422 HydrophobicContact CG2-SD 4.43Å; V371-M422 PolarHBondContact N-O 3.38Å; V371-T424 HydrophobicContact CG2-CG2 3.82Å; V371-F431 HydrophobicContact CG1-CZ 4.41Å
372L88.7Confident86.6Confident24 Ų2461.1 Ų61.113%0.12633%0.334CS..EExtended strand (participates in β ladder)trans-143.4138.6176.2-69.1169.8000109.1E376 L378 F407 H418 M422L372-E376 HydrophobicContact CD2-CG 4.42Å; L372-L378 HydrophobicContact CD1-CD2 3.71Å; L372-L378 HydrophobicContact CD2-CD2 4.32Å; L372-F407 HydrophobicContact CD1-CD2 4.07Å; L372-F407 HydrophobicContact CD1-CE2 3.9Å; L372-H418 HydrophobicContact CB-CB 4.46Å; L372-H418 VanDerWaalsContact CB-CD2 3.42Å; L372-H418 WeakPolarHBondContact CB-CD2 3.32Å; L372-H418 HydrophobicContact CD1-CB 4.48Å; L372-M422 HydrophobicContact CB-CB 4.04Å; L372-M422 HydrophobicContact CD1-CE 4.29Å; L372-M422 HydrophobicContact CD1-SD 4.36Å; L372-M422 PolarHBondContact N-O 3.21Å; L372-M422 PolarHBondContact O-N 3.45Å
373N89.8Confident86.7Confident83 Ų8359.3 Ų59.344%0.44432%0.319SS..  trans-88.9158.6177.1-59.4-93000111.1N375 E376 G420N373-N375 PolarHBondContact O-N 3.13Å; N373-E376 HydrophobicContact CB-CB 4.24Å; N373-E376 WeakPolarHBondContact CB-OE2 3.43Å; N373-E376 PolarHBondContact N-OE2 3Å; N373-E376 PolarHBondContact ND2-OE2 2.72Å; N373-E376 WeakPolarHBondContact O-CB 3.33Å; N373-E376 PolarHBondContact O-N 3.01Å; N373-G420 CarbonylContact C-O 3.51Å
374D87.5Confident86.7Confident53 Ų5355.6 Ų55.628%0.28330%0.3SS..THydrogen-bonded Turntrans-63.7129.7174.5-177.646.5000110.9E376 G420 V421D374-E376 VanDerWaalsContact C-N 3.27Å; D374-E376 PolarHBondContact O-N 3.23Å; D374-G420 WeakPolarHBondContact CA-O 3.18Å; D374-G420 PolarHBondContact N-O 3.42Å; D374-G420 PolarHBondContact OD1-N 2.93Å; D374-V421 HydrophobicContact CB-CG2 4.05Å
375N84.1Confident86.5Confident88 Ų8854.9 Ų54.947%0.47130%0.296SS..THydrogen-bonded Turntrans65.316.8-171.1-41.4-87.1000115.4N373 I417 H418N373-N375 PolarHBondContact O-N 3.13Å; N375-I417 HydrophobicContact CB-CD1 4.47Å; N375-H418 VanDerWaalsContact CA-O 3.22Å; N375-H418 WeakPolarHBondContact CA-O 3.4Å; N375-H418 PolarHBondContact N-O 3.44Å
376E87.4Confident86.5Confident77 Ų7752.8 Ų52.836%0.3629%0.293SS..  trans-66.6138.3170.4-171.2157.1-169.700111.1L372 N373 D374 L378 I417 H418L372-E376 HydrophobicContact CD2-CG 4.42Å; N373-E376 HydrophobicContact CB-CB 4.24Å; N373-E376 WeakPolarHBondContact CB-OE2 3.43Å; N373-E376 PolarHBondContact N-OE2 3Å; N373-E376 PolarHBondContact ND2-OE2 2.72Å; N373-E376 WeakPolarHBondContact O-CB 3.33Å; N373-E376 PolarHBondContact O-N 3.01Å; D374-E376 VanDerWaalsContact C-N 3.27Å; D374-E376 PolarHBondContact O-N 3.23Å; E376-L378 PolarHBondContact O-N 2.91Å; E376-I417 CarbonylContact O-C 3.54Å; E376-I417 WeakPolarHBondContact O-CA 3.36Å; E376-H418 PolarHBondContact O-N 3.33Å
377V84.4Confident86.6Confident96 Ų9646.8 Ų46.858%0.58227%0.269SS*.BIsolated β-bridgetrans-74.9126.4-177.4-178.60000109.7D379 I417V377-D379 PolarHBondContact O-N 3.21Å; V377-I417 HydrophobicContact CG2-CG2 4.24Å
378L84.4Confident86.6Confident12 Ų1246 Ų466%0.06326%0.26CS..  trans-82.8111.1179.2-63.6169.7000109.3L372 E376 V409 C416 H418L372-L378 HydrophobicContact CD1-CD2 3.71Å; L372-L378 HydrophobicContact CD2-CD2 4.32Å; E376-L378 PolarHBondContact O-N 2.91Å; L378-V409 HydrophobicContact CB-CG2 4.02Å; L378-V409 WeakPolarHBondContact O-CG2 3.25Å; L378-C416 HydrophobicContact CB-CB 4.1Å; L378-C416 HydrophobicContact CD1-CB 4.22Å; L378-C416 PolarHBondContact N-O 3.05Å; L378-H418 HydrophobicContact CD1-CB 4.46Å; L378-H418 HydrophobicContact CD2-CB 4.01Å; L378-H418 HydrophobicContact CG-CB 4.26Å
379D87.5Confident86.9Confident104 Ų10443.9 Ų43.956%0.55624%0.237SC*.  trans-101.7-4.4179.273.2-16.5000113.5V377 Q436V377-D379 PolarHBondContact O-N 3.21Å; D379-Q436 WeakPolarHBondContact O-CB 3.46Å; D379-Q436 PolarHBondContact O-N 3.03Å
380T90Very high87Confident34 Ų3440.6 Ų40.621%0.20922%0.222CC..EExtended strand (participates in β ladder)trans-138.4151.5-168.734.50000111G408 V409 C433 V434T380-G408 CarbonylContact O-C 3.59Å; T380-G408 VanDerWaalsContact O-CA 3.24Å; T380-G408 WeakPolarHBondContact O-CA 3.38Å; T380-V409 PolarHBondContact O-N 3.22Å; T380-C433 HydrophobicContact CG2-CB 4.33Å; T380-V434 CarbonylContact C-O 3.53Å; T380-V434 WeakPolarHBondContact CA-O 3.21Å
381W91.2Very high86.9Confident17 Ų1736.8 Ų36.86%0.06420%0.203CC..EExtended strand (participates in β ladder)trans-101.9128.1161.6175.578.8000108A343 F344 L355 V383 A406 C433 V434 Y439A343-W381 HydrophobicContact CB-CH2 4.37Å; A343-W381 HydrophobicContact CB-CZ2 4.17Å; F344-W381 HydrophobicContact CD1-CH2 4.43Å; F344-W381 HydrophobicContact CD2-CH2 4.48Å; F344-W381 AromaticContact CE1-CH2 3.85Å; F344-W381 HydrophobicContact CE1-CH2 3.85Å; F344-W381 AromaticContact CE1-CZ3 3.98Å; F344-W381 HydrophobicContact CE1-CZ3 3.98Å; F344-W381 AromaticContact CE2-CH2 3.9Å; F344-W381 HydrophobicContact CE2-CH2 3.9Å; F344-W381 HydrophobicContact CE2-CZ3 4.36Å; F344-W381 AromaticContact CZ-CH2 3.54Å; F344-W381 HydrophobicContact CZ-CH2 3.54Å; F344-W381 AromaticContact CZ-CZ3 3.64Å; F344-W381 HydrophobicContact CZ-CZ3 3.64Å; L355-W381 HydrophobicContact CD1-CH2 4.43Å; L355-W381 HydrophobicContact CD1-CZ3 4.25Å; W381-V383 HydrophobicContact CD2-CG2 4.48Å; W381-V383 HydrophobicContact CE3-CG2 4.27Å; W381-V383 HydrophobicContact CH2-CG2 3.5Å; W381-V383 HydrophobicContact CZ2-CG2 3.69Å; W381-V383 HydrophobicContact CZ3-CG2 3.8Å; W381-A406 HydrophobicContact CZ2-CB 4.2Å; W381-C433 CarbonylContact O-C 3.53Å; W381-C433 WeakPolarHBondContact O-CA 3.38Å; W381-V434 HydrophobicContact CE3-CB 4.19Å; W381-V434 HydrophobicContact CE3-CG2 3.94Å; W381-V434 HydrophobicContact CZ3-CG2 4.28Å; W381-V434 PolarHBondContact N-O 3.02Å; W381-V434 PolarHBondContact O-N 3.13Å; W381-Y439 HydrophobicContact CB-CD1 4.13Å; W381-Y439 HydrophobicContact CB-CD2 3.85Å; W381-Y439 HydrophobicContact CB-CE1 4.34Å; W381-Y439 HydrophobicContact CB-CE2 4.1Å; W381-Y439 HydrophobicContact CB-CG 3.88Å; W381-Y439 AromaticContact CD1-CE2 3.96Å; W381-Y439 AromaticContact CD1-CZ 3.78Å; W381-Y439 AromaticContact CD2-CD2 3.9Å; W381-Y439 HydrophobicContact CD2-CD2 3.9Å; W381-Y439 AromaticContact CD2-CE2 3.56Å; W381-Y439 HydrophobicContact CD2-CE2 3.56Å; W381-Y439 AromaticContact CE2-CE2 3.87Å; W381-Y439 HydrophobicContact CE3-CD2 4.03Å; W381-Y439 AromaticContact CE3-CE2 4Å; W381-Y439 HydrophobicContact CE3-CE2 4Å; W381-Y439 AromaticContact CG-CD2 3.85Å; W381-Y439 HydrophobicContact CG-CD2 3.85Å; W381-Y439 HydrophobicContact CG-CE1 4.3Å; W381-Y439 AromaticContact CG-CE2 3.61Å; W381-Y439 HydrophobicContact CG-CE2 3.61Å; W381-Y439 HydrophobicContact CG-CG 4.31Å; W381-Y439 AromaticContact CG-CZ 3.85Å
382S91.2Very high86.8Confident5 Ų537 Ų374%0.03520%0.202CC..EExtended strand (participates in β ladder)trans-134.6133.1-163.7-61.90000111.9A406 F407 L432S382-A406 CarbonylContact O-C 3.59Å; S382-A406 WeakPolarHBondContact O-CA 3.48Å; S382-F407 PolarHBondContact N-O 3.16Å; S382-F407 WeakPolarHBondContact O-CD1 3.36Å; S382-F407 PolarHBondContact O-N 2.84Å; S382-L432 CarbonylContact C-O 3.58Å; S382-L432 VanDerWaalsContact CA-O 3.27Å; S382-L432 WeakPolarHBondContact CA-O 3.3Å
383V90.2Very high86.5Confident0 Ų038.1 Ų38.10%021%0.207CC..EExtended strand (participates in β ladder)trans-120.3131.9-179.5-175.50000110.3A343 F344 W381 L385 D405 A406 F431 L432A343-V383 HydrophobicContact CB-CB 4.39Å; A343-V383 HydrophobicContact CB-CG1 3.71Å; A343-V383 HydrophobicContact CB-CG2 3.7Å; F344-V383 HydrophobicContact CE2-CB 4.45Å; F344-V383 HydrophobicContact CE2-CG1 4.36Å; F344-V383 HydrophobicContact CE2-CG2 3.95Å; F344-V383 HydrophobicContact CZ-CG2 4.38Å; W381-V383 HydrophobicContact CD2-CG2 4.48Å; W381-V383 HydrophobicContact CE3-CG2 4.27Å; W381-V383 HydrophobicContact CH2-CG2 3.5Å; W381-V383 HydrophobicContact CZ2-CG2 3.69Å; W381-V383 HydrophobicContact CZ3-CG2 3.8Å; V383-L385 PolarHBondContact O-N 3.28Å; V383-D405 WeakPolarHBondContact CA-O 3.37Å; V383-A406 HydrophobicContact CG2-CB 4Å; V383-F431 CarbonylContact O-C 3.59Å; V383-F431 WeakPolarHBondContact O-CA 3.37Å; V383-L432 HydrophobicContact CB-CB 4.34Å; V383-L432 PolarHBondContact N-O 3.14Å; V383-L432 PolarHBondContact O-N 3.43Å
384V87.4Confident85.8Confident0 Ų039 Ų390%022%0.217CC..EExtended strand (participates in β ladder)trans-73.4120.5178.2-173.70000109.9N386 T402 R403 G404 D405 F407 F431V384-N386 WeakPolarHBondContact CG1-O 3.31Å; V384-T402 WeakPolarHBondContact CB-O 3.46Å; V384-R403 WeakPolarHBondContact O-CA 3.21Å; V384-G404 PolarHBondContact O-N 3.06Å; V384-D405 PolarHBondContact N-O 3.23Å; V384-F407 HydrophobicContact CG2-CD1 4.42Å; V384-F407 HydrophobicContact CG2-CE1 3.97Å; V384-F431 HydrophobicContact CG2-CD1 4.19Å; V384-F431 HydrophobicContact CG2-CE1 4.13Å
385L82.9Confident85.4Confident11 Ų1141.4 Ų41.46%0.05823%0.23CC..EExtended strand (participates in β ladder)trans-94.7-31.8173.2-84.7-170.1000113.6W316 I319 L341 L361 V383 R403 H430 L432W316-L385 HydrophobicContact CH2-CD1 4.37Å; W316-L385 HydrophobicContact CZ3-CD1 4.4Å; I319-L385 HydrophobicContact CD1-CD1 3.75Å; L341-L385 HydrophobicContact CD1-CD2 3.66Å; L361-L385 HydrophobicContact CD1-CD1 3.84Å; V383-L385 PolarHBondContact O-N 3.28Å; L385-R403 WeakPolarHBondContact O-CD 3.5Å; L385-R403 VanDerWaalsContact O-CG 3.28Å; L385-R403 WeakPolarHBondContact O-CG 3.16Å; L385-R403 PolarHBondContact O-NE 3.39Å; L385-R403 VanDerWaalsContact O-NE 3.12Å; L385-H430 HydrophobicContact CB-CB 3.98Å; L385-H430 PolarHBondContact N-O 3.17Å; L385-L432 HydrophobicContact CD1-CD1 3.87Å; L385-L432 HydrophobicContact CD1-CD2 4.43Å; L385-L432 HydrophobicContact CD1-CG 3.63Å; L385-L432 HydrophobicContact CD2-CD1 3.91Å; L385-L432 HydrophobicContact CD2-CG 4.4Å; L385-L432 HydrophobicContact CG-CB 4.49Å; L385-L432 HydrophobicContact CG-CD1 3.91Å; L385-L432 HydrophobicContact CG-CG 3.83Å
386N82.7Confident84.9Confident69 Ų6943.5 Ų43.537%0.36924%0.241SC..EExtended strand (participates in β ladder)trans-151.5153179.9-169.151.8000110.6V384 D428 C429 H430V384-N386 WeakPolarHBondContact CG1-O 3.31Å; N386-D428 PolarHBondContact ND2-O 2.86Å; N386-C429 WeakPolarHBondContact O-CA 3.44Å; N386-H430 HydrophobicContact CB-CB 3.73Å; N386-H430 PolarHBondContact N-O 3.09Å; N386-H430 PolarHBondContact O-N 3.39Å
387G80.4Confident84.2Confident13 Ų1340.9 Ų40.913%0.13423%0.23CC..SBendtrans75.8-173.9-179.800000114.4T426G387-T426 WeakPolarHBondContact CA-OG1 3.4Å
388T83.3Confident83.9Confident32 Ų3238.3 Ų38.320%0.19621%0.213CC..  trans-131.3138.2179.8-59.20000109.5E400 L401 T402 V425 T426 C429T388-E400 HydrophobicContact CG2-CB 4.25Å; T388-E400 HydrophobicContact CG2-CG 4.46Å; T388-L401 WeakPolarHBondContact CA-O 3.33Å; T388-T402 HydrophobicContact CG2-CG2 4.23Å; T388-V425 HydrophobicContact CG2-CB 4.2Å; T388-V425 HydrophobicContact CG2-CG2 4.08Å; T388-V425 WeakPolarHBondContact O-CB 3.28Å; T388-V425 PolarHBondContact O-N 2.7Å; T388-T426 PolarHBondContact N-OG1 2.74Å; T388-T426 PolarHBondContact O-N 3.44Å; T388-C429 PolarHBondContact O-SG 3.43Å
389V87.7Confident83.5Confident0 Ų040.1 Ų40.10%022%0.219CC..EExtended strand (participates in β ladder)trans-115.7150.6168.7-64.70000110.2V371 E400 L401 M422 R423 T424 F431V371-V389 HydrophobicContact CG2-CG1 4.19Å; V389-E400 CarbonylContact O-C 3.56Å; V389-E400 WeakPolarHBondContact O-CA 3.46Å; V389-L401 HydrophobicContact CG2-CB 3.75Å; V389-L401 HydrophobicContact CG2-CD1 4.25Å; V389-L401 HydrophobicContact CG2-CG 4.34Å; V389-L401 PolarHBondContact N-O 3.11Å; V389-L401 PolarHBondContact O-N 3.47Å; V389-M422 HydrophobicContact CB-CG 3.83Å; V389-M422 HydrophobicContact CB-SD 4.11Å; V389-M422 HydrophobicContact CG1-CG 4.32Å; V389-M422 HydrophobicContact CG1-SD 4.28Å; V389-M422 HydrophobicContact CG2-CE 4.14Å; V389-M422 HydrophobicContact CG2-CG 4.02Å; V389-M422 HydrophobicContact CG2-SD 3.79Å; V389-R423 CarbonylContact C-O 3.47Å; V389-R423 VanDerWaalsContact CA-O 3.26Å; V389-R423 WeakPolarHBondContact CA-O 3.45Å; V389-R423 WeakPolarHBondContact CB-O 2.98Å; V389-T424 HydrophobicContact CG1-CG2 4.31Å; V389-F431 HydrophobicContact CG1-CE1 3.79Å; V389-F431 HydrophobicContact CG1-CZ 3.56Å
390E89.1Confident83.3Confident18 Ų1840.3 Ų40.38%0.08422%0.217CC..EExtended strand (participates in β ladder)trans-116.8134.9170.970.5-175.4116.800110I392 I398 R399 E400 M422 R423 V425E390-I392 HydrophobicContact CG-CG1 4.3Å; E390-I398 HydrophobicContact CB-CG2 3.75Å; E390-I398 HydrophobicContact CG-CG2 4.29Å; E390-I398 WeakPolarHBondContact OE2-CG2 3.37Å; E390-R399 CarbonylContact C-O 3.57Å; E390-R399 VanDerWaalsContact CA-O 3.32Å; E390-R399 WeakPolarHBondContact CA-O 3.48Å; E390-E400 HydrophobicContact CB-CG 4.28Å; E390-M422 CarbonylContact O-C 3.53Å; E390-M422 VanDerWaalsContact O-CA 3.28Å; E390-M422 WeakPolarHBondContact O-CA 3.26Å; E390-R423 VanDerWaalsContact CD-CZ 3.49Å; E390-R423 HydrophobicContact CG-CG 3.57Å; E390-R423 PolarHBondContact N-O 3.36Å; E390-R423 PolarHBondContact O-N 3.13Å; E390-R423 IonicContact OE1-CZ 2.89Å; E390-R423 IonicContact OE1-NE 2.89Å; E390-R423 PolarHBondContact OE1-NE 2.91Å; E390-R423 IonicContact OE1-NH2 3.67Å; E390-R423 PolarHBondContact OE1-NH2 2.96Å; E390-R423 IonicContact OE2-CZ 2.7Å; E390-R423 IonicContact OE2-NE 3.53Å; E390-R423 IonicContact OE2-NH2 3.67Å; E390-R423 PolarHBondContact OE2-NH2 2.86Å; E390-V425 HydrophobicContact CB-CG2 3.67Å; E390-V425 HydrophobicContact CG-CG2 3.79Å
391V87Confident83Confident4 Ų439.8 Ų39.82%0.02421%0.212CC..EExtended strand (participates in β ladder)trans-104.5114.9174.4-175.90000108.1I398 R399 L401 H419 M422V391-I398 WeakPolarHBondContact O-CA 3.36Å; V391-R399 HydrophobicContact CB-CB 4.44Å; V391-R399 PolarHBondContact N-O 3.39Å; V391-R399 PolarHBondContact O-N 3.06Å; V391-L401 HydrophobicContact CG2-CD1 4.46Å; V391-H419 WeakPolarHBondContact CG1-O 3.38Å; V391-M422 HydrophobicContact CG2-CB 4.07Å; V391-M422 HydrophobicContact CG2-CE 3.63Å; V391-M422 HydrophobicContact CG2-CG 4.07Å
392I85.7Confident82.7Confident36 Ų3642 Ų4219%0.18523%0.228CC..EExtended strand (participates in β ladder)trans-99.2100.2-178.4-51.4176.8000108.2E390 T397 I398 G420 V421E390-I392 HydrophobicContact CG-CG1 4.3Å; I392-T397 CarbonylContact C-O 3.55Å; I392-T397 WeakPolarHBondContact CA-O 3.48Å; I392-I398 HydrophobicContact CG1-CG1 4.34Å; I392-I398 HydrophobicContact CG2-CG1 4.49Å; I392-G420 CarbonylContact O-C 3.57Å; I392-G420 WeakPolarHBondContact O-CA 3.31Å; I392-V421 PolarHBondContact N-O 3.32Å; I392-V421 PolarHBondContact O-N 3.48Å
393E81.8Confident82Confident48 Ų4850 Ų5022%0.22426%0.257CS..  trans-69161177.8-68.5-150.1144.100112.6D395 D396 T397 R399E393-D395 WeakPolarHBondContact CB-OD1 3.45Å; E393-D395 PolarHBondContact O-N 2.96Å; E393-D396 PolarHBondContact O-N 2.99Å; E393-T397 WeakPolarHBondContact CB-OG1 3.33Å; E393-T397 PolarHBondContact N-O 2.99Å; E393-R399 VanDerWaalsContact CD-NH2 3.29Å; E393-R399 VanDerWaalsContact CG-NH2 3.31Å; E393-R399 IonicContact OE1-CZ 2.74Å; E393-R399 IonicContact OE1-NH1 3.17Å; E393-R399 PolarHBondContact OE1-NH1 3.13Å; E393-R399 IonicContact OE1-NH2 3.53Å; E393-R399 PolarHBondContact OE1-NH2 2.86Å; E393-R399 IonicContact OE2-NH1 2.74Å
394P75.7Confident81.1Confident103 Ų10350.1 Ų50.167%0.66926%0.258SS*.THydrogen-bonded Turntrans-62.4-1.1-178.5-25.136.6000116.5
395D79.9Confident80.9Confident103 Ų10351 Ų5155%0.55126%0.263SS*.THydrogen-bonded Turntrans-106.715.3175.773.4-19.8000113.4E393 T397E393-D395 WeakPolarHBondContact CB-OD1 3.45Å; E393-D395 PolarHBondContact O-N 2.96Å; D395-T397 VanDerWaalsContact CG-CG2 3.5Å; D395-T397 PolarHBondContact O-N 3.16Å; D395-T397 VanDerWaalsContact OD1-CB 3.24Å; D395-T397 WeakPolarHBondContact OD1-CB 3.37Å; D395-T397 VanDerWaalsContact OD1-CG2 3.27Å; D395-T397 WeakPolarHBondContact OD1-CG2 3.47Å; D395-T397 PolarHBondContact OD1-N 2.82Å; D395-T397 PolarHBondContact OD1-OG1 2.73Å; D395-T397 WeakPolarHBondContact OD2-CG2 3.42Å
396D73.5Confident81Confident131 Ų13152.2 Ų52.270%0.70128%0.275SS*.SBendtrans58.324.1-171.5-66.9-43.6000113.5R111 E393R111-D396 PolarHBondContact NH2-O 3.16Å; E393-D396 PolarHBondContact O-N 2.99Å
397T72.1Confident81.2Confident22 Ų2250 Ų5014%0.13526%0.262CS..  trans-78.9137.1163.265.30000111.2R111 I392 E393 D395R111-T397 HydrophobicContact CG-CG2 4Å; I392-T397 CarbonylContact C-O 3.55Å; I392-T397 WeakPolarHBondContact CA-O 3.48Å; E393-T397 WeakPolarHBondContact CB-OG1 3.33Å; E393-T397 PolarHBondContact N-O 2.99Å; D395-T397 VanDerWaalsContact CG-CG2 3.5Å; D395-T397 PolarHBondContact O-N 3.16Å; D395-T397 VanDerWaalsContact OD1-CB 3.24Å; D395-T397 WeakPolarHBondContact OD1-CB 3.37Å; D395-T397 VanDerWaalsContact OD1-CG2 3.27Å; D395-T397 WeakPolarHBondContact OD1-CG2 3.47Å; D395-T397 PolarHBondContact OD1-N 2.82Å; D395-T397 PolarHBondContact OD1-OG1 2.73Å; D395-T397 WeakPolarHBondContact OD2-CG2 3.42Å
398I78.3Confident81.4Confident42 Ų4249.9 Ų49.922%0.21526%0.261CS..EExtended strand (participates in β ladder)trans-118.7123.2-177.3-52.3179.6000107.3R111 E390 V391 I392R111-I398 VanDerWaalsContact CZ-N 3.32Å; R111-I398 PolarHBondContact NH1-O 3.47Å; E390-I398 HydrophobicContact CB-CG2 3.75Å; E390-I398 HydrophobicContact CG-CG2 4.29Å; E390-I398 WeakPolarHBondContact OE2-CG2 3.37Å; V391-I398 WeakPolarHBondContact O-CA 3.36Å; I392-I398 HydrophobicContact CG1-CG1 4.34Å; I392-I398 HydrophobicContact CG2-CG1 4.49Å
399R75.8Confident81.4Confident51 Ų5148.4 Ų48.419%0.19225%0.252CS..EExtended strand (participates in β ladder)trans-112.5122.4172.9-59.9-178.6-68.5-132.8-13.3109.5E90 E390 V391 E393 H419E90-R399 VanDerWaalsContact CD-CD 3.45Å; E90-R399 VanDerWaalsContact OE1-CD 3.24Å; E90-R399 WeakPolarHBondContact OE1-CD 3.26Å; E90-R399 IonicContact OE1-CZ 3.14Å; E90-R399 IonicContact OE1-NE 2.73Å; E90-R399 IonicContact OE1-NH1 2.67Å; E90-R399 PolarHBondContact OE1-NH1 2.85Å; E90-R399 WeakPolarHBondContact OE2-CD 3.48Å; E390-R399 CarbonylContact C-O 3.57Å; E390-R399 VanDerWaalsContact CA-O 3.32Å; E390-R399 WeakPolarHBondContact CA-O 3.48Å; V391-R399 HydrophobicContact CB-CB 4.44Å; V391-R399 PolarHBondContact N-O 3.39Å; V391-R399 PolarHBondContact O-N 3.06Å; E393-R399 VanDerWaalsContact CD-NH2 3.29Å; E393-R399 VanDerWaalsContact CG-NH2 3.31Å; E393-R399 IonicContact OE1-CZ 2.74Å; E393-R399 IonicContact OE1-NH1 3.17Å; E393-R399 PolarHBondContact OE1-NH1 3.13Å; E393-R399 IonicContact OE1-NH2 3.53Å; E393-R399 PolarHBondContact OE1-NH2 2.86Å; E393-R399 IonicContact OE2-NH1 2.74Å; R399-H419 PolarHBondContact NH2-O 3.35Å
400E83.7Confident80.7Confident108 Ų10855.4 Ų55.451%0.50528%0.278SS..EExtended strand (participates in β ladder)trans-89.6136.2173.2-70.1170.9-172.700110.1T388 V389 E390T388-E400 HydrophobicContact CG2-CB 4.25Å; T388-E400 HydrophobicContact CG2-CG 4.46Å; V389-E400 CarbonylContact O-C 3.56Å; V389-E400 WeakPolarHBondContact O-CA 3.46Å; E390-E400 HydrophobicContact CB-CG 4.28Å
401L82.5Confident79.7Confident22 Ų2258.8 Ų58.812%0.11530%0.296CS..EExtended strand (participates in β ladder)trans-116.5136.9169.1-54175.9000108.9T388 V389 V391 D405 F407 M422T388-L401 WeakPolarHBondContact CA-O 3.33Å; V389-L401 HydrophobicContact CG2-CB 3.75Å; V389-L401 HydrophobicContact CG2-CD1 4.25Å; V389-L401 HydrophobicContact CG2-CG 4.34Å; V389-L401 PolarHBondContact N-O 3.11Å; V389-L401 PolarHBondContact O-N 3.47Å; V391-L401 HydrophobicContact CG2-CD1 4.46Å; L401-D405 HydrophobicContact CB-CB 4.07Å; L401-D405 HydrophobicContact CD2-CB 4.3Å; L401-F407 HydrophobicContact CD1-CB 4.04Å; L401-F407 HydrophobicContact CD1-CD1 3.98Å; L401-F407 HydrophobicContact CD1-CG 4.22Å; L401-M422 HydrophobicContact CD1-CE 3.88Å
402T84.9Confident78.5Confident64 Ų6462.2 Ų62.239%0.39333%0.332SS..  trans-125.9173.4-169.363.60000111.4V384 T388 G404 D405V384-T402 WeakPolarHBondContact CB-O 3.46Å; T388-T402 HydrophobicContact CG2-CG2 4.23Å; T402-G404 PolarHBondContact O-N 3.2Å; T402-G404 VanDerWaalsContact O-N 3.09Å; T402-D405 PolarHBondContact N-OD2 2.93Å; T402-D405 VanDerWaalsContact O-CB 3.31Å; T402-D405 WeakPolarHBondContact O-CB 3.49Å; T402-D405 PolarHBondContact O-N 2.79Å; T402-D405 PolarHBondContact OG1-OD2 3.14Å
403R76.9Confident77.2Confident173 Ų17367.7 Ų67.765%0.65336%0.355SS*.THydrogen-bonded Turntrans-50.6116.9179178.4174.4-176.2-153.1-4.8112.4V384 L385V384-R403 WeakPolarHBondContact O-CA 3.21Å; L385-R403 WeakPolarHBondContact O-CD 3.5Å; L385-R403 VanDerWaalsContact O-CG 3.28Å; L385-R403 WeakPolarHBondContact O-CG 3.16Å; L385-R403 PolarHBondContact O-NE 3.39Å; L385-R403 VanDerWaalsContact O-NE 3.12Å
404G71.2Confident75.8Confident2 Ų271.4 Ų71.42%0.02138%0.381CS..THydrogen-bonded Turntrans106.9-17.8-178.200000114.7V384 T402V384-G404 PolarHBondContact O-N 3.06Å; T402-G404 PolarHBondContact O-N 3.2Å; T402-G404 VanDerWaalsContact O-N 3.09Å
405D82.9Confident75.3Confident18 Ų1872.9 Ų72.910%0.09638%0.383CS..  trans-70.5147.5174.5-73.7-61.9000112.1S92 V383 V384 L401 T402S92-D405 WeakPolarHBondContact CA-OD1 3.29Å; S92-D405 WeakPolarHBondContact CB-OD1 3.4Å; S92-D405 VanDerWaalsContact OG-CG 3.31Å; S92-D405 PolarHBondContact OG-OD1 3.42Å; V383-D405 WeakPolarHBondContact CA-O 3.37Å; V384-D405 PolarHBondContact N-O 3.23Å; L401-D405 HydrophobicContact CB-CB 4.07Å; L401-D405 HydrophobicContact CD2-CB 4.3Å; T402-D405 PolarHBondContact N-OD2 2.93Å; T402-D405 VanDerWaalsContact O-CB 3.31Å; T402-D405 WeakPolarHBondContact O-CB 3.49Å; T402-D405 PolarHBondContact O-N 2.79Å; T402-D405 PolarHBondContact OG1-OD2 3.14Å
406A85.8Confident75Confident37 Ų3768.6 Ų68.631%0.30636%0.361SS..EExtended strand (participates in β ladder)trans-122134.6-179.300000112.7A343 W381 S382 V383A343-A406 HydrophobicContact CB-CB 3.85Å; W381-A406 HydrophobicContact CZ2-CB 4.2Å; S382-A406 CarbonylContact O-C 3.59Å; S382-A406 WeakPolarHBondContact O-CA 3.48Å; V383-A406 HydrophobicContact CG2-CB 4Å
407F87.7Confident75.4Confident22 Ų2265.7 Ų65.710%0.09635%0.345CS..EExtended strand (participates in β ladder)trans-135.4-177.2178.764.7-85.8000111.3L372 S382 V384 L401 M422 F431L372-F407 HydrophobicContact CD1-CD2 4.07Å; L372-F407 HydrophobicContact CD1-CE2 3.9Å; S382-F407 PolarHBondContact N-O 3.16Å; S382-F407 WeakPolarHBondContact O-CD1 3.36Å; S382-F407 PolarHBondContact O-N 2.84Å; V384-F407 HydrophobicContact CG2-CD1 4.42Å; V384-F407 HydrophobicContact CG2-CE1 3.97Å; L401-F407 HydrophobicContact CD1-CB 4.04Å; L401-F407 HydrophobicContact CD1-CD1 3.98Å; L401-F407 HydrophobicContact CD1-CG 4.22Å; F407-M422 HydrophobicContact CD1-CE 4.3Å; F407-M422 HydrophobicContact CD2-CE 3.74Å; F407-M422 HydrophobicContact CD2-SD 4.48Å; F407-M422 HydrophobicContact CE1-CE 4.38Å; F407-M422 HydrophobicContact CE2-CE 3.83Å; F407-M422 HydrophobicContact CE2-SD 3.96Å; F407-M422 HydrophobicContact CG-CE 3.99Å; F407-M422 HydrophobicContact CZ-CE 4.15Å; F407-M422 HydrophobicContact CZ-SD 4Å; F407-F431 AromaticContact CE1-CD1 3.78Å; F407-F431 HydrophobicContact CE1-CD1 3.78Å; F407-F431 HydrophobicContact CE1-CE1 4.05Å; F407-F431 AromaticContact CZ-CD1 3.7Å; F407-F431 HydrophobicContact CZ-CD1 3.7Å; F407-F431 AromaticContact CZ-CE1 3.97Å; F407-F431 HydrophobicContact CZ-CE1 3.97Å
408G84.5Confident76.1Confident11 Ų1165.4 Ų65.411%0.11334%0.342CS..EExtended strand (participates in β ladder)trans90.8-148.5-176.800000113.3T380T380-G408 CarbonylContact O-C 3.59Å; T380-G408 VanDerWaalsContact O-CA 3.24Å; T380-G408 WeakPolarHBondContact O-CA 3.38Å
409V81.6Confident76.2Confident1 Ų168 Ų681%0.00635%0.353CS..  trans-63.7136.6-170.9177.20000112.7L378 T380 Q436L378-V409 HydrophobicContact CB-CG2 4.02Å; L378-V409 WeakPolarHBondContact O-CG2 3.25Å; T380-V409 PolarHBondContact O-N 3.22Å; V409-Q436 HydrophobicContact CG1-CG 4.07Å; V409-Q436 HydrophobicContact CG2-CB 4.15Å; V409-Q436 HydrophobicContact CG2-CG 4.23Å
410R73.9Confident76.7Confident148 Ų14865.5 Ų65.556%0.55834%0.344SS*.  trans-116.6147174.5-64.1180175.5-170.6-5.8110.4S91S91-R410 PolarHBondContact OG-NH2 2.9Å
411L68.3Low77Confident88 Ų8862.6 Ų62.646%0.46133%0.333SS..THydrogen-bonded Turntrans-66144.2-177.3-59171.4000111.7Y439 V440 M443L411-Y439 HydrophobicContact CD2-CD1 4.27Å; L411-Y439 HydrophobicContact CD2-CE1 3.87Å; L411-Y439 HydrophobicContact CG-CE1 4.17Å; L411-V440 HydrophobicContact CD2-CG2 4.34Å; L411-M443 HydrophobicContact CD1-CB 3.77Å; L411-M443 HydrophobicContact CD1-CE 3.97Å; L411-M443 HydrophobicContact CD1-CG 4.24Å; L411-M443 HydrophobicContact CD2-CB 3.72Å; L411-M443 HydrophobicContact CD2-CG 4.2Å; L411-M443 HydrophobicContact CG-CB 4.34Å
412G61.6Low77.4Confident76 Ų7661.5 Ų61.578%0.78433%0.327SS*.THydrogen-bonded Turntrans90.5-2.217300000116.4
413K59.4Low77.6Confident151 Ų15162.9 Ų62.966%0.65733%0.325SS*.  trans-114.4123.9167-70-174.6178.9-176.10110.6
414T52.3Low78.2Confident127 Ų12754.7 Ų54.778%0.77930%0.295SS*.SBendtrans-70.4139.315248.60000107.8
415D65.3Low78.9Confident134 Ų13457.4 Ų57.472%0.71731%0.31SS*.SBendtrans5982.7-179.3-46.7-29.2000113.9
416C72.4Confident78.8Confident12 Ų1259 Ų598%0.08132%0.321CS..  trans-87134.6165.6-69.10000109.6L378L378-C416 HydrophobicContact CB-CB 4.1Å; L378-C416 HydrophobicContact CD1-CB 4.22Å; L378-C416 PolarHBondContact N-O 3.05Å
417I82.4Confident78.5Confident70 Ų7063.8 Ų63.836%0.35934%0.337SS..BIsolated β-bridgetrans-117.5152.7171.156.9174.5000110.3N375 E376 V377N375-I417 HydrophobicContact CB-CD1 4.47Å; E376-I417 CarbonylContact O-C 3.54Å; E376-I417 WeakPolarHBondContact O-CA 3.36Å; V377-I417 HydrophobicContact CG2-CG2 4.24Å
418H85.9Confident78.3Confident16 Ų1666.1 Ų66.17%0.07435%0.35CS..  trans-75.8147.1170.2-16650.8000110.3L372 N375 E376 L378 G420 M422L372-H418 HydrophobicContact CB-CB 4.46Å; L372-H418 VanDerWaalsContact CB-CD2 3.42Å; L372-H418 WeakPolarHBondContact CB-CD2 3.32Å; L372-H418 HydrophobicContact CD1-CB 4.48Å; N375-H418 VanDerWaalsContact CA-O 3.22Å; N375-H418 WeakPolarHBondContact CA-O 3.4Å; N375-H418 PolarHBondContact N-O 3.44Å; E376-H418 PolarHBondContact O-N 3.33Å; L378-H418 HydrophobicContact CD1-CB 4.46Å; L378-H418 HydrophobicContact CD2-CB 4.01Å; L378-H418 HydrophobicContact CG-CB 4.26Å; H418-G420 PolarHBondContact CD2-O 2.76Å; H418-G420 PolarHBondContact NE2-O 3.35Å; H418-M422 WeakPolarHBondContact NE2-CB 3.26Å
419H82.1Confident78.3Confident96 Ų9665.6 Ų65.644%0.44435%0.345SS..  trans-124.6124.5176.2-71.1-51.1000108.8V391 R399V391-H419 WeakPolarHBondContact CG1-O 3.38Å; R399-H419 PolarHBondContact NH2-O 3.35Å
420G86.2Confident78.7Confident0 Ų066.9 Ų66.90%035%0.351CS..SBendtrans84.3171.5-165.200000114.1N373 D374 I392 H418N373-G420 CarbonylContact C-O 3.51Å; D374-G420 WeakPolarHBondContact CA-O 3.18Å; D374-G420 PolarHBondContact N-O 3.42Å; D374-G420 PolarHBondContact OD1-N 2.93Å; I392-G420 CarbonylContact O-C 3.57Å; I392-G420 WeakPolarHBondContact O-CA 3.31Å; H418-G420 PolarHBondContact CD2-O 2.76Å; H418-G420 PolarHBondContact NE2-O 3.35Å
421V89.4Confident79.5Confident46 Ų4660.1 Ų60.128%0.27933%0.326SS..EExtended strand (participates in β ladder)trans-98.6115.2175.4-178.80000108.4I370 D374 I392I370-V421 HydrophobicContact CB-CG1 4.46Å; I370-V421 HydrophobicContact CD1-CG1 3.87Å; I370-V421 HydrophobicContact CG1-CG1 3.88Å; I370-V421 HydrophobicContact CG2-CG1 3.79Å; D374-V421 HydrophobicContact CB-CG2 4.05Å; I392-V421 PolarHBondContact N-O 3.32Å; I392-V421 PolarHBondContact O-N 3.48Å
422M90.9Very high80.6Confident0 Ų056 Ų560%030%0.304CS..EExtended strand (participates in β ladder)trans-81126.5171.6-174-179.1-73.300110.1I370 V371 L372 V389 E390 V391 L401 F407 H418I370-M422 CarbonylContact C-O 3.53Å; I370-M422 WeakPolarHBondContact CA-O 3.08Å; V371-M422 HydrophobicContact CB-CB 4.26Å; V371-M422 HydrophobicContact CB-CG 3.91Å; V371-M422 HydrophobicContact CB-SD 3.87Å; V371-M422 HydrophobicContact CG1-SD 3.89Å; V371-M422 HydrophobicContact CG2-CG 4.25Å; V371-M422 HydrophobicContact CG2-SD 4.43Å; V371-M422 PolarHBondContact N-O 3.38Å; L372-M422 HydrophobicContact CB-CB 4.04Å; L372-M422 HydrophobicContact CD1-CE 4.29Å; L372-M422 HydrophobicContact CD1-SD 4.36Å; L372-M422 PolarHBondContact N-O 3.21Å; L372-M422 PolarHBondContact O-N 3.45Å; V389-M422 HydrophobicContact CB-CG 3.83Å; V389-M422 HydrophobicContact CB-SD 4.11Å; V389-M422 HydrophobicContact CG1-CG 4.32Å; V389-M422 HydrophobicContact CG1-SD 4.28Å; V389-M422 HydrophobicContact CG2-CE 4.14Å; V389-M422 HydrophobicContact CG2-CG 4.02Å; V389-M422 HydrophobicContact CG2-SD 3.79Å; E390-M422 CarbonylContact O-C 3.53Å; E390-M422 VanDerWaalsContact O-CA 3.28Å; E390-M422 WeakPolarHBondContact O-CA 3.26Å; V391-M422 HydrophobicContact CG2-CB 4.07Å; V391-M422 HydrophobicContact CG2-CE 3.63Å; V391-M422 HydrophobicContact CG2-CG 4.07Å; L401-M422 HydrophobicContact CD1-CE 3.88Å; F407-M422 HydrophobicContact CD1-CE 4.3Å; F407-M422 HydrophobicContact CD2-CE 3.74Å; F407-M422 HydrophobicContact CD2-SD 4.48Å; F407-M422 HydrophobicContact CE1-CE 4.38Å; F407-M422 HydrophobicContact CE2-CE 3.83Å; F407-M422 HydrophobicContact CE2-SD 3.96Å; F407-M422 HydrophobicContact CG-CE 3.99Å; F407-M422 HydrophobicContact CZ-CE 4.15Å; F407-M422 HydrophobicContact CZ-SD 4Å; H418-M422 WeakPolarHBondContact NE2-CB 3.26Å
423R89.9Confident82.1Confident93 Ų9353.6 Ų53.635%0.35128%0.275SS..EExtended strand (participates in β ladder)trans-127.6154.4168.171.4178.6-170-145-7.3111.8Q369 I370 V389 E390Q369-R423 CarbonylContact O-C 3.54Å; Q369-R423 VanDerWaalsContact O-CA 3.24Å; Q369-R423 WeakPolarHBondContact O-CA 3.32Å; I370-R423 HydrophobicContact CG1-CB 4.47Å; V389-R423 CarbonylContact C-O 3.47Å; V389-R423 VanDerWaalsContact CA-O 3.26Å; V389-R423 WeakPolarHBondContact CA-O 3.45Å; V389-R423 WeakPolarHBondContact CB-O 2.98Å; E390-R423 VanDerWaalsContact CD-CZ 3.49Å; E390-R423 HydrophobicContact CG-CG 3.57Å; E390-R423 PolarHBondContact N-O 3.36Å; E390-R423 PolarHBondContact O-N 3.13Å; E390-R423 IonicContact OE1-CZ 2.89Å; E390-R423 IonicContact OE1-NE 2.89Å; E390-R423 PolarHBondContact OE1-NE 2.91Å; E390-R423 IonicContact OE1-NH2 3.67Å; E390-R423 PolarHBondContact OE1-NH2 2.96Å; E390-R423 IonicContact OE2-CZ 2.7Å; E390-R423 IonicContact OE2-NE 3.53Å; E390-R423 IonicContact OE2-NH2 3.67Å; E390-R423 PolarHBondContact OE2-NH2 2.86Å
424T88.6Confident83.6Confident1 Ų146.4 Ų46.41%0.00624%0.244CC..EExtended strand (participates in β ladder)trans-66.2138.8169.151.80000110.8I364 E366 A367 G368 Q369 V371 V389 C429I364-T424 HydrophobicContact CB-CG2 4.14Å; I364-T424 HydrophobicContact CG2-CG2 3.66Å; E366-T424 PolarHBondContact O-OG1 2.93Å; A367-T424 WeakPolarHBondContact CA-OG1 3.45Å; G368-T424 VanDerWaalsContact CA-O 3.29Å; G368-T424 WeakPolarHBondContact CA-O 3.39Å; G368-T424 PolarHBondContact N-O 3.05Å; G368-T424 PolarHBondContact N-OG1 3.2Å; Q369-T424 PolarHBondContact N-OG1 2.91Å; Q369-T424 PolarHBondContact O-N 2.91Å; Q369-T424 PolarHBondContact O-OG1 2.71Å; V371-T424 HydrophobicContact CG2-CG2 3.82Å; V389-T424 HydrophobicContact CG1-CG2 4.31Å; T424-C429 HydrophobicContact CG2-CB 3.77Å; T424-C429 VanDerWaalsContact CG2-SG 3.6Å
425V86.2Confident85.3Confident58 Ų5842.8 Ų42.835%0.35222%0.223SC..SBendtrans-98.1-35.1171.4-174.30000110T388 E390T388-V425 HydrophobicContact CG2-CB 4.2Å; T388-V425 HydrophobicContact CG2-CG2 4.08Å; T388-V425 WeakPolarHBondContact O-CB 3.28Å; T388-V425 PolarHBondContact O-N 2.7Å; E390-V425 HydrophobicContact CB-CG2 3.67Å; E390-V425 HydrophobicContact CG-CG2 3.79Å
426T79.7Confident86.4Confident51 Ų5139.3 Ų39.331%0.31320%0.202SC..SBendtrans-109.5159.1177.562.50000111.4G387 T388 C429G387-T426 WeakPolarHBondContact CA-OG1 3.4Å; T388-T426 PolarHBondContact N-OG1 2.74Å; T388-T426 PolarHBondContact O-N 3.44Å; T426-C429 PolarHBondContact O-SG 3.06Å; T426-C429 PolarHBondContact OG1-SG 3.33Å
427E79.3Confident87Confident138 Ų13843.5 Ų43.565%0.64523%0.227SC*.SBendtrans-69.2163.4165.2-64.5177.2173.900110.8R365 A367 C429R365-E427 CarbonylContact O-C 3.39Å; R365-E427 WeakPolarHBondContact O-CA 3.25Å; R365-E427 VanDerWaalsContact O-CB 3.24Å; R365-E427 WeakPolarHBondContact O-CB 3.43Å; A367-E427 HydrophobicContact CB-CG 3.91Å; E427-C429 VanDerWaalsContact C-N 3.34Å; E427-C429 PolarHBondContact O-N 2.72Å
428D84.1Confident87.3Confident71 Ų7142.1 Ų42.138%0.3822%0.221SC..SBendtrans42.851.1-179.1-74.6-34.9000115.1I364 R365 N386 H430I364-D428 CarbonylContact O-C 3.58Å; I364-D428 WeakPolarHBondContact O-CA 3.22Å; I364-D428 PolarHBondContact O-N 3.01Å; R365-D428 WeakPolarHBondContact CA-OD1 3.14Å; R365-D428 WeakPolarHBondContact CD-OD1 3.4Å; R365-D428 WeakPolarHBondContact CG-OD1 3.15Å; R365-D428 IonicContact NE-OD1 2.72Å; R365-D428 PolarHBondContact O-N 3.43Å; N386-D428 PolarHBondContact ND2-O 2.86Å; D428-H430 PolarHBondContact O-CD2 3.39Å; D428-H430 PolarHBondContact O-N 2.8Å
429C84.8Confident87.4Confident0 Ų042.4 Ų42.40%022%0.221CC..EExtended strand (participates in β ladder)trans-68.4127.6170-71.80000110.8I364 N386 T388 T424 T426 E427 F431I364-C429 HydrophobicContact CB-CB 4.47Å; I364-C429 PolarHBondContact N-O 3.07Å; I364-C429 PolarHBondContact O-N 3.07Å; N386-C429 WeakPolarHBondContact O-CA 3.44Å; T388-C429 PolarHBondContact O-SG 3.43Å; T424-C429 HydrophobicContact CG2-CB 3.77Å; T424-C429 VanDerWaalsContact CG2-SG 3.6Å; T426-C429 PolarHBondContact O-SG 3.06Å; T426-C429 PolarHBondContact OG1-SG 3.33Å; E427-C429 VanDerWaalsContact C-N 3.34Å; E427-C429 PolarHBondContact O-N 2.72Å; C429-F431 HydrophobicContact CB-CE2 3.72Å; C429-F431 HydrophobicContact CB-CZ 3.72Å
430H89.5Confident87.4Confident29 Ų2940.8 Ų40.813%0.13422%0.218CC..EExtended strand (participates in β ladder)trans-117137.5-178-61.9167.3000111.1W316 L361 A362 L385 N386 D428W316-H430 AromaticContact CH2-ND1 3.63Å; L361-H430 HydrophobicContact CD1-CB 4.31Å; A362-H430 WeakPolarHBondContact O-CA 3.33Å; L385-H430 HydrophobicContact CB-CB 3.98Å; L385-H430 PolarHBondContact N-O 3.17Å; N386-H430 HydrophobicContact CB-CB 3.73Å; N386-H430 PolarHBondContact N-O 3.09Å; N386-H430 PolarHBondContact O-N 3.39Å; D428-H430 PolarHBondContact O-CD2 3.39Å; D428-H430 PolarHBondContact O-N 2.8Å
431F91Very high87.2Confident5 Ų546 Ų462%0.02224%0.24CC..EExtended strand (participates in β ladder)trans-132.3137.5-177.4-49.2-89.6000111.6L361 A362 I364 V371 V383 V384 V389 F407 C429L361-F431 CarbonylContact C-O 3.6Å; L361-F431 WeakPolarHBondContact CA-O 3.48Å; A362-F431 HydrophobicContact CB-CB 4.41Å; A362-F431 PolarHBondContact N-O 2.9Å; A362-F431 PolarHBondContact O-N 2.84Å; I364-F431 HydrophobicContact CB-CE2 4.27Å; I364-F431 HydrophobicContact CD1-CD2 4.35Å; I364-F431 HydrophobicContact CD1-CE2 3.7Å; I364-F431 HydrophobicContact CD1-CZ 4.45Å; I364-F431 HydrophobicContact CG1-CD2 4.43Å; I364-F431 HydrophobicContact CG1-CE2 3.91Å; V371-F431 HydrophobicContact CG1-CZ 4.41Å; V383-F431 CarbonylContact O-C 3.59Å; V383-F431 WeakPolarHBondContact O-CA 3.37Å; V384-F431 HydrophobicContact CG2-CD1 4.19Å; V384-F431 HydrophobicContact CG2-CE1 4.13Å; V389-F431 HydrophobicContact CG1-CE1 3.79Å; V389-F431 HydrophobicContact CG1-CZ 3.56Å; F407-F431 AromaticContact CE1-CD1 3.78Å; F407-F431 HydrophobicContact CE1-CD1 3.78Å; F407-F431 HydrophobicContact CE1-CE1 4.05Å; F407-F431 AromaticContact CZ-CD1 3.7Å; F407-F431 HydrophobicContact CZ-CD1 3.7Å; F407-F431 AromaticContact CZ-CE1 3.97Å; F407-F431 HydrophobicContact CZ-CE1 3.97Å; C429-F431 HydrophobicContact CB-CE2 3.72Å; C429-F431 HydrophobicContact CB-CZ 3.72Å
432L91.7Very high87Confident1 Ų144.7 Ų44.71%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-95108.9167.6-92.3177.8000109.7I319 V338 M359 S382 V383 L385I319-L432 HydrophobicContact CD1-CD1 4.23Å; I319-L432 HydrophobicContact CD1-CD2 3.57Å; I319-L432 HydrophobicContact CD1-CG 4.1Å; I319-L432 HydrophobicContact CG1-CD2 3.92Å; V338-L432 HydrophobicContact CG2-CD1 4.14Å; M359-L432 HydrophobicContact CB-CD2 4.02Å; M359-L432 HydrophobicContact CE-CD1 4.16Å; M359-L432 HydrophobicContact CG-CD2 3.92Å; M359-L432 HydrophobicContact SD-CD1 3.78Å; M359-L432 HydrophobicContact SD-CD2 3.58Å; M359-L432 VanDerWaalsContact SD-CD2 3.58Å; M359-L432 HydrophobicContact SD-CG 4.28Å; S382-L432 CarbonylContact C-O 3.58Å; S382-L432 VanDerWaalsContact CA-O 3.27Å; S382-L432 WeakPolarHBondContact CA-O 3.3Å; V383-L432 HydrophobicContact CB-CB 4.34Å; V383-L432 PolarHBondContact N-O 3.14Å; V383-L432 PolarHBondContact O-N 3.43Å; L385-L432 HydrophobicContact CD1-CD1 3.87Å; L385-L432 HydrophobicContact CD1-CD2 4.43Å; L385-L432 HydrophobicContact CD1-CG 3.63Å; L385-L432 HydrophobicContact CD2-CD1 3.91Å; L385-L432 HydrophobicContact CD2-CG 4.4Å; L385-L432 HydrophobicContact CG-CB 4.49Å; L385-L432 HydrophobicContact CG-CD1 3.91Å; L385-L432 HydrophobicContact CG-CG 3.83Å
433C92.3Very high86.4Confident27 Ų2745.5 Ų45.518%0.18224%0.236CC..EExtended strand (participates in β ladder)trans-104.9136.1-177.3-54.70000111.2M359 V360 T380 W381M359-C433 WeakPolarHBondContact CA-O 3.2Å; V360-C433 PolarHBondContact N-O 3.23Å; V360-C433 PolarHBondContact O-N 2.69Å; T380-C433 HydrophobicContact CG2-CB 4.33Å; W381-C433 CarbonylContact O-C 3.53Å; W381-C433 WeakPolarHBondContact O-CA 3.38Å
434V91.5Very high85.5Confident0 Ų044.3 Ų44.30%024%0.242CC..EExtended strand (participates in β ladder)trans-122.1125.7171.4-179.50000108.7L355 V358 M359 T380 W381L355-V434 HydrophobicContact CD2-CG1 4.19Å; L355-V434 HydrophobicContact CD2-CG2 4.31Å; V358-V434 HydrophobicContact CG2-CG1 3.74Å; M359-V434 HydrophobicContact CB-CG2 3.86Å; T380-V434 CarbonylContact C-O 3.53Å; T380-V434 WeakPolarHBondContact CA-O 3.21Å; W381-V434 HydrophobicContact CE3-CB 4.19Å; W381-V434 HydrophobicContact CE3-CG2 3.94Å; W381-V434 HydrophobicContact CZ3-CG2 4.28Å; W381-V434 PolarHBondContact N-O 3.02Å; W381-V434 PolarHBondContact O-N 3.13Å
435P88.6Confident84.5Confident51 Ų5151.7 Ų51.733%0.33127%0.27SS..EExtended strand (participates in β ladder)trans-59.2140.8177.3-24.934.8000112.8T437 D438 Y439P435-T437 PolarHBondContact O-N 3.36Å; P435-T437 VanDerWaalsContact O-N 3.13Å; P435-D438 PolarHBondContact O-N 3.02Å; P435-Y439 PolarHBondContact O-N 3.43Å
436Q87Confident83.5Confident61 Ų6151.2 Ų51.229%0.28526%0.263SS..Hα-helixtrans-49.9-41179.3173.8173.445.500113D379 V409 D438 Y439 V440D379-Q436 WeakPolarHBondContact O-CB 3.46Å; D379-Q436 PolarHBondContact O-N 3.03Å; V409-Q436 HydrophobicContact CG1-CG 4.07Å; V409-Q436 HydrophobicContact CG2-CB 4.15Å; V409-Q436 HydrophobicContact CG2-CG 4.23Å; Q436-D438 VanDerWaalsContact C-N 3.3Å; Q436-D438 PolarHBondContact O-N 3.24Å; Q436-Y439 PolarHBondContact O-N 3.5Å; Q436-V440 HydrophobicContact CG-CG2 4.17Å; Q436-V440 WeakPolarHBondContact O-CB 3.46Å; Q436-V440 VanDerWaalsContact O-CG2 3.32Å; Q436-V440 WeakPolarHBondContact O-CG2 3.42Å; Q436-V440 PolarHBondContact O-N 3.16Å
437T85.7Confident82.2Confident100 Ų10051.9 Ų51.961%0.61328%0.28SS*.Hα-helixtrans-58.7-40.1-179.546.80000112.8P435 K441P435-T437 PolarHBondContact O-N 3.36Å; P435-T437 VanDerWaalsContact O-N 3.13Å; T437-K441 WeakPolarHBondContact O-CB 3.19Å; T437-K441 PolarHBondContact O-N 3.11Å
438D89.2Confident81Confident40 Ų4052.3 Ų52.321%0.21428%0.283CS..Hα-helixtrans-90.5-35.4-178.7-68.3-71.4000111.5V358 P435 Q436 K441 I442V358-D438 HydrophobicContact CG1-CB 4.47Å; V358-D438 HydrophobicContact CG2-CB 4.45Å; P435-D438 PolarHBondContact O-N 3.02Å; Q436-D438 VanDerWaalsContact C-N 3.3Å; Q436-D438 PolarHBondContact O-N 3.24Å; D438-K441 PolarHBondContact O-N 3.14Å; D438-K441 IonicContact OD1-NZ 3.23Å; D438-K441 PolarHBondContact OD1-NZ 3.13Å; D438-I442 WeakPolarHBondContact O-CB 3.31Å; D438-I442 WeakPolarHBondContact O-CD1 3.32Å; D438-I442 WeakPolarHBondContact O-CG1 3.43Å; D438-I442 PolarHBondContact O-N 3.27Å
439Y87.7Confident79.7Confident22 Ų2250.1 Ų50.19%0.08627%0.274CS..Hα-helixtrans-56.1-54.4171.3-178.1-107.7000111.5L355 W381 L411 P435 Q436 K441 I442 M443L355-Y439 HydrophobicContact CD2-CD2 4.07Å; W381-Y439 HydrophobicContact CB-CD1 4.13Å; W381-Y439 HydrophobicContact CB-CD2 3.85Å; W381-Y439 HydrophobicContact CB-CE1 4.34Å; W381-Y439 HydrophobicContact CB-CE2 4.1Å; W381-Y439 HydrophobicContact CB-CG 3.88Å; W381-Y439 AromaticContact CD1-CE2 3.96Å; W381-Y439 AromaticContact CD1-CZ 3.78Å; W381-Y439 AromaticContact CD2-CD2 3.9Å; W381-Y439 HydrophobicContact CD2-CD2 3.9Å; W381-Y439 AromaticContact CD2-CE2 3.56Å; W381-Y439 HydrophobicContact CD2-CE2 3.56Å; W381-Y439 AromaticContact CE2-CE2 3.87Å; W381-Y439 HydrophobicContact CE3-CD2 4.03Å; W381-Y439 AromaticContact CE3-CE2 4Å; W381-Y439 HydrophobicContact CE3-CE2 4Å; W381-Y439 AromaticContact CG-CD2 3.85Å; W381-Y439 HydrophobicContact CG-CD2 3.85Å; W381-Y439 HydrophobicContact CG-CE1 4.3Å; W381-Y439 AromaticContact CG-CE2 3.61Å; W381-Y439 HydrophobicContact CG-CE2 3.61Å; W381-Y439 HydrophobicContact CG-CG 4.31Å; W381-Y439 AromaticContact CG-CZ 3.85Å; L411-Y439 HydrophobicContact CD2-CD1 4.27Å; L411-Y439 HydrophobicContact CD2-CE1 3.87Å; L411-Y439 HydrophobicContact CG-CE1 4.17Å; P435-Y439 PolarHBondContact O-N 3.43Å; Q436-Y439 PolarHBondContact O-N 3.5Å; Y439-K441 VanDerWaalsContact C-N 3.3Å; Y439-K441 PolarHBondContact O-N 2.94Å; Y439-I442 PolarHBondContact O-N 2.88Å; Y439-M443 HydrophobicContact CD1-CG 4.38Å; Y439-M443 HydrophobicContact CD2-CG 3.91Å; Y439-M443 HydrophobicContact CE1-CG 4.14Å; Y439-M443 HydrophobicContact CE2-CG 3.62Å; Y439-M443 HydrophobicContact CE2-SD 4.01Å; Y439-M443 HydrophobicContact CG-CG 4.28Å; Y439-M443 WeakPolarHBondContact O-CB 3.38Å; Y439-M443 WeakPolarHBondContact O-CG 3.39Å; Y439-M443 PolarHBondContact O-N 3.46Å
440V82.5Confident78.8Confident63 Ų6353.9 Ų53.938%0.38229%0.292SS..Hα-helixtrans-63.5-35.8179.7175.20000111.8L411 Q436 S444L411-V440 HydrophobicContact CD2-CG2 4.34Å; Q436-V440 HydrophobicContact CG-CG2 4.17Å; Q436-V440 WeakPolarHBondContact O-CB 3.46Å; Q436-V440 VanDerWaalsContact O-CG2 3.32Å; Q436-V440 WeakPolarHBondContact O-CG2 3.42Å; Q436-V440 PolarHBondContact O-N 3.16Å; V440-S444 WeakPolarHBondContact O-CB 3.38Å; V440-S444 PolarHBondContact O-N 2.99Å; V440-S444 PolarHBondContact O-OG 3.4Å
441K82.3Confident78.2Confident108 Ų10855.3 Ų55.347%0.4730%0.3SS..Hα-helixtrans-73.8-27.3178.7169.1-177.7152.2-151.80114.1T437 D438 Y439 S444 R445T437-K441 WeakPolarHBondContact O-CB 3.19Å; T437-K441 PolarHBondContact O-N 3.11Å; D438-K441 PolarHBondContact O-N 3.14Å; D438-K441 IonicContact OD1-NZ 3.23Å; D438-K441 PolarHBondContact OD1-NZ 3.13Å; Y439-K441 VanDerWaalsContact C-N 3.3Å; Y439-K441 PolarHBondContact O-N 2.94Å; K441-S444 PolarHBondContact O-OG 3.42Å; K441-R445 WeakPolarHBondContact O-CD 3.41Å; K441-R445 WeakPolarHBondContact O-CG 3.48Å; K441-R445 PolarHBondContact O-NE 2.75Å
442I85.7Confident77.5Confident19 Ų1958.5 Ų58.510%0.09732%0.321CS..Hα-helixtrans-80.5-54.4172.6-70.8163.9000109.1T351 S354 L355 V358 D438 Y439 S444 R445T351-I442 HydrophobicContact CG2-CG2 3.91Å; S354-I442 WeakPolarHBondContact O-CD1 3.41Å; L355-I442 HydrophobicContact CD2-CD1 4.06Å; L355-I442 HydrophobicContact CD2-CG2 4.18Å; L355-I442 HydrophobicContact CG-CG2 4.25Å; V358-I442 HydrophobicContact CG1-CD1 4.39Å; V358-I442 HydrophobicContact CG2-CD1 3.67Å; D438-I442 WeakPolarHBondContact O-CB 3.31Å; D438-I442 WeakPolarHBondContact O-CD1 3.32Å; D438-I442 WeakPolarHBondContact O-CG1 3.43Å; D438-I442 PolarHBondContact O-N 3.27Å; Y439-I442 PolarHBondContact O-N 2.88Å; I442-S444 VanDerWaalsContact C-N 3.34Å; I442-S444 PolarHBondContact O-N 3.27Å; I442-R445 WeakPolarHBondContact O-CB 3.5Å; I442-R445 PolarHBondContact O-N 2.87Å; I442-R445 VanDerWaalsContact O-N 3.07Å
443M77.7Confident76.9Confident18 Ų1861.3 Ų61.39%0.08933%0.334CS..Hα-helixtrans-64.2-33.3-176.3-65-58.8-63.500113.5L347 T351 L411 Y439 R445 E446L347-M443 HydrophobicContact CD2-CE 3.73Å; L347-M443 HydrophobicContact CD2-SD 4.29Å; T351-M443 HydrophobicContact CG2-SD 3.62Å; L411-M443 HydrophobicContact CD1-CB 3.77Å; L411-M443 HydrophobicContact CD1-CE 3.97Å; L411-M443 HydrophobicContact CD1-CG 4.24Å; L411-M443 HydrophobicContact CD2-CB 3.72Å; L411-M443 HydrophobicContact CD2-CG 4.2Å; L411-M443 HydrophobicContact CG-CB 4.34Å; Y439-M443 HydrophobicContact CD1-CG 4.38Å; Y439-M443 HydrophobicContact CD2-CG 3.91Å; Y439-M443 HydrophobicContact CE1-CG 4.14Å; Y439-M443 HydrophobicContact CE2-CG 3.62Å; Y439-M443 HydrophobicContact CE2-SD 4.01Å; Y439-M443 HydrophobicContact CG-CG 4.28Å; Y439-M443 WeakPolarHBondContact O-CB 3.38Å; Y439-M443 WeakPolarHBondContact O-CG 3.39Å; Y439-M443 PolarHBondContact O-N 3.46Å; M443-R445 PolarHBondContact O-N 3.35Å; M443-E446 WeakPolarHBondContact CE-OE2 3.28Å; M443-E446 WeakPolarHBondContact O-CB 3.39Å; M443-E446 PolarHBondContact O-N 2.86Å; M443-E446 VanDerWaalsContact O-N 3.15Å
444S71.2Confident76.4Confident68 Ų6865.6 Ų65.648%0.47635%0.353SS..Hα-helixtrans-61.5-26.1174.946.90000113.4V440 K441 I442V440-S444 WeakPolarHBondContact O-CB 3.38Å; V440-S444 PolarHBondContact O-N 2.99Å; V440-S444 PolarHBondContact O-OG 3.4Å; K441-S444 PolarHBondContact O-OG 3.42Å; I442-S444 VanDerWaalsContact C-N 3.34Å; I442-S444 PolarHBondContact O-N 3.27Å
445R67.3Low75.7Confident156 Ų15666.6 Ų66.659%0.58936%0.363SS*.Hα-helixtrans-82-19178.3-63.5171.3172.9-166.7-5113.2K441 I442 M443 G447 E448 A449K441-R445 WeakPolarHBondContact O-CD 3.41Å; K441-R445 WeakPolarHBondContact O-CG 3.48Å; K441-R445 PolarHBondContact O-NE 2.75Å; I442-R445 WeakPolarHBondContact O-CB 3.5Å; I442-R445 PolarHBondContact O-N 2.87Å; I442-R445 VanDerWaalsContact O-N 3.07Å; M443-R445 PolarHBondContact O-N 3.35Å; R445-G447 VanDerWaalsContact C-N 3.3Å; R445-G447 PolarHBondContact O-N 3.17Å; R445-E448 PolarHBondContact O-N 2.87Å; R445-A449 PolarHBondContact O-N 3.36Å
446E65Low74.6Confident47 Ų4774.3 Ų74.322%0.2240%0.395CS..Hα-helixtrans-61.1-41.4179.6-171.1160.8-119.900110.9T348 T351 M443T348-E446 HydrophobicContact CG2-CG 4.06Å; T348-E446 PolarHBondContact N-OE1 2.96Å; T351-E446 VanDerWaalsContact CB-OE1 3.25Å; T351-E446 WeakPolarHBondContact CB-OE1 3.15Å; T351-E446 WeakPolarHBondContact CG2-OE1 3.46Å; T351-E446 VanDerWaalsContact OG1-CD 3.25Å; T351-E446 PolarHBondContact OG1-OE1 3.2Å; M443-E446 WeakPolarHBondContact CE-OE2 3.28Å; M443-E446 WeakPolarHBondContact O-CB 3.39Å; M443-E446 PolarHBondContact O-N 2.86Å; M443-E446 VanDerWaalsContact O-N 3.15Å
447G53.3Low73.5Confident65 Ų6575.2 Ų75.267%0.6742%0.42SS*.THydrogen-bonded Turntrans-75-15.8172.800000115.5R445R445-G447 VanDerWaalsContact C-N 3.3Å; R445-G447 PolarHBondContact O-N 3.17Å
448E53.4Low72.9Confident148 Ų14872.7 Ų72.769%0.69241%0.414SS*.THydrogen-bonded Turntrans-89.3-11.2177.1-65-170.7147.300113.2R445R445-E448 PolarHBondContact O-N 2.87Å
449A57Low72.3Confident25 Ų2580.6 Ų80.621%0.20744%0.441CS..SBendtrans-71.2-35.1179.400000112.6R445 E465 S466R445-A449 PolarHBondContact O-N 3.36Å; A449-E465 HydrophobicContact CB-CG 4.45Å; A449-E465 WeakPolarHBondContact O-CA 3.14Å; A449-S466 PolarHBondContact O-N 2.95Å; A449-S466 VanDerWaalsContact O-N 3.13Å
450E66.1Low72Confident79 Ų7982.3 Ų82.337%0.36945%0.454SS..EExtended strand (participates in β ladder)trans-83.2121.8177.2-75.5-151.9133.400112.8P452 V463 Y464 T496 K497E450-P452 WeakPolarHBondContact O-CD 3.41Å; E450-V463 HydrophobicContact CB-CG1 3.82Å; E450-V463 HydrophobicContact CG-CG1 4.02Å; E450-Y464 CarbonylContact C-O 3.57Å; E450-Y464 WeakPolarHBondContact CA-O 3.43Å; E450-T496 PolarHBondContact OE1-OG1 2.73Å; E450-T496 VanDerWaalsContact OE1-OG1 3.05Å; E450-K497 IonicContact OE1-NZ 3.69Å; E450-K497 PolarHBondContact OE1-NZ 2.63Å; E450-K497 IonicContact OE2-NZ 3.64Å; E450-K497 PolarHBondContact OE2-NZ 3.37Å
451I75.3Confident72.2Confident58 Ų5880.2 Ų80.230%0.29744%0.441SS..EExtended strand (participates in β ladder)trans-109.7102.3177.7-54.5175.7000108.4Y464I451-Y464 PolarHBondContact N-O 2.9Å; I451-Y464 PolarHBondContact O-N 2.61Å
452P76.5Confident72.4Confident72 Ų7275.2 Ų75.247%0.46842%0.419SS..EExtended strand (participates in β ladder)trans-78.7133.9178.829.8-34.1000112.9E450 V460 V463E450-P452 WeakPolarHBondContact O-CD 3.41Å; P452-V460 HydrophobicContact CB-CG1 3.92Å; P452-V460 HydrophobicContact CB-CG2 4.15Å; P452-V463 HydrophobicContact CB-CG2 4.21Å
453E80.8Confident72.3Confident61 Ų6174.4 Ų74.429%0.28542%0.416SS..EExtended strand (participates in β ladder)trans-90126.5166.4-167.4179.7132.400109.3V461 L462 Y464 K502E453-V461 PolarHBondContact O-N 2.95Å; E453-L462 HydrophobicContact CB-CB 4.1Å; E453-L462 WeakPolarHBondContact CB-O 3.48Å; E453-L462 PolarHBondContact N-O 3.49Å; E453-Y464 HydrophobicContact CB-CE2 4.34Å; E453-Y464 PolarHBondContact OE2-OH 3.04Å; E453-Y464 VanDerWaalsContact OE2-OH 3.08Å; E453-K502 IonicContact OE1-NZ 3.79Å; E453-K502 PolarHBondContact OE1-NZ 2.78Å
454M81.2Confident72.6Confident117 Ų11774.7 Ų74.758%0.57642%0.416SS*.EExtended strand (participates in β ladder)trans-97.4127.1-179.1-67.8-66.3-123.100110.9G458 R459 V460M454-G458 VanDerWaalsContact CE-O 3.26Å; M454-G458 WeakPolarHBondContact CE-O 3.32Å; M454-R459 WeakPolarHBondContact CA-O 3.23Å; M454-V460 HydrophobicContact SD-CB 4.44Å; M454-V460 HydrophobicContact SD-CG2 3.75Å
455G76Confident72.9Confident20 Ų2073.9 Ų73.921%0.20640%0.404CS..  trans-80.7175.5177.400000113.5G457 G458 R459G455-G457 PolarHBondContact O-N 2.88Å; G455-G458 PolarHBondContact O-N 2.95Å; G455-R459 PolarHBondContact N-O 2.72Å
456E66.2Low72.9Confident213 Ų21367.1 Ų67.1100%0.99538%0.381SS*.THydrogen-bonded Turntrans-61.8108.2174.2-62.9-169.7164.900110.2
457G64.4Low72.8Confident80 Ų8067.8 Ų67.883%0.82539%0.385SS*.THydrogen-bonded Turntrans112.7-3.5-171.500000115.1G455G455-G457 PolarHBondContact O-N 2.88Å
458G72.7Confident72.7Confident47 Ų4768.5 Ų68.549%0.48537%0.374SS..SBendtrans77.619.5171.600000115.3M454 G455M454-G458 VanDerWaalsContact CE-O 3.26Å; M454-G458 WeakPolarHBondContact CE-O 3.32Å; G455-G458 PolarHBondContact O-N 2.95Å
459R76.5Confident72.5Confident206 Ų20666.1 Ų66.178%0.77737%0.365SS*.  trans-80.6146.8162.8-65.3-175.7178-166.9-1.5109.4M454 G455M454-R459 WeakPolarHBondContact CA-O 3.23Å; G455-R459 PolarHBondContact N-O 2.72Å
460V81.5Confident71.5Confident58 Ų5870.3 Ų70.335%0.35238%0.384SS..EExtended strand (participates in β ladder)trans-67132.5165.6-178.10000107.9P452 M454 V463 L1433P452-V460 HydrophobicContact CB-CG1 3.92Å; P452-V460 HydrophobicContact CB-CG2 4.15Å; M454-V460 HydrophobicContact SD-CB 4.44Å; M454-V460 HydrophobicContact SD-CG2 3.75Å; V460-V463 HydrophobicContact CG1-CG2 3.44Å; V460-V463 VanDerWaalsContact CG1-CG2 3.44Å; V460-L1433 HydrophobicContact CG1-CD1 4.09Å
461V85.4Confident69.9Low20 Ų2069.7 Ų69.712%0.12139%0.386CS..EExtended strand (participates in β ladder)trans-128.2-17.7-177.3-63.90000113.9E453 G498 T499 K502E453-V461 PolarHBondContact O-N 2.95Å; V461-G498 CarbonylContact O-C 3.51Å; V461-G498 VanDerWaalsContact O-CA 3.29Å; V461-G498 WeakPolarHBondContact O-CA 3.39Å; V461-T499 HydrophobicContact CB-CG2 4.29Å; V461-T499 HydrophobicContact CG1-CG2 4.42Å; V461-T499 PolarHBondContact O-N 3.43Å; V461-K502 HydrophobicContact CB-CG 3.87Å; V461-K502 HydrophobicContact CG2-CD 4.11Å; V461-K502 HydrophobicContact CG2-CG 3.76Å
462L86.9Confident67.9Low2 Ų273 Ų731%0.0141%0.409CS..EExtended strand (participates in β ladder)trans-155.3148.4173.2-169.460.7000107.9E453 Y464 V495 K497 K502 L503 H506E453-L462 HydrophobicContact CB-CB 4.1Å; E453-L462 WeakPolarHBondContact CB-O 3.48Å; E453-L462 PolarHBondContact N-O 3.49Å; L462-Y464 HydrophobicContact CD2-CE1 4.2Å; L462-Y464 HydrophobicContact CD2-CE2 4.25Å; L462-Y464 WeakPolarHBondContact CD2-OH 3.4Å; L462-Y464 HydrophobicContact CG-CE2 4.39Å; L462-V495 HydrophobicContact CD1-CG1 3.64Å; L462-V495 HydrophobicContact CD1-CG2 4.4Å; L462-K497 CarbonylContact C-O 3.19Å; L462-K497 WeakPolarHBondContact CA-O 3.38Å; L462-K502 HydrophobicContact CB-CB 4.14Å; L462-K502 HydrophobicContact CD2-CB 4.41Å; L462-L503 HydrophobicContact CD1-CD2 3.83Å; L462-H506 HydrophobicContact CD2-CB 4.35Å
463V85.1Confident65.7Low3 Ų376 Ų762%0.01842%0.42CS..EExtended strand (participates in β ladder)trans-135.8138.8178.1-173.80000109.7E450 P452 V460 T496 K497E450-V463 HydrophobicContact CB-CG1 3.82Å; E450-V463 HydrophobicContact CG-CG1 4.02Å; P452-V463 HydrophobicContact CB-CG2 4.21Å; V460-V463 HydrophobicContact CG1-CG2 3.44Å; V460-V463 VanDerWaalsContact CG1-CG2 3.44Å; V463-T496 PolarHBondContact O-N 3.46Å; V463-T496 PolarHBondContact O-OG1 2.91Å; V463-K497 HydrophobicContact CB-CG 3.77Å; V463-K497 HydrophobicContact CG2-CD 4.38Å; V463-K497 HydrophobicContact CG2-CG 3.8Å; V463-K497 PolarHBondContact N-O 2.88Å
464Y82.7Confident63.2Low24 Ų2480.3 Ų80.39%0.09445%0.446CS..EExtended strand (participates in β ladder)trans-116.6134.9179.3-56.1-84.5000111.3E450 I451 E453 L462 R493 L494 V495 H506E450-Y464 CarbonylContact C-O 3.57Å; E450-Y464 WeakPolarHBondContact CA-O 3.43Å; I451-Y464 PolarHBondContact N-O 2.9Å; I451-Y464 PolarHBondContact O-N 2.61Å; E453-Y464 HydrophobicContact CB-CE2 4.34Å; E453-Y464 PolarHBondContact OE2-OH 3.04Å; E453-Y464 VanDerWaalsContact OE2-OH 3.08Å; L462-Y464 HydrophobicContact CD2-CE1 4.2Å; L462-Y464 HydrophobicContact CD2-CE2 4.25Å; L462-Y464 WeakPolarHBondContact CD2-OH 3.4Å; L462-Y464 HydrophobicContact CG-CE2 4.39Å; Y464-R493 HydrophobicContact CD1-CB 4.08Å; Y464-R493 HydrophobicContact CG-CB 4.39Å; Y464-L494 CarbonylContact C-O 3.48Å; Y464-L494 VanDerWaalsContact CA-O 3.24Å; Y464-L494 WeakPolarHBondContact CA-O 3.2Å; Y464-V495 HydrophobicContact CD1-CG2 3.99Å; Y464-V495 HydrophobicContact CE1-CG2 3.79Å; Y464-H506 AromaticContact CE1-CE1 3.43Å; Y464-H506 VanDerWaalsContact CE1-CE1 3.43Å; Y464-H506 WeakPolarHBondContact CE1-CE1 3.47Å; Y464-H506 AromaticContact CE1-ND1 3.83Å; Y464-H506 AromaticContact CZ-CE1 3.91Å; Y464-H506 AromaticContact CZ-ND1 3.98Å; Y464-H506 PolarHBondContact OH-CE1 3.16Å; Y464-H506 PolarHBondContact OH-ND1 3.32Å
465E78.2Confident60.7Low51 Ų5180.7 Ų80.724%0.23845%0.449CS..EExtended strand (participates in β ladder)trans-85.8140.1159.9-171.6-179.2177.300109.6A449 I467 R493 L494 T496A449-E465 HydrophobicContact CB-CG 4.45Å; A449-E465 WeakPolarHBondContact O-CA 3.14Å; E465-I467 HydrophobicContact CG-CG1 3.95Å; E465-R493 WeakPolarHBondContact O-CA 3.45Å; E465-L494 PolarHBondContact N-O 3.07Å; E465-L494 PolarHBondContact O-N 3.08Å; E465-T496 HydrophobicContact CB-CG2 3.65Å
466S66.3Low58.4Low13 Ų1387.4 Ų87.49%0.09148%0.48CS..EExtended strand (participates in β ladder)trans-105.487.7178.963.40000113A449 K491 C492A449-S466 PolarHBondContact O-N 2.95Å; A449-S466 VanDerWaalsContact O-N 3.13Å; S466-K491 VanDerWaalsContact O-CE 3.22Å; S466-K491 WeakPolarHBondContact O-CE 3.48Å; S466-K491 PolarHBondContact O-NZ 2.77Å; S466-K491 PolarHBondContact OG-NZ 2.91Å; S466-C492 CarbonylContact C-O 3.57Å; S466-C492 WeakPolarHBondContact CA-O 3.27Å
467I63.3Low56.7Low61 Ų6182.2 Ų82.231%0.31347%0.467SS..EExtended strand (participates in β ladder)trans-83.2131-176.4-59.7-161.9000111.2E465 C492 L494E465-I467 HydrophobicContact CG-CG1 3.95Å; I467-C492 PolarHBondContact N-O 3.44Å; I467-C492 PolarHBondContact O-N 3.01Å; I467-L494 HydrophobicContact CB-CD1 4.3Å; I467-L494 HydrophobicContact CD1-CD1 3.51Å; I467-L494 HydrophobicContact CG1-CD1 3.96Å
468N51.2Low54.9Low81 Ų8184 Ų8443%0.43346%0.458SS..  trans-76130.1163.8-65.4-8.1000108.3D470 L489 K491N468-D470 WeakPolarHBondContact CB-OD2 3.31Å; N468-D470 PolarHBondContact O-N 3.45Å; N468-L489 HydrophobicContact CB-CD2 4.49Å; N468-K491 WeakPolarHBondContact OD1-CE 3.32Å; N468-K491 WeakPolarHBondContact OD1-CG 3.38Å
469L49.4Very low53Low97 Ų9791.1 Ų91.151%0.50848%0.475SS..SBendtrans-81.343.7-168.5-149.587000114T471 C492L469-T471 VanDerWaalsContact C-N 3.31Å; L469-C492 HydrophobicContact CD1-CB 4.06Å
470D35.4Very low50.7Low113 Ų11386.5 Ų86.560%0.60447%0.474SS*.SBendtrans-91.212.7-176.9-55.1-47.9000112.5N468 L489N468-D470 WeakPolarHBondContact CB-OD2 3.31Å; N468-D470 PolarHBondContact O-N 3.45Å; D470-L489 WeakPolarHBondContact OD1-CD2 3.34Å
471T33.8Very low48.3Very low66 Ų6689.6 Ų89.641%0.40550%0.496SS..SBendtrans-154.1153.6176.9-41.90000110.6R353 L469R353-T471 PolarHBondContact NH1-OG1 3.21Å; L469-T471 VanDerWaalsContact C-N 3.31Å
472T31.8Very low45.5Very low128 Ų12895.3 Ų95.379%0.78553%0.526SS*.SBendtrans82.215.8171.2740000119.8
473L32Very low42.8Very low135 Ų135102.3 Ų102.371%0.70756%0.563SS**  trans-121.375.6151.9-77.3-179.9000110.5I475L473-I475 VanDerWaalsContact C-N 3.34Å; L473-I475 PolarHBondContact O-N 2.78Å
474N27.4Very low40.1Very low152 Ų152110.2 Ų110.281%0.81361%0.605SS**  trans-77.288.2171.5-145.112.6000108.5
475I29.3Very low37.5Very low125 Ų125115.4 Ų115.464%0.64164%0.635SS**  trans-111.5128.7171.4-63.1176.2000106.4L473 S477L473-I475 VanDerWaalsContact C-N 3.34Å; L473-I475 PolarHBondContact O-N 2.78Å; I475-S477 PolarHBondContact O-N 3.01Å
476D26.7Very low35.3Very low160 Ų160118.2 Ų118.286%0.85666%0.66SS**  trans-49.6105.4-166.1-56.6-80.2000114.5
477S31.2Very low33.8Very low104 Ų104124 Ų12473%0.72769%0.694SS**  trans-113.453-177.5680000113.1I475 K479I475-S477 PolarHBondContact O-N 3.01Å; S477-K479 PolarHBondContact O-N 2.94Å
478N26.9Very low32.4Very low118 Ų118128 Ų12863%0.63172%0.716SS**  trans-71.472.4163.5-114-25.6000109.8S234S234-N478 VanDerWaalsContact CB-OD1 3.3Å; S234-N478 WeakPolarHBondContact CB-OD1 3.5Å; S234-N478 PolarHBondContact OG-OD1 3.25Å
479K31.4Very low31.7Very low196 Ų196129 Ų12985%0.85272%0.72SS**SBendtrans-148.7145.1174.6-104.7169.5-175.8175.90111.2S477S477-K479 PolarHBondContact O-N 2.94Å
480S28.7Very low31.5Very low109 Ų109130.3 Ų130.376%0.76272%0.722SS**  trans-66.4140.8-166.5-169.40000114.1N482S480-N482 PolarHBondContact O-N 2.79Å; S480-N482 VanDerWaalsContact O-N 3.16Å
481P30.9Very low32.3Very low123 Ų123130.2 Ų130.280%0.79972%0.716SS**  trans-79.592173.532.8-33.8000111
482N26.6Very low33.8Very low141 Ų141128 Ų12875%0.75470%0.703SS**  trans-15885.4164.2-130.9-6.4000112.3S480S480-N482 PolarHBondContact O-N 2.79Å; S480-N482 VanDerWaalsContact O-N 3.16Å
483D31.3Very low35.8Very low148 Ų148127.9 Ų127.979%0.79169%0.688SS**  trans-161.5113.7153.6-122.5-23.7000110.9N485D483-N485 VanDerWaalsContact C-N 3.3Å; D483-N485 PolarHBondContact O-N 3.39Å
484N27.8Very low38.2Very low169 Ų169123 Ų12390%0.90466%0.663SS**  trans-82.572-179.5-85.8-45.2000111.2
485N27.8Very low41Very low134 Ų134115.9 Ų115.972%0.71762%0.624SS**  trans-116.7136164.2-94.9-60.5000109.8D483 V487D483-N485 VanDerWaalsContact C-N 3.3Å; D483-N485 PolarHBondContact O-N 3.39Å; N485-V487 PolarHBondContact O-N 2.85Å
486S32.2Very low43.7Very low110 Ų110110.4 Ų110.477%0.76960%0.597SS**  trans-64.6104.7-170.860.80000111.8L488S486-L488 VanDerWaalsContact C-N 3.33Å; S486-L488 PolarHBondContact O-N 3.27Å
487V34.8Very low46.7Very low134 Ų134104.7 Ų104.781%0.81256%0.564SS**  trans-62.999.1164.8178.40000107.1N485 L489N485-V487 PolarHBondContact O-N 2.85Å; V487-L489 VanDerWaalsContact C-N 3.28Å; V487-L489 PolarHBondContact O-N 2.87Å
488L33.6Very low49.6Very low146 Ų14699.7 Ų99.776%0.76453%0.53SS*.  trans-76.885-174.5-156.5169.2000108.3S486 K490S486-L488 VanDerWaalsContact C-N 3.33Å; S486-L488 PolarHBondContact O-N 3.27Å; L488-K490 PolarHBondContact O-N 3.14Å
489L37.8Very low52.6Low100 Ų10095.5 Ų95.552%0.52451%0.508SS..  trans-35.896.2179-89.7152.5000111.9N468 D470 V487 K491N468-L489 HydrophobicContact CB-CD2 4.49Å; D470-L489 WeakPolarHBondContact OD1-CD2 3.34Å; V487-L489 VanDerWaalsContact C-N 3.28Å; V487-L489 PolarHBondContact O-N 2.87Å; L489-K491 PolarHBondContact O-N 2.93Å
490K44.7Very low55.4Low125 Ų12587.7 Ų87.754%0.54348%0.478SS..  trans-77.790.8179.6-103.8-162.1170-150.60108.8L488 C492 S512 N513L488-K490 PolarHBondContact O-N 3.14Å; K490-C492 PolarHBondContact O-N 3.05Å; K490-S512 PolarHBondContact NZ-O 2.86Å; K490-N513 WeakPolarHBondContact CE-OD1 3.35Å; K490-N513 PolarHBondContact NZ-OD1 3.38Å
491K52.2Low58.4Low112 Ų11287 Ų8749%0.48746%0.462SS..  trans-57.6111.5172-140.5178.6-163.2-149.30109.3S466 N468 L489S466-K491 VanDerWaalsContact O-CE 3.22Å; S466-K491 WeakPolarHBondContact O-CE 3.48Å; S466-K491 PolarHBondContact O-NZ 2.77Å; S466-K491 PolarHBondContact OG-NZ 2.91Å; N468-K491 WeakPolarHBondContact OD1-CE 3.32Å; N468-K491 WeakPolarHBondContact OD1-CG 3.38Å; L489-K491 PolarHBondContact O-N 2.93Å
492C63.9Low61.2Low18 Ų1883.4 Ų83.412%0.12243%0.434CS..EExtended strand (participates in β ladder)trans-85144.8179.5-168.70000109.4S466 I467 L469 K490S466-C492 CarbonylContact C-O 3.57Å; S466-C492 WeakPolarHBondContact CA-O 3.27Å; I467-C492 PolarHBondContact N-O 3.44Å; I467-C492 PolarHBondContact O-N 3.01Å; L469-C492 HydrophobicContact CD1-CB 4.06Å; K490-C492 PolarHBondContact O-N 3.05Å
493R74.9Confident64.4Low127 Ų12776.7 Ų76.748%0.47940%0.398SS..EExtended strand (participates in β ladder)trans-106.3119.6171.6-70.1-174.2-178.3-178.4-1.2110.4Y464 E465 N513Y464-R493 HydrophobicContact CD1-CB 4.08Å; Y464-R493 HydrophobicContact CG-CB 4.39Å; E465-R493 WeakPolarHBondContact O-CA 3.45Å; R493-N513 PolarHBondContact N-O 3.21Å
494L82Confident67.3Low32 Ų3269.9 Ų69.917%0.16836%0.362CS..EExtended strand (participates in β ladder)trans-108.1129177.6-89.2148.4000109.5Y464 E465 I467 T496 D515 R1440Y464-L494 CarbonylContact C-O 3.48Å; Y464-L494 VanDerWaalsContact CA-O 3.24Å; Y464-L494 WeakPolarHBondContact CA-O 3.2Å; E465-L494 PolarHBondContact N-O 3.07Å; E465-L494 PolarHBondContact O-N 3.08Å; I467-L494 HydrophobicContact CB-CD1 4.3Å; I467-L494 HydrophobicContact CD1-CD1 3.51Å; I467-L494 HydrophobicContact CG1-CD1 3.96Å; L494-T496 PolarHBondContact O-N 3.38Å; L494-D515 HydrophobicContact CD2-CB 3.61Å; L494-D515 WeakPolarHBondContact CD2-OD2 3.11Å; L494-D515 HydrophobicContact CG-CB 4.21Å; L494-R1440 VanDerWaalsContact CD2-CZ 3.49Å
495V87.2Confident70.1Confident2 Ų264.9 Ų64.91%0.01233%0.333CS..EExtended strand (participates in β ladder)trans-69.1124.9174.8174.80000109.8L462 Y464 L503 Y518 F1436 R1440L462-V495 HydrophobicContact CD1-CG1 3.64Å; L462-V495 HydrophobicContact CD1-CG2 4.4Å; Y464-V495 HydrophobicContact CD1-CG2 3.99Å; Y464-V495 HydrophobicContact CE1-CG2 3.79Å; V495-L503 HydrophobicContact CG1-CD2 3.67Å; V495-Y518 HydrophobicContact CB-CD2 4.3Å; V495-Y518 HydrophobicContact CB-CE2 3.96Å; V495-Y518 HydrophobicContact CG1-CE2 4.22Å; V495-Y518 HydrophobicContact CG2-CD2 4.33Å; V495-Y518 HydrophobicContact CG2-CE2 4Å; V495-F1436 HydrophobicContact CG1-CB 4.12Å; V495-F1436 HydrophobicContact CG1-CD1 4.47Å; V495-F1436 HydrophobicContact CG1-CG 4.27Å; V495-R1440 PolarHBondContact O-NH1 3.42Å
496T86.3Confident73Confident10 Ų1059.4 Ų59.46%0.06130%0.303CS..EExtended strand (participates in β ladder)trans-99.1-48.8175.758.10000112.3E450 V463 E465 L494 F1436 V1437E450-T496 PolarHBondContact OE1-OG1 2.73Å; E450-T496 VanDerWaalsContact OE1-OG1 3.05Å; V463-T496 PolarHBondContact O-N 3.46Å; V463-T496 PolarHBondContact O-OG1 2.91Å; E465-T496 HydrophobicContact CB-CG2 3.65Å; L494-T496 PolarHBondContact O-N 3.38Å; T496-F1436 CarbonylContact O-C 3.51Å; T496-F1436 WeakPolarHBondContact O-CA 3.3Å; T496-F1436 WeakPolarHBondContact O-CB 3.41Å; T496-F1436 PolarHBondContact O-N 3.45Å; T496-V1437 HydrophobicContact CG2-CG2 4.04Å; T496-V1437 PolarHBondContact O-N 3.13Å; T496-V1437 VanDerWaalsContact O-N 3.12Å
497K88.8Confident75.6Confident40 Ų4054.2 Ų54.217%0.17427%0.267CS..EExtended strand (participates in β ladder)trans-150.6150.8-177.455.6-172.2175.6-117.20112E450 L462 V463 T1429 L1433 V1434E450-K497 IonicContact OE1-NZ 3.69Å; E450-K497 PolarHBondContact OE1-NZ 2.63Å; E450-K497 IonicContact OE2-NZ 3.64Å; E450-K497 PolarHBondContact OE2-NZ 3.37Å; L462-K497 CarbonylContact C-O 3.19Å; L462-K497 WeakPolarHBondContact CA-O 3.38Å; V463-K497 HydrophobicContact CB-CG 3.77Å; V463-K497 HydrophobicContact CG2-CD 4.38Å; V463-K497 HydrophobicContact CG2-CG 3.8Å; V463-K497 PolarHBondContact N-O 2.88Å; K497-T1429 HydrophobicContact CB-CG2 4.13Å; K497-T1429 HydrophobicContact CD-CG2 3.73Å; K497-L1433 HydrophobicContact CB-CB 4.22Å; K497-L1433 HydrophobicContact CD-CD1 4.36Å; K497-L1433 HydrophobicContact CG-CD1 4.2Å; K497-V1434 VanDerWaalsContact CA-O 3.24Å; K497-V1434 WeakPolarHBondContact CA-O 3.2Å
498G91Very high78Confident0 Ų049 Ų490%023%0.234CC..EExtended strand (participates in β ladder)trans-174.3172.5178.600000115.4V461 V1434V461-G498 CarbonylContact O-C 3.51Å; V461-G498 VanDerWaalsContact O-CA 3.29Å; V461-G498 WeakPolarHBondContact O-CA 3.39Å; G498-V1434 PolarHBondContact N-O 2.89Å; G498-V1434 VanDerWaalsContact N-O 3.15Å; G498-V1434 WeakPolarHBondContact O-CB 3.45Å; G498-V1434 PolarHBondContact O-N 3.38Å
499T91.8Very high80Confident30 Ų3043.6 Ų43.618%0.18421%0.21CC..  trans-77150.1171.665.20000110.6V461 E501 K502 L503 L1433V461-T499 HydrophobicContact CB-CG2 4.29Å; V461-T499 HydrophobicContact CG1-CG2 4.42Å; V461-T499 PolarHBondContact O-N 3.43Å; T499-E501 WeakPolarHBondContact CB-OE2 3.24Å; T499-E501 PolarHBondContact O-N 2.77Å; T499-E501 PolarHBondContact OG1-OE2 3.22Å; T499-K502 PolarHBondContact O-N 3Å; T499-K502 PolarHBondContact OG1-N 3.16Å; T499-L503 WeakPolarHBondContact O-CG 3.47Å; T499-L503 PolarHBondContact O-N 3.38Å; T499-L1433 HydrophobicContact CG2-CD2 3.6Å
500P90.2Very high81.3Confident32 Ų3244.8 Ų44.821%0.20822%0.217CC..Hα-helixtrans-53.2-40.1179.6-27.335.8000113.3K502 L503 I504 F529 L530 V1434P500-K502 PolarHBondContact O-N 3.06Å; P500-L503 PolarHBondContact O-N 3.47Å; P500-I504 WeakPolarHBondContact O-CD1 3.32Å; P500-I504 VanDerWaalsContact O-CG1 3.27Å; P500-I504 WeakPolarHBondContact O-CG1 3.43Å; P500-I504 PolarHBondContact O-N 3.49Å; P500-F529 HydrophobicContact CB-CD2 4.08Å; P500-F529 HydrophobicContact CB-CE2 4.18Å; P500-F529 HydrophobicContact CG-CD2 4.14Å; P500-L530 HydrophobicContact CB-CD2 4.08Å; P500-V1434 HydrophobicContact CG-CG2 4.09Å
501E90.2Very high82.2Confident94 Ų9440.4 Ų40.444%0.43920%0.199SC..Hα-helixtrans-60.8-43.8177.9-6173.9-160.300112T499 I504 E505 R539T499-E501 WeakPolarHBondContact CB-OE2 3.24Å; T499-E501 PolarHBondContact O-N 2.77Å; T499-E501 PolarHBondContact OG1-OE2 3.22Å; E501-I504 PolarHBondContact O-N 3.17Å; E501-E505 PolarHBondContact O-N 3.3Å; E501-R539 PolarHBondContact O-NH1 2.98Å
502K90.7Very high82.5Confident48 Ų4839.2 Ų39.221%0.20921%0.205CC..Hα-helixtrans-74.3-32.1-179.2-82.8-72.4172.6-168.70113E453 V461 L462 T499 P500 E505 H506E453-K502 IonicContact OE1-NZ 3.79Å; E453-K502 PolarHBondContact OE1-NZ 2.78Å; V461-K502 HydrophobicContact CB-CG 3.87Å; V461-K502 HydrophobicContact CG2-CD 4.11Å; V461-K502 HydrophobicContact CG2-CG 3.76Å; L462-K502 HydrophobicContact CB-CB 4.14Å; L462-K502 HydrophobicContact CD2-CB 4.41Å; T499-K502 PolarHBondContact O-N 3Å; T499-K502 PolarHBondContact OG1-N 3.16Å; P500-K502 PolarHBondContact O-N 3.06Å; K502-E505 WeakPolarHBondContact CD-OE2 3.16Å; K502-E505 VanDerWaalsContact CE-OE2 3.25Å; K502-E505 WeakPolarHBondContact CE-OE2 3.33Å; K502-E505 IonicContact NZ-OE2 2.86Å; K502-E505 PolarHBondContact NZ-OE2 2.86Å; K502-E505 PolarHBondContact O-N 3.35Å; K502-H506 WeakPolarHBondContact O-CB 3.43Å; K502-H506 PolarHBondContact O-N 2.78Å
503L92.7Very high82Confident0 Ų042.8 Ų42.80%022%0.223CC..Hα-helixtrans-64.1-44.1170.9-64.4170.6000110.6L462 V495 T499 P500 E505 H506 L507 Y518 F522 F529 V1434 F1436L462-L503 HydrophobicContact CD1-CD2 3.83Å; V495-L503 HydrophobicContact CG1-CD2 3.67Å; T499-L503 WeakPolarHBondContact O-CG 3.47Å; T499-L503 PolarHBondContact O-N 3.38Å; P500-L503 PolarHBondContact O-N 3.47Å; L503-E505 PolarHBondContact O-N 3.44Å; L503-H506 PolarHBondContact O-N 2.88Å; L503-H506 VanDerWaalsContact O-N 3.13Å; L503-L507 PolarHBondContact O-N 3.45Å; L503-Y518 VanDerWaalsContact CA-OH 3.31Å; L503-Y518 WeakPolarHBondContact CA-OH 3.16Å; L503-Y518 WeakPolarHBondContact CB-OH 3.18Å; L503-Y518 HydrophobicContact CD2-CE2 4.43Å; L503-Y518 VanDerWaalsContact CD2-OH 3.31Å; L503-Y518 WeakPolarHBondContact CD2-OH 3.13Å; L503-Y518 PolarHBondContact O-OH 3.12Å; L503-Y518 VanDerWaalsContact O-OH 3.05Å; L503-F522 HydrophobicContact CB-CD2 4.17Å; L503-F522 HydrophobicContact CB-CE2 3.74Å; L503-F529 HydrophobicContact CD1-CE2 4.29Å; L503-F529 HydrophobicContact CD1-CZ 4.15Å; L503-V1434 HydrophobicContact CD1-CB 3.96Å; L503-V1434 HydrophobicContact CD1-CG1 4.2Å; L503-V1434 HydrophobicContact CD1-CG2 4.46Å; L503-F1436 HydrophobicContact CD1-CD2 4.25Å; L503-F1436 HydrophobicContact CD2-CD2 3.93Å; L503-F1436 HydrophobicContact CD2-CG 4.36Å
504I92Very high81.4Confident5 Ų537.3 Ų37.33%0.02621%0.207CC..Hα-helixtrans-63.5-41.3174.4-57.7159.3000111.1P500 E501 H506 L507 F522 L530 I536 R539 W543P500-I504 WeakPolarHBondContact O-CD1 3.32Å; P500-I504 VanDerWaalsContact O-CG1 3.27Å; P500-I504 WeakPolarHBondContact O-CG1 3.43Å; P500-I504 PolarHBondContact O-N 3.49Å; E501-I504 PolarHBondContact O-N 3.17Å; I504-H506 VanDerWaalsContact C-N 3.29Å; I504-H506 PolarHBondContact O-N 2.67Å; I504-L507 HydrophobicContact CG2-CD1 4.4Å; I504-L507 WeakPolarHBondContact O-CB 3.36Å; I504-L507 PolarHBondContact O-N 3.08Å; I504-F522 HydrophobicContact CG1-CE2 4.29Å; I504-F522 HydrophobicContact CG1-CZ 3.7Å; I504-L530 HydrophobicContact CD1-CD1 4.26Å; I504-I536 HydrophobicContact CD1-CG1 4.3Å; I504-I536 HydrophobicContact CG1-CG1 4.26Å; I504-R539 HydrophobicContact CG2-CB 4.06Å; I504-R539 VanDerWaalsContact CG2-CD 3.5Å; I504-R539 HydrophobicContact CG2-CG 4.4Å; I504-W543 HydrophobicContact CG2-CH2 4Å; I504-W543 HydrophobicContact CG2-CZ3 4.37Å; I504-W543 WeakPolarHBondContact O-CH2 3.31Å
505E88.2Confident80.9Confident64 Ų6436.8 Ų36.830%0.29920%0.204SC..Hα-helixtrans-61.2-33.7172.5-83.6156.8-127.700113.3E501 K502 L503 L507 I508 R539 W543E501-E505 PolarHBondContact O-N 3.3Å; K502-E505 WeakPolarHBondContact CD-OE2 3.16Å; K502-E505 VanDerWaalsContact CE-OE2 3.25Å; K502-E505 WeakPolarHBondContact CE-OE2 3.33Å; K502-E505 IonicContact NZ-OE2 2.86Å; K502-E505 PolarHBondContact NZ-OE2 2.86Å; K502-E505 PolarHBondContact O-N 3.35Å; L503-E505 PolarHBondContact O-N 3.44Å; E505-L507 VanDerWaalsContact C-N 3.26Å; E505-L507 PolarHBondContact O-N 2.99Å; E505-I508 WeakPolarHBondContact O-CG1 3.27Å; E505-I508 PolarHBondContact O-N 2.9Å; E505-R539 IonicContact OE1-CZ 2.74Å; E505-R539 IonicContact OE1-NH1 2.68Å; E505-R539 PolarHBondContact OE1-NH1 3.39Å; E505-R539 IonicContact OE1-NH2 3.94Å; E505-W543 HydrophobicContact CG-CH2 4.37Å; E505-W543 HydrophobicContact CG-CZ2 4Å
506H88.9Confident80.5Confident19 Ų1944 Ų449%0.08824%0.241CC..Hα-helixtrans-68.6-24.3-178.6-159.773.8000113.1L462 Y464 K502 L503 I504 I508 A509 Y518L462-H506 HydrophobicContact CD2-CB 4.35Å; Y464-H506 AromaticContact CE1-CE1 3.43Å; Y464-H506 VanDerWaalsContact CE1-CE1 3.43Å; Y464-H506 WeakPolarHBondContact CE1-CE1 3.47Å; Y464-H506 AromaticContact CE1-ND1 3.83Å; Y464-H506 AromaticContact CZ-CE1 3.91Å; Y464-H506 AromaticContact CZ-ND1 3.98Å; Y464-H506 PolarHBondContact OH-CE1 3.16Å; Y464-H506 PolarHBondContact OH-ND1 3.32Å; K502-H506 WeakPolarHBondContact O-CB 3.43Å; K502-H506 PolarHBondContact O-N 2.78Å; L503-H506 PolarHBondContact O-N 2.88Å; L503-H506 VanDerWaalsContact O-N 3.13Å; I504-H506 VanDerWaalsContact C-N 3.29Å; I504-H506 PolarHBondContact O-N 2.67Å; H506-I508 PolarHBondContact O-N 2.8Å; H506-I508 VanDerWaalsContact O-N 3.1Å; H506-A509 WeakPolarHBondContact O-CB 3.45Å; H506-A509 PolarHBondContact O-N 3.37Å; H506-Y518 HydrophobicContact CB-CE1 3.97Å; H506-Y518 AromaticContact CD2-CD1 3.84Å; H506-Y518 AromaticContact CD2-CE1 3.69Å; H506-Y518 AromaticContact CD2-CZ 3.99Å
507L86.8Confident80.5Confident0 Ų045.9 Ų45.90%025%0.253CS..THydrogen-bonded Turntrans-54-30.5174.1-67.3173000113.5L503 I504 E505 Y518 P519 F522 I536 I557L503-L507 PolarHBondContact O-N 3.45Å; I504-L507 HydrophobicContact CG2-CD1 4.4Å; I504-L507 WeakPolarHBondContact O-CB 3.36Å; I504-L507 PolarHBondContact O-N 3.08Å; E505-L507 VanDerWaalsContact C-N 3.26Å; E505-L507 PolarHBondContact O-N 2.99Å; L507-Y518 HydrophobicContact CD2-CD1 4.32Å; L507-Y518 HydrophobicContact CD2-CE1 3.96Å; L507-Y518 HydrophobicContact CG-CE1 4.42Å; L507-P519 HydrophobicContact CD2-CB 4.38Å; L507-F522 HydrophobicContact CD1-CD1 3.92Å; L507-F522 HydrophobicContact CD1-CE1 3.81Å; L507-F522 HydrophobicContact CD1-CZ 4.35Å; L507-F522 HydrophobicContact CD2-CB 4.05Å; L507-F522 HydrophobicContact CD2-CD1 3.86Å; L507-F522 HydrophobicContact CD2-CG 3.91Å; L507-F522 HydrophobicContact CG-CD1 4.29Å; L507-F522 HydrophobicContact CG-CG 4.48Å; L507-I536 HydrophobicContact CD1-CG2 4.29Å; L507-I557 HydrophobicContact CB-CD1 4.32Å; L507-I557 WeakPolarHBondContact O-CD1 3.23Å
508I83.9Confident80.6Confident26 Ų2644 Ų4413%0.13324%0.244CC..THydrogen-bonded Turntrans-102.54.7179.558.5155.1000114.1E505 H506 W543 L550 R553 V554E505-I508 WeakPolarHBondContact O-CG1 3.27Å; E505-I508 PolarHBondContact O-N 2.9Å; H506-I508 PolarHBondContact O-N 2.8Å; H506-I508 VanDerWaalsContact O-N 3.1Å; I508-W543 HydrophobicContact CB-CE3 4.34Å; I508-W543 HydrophobicContact CB-CZ3 4.45Å; I508-W543 HydrophobicContact CD1-CD2 3.49Å; I508-W543 VanDerWaalsContact CD1-CD2 3.49Å; I508-W543 HydrophobicContact CD1-CE3 3.76Å; I508-W543 HydrophobicContact CD1-CG 3.95Å; I508-W543 HydrophobicContact CD1-CH2 4.12Å; I508-W543 HydrophobicContact CD1-CZ2 3.9Å; I508-W543 HydrophobicContact CD1-CZ3 4.06Å; I508-W543 HydrophobicContact CG1-CD2 4.24Å; I508-W543 HydrophobicContact CG1-CE3 3.98Å; I508-W543 HydrophobicContact CG1-CH2 4.08Å; I508-W543 HydrophobicContact CG1-CZ2 4.33Å; I508-W543 HydrophobicContact CG1-CZ3 3.9Å; I508-W543 HydrophobicContact CG2-CD2 4.29Å; I508-W543 HydrophobicContact CG2-CE3 3.48Å; I508-W543 VanDerWaalsContact CG2-CE3 3.48Å; I508-W543 HydrophobicContact CG2-CZ3 3.74Å; I508-L550 HydrophobicContact CB-CD1 4.39Å; I508-L550 HydrophobicContact CB-CD2 4.49Å; I508-L550 HydrophobicContact CD1-CD1 3.63Å; I508-R553 VanDerWaalsContact O-CZ 3.27Å; I508-R553 PolarHBondContact O-NE 3.06Å; I508-R553 PolarHBondContact O-NH2 2.97Å; I508-V554 HydrophobicContact CG2-CG2 4.31Å
509A77Confident80.6Confident32 Ų3244.8 Ų44.826%0.26425%0.249SC..SBendtrans-70.4162.2176.300000112.1H506 L511 R553H506-A509 WeakPolarHBondContact O-CB 3.45Å; H506-A509 PolarHBondContact O-N 3.37Å; A509-L511 VanDerWaalsContact C-N 3.35Å; A509-L511 PolarHBondContact O-N 2.91Å; A509-R553 PolarHBondContact O-NH1 3.37Å; A509-R553 VanDerWaalsContact O-NH1 3.13Å; A509-R553 PolarHBondContact O-NH2 3.17Å
510D63.4Low80.5Confident124 Ų12446.3 Ų46.366%0.66325%0.254SS*.  trans-80.878.2-177.1-84.7-20.5000113.3S512 R553D510-S512 PolarHBondContact O-N 3.26Å; D510-R553 IonicContact OD1-CZ 3.65Å; D510-R553 IonicContact OD1-NH1 3.91Å; D510-R553 PolarHBondContact OD1-NH1 3.12Å; D510-R553 IonicContact OD1-NH2 3.6Å; D510-R553 PolarHBondContact OD1-NH2 3.02Å
511L63.8Low80.7Confident33 Ų3344.8 Ų44.817%0.17324%0.244CC..G310 helixtrans-54.63.8176.1-61172.6000116A509 N513 G514 P519A509-L511 VanDerWaalsContact C-N 3.35Å; A509-L511 PolarHBondContact O-N 2.91Å; L511-N513 PolarHBondContact O-N 2.98Å; L511-N513 VanDerWaalsContact O-N 3.08Å; L511-G514 PolarHBondContact O-N 3.19Å; L511-P519 HydrophobicContact CD1-CG 3.88Å
512S58.1Low80.9Confident87 Ų8740.3 Ų40.361%0.60822%0.224SC*.G310 helixtrans-61.1-15.1175.367.80000115.1K490 D510K490-S512 PolarHBondContact NZ-O 2.86Å; D510-S512 PolarHBondContact O-N 3.26Å
513N54.1Low81Confident93 Ų9338.1 Ų38.150%0.49721%0.214SC..G310 helixtrans-131.123.5172.6-61.3-19.3000111.2K490 R493 L511K490-N513 WeakPolarHBondContact CE-OD1 3.35Å; K490-N513 PolarHBondContact NZ-OD1 3.38Å; R493-N513 PolarHBondContact N-O 3.21Å; L511-N513 PolarHBondContact O-N 2.98Å; L511-N513 VanDerWaalsContact O-N 3.08Å
514G61.8Low81.1Confident13 Ų1338.5 Ų38.513%0.13422%0.216CC..BIsolated β-bridgetrans-135.1180-173.800000112.4L511 I516L511-G514 PolarHBondContact O-N 3.19Å; G514-I516 PolarHBondContact O-N 2.96Å
515D71.7Confident81.2Confident21 Ų2138.3 Ų38.311%0.11222%0.215CC..  trans-65.7122.8-175.4179.416000113.4L494 T517 Y518 R1440L494-D515 HydrophobicContact CD2-CB 3.61Å; L494-D515 WeakPolarHBondContact CD2-OD2 3.11Å; L494-D515 HydrophobicContact CG-CB 4.21Å; D515-T517 PolarHBondContact OD1-N 3.46Å; D515-T517 PolarHBondContact OD1-OG1 3.08Å; D515-T517 VanDerWaalsContact OD1-OG1 3.08Å; D515-T517 PolarHBondContact OD2-OG1 3.18Å; D515-Y518 PolarHBondContact OD2-N 3.46Å; D515-R1440 IonicContact OD2-CZ 2.78Å; D515-R1440 VanDerWaalsContact OD2-CZ 3.26Å; D515-R1440 IonicContact OD2-NE 2.81Å; D515-R1440 PolarHBondContact OD2-NE 3.35Å; D515-R1440 IonicContact OD2-NH2 3.96Å; D515-R1440 PolarHBondContact OD2-NH2 3.44Å
516I80Confident81.4Confident152 Ų15235.2 Ų35.278%0.77920%0.201SC*.SBendtrans-75.7-27.5179.2-63.9174.6000111.5G514 P519G514-I516 PolarHBondContact O-N 2.96Å; I516-P519 WeakPolarHBondContact O-CD 3.46Å
517T85.9Confident81.5Confident51 Ų5134.3 Ų34.331%0.31320%0.196SC..SBendtrans-83-17.6179.7660000113.1D515 P519 E520 D521D515-T517 PolarHBondContact OD1-N 3.46Å; D515-T517 PolarHBondContact OD1-OG1 3.08Å; D515-T517 VanDerWaalsContact OD1-OG1 3.08Å; D515-T517 PolarHBondContact OD2-OG1 3.18Å; T517-P519 VanDerWaalsContact C-CD 3.45Å; T517-P519 VanDerWaalsContact O-N 3.12Å; T517-E520 WeakPolarHBondContact O-CA 3.48Å; T517-E520 PolarHBondContact O-N 3.16Å; T517-D521 VanDerWaalsContact CB-OD2 3.3Å; T517-D521 WeakPolarHBondContact CB-OD2 3.15Å; T517-D521 PolarHBondContact O-N 3.23Å; T517-D521 PolarHBondContact OG1-OD2 3.42Å
518Y90.8Very high81.7Confident1 Ų135.3 Ų35.30%0.00420%0.203CC..Hα-helixtrans-45.1-45.8-176.8-178.1-94.6000115.4V495 L503 H506 L507 D515 E520 D521 F522 F1436V495-Y518 HydrophobicContact CB-CD2 4.3Å; V495-Y518 HydrophobicContact CB-CE2 3.96Å; V495-Y518 HydrophobicContact CG1-CE2 4.22Å; V495-Y518 HydrophobicContact CG2-CD2 4.33Å; V495-Y518 HydrophobicContact CG2-CE2 4Å; L503-Y518 VanDerWaalsContact CA-OH 3.31Å; L503-Y518 WeakPolarHBondContact CA-OH 3.16Å; L503-Y518 WeakPolarHBondContact CB-OH 3.18Å; L503-Y518 HydrophobicContact CD2-CE2 4.43Å; L503-Y518 VanDerWaalsContact CD2-OH 3.31Å; L503-Y518 WeakPolarHBondContact CD2-OH 3.13Å; L503-Y518 PolarHBondContact O-OH 3.12Å; L503-Y518 VanDerWaalsContact O-OH 3.05Å; H506-Y518 HydrophobicContact CB-CE1 3.97Å; H506-Y518 AromaticContact CD2-CD1 3.84Å; H506-Y518 AromaticContact CD2-CE1 3.69Å; H506-Y518 AromaticContact CD2-CZ 3.99Å; L507-Y518 HydrophobicContact CD2-CD1 4.32Å; L507-Y518 HydrophobicContact CD2-CE1 3.96Å; L507-Y518 HydrophobicContact CG-CE1 4.42Å; D515-Y518 PolarHBondContact OD2-N 3.46Å; Y518-E520 VanDerWaalsContact C-N 3.33Å; Y518-E520 PolarHBondContact O-N 3.35Å; Y518-D521 PolarHBondContact O-N 3.12Å; Y518-F522 HydrophobicContact CE1-CB 4.49Å; Y518-F522 VanDerWaalsContact O-CB 3.25Å; Y518-F522 WeakPolarHBondContact O-CB 3.21Å; Y518-F522 PolarHBondContact O-N 3.38Å; Y518-F1436 HydrophobicContact CD2-CD1 4.13Å; Y518-F1436 AromaticContact CD2-CE1 3.4Å; Y518-F1436 HydrophobicContact CD2-CE1 3.4Å; Y518-F1436 HydrophobicContact CD2-CE2 4.45Å; Y518-F1436 AromaticContact CD2-CZ 3.59Å; Y518-F1436 HydrophobicContact CD2-CZ 3.59Å; Y518-F1436 AromaticContact CE2-CD1 3.91Å; Y518-F1436 HydrophobicContact CE2-CD1 3.91Å; Y518-F1436 HydrophobicContact CE2-CD2 4.21Å; Y518-F1436 AromaticContact CE2-CE1 3.43Å; Y518-F1436 HydrophobicContact CE2-CE1 3.43Å; Y518-F1436 VanDerWaalsContact CE2-CE1 3.43Å; Y518-F1436 AromaticContact CE2-CE2 3.76Å; Y518-F1436 HydrophobicContact CE2-CE2 3.76Å; Y518-F1436 HydrophobicContact CE2-CG 4.28Å; Y518-F1436 AromaticContact CE2-CZ 3.33Å; Y518-F1436 HydrophobicContact CE2-CZ 3.33Å
519P90.7Very high82Confident15 Ų1535.6 Ų35.610%0.09720%0.203CC..Hα-helixtrans-66.8-33.6179.3-19.934.1000113L507 L511 I516 T517 L523 L560L507-P519 HydrophobicContact CD2-CB 4.38Å; L511-P519 HydrophobicContact CD1-CG 3.88Å; I516-P519 WeakPolarHBondContact O-CD 3.46Å; T517-P519 VanDerWaalsContact C-CD 3.45Å; T517-P519 VanDerWaalsContact O-N 3.12Å; P519-L523 VanDerWaalsContact O-CB 3.27Å; P519-L523 WeakPolarHBondContact O-CB 3.48Å; P519-L523 WeakPolarHBondContact O-CD1 3.42Å; P519-L523 WeakPolarHBondContact O-CG 3.43Å; P519-L523 PolarHBondContact O-N 3.03Å; P519-L560 HydrophobicContact CB-CD2 4.38Å
520E90.1Very high82.5Confident63 Ų6335.1 Ų35.129%0.29420%0.196SC..Hα-helixtrans-76.8-41.4177.3-174.2175.9-12800111T517 Y518 F522 L523 L524 L560 N564 R1447T517-E520 WeakPolarHBondContact O-CA 3.48Å; T517-E520 PolarHBondContact O-N 3.16Å; Y518-E520 VanDerWaalsContact C-N 3.33Å; Y518-E520 PolarHBondContact O-N 3.35Å; E520-F522 VanDerWaalsContact C-N 3.35Å; E520-F522 PolarHBondContact O-N 2.86Å; E520-L523 PolarHBondContact O-N 2.96Å; E520-L524 WeakPolarHBondContact O-CB 3.42Å; E520-L524 PolarHBondContact O-N 3.45Å; E520-L560 HydrophobicContact CB-CD2 4.43Å; E520-N564 PolarHBondContact OE1-ND2 3.27Å; E520-N564 VanDerWaalsContact OE1-ND2 3.11Å; E520-R1447 IonicContact OE2-CZ 3Å; E520-R1447 IonicContact OE2-NE 2.59Å; E520-R1447 PolarHBondContact OE2-NE 3.24Å; E520-R1447 IonicContact OE2-NH2 2.72Å; E520-R1447 PolarHBondContact OE2-NH2 2.85Å
521D93.6Very high83.4Confident0 Ų034.4 Ų34.40%019%0.192CC..Hα-helixtrans-61.3-43.3174.7-60.1-33.4000111T517 Y518 T525 F1436 R1440 A1443 R1447T517-D521 VanDerWaalsContact CB-OD2 3.3Å; T517-D521 WeakPolarHBondContact CB-OD2 3.15Å; T517-D521 PolarHBondContact O-N 3.23Å; T517-D521 PolarHBondContact OG1-OD2 3.42Å; Y518-D521 PolarHBondContact O-N 3.12Å; D521-T525 WeakPolarHBondContact O-CB 3.09Å; D521-T525 WeakPolarHBondContact O-CG2 3.42Å; D521-T525 PolarHBondContact O-N 2.94Å; D521-T525 PolarHBondContact O-OG1 3.31Å; D521-F1436 HydrophobicContact CB-CE1 4.21Å; D521-F1436 HydrophobicContact CB-CZ 4.08Å; D521-R1440 IonicContact OD2-NE 3.22Å; D521-A1443 HydrophobicContact CB-CB 3.96Å; D521-A1443 VanDerWaalsContact OD1-CB 3.25Å; D521-A1443 WeakPolarHBondContact OD1-CB 3.47Å; D521-R1447 IonicContact OD1-CZ 2.92Å; D521-R1447 IonicContact OD1-NH1 2.76Å; D521-R1447 PolarHBondContact OD1-NH1 3.21Å; D521-R1447 IonicContact OD1-NH2 3.1Å; D521-R1447 PolarHBondContact OD1-NH2 3.32Å
522F94.7Very high84.4Confident0 Ų034.8 Ų34.80%020%0.198CC..Hα-helixtrans-65.6-48.9176.5-179.5-80.3000112L503 I504 L507 Y518 E520 L524 T525 Y526 F529 I536 F1436L503-F522 HydrophobicContact CB-CD2 4.17Å; L503-F522 HydrophobicContact CB-CE2 3.74Å; I504-F522 HydrophobicContact CG1-CE2 4.29Å; I504-F522 HydrophobicContact CG1-CZ 3.7Å; L507-F522 HydrophobicContact CD1-CD1 3.92Å; L507-F522 HydrophobicContact CD1-CE1 3.81Å; L507-F522 HydrophobicContact CD1-CZ 4.35Å; L507-F522 HydrophobicContact CD2-CB 4.05Å; L507-F522 HydrophobicContact CD2-CD1 3.86Å; L507-F522 HydrophobicContact CD2-CG 3.91Å; L507-F522 HydrophobicContact CG-CD1 4.29Å; L507-F522 HydrophobicContact CG-CG 4.48Å; Y518-F522 HydrophobicContact CE1-CB 4.49Å; Y518-F522 VanDerWaalsContact O-CB 3.25Å; Y518-F522 WeakPolarHBondContact O-CB 3.21Å; Y518-F522 PolarHBondContact O-N 3.38Å; E520-F522 VanDerWaalsContact C-N 3.35Å; E520-F522 PolarHBondContact O-N 2.86Å; F522-L524 PolarHBondContact O-N 3.42Å; F522-T525 PolarHBondContact O-N 3.2Å; F522-T525 VanDerWaalsContact O-N 3.07Å; F522-Y526 PolarHBondContact O-N 3.12Å; F522-F529 HydrophobicContact CD2-CZ 4.24Å; F522-F529 HydrophobicContact CE2-CE2 4.25Å; F522-F529 AromaticContact CE2-CZ 3.69Å; F522-F529 HydrophobicContact CE2-CZ 3.69Å; F522-F529 HydrophobicContact CZ-CZ 4.25Å; F522-I536 HydrophobicContact CE1-CD1 3.87Å; F522-I536 HydrophobicContact CE1-CG1 4.22Å; F522-I536 HydrophobicContact CE1-CG2 4.39Å; F522-I536 HydrophobicContact CZ-CD1 4.29Å; F522-I536 HydrophobicContact CZ-CG1 4.38Å; F522-F1436 HydrophobicContact CB-CE2 4.23Å; F522-F1436 HydrophobicContact CB-CZ 4.12Å; F522-F1436 HydrophobicContact CD2-CE2 4.12Å
523L93.4Very high85.8Confident1 Ų130.7 Ų30.71%0.00517%0.169CC..Hα-helixtrans-67-25.7-178.2-72.1172.9000113P519 E520 Y526 I557 L560 W561 H565P519-L523 VanDerWaalsContact O-CB 3.27Å; P519-L523 WeakPolarHBondContact O-CB 3.48Å; P519-L523 WeakPolarHBondContact O-CD1 3.42Å; P519-L523 WeakPolarHBondContact O-CG 3.43Å; P519-L523 PolarHBondContact O-N 3.03Å; E520-L523 PolarHBondContact O-N 2.96Å; L523-Y526 VanDerWaalsContact O-CD1 3.3Å; L523-Y526 WeakPolarHBondContact O-CD1 3.46Å; L523-Y526 WeakPolarHBondContact O-CE1 3.49Å; L523-I557 HydrophobicContact CD1-CG2 4.29Å; L523-L560 HydrophobicContact CD1-CD2 4.31Å; L523-L560 HydrophobicContact CD1-CG 4.4Å; L523-W561 HydrophobicContact CD1-CB 3.8Å; L523-W561 HydrophobicContact CD1-CG 4.25Å; L523-W561 HydrophobicContact CD2-CB 4.07Å; L523-W561 HydrophobicContact CD2-CD2 3.54Å; L523-W561 HydrophobicContact CD2-CE3 3.76Å; L523-W561 HydrophobicContact CD2-CG 3.69Å; L523-W561 HydrophobicContact CD2-CZ3 4.39Å; L523-W561 HydrophobicContact CG-CG 4.45Å; L523-H565 PolarHBondContact O-CD2 2.82Å
524L94Very high87.4Confident9 Ų931.1 Ų31.15%0.04716%0.163CC..Hα-helixtrans-75.3-33.1170.5176.159.3000112.6E520 F522 R527 S1257 I1261 A1443 V1446E520-L524 WeakPolarHBondContact O-CB 3.42Å; E520-L524 PolarHBondContact O-N 3.45Å; F522-L524 PolarHBondContact O-N 3.42Å; L524-R527 PolarHBondContact O-NH1 2.95Å; L524-S1257 WeakPolarHBondContact CD1-O 3.49Å; L524-I1261 HydrophobicContact CD1-CG1 3.88Å; L524-I1261 HydrophobicContact CG-CG1 4.12Å; L524-A1443 HydrophobicContact CD2-CB 3.9Å; L524-V1446 HydrophobicContact CD2-CB 4.02Å; L524-V1446 HydrophobicContact CD2-CG1 3.87Å
525T94Very high88.6Confident0 Ų033.4 Ų33.40%018%0.176CC..Hα-helixtrans-113.5-9.3-164.561.10000116.2D521 F522 R527 T528 L1439 A1443D521-T525 WeakPolarHBondContact O-CB 3.09Å; D521-T525 WeakPolarHBondContact O-CG2 3.42Å; D521-T525 PolarHBondContact O-N 2.94Å; D521-T525 PolarHBondContact O-OG1 3.31Å; F522-T525 PolarHBondContact O-N 3.2Å; F522-T525 VanDerWaalsContact O-N 3.07Å; T525-R527 PolarHBondContact O-N 3.11Å; T525-T528 WeakPolarHBondContact O-CB 3.4Å; T525-T528 WeakPolarHBondContact O-CG2 3.39Å; T525-T528 PolarHBondContact O-N 3.47Å; T525-T528 PolarHBondContact O-OG1 2.97Å; T525-L1439 HydrophobicContact CG2-CB 4.08Å; T525-L1439 HydrophobicContact CG2-CD2 4.48Å; T525-A1443 HydrophobicContact CG2-CB 4.29Å
526Y93Very high89.6Confident0 Ų032.4 Ų32.40%017%0.171CC..G310 helixtrans-53.4-32.4-177.977.3-87.5000113.6F522 L523 T528 F529 L530 P533 I536 W561 D568F522-Y526 PolarHBondContact O-N 3.12Å; L523-Y526 VanDerWaalsContact O-CD1 3.3Å; L523-Y526 WeakPolarHBondContact O-CD1 3.46Å; L523-Y526 WeakPolarHBondContact O-CE1 3.49Å; Y526-T528 PolarHBondContact O-N 3.35Å; Y526-F529 PolarHBondContact O-N 3.31Å; Y526-L530 HydrophobicContact CD2-CB 4.36Å; Y526-L530 HydrophobicContact CD2-CD1 4.28Å; Y526-L530 PolarHBondContact O-N 3.12Å; Y526-P533 HydrophobicContact CE2-CB 3.72Å; Y526-I536 HydrophobicContact CD1-CD1 4.14Å; Y526-I536 HydrophobicContact CD2-CD1 3.43Å; Y526-I536 VanDerWaalsContact CD2-CD1 3.43Å; Y526-I536 HydrophobicContact CE2-CD1 4.02Å; Y526-I536 HydrophobicContact CG-CD1 3.52Å; Y526-W561 AromaticContact CE1-CZ2 3.97Å; Y526-W561 HydrophobicContact CE1-CZ2 3.97Å; Y526-W561 AromaticContact CZ-CZ2 3.88Å; Y526-D568 VanDerWaalsContact CE1-OD2 3.29Å; Y526-D568 WeakPolarHBondContact CE1-OD2 3.46Å; Y526-D568 PolarHBondContact OH-OD1 2.88Å; Y526-D568 PolarHBondContact OH-OD2 3.41Å
527R90.9Very high90Very high0 Ų025.6 Ų25.60%014%0.136CC..G310 helixtrans-62.1-11179.471.1175.36874.913.6114.7L524 T525 D568 T1258 I1261 D1262 L1267 G1290 Y1291L524-R527 PolarHBondContact O-NH1 2.95Å; T525-R527 PolarHBondContact O-N 3.11Å; R527-D568 IonicContact CZ-OD1 3.77Å; R527-D568 IonicContact NE-OD1 3.21Å; R527-D568 IonicContact NH2-OD1 2.77Å; R527-D568 PolarHBondContact NH2-OD1 3.27Å; R527-D568 IonicContact NH2-OD2 2.71Å; R527-D568 PolarHBondContact NH2-OD2 2.95Å; R527-T1258 VanDerWaalsContact NH2-CG2 3.3Å; R527-I1261 HydrophobicContact CG-CG2 4.12Å; R527-D1262 WeakPolarHBondContact CD-OD1 3.25Å; R527-D1262 IonicContact NE-OD1 3.77Å; R527-L1267 HydrophobicContact CG-CD1 4.07Å; R527-G1290 CarbonylContact O-C 3.56Å; R527-G1290 WeakPolarHBondContact O-CA 3.36Å; R527-Y1291 VanDerWaalsContact CB-O 3.3Å; R527-Y1291 WeakPolarHBondContact CB-O 3.28Å; R527-Y1291 WeakPolarHBondContact CD-O 3.49Å; R527-Y1291 PolarHBondContact O-N 2.8Å; R527-Y1291 VanDerWaalsContact O-N 3.1Å
528T90.2Very high90.2Very high21 Ų2126.1 Ų26.113%0.12914%0.137CC..G310 helixtrans-86.4-10.6176.164.90000114.1T525 Y526 I1261 F1265T525-T528 WeakPolarHBondContact O-CB 3.4Å; T525-T528 WeakPolarHBondContact O-CG2 3.39Å; T525-T528 PolarHBondContact O-N 3.47Å; T525-T528 PolarHBondContact O-OG1 2.97Å; Y526-T528 PolarHBondContact O-N 3.35Å; T528-I1261 HydrophobicContact CG2-CG2 3.52Å; T528-F1265 HydrophobicContact CG2-CD1 3.79Å; T528-F1265 HydrophobicContact CG2-CD2 3.75Å; T528-F1265 HydrophobicContact CG2-CE1 3.71Å; T528-F1265 HydrophobicContact CG2-CE2 3.67Å; T528-F1265 HydrophobicContact CG2-CG 3.81Å; T528-F1265 HydrophobicContact CG2-CZ 3.65Å
529F90.8Very high90.1Very high31 Ų3129.5 Ų29.514%0.13615%0.15CC..THydrogen-bonded Turntrans-141.97.7-179.864.2-95.2000114.3P500 L503 F522 Y526 V1434 L1439P500-F529 HydrophobicContact CB-CD2 4.08Å; P500-F529 HydrophobicContact CB-CE2 4.18Å; P500-F529 HydrophobicContact CG-CD2 4.14Å; L503-F529 HydrophobicContact CD1-CE2 4.29Å; L503-F529 HydrophobicContact CD1-CZ 4.15Å; F522-F529 HydrophobicContact CD2-CZ 4.24Å; F522-F529 HydrophobicContact CE2-CE2 4.25Å; F522-F529 AromaticContact CE2-CZ 3.69Å; F522-F529 HydrophobicContact CE2-CZ 3.69Å; F522-F529 HydrophobicContact CZ-CZ 4.25Å; Y526-F529 PolarHBondContact O-N 3.31Å; F529-V1434 HydrophobicContact CB-CG1 4.33Å; F529-V1434 HydrophobicContact CB-CG2 4.03Å; F529-V1434 HydrophobicContact CD1-CG1 3.77Å; F529-V1434 HydrophobicContact CD2-CG2 4.1Å; F529-V1434 HydrophobicContact CE1-CG1 4.18Å; F529-V1434 HydrophobicContact CG-CG1 3.99Å; F529-V1434 HydrophobicContact CG-CG2 4.02Å; F529-L1439 HydrophobicContact CD1-CD1 3.72Å; F529-L1439 HydrophobicContact CE1-CD1 3.53Å
530L88.7Confident90.1Very high22 Ų2228.8 Ų28.812%0.11515%0.145CC..  trans-133.6127.4173.3-68.1177.5000109.9P500 I504 Y526 S532 I536 Y1291P500-L530 HydrophobicContact CB-CD2 4.08Å; I504-L530 HydrophobicContact CD1-CD1 4.26Å; Y526-L530 HydrophobicContact CD2-CB 4.36Å; Y526-L530 HydrophobicContact CD2-CD1 4.28Å; Y526-L530 PolarHBondContact O-N 3.12Å; L530-S532 PolarHBondContact O-N 3.3Å; L530-I536 HydrophobicContact CD1-CD1 3.91Å; L530-I536 HydrophobicContact CD1-CG1 3.9Å; L530-Y1291 PolarHBondContact O-N 2.94Å
531D82Confident90Very high109 Ų10925.9 Ų25.958%0.58313%0.131SC*.SBendtrans-67.8-14.5177.4-51.2-57.3000113.5T1289 G1290D531-T1289 WeakPolarHBondContact OD1-CA 3.44Å; D531-T1289 WeakPolarHBondContact OD1-CB 3.43Å; D531-G1290 PolarHBondContact OD1-N 3.29Å
532S84.4Confident89.8Confident42 Ų4227.9 Ų27.929%0.29415%0.145SC..  trans-154142.9-178.3-177.80000111.5L530 R534 P535L530-S532 PolarHBondContact O-N 3.3Å; S532-R534 PolarHBondContact O-N 2.87Å; S532-R534 WeakPolarHBondContact OG-CB 3.47Å; S532-R534 PolarHBondContact OG-N 3.16Å; S532-P535 WeakPolarHBondContact O-CD 3.5Å
533P88.1Confident89.5Confident0 Ų029.6 Ų29.60%015%0.152CC..SBendtrans-68.1-16.9169.224.7-33.5000114.5Y526 P535 I536 V537 W561 M575 Y1291Y526-P533 HydrophobicContact CE2-CB 3.72Å; P533-P535 VanDerWaalsContact C-CD 3.49Å; P533-I536 WeakPolarHBondContact O-CB 3.24Å; P533-I536 PolarHBondContact O-N 3.43Å; P533-I536 VanDerWaalsContact O-N 3.08Å; P533-V537 PolarHBondContact O-N 3.32Å; P533-W561 HydrophobicContact CB-CH2 3.73Å; P533-W561 HydrophobicContact CB-CZ2 3.67Å; P533-M575 HydrophobicContact CB-CE 3.58Å; P533-M575 HydrophobicContact CB-SD 3.84Å; P533-M575 HydrophobicContact CG-CE 3.72Å; P533-M575 HydrophobicContact CG-CG 3.78Å; P533-M575 HydrophobicContact CG-SD 3.59Å; P533-M575 VanDerWaalsContact CG-SD 3.59Å; P533-Y1291 HydrophobicContact CG-CD1 4.31Å; P533-Y1291 HydrophobicContact CG-CE1 4.07Å; P533-Y1291 HydrophobicContact CG-CE2 4.33Å
534R86.5Confident89.1Confident103 Ų10329.7 Ų29.739%0.38915%0.152SC..Hα-helixtrans-54.2-43.2-172.1-174.8174.9179.8164.47.1115.1S532 I536 V537 D538 E574S532-R534 PolarHBondContact O-N 2.87Å; S532-R534 WeakPolarHBondContact OG-CB 3.47Å; S532-R534 PolarHBondContact OG-N 3.16Å; R534-I536 PolarHBondContact O-N 2.99Å; R534-V537 PolarHBondContact O-N 3.03Å; R534-V537 VanDerWaalsContact O-N 3.16Å; R534-D538 WeakPolarHBondContact CG-OD2 3.08Å; R534-D538 IonicContact NE-OD2 3.67Å; R534-D538 PolarHBondContact O-N 2.74Å; R534-E574 IonicContact CZ-OE1 3.17Å; R534-E574 IonicContact CZ-OE2 3.89Å; R534-E574 IonicContact NH1-OE1 2.65Å; R534-E574 PolarHBondContact NH1-OE1 3.18Å; R534-E574 IonicContact NH1-OE2 4Å; R534-E574 PolarHBondContact NH1-OE2 3.28Å; R534-E574 IonicContact NH2-OE1 2.73Å
535P88.2Confident88.7Confident61 Ų6133.5 Ų33.540%0.39617%0.172SC..Hα-helixtrans-62.9-26.9179.1-22.535.4000114S532 P533 R539S532-P535 WeakPolarHBondContact O-CD 3.5Å; P533-P535 VanDerWaalsContact C-CD 3.49Å; P535-R539 WeakPolarHBondContact O-CB 3.35Å; P535-R539 WeakPolarHBondContact O-CG 3.47Å; P535-R539 PolarHBondContact O-N 3.34Å
536I91.5Very high88.3Confident0 Ų040.3 Ų40.30%020%0.204CC..Hα-helixtrans-69.2-50175.1-54.5163000108.9I504 L507 F522 Y526 L530 P533 R534 R539 L540 W561I504-I536 HydrophobicContact CD1-CG1 4.3Å; I504-I536 HydrophobicContact CG1-CG1 4.26Å; L507-I536 HydrophobicContact CD1-CG2 4.29Å; F522-I536 HydrophobicContact CE1-CD1 3.87Å; F522-I536 HydrophobicContact CE1-CG1 4.22Å; F522-I536 HydrophobicContact CE1-CG2 4.39Å; F522-I536 HydrophobicContact CZ-CD1 4.29Å; F522-I536 HydrophobicContact CZ-CG1 4.38Å; Y526-I536 HydrophobicContact CD1-CD1 4.14Å; Y526-I536 HydrophobicContact CD2-CD1 3.43Å; Y526-I536 VanDerWaalsContact CD2-CD1 3.43Å; Y526-I536 HydrophobicContact CE2-CD1 4.02Å; Y526-I536 HydrophobicContact CG-CD1 3.52Å; L530-I536 HydrophobicContact CD1-CD1 3.91Å; L530-I536 HydrophobicContact CD1-CG1 3.9Å; P533-I536 WeakPolarHBondContact O-CB 3.24Å; P533-I536 PolarHBondContact O-N 3.43Å; P533-I536 VanDerWaalsContact O-N 3.08Å; R534-I536 PolarHBondContact O-N 2.99Å; I536-R539 PolarHBondContact O-N 2.97Å; I536-L540 HydrophobicContact CG2-CD1 3.9Å; I536-L540 HydrophobicContact CG2-CG 4.42Å; I536-L540 WeakPolarHBondContact O-CB 3.49Å; I536-L540 WeakPolarHBondContact O-CG 3.33Å; I536-L540 PolarHBondContact O-N 2.68Å; I536-W561 HydrophobicContact CB-CH2 4.03Å; I536-W561 HydrophobicContact CB-CZ3 4.09Å; I536-W561 HydrophobicContact CD1-CH2 4.02Å; I536-W561 HydrophobicContact CG2-CH2 4.12Å; I536-W561 HydrophobicContact CG2-CZ3 3.75Å
537V88.8Confident87.9Confident8 Ų844 Ų445%0.04822%0.223CC..Hα-helixtrans-67.5-43.7-177.2-169.10000111.5P533 R534 R539 L540 L541 W561 M575 C578P533-V537 PolarHBondContact O-N 3.32Å; R534-V537 PolarHBondContact O-N 3.03Å; R534-V537 VanDerWaalsContact O-N 3.16Å; V537-R539 VanDerWaalsContact C-N 3.31Å; V537-R539 PolarHBondContact O-N 3.47Å; V537-L540 PolarHBondContact O-N 2.81Å; V537-L541 HydrophobicContact CG1-CD1 3.88Å; V537-L541 HydrophobicContact CG1-CG 3.96Å; V537-L541 WeakPolarHBondContact O-CB 3.43Å; V537-L541 VanDerWaalsContact O-CG 3.3Å; V537-L541 WeakPolarHBondContact O-CG 3.35Å; V537-L541 PolarHBondContact O-N 2.85Å; V537-W561 HydrophobicContact CG2-CH2 3.72Å; V537-W561 HydrophobicContact CG2-CZ3 3.5Å; V537-M575 HydrophobicContact CG2-CE 3.59Å; V537-M575 HydrophobicContact CG2-SD 3.95Å; V537-C578 HydrophobicContact CB-CB 4.43Å; V537-C578 HydrophobicContact CG1-CB 3.73Å
538D89.3Confident87.4Confident63 Ų6348.4 Ų48.434%0.33725%0.252SS..Hα-helixtrans-61.7-38.1177.6-84-41.6000111.8R534 S542R534-D538 WeakPolarHBondContact CG-OD2 3.08Å; R534-D538 IonicContact NE-OD2 3.67Å; R534-D538 PolarHBondContact O-N 2.74Å; D538-S542 WeakPolarHBondContact O-CB 3.47Å; D538-S542 PolarHBondContact O-N 3.47Å
539R89.2Confident87Confident72 Ų7256.8 Ų56.827%0.27229%0.287SS..Hα-helixtrans-64.2-50170.9-79.5179.7172.3-128-3112E501 I504 E505 P535 I536 V537 L541 S542 W543E501-R539 PolarHBondContact O-NH1 2.98Å; I504-R539 HydrophobicContact CG2-CB 4.06Å; I504-R539 VanDerWaalsContact CG2-CD 3.5Å; I504-R539 HydrophobicContact CG2-CG 4.4Å; E505-R539 IonicContact OE1-CZ 2.74Å; E505-R539 IonicContact OE1-NH1 2.68Å; E505-R539 PolarHBondContact OE1-NH1 3.39Å; E505-R539 IonicContact OE1-NH2 3.94Å; P535-R539 WeakPolarHBondContact O-CB 3.35Å; P535-R539 WeakPolarHBondContact O-CG 3.47Å; P535-R539 PolarHBondContact O-N 3.34Å; I536-R539 PolarHBondContact O-N 2.97Å; V537-R539 VanDerWaalsContact C-N 3.31Å; V537-R539 PolarHBondContact O-N 3.47Å; R539-L541 PolarHBondContact O-N 3.21Å; R539-S542 WeakPolarHBondContact O-CB 3.37Å; R539-S542 PolarHBondContact O-N 3.04Å; R539-S542 VanDerWaalsContact O-N 3.16Å; R539-S542 PolarHBondContact O-OG 3.25Å; R539-W543 HydrophobicContact CB-CH2 3.98Å; R539-W543 HydrophobicContact CB-CZ2 4.17Å; R539-W543 HydrophobicContact CB-CZ3 4.18Å; R539-W543 PolarHBondContact O-N 3.21Å
540L90.5Very high86.7Confident0 Ų056.7 Ų56.70%029%0.287CS..Hα-helixtrans-58-47.4178.9-73.9171.4000112.4I536 V537 S542 W543 H544 V554 I557 I558I536-L540 HydrophobicContact CG2-CD1 3.9Å; I536-L540 HydrophobicContact CG2-CG 4.42Å; I536-L540 WeakPolarHBondContact O-CB 3.49Å; I536-L540 WeakPolarHBondContact O-CG 3.33Å; I536-L540 PolarHBondContact O-N 2.68Å; V537-L540 PolarHBondContact O-N 2.81Å; L540-S542 VanDerWaalsContact C-N 3.35Å; L540-S542 PolarHBondContact O-N 3.45Å; L540-W543 HydrophobicContact CD2-CE3 4.12Å; L540-W543 HydrophobicContact CD2-CZ3 4.15Å; L540-W543 PolarHBondContact O-N 3.13Å; L540-H544 PolarHBondContact O-N 2.79Å; L540-V554 HydrophobicContact CB-CG1 4.06Å; L540-V554 HydrophobicContact CD2-CG1 4.26Å; L540-V554 HydrophobicContact CD2-CG2 4.24Å; L540-I557 HydrophobicContact CD1-CG2 4.15Å; L540-I557 HydrophobicContact CD2-CG2 4.3Å; L540-I558 HydrophobicContact CB-CD1 4.38Å; L540-I558 HydrophobicContact CD1-CG1 4.05Å
541L88.4Confident86.5Confident2 Ų258.4 Ų58.41%0.0129%0.292CS..Hα-helixtrans-62.9-40.1175.9-66.9179.4000111.6V537 R539 W543 H544 L545 K581 F582 M585V537-L541 HydrophobicContact CG1-CD1 3.88Å; V537-L541 HydrophobicContact CG1-CG 3.96Å; V537-L541 WeakPolarHBondContact O-CB 3.43Å; V537-L541 VanDerWaalsContact O-CG 3.3Å; V537-L541 WeakPolarHBondContact O-CG 3.35Å; V537-L541 PolarHBondContact O-N 2.85Å; R539-L541 PolarHBondContact O-N 3.21Å; L541-W543 VanDerWaalsContact C-N 3.32Å; L541-W543 PolarHBondContact O-N 3.28Å; L541-H544 PolarHBondContact O-N 3.26Å; L541-L545 WeakPolarHBondContact O-CG 3.35Å; L541-L545 PolarHBondContact O-N 3.06Å; L541-K581 HydrophobicContact CD1-CD 3.85Å; L541-K581 HydrophobicContact CD1-CG 4.22Å; L541-F582 HydrophobicContact CD2-CB 3.96Å; L541-F582 HydrophobicContact CD2-CD2 3.81Å; L541-F582 HydrophobicContact CD2-CG 4.31Å; L541-M585 HydrophobicContact CB-CE 4.48Å; L541-M585 HydrophobicContact CD2-CE 3.92Å; L541-M585 HydrophobicContact CD2-SD 3.93Å
542S89.3Confident86.6Confident42 Ų4257 Ų5729%0.29429%0.291SS..Hα-helixtrans-60.7-40.5175.683.10000112.1D538 R539 L540 L545 H546D538-S542 WeakPolarHBondContact O-CB 3.47Å; D538-S542 PolarHBondContact O-N 3.47Å; R539-S542 WeakPolarHBondContact O-CB 3.37Å; R539-S542 PolarHBondContact O-N 3.04Å; R539-S542 VanDerWaalsContact O-N 3.16Å; R539-S542 PolarHBondContact O-OG 3.25Å; L540-S542 VanDerWaalsContact C-N 3.35Å; L540-S542 PolarHBondContact O-N 3.45Å; S542-L545 PolarHBondContact O-N 2.97Å; S542-H546 PolarHBondContact O-N 3.23Å; S542-H546 PolarHBondContact O-ND1 3.25Å
543W87.9Confident86.6Confident36 Ų3657.9 Ų57.914%0.13629%0.288CS..Hα-helixtrans-72.2-36.9178.3-62.9-36.5000112.6I504 E505 I508 R539 L540 L541 L545 N547 L550 V554I504-W543 HydrophobicContact CG2-CH2 4Å; I504-W543 HydrophobicContact CG2-CZ3 4.37Å; I504-W543 WeakPolarHBondContact O-CH2 3.31Å; E505-W543 HydrophobicContact CG-CH2 4.37Å; E505-W543 HydrophobicContact CG-CZ2 4Å; I508-W543 HydrophobicContact CB-CE3 4.34Å; I508-W543 HydrophobicContact CB-CZ3 4.45Å; I508-W543 HydrophobicContact CD1-CD2 3.49Å; I508-W543 VanDerWaalsContact CD1-CD2 3.49Å; I508-W543 HydrophobicContact CD1-CE3 3.76Å; I508-W543 HydrophobicContact CD1-CG 3.95Å; I508-W543 HydrophobicContact CD1-CH2 4.12Å; I508-W543 HydrophobicContact CD1-CZ2 3.9Å; I508-W543 HydrophobicContact CD1-CZ3 4.06Å; I508-W543 HydrophobicContact CG1-CD2 4.24Å; I508-W543 HydrophobicContact CG1-CE3 3.98Å; I508-W543 HydrophobicContact CG1-CH2 4.08Å; I508-W543 HydrophobicContact CG1-CZ2 4.33Å; I508-W543 HydrophobicContact CG1-CZ3 3.9Å; I508-W543 HydrophobicContact CG2-CD2 4.29Å; I508-W543 HydrophobicContact CG2-CE3 3.48Å; I508-W543 VanDerWaalsContact CG2-CE3 3.48Å; I508-W543 HydrophobicContact CG2-CZ3 3.74Å; R539-W543 HydrophobicContact CB-CH2 3.98Å; R539-W543 HydrophobicContact CB-CZ2 4.17Å; R539-W543 HydrophobicContact CB-CZ3 4.18Å; R539-W543 PolarHBondContact O-N 3.21Å; L540-W543 HydrophobicContact CD2-CE3 4.12Å; L540-W543 HydrophobicContact CD2-CZ3 4.15Å; L540-W543 PolarHBondContact O-N 3.13Å; L541-W543 VanDerWaalsContact C-N 3.32Å; L541-W543 PolarHBondContact O-N 3.28Å; W543-L545 VanDerWaalsContact C-N 3.33Å; W543-L545 PolarHBondContact O-N 2.9Å; W543-N547 WeakPolarHBondContact O-CA 3.35Å; W543-N547 WeakPolarHBondContact O-CB 3.45Å; W543-N547 PolarHBondContact O-N 2.93Å; W543-L550 HydrophobicContact CB-CD1 4.35Å; W543-V554 HydrophobicContact CB-CG2 4.41Å
544H86.1Confident86.7Confident2 Ų257.9 Ų57.91%0.00929%0.288CS..Hα-helixtrans-60.7-43.6172.6-175.1117000111L540 L541 R551 V554 N555 F582 M585 D589L540-H544 PolarHBondContact O-N 2.79Å; L541-H544 PolarHBondContact O-N 3.26Å; H544-R551 WeakPolarHBondContact O-CG 3.48Å; H544-R551 PolarHBondContact O-NE 3.11Å; H544-R551 PolarHBondContact O-NH2 3.15Å; H544-V554 HydrophobicContact CB-CB 4.48Å; H544-V554 HydrophobicContact CB-CG1 4.12Å; H544-N555 PolarHBondContact CE1-OD1 2.94Å; H544-N555 PolarHBondContact ND1-OD1 2.91Å; H544-F582 AromaticContact ND1-CE2 3.9Å; H544-M585 HydrophobicContact CB-CE 3.82Å; H544-M585 WeakPolarHBondContact CD2-CE 3.43Å; H544-D589 IonicContact NE2-OD2 2.78Å
545L84.5Confident86.8Confident89 Ų8953.1 Ų53.147%0.46627%0.27SS..Hα-helixtrans-63.9-54.4177.1-70.8170.3000112.4L541 S542 W543 R551 M585L541-L545 WeakPolarHBondContact O-CG 3.35Å; L541-L545 PolarHBondContact O-N 3.06Å; S542-L545 PolarHBondContact O-N 2.97Å; W543-L545 VanDerWaalsContact C-N 3.33Å; W543-L545 PolarHBondContact O-N 2.9Å; L545-R551 PolarHBondContact O-NH2 3.16Å; L545-M585 HydrophobicContact CD2-CE 3.86Å; L545-M585 HydrophobicContact CD2-CG 4.42Å; L545-M585 HydrophobicContact CD2-SD 4.11Å; L545-M585 HydrophobicContact CG-CE 3.74Å; L545-M585 HydrophobicContact CG-SD 4.25Å
546H85.3Confident86.7Confident144 Ų14456.9 Ų56.967%0.66728%0.276SS*.Hα-helixtrans-83.7-29.5-169.1-6390.4000114.7S542 P548S542-H546 PolarHBondContact O-N 3.23Å; S542-H546 PolarHBondContact O-ND1 3.25Å; H546-P548 WeakPolarHBondContact O-CD 3.5Å
547N84.5Confident86.6Confident77 Ų7757.2 Ų57.241%0.41228%0.278SS..  trans-120.587.9-169.9-75.2-46.5000111.7W543 K549 L550W543-N547 WeakPolarHBondContact O-CA 3.35Å; W543-N547 WeakPolarHBondContact O-CB 3.45Å; W543-N547 PolarHBondContact O-N 2.93Å; N547-K549 PolarHBondContact O-N 3.33Å; N547-L550 HydrophobicContact CB-CB 4.26Å; N547-L550 HydrophobicContact CB-CD1 3.78Å; N547-L550 HydrophobicContact CB-CG 4.03Å; N547-L550 PolarHBondContact O-N 2.69Å
548P80.4Confident86.7Confident92 Ų9257.1 Ų57.160%0.59728%0.277SS*.G310 helixtrans-58.6-26.2-176.121.2-32.9000114.1H546 L550H546-P548 WeakPolarHBondContact O-CD 3.5Å; P548-L550 VanDerWaalsContact C-N 3.26Å; P548-L550 PolarHBondContact O-N 2.74Å
549K82.8Confident86.6Confident197 Ų19755.2 Ų55.286%0.85727%0.267SS*.G310 helixtrans-66.6-21.7175-64.6-177.9-178.4175.20114.4N547N547-K549 PolarHBondContact O-N 3.33Å
550L84Confident86.4Confident29 Ų2954.1 Ų54.115%0.15227%0.266CS..G310 helixtrans-96.8-12.7-176.5-64.1178.6000113.2I508 W543 N547 P548 S552 R553 V554I508-L550 HydrophobicContact CB-CD1 4.39Å; I508-L550 HydrophobicContact CB-CD2 4.49Å; I508-L550 HydrophobicContact CD1-CD1 3.63Å; W543-L550 HydrophobicContact CB-CD1 4.35Å; N547-L550 HydrophobicContact CB-CB 4.26Å; N547-L550 HydrophobicContact CB-CD1 3.78Å; N547-L550 HydrophobicContact CB-CG 4.03Å; N547-L550 PolarHBondContact O-N 2.69Å; P548-L550 VanDerWaalsContact C-N 3.26Å; P548-L550 PolarHBondContact O-N 2.74Å; L550-S552 PolarHBondContact O-N 2.85Å; L550-R553 PolarHBondContact O-N 2.56Å; L550-V554 PolarHBondContact O-N 3.13Å
551R85.9Confident86.4Confident59 Ų5954.2 Ų54.222%0.22327%0.267CS..Hα-helixtrans-53.1-52.2-171.4-70.2-179.9176.5-169.5-10.3113.1H544 L545 R553 V554 N555 D589H544-R551 WeakPolarHBondContact O-CG 3.48Å; H544-R551 PolarHBondContact O-NE 3.11Å; H544-R551 PolarHBondContact O-NH2 3.15Å; L545-R551 PolarHBondContact O-NH2 3.16Å; R551-R553 VanDerWaalsContact C-N 3.27Å; R551-R553 PolarHBondContact O-N 3.38Å; R551-V554 PolarHBondContact O-N 3.33Å; R551-V554 VanDerWaalsContact O-N 3.1Å; R551-N555 WeakPolarHBondContact O-CB 3.32Å; R551-N555 PolarHBondContact O-N 2.65Å; R551-N555 PolarHBondContact O-OD1 3.3Å; R551-D589 WeakPolarHBondContact CD-OD2 3.35Å; R551-D589 IonicContact CZ-OD1 3.25Å; R551-D589 IonicContact CZ-OD2 2.73Å; R551-D589 IonicContact NE-OD2 3.06Å; R551-D589 IonicContact NH1-OD1 2.72Å; R551-D589 PolarHBondContact NH1-OD1 3.42Å; R551-D589 IonicContact NH1-OD2 3.38Å; R551-D589 PolarHBondContact NH1-OD2 3.38Å; R551-D589 IonicContact NH2-OD1 3.26Å
552S82.6Confident86.4Confident78 Ų7854.1 Ų54.155%0.54527%0.266SS..Hα-helixtrans-61.2-30.3179.255.80000114L550 R556L550-S552 PolarHBondContact O-N 2.85Å; S552-R556 WeakPolarHBondContact O-CB 3.35Å; S552-R556 PolarHBondContact O-N 2.76Å; S552-R556 VanDerWaalsContact O-N 3.11Å
553R85.9Confident86.1Confident62 Ų6254.9 Ų54.923%0.23427%0.265CS..Hα-helixtrans-74.3-44172.1174.9151.658.7-142.9-2.6111.5I508 A509 D510 L550 R551 N555 R556 I557I508-R553 VanDerWaalsContact O-CZ 3.27Å; I508-R553 PolarHBondContact O-NE 3.06Å; I508-R553 PolarHBondContact O-NH2 2.97Å; A509-R553 PolarHBondContact O-NH1 3.37Å; A509-R553 VanDerWaalsContact O-NH1 3.13Å; A509-R553 PolarHBondContact O-NH2 3.17Å; D510-R553 IonicContact OD1-CZ 3.65Å; D510-R553 IonicContact OD1-NH1 3.91Å; D510-R553 PolarHBondContact OD1-NH1 3.12Å; D510-R553 IonicContact OD1-NH2 3.6Å; D510-R553 PolarHBondContact OD1-NH2 3.02Å; L550-R553 PolarHBondContact O-N 2.56Å; R551-R553 VanDerWaalsContact C-N 3.27Å; R551-R553 PolarHBondContact O-N 3.38Å; R553-N555 VanDerWaalsContact C-N 3.29Å; R553-N555 PolarHBondContact O-N 3.11Å; R553-R556 PolarHBondContact O-N 2.95Å; R553-I557 HydrophobicContact CG-CD1 3.68Å; R553-I557 HydrophobicContact CG-CG1 4.41Å; R553-I557 WeakPolarHBondContact O-CD1 3.45Å; R553-I557 VanDerWaalsContact O-CG1 3.27Å; R553-I557 WeakPolarHBondContact O-CG1 3.14Å; R553-I557 PolarHBondContact O-N 3.42Å
554V89.5Confident86Confident0 Ų055.3 Ų55.30%027%0.27CS..Hα-helixtrans-58.3-44.2173.7173.40000110.7I508 L540 W543 H544 L550 R551 R556 I557 I558I508-V554 HydrophobicContact CG2-CG2 4.31Å; L540-V554 HydrophobicContact CB-CG1 4.06Å; L540-V554 HydrophobicContact CD2-CG1 4.26Å; L540-V554 HydrophobicContact CD2-CG2 4.24Å; W543-V554 HydrophobicContact CB-CG2 4.41Å; H544-V554 HydrophobicContact CB-CB 4.48Å; H544-V554 HydrophobicContact CB-CG1 4.12Å; L550-V554 PolarHBondContact O-N 3.13Å; R551-V554 PolarHBondContact O-N 3.33Å; R551-V554 VanDerWaalsContact O-N 3.1Å; V554-R556 PolarHBondContact O-N 3.33Å; V554-I557 PolarHBondContact O-N 2.99Å; V554-I557 VanDerWaalsContact O-N 3.14Å; V554-I558 HydrophobicContact CG1-CD1 3.7Å; V554-I558 HydrophobicContact CG1-CG1 4.35Å; V554-I558 WeakPolarHBondContact O-CG1 3.4Å; V554-I558 PolarHBondContact O-N 3.47Å
555N88.1Confident86Confident3 Ų355.4 Ų55.42%0.01627%0.27CS..Hα-helixtrans-62.3-43.6179.4-59.6-2.6000110.8H544 R551 R553 I557 L559 F582 L586 E594H544-N555 PolarHBondContact CE1-OD1 2.94Å; H544-N555 PolarHBondContact ND1-OD1 2.91Å; R551-N555 WeakPolarHBondContact O-CB 3.32Å; R551-N555 PolarHBondContact O-N 2.65Å; R551-N555 PolarHBondContact O-OD1 3.3Å; R553-N555 VanDerWaalsContact C-N 3.29Å; R553-N555 PolarHBondContact O-N 3.11Å; N555-I557 PolarHBondContact O-N 2.86Å; N555-L559 VanDerWaalsContact O-CB 3.28Å; N555-L559 WeakPolarHBondContact O-CB 3.46Å; N555-L559 WeakPolarHBondContact O-CD1 3.25Å; N555-L559 VanDerWaalsContact O-CG 3.25Å; N555-L559 WeakPolarHBondContact O-CG 3.26Å; N555-L559 PolarHBondContact O-N 2.85Å; N555-F582 HydrophobicContact CB-CZ 4.22Å; N555-F582 WeakPolarHBondContact OD1-CE2 3.49Å; N555-F582 WeakPolarHBondContact OD1-CZ 3.41Å; N555-L586 WeakPolarHBondContact ND2-CD2 3.32Å; N555-E594 PolarHBondContact ND2-OE2 3.4Å
556R86.1Confident86Confident140 Ų14051.5 Ų51.553%0.52825%0.25SC..Hα-helixtrans-60.7-40.3172.4175.8164.6-170.9161.83.3113.3S552 R553 V554 L560 F1499S552-R556 WeakPolarHBondContact O-CB 3.35Å; S552-R556 PolarHBondContact O-N 2.76Å; S552-R556 VanDerWaalsContact O-N 3.11Å; R553-R556 PolarHBondContact O-N 2.95Å; V554-R556 PolarHBondContact O-N 3.33Å; R556-L560 WeakPolarHBondContact O-CB 3.47Å; R556-L560 PolarHBondContact O-N 3.23Å; R556-F1499 HydrophobicContact CB-CZ 3.89Å; R556-F1499 HydrophobicContact CG-CE1 4.06Å; R556-F1499 HydrophobicContact CG-CE2 3.95Å; R556-F1499 HydrophobicContact CG-CZ 3.42Å; R556-F1499 VanDerWaalsContact CG-CZ 3.42Å
557I90.1Very high85.8Confident6 Ų646 Ų463%0.03123%0.225CC..Hα-helixtrans-69.2-44.4-179.1-68.8161.7000110.8L507 L523 L540 R553 V554 N555 L560 W561L507-I557 HydrophobicContact CB-CD1 4.32Å; L507-I557 WeakPolarHBondContact O-CD1 3.23Å; L523-I557 HydrophobicContact CD1-CG2 4.29Å; L540-I557 HydrophobicContact CD1-CG2 4.15Å; L540-I557 HydrophobicContact CD2-CG2 4.3Å; R553-I557 HydrophobicContact CG-CD1 3.68Å; R553-I557 HydrophobicContact CG-CG1 4.41Å; R553-I557 WeakPolarHBondContact O-CD1 3.45Å; R553-I557 VanDerWaalsContact O-CG1 3.27Å; R553-I557 WeakPolarHBondContact O-CG1 3.14Å; R553-I557 PolarHBondContact O-N 3.42Å; V554-I557 PolarHBondContact O-N 2.99Å; V554-I557 VanDerWaalsContact O-N 3.14Å; N555-I557 PolarHBondContact O-N 2.86Å; I557-L560 PolarHBondContact O-N 3.25Å; I557-W561 PolarHBondContact O-N 3Å
558I90.1Very high85.8Confident7 Ų742.4 Ų42.44%0.03621%0.206CC..Hα-helixtrans-67.9-39.2177.8-64.5172.3000110.9L540 V554 L560 W561 V562 F582 F598L540-I558 HydrophobicContact CB-CD1 4.38Å; L540-I558 HydrophobicContact CD1-CG1 4.05Å; V554-I558 HydrophobicContact CG1-CD1 3.7Å; V554-I558 HydrophobicContact CG1-CG1 4.35Å; V554-I558 WeakPolarHBondContact O-CG1 3.4Å; V554-I558 PolarHBondContact O-N 3.47Å; I558-L560 PolarHBondContact O-N 3.49Å; I558-W561 PolarHBondContact O-N 3.18Å; I558-V562 HydrophobicContact CG2-CG2 4.46Å; I558-V562 WeakPolarHBondContact O-CB 3.5Å; I558-V562 WeakPolarHBondContact O-CG2 3.41Å; I558-V562 PolarHBondContact O-N 3.17Å; I558-F582 HydrophobicContact CB-CD1 4.44Å; I558-F582 HydrophobicContact CB-CE1 4.01Å; I558-F582 HydrophobicContact CB-CZ 4.25Å; I558-F582 HydrophobicContact CD1-CD1 4.26Å; I558-F582 HydrophobicContact CD1-CD2 3.74Å; I558-F582 HydrophobicContact CD1-CE1 4.2Å; I558-F582 HydrophobicContact CD1-CE2 3.7Å; I558-F582 HydrophobicContact CD1-CG 4.04Å; I558-F582 HydrophobicContact CD1-CZ 3.95Å; I558-F582 HydrophobicContact CG2-CD1 3.68Å; I558-F582 HydrophobicContact CG2-CE1 3.64Å; I558-F582 HydrophobicContact CG2-CG 4.38Å; I558-F582 HydrophobicContact CG2-CZ 4.34Å; I558-F598 HydrophobicContact CG2-CE2 3.83Å
559L86.8Confident86Confident23 Ų2338.2 Ų38.212%0.1218%0.178CC..Hα-helixtrans-58.3-45.2171.1-81.6164.9000112.4N555 H563 L597 F598N555-L559 VanDerWaalsContact O-CB 3.28Å; N555-L559 WeakPolarHBondContact O-CB 3.46Å; N555-L559 WeakPolarHBondContact O-CD1 3.25Å; N555-L559 VanDerWaalsContact O-CG 3.25Å; N555-L559 WeakPolarHBondContact O-CG 3.26Å; N555-L559 PolarHBondContact O-N 2.85Å; L559-H563 VanDerWaalsContact O-CB 3.3Å; L559-H563 WeakPolarHBondContact O-CB 3.42Å; L559-H563 PolarHBondContact O-N 3.19Å; L559-L597 HydrophobicContact CD2-CB 4.37Å; L559-F598 HydrophobicContact CD2-CB 3.94Å; L559-F598 HydrophobicContact CD2-CD2 4.12Å
560L86.8Confident85.4Confident49 Ų4929.6 Ų29.626%0.25714%0.141SC..Hα-helixtrans-63-45177.6-178.964.9000111.4P519 E520 L523 R556 I557 I558 H563 N564P519-L560 HydrophobicContact CB-CD2 4.38Å; E520-L560 HydrophobicContact CB-CD2 4.43Å; L523-L560 HydrophobicContact CD1-CD2 4.31Å; L523-L560 HydrophobicContact CD1-CG 4.4Å; R556-L560 WeakPolarHBondContact O-CB 3.47Å; R556-L560 PolarHBondContact O-N 3.23Å; I557-L560 PolarHBondContact O-N 3.25Å; I558-L560 PolarHBondContact O-N 3.49Å; L560-H563 PolarHBondContact O-N 3.16Å; L560-N564 WeakPolarHBondContact O-CB 3.46Å; L560-N564 PolarHBondContact O-N 3.47Å
561W90.2Very high84.5Confident2 Ų233.2 Ų33.21%0.00816%0.16CC..Hα-helixtrans-60.9-51.6179.1-166.1-0.3000111.8L523 Y526 P533 I536 V537 I557 I558 H563 N564 H565 D568 F569 M575L523-W561 HydrophobicContact CD1-CB 3.8Å; L523-W561 HydrophobicContact CD1-CG 4.25Å; L523-W561 HydrophobicContact CD2-CB 4.07Å; L523-W561 HydrophobicContact CD2-CD2 3.54Å; L523-W561 HydrophobicContact CD2-CE3 3.76Å; L523-W561 HydrophobicContact CD2-CG 3.69Å; L523-W561 HydrophobicContact CD2-CZ3 4.39Å; L523-W561 HydrophobicContact CG-CG 4.45Å; Y526-W561 AromaticContact CE1-CZ2 3.97Å; Y526-W561 HydrophobicContact CE1-CZ2 3.97Å; Y526-W561 AromaticContact CZ-CZ2 3.88Å; P533-W561 HydrophobicContact CB-CH2 3.73Å; P533-W561 HydrophobicContact CB-CZ2 3.67Å; I536-W561 HydrophobicContact CB-CH2 4.03Å; I536-W561 HydrophobicContact CB-CZ3 4.09Å; I536-W561 HydrophobicContact CD1-CH2 4.02Å; I536-W561 HydrophobicContact CG2-CH2 4.12Å; I536-W561 HydrophobicContact CG2-CZ3 3.75Å; V537-W561 HydrophobicContact CG2-CH2 3.72Å; V537-W561 HydrophobicContact CG2-CZ3 3.5Å; I557-W561 PolarHBondContact O-N 3Å; I558-W561 PolarHBondContact O-N 3.18Å; W561-H563 VanDerWaalsContact C-N 3.3Å; W561-H563 PolarHBondContact O-N 3.43Å; W561-N564 PolarHBondContact O-N 3.21Å; W561-H565 CarbonylContact O-C 3.56Å; W561-H565 PolarHBondContact O-N 2.7Å; W561-D568 PolarHBondContact NE1-OD2 2.68Å; W561-F569 HydrophobicContact CB-CE2 4.43Å; W561-F569 HydrophobicContact CB-CZ 4.36Å; W561-F569 AromaticContact CD1-CE2 3.65Å; W561-F569 AromaticContact CD2-CE2 3.92Å; W561-F569 HydrophobicContact CD2-CE2 3.92Å; W561-F569 AromaticContact CD2-CZ 3.51Å; W561-F569 HydrophobicContact CD2-CZ 3.51Å; W561-F569 AromaticContact CE2-CE2 3.93Å; W561-F569 AromaticContact CE2-CZ 3.76Å; W561-F569 AromaticContact CE3-CZ 3.9Å; W561-F569 HydrophobicContact CE3-CZ 3.9Å; W561-F569 AromaticContact CG-CE2 3.75Å; W561-F569 HydrophobicContact CG-CE2 3.75Å; W561-F569 AromaticContact CG-CZ 3.73Å; W561-F569 HydrophobicContact CG-CZ 3.73Å; W561-F569 HydrophobicContact CZ2-CZ 4.33Å; W561-F569 HydrophobicContact CZ3-CZ 4.47Å; W561-F569 AromaticContact NE1-CE2 3.74Å; W561-M575 HydrophobicContact CH2-CE 3.95Å; W561-M575 HydrophobicContact CZ2-CE 4.08Å
562V87.3Confident84Confident0 Ų032.1 Ų32.10%016%0.159CC..Hα-helixtrans-64.6-32.7180168.60000112.3I558 F566 F569 I579 F598 A601I558-V562 HydrophobicContact CG2-CG2 4.46Å; I558-V562 WeakPolarHBondContact O-CB 3.5Å; I558-V562 WeakPolarHBondContact O-CG2 3.41Å; I558-V562 PolarHBondContact O-N 3.17Å; V562-F566 HydrophobicContact CG1-CD2 4.17Å; V562-F569 HydrophobicContact CG2-CD2 4.27Å; V562-F569 HydrophobicContact CG2-CE1 4.34Å; V562-F569 HydrophobicContact CG2-CE2 3.77Å; V562-F569 HydrophobicContact CG2-CZ 3.8Å; V562-I579 HydrophobicContact CG2-CD1 3.82Å; V562-I579 HydrophobicContact CG2-CG1 4.48Å; V562-F598 HydrophobicContact CB-CE2 4.42Å; V562-F598 HydrophobicContact CG1-CE2 4.48Å; V562-F598 HydrophobicContact CG2-CE2 3.94Å; V562-A601 HydrophobicContact CG1-CB 4.43Å
563H83.4Confident83.6Confident58 Ų5832.1 Ų32.127%0.26915%0.15SC..Hα-helixtrans-74.2-40.9176.2-171.479.2000113L559 L560 W561 K605L559-H563 VanDerWaalsContact O-CB 3.3Å; L559-H563 WeakPolarHBondContact O-CB 3.42Å; L559-H563 PolarHBondContact O-N 3.19Å; L560-H563 PolarHBondContact O-N 3.16Å; W561-H563 VanDerWaalsContact C-N 3.3Å; W561-H563 PolarHBondContact O-N 3.43Å; H563-K605 WeakPolarHBondContact O-CE 3.47Å; H563-K605 PolarHBondContact O-NZ 2.94Å
564N85.2Confident83.2Confident45 Ų4534 Ų3424%0.24116%0.162CC..Hα-helixtrans-85.5-42.5-174.6-76.211.5000113.3E520 L560 W561E520-N564 PolarHBondContact OE1-ND2 3.27Å; E520-N564 VanDerWaalsContact OE1-ND2 3.11Å; L560-N564 WeakPolarHBondContact O-CB 3.46Å; L560-N564 PolarHBondContact O-N 3.47Å; W561-N564 PolarHBondContact O-N 3.21Å
565H87.5Confident83Confident4 Ų434.1 Ų34.12%0.01916%0.162CC..  trans-131.455.9-170.4-46-58.7000111.6L523 W561 N567 D568 S1257 T1258L523-H565 PolarHBondContact O-CD2 2.82Å; W561-H565 CarbonylContact O-C 3.56Å; W561-H565 PolarHBondContact O-N 2.7Å; H565-N567 PolarHBondContact O-N 3.33Å; H565-N567 VanDerWaalsContact O-N 3.12Å; H565-D568 WeakPolarHBondContact O-CB 3.49Å; H565-D568 PolarHBondContact O-N 3.25Å; H565-S1257 PolarHBondContact CE1-OG 3.38Å; H565-S1257 PolarHBondContact ND1-OG 2.98Å; H565-T1258 HydrophobicContact CB-CG2 4.07Å; H565-T1258 WeakPolarHBondContact ND1-CG2 3.49Å
566F83.6Confident82.7Confident7 Ų734.1 Ų34.13%0.03116%0.162CC..G310 helixtrans-55.6-30.9-179.4-173.9-107.8000113.4V562 D568 F569 E570 K605 P831V562-F566 HydrophobicContact CG1-CD2 4.17Å; F566-D568 PolarHBondContact O-N 3.43Å; F566-F569 WeakPolarHBondContact O-CA 3.24Å; F566-F569 WeakPolarHBondContact O-CB 3.37Å; F566-F569 PolarHBondContact O-N 2.84Å; F566-E570 HydrophobicContact CD1-CB 4.03Å; F566-E570 HydrophobicContact CE1-CB 3.79Å; F566-E570 HydrophobicContact CE1-CG 4.08Å; F566-E570 PolarHBondContact O-N 3.49Å; F566-K605 HydrophobicContact CB-CB 3.82Å; F566-K605 HydrophobicContact CB-CG 4.42Å; F566-K605 HydrophobicContact CD1-CB 4.13Å; F566-K605 WeakPolarHBondContact CD1-O 3.46Å; F566-K605 HydrophobicContact CD2-CB 4.18Å; F566-K605 HydrophobicContact CG-CB 3.75Å; F566-P831 HydrophobicContact CE2-CG 4.3Å; F566-P831 HydrophobicContact CZ-CB 4.38Å; F566-P831 HydrophobicContact CZ-CG 3.84Å
567N81Confident82.5Confident29 Ų2930.9 Ų30.916%0.15515%0.152CC..G310 helixtrans-66.5-13.4179-43.7-90.7000114.1H565 F569 R607 Q1256 T1293H565-N567 PolarHBondContact O-N 3.33Å; H565-N567 VanDerWaalsContact O-N 3.12Å; N567-F569 PolarHBondContact O-N 2.9Å; N567-R607 PolarHBondContact OD1-NH2 3.47Å; N567-Q1256 PolarHBondContact ND2-NE2 3.1Å; N567-Q1256 PolarHBondContact ND2-OE1 3.4Å; N567-Q1256 PolarHBondContact OD1-NE2 3.23Å; N567-Q1256 VanDerWaalsContact OD1-NE2 3.09Å; N567-Q1256 PolarHBondContact OD1-OE1 3.09Å; N567-T1293 HydrophobicContact CB-CG2 4.43Å
568D84.4Confident82.2Confident0 Ų031.1 Ų31.10%015%0.154CC..G310 helixtrans-68.8-21.2168.6-69.9-7.1000112Y526 R527 W561 H565 F566 Y1291Y526-D568 VanDerWaalsContact CE1-OD2 3.29Å; Y526-D568 WeakPolarHBondContact CE1-OD2 3.46Å; Y526-D568 PolarHBondContact OH-OD1 2.88Å; Y526-D568 PolarHBondContact OH-OD2 3.41Å; R527-D568 IonicContact CZ-OD1 3.77Å; R527-D568 IonicContact NE-OD1 3.21Å; R527-D568 IonicContact NH2-OD1 2.77Å; R527-D568 PolarHBondContact NH2-OD1 3.27Å; R527-D568 IonicContact NH2-OD2 2.71Å; R527-D568 PolarHBondContact NH2-OD2 2.95Å; W561-D568 PolarHBondContact NE1-OD2 2.68Å; H565-D568 WeakPolarHBondContact O-CB 3.49Å; H565-D568 PolarHBondContact O-N 3.25Å; F566-D568 PolarHBondContact O-N 3.43Å; D568-Y1291 PolarHBondContact O-OH 2.75Å
569F84.4Confident82Confident4 Ų431 Ų312%0.01815%0.153CC..THydrogen-bonded Turntrans-110.1-33.4179.6-51.6-96.7000112.5W561 V562 F566 N567 D571 N572 M575 M576 I579W561-F569 HydrophobicContact CB-CE2 4.43Å; W561-F569 HydrophobicContact CB-CZ 4.36Å; W561-F569 AromaticContact CD1-CE2 3.65Å; W561-F569 AromaticContact CD2-CE2 3.92Å; W561-F569 HydrophobicContact CD2-CE2 3.92Å; W561-F569 AromaticContact CD2-CZ 3.51Å; W561-F569 HydrophobicContact CD2-CZ 3.51Å; W561-F569 AromaticContact CE2-CE2 3.93Å; W561-F569 AromaticContact CE2-CZ 3.76Å; W561-F569 AromaticContact CE3-CZ 3.9Å; W561-F569 HydrophobicContact CE3-CZ 3.9Å; W561-F569 AromaticContact CG-CE2 3.75Å; W561-F569 HydrophobicContact CG-CE2 3.75Å; W561-F569 AromaticContact CG-CZ 3.73Å; W561-F569 HydrophobicContact CG-CZ 3.73Å; W561-F569 HydrophobicContact CZ2-CZ 4.33Å; W561-F569 HydrophobicContact CZ3-CZ 4.47Å; W561-F569 AromaticContact NE1-CE2 3.74Å; V562-F569 HydrophobicContact CG2-CD2 4.27Å; V562-F569 HydrophobicContact CG2-CE1 4.34Å; V562-F569 HydrophobicContact CG2-CE2 3.77Å; V562-F569 HydrophobicContact CG2-CZ 3.8Å; F566-F569 WeakPolarHBondContact O-CA 3.24Å; F566-F569 WeakPolarHBondContact O-CB 3.37Å; F566-F569 PolarHBondContact O-N 2.84Å; N567-F569 PolarHBondContact O-N 2.9Å; F569-D571 PolarHBondContact O-N 2.96Å; F569-N572 PolarHBondContact O-N 3.34Å; F569-M575 HydrophobicContact CD1-CB 4.07Å; F569-M575 HydrophobicContact CD1-CE 3.61Å; F569-M575 HydrophobicContact CE1-CE 3.46Å; F569-M575 VanDerWaalsContact CE1-CE 3.46Å; F569-M575 HydrophobicContact CG-CE 4.44Å; F569-M575 HydrophobicContact CZ-CE 4.17Å; F569-M576 HydrophobicContact CB-SD 4.26Å; F569-M576 WeakPolarHBondContact O-CG 3.37Å; F569-I579 HydrophobicContact CB-CD1 3.89Å; F569-I579 HydrophobicContact CD1-CD1 3.26Å; F569-I579 HydrophobicContact CD1-CG1 3.6Å; F569-I579 HydrophobicContact CD2-CD1 4.32Å; F569-I579 HydrophobicContact CE1-CD1 3.75Å; F569-I579 HydrophobicContact CE1-CG1 3.78Å; F569-I579 HydrophobicContact CG-CD1 3.58Å; F569-I579 HydrophobicContact CG-CG1 4.42Å; F569-I579 HydrophobicContact CZ-CD1 4.46Å
570E70.6Confident81.9Confident17 Ų1732 Ų328%0.07916%0.158CC..THydrogen-bonded Turntrans-58.1136.6176.2-164.9159.9-14700110.3F566 N572 R607 R609F566-E570 HydrophobicContact CD1-CB 4.03Å; F566-E570 HydrophobicContact CE1-CB 3.79Å; F566-E570 HydrophobicContact CE1-CG 4.08Å; F566-E570 PolarHBondContact O-N 3.49Å; E570-N572 PolarHBondContact O-N 3.17Å; E570-R607 WeakPolarHBondContact OE1-CG 3.37Å; E570-R607 IonicContact OE1-NE 2.8Å; E570-R607 WeakPolarHBondContact OE2-CD 3.41Å; E570-R607 WeakPolarHBondContact OE2-CG 3.37Å; E570-R607 IonicContact OE2-CZ 3.81Å; E570-R607 IonicContact OE2-NE 3.32Å; E570-R607 PolarHBondContact OE2-NE 3.37Å; E570-R607 IonicContact OE2-NH2 2.73Å; E570-R609 IonicContact OE1-CZ 3.46Å; E570-R609 IonicContact OE1-NH2 3.44Å; E570-R609 PolarHBondContact OE1-NH2 3.04Å
571D65Low81.9Confident105 Ų10534.3 Ų34.356%0.56117%0.165SC*.THydrogen-bonded Turntrans57-7.9-176.1-54.1-32000117.3F569 H573 R609F569-D571 PolarHBondContact O-N 2.96Å; D571-H573 PolarHBondContact O-N 3.18Å; D571-R609 IonicContact OD1-CZ 2.72Å; D571-R609 IonicContact OD1-NH1 2.81Å; D571-R609 PolarHBondContact OD1-NH1 2.79Å; D571-R609 IonicContact OD1-NH2 3.89Å; D571-R609 PolarHBondContact OD1-NH2 3.02Å
572N76Confident81.7Confident36 Ų3634.3 Ų34.319%0.19317%0.165CC..  trans-8697.1167.6-173.6-28.2000111.7F569 E570 E574 M575 M576 Y1291F569-N572 PolarHBondContact O-N 3.34Å; E570-N572 PolarHBondContact O-N 3.17Å; N572-E574 VanDerWaalsContact C-N 3.33Å; N572-E574 PolarHBondContact O-N 3.22Å; N572-E574 PolarHBondContact OD1-N 2.91Å; N572-M575 HydrophobicContact CB-CB 4.05Å; N572-M575 HydrophobicContact CB-CG 4.28Å; N572-M575 PolarHBondContact O-N 2.83Å; N572-M575 VanDerWaalsContact O-N 3.16Å; N572-M575 PolarHBondContact OD1-N 3.39Å; N572-M576 PolarHBondContact O-N 3.5Å; N572-Y1291 PolarHBondContact ND2-OH 3.22Å
573H73.9Confident81.6Confident77 Ų7734.5 Ų34.536%0.35617%0.166SC..Hα-helixtrans-57.9-34.9-177-176.4-144.7000114.8D571 K577 Y835D571-H573 PolarHBondContact O-N 3.18Å; H573-K577 PolarHBondContact CE1-NZ 2.94Å; H573-K577 VanDerWaalsContact CE1-NZ 3.3Å; H573-K577 WeakPolarHBondContact NE2-CE 3.49Å; H573-K577 PolarHBondContact NE2-NZ 3.26Å; H573-K577 PolarHBondContact O-N 3.31Å; H573-Y835 AromaticContact CD2-CD1 3.87Å
574E77.6Confident81.7Confident102 Ų10235.6 Ų35.648%0.47717%0.174SC..Hα-helixtrans-71.8-40.8177-70.7-150.9122.400111.7R534 N572 M576 K577 C578R534-E574 IonicContact CZ-OE1 3.17Å; R534-E574 IonicContact CZ-OE2 3.89Å; R534-E574 IonicContact NH1-OE1 2.65Å; R534-E574 PolarHBondContact NH1-OE1 3.18Å; R534-E574 IonicContact NH1-OE2 4Å; R534-E574 PolarHBondContact NH1-OE2 3.28Å; R534-E574 IonicContact NH2-OE1 2.73Å; N572-E574 VanDerWaalsContact C-N 3.33Å; N572-E574 PolarHBondContact O-N 3.22Å; N572-E574 PolarHBondContact OD1-N 2.91Å; E574-M576 VanDerWaalsContact C-N 3.32Å; E574-M576 PolarHBondContact O-N 2.83Å; E574-K577 PolarHBondContact O-N 3.42Å; E574-C578 PolarHBondContact O-N 2.84Å; E574-C578 PolarHBondContact O-SG 2.69Å
575M83.9Confident81.7Confident2 Ų234.1 Ų34.11%0.0117%0.166CC..Hα-helixtrans-65.5-36.1176.7-74.2-65.1-68.500112.1P533 V537 W561 F569 N572 C578 I579P533-M575 HydrophobicContact CB-CE 3.58Å; P533-M575 HydrophobicContact CB-SD 3.84Å; P533-M575 HydrophobicContact CG-CE 3.72Å; P533-M575 HydrophobicContact CG-CG 3.78Å; P533-M575 HydrophobicContact CG-SD 3.59Å; P533-M575 VanDerWaalsContact CG-SD 3.59Å; V537-M575 HydrophobicContact CG2-CE 3.59Å; V537-M575 HydrophobicContact CG2-SD 3.95Å; W561-M575 HydrophobicContact CH2-CE 3.95Å; W561-M575 HydrophobicContact CZ2-CE 4.08Å; F569-M575 HydrophobicContact CD1-CB 4.07Å; F569-M575 HydrophobicContact CD1-CE 3.61Å; F569-M575 HydrophobicContact CE1-CE 3.46Å; F569-M575 VanDerWaalsContact CE1-CE 3.46Å; F569-M575 HydrophobicContact CG-CE 4.44Å; F569-M575 HydrophobicContact CZ-CE 4.17Å; N572-M575 HydrophobicContact CB-CB 4.05Å; N572-M575 HydrophobicContact CB-CG 4.28Å; N572-M575 PolarHBondContact O-N 2.83Å; N572-M575 VanDerWaalsContact O-N 3.16Å; N572-M575 PolarHBondContact OD1-N 3.39Å; M575-C578 WeakPolarHBondContact O-CB 3.28Å; M575-C578 PolarHBondContact O-N 3.24Å; M575-I579 PolarHBondContact O-N 3.12Å
576M82.5Confident81.5Confident4 Ų434 Ų342%0.0217%0.166CC..Hα-helixtrans-62.9-38.5171.1-77.6-58.2-43.700113F569 N572 E574 C578 I579 E580 P831 V832 Y835F569-M576 HydrophobicContact CB-SD 4.26Å; F569-M576 WeakPolarHBondContact O-CG 3.37Å; N572-M576 PolarHBondContact O-N 3.5Å; E574-M576 VanDerWaalsContact C-N 3.32Å; E574-M576 PolarHBondContact O-N 2.83Å; M576-C578 VanDerWaalsContact C-N 3.33Å; M576-I579 HydrophobicContact CE-CG2 4.08Å; M576-I579 WeakPolarHBondContact O-CB 3.32Å; M576-I579 PolarHBondContact O-N 3.37Å; M576-I579 HydrophobicContact SD-CD1 4.39Å; M576-E580 PolarHBondContact O-N 2.87Å; M576-P831 HydrophobicContact CE-CB 3.76Å; M576-P831 HydrophobicContact CE-CG 4.17Å; M576-P831 HydrophobicContact SD-CB 4.32Å; M576-V832 HydrophobicContact CE-CG2 4.15Å; M576-Y835 HydrophobicContact CB-CD2 3.95Å; M576-Y835 HydrophobicContact CB-CE2 4.2Å; M576-Y835 HydrophobicContact CE-CD2 4.19Å; M576-Y835 HydrophobicContact CG-CD2 3.9Å; M576-Y835 HydrophobicContact CG-CE2 3.7Å
577K82.4Confident81.4Confident71 Ų7135.8 Ų35.831%0.30918%0.179SC..Hα-helixtrans-69.2-29.8173.7-75.7-179170.2174.40113H573 E574 E580 K581 D839H573-K577 PolarHBondContact CE1-NZ 2.94Å; H573-K577 VanDerWaalsContact CE1-NZ 3.3Å; H573-K577 WeakPolarHBondContact NE2-CE 3.49Å; H573-K577 PolarHBondContact NE2-NZ 3.26Å; H573-K577 PolarHBondContact O-N 3.31Å; E574-K577 PolarHBondContact O-N 3.42Å; K577-E580 PolarHBondContact O-N 2.73Å; K577-K581 WeakPolarHBondContact O-CB 3.47Å; K577-K581 PolarHBondContact O-N 3.06Å; K577-D839 WeakPolarHBondContact CE-OD2 3.44Å; K577-D839 IonicContact NZ-OD1 2.72Å; K577-D839 IonicContact NZ-OD2 3.86Å; K577-D839 PolarHBondContact NZ-OD2 3.13Å
578C84.4Confident81.3Confident12 Ų1238.9 Ų38.98%0.08120%0.203CC..Hα-helixtrans-68.6-37.4169.5-68.20000112.5V537 E574 M575 M576 F582V537-C578 HydrophobicContact CB-CB 4.43Å; V537-C578 HydrophobicContact CG1-CB 3.73Å; E574-C578 PolarHBondContact O-N 2.84Å; E574-C578 PolarHBondContact O-SG 2.69Å; M575-C578 WeakPolarHBondContact O-CB 3.28Å; M575-C578 PolarHBondContact O-N 3.24Å; M576-C578 VanDerWaalsContact C-N 3.33Å; C578-F582 PolarHBondContact O-N 3.04Å; C578-F582 VanDerWaalsContact O-N 3.08Å
579I85.6Confident81.1Confident4 Ų441.4 Ų41.42%0.02122%0.216CC..Hα-helixtrans-62-44.8169.7-87.4-175.6000111.4V562 F569 M575 M576 K581 F582 D583 F598 V832V562-I579 HydrophobicContact CG2-CD1 3.82Å; V562-I579 HydrophobicContact CG2-CG1 4.48Å; F569-I579 HydrophobicContact CB-CD1 3.89Å; F569-I579 HydrophobicContact CD1-CD1 3.26Å; F569-I579 HydrophobicContact CD1-CG1 3.6Å; F569-I579 HydrophobicContact CD2-CD1 4.32Å; F569-I579 HydrophobicContact CE1-CD1 3.75Å; F569-I579 HydrophobicContact CE1-CG1 3.78Å; F569-I579 HydrophobicContact CG-CD1 3.58Å; F569-I579 HydrophobicContact CG-CG1 4.42Å; F569-I579 HydrophobicContact CZ-CD1 4.46Å; M575-I579 PolarHBondContact O-N 3.12Å; M576-I579 HydrophobicContact CE-CG2 4.08Å; M576-I579 WeakPolarHBondContact O-CB 3.32Å; M576-I579 PolarHBondContact O-N 3.37Å; M576-I579 HydrophobicContact SD-CD1 4.39Å; I579-K581 PolarHBondContact O-N 2.99Å; I579-F582 WeakPolarHBondContact O-CB 3.44Å; I579-F582 PolarHBondContact O-N 2.92Å; I579-F582 VanDerWaalsContact O-N 3.11Å; I579-D583 PolarHBondContact O-N 2.73Å; I579-F598 HydrophobicContact CB-CZ 4.45Å; I579-F598 HydrophobicContact CD1-CZ 4.5Å; I579-F598 HydrophobicContact CG1-CZ 4.15Å; I579-F598 HydrophobicContact CG2-CE1 4.14Å; I579-F598 HydrophobicContact CG2-CZ 3.93Å; I579-V832 HydrophobicContact CG2-CG2 3.44Å; I579-V832 VanDerWaalsContact CG2-CG2 3.44Å
580E84Confident80.3Confident45 Ų4544.2 Ų44.221%0.2125%0.246CC..Hα-helixtrans-60.5-46.1178.3-172-166.7161.500111.4M576 K577 F582 D583 N584 V832 Q836M576-E580 PolarHBondContact O-N 2.87Å; K577-E580 PolarHBondContact O-N 2.73Å; E580-F582 PolarHBondContact O-N 2.85Å; E580-D583 PolarHBondContact O-N 2.87Å; E580-N584 WeakPolarHBondContact O-CB 3.49Å; E580-N584 PolarHBondContact O-N 3.25Å; E580-N584 PolarHBondContact O-ND2 3.17Å; E580-V832 HydrophobicContact CB-CG1 3.82Å; E580-V832 HydrophobicContact CG-CG1 3.77Å; E580-Q836 VanDerWaalsContact CD-NE2 3.34Å; E580-Q836 HydrophobicContact CG-CG 4.41Å; E580-Q836 WeakPolarHBondContact OE1-CG 3.48Å; E580-Q836 PolarHBondContact OE1-NE2 3.38Å
581K86.6Confident80.6Confident96 Ų9645.3 Ų45.342%0.41725%0.254SS..Hα-helixtrans-58.5-36.3173.9-177176.2170.2-1680112.1L541 K577 I579 M585L541-K581 HydrophobicContact CD1-CD 3.85Å; L541-K581 HydrophobicContact CD1-CG 4.22Å; K577-K581 WeakPolarHBondContact O-CB 3.47Å; K577-K581 PolarHBondContact O-N 3.06Å; I579-K581 PolarHBondContact O-N 2.99Å; K581-M585 HydrophobicContact CG-SD 4.27Å; K581-M585 VanDerWaalsContact O-CG 3.27Å; K581-M585 WeakPolarHBondContact O-CG 3.4Å; K581-M585 PolarHBondContact O-N 2.68Å
582F87.4Confident81Confident2 Ų243.6 Ų43.61%0.00926%0.255CS..Hα-helixtrans-70.4-44.4175.8-175.9-118000113L541 H544 N555 I558 C578 I579 E580 N584 M585 L586 F598L541-F582 HydrophobicContact CD2-CB 3.96Å; L541-F582 HydrophobicContact CD2-CD2 3.81Å; L541-F582 HydrophobicContact CD2-CG 4.31Å; H544-F582 AromaticContact ND1-CE2 3.9Å; N555-F582 HydrophobicContact CB-CZ 4.22Å; N555-F582 WeakPolarHBondContact OD1-CE2 3.49Å; N555-F582 WeakPolarHBondContact OD1-CZ 3.41Å; I558-F582 HydrophobicContact CB-CD1 4.44Å; I558-F582 HydrophobicContact CB-CE1 4.01Å; I558-F582 HydrophobicContact CB-CZ 4.25Å; I558-F582 HydrophobicContact CD1-CD1 4.26Å; I558-F582 HydrophobicContact CD1-CD2 3.74Å; I558-F582 HydrophobicContact CD1-CE1 4.2Å; I558-F582 HydrophobicContact CD1-CE2 3.7Å; I558-F582 HydrophobicContact CD1-CG 4.04Å; I558-F582 HydrophobicContact CD1-CZ 3.95Å; I558-F582 HydrophobicContact CG2-CD1 3.68Å; I558-F582 HydrophobicContact CG2-CE1 3.64Å; I558-F582 HydrophobicContact CG2-CG 4.38Å; I558-F582 HydrophobicContact CG2-CZ 4.34Å; C578-F582 PolarHBondContact O-N 3.04Å; C578-F582 VanDerWaalsContact O-N 3.08Å; I579-F582 WeakPolarHBondContact O-CB 3.44Å; I579-F582 PolarHBondContact O-N 2.92Å; I579-F582 VanDerWaalsContact O-N 3.11Å; E580-F582 PolarHBondContact O-N 2.85Å; F582-N584 VanDerWaalsContact C-N 3.32Å; F582-N584 PolarHBondContact O-N 2.9Å; F582-M585 WeakPolarHBondContact O-CB 3.42Å; F582-M585 PolarHBondContact O-N 3.29Å; F582-M585 VanDerWaalsContact O-N 3.08Å; F582-L586 HydrophobicContact CD1-CD1 4.15Å; F582-L586 HydrophobicContact CD1-CG 4.49Å; F582-L586 HydrophobicContact CE1-CD1 3.6Å; F582-L586 HydrophobicContact CE1-CD2 4.42Å; F582-L586 HydrophobicContact CE1-CG 4.06Å; F582-L586 HydrophobicContact CE2-CD2 4.14Å; F582-L586 HydrophobicContact CE2-CG 4.19Å; F582-L586 HydrophobicContact CZ-CD1 3.86Å; F582-L586 HydrophobicContact CZ-CD2 3.81Å; F582-L586 HydrophobicContact CZ-CG 3.87Å; F582-L586 PolarHBondContact O-N 2.88Å; F582-F598 HydrophobicContact CD1-CD1 4.44Å; F582-F598 HydrophobicContact CD1-CD2 4.2Å; F582-F598 HydrophobicContact CD1-CE1 4.1Å; F582-F598 AromaticContact CD1-CE2 3.84Å; F582-F598 HydrophobicContact CD1-CE2 3.84Å; F582-F598 HydrophobicContact CD1-CG 4.5Å; F582-F598 AromaticContact CD1-CZ 3.78Å; F582-F598 HydrophobicContact CD1-CZ 3.78Å; F582-F598 AromaticContact CE1-CD2 4Å; F582-F598 HydrophobicContact CE1-CD2 4Å; F582-F598 HydrophobicContact CE1-CE2 4.03Å; F582-F598 HydrophobicContact CE1-CG 4.35Å; F582-F598 HydrophobicContact CE1-CZ 4.4Å
583D84.6Confident80.9Confident4 Ų444.3 Ų44.32%0.02127%0.271CS..Hα-helixtrans-62.4-39.2176-176.978.3000111.9I579 E580 M585 L586 S587 R595 F598 R599I579-D583 PolarHBondContact O-N 2.73Å; E580-D583 PolarHBondContact O-N 2.87Å; D583-M585 VanDerWaalsContact C-N 3.34Å; D583-M585 PolarHBondContact O-N 3.32Å; D583-L586 PolarHBondContact O-N 3.47Å; D583-S587 PolarHBondContact O-N 2.86Å; D583-S587 PolarHBondContact O-OG 3.39Å; D583-R595 WeakPolarHBondContact OD1-CG 3.4Å; D583-R595 IonicContact OD1-NE 2.63Å; D583-R595 IonicContact OD2-NE 3.67Å; D583-R595 IonicContact OD2-NH2 3.9Å; D583-F598 HydrophobicContact CB-CD1 4.38Å; D583-F598 HydrophobicContact CB-CE1 4.14Å; D583-R599 IonicContact OD1-CZ 3.98Å; D583-R599 IonicContact OD1-NE 2.78Å; D583-R599 PolarHBondContact OD1-NE 3.06Å; D583-R599 IonicContact OD1-NH2 3Å; D583-R599 IonicContact OD2-CZ 3.54Å; D583-R599 IonicContact OD2-NE 2.8Å; D583-R599 PolarHBondContact OD2-NE 3.12Å; D583-R599 IonicContact OD2-NH2 3.79Å; D583-R599 PolarHBondContact OD2-NH2 3.08Å
584N85.2Confident81Confident81 Ų8143.4 Ų43.443%0.43327%0.266SS..Hα-helixtrans-61.9-38.8171.2-75.8-45.1000112.3E580 F582 S587 S588E580-N584 WeakPolarHBondContact O-CB 3.49Å; E580-N584 PolarHBondContact O-N 3.25Å; E580-N584 PolarHBondContact O-ND2 3.17Å; F582-N584 VanDerWaalsContact C-N 3.32Å; F582-N584 PolarHBondContact O-N 2.9Å; N584-S587 VanDerWaalsContact O-CB 3.25Å; N584-S587 WeakPolarHBondContact O-CB 3.37Å; N584-S587 PolarHBondContact O-N 2.94Å; N584-S588 PolarHBondContact O-N 3Å
585M84.4Confident81.2Confident15 Ų1540.3 Ų40.37%0.07425%0.25CS..Hα-helixtrans-66-46.2174.8-75.7165.550.600112L541 H544 L545 K581 F582 D583 S587 S588 D589L541-M585 HydrophobicContact CB-CE 4.48Å; L541-M585 HydrophobicContact CD2-CE 3.92Å; L541-M585 HydrophobicContact CD2-SD 3.93Å; H544-M585 HydrophobicContact CB-CE 3.82Å; H544-M585 WeakPolarHBondContact CD2-CE 3.43Å; L545-M585 HydrophobicContact CD2-CE 3.86Å; L545-M585 HydrophobicContact CD2-CG 4.42Å; L545-M585 HydrophobicContact CD2-SD 4.11Å; L545-M585 HydrophobicContact CG-CE 3.74Å; L545-M585 HydrophobicContact CG-SD 4.25Å; K581-M585 HydrophobicContact CG-SD 4.27Å; K581-M585 VanDerWaalsContact O-CG 3.27Å; K581-M585 WeakPolarHBondContact O-CG 3.4Å; K581-M585 PolarHBondContact O-N 2.68Å; F582-M585 WeakPolarHBondContact O-CB 3.42Å; F582-M585 PolarHBondContact O-N 3.29Å; F582-M585 VanDerWaalsContact O-N 3.08Å; D583-M585 VanDerWaalsContact C-N 3.34Å; D583-M585 PolarHBondContact O-N 3.32Å; M585-S587 PolarHBondContact O-N 2.9Å; M585-S588 PolarHBondContact O-N 3.49Å; M585-S588 VanDerWaalsContact O-N 3.08Å; M585-S588 PolarHBondContact O-OG 2.94Å; M585-D589 PolarHBondContact O-N 3.12Å
586L84.1Confident80.7Confident2 Ų247.9 Ų47.91%0.0128%0.279CS..Hα-helixtrans-59.1-32172.6-66.1179.7000112.7N555 F582 D583 T591 R595 F598N555-L586 WeakPolarHBondContact ND2-CD2 3.32Å; F582-L586 HydrophobicContact CD1-CD1 4.15Å; F582-L586 HydrophobicContact CD1-CG 4.49Å; F582-L586 HydrophobicContact CE1-CD1 3.6Å; F582-L586 HydrophobicContact CE1-CD2 4.42Å; F582-L586 HydrophobicContact CE1-CG 4.06Å; F582-L586 HydrophobicContact CE2-CD2 4.14Å; F582-L586 HydrophobicContact CE2-CG 4.19Å; F582-L586 HydrophobicContact CZ-CD1 3.86Å; F582-L586 HydrophobicContact CZ-CD2 3.81Å; F582-L586 HydrophobicContact CZ-CG 3.87Å; F582-L586 PolarHBondContact O-N 2.88Å; D583-L586 PolarHBondContact O-N 3.47Å; L586-T591 WeakPolarHBondContact CD2-OG1 3.42Å; L586-T591 PolarHBondContact O-N 3.3Å; L586-R595 HydrophobicContact CB-CB 4.03Å; L586-R595 HydrophobicContact CB-CG 4.13Å; L586-R595 HydrophobicContact CD1-CB 4.31Å; L586-F598 HydrophobicContact CD1-CB 4.12Å; L586-F598 HydrophobicContact CD1-CD1 4.39Å; L586-F598 HydrophobicContact CD1-CG 4.28Å
587S81.2Confident80.4Confident43 Ų4351.1 Ų51.130%0.30130%0.296SS..Hα-helixtrans-63.4-49.5172.8-48.30000111D583 N584 M585 D589 G590 R595D583-S587 PolarHBondContact O-N 2.86Å; D583-S587 PolarHBondContact O-OG 3.39Å; N584-S587 VanDerWaalsContact O-CB 3.25Å; N584-S587 WeakPolarHBondContact O-CB 3.37Å; N584-S587 PolarHBondContact O-N 2.94Å; M585-S587 PolarHBondContact O-N 2.9Å; S587-D589 VanDerWaalsContact C-N 3.3Å; S587-D589 PolarHBondContact O-N 2.92Å; S587-G590 PolarHBondContact O-N 3.05Å; S587-R595 PolarHBondContact OG-NE 2.92Å; S587-R595 PolarHBondContact OG-NH2 2.91Å; S587-R595 VanDerWaalsContact OG-NH2 3.09Å
588S80.2Confident80.4Confident94 Ų9447.8 Ų47.866%0.65728%0.282SS*.Hα-helixtrans-69-25.1-178.766.40000114.4N584 M585N584-S588 PolarHBondContact O-N 3Å; M585-S588 PolarHBondContact O-N 3.49Å; M585-S588 VanDerWaalsContact O-N 3.08Å; M585-S588 PolarHBondContact O-OG 2.94Å
589D78.6Confident80.1Confident53 Ų5348.1 Ų48.128%0.28328%0.281SS..THydrogen-bonded Turntrans-84.5-8.4-179.6-107.437.1000114.1H544 R551 M585 S587 T591H544-D589 IonicContact NE2-OD2 2.78Å; R551-D589 WeakPolarHBondContact CD-OD2 3.35Å; R551-D589 IonicContact CZ-OD1 3.25Å; R551-D589 IonicContact CZ-OD2 2.73Å; R551-D589 IonicContact NE-OD2 3.06Å; R551-D589 IonicContact NH1-OD1 2.72Å; R551-D589 PolarHBondContact NH1-OD1 3.42Å; R551-D589 IonicContact NH1-OD2 3.38Å; R551-D589 PolarHBondContact NH1-OD2 3.38Å; R551-D589 IonicContact NH2-OD1 3.26Å; M585-D589 PolarHBondContact O-N 3.12Å; S587-D589 VanDerWaalsContact C-N 3.3Å; S587-D589 PolarHBondContact O-N 2.92Å; D589-T591 VanDerWaalsContact C-N 3.26Å; D589-T591 HydrophobicContact CB-CG2 4.48Å; D589-T591 PolarHBondContact O-N 3.37Å
590G68.6Low79.6Confident63 Ų6352 Ų5265%0.64930%0.301SS*.THydrogen-bonded Turntrans73.39.4-17900000114.9S587 A592S587-G590 PolarHBondContact O-N 3.05Å; G590-A592 PolarHBondContact O-N 2.83Å
591T76.7Confident79Confident40 Ų4050.3 Ų50.325%0.24530%0.295CS..  trans-81.652.6-178.555.50000112.5L586 D589 G593 E594 R595L586-T591 WeakPolarHBondContact CD2-OG1 3.42Å; L586-T591 PolarHBondContact O-N 3.3Å; D589-T591 VanDerWaalsContact C-N 3.26Å; D589-T591 HydrophobicContact CB-CG2 4.48Å; D589-T591 PolarHBondContact O-N 3.37Å; T591-G593 PolarHBondContact O-N 3.44Å; T591-E594 WeakPolarHBondContact CB-OE2 3.38Å; T591-E594 PolarHBondContact O-N 3.37Å; T591-E594 PolarHBondContact OG1-OE2 3.14Å; T591-R595 PolarHBondContact O-N 3.14Å
592A73.1Confident78.6Confident69 Ų6945.8 Ų45.857%0.5728%0.275SS*.Hα-helixtrans-51.1-34.4-173.800000114.4G590 R596G590-A592 PolarHBondContact O-N 2.83Å; A592-R596 WeakPolarHBondContact O-CB 3.2Å; A592-R596 PolarHBondContact O-N 2.9Å
593G73.3Confident77.7Confident51 Ų5146.8 Ų46.853%0.52628%0.283SS..Hα-helixtrans-67.4-41.6174.500000113.9T591 R596 L597T591-G593 PolarHBondContact O-N 3.44Å; G593-R596 PolarHBondContact O-N 3.09Å; G593-L597 WeakPolarHBondContact O-CG 3.46Å; G593-L597 PolarHBondContact O-N 2.93Å
594E77.6Confident76.9Confident58 Ų5850.2 Ų50.227%0.27130%0.304SS..Hα-helixtrans-69.8-40.3175.8-59.8-174.4142.900110.7N555 T591 R596 L597 F598N555-E594 PolarHBondContact ND2-OE2 3.4Å; T591-E594 WeakPolarHBondContact CB-OE2 3.38Å; T591-E594 PolarHBondContact O-N 3.37Å; T591-E594 PolarHBondContact OG1-OE2 3.14Å; E594-R596 VanDerWaalsContact C-N 3.33Å; E594-R596 PolarHBondContact O-N 3.02Å; E594-L597 PolarHBondContact O-N 3.36Å; E594-F598 WeakPolarHBondContact O-CB 3.31Å; E594-F598 PolarHBondContact O-N 3.48Å
595R80.9Confident76.1Confident37 Ų3750.5 Ų50.514%0.1430%0.301CS..Hα-helixtrans-59.7-40.6172.9-167176.7170.5-128.511.8112.4D583 L586 S587 T591 F598 R599 D668D583-R595 WeakPolarHBondContact OD1-CG 3.4Å; D583-R595 IonicContact OD1-NE 2.63Å; D583-R595 IonicContact OD2-NE 3.67Å; D583-R595 IonicContact OD2-NH2 3.9Å; L586-R595 HydrophobicContact CB-CB 4.03Å; L586-R595 HydrophobicContact CB-CG 4.13Å; L586-R595 HydrophobicContact CD1-CB 4.31Å; S587-R595 PolarHBondContact OG-NE 2.92Å; S587-R595 PolarHBondContact OG-NH2 2.91Å; S587-R595 VanDerWaalsContact OG-NH2 3.09Å; T591-R595 PolarHBondContact O-N 3.14Å; R595-F598 PolarHBondContact O-N 3.23Å; R595-R599 WeakPolarHBondContact O-CB 3.32Å; R595-R599 WeakPolarHBondContact O-CG 3.47Å; R595-R599 PolarHBondContact O-N 3.42Å; R595-D668 IonicContact CZ-OD1 2.82Å; R595-D668 IonicContact CZ-OD2 3.73Å; R595-D668 IonicContact NH1-OD1 2.75Å; R595-D668 PolarHBondContact NH1-OD1 3.43Å; R595-D668 IonicContact NH1-OD2 2.88Å; R595-D668 PolarHBondContact NH1-OD2 3.09Å; R595-D668 VanDerWaalsContact NH1-OD2 3.15Å; R595-D668 IonicContact NH2-OD1 3.62Å; R595-D668 IonicContact NH2-OD2 3.24Å; R595-D668 PolarHBondContact NH2-OD2 2.69Å
596R73Confident75.1Confident161 Ų16150.6 Ų50.661%0.60831%0.305SS*.Hα-helixtrans-65.9-42.6174.4-168.1177.9-173.4-1600.7112A592 G593 E594 F598 L600A592-R596 WeakPolarHBondContact O-CB 3.2Å; A592-R596 PolarHBondContact O-N 2.9Å; G593-R596 PolarHBondContact O-N 3.09Å; E594-R596 VanDerWaalsContact C-N 3.33Å; E594-R596 PolarHBondContact O-N 3.02Å; R596-F598 VanDerWaalsContact C-N 3.34Å; R596-L600 VanDerWaalsContact O-CB 3.25Å; R596-L600 WeakPolarHBondContact O-CB 3.38Å; R596-L600 PolarHBondContact O-N 3.22Å
597L77.2Confident73.9Confident73 Ų7354.8 Ų54.838%0.38232%0.32SS..Hα-helixtrans-63.5-38.7174.1-73.5169.3000112.1L559 G593 E594 L600 A601L559-L597 HydrophobicContact CD2-CB 4.37Å; G593-L597 WeakPolarHBondContact O-CG 3.46Å; G593-L597 PolarHBondContact O-N 2.93Å; E594-L597 PolarHBondContact O-N 3.36Å; L597-L600 PolarHBondContact O-N 3.19Å; L597-A601 WeakPolarHBondContact O-CB 3.49Å; L597-A601 PolarHBondContact O-N 3.47Å
598F81.8Confident72.4Confident1 Ų153.9 Ų53.90%0.00431%0.313CS..Hα-helixtrans-65.1-49.8177.9-179.2-108.3000112.3I558 L559 V562 I579 F582 D583 L586 E594 R595 R596 L600 A601 C602I558-F598 HydrophobicContact CG2-CE2 3.83Å; L559-F598 HydrophobicContact CD2-CB 3.94Å; L559-F598 HydrophobicContact CD2-CD2 4.12Å; V562-F598 HydrophobicContact CB-CE2 4.42Å; V562-F598 HydrophobicContact CG1-CE2 4.48Å; V562-F598 HydrophobicContact CG2-CE2 3.94Å; I579-F598 HydrophobicContact CB-CZ 4.45Å; I579-F598 HydrophobicContact CD1-CZ 4.5Å; I579-F598 HydrophobicContact CG1-CZ 4.15Å; I579-F598 HydrophobicContact CG2-CE1 4.14Å; I579-F598 HydrophobicContact CG2-CZ 3.93Å; F582-F598 HydrophobicContact CD1-CD1 4.44Å; F582-F598 HydrophobicContact CD1-CD2 4.2Å; F582-F598 HydrophobicContact CD1-CE1 4.1Å; F582-F598 AromaticContact CD1-CE2 3.84Å; F582-F598 HydrophobicContact CD1-CE2 3.84Å; F582-F598 HydrophobicContact CD1-CG 4.5Å; F582-F598 AromaticContact CD1-CZ 3.78Å; F582-F598 HydrophobicContact CD1-CZ 3.78Å; F582-F598 AromaticContact CE1-CD2 4Å; F582-F598 HydrophobicContact CE1-CD2 4Å; F582-F598 HydrophobicContact CE1-CE2 4.03Å; F582-F598 HydrophobicContact CE1-CG 4.35Å; F582-F598 HydrophobicContact CE1-CZ 4.4Å; D583-F598 HydrophobicContact CB-CD1 4.38Å; D583-F598 HydrophobicContact CB-CE1 4.14Å; L586-F598 HydrophobicContact CD1-CB 4.12Å; L586-F598 HydrophobicContact CD1-CD1 4.39Å; L586-F598 HydrophobicContact CD1-CG 4.28Å; E594-F598 WeakPolarHBondContact O-CB 3.31Å; E594-F598 PolarHBondContact O-N 3.48Å; R595-F598 PolarHBondContact O-N 3.23Å; R596-F598 VanDerWaalsContact C-N 3.34Å; F598-L600 VanDerWaalsContact C-N 3.32Å; F598-L600 PolarHBondContact O-N 3.44Å; F598-A601 PolarHBondContact O-N 2.98Å; F598-C602 PolarHBondContact O-N 3.01Å; F598-C602 PolarHBondContact O-SG 3.16Å
599R77.5Confident70.8Confident19 Ų1952.5 Ų52.57%0.07229%0.294CS..Hα-helixtrans-64-37.1175.6-69.9172.9167.9-141.9-4.1112.2D583 R595 C602 S603 D668 F670D583-R599 IonicContact OD1-CZ 3.98Å; D583-R599 IonicContact OD1-NE 2.78Å; D583-R599 PolarHBondContact OD1-NE 3.06Å; D583-R599 IonicContact OD1-NH2 3Å; D583-R599 IonicContact OD2-CZ 3.54Å; D583-R599 IonicContact OD2-NE 2.8Å; D583-R599 PolarHBondContact OD2-NE 3.12Å; D583-R599 IonicContact OD2-NH2 3.79Å; D583-R599 PolarHBondContact OD2-NH2 3.08Å; R595-R599 WeakPolarHBondContact O-CB 3.32Å; R595-R599 WeakPolarHBondContact O-CG 3.47Å; R595-R599 PolarHBondContact O-N 3.42Å; R599-C602 PolarHBondContact O-N 3.41Å; R599-S603 WeakPolarHBondContact O-CB 3.5Å; R599-S603 PolarHBondContact O-N 2.94Å; R599-S603 PolarHBondContact O-OG 2.78Å; R599-D668 IonicContact NH1-OD2 3.94Å; R599-D668 IonicContact NH2-OD2 2.69Å; R599-F670 HydrophobicContact CB-CD2 4.45Å; R599-F670 HydrophobicContact CB-CE2 3.86Å
600L74.7Confident69.2Low85 Ų8556.1 Ų56.145%0.44531%0.309SS..Hα-helixtrans-59.9-50171.9-17864.6000111R596 L597 F598 C602 S603 T604R596-L600 VanDerWaalsContact O-CB 3.25Å; R596-L600 WeakPolarHBondContact O-CB 3.38Å; R596-L600 PolarHBondContact O-N 3.22Å; L597-L600 PolarHBondContact O-N 3.19Å; F598-L600 VanDerWaalsContact C-N 3.32Å; F598-L600 PolarHBondContact O-N 3.44Å; L600-C602 VanDerWaalsContact C-N 3.33Å; L600-C602 PolarHBondContact O-N 3.22Å; L600-S603 WeakPolarHBondContact CA-OG 3.38Å; L600-S603 PolarHBondContact O-N 3.27Å; L600-S603 VanDerWaalsContact O-N 3.08Å; L600-S603 PolarHBondContact O-OG 3.43Å; L600-T604 HydrophobicContact CD1-CG2 4.13Å; L600-T604 HydrophobicContact CG-CG2 4.42Å; L600-T604 WeakPolarHBondContact O-CG2 3.44Å; L600-T604 PolarHBondContact O-N 3.49Å; L600-T604 PolarHBondContact O-OG1 3.3Å
601A73Confident67.9Low10 Ų1055.2 Ų55.28%0.08329%0.291CS..Hα-helixtrans-58.6-41.8177.900000112.7V562 L597 F598 T604 K605V562-A601 HydrophobicContact CG1-CB 4.43Å; L597-A601 WeakPolarHBondContact O-CB 3.49Å; L597-A601 PolarHBondContact O-N 3.47Å; F598-A601 PolarHBondContact O-N 2.98Å; A601-T604 PolarHBondContact O-OG1 3.13Å; A601-K605 PolarHBondContact O-N 2.92Å
602C77Confident66Low0 Ų057.4 Ų57.40%030%0.298CS..Hα-helixtrans-60.7-47.1172.4-61.30000111.4F598 R599 L600 T604 K605 A606 P831F598-C602 PolarHBondContact O-N 3.01Å; F598-C602 PolarHBondContact O-SG 3.16Å; R599-C602 PolarHBondContact O-N 3.41Å; L600-C602 VanDerWaalsContact C-N 3.33Å; L600-C602 PolarHBondContact O-N 3.22Å; C602-T604 PolarHBondContact O-N 3.18Å; C602-K605 PolarHBondContact O-N 2.82Å; C602-A606 WeakPolarHBondContact O-CB 3.25Å; C602-A606 PolarHBondContact O-N 3.28Å; C602-P831 HydrophobicContact CB-CG 4.33Å
603S69.1Low64.3Low23 Ų2355.9 Ų55.916%0.16128%0.281CS..Hα-helixtrans-66.7-30.9-17872.60000114R599 L600 K605R599-S603 WeakPolarHBondContact O-CB 3.5Å; R599-S603 PolarHBondContact O-N 2.94Å; R599-S603 PolarHBondContact O-OG 2.78Å; L600-S603 WeakPolarHBondContact CA-OG 3.38Å; L600-S603 PolarHBondContact O-N 3.27Å; L600-S603 VanDerWaalsContact O-N 3.08Å; L600-S603 PolarHBondContact O-OG 3.43Å; S603-K605 VanDerWaalsContact C-N 3.28Å; S603-K605 PolarHBondContact O-N 3.1Å
604T67.3Low62.7Low76 Ų7657.5 Ų57.547%0.46628%0.276SS..THydrogen-bonded Turntrans-81.1-5.7177.957.10000113.8L600 A601 C602L600-T604 HydrophobicContact CD1-CG2 4.13Å; L600-T604 HydrophobicContact CG-CG2 4.42Å; L600-T604 WeakPolarHBondContact O-CG2 3.44Å; L600-T604 PolarHBondContact O-N 3.49Å; L600-T604 PolarHBondContact O-OG1 3.3Å; A601-T604 PolarHBondContact O-OG1 3.13Å; C602-T604 PolarHBondContact O-N 3.18Å
605K69.1Low60.9Low87 Ų8756.7 Ų56.738%0.37827%0.273SS..THydrogen-bonded Turntrans-121.5-14.9-178.4-67.9-72.9176.5138.90114.4H563 F566 A601 C602 S603 R607H563-K605 WeakPolarHBondContact O-CE 3.47Å; H563-K605 PolarHBondContact O-NZ 2.94Å; F566-K605 HydrophobicContact CB-CB 3.82Å; F566-K605 HydrophobicContact CB-CG 4.42Å; F566-K605 HydrophobicContact CD1-CB 4.13Å; F566-K605 WeakPolarHBondContact CD1-O 3.46Å; F566-K605 HydrophobicContact CD2-CB 4.18Å; F566-K605 HydrophobicContact CG-CB 3.75Å; A601-K605 PolarHBondContact O-N 2.92Å; C602-K605 PolarHBondContact O-N 2.82Å; S603-K605 VanDerWaalsContact C-N 3.28Å; S603-K605 PolarHBondContact O-N 3.1Å; K605-R607 PolarHBondContact O-N 3.3Å
606A62.8Low58.7Low18 Ų1859 Ų5915%0.14929%0.293CS..SBendtrans-65.5127.2175.400000111.8C602 P831C602-A606 WeakPolarHBondContact O-CB 3.25Å; C602-A606 PolarHBondContact O-N 3.28Å; A606-P831 HydrophobicContact CB-CG 4.36Å
607R58.1Low56.8Low89 Ų8955.6 Ų55.634%0.33629%0.286SS..PPolyproline II helixtrans-64.3137.2174.3-60.7-178.6-159.1-148.43.9110.1N567 E570 K605 R609 N1107N567-R607 PolarHBondContact OD1-NH2 3.47Å; E570-R607 WeakPolarHBondContact OE1-CG 3.37Å; E570-R607 IonicContact OE1-NE 2.8Å; E570-R607 WeakPolarHBondContact OE2-CD 3.41Å; E570-R607 WeakPolarHBondContact OE2-CG 3.37Å; E570-R607 IonicContact OE2-CZ 3.81Å; E570-R607 IonicContact OE2-NE 3.32Å; E570-R607 PolarHBondContact OE2-NE 3.37Å; E570-R607 IonicContact OE2-NH2 2.73Å; K605-R607 PolarHBondContact O-N 3.3Å; R607-R609 PolarHBondContact O-N 2.79Å; R607-N1107 PolarHBondContact NH1-OD1 3.15Å
608P51.4Low54.5Low24 Ų2461 Ų6116%0.15631%0.307CS..PPolyproline II helixtrans-66.7125.4173.92.76.1000110.1L826 I828 N1110P608-L826 HydrophobicContact CB-CD1 4.12Å; P608-L826 HydrophobicContact CB-CG 4.32Å; P608-I828 HydrophobicContact CB-CG1 4.26Å; P608-N1110 HydrophobicContact CG-CB 3.75Å
609R46.7Very low51.9Low65 Ų6565.1 Ų65.125%0.24534%0.336CS..EExtended strand (participates in β ladder)trans-103.9118.4180-62.7-178.4-176.4-148.1-10109.3E570 D571 R607 V827E570-R609 IonicContact OE1-CZ 3.46Å; E570-R609 IonicContact OE1-NH2 3.44Å; E570-R609 PolarHBondContact OE1-NH2 3.04Å; D571-R609 IonicContact OD1-CZ 2.72Å; D571-R609 IonicContact OD1-NH1 2.81Å; D571-R609 PolarHBondContact OD1-NH1 2.79Å; D571-R609 IonicContact OD1-NH2 3.89Å; D571-R609 PolarHBondContact OD1-NH2 3.02Å; R607-R609 PolarHBondContact O-N 2.79Å; R609-V827 PolarHBondContact O-N 3.05Å
610Q43.8Very low49.3Very low130 Ų13069.4 Ų69.461%0.60737%0.369SS*.EExtended strand (participates in β ladder)trans-86.1117.4178.5-166.1174.475.900109.5L826Q610-L826 HydrophobicContact CB-CD1 4.2Å; Q610-L826 HydrophobicContact CG-CD1 4.47Å
611V40.8Very low47Very low44 Ų4470.9 Ų70.927%0.26739%0.385SS..EExtended strand (participates in β ladder)trans-114.2115.8-176.1-175.40000109L613 L825V611-L613 HydrophobicContact CG1-CD2 4.15Å; V611-L613 HydrophobicContact CG1-CG 4.24Å; V611-L613 PolarHBondContact O-N 2.85Å; V611-L825 PolarHBondContact N-O 3.19Å; V611-L825 PolarHBondContact O-N 3.23Å
612E38.2Very low44.7Very low86 Ų8679 Ų7940%0.40242%0.421SS..EExtended strand (participates in β ladder)trans-90.399.5176.2-177.1150-135.700110.3I614 N822 R824E612-I614 PolarHBondContact O-N 3.31Å; E612-N822 PolarHBondContact OE1-ND2 3.48Å; E612-R824 HydrophobicContact CB-CG 4.36Å; E612-R824 VanDerWaalsContact CD-NE 3.28Å; E612-R824 HydrophobicContact CG-CG 4.17Å; E612-R824 IonicContact OE1-CZ 3.7Å; E612-R824 IonicContact OE1-NE 3.87Å; E612-R824 PolarHBondContact OE1-NE 3.03Å; E612-R824 IonicContact OE1-NH2 2.77Å; E612-R824 PolarHBondContact OE1-NH2 3.06Å; E612-R824 IonicContact OE2-CZ 3.95Å; E612-R824 IonicContact OE2-NE 2.78Å; E612-R824 PolarHBondContact OE2-NE 3.49Å; E612-R824 IonicContact OE2-NH2 2.62Å; E612-R824 PolarHBondContact OE2-NH2 3.33Å
613L36.8Very low42.2Very low37 Ų3787.3 Ų87.319%0.19446%0.464CS..EExtended strand (participates in β ladder)trans-86.9103.9175-68.3178.7000110.1V611 F661 L823 L825V611-L613 HydrophobicContact CG1-CD2 4.15Å; V611-L613 HydrophobicContact CG1-CG 4.24Å; V611-L613 PolarHBondContact O-N 2.85Å; L613-F661 HydrophobicContact CD1-CD2 4.36Å; L613-F661 HydrophobicContact CD1-CE2 3.96Å; L613-F661 HydrophobicContact CD1-CZ 4.38Å; L613-F661 HydrophobicContact CD2-CE2 3.8Å; L613-F661 HydrophobicContact CD2-CZ 4.03Å; L613-L823 HydrophobicContact CB-CB 4.41Å; L613-L823 PolarHBondContact N-O 3.35Å; L613-L823 PolarHBondContact O-N 2.98Å; L613-L825 HydrophobicContact CD1-CD1 3.6Å; L613-L825 HydrophobicContact CD1-CG 4.21Å
614I39.7Very low40.3Very low85 Ų8594.1 Ų94.144%0.43649%0.493SS..EExtended strand (participates in β ladder)trans-79.5114.6165.7-54.1176000107.4E612 P616 T820E612-I614 PolarHBondContact O-N 3.31Å; I614-P616 WeakPolarHBondContact O-CD 3.26Å; I614-T820 HydrophobicContact CG2-CG2 4.43Å
615I40.2Very low38.5Very low41 Ų4194.9 Ų94.921%0.2150%0.499CS..EExtended strand (participates in β ladder)trans-102.4101.9176.9-55.3-178.3000109.1L617 L656 F821 L823I615-L617 PolarHBondContact O-N 3.18Å; I615-L656 HydrophobicContact CG2-CD2 3.87Å; I615-F821 PolarHBondContact N-O 3.45Å; I615-F821 PolarHBondContact O-N 3.24Å; I615-L823 HydrophobicContact CD1-CD1 4.13Å
616P33.8Very low36.6Very low84 Ų8497.1 Ų97.155%0.54552%0.515SS..EExtended strand (participates in β ladder)trans-80.3104.3175.731.6-33.8000110.8I614 K618I614-P616 WeakPolarHBondContact O-CD 3.26Å; P616-K618 VanDerWaalsContact C-N 3.35Å; P616-K618 PolarHBondContact O-N 3.4Å
617L32.7Very low35Very low90 Ų90102 Ų10247%0.47154%0.539SS..  trans-6891.8169.1-74.7172.6000110.3I615 S619 F821I615-L617 PolarHBondContact O-N 3.18Å; L617-S619 PolarHBondContact O-N 3.47Å; L617-F821 HydrophobicContact CD1-CD2 3.87Å; L617-F821 HydrophobicContact CD1-CE2 3.59Å
618K29.9Very low33.6Very low188 Ų188106.4 Ų106.482%0.81756%0.56SS**  trans-71.991.2-175.8-160.3178.6-172.6-177.90111.1P616 S620P616-K618 VanDerWaalsContact C-N 3.35Å; P616-K618 PolarHBondContact O-N 3.4Å; K618-S620 PolarHBondContact O-N 3.4Å
619S26.5Very low32.5Very low87 Ų87109.9 Ų109.961%0.60859%0.585SS**  trans-61.8106.8174.2-67.50000110.2L617 C621L617-S619 PolarHBondContact O-N 3.47Å; S619-C621 PolarHBondContact O-N 2.88Å
620S24.6Very low31.5Very low109 Ų109116.4 Ų116.476%0.76262%0.616SS**  trans-77.484.5-173.5-690000111.9K618K618-S620 PolarHBondContact O-N 3.4Å
621C25.1Very low30.7Very low116 Ų116113.6 Ų113.678%0.78462%0.622SS**  trans-117.676.9176.7-64.10000110.7S619 L623S619-C621 PolarHBondContact O-N 2.88Å; C621-L623 PolarHBondContact O-N 3.29Å
622H25Very low30.2Very low181 Ų181116.6 Ų116.684%0.83864%0.64SS**  trans-76.2101.9171.5-100-61.3000110.8
623L24.6Very low29.8Very low173 Ų173119.2 Ų119.291%0.90666%0.656SS**  trans-130.6115.8155.9-81.5173000108C621C621-L623 PolarHBondContact O-N 3.29Å
624H28.6Very low29.4Very low166 Ų166124.7 Ų124.777%0.76969%0.686SS**  trans-122.5113.4-173.7-161.5-44000108.6
625P30.6Very low28.8Very low93 Ų93122.8 Ų122.860%0.60469%0.687SS**  trans-74.8136.1158.632.3-30.8000107.7
626D28Very low28.2Very low133 Ų133127.3 Ų127.371%0.71172%0.717SS**  cis-160159.743.4-108.6-46.4000114.5
627N29.2Very low27.8Very low120 Ų120126.7 Ų126.764%0.64273%0.726SS**  trans55.7105.8149-68.2-56.6000122.7
628K30.1Very low27.4Very low182 Ų182131.3 Ų131.379%0.79174%0.743SS**  63.680.8124.9-65.9-177.6178.2177.90120.7
629S27.1Very low27.1Very low97 Ų97129.5 Ų129.568%0.67874%0.741SS**  63.5112.6109.464.50000122.7
630F25.9Very low27Very low203 Ų203129.9 Ų129.989%0.8974%0.744SS**  trans84.2141.5134.1-86.5-96.9000122.4V632F630-V632 HydrophobicContact CD1-CG2 3.86Å; F630-V632 HydrophobicContact CE1-CG2 4.26Å
631G27.3Very low27.1Very low71 Ų71129.3 Ų129.373%0.73274%0.74SS**  trans122.673-178.500000112.6
632V31.1Very low27Very low106 Ų106130.8 Ų130.864%0.64274%0.74SS**  cis66.5123.648.2172.30000112.9F630F630-V632 HydrophobicContact CD1-CG2 3.86Å; F630-V632 HydrophobicContact CE1-CG2 4.26Å
633D28.2Very low26.9Very low141 Ų141126 Ų12675%0.75474%0.739SS**  cis-155.7-169.7-24.8-87.3-34.3000105
634D28.7Very low26.8Very low152 Ų152126.4 Ų126.481%0.81374%0.736SS**  cis-155.9-16911.9-157.621.6000106.4
635G28.3Very low26.7Very low45 Ų45126.3 Ų126.346%0.46474%0.736SS.*  cis170.7175.14.500000116.7
636T27Very low26.3Very low137 Ų137129 Ų12984%0.8474%0.744SS**  trans67.6140.3168.874.40000117.6
637G25.4Very low26.4Very low71 Ų71129 Ų12973%0.73274%0.744SS**  cis-178.2170.5-7.600000109
638F24.3Very low26.3Very low186 Ų186130 Ų13082%0.81675%0.75SS**  cis-158.4142.322.1-115.7-102000111.6
639L24.3Very low26.2Very low151 Ų151127.5 Ų127.579%0.79175%0.745SS**  trans33.1144.4147.4-59.3-176.4000122.4
640S24.5Very low26.4Very low95 Ų95131.3 Ų131.366%0.66475%0.746SS**  cis-166.2-154.2-11.2-155.20000106.7
641S25.3Very low26.5Very low96 Ų96127.1 Ų127.167%0.67173%0.733SS**  cis-176.6159.7-2.539.30000107.5
642N23.5Very low26.7Very low148 Ų148128 Ų12879%0.79172%0.724SS**  cis-169.7119.1-18.3-90.9-20.4000110.8
643G23.6Very low26.7Very low79 Ų79126.3 Ų126.381%0.81471%0.711SS**  trans81.7158.4166.400000117.9
644Q22.8Very low26.7Very low183 Ų183123.4 Ų123.486%0.85570%0.695SS**  cis-149.8147.1-4.7-70.8-170.5-17.300112.9
645H25Very low26.7Very low163 Ų163119.5 Ų119.576%0.75568%0.68SS**  trans51.1131.6145.3-89.6-94.5000124.9
646L23.7Very low26.9Very low149 Ų149121.3 Ų121.378%0.7868%0.678SS**  trans68.3126.9152.7-55.9163.9000116.2
647N29.2Very low27.2Very low134 Ų134117.7 Ų117.772%0.71765%0.653SS**  cis-155.6123.340.3-166.427.7000112.3
648N28Very low27.4Very low141 Ų141121 Ų12175%0.75466%0.655SS**  trans-80134.6-176.8-63.3-8.2000112.1
649N28.1Very low27.6Very low129 Ų129116.4 Ų116.469%0.6964%0.638SS**SBendtrans153.7-4.9146-81.7-10.9000114.7
650Y29.3Very low27.8Very low177 Ų177110.8 Ų110.869%0.69461%0.61SS**SBendtrans-87.4-35.9-179.3-82.8-85000114.1T652 I653 N654Y650-T652 VanDerWaalsContact C-N 3.35Å; Y650-T652 PolarHBondContact O-N 3.09Å; Y650-I653 PolarHBondContact O-N 2.91Å; Y650-I653 VanDerWaalsContact O-N 3.11Å; Y650-N654 PolarHBondContact O-N 3.02Å
651D29.1Very low28.2Very low115 Ų115110.5 Ų110.562%0.61560%0.597SS**Hα-helixtrans-69.9-28.5-167.8-53.1-58.7000114.1I653 N654 S655D651-I653 VanDerWaalsContact C-N 3.26Å; D651-I653 PolarHBondContact O-N 3.08Å; D651-N654 WeakPolarHBondContact O-CB 3.45Å; D651-N654 PolarHBondContact O-N 3.41Å; D651-S655 PolarHBondContact O-N 3.21Å
652T31.2Very low28.5Very low91 Ų91110.6 Ų110.656%0.55859%0.594SS**Hα-helixtrans-66.5-29.1174.8-15.20000112.5Y650 S655Y650-T652 VanDerWaalsContact C-N 3.35Å; Y650-T652 PolarHBondContact O-N 3.09Å; T652-S655 WeakPolarHBondContact CA-OG 3.15Å; T652-S655 PolarHBondContact O-OG 3.09Å
653I30.6Very low29.1Very low69 Ų69105.8 Ų105.835%0.35457%0.567SS.*Hα-helixtrans-74.9-40.4174.1-62.8177.6000109.6Y650 D651 S655 L656 I657Y650-I653 PolarHBondContact O-N 2.91Å; Y650-I653 VanDerWaalsContact O-N 3.11Å; D651-I653 VanDerWaalsContact C-N 3.26Å; D651-I653 PolarHBondContact O-N 3.08Å; I653-S655 VanDerWaalsContact C-N 3.29Å; I653-S655 PolarHBondContact O-N 3.24Å; I653-L656 PolarHBondContact O-N 3.46Å; I653-I657 HydrophobicContact CG2-CD1 4.03Å; I653-I657 WeakPolarHBondContact O-CG1 3.15Å; I653-I657 PolarHBondContact O-N 2.95Å
654N29.2Very low29.6Very low80 Ų80105.5 Ų105.543%0.42855%0.547SS..Hα-helixtrans-57.6-41.6172.8-61.7-25.8000111.3Y650 D651 L656 I657 D658Y650-N654 PolarHBondContact O-N 3.02Å; D651-N654 WeakPolarHBondContact O-CB 3.45Å; D651-N654 PolarHBondContact O-N 3.41Å; N654-L656 PolarHBondContact O-N 2.88Å; N654-L656 VanDerWaalsContact O-N 3.17Å; N654-I657 WeakPolarHBondContact O-CA 3.34Å; N654-I657 WeakPolarHBondContact O-CB 3.49Å; N654-I657 PolarHBondContact O-N 2.73Å; N654-D658 PolarHBondContact O-N 2.94Å
655S29.6Very low30Very low71 Ų7198.3 Ų98.350%0.49752%0.522SS..Hα-helixtrans-67.7-11.7175.870.30000115.6D651 T652 I653D651-S655 PolarHBondContact O-N 3.21Å; T652-S655 WeakPolarHBondContact CA-OG 3.15Å; T652-S655 PolarHBondContact O-OG 3.09Å; I653-S655 VanDerWaalsContact C-N 3.29Å; I653-S655 PolarHBondContact O-N 3.24Å
656L31.2Very low30.2Very low82 Ų8292.3 Ų92.343%0.42950%0.504SS..Hα-helixtrans-92.1-18.1168.6-116.777.8000112.6I615 I653 N654I615-L656 HydrophobicContact CG2-CD2 3.87Å; I653-L656 PolarHBondContact O-N 3.46Å; N654-L656 PolarHBondContact O-N 2.88Å; N654-L656 VanDerWaalsContact O-N 3.17Å
657I33.9Very low30.9Very low61 Ų6193.9 Ų93.931%0.31351%0.507SS..Hα-helixtrans-81.1-22.4176.8-71.3160.8000111I653 N654 L659 I757I653-I657 HydrophobicContact CG2-CD1 4.03Å; I653-I657 WeakPolarHBondContact O-CG1 3.15Å; I653-I657 PolarHBondContact O-N 2.95Å; N654-I657 WeakPolarHBondContact O-CA 3.34Å; N654-I657 WeakPolarHBondContact O-CB 3.49Å; N654-I657 PolarHBondContact O-N 2.73Å; I657-L659 PolarHBondContact O-N 3.17Å; I657-L659 VanDerWaalsContact O-O 3.11Å; I657-I757 HydrophobicContact CD1-CG2 3.75Å; I657-I757 HydrophobicContact CG1-CG2 4.32Å; I657-I757 HydrophobicContact CG2-CD1 3.7Å; I657-I757 HydrophobicContact CG2-CG1 4.47Å
658D30.1Very low31.2Very low142 Ų14291.3 Ų91.376%0.75949%0.493SS*.THydrogen-bonded Turntrans-69.610.8169.7-67.9-36.6000114.2N654N654-D658 PolarHBondContact O-N 2.94Å
659L27.4Very low31.6Very low88 Ų8885 Ų8546%0.46146%0.461SS..SBendtrans-58.9146.9155.1-82.2170.2000109.1I657 F661I657-L659 PolarHBondContact O-N 3.17Å; I657-L659 VanDerWaalsContact O-O 3.11Å; L659-F661 HydrophobicContact CB-CD2 4.09Å; L659-F661 PolarHBondContact O-N 3.28Å
660P29.5Very low32Very low34 Ų3482 Ų8222%0.22144%0.443CS..SBendtrans-65.9-1.6-169.134.9-45.4000114.5T662 L841P660-T662 PolarHBondContact O-N 3.05Å; P660-L841 HydrophobicContact CB-CD1 4.36Å; P660-L841 HydrophobicContact CB-CD2 4Å; P660-L841 HydrophobicContact CB-CG 3.69Å; P660-L841 HydrophobicContact CG-CD1 3.82Å; P660-L841 HydrophobicContact CG-CD2 3.64Å; P660-L841 HydrophobicContact CG-CG 3.55Å
661F32Very low32.2Very low88 Ų8874.5 Ų74.539%0.38642%0.418SS..  trans-74.845.9172.1-49.5-67.3000111.5L613 L659 M663L613-F661 HydrophobicContact CD1-CD2 4.36Å; L613-F661 HydrophobicContact CD1-CE2 3.96Å; L613-F661 HydrophobicContact CD1-CZ 4.38Å; L613-F661 HydrophobicContact CD2-CE2 3.8Å; L613-F661 HydrophobicContact CD2-CZ 4.03Å; L659-F661 HydrophobicContact CB-CD2 4.09Å; L659-F661 PolarHBondContact O-N 3.28Å; F661-M663 VanDerWaalsContact C-N 3.31Å; F661-M663 PolarHBondContact O-N 3.45Å
662T32.5Very low32.5Very low99 Ų9970.7 Ų70.761%0.60740%0.399SS*.  trans-53.6105.3148.9-64.60000105.6P660 I664P660-T662 PolarHBondContact O-N 3.05Å; T662-I664 WeakPolarHBondContact O-CG1 3.47Å; T662-I664 PolarHBondContact O-N 3.38Å
663M34.9Very low33Very low46 Ų4669.8 Ų69.823%0.22739%0.388CS..  trans-60.8111.8175.2-83.1-168.649.300107.8F661 G665 V756 I760F661-M663 VanDerWaalsContact C-N 3.31Å; F661-M663 PolarHBondContact O-N 3.45Å; M663-G665 PolarHBondContact O-N 3.02Å; M663-V756 HydrophobicContact CE-CB 4.37Å; M663-V756 HydrophobicContact CE-CG1 3.74Å; M663-V756 HydrophobicContact CE-CG2 4.5Å; M663-V756 HydrophobicContact SD-CB 4.17Å; M663-V756 HydrophobicContact SD-CG1 3.51Å; M663-V756 VanDerWaalsContact SD-CG1 3.51Å; M663-I760 HydrophobicContact SD-CD1 4.14Å
664I35.1Very low33.4Very low74 Ų7468.2 Ų68.238%0.37938%0.38SS..  trans-78.252.7-179.9-43.1-173.8000109.9T662 G666 Q833T662-I664 WeakPolarHBondContact O-CG1 3.47Å; T662-I664 PolarHBondContact O-N 3.38Å; I664-G666 PolarHBondContact O-N 2.72Å; I664-Q833 HydrophobicContact CD1-CB 4.38Å
665G31.6Very low33.7Very low32 Ų3269 Ų6933%0.3338%0.38SS..  trans-70.157.315200000109.7M663M663-G665 PolarHBondContact O-N 3.02Å
666G29.1Very low34Very low37 Ų3768.3 Ų68.338%0.38137%0.37SS..  trans-73.4169.2156.800000109.6I664 D668 G669I664-G666 PolarHBondContact O-N 2.72Å; G666-D668 PolarHBondContact O-N 3.15Å; G666-G669 PolarHBondContact O-N 2.85Å; G666-G669 VanDerWaalsContact O-N 3.11Å
667E37.6Very low34.2Very low182 Ų18266 Ų6685%0.8536%0.359SS*.THydrogen-bonded Turntrans-59.6-10.4-170.3-59.2175.8127.700114.7
668D35.7Very low34.2Very low79 Ų7966.7 Ų66.742%0.42236%0.358SS..THydrogen-bonded Turntrans-96.13.1-179.5-53.9-49.9000115.6R595 R599 G666R595-D668 IonicContact CZ-OD1 2.82Å; R595-D668 IonicContact CZ-OD2 3.73Å; R595-D668 IonicContact NH1-OD1 2.75Å; R595-D668 PolarHBondContact NH1-OD1 3.43Å; R595-D668 IonicContact NH1-OD2 2.88Å; R595-D668 PolarHBondContact NH1-OD2 3.09Å; R595-D668 VanDerWaalsContact NH1-OD2 3.15Å; R595-D668 IonicContact NH2-OD1 3.62Å; R595-D668 IonicContact NH2-OD2 3.24Å; R595-D668 PolarHBondContact NH2-OD2 2.69Å; R599-D668 IonicContact NH1-OD2 3.94Å; R599-D668 IonicContact NH2-OD2 2.69Å; G666-D668 PolarHBondContact O-N 3.15Å
669G35.8Very low34.2Very low8 Ų862.5 Ų62.58%0.08234%0.338CS..  trans54.483.3155.500000121.1G666 S747G666-G669 PolarHBondContact O-N 2.85Å; G666-G669 VanDerWaalsContact O-N 3.11Å; G669-S747 WeakPolarHBondContact CA-OG 3.47Å; G669-S747 WeakPolarHBondContact O-CB 3.4Å; G669-S747 PolarHBondContact O-OG 3.18Å
670F35.7Very low34.2Very low68 Ų6863.2 Ų63.230%0.29834%0.341SS..  trans-138.6152.4148-83-83.7000109.9R599 S747R599-F670 HydrophobicContact CB-CD2 4.45Å; R599-F670 HydrophobicContact CB-CE2 3.86Å; F670-S747 WeakPolarHBondContact CA-OG 3.48Å; F670-S747 PolarHBondContact N-OG 2.84Å
671G34.7Very low34.2Very low18 Ų1865.8 Ų65.819%0.18636%0.356CS..  trans-125.8155.1-165.800000115.7
672V36.2Very low33.8Very low35 Ų3566.2 Ų66.221%0.21237%0.37CS..  trans-78.7127.9173.2170.40000110.2I674 V827V672-I674 HydrophobicContact CG1-CG1 4.3Å; V672-V827 HydrophobicContact CB-CG1 4.34Å; V672-V827 HydrophobicContact CG1-CG1 3.96Å; V672-V827 HydrophobicContact CG1-CG2 4.16Å; V672-V827 HydrophobicContact CG2-CG1 3.88Å
673F39.6Very low33.5Very low72 Ų7267.2 Ų67.232%0.31637%0.372SS..  trans-92.8141.5172.5-66.8-88.9000111.3L741 I828F673-L741 HydrophobicContact CD1-CD1 4.27Å; F673-L741 HydrophobicContact CE1-CB 3.96Å; F673-I828 HydrophobicContact CD2-CB 4.29Å; F673-I828 HydrophobicContact CD2-CD1 4.2Å
674I39.1Very low32.9Very low36 Ų3672.3 Ų72.319%0.18540%0.4CS..  trans-124.185.7-176.7-55.2-172.2000109.1V672 Q676 V677 I760 L825V672-I674 HydrophobicContact CG1-CG1 4.3Å; I674-Q676 PolarHBondContact O-N 2.69Å; I674-V677 HydrophobicContact CG2-CG2 4.07Å; I674-I760 HydrophobicContact CD1-CD1 4.45Å; I674-I760 HydrophobicContact CD1-CG1 4.42Å; I674-L825 HydrophobicContact CB-CD2 4.32Å; I674-L825 HydrophobicContact CD1-CD2 4.24Å; I674-L825 HydrophobicContact CG1-CD2 4.02Å; I674-L825 HydrophobicContact CG2-CD2 3.72Å
675H35.4Very low32.5Very low96 Ų9676.8 Ų76.844%0.44442%0.424SS..  trans-63.6-38.9-173-170.9-88.6000113.9L826H675-L826 HydrophobicContact CB-CB 3.89Å; H675-L826 HydrophobicContact CB-CD2 4.32Å
676Q36.3Very low32Very low58 Ų5880.2 Ų80.227%0.27144%0.443SS..EExtended strand (participates in β ladder)trans-157.9144.4-178.9-102.2165.1-14.700112.2I674 Y678 D1192I674-Q676 PolarHBondContact O-N 2.69Å; Q676-Y678 HydrophobicContact CB-CD2 4.34Å; Q676-Y678 HydrophobicContact CB-CE2 3.84Å; Q676-Y678 VanDerWaalsContact CD-OH 3.29Å; Q676-Y678 HydrophobicContact CG-CE2 4.37Å; Q676-Y678 PolarHBondContact NE2-OH 3.05Å; Q676-Y678 PolarHBondContact OE1-OH 3.43Å; Q676-D1192 PolarHBondContact NE2-OD2 2.87Å
677V35.9Very low31.7Very low33 Ų3386.8 Ų86.820%0.246%0.464CS..EExtended strand (participates in β ladder)trans-114.5116.4171.61740000108.8I674 L823I674-V677 HydrophobicContact CG2-CG2 4.07Å; V677-L823 HydrophobicContact CG1-CD1 4.21Å; V677-L823 HydrophobicContact CG1-CG 4.14Å; V677-L823 HydrophobicContact CG2-CD2 4.19Å; V677-L823 HydrophobicContact CG2-CG 4.23Å
678Y33.3Very low31Very low76 Ų7684.3 Ų84.330%0.29846%0.462SS..EExtended strand (participates in β ladder)trans-100.3106.8-178.1-75.9-78.6000112Q676 L680 N822 R824Q676-Y678 HydrophobicContact CB-CD2 4.34Å; Q676-Y678 HydrophobicContact CB-CE2 3.84Å; Q676-Y678 VanDerWaalsContact CD-OH 3.29Å; Q676-Y678 HydrophobicContact CG-CE2 4.37Å; Q676-Y678 PolarHBondContact NE2-OH 3.05Å; Q676-Y678 PolarHBondContact OE1-OH 3.43Å; Y678-L680 PolarHBondContact O-N 2.98Å; Y678-N822 PolarHBondContact N-O 3.11Å; Y678-R824 HydrophobicContact CD2-CB 4.43Å
679T31.1Very low30.3Very low54 Ų5484.9 Ų84.933%0.33147%0.472SS..  trans-83.693.2172.1490000111.3V681 C767 F821T679-V681 VanDerWaalsContact C-N 3.32Å; T679-V681 PolarHBondContact O-N 2.68Å; T679-C767 HydrophobicContact CG2-CB 3.98Å; T679-F821 HydrophobicContact CG2-CD1 4.13Å; T679-F821 HydrophobicContact CG2-CE1 3.91Å
680L27.4Very low29.7Very low102 Ų10294.9 Ų94.953%0.53451%0.509SS..  trans-75.778.5172.4-82.9169.8000111.7Y678 S682 N822Y678-L680 PolarHBondContact O-N 2.98Å; L680-S682 PolarHBondContact O-N 2.82Å; L680-N822 HydrophobicContact CD1-CB 4.38Å
681V28.4Very low29.1Very low88 Ų8898.1 Ų98.153%0.53353%0.529SS..  trans-8092.2169.8-176.80000109.5T679 N683T679-V681 VanDerWaalsContact C-N 3.32Å; T679-V681 PolarHBondContact O-N 2.68Å; V681-N683 HydrophobicContact CG1-CB 4.4Å; V681-N683 PolarHBondContact O-N 3.32Å
682S24.1Very low28.4Very low98 Ų98104.1 Ų104.169%0.68555%0.553SS**  trans-77.656-179.445.80000113.5L680 N684L680-S682 PolarHBondContact O-N 2.82Å; S682-N684 PolarHBondContact O-N 3.46Å
683N26Very low27.9Very low120 Ų120109.4 Ų109.464%0.64258%0.575SS**  trans-74.389175.9-86.2-3.6000112.1V681V681-N683 HydrophobicContact CG1-CB 4.4Å; V681-N683 PolarHBondContact O-N 3.32Å
684N22.4Very low27.1Very low153 Ų153111 Ų11182%0.81859%0.591SS**  trans-95.8101.2161.7-85.4-15.6000110.4S682S682-N684 PolarHBondContact O-N 3.46Å
685N26.5Very low26.2Very low167 Ų167115.4 Ų115.489%0.89361%0.614SS**  trans-163142.5147.6-98.8-25000109.4
686S22.4Very low25.6Very low104 Ų104116.8 Ų116.873%0.72762%0.621SS**  trans-89.9138.2-173.3510000113.2
687E22.6Very low24.9Very low175 Ų175120.3 Ų120.382%0.81864%0.635SS**  trans31.3129.8141.7-55.8-179147.700120.1
688T22.5Very low24.3Very low131 Ų131127.3 Ų127.380%0.80466%0.659SS**  -171.4158.198.7200000114.4
689S20.8Very low23.7Very low91 Ų91130.3 Ų130.364%0.63668%0.68SS**  trans59.7112.6153.7600000122.2
690Y22.8Very low23.3Very low217 Ų217132.4 Ų132.485%0.85169%0.693SS**  56150.2121.3-61.4-70.6000120.4
691D22.6Very low23.1Very low136 Ų136134.3 Ų134.373%0.72770%0.704SS**  cis-148.9-174.519.7-130.4-26000115.6
692E21.7Very low23.2Very low145 Ų145135.3 Ų135.368%0.67871%0.712SS**  trans-54.1154.8-172.6-43.5-174.274.800119
693H25.2Very low23Very low146 Ų146135.3 Ų135.368%0.67671%0.712SS**  174.2124.293.1-100.1-21.2000116.1
694T22Very low22.8Very low106 Ų106132.5 Ų132.565%0.6570%0.702SS**  trans51.6126.5138.3690000123.7
695N21.8Very low22.8Very low127 Ų127129.4 Ų129.468%0.67968%0.684SS**  101.8131.6118.6-93.7-32.2000122.8
696Q22.5Very low22.6Very low125 Ų125122.3 Ų122.358%0.58465%0.648SS**  trans67.8146141.7-66.8-173.673.700119.4
697K21.7Very low22.6Very low132 Ų132124.1 Ų124.157%0.57465%0.649SS**  cis-160.1148.4-24.2-126.4172.6-171.2167.30109.6
698Y22.6Very low22.5Very low180 Ų180117.3 Ų117.371%0.70662%0.62SS**  trans57.6147.8145-73.8-38.3000123.5
699L21.4Very low22.5Very low140 Ų140115 Ų11573%0.73361%0.61SS**  trans63.7138.7140.6-89.372.1000118.9
700T22.5Very low22.8Very low98 Ų98116.6 Ų116.660%0.60162%0.618SS**  cis-169.6167.8-19.25.90000110
701N22.4Very low22.7Very low142 Ų142110.6 Ų110.676%0.75961%0.607SS**  trans74.9152.1143.2-75.8-4.4000118.9
702P30.1Very low22.6Very low108 Ų108111 Ų11170%0.70161%0.609SS**  trans-143.5-145-135.140.1-16.6000112.2
703S20.7Very low22.7Very low98 Ų98109.1 Ų109.169%0.68561%0.612SS**  trans88.3169.9146.884.80000118.7
704S21.7Very low22.5Very low62 Ų62107 Ų10743%0.43461%0.613SS.*  trans72.2126.1-176.985.20000115.9R1610S704-R1610 WeakPolarHBondContact O-CD 3.32Å; S704-R1610 PolarHBondContact O-NH1 2.92Å
705L21.8Very low22.5Very low87 Ų87112.6 Ų112.646%0.45562%0.624SS.*  trans71.2124.8133.5-60.4160.5000123R1610L705-R1610 HydrophobicContact CB-CB 3.67Å; L705-R1610 HydrophobicContact CB-CG 4.36Å; L705-R1610 WeakPolarHBondContact CD1-O 3.48Å; L705-R1610 WeakPolarHBondContact O-CD 3.28Å; L705-R1610 PolarHBondContact O-NE 2.95Å; L705-R1610 PolarHBondContact O-NH1 2.83Å
706S22.2Very low23.5Very low19 Ų19111.8 Ų111.813%0.13363%0.626CS.*  87.2127.2122.478.60000126.6R1610 S1611 L1613S706-R1610 WeakPolarHBondContact OG-CB 3.39Å; S706-S1611 VanDerWaalsContact CB-C 3.48Å; S706-S1611 WeakPolarHBondContact OG-CA 3.41Å; S706-S1611 PolarHBondContact OG-N 3.29Å; S706-L1613 VanDerWaalsContact CA-N 3.34Å
707L22.6Very low23.8Very low141 Ų141109.4 Ų109.474%0.73862%0.621SS**  trans169.889.6135.1-97164.9000113N1612 L1613L707-N1612 CarbonylContact C-O 3.49Å; L707-N1612 VanDerWaalsContact C-O 3.28Å; L707-N1612 WeakPolarHBondContact CA-O 3.29Å; L707-N1612 PolarHBondContact N-O 2.93Å; L707-L1613 VanDerWaalsContact N-CB 3.29Å
708S21.7Very low23.8Very low32 Ų32107.4 Ų107.422%0.22462%0.624CS.*  trans-101.9158.8-175.654.70000113.2N1612S708-N1612 PolarHBondContact N-O 2.89Å; S708-N1612 PolarHBondContact OG-O 3.41Å
709S22.5Very low24Very low84 Ų84104.4 Ų104.459%0.58763%0.629SS**  trans41.674.5147.363.60000115.6C711S709-C711 PolarHBondContact O-N 3.46Å
710P25.8Very low24Very low124 Ų124102 Ų10281%0.80563%0.63SS**  trans-68.5123.5166.129.9-32.5000109.9
711C20.6Very low24Very low90 Ų90103 Ų10361%0.60864%0.636SS**  trans-141.9136.7150.6-80.70000107.7S709S709-C711 PolarHBondContact O-N 3.46Å
712D21.4Very low24.1Very low145 Ų145107.3 Ų107.378%0.77564%0.642SS**  trans56.284.9155.9-56.2-14.5000120.9
713S23.3Very low23.9Very low106 Ų106107.4 Ų107.474%0.74164%0.64SS**  70.8133.9113.2770000123
714S22Very low24.3Very low100 Ų100110.3 Ų110.370%0.69965%0.647SS**  trans118136.313480.40000119.3
715Y21.6Very low24.6Very low224 Ų224112.1 Ų112.188%0.87866%0.657SS**  trans70.8140170.7-69.8-81.4000122.1
716P42.3Very low24.8Very low111 Ų111113.1 Ų113.172%0.72166%0.663SS**  trans-112.2-175.6-175.549.4-38.3000111.3
717P29.5Very low24.9Very low74 Ų74121.2 Ų121.248%0.48170%0.696SS.*  -154.5-172.260.638.9-14.4000118Q1548P717-Q1548 HydrophobicContact CG-CG 4.45Å
718S21Very low25.2Very low90 Ų90116.7 Ų116.763%0.62968%0.676SS**  trans73.9161.4157.222.30000119.9
719S26.2Very low25.5Very low117 Ų117121.2 Ų121.282%0.81869%0.692SS**  trans-133.9133.8-157.850.50000114.3
720A22.1Very low25.9Very low91 Ų91119.8 Ų119.875%0.75268%0.679SS**  trans-159.6107.9163.400000115.1
721T23Very low26.4Very low119 Ų119117.6 Ų117.673%0.7366%0.658SS**  52.998.9119.5-47.90000121.8
722R24.2Very low27.1Very low232 Ų232116.4 Ų116.488%0.87565%0.646SS**  trans71.3155136.1-64.7-177-178.9-174.40.3118.6
723V25Very low27.8Very low110 Ų110113.3 Ų113.367%0.66763%0.627SS**  cis-154.9139.50108.20000112.4
724L30Very low28.5Very low158 Ų158110.3 Ų110.383%0.82760%0.602SS**  trans55.4163.6158.7-63.4172.5000119.4
725P28.5Very low29.2Very low100 Ų100109.8 Ų109.865%0.64959%0.585SS**  cis-119.3-175.7-0.639.3-23.6000113.8
726N24.6Very low29.8Very low108 Ų108105.4 Ų105.458%0.57857%0.567SS**  trans150150.2139.6-80.1-14.3000113.6S728 F729N726-S728 VanDerWaalsContact CB-OG 3.31Å; N726-S728 WeakPolarHBondContact CB-OG 3.16Å; N726-S728 PolarHBondContact O-N 2.92Å; N726-F729 WeakPolarHBondContact O-CB 3.42Å; N726-F729 PolarHBondContact O-N 3.42Å
727F25.5Very low29.5Very low190 Ų190101.2 Ų101.283%0.83354%0.541SS*.THydrogen-bonded Turntrans-73.4-8.2163.6-108.2-91.4000113.3F729 P769F727-F729 PolarHBondContact O-N 2.98Å; F727-P769 HydrophobicContact CE1-CB 4.3Å; F727-P769 HydrophobicContact CZ-CB 4.49Å
728S28.5Very low29.8Very low45 Ų45100.6 Ų100.632%0.31553%0.534SS..THydrogen-bonded Turntrans-65.4-16.5167.673.20000112.5N726 V730 H731 D732N726-S728 VanDerWaalsContact CB-OG 3.31Å; N726-S728 WeakPolarHBondContact CB-OG 3.16Å; N726-S728 PolarHBondContact O-N 2.92Å; S728-V730 PolarHBondContact O-N 2.73Å; S728-H731 PolarHBondContact O-N 3.38Å; S728-D732 WeakPolarHBondContact CB-OD2 3.29Å; S728-D732 WeakPolarHBondContact O-CB 3.47Å; S728-D732 PolarHBondContact O-N 2.92Å; S728-D732 PolarHBondContact OG-OD2 3.39Å
729F28.4Very low30.4Very low128 Ų128101 Ų10156%0.56153%0.526SS*.Hα-helixtrans-55.6-28.1-174.4-164.5-96.1000114.1N726 F727 Q733N726-F729 WeakPolarHBondContact O-CB 3.42Å; N726-F729 PolarHBondContact O-N 3.42Å; F727-F729 PolarHBondContact O-N 2.98Å; F729-Q733 HydrophobicContact CD1-CG 3.87Å; F729-Q733 HydrophobicContact CD2-CG 4.5Å; F729-Q733 HydrophobicContact CE1-CG 3.77Å; F729-Q733 HydrophobicContact CE2-CG 4.41Å; F729-Q733 HydrophobicContact CG-CG 4.25Å; F729-Q733 HydrophobicContact CZ-CG 4.07Å; F729-Q733 WeakPolarHBondContact O-CB 3.31Å; F729-Q733 WeakPolarHBondContact O-CG 3.3Å; F729-Q733 PolarHBondContact O-N 3.28Å; F729-Q733 VanDerWaalsContact O-N 3.07Å
730V31.4Very low30.7Very low53 Ų53101.8 Ų101.832%0.32152%0.52SS..Hα-helixtrans-73.2-47.2173.5-178.20000111.1S728 Q733 I734S728-V730 PolarHBondContact O-N 2.73Å; V730-Q733 PolarHBondContact O-N 2.95Å; V730-I734 HydrophobicContact CG1-CD1 4.01Å; V730-I734 WeakPolarHBondContact O-CG1 3.34Å; V730-I734 PolarHBondContact O-N 3.08Å
731H34.5Very low31.3Very low78 Ų78100.2 Ų100.236%0.36150%0.499SS..Hα-helixtrans-72.1-33.7-178.7-140.7-51.8000112.5S728 Q733 R735S728-H731 PolarHBondContact O-N 3.38Å; H731-Q733 VanDerWaalsContact C-N 3.34Å; H731-R735 WeakPolarHBondContact O-CB 3.45Å; H731-R735 PolarHBondContact O-N 3.29Å
732D36.2Very low31.7Very low66 Ų6697.8 Ų97.835%0.35349%0.491SS..Hα-helixtrans-74.5-19.3172.4-76.1-41.6000113.1S728 R736S728-D732 WeakPolarHBondContact CB-OD2 3.29Å; S728-D732 WeakPolarHBondContact O-CB 3.47Å; S728-D732 PolarHBondContact O-N 2.92Å; S728-D732 PolarHBondContact OG-OD2 3.39Å; D732-R736 WeakPolarHBondContact O-CB 3.19Å; D732-R736 WeakPolarHBondContact O-CG 3.47Å; D732-R736 PolarHBondContact O-N 3.08Å; D732-R736 VanDerWaalsContact O-N 3.13Å; D732-R736 PolarHBondContact O-NH1 3.25Å
733Q36.1Very low31.7Very low79 Ų7991.7 Ų91.737%0.36948%0.479SS..Hα-helixtrans-90.3-33.6171.6-71.1-72.13.800112.1F729 V730 H731 R736 A737F729-Q733 HydrophobicContact CD1-CG 3.87Å; F729-Q733 HydrophobicContact CD2-CG 4.5Å; F729-Q733 HydrophobicContact CE1-CG 3.77Å; F729-Q733 HydrophobicContact CE2-CG 4.41Å; F729-Q733 HydrophobicContact CG-CG 4.25Å; F729-Q733 HydrophobicContact CZ-CG 4.07Å; F729-Q733 WeakPolarHBondContact O-CB 3.31Å; F729-Q733 WeakPolarHBondContact O-CG 3.3Å; F729-Q733 PolarHBondContact O-N 3.28Å; F729-Q733 VanDerWaalsContact O-N 3.07Å; V730-Q733 PolarHBondContact O-N 2.95Å; H731-Q733 VanDerWaalsContact C-N 3.34Å; Q733-R736 CarbonylContact O-C 3.52Å; Q733-R736 PolarHBondContact O-N 3.34Å; Q733-A737 VanDerWaalsContact O-CB 3.3Å; Q733-A737 WeakPolarHBondContact O-CB 2.84Å; Q733-A737 PolarHBondContact O-N 3.11Å
734I37.2Very low31.8Very low44 Ų4492.7 Ų92.723%0.22648%0.481CS..Hα-helixtrans-65.3-50.2168.7-67.2167.3000109.5V730 R736 A737 D738 M763V730-I734 HydrophobicContact CG1-CD1 4.01Å; V730-I734 WeakPolarHBondContact O-CG1 3.34Å; V730-I734 PolarHBondContact O-N 3.08Å; I734-R736 VanDerWaalsContact C-N 3.28Å; I734-R736 PolarHBondContact O-N 2.99Å; I734-A737 WeakPolarHBondContact O-CA 3.12Å; I734-A737 WeakPolarHBondContact O-CB 3Å; I734-A737 PolarHBondContact O-N 3Å; I734-D738 PolarHBondContact O-N 3.21Å; I734-M763 HydrophobicContact CG1-CE 4.35Å
735R37.2Very low31.9Very low89 Ų8988.2 Ų88.234%0.33647%0.473SS..Hα-helixtrans-64.6-29.6175.3-172.4175.8-105.2161.3-9.6112.5H731 Q739 D1117H731-R735 WeakPolarHBondContact O-CB 3.45Å; H731-R735 PolarHBondContact O-N 3.29Å; R735-Q739 VanDerWaalsContact O-CB 3.24Å; R735-Q739 WeakPolarHBondContact O-CB 3Å; R735-Q739 WeakPolarHBondContact O-CG 2.97Å; R735-Q739 PolarHBondContact O-N 3.48Å; R735-D1117 IonicContact CZ-OD2 2.82Å; R735-D1117 IonicContact NH2-OD2 3.24Å; R735-D1117 PolarHBondContact NH2-OD2 3.17Å
736R33.5Very low31.8Very low132 Ų13293 Ų9350%0.49848%0.478SS..Hα-helixtrans-72.7-31.5167.3-87.9-175.1-17985.2-2.3113.5D732 Q733 I734 Q739 L740D732-R736 WeakPolarHBondContact O-CB 3.19Å; D732-R736 WeakPolarHBondContact O-CG 3.47Å; D732-R736 PolarHBondContact O-N 3.08Å; D732-R736 VanDerWaalsContact O-N 3.13Å; D732-R736 PolarHBondContact O-NH1 3.25Å; Q733-R736 CarbonylContact O-C 3.52Å; Q733-R736 PolarHBondContact O-N 3.34Å; I734-R736 VanDerWaalsContact C-N 3.28Å; I734-R736 PolarHBondContact O-N 2.99Å; R736-Q739 PolarHBondContact O-N 2.91Å; R736-L740 WeakPolarHBondContact O-CB 3.43Å; R736-L740 WeakPolarHBondContact O-CD1 3.36Å; R736-L740 WeakPolarHBondContact O-CG 3.44Å; R736-L740 PolarHBondContact O-N 3.44Å
737A36.3Very low32.2Very low23 Ų2389.7 Ų89.719%0.1946%0.464CS..Hα-helixtrans-67.8-48.9175.600000109.9Q733 I734 Q739 L740 L741Q733-A737 VanDerWaalsContact O-CB 3.3Å; Q733-A737 WeakPolarHBondContact O-CB 2.84Å; Q733-A737 PolarHBondContact O-N 3.11Å; I734-A737 WeakPolarHBondContact O-CA 3.12Å; I734-A737 WeakPolarHBondContact O-CB 3Å; I734-A737 PolarHBondContact O-N 3Å; A737-Q739 VanDerWaalsContact C-N 3.3Å; A737-Q739 PolarHBondContact O-N 3.23Å; A737-L740 PolarHBondContact O-N 3.14Å; A737-L740 VanDerWaalsContact O-N 3.14Å; A737-L741 WeakPolarHBondContact O-CB 3.41Å; A737-L741 VanDerWaalsContact O-CG 3.25Å; A737-L741 WeakPolarHBondContact O-CG 3.24Å; A737-L741 PolarHBondContact O-N 2.97Å
738D35.6Very low32.8Very low60 Ų6082.1 Ų82.132%0.32143%0.433SS..Hα-helixtrans-57.5-43.1171.1-75.8-30.5000111.5I734 L741 A742I734-D738 PolarHBondContact O-N 3.21Å; D738-L741 PolarHBondContact O-N 3.23Å; D738-A742 WeakPolarHBondContact O-CB 3.48Å; D738-A742 PolarHBondContact O-N 3Å
739Q34.6Very low33.1Very low100 Ų10083.2 Ų83.247%0.46743%0.433SS..Hα-helixtrans-67.9-34.6176.1-74.8171.5-1.400113.2R735 R736 A737 L741 A742 V743R735-Q739 VanDerWaalsContact O-CB 3.24Å; R735-Q739 WeakPolarHBondContact O-CB 3Å; R735-Q739 WeakPolarHBondContact O-CG 2.97Å; R735-Q739 PolarHBondContact O-N 3.48Å; R736-Q739 PolarHBondContact O-N 2.91Å; A737-Q739 VanDerWaalsContact C-N 3.3Å; A737-Q739 PolarHBondContact O-N 3.23Å; Q739-L741 VanDerWaalsContact C-N 3.31Å; Q739-A742 PolarHBondContact O-N 2.78Å; Q739-V743 HydrophobicContact CB-CG2 3.75Å; Q739-V743 HydrophobicContact CG-CG2 3.91Å; Q739-V743 WeakPolarHBondContact O-CB 3.05Å; Q739-V743 VanDerWaalsContact O-CG2 3.22Å; Q739-V743 WeakPolarHBondContact O-CG2 3.04Å; Q739-V743 PolarHBondContact O-N 2.6Å
740L32.7Very low33.5Very low133 Ų13385.3 Ų85.370%0.69644%0.444SS*.Hα-helixtrans-70.6-28.8174-77.4164.3000112R736 A737R736-L740 WeakPolarHBondContact O-CB 3.43Å; R736-L740 WeakPolarHBondContact O-CD1 3.36Å; R736-L740 WeakPolarHBondContact O-CG 3.44Å; R736-L740 PolarHBondContact O-N 3.44Å; A737-L740 PolarHBondContact O-N 3.14Å; A737-L740 VanDerWaalsContact O-N 3.14Å
741L34.3Very low33.7Very low58 Ų5887.4 Ų87.430%0.30445%0.453SS..Hα-helixtrans-79.3-28.2173.1-68.4167.8000112.9F673 A737 D738 Q739 V748F673-L741 HydrophobicContact CD1-CD1 4.27Å; F673-L741 HydrophobicContact CE1-CB 3.96Å; A737-L741 WeakPolarHBondContact O-CB 3.41Å; A737-L741 VanDerWaalsContact O-CG 3.25Å; A737-L741 WeakPolarHBondContact O-CG 3.24Å; A737-L741 PolarHBondContact O-N 2.97Å; D738-L741 PolarHBondContact O-N 3.23Å; Q739-L741 VanDerWaalsContact C-N 3.31Å; L741-V748 HydrophobicContact CD2-CG2 3.54Å
742A30.7Very low33.9Very low68 Ų6890.3 Ų90.356%0.56247%0.465SS*.Hα-helixtrans-110.6-32.4-170.200000116.4D738 Q739 N744D738-A742 WeakPolarHBondContact O-CB 3.48Å; D738-A742 PolarHBondContact O-N 3Å; Q739-A742 PolarHBondContact O-N 2.78Å; A742-N744 PolarHBondContact O-N 2.74Å
743V25.1Very low34Very low104 Ų10490 Ų9063%0.6347%0.467SS*.THydrogen-bonded Turntrans-79.1-11.2-160.5172.70000115Q739Q739-V743 HydrophobicContact CB-CG2 3.75Å; Q739-V743 HydrophobicContact CG-CG2 3.91Å; Q739-V743 WeakPolarHBondContact O-CB 3.05Å; Q739-V743 VanDerWaalsContact O-CG2 3.22Å; Q739-V743 WeakPolarHBondContact O-CG2 3.04Å; Q739-V743 PolarHBondContact O-N 2.6Å
744N27.3Very low34.3Very low130 Ų13089 Ų8970%0.69547%0.468SS*.THydrogen-bonded Turntrans-114.6-8.9-174-86.5-35.3000116.6A742 R746A742-N744 PolarHBondContact O-N 2.74Å; N744-R746 PolarHBondContact O-N 2.7Å
745G30.9Very low34.6Very low65 Ų6589.8 Ų89.867%0.6747%0.473SS*.SBendtrans59.715.1-175.300000115.1
746R27.5Very low34.8Very low199 Ų19986.3 Ų86.375%0.75146%0.461SS*.  trans-114.4138.6170.8-64.8-171.8-179.8-152.81107.5N744N744-R746 PolarHBondContact O-N 2.7Å
747S33.3Very low35.4Very low40 Ų4083 Ų8328%0.2845%0.453SS..  trans-85.3-177.7-173.6-163.60000111.5G669 F670 E749G669-S747 WeakPolarHBondContact CA-OG 3.47Å; G669-S747 WeakPolarHBondContact O-CB 3.4Å; G669-S747 PolarHBondContact O-OG 3.18Å; F670-S747 WeakPolarHBondContact CA-OG 3.48Å; F670-S747 PolarHBondContact N-OG 2.84Å; S747-E749 WeakPolarHBondContact CA-OE1 3.36Å; S747-E749 WeakPolarHBondContact CB-OE1 3.3Å; S747-E749 PolarHBondContact N-OE1 2.97Å; S747-E749 PolarHBondContact O-N 3.15Å
748V37.4Very low35.7Very low31 Ų3188.4 Ų88.419%0.18847%0.474CS..SBendtrans-77.745.3-179.2-164.60000110.7L741 H750 L751L741-V748 HydrophobicContact CD2-CG2 3.54Å; V748-H750 PolarHBondContact O-N 3.34Å; V748-H750 VanDerWaalsContact O-N 3.17Å; V748-L751 HydrophobicContact CG1-CB 4.04Å; V748-L751 HydrophobicContact CG1-CD1 4.01Å
749E34.6Very low36.2Very low67 Ų6790.1 Ų90.131%0.31348%0.483SS..THydrogen-bonded Turntrans-70.9-10.5-165.5-73.6151-141.100114.3S747S747-E749 WeakPolarHBondContact CA-OE1 3.36Å; S747-E749 WeakPolarHBondContact CB-OE1 3.3Å; S747-E749 PolarHBondContact N-OE1 2.97Å; S747-E749 PolarHBondContact O-N 3.15Å
750H38.2Very low36.7Very low172 Ų17287.7 Ų87.780%0.79647%0.472SS*.THydrogen-bonded Turntrans-135.11.9-168-56.4-22.5000115.7V748V748-H750 PolarHBondContact O-N 3.34Å; V748-H750 VanDerWaalsContact O-N 3.17Å
751L33.8Very low37.3Very low97 Ų9785 Ų8551%0.50846%0.456SS..  trans-91128.7173.6-84.9162.5000109.5V748 D755 V756V748-L751 HydrophobicContact CG1-CB 4.04Å; V748-L751 HydrophobicContact CG1-CD1 4.01Å; L751-D755 HydrophobicContact CD2-CB 3.89Å; L751-V756 HydrophobicContact CB-CG2 3.85Å; L751-V756 HydrophobicContact CD1-CG2 4.49Å
752K39.3Very low37.9Very low139 Ų13985.8 Ų85.860%0.60447%0.466SS*.  trans-69.5153.6179.1-62.1176.6179.3177.90109.9S754 D755 V756K752-S754 WeakPolarHBondContact CB-OG 3.43Å; K752-S754 PolarHBondContact O-N 2.93Å; K752-S754 VanDerWaalsContact O-N 3.14Å; K752-D755 WeakPolarHBondContact CB-OD2 3.25Å; K752-D755 PolarHBondContact N-OD2 3.12Å; K752-D755 WeakPolarHBondContact O-CB 3.36Å; K752-D755 PolarHBondContact O-N 3.19Å; K752-V756 PolarHBondContact O-N 3.17Å
753P39.1Very low38.4Very low61 Ų6184.6 Ų84.640%0.39645%0.45SS..Hα-helixtrans-51.8-38.9174.2-2936000112.6D755 V756 I757P753-D755 PolarHBondContact O-N 3.05Å; P753-V756 PolarHBondContact O-N 3.5Å; P753-I757 HydrophobicContact CB-CD1 4.47Å; P753-I757 VanDerWaalsContact O-CB 3.26Å; P753-I757 WeakPolarHBondContact O-CB 3.25Å; P753-I757 VanDerWaalsContact O-CD1 3.31Å; P753-I757 WeakPolarHBondContact O-CD1 3.37Å; P753-I757 WeakPolarHBondContact O-CG1 3.22Å; P753-I757 PolarHBondContact O-N 2.79Å
754S41.7Very low39.3Very low56 Ų5681.7 Ų81.739%0.39243%0.43SS..Hα-helixtrans-53.2-36.2173.150.60000114.1K752 Q758K752-S754 WeakPolarHBondContact CB-OG 3.43Å; K752-S754 PolarHBondContact O-N 2.93Å; K752-S754 VanDerWaalsContact O-N 3.14Å; S754-Q758 WeakPolarHBondContact O-CB 3.2Å; S754-Q758 WeakPolarHBondContact O-CG 3.27Å; S754-Q758 PolarHBondContact O-N 3.21Å
755D42.6Very low40.1Very low62 Ų6280.4 Ų80.433%0.33242%0.424SS..Hα-helixtrans-86.1-35.3-168.3-48.5-16000109.6L751 K752 P753 Q758 L759L751-D755 HydrophobicContact CD2-CB 3.89Å; K752-D755 WeakPolarHBondContact CB-OD2 3.25Å; K752-D755 PolarHBondContact N-OD2 3.12Å; K752-D755 WeakPolarHBondContact O-CB 3.36Å; K752-D755 PolarHBondContact O-N 3.19Å; P753-D755 PolarHBondContact O-N 3.05Å; D755-Q758 PolarHBondContact O-N 3.23Å; D755-L759 PolarHBondContact O-N 3.38Å
756V42.8Very low40.6Very low16 Ų1679.9 Ų79.910%0.09741%0.413CS..Hα-helixtrans-76.9-33.7171.1-163.90000111.6M663 L751 K752 P753 Q758 L759 I760M663-V756 HydrophobicContact CE-CB 4.37Å; M663-V756 HydrophobicContact CE-CG1 3.74Å; M663-V756 HydrophobicContact CE-CG2 4.5Å; M663-V756 HydrophobicContact SD-CB 4.17Å; M663-V756 HydrophobicContact SD-CG1 3.51Å; M663-V756 VanDerWaalsContact SD-CG1 3.51Å; L751-V756 HydrophobicContact CB-CG2 3.85Å; L751-V756 HydrophobicContact CD1-CG2 4.49Å; K752-V756 PolarHBondContact O-N 3.17Å; P753-V756 PolarHBondContact O-N 3.5Å; V756-Q758 VanDerWaalsContact C-N 3.33Å; V756-L759 WeakPolarHBondContact O-CB 3.38Å; V756-L759 PolarHBondContact O-N 2.67Å; V756-L759 VanDerWaalsContact O-N 3.15Å; V756-I760 HydrophobicContact CG1-CD1 4.26Å; V756-I760 WeakPolarHBondContact O-CG1 3.45Å; V756-I760 PolarHBondContact O-N 3.23Å
757I44.7Very low40.9Very low61 Ų6171.6 Ų71.631%0.31339%0.385SS..Hα-helixtrans-60.7-43.8167.9-72162.1000109.9I657 P753 L759 I760 H761I657-I757 HydrophobicContact CD1-CG2 3.75Å; I657-I757 HydrophobicContact CG1-CG2 4.32Å; I657-I757 HydrophobicContact CG2-CD1 3.7Å; I657-I757 HydrophobicContact CG2-CG1 4.47Å; P753-I757 HydrophobicContact CB-CD1 4.47Å; P753-I757 VanDerWaalsContact O-CB 3.26Å; P753-I757 WeakPolarHBondContact O-CB 3.25Å; P753-I757 VanDerWaalsContact O-CD1 3.31Å; P753-I757 WeakPolarHBondContact O-CD1 3.37Å; P753-I757 WeakPolarHBondContact O-CG1 3.22Å; P753-I757 PolarHBondContact O-N 2.79Å; I757-L759 VanDerWaalsContact C-N 3.34Å; I757-L759 PolarHBondContact O-N 3.44Å; I757-I760 PolarHBondContact O-N 2.92Å; I757-H761 WeakPolarHBondContact O-CB 3.47Å; I757-H761 PolarHBondContact O-N 2.77Å
758Q44.6Very low40.9Very low138 Ų13872.4 Ų72.465%0.64539%0.39SS*.Hα-helixtrans-63.9-35.6171.9-80.3-175.642.800113S754 D755 V756 S762S754-Q758 WeakPolarHBondContact O-CB 3.2Å; S754-Q758 WeakPolarHBondContact O-CG 3.27Å; S754-Q758 PolarHBondContact O-N 3.21Å; D755-Q758 PolarHBondContact O-N 3.23Å; V756-Q758 VanDerWaalsContact C-N 3.33Å; Q758-S762 WeakPolarHBondContact O-CB 3.09Å; Q758-S762 PolarHBondContact O-N 3.08Å
759L45.3Very low40.5Very low95 Ų9575.4 Ų75.450%0.49741%0.41SS..Hα-helixtrans-62-50.4173.7-166.780.4000111.1D755 V756 I757 S762 M763D755-L759 PolarHBondContact O-N 3.38Å; V756-L759 WeakPolarHBondContact O-CB 3.38Å; V756-L759 PolarHBondContact O-N 2.67Å; V756-L759 VanDerWaalsContact O-N 3.15Å; I757-L759 VanDerWaalsContact C-N 3.34Å; I757-L759 PolarHBondContact O-N 3.44Å; L759-S762 CarbonylContact O-C 3.56Å; L759-S762 WeakPolarHBondContact O-CB 3.39Å; L759-S762 PolarHBondContact O-N 3.09Å; L759-M763 HydrophobicContact CG-SD 4.37Å; L759-M763 VanDerWaalsContact O-CG 3.31Å; L759-M763 WeakPolarHBondContact O-CG 3.37Å; L759-M763 PolarHBondContact O-N 2.87Å
760I45.1Very low40.1Very low49 Ų4977.8 Ų77.825%0.25142%0.423SS..Hα-helixtrans-63.3-43.9178.2-67.6165.6000110.5M663 I674 V756 I757 S762 M763 I764M663-I760 HydrophobicContact SD-CD1 4.14Å; I674-I760 HydrophobicContact CD1-CD1 4.45Å; I674-I760 HydrophobicContact CD1-CG1 4.42Å; V756-I760 HydrophobicContact CG1-CD1 4.26Å; V756-I760 WeakPolarHBondContact O-CG1 3.45Å; V756-I760 PolarHBondContact O-N 3.23Å; I757-I760 PolarHBondContact O-N 2.92Å; I760-S762 VanDerWaalsContact C-N 3.31Å; I760-S762 PolarHBondContact O-N 3.02Å; I760-M763 WeakPolarHBondContact O-CB 3.13Å; I760-M763 PolarHBondContact O-N 3.05Å; I760-M763 VanDerWaalsContact O-N 3.14Å; I760-I764 HydrophobicContact CG2-CD1 3.94Å; I760-I764 WeakPolarHBondContact O-CG1 3.4Å; I760-I764 PolarHBondContact O-N 3.12Å
761H45.1Very low39.5Very low77 Ų7776.2 Ų76.236%0.35642%0.42SS..Hα-helixtrans-65.6-35.4176.5-154.6-121.2000111.3I757 N765I757-H761 WeakPolarHBondContact O-CB 3.47Å; I757-H761 PolarHBondContact O-N 2.77Å; H761-N765 WeakPolarHBondContact O-CB 3.2Å; H761-N765 PolarHBondContact O-N 3.22Å; H761-N765 PolarHBondContact O-ND2 3.2Å
762S47.2Very low39.1Very low74 Ų7477.2 Ų77.252%0.51743%0.425SS..Hα-helixtrans-67-37.1171.2-174.40000112.1Q758 L759 I760 A766Q758-S762 WeakPolarHBondContact O-CB 3.09Å; Q758-S762 PolarHBondContact O-N 3.08Å; L759-S762 CarbonylContact O-C 3.56Å; L759-S762 WeakPolarHBondContact O-CB 3.39Å; L759-S762 PolarHBondContact O-N 3.09Å; I760-S762 VanDerWaalsContact C-N 3.31Å; I760-S762 PolarHBondContact O-N 3.02Å; S762-A766 WeakPolarHBondContact O-CB 3.27Å; S762-A766 PolarHBondContact O-N 3.04Å
763M41.1Very low38.3Very low44 Ų4478.7 Ų78.722%0.21743%0.431CS..Hα-helixtrans-67.2-44.9175.1-71.6168.369.700111.2I734 L759 I760 N765 A766 C767I734-M763 HydrophobicContact CG1-CE 4.35Å; L759-M763 HydrophobicContact CG-SD 4.37Å; L759-M763 VanDerWaalsContact O-CG 3.31Å; L759-M763 WeakPolarHBondContact O-CG 3.37Å; L759-M763 PolarHBondContact O-N 2.87Å; I760-M763 WeakPolarHBondContact O-CB 3.13Å; I760-M763 PolarHBondContact O-N 3.05Å; I760-M763 VanDerWaalsContact O-N 3.14Å; M763-N765 VanDerWaalsContact C-N 3.34Å; M763-N765 PolarHBondContact O-N 3.48Å; M763-A766 PolarHBondContact O-N 3.48Å; M763-A766 VanDerWaalsContact O-N 3.17Å; M763-C767 WeakPolarHBondContact O-CB 3.36Å; M763-C767 PolarHBondContact O-N 3.07Å; M763-C767 PolarHBondContact O-SG 3.29Å
764I43.4Very low37.7Very low43 Ų4381.8 Ų81.822%0.22145%0.449CS..Hα-helixtrans-59.5-44.5175.7-68.6165.6000110.9I760 C767 C768 F821I760-I764 HydrophobicContact CG2-CD1 3.94Å; I760-I764 WeakPolarHBondContact O-CG1 3.4Å; I760-I764 PolarHBondContact O-N 3.12Å; I764-C767 PolarHBondContact O-N 3.35Å; I764-C768 PolarHBondContact O-SG 2.91Å; I764-C768 VanDerWaalsContact O-SG 3.35Å; I764-F821 HydrophobicContact CG2-CE1 4.45Å
765N43.4Very low36.8Very low103 Ų10389.8 Ų89.855%0.55147%0.471SS*.Hα-helixtrans-67.5-36175.2-78.1-71.9000112.8H761 M763 C768H761-N765 WeakPolarHBondContact O-CB 3.2Å; H761-N765 PolarHBondContact O-N 3.22Å; H761-N765 PolarHBondContact O-ND2 3.2Å; M763-N765 VanDerWaalsContact C-N 3.34Å; M763-N765 PolarHBondContact O-N 3.48Å; N765-C768 PolarHBondContact O-N 3.1Å
766A41.7Very low35.9Very low53 Ų5391.4 Ų91.444%0.43849%0.487SS..Hα-helixtrans-71.3-29.7176.700000113.4S762 M763 C768S762-A766 WeakPolarHBondContact O-CB 3.27Å; S762-A766 PolarHBondContact O-N 3.04Å; M763-A766 PolarHBondContact O-N 3.48Å; M763-A766 VanDerWaalsContact O-N 3.17Å; A766-C768 PolarHBondContact O-N 3.39Å
767C35.1Very low35.1Very low25 Ų2597.5 Ų97.517%0.16952%0.519CS..THydrogen-bonded Turntrans-73.6-0.1174.6-71.50000114T679 M763 I764 P769T679-C767 HydrophobicContact CG2-CB 3.98Å; M763-C767 WeakPolarHBondContact O-CB 3.36Å; M763-C767 PolarHBondContact O-N 3.07Å; M763-C767 PolarHBondContact O-SG 3.29Å; I764-C767 PolarHBondContact O-N 3.35Å; C767-P769 VanDerWaalsContact C-CD 3.41Å; C767-P769 WeakPolarHBondContact O-CD 3.4Å
768C32.6Very low34.2Very low57 Ų57101 Ų10139%0.38554%0.543SS..  trans-110.276.6-179.7-66.50000112.9I764 N765 A766 M770I764-C768 PolarHBondContact O-SG 2.91Å; I764-C768 VanDerWaalsContact O-SG 3.35Å; N765-C768 PolarHBondContact O-N 3.1Å; A766-C768 PolarHBondContact O-N 3.39Å; C768-M770 PolarHBondContact O-N 3.39Å
769P28.5Very low33.3Very low94 Ų94104 Ų10461%0.6155%0.554SS**  trans-7637.1176.734.8-38000113.5F727 C767 N771F727-P769 HydrophobicContact CE1-CB 4.3Å; F727-P769 HydrophobicContact CZ-CB 4.49Å; C767-P769 VanDerWaalsContact C-CD 3.41Å; C767-P769 WeakPolarHBondContact O-CD 3.4Å; P769-N771 PolarHBondContact O-N 3.36Å
770M27.8Very low32.4Very low118 Ų118106.9 Ų106.958%0.58157%0.569SS**  trans-7774.7173.7-82-63-73.200110.8C768 I772C768-M770 PolarHBondContact O-N 3.39Å; M770-I772 HydrophobicContact CE-CD1 3.54Å; M770-I772 HydrophobicContact CE-CG1 3.97Å; M770-I772 PolarHBondContact O-N 3.23Å
771N23.7Very low31.5Very low139 Ų139111 Ų11174%0.74360%0.596SS**  trans-75.253.9176.4-164.6-4.4000112P769 K773P769-N771 PolarHBondContact O-N 3.36Å; N771-K773 PolarHBondContact O-N 3.45Å
772I26.2Very low30.5Very low118 Ų118112.5 Ų112.561%0.60562%0.616SS**  trans-77.9114.9163.6-67.4-177.4000107.4M770 T774M770-I772 HydrophobicContact CE-CD1 3.54Å; M770-I772 HydrophobicContact CE-CG1 3.97Å; M770-I772 PolarHBondContact O-N 3.23Å; I772-T774 VanDerWaalsContact C-N 3.28Å; I772-T774 HydrophobicContact CG2-CG2 4.48Å; I772-T774 PolarHBondContact O-N 3.01Å
773K23.4Very low29.6Very low170 Ų170112.7 Ų112.774%0.73963%0.629SS**  trans-75.271.4177.3-70.8175.2-179.9165.40112.4N771 R775N771-K773 PolarHBondContact O-N 3.45Å; K773-R775 HydrophobicContact CB-CB 4.37Å; K773-R775 PolarHBondContact O-N 3.47Å; K773-R775 VanDerWaalsContact O-N 3.11Å
774T24.8Very low28.9Very low125 Ų125115.2 Ų115.277%0.76766%0.657SS**  trans-79.372.9150.145.50000108.3I772 S776I772-T774 VanDerWaalsContact C-N 3.28Å; I772-T774 HydrophobicContact CG2-CG2 4.48Å; I772-T774 PolarHBondContact O-N 3.01Å; T774-S776 PolarHBondContact O-N 3.26Å; T774-S776 VanDerWaalsContact O-N 3.16Å
775R23.6Very low28Very low225 Ų225119 Ų11985%0.84969%0.687SS**  trans-88.575.6-164.5-167.2-165.7-171.1-166.53.3113.3K773K773-R775 HydrophobicContact CB-CB 4.37Å; K773-R775 PolarHBondContact O-N 3.47Å; K773-R775 VanDerWaalsContact O-N 3.11Å
776S24.4Very low27.2Very low96 Ų96117.5 Ų117.567%0.67170%0.696SS**  trans-173.8148.9163.339.40000110.5T774T774-S776 PolarHBondContact O-N 3.26Å; T774-S776 VanDerWaalsContact O-N 3.16Å
777N26.4Very low26.4Very low143 Ų143120.2 Ų120.277%0.76571%0.712SS**  cis-150.1144.2-12.3-99.5-19.3000109.4
778T25.7Very low26Very low134 Ų134126.7 Ų126.782%0.82274%0.744SS**SBendtrans-73.1128.4161.544.50000110.3
779K25.8Very low25.6Very low203 Ų203129.1 Ų129.188%0.88376%0.761SS**  trans27.2105.3161.2-65.3-173.7177.5-176.90117.7
780L25.3Very low26Very low154 Ų154130.1 Ų130.181%0.80677%0.768SS**  trans-96.1158.2136-66.8167.6000106.5
781V26.6Very low25.7Very low135 Ų135129.2 Ų129.282%0.81877%0.773SS**  cis-152.2152.445.3167.20000106.7
782S24.1Very low25.7Very low110 Ų110128.6 Ų128.677%0.76977%0.774SS**  cis-152.9151.29.434.90000112.1
783G28.5Very low25.6Very low77 Ų77126.4 Ų126.479%0.79477%0.774SS**  trans129.4135.2133.300000117
784A26.9Very low25.6Very low97 Ų97126.4 Ų126.480%0.80278%0.776SS**  cis-164.6130.3-18.200000111.1
785S24.5Very low25.6Very low124 Ų124130.2 Ų130.287%0.86778%0.778SS**  trans154.9142.7140.861.60000112.7
786G26Very low25.6Very low71 Ų71123.8 Ų123.873%0.73277%0.768SS**  trans71.790.7168.300000115.9
787S25.4Very low25.6Very low110 Ų110126.1 Ų126.177%0.76978%0.778SS**  cis72.4100.640.886.60000116.3
788L26.2Very low25.5Very low161 Ų161122.3 Ų122.384%0.84377%0.773SS**  177.4122.4114.4-97.3165.5000116.4
789S24.2Very low25.5Very low107 Ų107123.6 Ų123.675%0.74877%0.772SS**  trans63.2154.2142.354.50000124.7
790P35.9Very low25.4Very low116 Ų116120 Ų12075%0.75376%0.763SS**  trans-141.6-168.8-165.940.7-17.8000117.4
791S22.9Very low25.4Very low98 Ų98119.5 Ų119.569%0.68576%0.761SS**  trans92.3155.4138.582.90000123.1
792T23.6Very low25.2Very low126 Ų126121.5 Ų121.577%0.77376%0.762SS**  trans79150.7147.2-48.40000118.4
793A23.3Very low25.2Very low72 Ų72122.4 Ų122.460%0.59576%0.762SS**  cis-173.4-178.2-48.500000109.4
794H24.3Very low25.1Very low170 Ų170126.9 Ų126.979%0.78777%0.765SS**  trans70.7169.9163.8-61.1-74.8000119.9
795Y23.1Very low25.3Very low206 Ų206131.5 Ų131.581%0.80877%0.772SS**  -172.3121.7-62.5-130.6-99.9000110.2
796S23.9Very low25.3Very low90 Ų90128.9 Ų128.963%0.62977%0.765SS**  trans64.7155.9143.671.10000124.9
797T25.1Very low25.4Very low145 Ų145134.5 Ų134.589%0.8977%0.772SS**  trans70.8141.5163.773.80000118.8
798G24.3Very low25.3Very low63 Ų63134.3 Ų134.365%0.64977%0.77SS**  cis169.8-179.3-8.600000112.5
799I25.9Very low25.2Very low160 Ų160136 Ų13682%0.82177%0.771SS**  trans71136.1161.4-65.6167.7000116.1
800D24.1Very low25.3Very low127 Ų127135.7 Ų135.768%0.67977%0.769SS**  cis-162.8167.2-13.4-105.8-7.8000111.6
801N23.9Very low24.8Very low145 Ų145135 Ų13578%0.77577%0.767SS**  trans82.1143.7149.7-74.5-29000125.3
802E23.8Very low25.1Very low177 Ų177136.4 Ų136.483%0.82777%0.771SS**  trans82.2128.8154.2-77.2-178.3-169.500124.7
803T24.4Very low25.1Very low128 Ų128138.5 Ų138.579%0.78578%0.777SS**  trans70109.7162.327.90000122.5
804M25Very low25.1Very low172 Ų172140.3 Ų140.385%0.84779%0.785SS**SBendtrans71.3137.8147.9-60.5-96.283.500119.8
805M32.3Very low25.1Very low193 Ų193137.8 Ų137.895%0.95179%0.786SS**  trans67.2118.2175.4-53.1-156.4-66.400117.7
806G24.5Very low25.3Very low69 Ų69133.6 Ų133.671%0.71178%0.782SS**  trans156.2106.7161.900000119.9
807H27.1Very low25.4Very low190 Ų190136 Ų13688%0.8879%0.787SS**  trans65161.7133.4-66.4-71000126.5
808S23.6Very low25.6Very low105 Ų105133 Ų13373%0.73477%0.771SS**  trans88.1142.1165.687.90000116.8
809K24.5Very low26Very low196 Ų196133.1 Ų133.185%0.85276%0.76SS**  cis-138.7148.86-61.5171.2-175.8175.30109.9
810S26.2Very low26.5Very low102 Ų102128 Ų12871%0.71374%0.735SS**  179.2128.790.2177.60000108.4
811S24.8Very low27.1Very low101 Ų101123.2 Ų123.271%0.70671%0.709SS**  51.113377.349.60000115.7
812T28.7Very low27.7Very low127 Ų127117.6 Ų117.678%0.77968%0.679SS**  cis-138.7139.92.447.50000110.8
813L23.5Very low28.4Very low170 Ų170109.7 Ų109.789%0.8964%0.642SS**  62.891.274.1-111.1176.9000116.9
814S24Very low29Very low111 Ų111108.3 Ų108.378%0.77662%0.622SS**  trans174.6123.6134.6-174.80000111.4
815S25.1Very low29.5Very low116 Ų116100.9 Ų100.981%0.81159%0.586SS**  trans-158.8106.7168.856.30000111
816V26.3Very low29.8Very low119 Ų11993.1 Ų93.172%0.72155%0.548SS*.  trans-72.9137.7176.3175.90000110.1S818V816-S818 PolarHBondContact O-N 3.01Å; V816-S818 VanDerWaalsContact O-N 3.11Å
817I27.1Very low30.7Very low141 Ų14190 Ų9072%0.72352%0.516SS*.  trans-79.990.7174.2-55.4175.8000109V819I817-V819 HydrophobicContact CG2-CG2 4.25Å
818S27.8Very low31.4Very low81 Ų8182.9 Ų82.957%0.56648%0.483SS*.  trans-82111.2166.5-70.20000109.9V816 T820V816-S818 PolarHBondContact O-N 3.01Å; V816-S818 VanDerWaalsContact O-N 3.11Å; S818-T820 PolarHBondContact O-N 3.49Å
819V33.5Very low32.6Very low66 Ų6679.9 Ų79.940%0.446%0.457SS..  trans-83.698.5170.1-175.90000108.8I817 F821I817-V819 HydrophobicContact CG2-CG2 4.25Å; V819-F821 HydrophobicContact CG1-CD2 4.09Å; V819-F821 HydrophobicContact CG1-CE2 3.63Å; V819-F821 HydrophobicContact CG1-CZ 4.29Å
820T35.6Very low33.9Very low51 Ų5170.9 Ų70.931%0.31342%0.419SS..EExtended strand (participates in β ladder)trans-89123.4169.942.60000110.5I614 S818I614-T820 HydrophobicContact CG2-CG2 4.43Å; S818-T820 PolarHBondContact O-N 3.49Å
821F36.8Very low35.4Very low28 Ų2866.8 Ų66.812%0.12339%0.389CS..EExtended strand (participates in β ladder)trans-90.2127.9168.4-72.2-104.2000108.9I615 L617 T679 I764 V819 L823I615-F821 PolarHBondContact N-O 3.45Å; I615-F821 PolarHBondContact O-N 3.24Å; L617-F821 HydrophobicContact CD1-CD2 3.87Å; L617-F821 HydrophobicContact CD1-CE2 3.59Å; T679-F821 HydrophobicContact CG2-CD1 4.13Å; T679-F821 HydrophobicContact CG2-CE1 3.91Å; I764-F821 HydrophobicContact CG2-CE1 4.45Å; V819-F821 HydrophobicContact CG1-CD2 4.09Å; V819-F821 HydrophobicContact CG1-CE2 3.63Å; V819-F821 HydrophobicContact CG1-CZ 4.29Å; F821-L823 HydrophobicContact CB-CD1 4.3Å
822N37.7Very low36.7Very low26 Ų2662.2 Ų62.214%0.13936%0.357CS..EExtended strand (participates in β ladder)trans-103.6100.6170.6-79.830.2000108.7E612 Y678 L680E612-N822 PolarHBondContact OE1-ND2 3.48Å; Y678-N822 PolarHBondContact N-O 3.11Å; L680-N822 HydrophobicContact CD1-CB 4.38Å
823L38.6Very low37.9Very low12 Ų1257.2 Ų57.26%0.06333%0.325CS..EExtended strand (participates in β ladder)trans-85119.4167.5-88.479.4000108.9L613 I615 V677 F821 L825L613-L823 HydrophobicContact CB-CB 4.41Å; L613-L823 PolarHBondContact N-O 3.35Å; L613-L823 PolarHBondContact O-N 2.98Å; I615-L823 HydrophobicContact CD1-CD1 4.13Å; V677-L823 HydrophobicContact CG1-CD1 4.21Å; V677-L823 HydrophobicContact CG1-CG 4.14Å; V677-L823 HydrophobicContact CG2-CD2 4.19Å; V677-L823 HydrophobicContact CG2-CG 4.23Å; F821-L823 HydrophobicContact CB-CD1 4.3Å; L823-L825 HydrophobicContact CB-CD2 4.22Å; L823-L825 HydrophobicContact CB-CG 4.45Å; L823-L825 HydrophobicContact CD2-CD2 4.06Å
824R35.4Very low39.4Very low98 Ų9851 Ų5137%0.3729%0.29SS..EExtended strand (participates in β ladder)trans-9593.1168.8-75.5-173.9166.9-142-12.7108.7E612 Y678E612-R824 HydrophobicContact CB-CG 4.36Å; E612-R824 VanDerWaalsContact CD-NE 3.28Å; E612-R824 HydrophobicContact CG-CG 4.17Å; E612-R824 IonicContact OE1-CZ 3.7Å; E612-R824 IonicContact OE1-NE 3.87Å; E612-R824 PolarHBondContact OE1-NE 3.03Å; E612-R824 IonicContact OE1-NH2 2.77Å; E612-R824 PolarHBondContact OE1-NH2 3.06Å; E612-R824 IonicContact OE2-CZ 3.95Å; E612-R824 IonicContact OE2-NE 2.78Å; E612-R824 PolarHBondContact OE2-NE 3.49Å; E612-R824 IonicContact OE2-NH2 2.62Å; E612-R824 PolarHBondContact OE2-NH2 3.33Å; Y678-R824 HydrophobicContact CD2-CB 4.43Å
825L37.5Very low40.7Very low16 Ų1646.6 Ų46.68%0.08426%0.256CS..EExtended strand (participates in β ladder)trans-83.7129.3177.9-58.2-170.2000110V611 L613 I674 L823 V827V611-L825 PolarHBondContact N-O 3.19Å; V611-L825 PolarHBondContact O-N 3.23Å; L613-L825 HydrophobicContact CD1-CD1 3.6Å; L613-L825 HydrophobicContact CD1-CG 4.21Å; I674-L825 HydrophobicContact CB-CD2 4.32Å; I674-L825 HydrophobicContact CD1-CD2 4.24Å; I674-L825 HydrophobicContact CG1-CD2 4.02Å; I674-L825 HydrophobicContact CG2-CD2 3.72Å; L823-L825 HydrophobicContact CB-CD2 4.22Å; L823-L825 HydrophobicContact CB-CG 4.45Å; L823-L825 HydrophobicContact CD2-CD2 4.06Å; L825-V827 HydrophobicContact CB-CG2 3.53Å; L825-V827 HydrophobicContact CD1-CG2 4.26Å; L825-V827 PolarHBondContact O-N 2.99Å
826L37.3Very low41.9Very low31 Ų3144 Ų4416%0.16223%0.231CC..EExtended strand (participates in β ladder)trans-95.175.7171.3-171.976000108.3P608 Q610 H675 I828P608-L826 HydrophobicContact CB-CD1 4.12Å; P608-L826 HydrophobicContact CB-CG 4.32Å; Q610-L826 HydrophobicContact CB-CD1 4.2Å; Q610-L826 HydrophobicContact CG-CD1 4.47Å; H675-L826 HydrophobicContact CB-CB 3.89Å; H675-L826 HydrophobicContact CB-CD2 4.32Å; L826-I828 PolarHBondContact O-N 3.28Å; L826-I828 VanDerWaalsContact O-N 3.13Å
827V43.3Very low42.8Very low4 Ų439.1 Ų39.12%0.02420%0.204CC..EExtended strand (participates in β ladder)trans-83.2100.8-169.5-164.80000110.7R609 V672 L825 F829R609-V827 PolarHBondContact O-N 3.05Å; V672-V827 HydrophobicContact CB-CG1 4.34Å; V672-V827 HydrophobicContact CG1-CG1 3.96Å; V672-V827 HydrophobicContact CG1-CG2 4.16Å; V672-V827 HydrophobicContact CG2-CG1 3.88Å; L825-V827 HydrophobicContact CB-CG2 3.53Å; L825-V827 HydrophobicContact CD1-CG2 4.26Å; L825-V827 PolarHBondContact O-N 2.99Å; V827-F829 VanDerWaalsContact C-N 3.3Å; V827-F829 HydrophobicContact CB-CD2 3.85Å; V827-F829 HydrophobicContact CB-CE2 3.82Å; V827-F829 HydrophobicContact CG1-CD1 4.39Å; V827-F829 HydrophobicContact CG1-CD2 3.28Å; V827-F829 HydrophobicContact CG1-CE1 4.4Å; V827-F829 HydrophobicContact CG1-CE2 3.3Å; V827-F829 HydrophobicContact CG1-CG 3.87Å; V827-F829 HydrophobicContact CG1-CZ 3.89Å; V827-F829 HydrophobicContact CG2-CE2 4.44Å; V827-F829 PolarHBondContact O-N 3.47Å
828I42.7Very low43.8Very low39 Ų3933.8 Ų33.820%0.218%0.177CC..  trans-74.987.6161.7-51.9175.3000107.3P608 F673 L826P608-I828 HydrophobicContact CB-CG1 4.26Å; F673-I828 HydrophobicContact CD2-CB 4.29Å; F673-I828 HydrophobicContact CD2-CD1 4.2Å; L826-I828 PolarHBondContact O-N 3.28Å; L826-I828 VanDerWaalsContact O-N 3.13Å
829F48.3Very low44.6Very low42 Ų4232.8 Ų32.818%0.18417%0.165CC..  trans-73.1146.5169.7-85.9-82000110.6V827 P831 Y834V827-F829 VanDerWaalsContact C-N 3.3Å; V827-F829 HydrophobicContact CB-CD2 3.85Å; V827-F829 HydrophobicContact CB-CE2 3.82Å; V827-F829 HydrophobicContact CG1-CD1 4.39Å; V827-F829 HydrophobicContact CG1-CD2 3.28Å; V827-F829 HydrophobicContact CG1-CE1 4.4Å; V827-F829 HydrophobicContact CG1-CE2 3.3Å; V827-F829 HydrophobicContact CG1-CG 3.87Å; V827-F829 HydrophobicContact CG1-CZ 3.89Å; V827-F829 HydrophobicContact CG2-CE2 4.44Å; V827-F829 PolarHBondContact O-N 3.47Å; F829-P831 WeakPolarHBondContact O-CD 3.38Å; F829-Y834 HydrophobicContact CB-CD2 4.41Å; F829-Y834 HydrophobicContact CB-CG 4.42Å; F829-Y834 HydrophobicContact CD1-CD2 4.26Å; F829-Y834 AromaticContact CD2-CD2 3.4Å; F829-Y834 HydrophobicContact CD2-CD2 3.4Å; F829-Y834 HydrophobicContact CD2-CE2 4.04Å; F829-Y834 HydrophobicContact CD2-CG 4.22Å; F829-Y834 HydrophobicContact CE1-CD2 4.38Å; F829-Y834 AromaticContact CE2-CD2 3.55Å; F829-Y834 HydrophobicContact CE2-CD2 3.55Å; F829-Y834 AromaticContact CE2-CE2 3.99Å; F829-Y834 HydrophobicContact CE2-CE2 3.99Å; F829-Y834 AromaticContact CG-CD2 3.79Å; F829-Y834 HydrophobicContact CG-CD2 3.79Å; F829-Y834 HydrophobicContact CG-CG 4.22Å; F829-Y834 HydrophobicContact CZ-CD2 4.06Å
830N52.7Low44.9Very low8 Ų832.8 Ų32.84%0.04317%0.168CC..  trans-63.5116.8147.1175.1-2.2000106.8V832 Q833 Y834N830-V832 PolarHBondContact O-N 3.26Å; N830-V832 WeakPolarHBondContact OD1-CG2 3.24Å; N830-V832 PolarHBondContact OD1-N 2.91Å; N830-Q833 HydrophobicContact CB-CB 4.46Å; N830-Q833 HydrophobicContact CB-CG 4.44Å; N830-Q833 PolarHBondContact O-N 3.08Å; N830-Y834 PolarHBondContact O-N 3.24Å; N830-Y834 VanDerWaalsContact O-N 3.16Å
831P55.9Low44.9Very low15 Ų1533.1 Ų33.110%0.09717%0.167CC..Hα-helixtrans-61.4-24.8-169.524.1-34.9000112.7F566 M576 C602 A606 F829 Y834 Y835F566-P831 HydrophobicContact CE2-CG 4.3Å; F566-P831 HydrophobicContact CZ-CB 4.38Å; F566-P831 HydrophobicContact CZ-CG 3.84Å; M576-P831 HydrophobicContact CE-CB 3.76Å; M576-P831 HydrophobicContact CE-CG 4.17Å; M576-P831 HydrophobicContact SD-CB 4.32Å; C602-P831 HydrophobicContact CB-CG 4.33Å; A606-P831 HydrophobicContact CB-CG 4.36Å; F829-P831 WeakPolarHBondContact O-CD 3.38Å; P831-Y834 PolarHBondContact O-N 3.41Å; P831-Y835 VanDerWaalsContact O-CD2 3.3Å; P831-Y835 WeakPolarHBondContact O-CD2 3.27Å; P831-Y835 PolarHBondContact O-N 3.28Å
832V52.7Low44.8Very low5 Ų536.5 Ų36.53%0.0319%0.186CC..Hα-helixtrans-61.7-46.6173.1-169.90000111.5M576 I579 E580 N830 Q836M576-V832 HydrophobicContact CE-CG2 4.15Å; I579-V832 HydrophobicContact CG2-CG2 3.44Å; I579-V832 VanDerWaalsContact CG2-CG2 3.44Å; E580-V832 HydrophobicContact CB-CG1 3.82Å; E580-V832 HydrophobicContact CG-CG1 3.77Å; N830-V832 PolarHBondContact O-N 3.26Å; N830-V832 WeakPolarHBondContact OD1-CG2 3.24Å; N830-V832 PolarHBondContact OD1-N 2.91Å; V832-Q836 WeakPolarHBondContact O-CG 3.4Å; V832-Q836 PolarHBondContact O-N 3.38Å
833Q53.4Low44.6Very low22 Ų2239.4 Ų39.410%0.10321%0.205CC..Hα-helixtrans-74.4-26.4-179.4-68.8175.7-44.900112.3I664 N830 A837I664-Q833 HydrophobicContact CD1-CB 4.38Å; N830-Q833 HydrophobicContact CB-CB 4.46Å; N830-Q833 HydrophobicContact CB-CG 4.44Å; N830-Q833 PolarHBondContact O-N 3.08Å; Q833-A837 WeakPolarHBondContact O-CB 3.27Å; Q833-A837 PolarHBondContact O-N 3.04Å
834Y55Low44.2Very low40 Ų4043.3 Ų43.316%0.15723%0.23CC..Hα-helixtrans-62.3-51.9174.9179.4-114000112.3F829 N830 P831 A837 I838F829-Y834 HydrophobicContact CB-CD2 4.41Å; F829-Y834 HydrophobicContact CB-CG 4.42Å; F829-Y834 HydrophobicContact CD1-CD2 4.26Å; F829-Y834 AromaticContact CD2-CD2 3.4Å; F829-Y834 HydrophobicContact CD2-CD2 3.4Å; F829-Y834 HydrophobicContact CD2-CE2 4.04Å; F829-Y834 HydrophobicContact CD2-CG 4.22Å; F829-Y834 HydrophobicContact CE1-CD2 4.38Å; F829-Y834 AromaticContact CE2-CD2 3.55Å; F829-Y834 HydrophobicContact CE2-CD2 3.55Å; F829-Y834 AromaticContact CE2-CE2 3.99Å; F829-Y834 HydrophobicContact CE2-CE2 3.99Å; F829-Y834 AromaticContact CG-CD2 3.79Å; F829-Y834 HydrophobicContact CG-CD2 3.79Å; F829-Y834 HydrophobicContact CG-CG 4.22Å; F829-Y834 HydrophobicContact CZ-CD2 4.06Å; N830-Y834 PolarHBondContact O-N 3.24Å; N830-Y834 VanDerWaalsContact O-N 3.16Å; P831-Y834 PolarHBondContact O-N 3.41Å; Y834-A837 PolarHBondContact O-N 3.29Å; Y834-I838 HydrophobicContact CD1-CD1 4.1Å; Y834-I838 HydrophobicContact CD2-CD1 4.29Å; Y834-I838 HydrophobicContact CE1-CD1 3.56Å; Y834-I838 HydrophobicContact CE2-CD1 3.79Å; Y834-I838 HydrophobicContact CG-CD1 4.45Å; Y834-I838 VanDerWaalsContact CZ-CD1 3.4Å; Y834-I838 PolarHBondContact O-N 2.94Å
835Y52.5Low44Very low18 Ų1846.1 Ų46.17%0.07125%0.247CC..Hα-helixtrans-69.4-34.1-179.7-72.6-70.7000112.2H573 M576 P831 A837 I838 D839H573-Y835 AromaticContact CD2-CD1 3.87Å; M576-Y835 HydrophobicContact CB-CD2 3.95Å; M576-Y835 HydrophobicContact CB-CE2 4.2Å; M576-Y835 HydrophobicContact CE-CD2 4.19Å; M576-Y835 HydrophobicContact CG-CD2 3.9Å; M576-Y835 HydrophobicContact CG-CE2 3.7Å; P831-Y835 VanDerWaalsContact O-CD2 3.3Å; P831-Y835 WeakPolarHBondContact O-CD2 3.27Å; P831-Y835 PolarHBondContact O-N 3.28Å; Y835-A837 VanDerWaalsContact C-N 3.34Å; Y835-A837 PolarHBondContact O-N 3.27Å; Y835-I838 PolarHBondContact O-N 2.8Å; Y835-D839 PolarHBondContact O-N 3.2Å
836Q49.5Very low43.6Very low61 Ų6151.3 Ų51.329%0.28528%0.279SS..Hα-helixtrans-57.6-43.4169.1-73.2177.3-28.900112.4E580 V832 S840E580-Q836 VanDerWaalsContact CD-NE2 3.34Å; E580-Q836 HydrophobicContact CG-CG 4.41Å; E580-Q836 WeakPolarHBondContact OE1-CG 3.48Å; E580-Q836 PolarHBondContact OE1-NE2 3.38Å; V832-Q836 WeakPolarHBondContact O-CG 3.4Å; V832-Q836 PolarHBondContact O-N 3.38Å; Q836-S840 WeakPolarHBondContact O-CB 3.09Å; Q836-S840 PolarHBondContact O-N 2.83Å; Q836-S840 VanDerWaalsContact O-N 3.08Å; Q836-S840 PolarHBondContact O-OG 2.89Å
837A46.3Very low43Very low17 Ų1753.7 Ų53.714%0.1430%0.304CS..Hα-helixtrans-67.5-34176.900000112.7Q833 Y834 Y835 S840 L841Q833-A837 WeakPolarHBondContact O-CB 3.27Å; Q833-A837 PolarHBondContact O-N 3.04Å; Y834-A837 PolarHBondContact O-N 3.29Å; Y835-A837 VanDerWaalsContact C-N 3.34Å; Y835-A837 PolarHBondContact O-N 3.27Å; A837-S840 PolarHBondContact O-N 2.9Å; A837-L841 PolarHBondContact O-N 2.72Å
838I47.7Very low42.1Very low30 Ų3062.4 Ų62.415%0.15434%0.344CS..Hα-helixtrans-73.6-40.2177.2-72.4178.1000112.5Y834 Y835 S840 L841 N842 Y861Y834-I838 HydrophobicContact CD1-CD1 4.1Å; Y834-I838 HydrophobicContact CD2-CD1 4.29Å; Y834-I838 HydrophobicContact CE1-CD1 3.56Å; Y834-I838 HydrophobicContact CE2-CD1 3.79Å; Y834-I838 HydrophobicContact CG-CD1 4.45Å; Y834-I838 VanDerWaalsContact CZ-CD1 3.4Å; Y834-I838 PolarHBondContact O-N 2.94Å; Y835-I838 PolarHBondContact O-N 2.8Å; I838-S840 VanDerWaalsContact C-N 3.26Å; I838-S840 PolarHBondContact O-N 3.23Å; I838-L841 VanDerWaalsContact O-CB 3.25Å; I838-L841 WeakPolarHBondContact O-CB 3.33Å; I838-L841 PolarHBondContact O-N 2.95Å; I838-N842 VanDerWaalsContact O-CG 3.27Å; I838-N842 PolarHBondContact O-N 2.84Å; I838-N842 PolarHBondContact O-ND2 3.41Å; I838-N842 VanDerWaalsContact O-ND2 3.16Å; I838-Y861 HydrophobicContact CD1-CE2 4.32Å
839D43.8Very low41.2Very low59 Ų5966.9 Ų66.932%0.31637%0.374SS..Hα-helixtrans-66.9-30.6172.5-91.35.2000112K577 Y835 N842 T843K577-D839 WeakPolarHBondContact CE-OD2 3.44Å; K577-D839 IonicContact NZ-OD1 2.72Å; K577-D839 IonicContact NZ-OD2 3.86Å; K577-D839 PolarHBondContact NZ-OD2 3.13Å; Y835-D839 PolarHBondContact O-N 3.2Å; D839-N842 PolarHBondContact O-N 3.21Å; D839-T843 WeakPolarHBondContact O-CG2 3.47Å; D839-T843 PolarHBondContact O-N 3.45Å; D839-T843 PolarHBondContact O-OG1 3.27Å
840S40.6Very low39.9Very low66 Ų6670.2 Ų70.246%0.46240%0.402SS..Hα-helixtrans-68-36.5171.9-56.70000112.6Q836 A837 I838 T843 T844Q836-S840 WeakPolarHBondContact O-CB 3.09Å; Q836-S840 PolarHBondContact O-N 2.83Å; Q836-S840 VanDerWaalsContact O-N 3.08Å; Q836-S840 PolarHBondContact O-OG 2.89Å; A837-S840 PolarHBondContact O-N 2.9Å; I838-S840 VanDerWaalsContact C-N 3.26Å; I838-S840 PolarHBondContact O-N 3.23Å; S840-T843 WeakPolarHBondContact CA-OG1 3.33Å; S840-T843 PolarHBondContact O-OG1 3.19Å; S840-T844 WeakPolarHBondContact O-CG2 3.33Å; S840-T844 PolarHBondContact O-N 2.76Å; S840-T844 PolarHBondContact O-OG1 3.15Å
841L35.1Very low38.5Very low59 Ų5978.4 Ų78.431%0.30944%0.442SS..Hα-helixtrans-60.7-51169.1-100.2175.2000111.9P660 A837 I838 T843 T844 H845P660-L841 HydrophobicContact CB-CD1 4.36Å; P660-L841 HydrophobicContact CB-CD2 4Å; P660-L841 HydrophobicContact CB-CG 3.69Å; P660-L841 HydrophobicContact CG-CD1 3.82Å; P660-L841 HydrophobicContact CG-CD2 3.64Å; P660-L841 HydrophobicContact CG-CG 3.55Å; A837-L841 PolarHBondContact O-N 2.72Å; I838-L841 VanDerWaalsContact O-CB 3.25Å; I838-L841 WeakPolarHBondContact O-CB 3.33Å; I838-L841 PolarHBondContact O-N 2.95Å; L841-T843 VanDerWaalsContact C-N 3.3Å; L841-T843 PolarHBondContact O-N 3.47Å; L841-T844 PolarHBondContact O-N 2.92Å; L841-T844 PolarHBondContact O-OG1 3.06Å; L841-H845 PolarHBondContact O-N 3.4Å
842N34.9Very low36.9Very low98 Ų9883.5 Ų83.552%0.52447%0.473SS..Hα-helixtrans-68.1-32.9-172.3-69.6-31.6000111.8I838 D839I838-N842 VanDerWaalsContact O-CG 3.27Å; I838-N842 PolarHBondContact O-N 2.84Å; I838-N842 PolarHBondContact O-ND2 3.41Å; I838-N842 VanDerWaalsContact O-ND2 3.16Å; D839-N842 PolarHBondContact O-N 3.21Å
843T33.5Very low35.6Very low87 Ų8788.8 Ų88.853%0.53451%0.508SS..Hα-helixtrans-73.6-43.9175.745.50000112.7D839 S840 L841 H845 T846D839-T843 WeakPolarHBondContact O-CG2 3.47Å; D839-T843 PolarHBondContact O-N 3.45Å; D839-T843 PolarHBondContact O-OG1 3.27Å; S840-T843 WeakPolarHBondContact CA-OG1 3.33Å; S840-T843 PolarHBondContact O-OG1 3.19Å; L841-T843 VanDerWaalsContact C-N 3.3Å; L841-T843 PolarHBondContact O-N 3.47Å; T843-H845 VanDerWaalsContact C-N 3.28Å; T843-H845 PolarHBondContact O-N 3.42Å; T843-T846 PolarHBondContact O-N 3.49Å; T843-T846 VanDerWaalsContact O-N 3.16Å; T843-T846 PolarHBondContact O-OG1 2.62Å
844T30.1Very low34.2Very low95 Ų9595.6 Ų95.658%0.58354%0.543SS*.Hα-helixtrans-62.4-32.2179.645.20000113.2S840 L841 T846 A847S840-T844 WeakPolarHBondContact O-CG2 3.33Å; S840-T844 PolarHBondContact O-N 2.76Å; S840-T844 PolarHBondContact O-OG1 3.15Å; L841-T844 PolarHBondContact O-N 2.92Å; L841-T844 PolarHBondContact O-OG1 3.06Å; T844-T846 PolarHBondContact O-N 3.25Å; T844-T846 VanDerWaalsContact O-N 3.11Å; T844-A847 PolarHBondContact O-N 2.99Å; T844-A847 VanDerWaalsContact O-N 3.16Å
845H31.8Very low32.8Very low157 Ų157100.6 Ų100.673%0.72757%0.572SS**THydrogen-bonded Turntrans-64.7-10.9176-103.6-69.3000115.8L841 T843L841-H845 PolarHBondContact O-N 3.4Å; T843-H845 VanDerWaalsContact C-N 3.28Å; T843-H845 PolarHBondContact O-N 3.42Å
846T28.1Very low31.5Very low124 Ų124109 Ų10976%0.76161%0.61SS**THydrogen-bonded Turntrans-87.1-6.6175.364.50000114.1T843 T844T843-T846 PolarHBondContact O-N 3.49Å; T843-T846 VanDerWaalsContact O-N 3.16Å; T843-T846 PolarHBondContact O-OG1 2.62Å; T844-T846 PolarHBondContact O-N 3.25Å; T844-T846 VanDerWaalsContact O-N 3.11Å
847A25.2Very low30.3Very low82 Ų82111.8 Ų111.868%0.67863%0.631SS**SBendtrans-103.510.8-169.100000115.9T844T844-A847 PolarHBondContact O-N 2.99Å; T844-A847 VanDerWaalsContact O-N 3.16Å
848Q24.9Very low29.3Very low186 Ų186117.1 Ų117.187%0.86966%0.662SS**  trans-135.9122.7170.6-74.9-176.66.600111.4
849T22.5Very low28.2Very low134 Ų134123.2 Ų123.282%0.82270%0.695SS**  trans-107.5153.3174.132.50000111.5
850S22.3Very low27.2Very low112 Ų112126 Ų12678%0.78371%0.713SS**  trans68.781.517969.10000117.7
851M23.4Very low26.5Very low180 Ų180129.6 Ų129.689%0.88772%0.718SS**  -161.8154.3127.7-101.2-57.314600109.9
852T22.4Very low26.1Very low121 Ų121135.8 Ų135.874%0.74275%0.745SS**  trans-84.3129.2-169.851.50000113.6
853P25.6Very low25.6Very low116 Ų116137.4 Ų137.475%0.75375%0.753SS**  trans-78.2141.7174.531.7-34.1000112.4
854I23.8Very low25.2Very low165 Ų165138.8 Ų138.885%0.84676%0.76SS**  trans-105.2123.7171.6-68.6166000108.3
855N24.6Very low25Very low145 Ų145140.3 Ų140.378%0.77577%0.765SS**  trans-77.3123.5-177.3-75.2-14.8000112.8
856K24.6Very low24.6Very low196 Ų196139.9 Ų139.985%0.85277%0.768SS**  165.9110.5127.2-92.4168.3-179-1750112
857T24.2Very low24.4Very low118 Ų118140.1 Ų140.172%0.72476%0.764SS**SBend178.9142.3110.333.70000112.2
858T26.5Very low24.3Very low130 Ų130143.9 Ų143.980%0.79877%0.765SS**  trans55105158.439.60000120.5
859N24Very low24.3Very low158 Ų158140.8 Ų140.885%0.84576%0.759SS**  trans-45.2139.8168.2-53.1-23.1000116.3
860V24.2Very low24.5Very low117 Ų117143.1 Ų143.171%0.70976%0.76SS**  -138.7146.2125.4-162.30000107.1
861Y24.8Very low24.6Very low141 Ų141141.8 Ų141.855%0.55375%0.747SS**SBendtrans61.673.3175.7-61.4-65.7000119I838I838-Y861 HydrophobicContact CD1-CE2 4.32Å
862Q25.9Very low24.6Very low190 Ų190141.9 Ų141.989%0.88874%0.743SS**  trans-143.9142.9135.5-98.7168.62.500105.2
863I24.9Very low24.8Very low132 Ų132144.7 Ų144.768%0.67775%0.745SS**  cis-135.2141.139.2-65.9157.3000111.4
864V26.3Very low24.7Very low115 Ų115143.3 Ų143.370%0.69774%0.738SS**SBendtrans-125.5121.9138.2174.60000106.4
865D24.4Very low24.7Very low127 Ų127141.7 Ų141.768%0.67974%0.736SS**SBendtrans14117.3175.8-56-17000120.9
866D23.4Very low25Very low148 Ų148139.9 Ų139.979%0.79173%0.732SS**  trans44.4122.3144.4-86-11.3000120.7
867L23.7Very low25Very low129 Ų129135.3 Ų135.368%0.67572%0.724SS**  -174.7132.193.4-92.6169.7000114
868K24.1Very low25.1Very low161 Ų161134.2 Ų134.270%0.772%0.722SS**  trans64.4118.1147.6-60.7159.9177.9121.30120
869T25.1Very low25.1Very low121 Ų121133.8 Ų133.874%0.74272%0.715SS**  -146.984.1117.149.40000113.9V871T869-V871 HydrophobicContact CG2-CG2 4.4Å
870H26.8Very low25.1Very low183 Ų183134 Ų13485%0.84771%0.714SS**  trans-154.398.3135.4-107.9-70.2000107.4
871V23.1Very low25.2Very low84 Ų84132.5 Ų132.551%0.50971%0.705SS.*  cis64.4108.640.1-169.70000109.5T869T869-V871 HydrophobicContact CG2-CG2 4.4Å
872K24Very low25.1Very low182 Ų182132.4 Ų132.479%0.79171%0.714SS**  cis-150.21746.6-110.8156.7-167158.20107.1
873K27.9Very low25.1Very low181 Ų181129.8 Ų129.879%0.78771%0.706SS**  cis-166.8159.930.7-140.8167.6-175.9-177.50110.1
874S23.2Very low25.2Very low87 Ų87129.3 Ų129.361%0.60871%0.705SS**  trans28.5126.6151.455.10000120.9
875T23.3Very low25.1Very low130 Ų130130.9 Ų130.980%0.79870%0.704SS**  58156.35678.60000113.8
876P30.2Very low25.2Very low107 Ų107131.9 Ų131.970%0.69571%0.709SS**  cis-140-176.89.445.1-27000117.2
877S24.3Very low25.2Very low100 Ų100128.1 Ų128.170%0.69971%0.705SS**  trans20.4148.614169.40000121.6
878S26.3Very low25.3Very low96 Ų96129.4 Ų129.467%0.67171%0.713SS**  171.3176.970.152.90000108.4
879N26.5Very low25.4Very low121 Ų121129 Ų12965%0.64772%0.719SS**  cis-145.4167.618.3-112.8-47000108.4T881N879-T881 PolarHBondContact OD1-N 2.78Å
880I24.8Very low25.3Very low161 Ų161131.7 Ų131.783%0.82672%0.723SS**SBend-130.7116.173.4-74.2178.2000111.8
881T26.8Very low25.3Very low87 Ų87130.9 Ų130.953%0.53472%0.723SS.*  35.5108127.7-140000116.8N879N879-T881 PolarHBondContact OD1-N 2.78Å
882L22.3Very low25.3Very low138 Ų138132.6 Ų132.672%0.72374%0.737SS**  55.9114.471.1-70.8167.5000115.2
883N26.7Very low25.4Very low135 Ų135135.2 Ų135.272%0.72274%0.742SS**  -175.7123.6119.7-89.2-17.5000107.1
884N25.9Very low25.4Very low122 Ų122132.9 Ų132.965%0.65275%0.745SS**  70.2130.182-61.7-0000111.5
885H23.8Very low25.4Very low148 Ų148138 Ų13869%0.68576%0.757SS**  cis-161.1179.72.6-142.2-101.2000110.9
886D26.9Very low25.5Very low148 Ų148139.4 Ų139.479%0.79176%0.756SS**  trans66.7157.5160.7-53.4-38.7000119.9
887G24.6Very low25.2Very low69 Ų69142 Ų14271%0.71176%0.759SS**  trans175-41.4158.600000122.2
888N24Very low25.3Very low157 Ų157142.7 Ų142.784%0.8476%0.764SS**  trans61.7163.1178.4-69.7-10.3000119.9
889N27.4Very low25.1Very low152 Ų152146 Ų14681%0.81377%0.773SS**  trans76106.6155.7-65.3-0.7000121.5
890E23Very low25.2Very low177 Ų177144.1 Ų144.183%0.82777%0.767SS**  trans-29.9153.1142.1-46.4173.2138.400116.2
891I27Very low25.3Very low167 Ų167142.2 Ų142.286%0.85676%0.763SS**  -175.7159.1114.5-95.1160.7000110.4
892C23.4Very low25.2Very low119 Ų119142.3 Ų142.380%0.80477%0.768SS**  trans-78.8161.3-169.2-59.90000116.3
893R25.5Very low25.2Very low237 Ų237143.2 Ų143.289%0.89477%0.772SS**  trans-43.6149.2173.3-57.3167.8176.4166.1-3.2114.3
894P27.9Very low25.1Very low132 Ų132141.4 Ų141.486%0.85777%0.769SS**  -120.8-173.7109.235.5-33.1000113.8
895K23.3Very low24.9Very low195 Ų195140.9 Ų140.985%0.84877%0.765SS**  trans-101.4164.5-164.9-72.3-179.4173.9176.80114.8
896M24.1Very low25Very low160 Ų160138.4 Ų138.479%0.78876%0.762SS**  trans87.384.3155.8-63.7-145.8144.100119.8
897H25.3Very low24.7Very low162 Ų162137.9 Ų137.975%0.7576%0.759SS**  74.7115.9123.7-74.4-71.8000122
898S24.8Very low24.8Very low114 Ų114140.6 Ų140.680%0.79776%0.758SS**  trans105.5142.8132.574.30000117.6
899L24Very low24.8Very low166 Ų166140.2 Ų140.287%0.86976%0.755SS**  trans-59.4146.8-173.7-68.9144.8000111.2
900P27.4Very low24.7Very low81 Ų81138 Ų13853%0.52675%0.746SS.*  -123-168.8100.319.60.5000109.2I905P900-I905 HydrophobicContact CB-CD1 3.95Å; P900-I905 HydrophobicContact CG-CD1 3.98Å
901T27Very low24.8Very low121 Ų121138.3 Ų138.374%0.74275%0.745SS**  cis-162.1148.838.140.80000111.2
902S25.4Very low24.9Very low89 Ų89139.1 Ų139.162%0.62274%0.742SS**SBendcis-166.6128-14.846.10000110.7
903I21.3Very low24.9Very low157 Ų157138 Ų13881%0.80574%0.736SS**SBend-98.4140.4122.7-77.5178.6000106.1
904S24.4Very low25Very low96 Ų96134.1 Ų134.167%0.67173%0.733SS**  trans-25.9143.6168.631.60000116.3
905I22.5Very low25Very low112 Ų112135 Ų13557%0.57473%0.731SS**  cis53.6122.711.3-21.9173.6000116P900P900-I905 HydrophobicContact CB-CD1 3.95Å; P900-I905 HydrophobicContact CG-CD1 3.98Å
906P25.3Very low25.8Very low96 Ų96130.6 Ų130.662%0.62372%0.722SS**  cis-125.2-145.4-3433.8-11.9000109.8
907D22.1Very low26.2Very low136 Ų136130.5 Ų130.573%0.72772%0.719SS**  trans63.5139.9158.9-50.1-16.9000118.7
908D26.6Very low26.6Very low127 Ų127129.8 Ų129.868%0.67972%0.716SS**  cis-143.8130.3-1.1-112-15.5000108.9
909L22.4Very low26.7Very low148 Ų148131.7 Ų131.778%0.77571%0.712SS**  65.2131.490.4-79.4-175.6000117.9
910V25.8Very low26.8Very low105 Ų105128 Ų12864%0.63670%0.701SS**  trans71.590.5148.4178.80000118.2
911K26.2Very low27.2Very low185 Ų185130.3 Ų130.380%0.80472%0.716SS**  178.8142109.7-97.1141.6-165.3148.80116
912K27.7Very low27Very low183 Ų183129.6 Ų129.680%0.79672%0.716SS**  trans64.698.8142.4-70-178.5174-1730121.8
913S23.5Very low26.9Very low96 Ų96131.9 Ų131.967%0.67173%0.726SS**  61.9132.2117.466.30000123.4
914N28.9Very low27.1Very low156 Ų156130.3 Ų130.383%0.83472%0.723SS**  trans101.2137.1153.7-60.1-0.6000119.5
915D27.7Very low27.4Very low151 Ų151133.3 Ų133.381%0.80773%0.731SS**  trans-79.5-170.1174.9-42.6-102000112.4
916P39.9Very low27.5Very low102 Ų102136 Ų13666%0.66275%0.746SS**  cis-138.7-174.9-225.21.7000117.1
917H32.1Very low28.2Very low157 Ų157136.7 Ų136.773%0.72775%0.75SS**  trans75.9138.3170.1-57.8-98000118.5
918Q32.8Very low28.2Very low148 Ų148140.4 Ų140.469%0.69276%0.76SS**  cis-171.1169.2-15.4-106.8-171.2-75.200107.4
919Q27Very low28.1Very low153 Ų153143.1 Ų143.172%0.71577%0.771SS**  cis-177164.4-36.8-105.9-173.2-27.100107.6
920S27.7Very low28.7Very low90 Ų90142.1 Ų142.163%0.62977%0.773SS**  -177.4113-51.652.40000111.6
921P34.3Very low28.7Very low129 Ų129143 Ų14384%0.83878%0.779SS**  trans-112.2143.4162.635.5-26.2000113.3
922S23.2Very low28.9Very low106 Ų106139.6 Ų139.674%0.74178%0.776SS**  trans-159.3141.6-176-700000109.4
923T24.2Very low28.7Very low137 Ų137136.3 Ų136.384%0.8477%0.774SS**  84.7164.274.8-39.50000113.3
924V25.5Very low28.7Very low123 Ų123136.3 Ų136.375%0.74578%0.775SS**  trans-132.9148.1-142.4168.80000115.9
925L30.7Very low28.7Very low160 Ų160138.4 Ų138.484%0.83878%0.777SS**  trans76.7132.5160.9-85.7166.7000123
926L23.3Very low28.8Very low168 Ų168136 Ų13688%0.8877%0.772SS**  trans-173.7155151.4-102.5169.1000111.9
927P39.8Very low28Very low110 Ų110136.9 Ų136.971%0.71478%0.775SS**  trans-133.8154.7-170.841.9-27.6000119.8
928K23.8Very low28Very low215 Ų215134.2 Ų134.294%0.93578%0.78SS**  trans178.5-175.2153.8-101.4162.2-175179.10112.7
929M23Very low27.5Very low184 Ų184131.9 Ų131.991%0.90678%0.78SS**  trans-143.9-180-167.5-62.5-179.3175.700111.4
930P36.1Very low27.4Very low126 Ų126131.3 Ų131.382%0.81879%0.787SS**  cis-143.3-120.915.144-19.8000117.5
931T25.7Very low27.1Very low125 Ų125134.7 Ų134.777%0.76780%0.798SS**  trans-91.7168.2-167.9500000116.6
932P30.6Very low26.6Very low113 Ų113133.5 Ų133.573%0.73479%0.792SS**  cis-134.3-176.8-9.740.7-22.5000116.5
933C22.4Very low26.7Very low113 Ų113134.4 Ų134.476%0.76479%0.794SS**  trans68.7102.7153.5-70.30000124.3
934S24.8Very low27.1Very low97 Ų97138.4 Ų138.468%0.67880%0.795SS**  74.5140.1128.972.90000124.3
935F28.6Very low27.5Very low200 Ų200138.7 Ų138.788%0.87780%0.799SS**  trans61.9148.6167.2-59.9-77.3000117.9
936S29.2Very low27.2Very low101 Ų101134.2 Ų134.271%0.70679%0.792SS**  cis-170.5142-19.257.10000108.5
937T23.6Very low27.3Very low120 Ų120133.4 Ų133.474%0.73679%0.788SS**  cis-135.1175.73.255.90000111.3
938A31.5Very low26.6Very low101 Ų101135.4 Ų135.484%0.83579%0.793SS**  trans45.376.2145.500000118.2
939S23.5Very low27.4Very low98 Ų98130.7 Ų130.769%0.68579%0.787SS**  trans-156.9161.8165.749.20000112.1
940T23.7Very low27.5Very low141 Ų141130.1 Ų130.187%0.86579%0.786SS**  trans65.3168165.856.50000119.9
941L22Very low27Very low162 Ų162127.2 Ų127.285%0.84878%0.779SS**  trans-78.3152.5179.1-109.173.2000112.8
942S23.5Very low26.9Very low103 Ų103132.7 Ų132.772%0.7279%0.785SS**  121.3138126.479.90000119.7
943T24.9Very low26.6Very low126 Ų126132.4 Ų132.477%0.77379%0.785SS**  trans82131.8147.1-30.60000120.8
944Y32.9Very low26.7Very low221 Ų221137 Ų13787%0.86779%0.786SS**  trans-59.5176.4167.7-64.8-97.3000113.9
945P33.8Very low26.8Very low128 Ų128138.9 Ų138.983%0.83178%0.782SS**  cis-130.1-174.50.341.5-25.8000114.7
946G24.2Very low26.8Very low67 Ų67137.8 Ų137.869%0.69178%0.777SS**  trans136.199.8148.400000119.3
947N25.9Very low26.8Very low151 Ų151138.4 Ų138.481%0.80777%0.769SS**  trans53.8141.3145.3-68.312.4000124.5
948N25.5Very low27Very low152 Ų152137.7 Ų137.781%0.81377%0.766SS**  trans71.5120.7149.4-63.9-3.6000119.8
949S40.3Very low26.7Very low116 Ų116136.6 Ų136.681%0.81175%0.752SS**  trans-79.1126.9177.655.70000113.4
950I24.9Very low26.9Very low172 Ų172140 Ų14088%0.88276%0.757SS**  trans-159142.2150.4-108.5157.3000110.6
951G25.4Very low27Very low64 Ų64138.3 Ų138.366%0.6675%0.746SS**  trans6988.2139.100000121.2
952R22.9Very low27.1Very low241 Ų241136.4 Ų136.491%0.90974%0.742SS**  trans63.4105136-67.2-179.6172.4-179.9-1.6120.4
953C24.3Very low27.2Very low107 Ų107137 Ų13772%0.72375%0.746SS**  55.2121.3105.1-76.70000122.4
954R25.7Very low27.2Very low210 Ų210134.6 Ų134.679%0.79275%0.746SS**  96.4156.3122.5-76.1174.5177.6-175.4-1.5120.5
955K27.6Very low26.9Very low136 Ų136135.8 Ų135.859%0.59175%0.749SS**  trans76.3166.7158.9-77.1177.4-179-158.20114.6Q957K955-Q957 HydrophobicContact CD-CG 4.47Å; K955-Q957 HydrophobicContact CG-CG 4.34Å
956F27.5Very low26.9Very low177 Ų177134.6 Ų134.678%0.77674%0.741SS**  cis-129.3149.218.1-69.8-100.2000111.9
957Q29.4Very low27Very low113 Ų113135.4 Ų135.453%0.52874%0.737SS.*  cis72.5127.144.7-86.8-149.7-73.400116.1K955K955-Q957 HydrophobicContact CD-CG 4.47Å; K955-Q957 HydrophobicContact CG-CG 4.34Å
958P27.4Very low27.2Very low105 Ų105136.4 Ų136.468%0.68274%0.736SS**  -81.3140.1112.3-19.734.6000109.7
959S26.1Very low27.3Very low78 Ų78133.8 Ų133.855%0.54573%0.729SS.*  63.9121.651.584.40000111.7
960H26.3Very low26.7Very low169 Ų169132.2 Ų132.278%0.78272%0.723SS**  cis-150.4172.122.9-87.7-88.8000111.4
961V26.2Very low26.8Very low106 Ų106130.8 Ų130.864%0.64272%0.718SS**  cis-173.4154.5-32.772.90000110.7
962T25Very low26.9Very low122 Ų122133.8 Ų133.875%0.74872%0.723SS**  trans61156.5160.150.80000121
963S24.4Very low27Very low117 Ų117127.5 Ų127.582%0.81872%0.716SS**  cis-172.2158.1-17.650.60000112.5
964G26.4Very low27.5Very low74 Ų74127.3 Ų127.376%0.76371%0.714SS**  trans128.9122.2169.400000111.1
965R26.2Very low27.3Very low246 Ų246122.8 Ų122.893%0.92871%0.709SS**  cis67.1139.545.7-88.7-163168.8-164.9-2.1114.7
966P32.6Very low27Very low103 Ų103126.7 Ų126.767%0.66972%0.721SS**  cis-142.4175.1-17.143.5-25.9000116.6
967S27.2Very low26.8Very low85 Ų85126.2 Ų126.259%0.59473%0.725SS**  trans23.9135.5144.459.50000121.4
968H30.5Very low26.4Very low171 Ų171124.6 Ų124.679%0.79273%0.726SS**  -177.7165.672.8-95-85.6000109.9
969S26.4Very low26.3Very low97 Ų97128 Ų12868%0.67873%0.733SS**  cis-176.2177.6-27.153.30000110.4
970A29.3Very low26.3Very low83 Ų83129.2 Ų129.269%0.68674%0.741SS**  trans79.4144172.600000116.7
971N26.7Very low26.2Very low143 Ų143129.6 Ų129.677%0.76574%0.743SS**  cis-156.7152.8-14.3-115.2-11.7000113
972T27.2Very low26.1Very low127 Ų127133.3 Ų133.378%0.77975%0.753SS**  trans60.7156.116556.30000119.2
973S23.9Very low25.9Very low108 Ų108133.7 Ų133.776%0.75575%0.751SS**  cis-163.2162.5-38.9-102.30000109.3
974P35.5Very low25.9Very low104 Ų104132.4 Ų132.468%0.67574%0.742SS**  trans-127.4-165.5-157.236.4-16.9000114.7
975T22.2Very low25.7Very low114 Ų114137.4 Ų137.470%0.69975%0.745SS**  trans74.9125.4149.3290000120.9
976R21.3Very low25.6Very low219 Ų219130.5 Ų130.583%0.82673%0.73SS**  50.8142127.3-80.1-174.9169-151.2-2.1120.3
977L21.5Very low25Very low167 Ų167134.5 Ų134.587%0.87474%0.738SS**  trans71.9140.4167.4-58.3157.4000111.8
978S22.1Very low24.8Very low78 Ų78139.5 Ų139.555%0.54575%0.745SS.*  cis-161153.75.744.20000110.5
979H25.3Very low24.4Very low177 Ų177139.1 Ų139.182%0.81974%0.741SS**  trans66.4157.3164.3-48.9-45.6000115.3
980S27.1Very low24.3Very low104 Ų104140.4 Ų140.473%0.72775%0.745SS**  cis-149.3153-22.236.70000110.2E982S980-E982 PolarHBondContact O-N 2.72Å
981H22.4Very low24Very low177 Ų177141.5 Ų141.582%0.81975%0.748SS**  trans-34.2126.8145.6-91.9-102.8000113.2
982E24.4Very low23.8Very low183 Ų183142.5 Ų142.586%0.85575%0.749SS**  trans167.1158.6139.9-94166-15300105.9S980S980-E982 PolarHBondContact O-N 2.72Å
983D22.3Very low23.6Very low131 Ų131141.7 Ų141.770%0.70175%0.745SS**  cis-170.9155.8-45.1-141.8-56.8000104.5
984S22.6Very low23.6Very low90 Ų90142.5 Ų142.563%0.62975%0.745SS**  trans32.2115.4144.7-63.90000122.3
985Q22.2Very low23.1Very low178 Ų178148.2 Ų148.283%0.83275%0.753SS**  80.6174.7128.6-66.9-103.7-1.200121
986V24.1Very low23.6Very low102 Ų102150.1 Ų150.162%0.61876%0.759SS**  trans71.1104.2166.1-143.20000115Y988V986-Y988 HydrophobicContact CG1-CD2 3.82Å; V986-Y988 HydrophobicContact CG1-CE2 3.9Å
987F20.8Very low23.7Very low187 Ų187148 Ų14882%0.8276%0.755SS**  44.113489.3-92.2-94.9000115.2
988Y23.7Very low24Very low189 Ų189147.4 Ų147.474%0.74175%0.748SS**  -166.9160.4100.9-113.3-82.1000114.2V986V986-Y988 HydrophobicContact CG1-CD2 3.82Å; V986-Y988 HydrophobicContact CG1-CE2 3.9Å
989K21.6Very low24.4Very low163 Ų163149 Ų14971%0.70976%0.76SS**  trans-38.6136-176-67.9169179.81770118.2
990T24.9Very low24.4Very low124 Ų124146.6 Ų146.676%0.76175%0.747SS**  32.5121.9110.4-41.60000119.6
991S22.9Very low24.5Very low107 Ų107149.2 Ų149.275%0.74875%0.751SS**  trans87120.8151.3-75.70000121.9
992M21.5Very low24.7Very low163 Ų163144.5 Ų144.580%0.80374%0.738SS**  trans89.190.1137.3-75.1-162.5138.700122.1
993T23.4Very low24.7Very low111 Ų111143 Ų14368%0.68173%0.731SS**  78.8118.3117.754.30000122.2
994V24.4Very low25Very low125 Ų125141.6 Ų141.676%0.75873%0.732SS**  93.2139.8123.3163.40000119.1
995R24.1Very low25.1Very low224 Ų224147.3 Ų147.385%0.84574%0.739SS**  trans84.9135-175.4-66.1169.5-171.9171.92.4113.8
996N32.3Very low25.2Very low153 Ų153149.6 Ų149.682%0.81874%0.74SS**  cis-117.6166.3-0.7-93.9-27.9000113.6
997K24.5Very low25.1Very low174 Ų174148.9 Ų148.976%0.75774%0.74SS**  trans-112.3-176.5-174.4-64.6177.7175.2177.70110.7
998Q27.8Very low25.1Very low155 Ų155149.8 Ų149.872%0.72474%0.74SS**  trans79.8140.9162.7-67.7145.2-77.700114.2F1000Q998-F1000 HydrophobicContact CB-CD2 4.26Å; Q998-F1000 HydrophobicContact CG-CD2 3.69Å; Q998-F1000 HydrophobicContact CG-CE2 3.72Å
999S29.8Very low25Very low113 Ų113145.7 Ų145.779%0.7974%0.739SS**  cis-162.21607.123.60000112.4
1000F25.9Very low25.1Very low125 Ų125145.4 Ų145.455%0.54874%0.744SS.*  cis-174.7151.8-30.6-130.5-77.7000108Q998Q998-F1000 HydrophobicContact CB-CD2 4.26Å; Q998-F1000 HydrophobicContact CG-CD2 3.69Å; Q998-F1000 HydrophobicContact CG-CE2 3.72Å
1001I29.1Very low25Very low159 Ų159148 Ų14882%0.81575%0.745SS**  trans168.179.2154-91.5153.9000104.3
1002S26.8Very low25Very low78 Ų78149.5 Ų149.555%0.54574%0.744SS.*  77.7104.899.3640000112.3
1003Q24.6Very low25.1Very low151 Ų151150 Ų15071%0.70674%0.744SS**  60.7132.277.1-61.6-1799.800111.7
1004S28.4Very low25.2Very low102 Ų102150.1 Ų150.171%0.71375%0.745SS**  cis-167.2-177.146.168.20000111.5
1005R25.5Very low25.3Very low211 Ų211149.9 Ų149.980%0.79674%0.744SS**  cis-155.1115.83.6-151.5174.9176.1113.2-1.6115.1
1006W22.9Very low25.4Very low225 Ų225145 Ų14585%0.85274%0.739SS**  trans59.9-173.7139.6-67.559.4000120.8
1007S21.5Very low25.3Very low88 Ų88143.6 Ų143.662%0.61573%0.732SS**  trans-164168.6-153.454.10000112.4
1008Y22.1Very low25.5Very low205 Ų205140.4 Ų140.480%0.80472%0.723SS**  trans84129.1163.8-77.3-74.7000121.3
1009S22.1Very low25.6Very low103 Ų103138.7 Ų138.772%0.7272%0.715SS**  trans92142.2135.8-150.70000121.5
1010L23Very low25.4Very low157 Ų157138.8 Ų138.882%0.82272%0.716SS**  trans65.8151.3161.7-114.272.8000120.1
1011K22.7Very low25.4Very low180 Ų180140 Ų14078%0.78373%0.728SS**  trans-71.1145.1153.7-60177.9178.2-176.80107.6
1012D22Very low25.3Very low137 Ų137137.4 Ų137.473%0.73372%0.716SS**  -174.7159.9108.2-88.3-14.7000112.3
1013H25Very low25.3Very low174 Ų174136.7 Ų136.781%0.80671%0.71SS**  trans-1.3144.3171.1-66.1-82000123.5
1014T24.3Very low25.5Very low113 Ų113134.8 Ų134.869%0.69371%0.705SS**  trans-68.9171.6170.5520000114.1
1015T26.8Very low25.6Very low120 Ų120136.2 Ų136.274%0.73671%0.705SS**  trans63.3130.3148.7420000118.7
1016T27.2Very low25.7Very low121 Ų121130.4 Ų130.474%0.74270%0.697SS**  cis-158.3-178.5-8.6-13.50000109.7
1017D29.9Very low25.7Very low125 Ų125130.5 Ų130.567%0.66870%0.697SS**  trans-58.8154.5178-50.9-92.9000115.4Q1019D1017-Q1019 HydrophobicContact CB-CG 4.47Å
1018N27.1Very low25.9Very low106 Ų106138.1 Ų138.157%0.56771%0.712SS**  trans-143.275.3149.8-99.5-7.7000110.4S1023 N1024N1018-S1023 PolarHBondContact ND2-O 2.97Å; N1018-N1024 WeakPolarHBondContact CB-O 3.42Å; N1018-N1024 PolarHBondContact ND2-O 2.87Å
1019Q31.6Very low26.3Very low119 Ų119132 Ų13256%0.55670%0.697SS**  36.8151.1113.7-54.8-178.813.100120.9D1017 N1021 N1022 S1023D1017-Q1019 HydrophobicContact CB-CG 4.47Å; Q1019-N1021 WeakPolarHBondContact CB-O 3.37Å; Q1019-N1021 PolarHBondContact OE1-O 3.01Å; Q1019-N1022 VanDerWaalsContact CB-N 3.31Å; Q1019-N1022 WeakPolarHBondContact CB-O 3.46Å; Q1019-N1022 CarbonylContact O-C 3.48Å; Q1019-S1023 PolarHBondContact O-N 2.94Å
1020S25Very low26.3Very low115 Ų115136.3 Ų136.380%0.80470%0.699SS**SBendtrans-162109.6144.765.10000109.9
1021N26.8Very low26.3Very low151 Ų151135.9 Ų135.981%0.80769%0.693SS**SBendcis-56.3124.3-2.7-45.5-22.7000111.9Q1019Q1019-N1021 WeakPolarHBondContact CB-O 3.37Å; Q1019-N1021 PolarHBondContact OE1-O 3.01Å
1022N25.7Very low26.2Very low105 Ų105134.6 Ų134.656%0.56169%0.694SS**SBendcis-124.1124.6-9.1-74.9-25.6000113.1Q1019Q1019-N1022 VanDerWaalsContact CB-N 3.31Å; Q1019-N1022 WeakPolarHBondContact CB-O 3.46Å; Q1019-N1022 CarbonylContact O-C 3.48Å
1023S26.3Very low26.6Very low62 Ų62136.8 Ų136.843%0.43470%0.7SS.*  trans52121.7142.3-48.60000122.4N1018 Q1019N1018-S1023 PolarHBondContact ND2-O 2.97Å; Q1019-S1023 PolarHBondContact O-N 2.94Å
1024N29.7Very low27.2Very low112 Ų112133.7 Ų133.760%0.59970%0.695SS**  77.7143.5128.4-62.210000120.1N1018N1018-N1024 WeakPolarHBondContact CB-O 3.42Å; N1018-N1024 PolarHBondContact ND2-O 2.87Å
1025D29.8Very low27.2Very low132 Ų132133.2 Ų133.271%0.70670%0.696SS**  cis-165.9172.5-20.1-149.4-34.9000110.4
1026S28.3Very low27Very low89 Ų89134.3 Ų134.362%0.62270%0.697SS**  trans6.6122.2150.7-64.70000119.3
1027R23.4Very low26.8Very low227 Ų227133.7 Ų133.786%0.85769%0.69SS**  65.684.971.8-70-176.6166.6-166.41117.1
1028R25Very low26.6Very low247 Ų247132.1 Ų132.193%0.93268%0.684SS**  trans54.6-148.6149.6-55.1-174.7171-157.6-2.5114.3
1029P30.3Very low26.4Very low76 Ų76134.2 Ų134.249%0.49469%0.689SS.*  -113.4-168.9-69.615.45.1000113.2
1030Y23.1Very low26Very low194 Ų194132.9 Ų132.976%0.76169%0.693SS**  trans86.8142.7160-46-61.3000116.6
1031E21.8Very low26.2Very low149 Ų149132.3 Ų132.370%0.69669%0.688SS**  cis-160.1166.7-19.5-124.7169.6-164.300111.7
1032L21.9Very low26.3Very low153 Ų153131 Ų13180%0.80169%0.691SS**  trans57117.9152.1-67.6161.4000121.6
1033H28.8Very low26.4Very low183 Ų183130 Ų13085%0.84770%0.697SS**  trans-59.7178163.2-68.3-82.9000114.7
1034P37.8Very low26.5Very low108 Ų108136.5 Ų136.570%0.70172%0.718SS**  cis-140.2173.79.128-3.3000119.5
1035S24.8Very low26.4Very low104 Ų104137.1 Ų137.173%0.72773%0.726SS**  trans86.1132.714058.20000124
1036N23.7Very low26.4Very low142 Ų142134.4 Ų134.476%0.75972%0.722SS**  trans86.2131.7149.3-82.247.1000124.8
1037D22Very low26.3Very low109 Ų109136.7 Ų136.758%0.58373%0.727SS**  trans73.292142.5-72.1-53.5000124.1
1038T24.7Very low26.5Very low91 Ų91134 Ų13456%0.55872%0.724SS**  69.5126.7122.556.40000124.4
1039F23.7Very low26.5Very low151 Ų151127.6 Ų127.666%0.66271%0.708SS**  trans63.3156.9149.2-58.8-51.4000117.4K1729F1039-K1729 VanDerWaalsContact CD1-NZ 3.25Å; F1039-K1729 HydrophobicContact CE2-CD 4.22Å; F1039-K1729 HydrophobicContact CZ-CD 4.16Å
1040S24.1Very low26.3Very low91 Ų91134.7 Ų134.764%0.63673%0.727SS**  cis-150.9126.90.3-3.20000107.7
1041S28.8Very low26.4Very low102 Ų102133.3 Ų133.371%0.71373%0.725SS**  62.8138.588.476.90000117.2
1042S28Very low26.8Very low124 Ų124131.2 Ų131.287%0.86772%0.724SS**  trans92.3140173.280.40000116.6
1043A29Very low27.1Very low83 Ų83129.2 Ų129.269%0.68672%0.72SS**  cis-168.2161.8-12.800000114.6
1044K27.5Very low26.8Very low199 Ų199127 Ų12787%0.86572%0.72SS**  trans70.4150.7160-71.6169.8178.9-172.60117.5
1045T28.8Very low26.3Very low125 Ų125127.2 Ų127.277%0.76772%0.722SS**  cis-117.1133.4-2.933.10000109.8
1046A28.8Very low26.4Very low76 Ų76128.5 Ų128.563%0.62873%0.727SS**  72.8134.768.600000112.7
1047N26.9Very low26.3Very low137 Ų137128.9 Ų128.973%0.73373%0.729SS**  cis-150.2167.5-5.9-91.7-16.6000107.2
1048H27.3Very low26.5Very low169 Ų169131.5 Ų131.578%0.78274%0.737SS**  cis-130.4145.126.5-95-100.8000114.5
1049N25.1Very low26.4Very low114 Ų114138.2 Ų138.261%0.6175%0.753SS**  trans-119.6161.7147.2-90.9-88.2000107.1F1051N1049-F1051 HydrophobicContact CB-CD2 4.21Å; N1049-F1051 HydrophobicContact CB-CE2 4.46Å
1050Y26.4Very low26.4Very low224 Ų224134.5 Ų134.588%0.87875%0.745SS**  174.7105.1126.7-95.2-72.3000106.9
1051F25.1Very low26.5Very low166 Ų166135.2 Ų135.273%0.72875%0.75SS**  98.6153.658.5-100.5-118.1000114.1N1049N1049-F1051 HydrophobicContact CB-CD2 4.21Å; N1049-F1051 HydrophobicContact CB-CE2 4.46Å
1052P30.6Very low26.4Very low104 Ų104136 Ų13668%0.67576%0.756SS**  trans-108.4-140-168.445-32.5000109.3
1053P26.9Very low26.4Very low111 Ų111136.9 Ų136.972%0.72175%0.746SS**  cis-128.1-176.1-23.137.1-18.3000114.5
1054T24Very low26.4Very low136 Ų136138.9 Ų138.983%0.83475%0.752SS**  trans-65.2141.4179.552.80000115.9
1055P26.3Very low26.3Very low114 Ų114133.4 Ų133.474%0.7473%0.732SS**  -127.9-176.1119.840.8-33.1000110.5
1056P26.5Very low26.1Very low130 Ų130136.2 Ų136.284%0.84474%0.742SS**  cis-129.3-122.12.441.7-21.9000113.7
1057L22.8Very low26Very low151 Ų151138.5 Ų138.579%0.79174%0.742SS**  trans-122157.8-159.3-86.5155.2000114
1058Q25.6Very low26Very low163 Ų163138.2 Ų138.276%0.76274%0.738SS**  trans69.4122.5150.8-73.6177.311.100121.8
1059R23.1Very low25.8Very low233 Ų233138.3 Ų138.388%0.87974%0.743SS**  48.9139.6128.1-67.5-174.5-177.3-154.1-0.2119.7
1060S23.7Very low25.7Very low73 Ų73138.5 Ų138.551%0.5174%0.744SS.*  cis-166154.318.837.70000114.8
1061S25.2Very low25.6Very low105 Ų105136.9 Ų136.973%0.73474%0.741SS**  trans67.2144.315566.90000117.9
1062S26.5Very low25.6Very low119 Ų119134.4 Ų134.483%0.83275%0.745SS**  cis-141.2148.913.4570000113.7
1063Q28.9Very low25.3Very low143 Ų143137.5 Ų137.567%0.66876%0.755SS**  trans-137.3165.2159.4-146.1179.8-52.500106.3D1065Q1063-D1065 PolarHBondContact NE2-OD1 3.32Å
1064P29.1Very low25.3Very low124 Ų124137.4 Ų137.481%0.80575%0.747SS**  -136135.710336-25.8000112
1065D25.7Very low25.2Very low85 Ų85134.5 Ų134.546%0.45573%0.732SS.*  cis87.49642.8-76.5-39.9000114.3Q1063 I1067Q1063-D1065 PolarHBondContact NE2-OD1 3.32Å; D1065-I1067 HydrophobicContact CB-CD1 3.74Å; D1065-I1067 HydrophobicContact CB-CG1 3.87Å
1066L23Very low25.2Very low184 Ų184132.6 Ų132.696%0.96373%0.733SS**  trans-75.1103.6143.8-80155.4000107.8
1067I27.1Very low25.2Very low124 Ų124130.9 Ų130.964%0.63673%0.725SS**  trans-110.8124.1177.3-84.7170.3000112.6D1065D1065-I1067 HydrophobicContact CB-CD1 3.74Å; D1065-I1067 HydrophobicContact CB-CG1 3.87Å
1068M26.3Very low25.2Very low130 Ų130130.9 Ų130.964%0.6473%0.725SS**  trans20.6132.8149.4-58.6177.457.700121.3
1069L25Very low25.3Very low172 Ų172129.8 Ų129.890%0.90173%0.73SS**  -132.7148.1108.8-73.5172.9000108.6
1070D23Very low25.2Very low117 Ų117123.1 Ų123.163%0.62673%0.725SS**  cis-157.8144.7-32.5-172.98.2000107.5
1071K24.2Very low25.1Very low190 Ų190124 Ų12483%0.82674%0.736SS**  trans-160.399.8174.1-80.6-158.3176.8-173.90113
1072S23.8Very low25.1Very low115 Ų115126.2 Ų126.280%0.80475%0.746SS**  -172.895.5122.537.40000114.5
1073L24.2Very low24.9Very low169 Ų169128.4 Ų128.489%0.88575%0.746SS**  trans-131.6124.6146.2-81.1172000104.1
1074I26.8Very low24.6Very low108 Ų108126 Ų12655%0.55475%0.745SS**SBendcis-132.4176.110.4-87.1158.6000110.5P1595I1074-P1595 HydrophobicContact CD1-CB 4.43Å; I1074-P1595 HydrophobicContact CD1-CG 3.96Å; I1074-P1595 HydrophobicContact CG2-CG 4.29Å
1075S23.3Very low24.3Very low75 Ų75126.2 Ų126.252%0.52474%0.739SS.*  trans-57.7158.3-17543.90000117.2
1076G24.9Very low24.1Very low74 Ų74133.1 Ų133.176%0.76376%0.761SS**  trans-168.44.9177.400000119.3
1077S26.2Very low24Very low95 Ų95129.1 Ų129.166%0.66474%0.744SS**  trans39105163.81750000120.8
1078N23.8Very low23.8Very low150 Ų150127 Ų12780%0.80275%0.745SS**  trans61.1154.3134.6-49.7-38.2000119
1079V27.5Very low23.6Very low140 Ų140126.5 Ų126.585%0.84875%0.749SS**  cis-131.4151.116.3171.90000109.8
1080A21.4Very low23.4Very low94 Ų94122 Ų12278%0.77773%0.726SS**  trans-104.2132.4170.700000111.4
1081A22.4Very low23.6Very low91 Ų91122.8 Ų122.875%0.75273%0.725SS**  trans168.892.9144.800000112.2
1082T24.3Very low23.5Very low152 Ų152120.9 Ų120.993%0.93372%0.719SS**  trans-164.8157.5137.92.10000112.3
1083I21.8Very low23.6Very low165 Ų165120 Ų12085%0.84670%0.702SS**  trans-82.9161.5-174.8-68.1151.8000110.7
1084S22.7Very low23.7Very low91 Ų91114.9 Ų114.964%0.63667%0.674SS**  trans92.9144.2166.1-134.80000118.9
1085D22.4Very low23.6Very low129 Ų129113.2 Ų113.269%0.6967%0.666SS**  trans53.888.9157.1-57.4-56.3000121.2
1086Y22.1Very low23.6Very low230 Ų230115.3 Ų115.390%0.90267%0.672SS**  trans-136.684147.9-93.2-83.1000112
1087T21.3Very low23.6Very low100 Ų100114.3 Ų114.361%0.61365%0.648SS**  trans-126.276.9160.547.90000111.2R1467T1087-R1467 PolarHBondContact OG1-NH1 2.82Å
1088A21.9Very low23.6Very low80 Ų80112.9 Ų112.966%0.66164%0.636SS**  trans-152.5163.6168.900000110.5
1089V22.6Very low23.6Very low120 Ų120111.8 Ų111.873%0.72763%0.63SS**SBendtrans79.4111.7171.7-172.40000116.9K1624V1089-K1624 PolarHBondContact O-NZ 2.69Å
1090L22.1Very low23.4Very low78 Ų78111.5 Ų111.541%0.40863%0.629SS.*  trans70.989.6168.5-62.6164.1000117.6K1624L1090-K1624 HydrophobicContact CB-CD 4.48Å; L1090-K1624 PolarHBondContact O-NZ 2.85Å
1091H25.3Very low23.6Very low132 Ų132114.6 Ų114.661%0.61163%0.625SS**  -133.8144.8129.5-89-98.1000108.3
1092Q23.2Very low23.6Very low151 Ų151118 Ų11871%0.70663%0.63SS**  trans-149131.6174.1-99.1-174.8-45.400107.7
1093H25.7Very low23.7Very low96 Ų96121.6 Ų121.644%0.44463%0.629SS.*  trans47.2119169.9-65.3-70000119.1
1094Q26.8Very low23.7Very low62 Ų62119.8 Ų119.829%0.2963%0.63SS.*  trans-155.782.6146.4-170.4157.332.700111.7
1095D24.5Very low23.6Very low73 Ų73118.8 Ų118.839%0.3963%0.634SS.*  trans-97.4166.7173.1-59.7-56.2000111.7H1118D1095-H1118 PolarHBondContact N-NE2 3.43Å
1096N23.6Very low23.7Very low119 Ų119121 Ų12164%0.63665%0.645SS**  trans56.298.8178.8-65.9-21.1000116.4R1144N1096-R1144 PolarHBondContact O-NH1 3.08Å; N1096-R1144 PolarHBondContact O-NH2 3.48Å
1097L24.7Very low23.8Very low53 Ų53113.8 Ų113.828%0.27762%0.622SS.*  -163101.4128.5-113.6-170.2000107.4R1144 R1636L1097-R1144 VanDerWaalsContact CD1-NH2 3.29Å; L1097-R1636 PolarHBondContact O-NH1 2.88Å; L1097-R1636 PolarHBondContact O-NH2 2.89Å
1098T24.7Very low23.8Very low65 Ų65113.1 Ų113.140%0.39962%0.622SS.*  trans-76-170.9156.334.80000109.6E1250T1098-E1250 WeakPolarHBondContact CG2-OE2 3.49Å
1099D24.4Very low24Very low127 Ų127112.3 Ų112.368%0.67962%0.621SS**  trans6791.9169-56.3-9.6000117.8
1100T23.4Very low24.1Very low134 Ų134110.8 Ų110.882%0.82261%0.609SS**  -150.880.1129.8-15.40000110.5
1101F26.5Very low24.2Very low158 Ų158113.5 Ų113.569%0.69362%0.624SS**  trans-140.5125.4164.4-102.5-71.6000111.1Y1103 A1640F1101-Y1103 PolarHBondContact O-N 3.5Å; F1101-Y1103 VanDerWaalsContact O-N 3.1Å; F1101-A1640 HydrophobicContact CE2-CB 3.54Å; F1101-A1640 VanDerWaalsContact CZ-CA 3.46Å; F1101-A1640 HydrophobicContact CZ-CB 3.53Å; F1101-A1640 WeakPolarHBondContact CZ-O 3.34Å
1102D21.5Very low24.1Very low163 Ų163112.4 Ų112.487%0.87262%0.623SS**  trans-73.398.7179.5-73.7-56.2000111.3
1103Y26.4Very low24.2Very low228 Ų228111.7 Ų111.789%0.89462%0.622SS**  trans-142.9138.6143.1-109.3-78.4000110.4F1101 G1105F1101-Y1103 PolarHBondContact O-N 3.5Å; F1101-Y1103 VanDerWaalsContact O-N 3.1Å; Y1103-G1105 PolarHBondContact O-N 2.95Å; Y1103-G1105 VanDerWaalsContact O-N 3.15Å
1104S21.2Very low24Very low126 Ų126112.5 Ų112.588%0.88163%0.634SS**  trans-79.895.9-173.455.30000112
1105G22Very low23.9Very low70 Ų70115.7 Ų115.772%0.72265%0.649SS**  trans-156.8150.7174.200000111.3Y1103Y1103-G1105 PolarHBondContact O-N 2.95Å; Y1103-G1105 VanDerWaalsContact O-N 3.15Å
1106L23.4Very low24Very low176 Ų176116.9 Ų116.992%0.92166%0.658SS**  trans-97.8114.1-174.3-76.4157.2000111.5
1107N24.2Very low24.6Very low79 Ų79116 Ų11642%0.42265%0.654SS.*  trans-158.388153.3-107.5-37.4000111.4R607 G1109 E1296R607-N1107 PolarHBondContact NH1-OD1 3.15Å; N1107-G1109 PolarHBondContact O-N 2.97Å; N1107-E1296 PolarHBondContact ND2-OE2 3.45Å
1108S23Very low26.1Very low85 Ų85115.7 Ų115.759%0.59465%0.651SS**  trans-9880.1173.2-166.60000110.1N1110S1108-N1110 PolarHBondContact O-N 3.38Å; S1108-N1110 VanDerWaalsContact O-N 3.12Å
1109G24.4Very low28.4Very low63 Ų63115.9 Ų115.965%0.64965%0.649SS**  trans-81.575.8-176.900000113.5N1107 N1111N1107-G1109 PolarHBondContact O-N 2.97Å; G1109-N1111 PolarHBondContact O-N 3.42Å; G1109-N1111 VanDerWaalsContact O-N 3.08Å
1110N25.1Very low31.1Very low89 Ų89110.4 Ų110.448%0.47662%0.621SS.*  trans-66.5107.1171.2-75.6-19.6000111P608 S1108P608-N1110 HydrophobicContact CG-CB 3.75Å; S1108-N1110 PolarHBondContact O-N 3.38Å; S1108-N1110 VanDerWaalsContact O-N 3.12Å
1111N25.1Very low34.2Very low135 Ų135104.2 Ų104.272%0.72258%0.583SS**  trans-77.9126.2156-83.4-53.2000109.3G1109G1109-N1111 PolarHBondContact O-N 3.42Å; G1109-N1111 VanDerWaalsContact O-N 3.08Å
1112N23.5Very low37.3Very low109 Ų10996.9 Ų96.958%0.58355%0.551SS**  trans-81.3151.8-178.4-95.8-44.7000112.2
1113I23.6Very low40.7Very low136 Ų13692.5 Ų92.570%0.69752%0.522SS*.  trans68.8123.8157.5-64.7156.3000115
1114T22.8Very low43.8Very low112 Ų11281.7 Ų81.769%0.68748%0.479SS*.  cis-163.2134.1-5.122.90000108.9
1115H24.5Very low47Very low130 Ų13077 Ų7760%0.60244%0.443SS*.SBendtrans-168.7106.6144.5-109.5-76000112.6H1118H1115-H1118 PolarHBondContact O-CE1 2.83Å
1116T26.4Very low50Low97 Ų9778.2 Ų78.260%0.59543%0.425SS*.  trans42.6119.4164.6520000119.7H1118T1116-H1118 PolarHBondContact O-CE1 3.1Å; T1116-H1118 PolarHBondContact O-N 2.94Å; T1116-H1118 PolarHBondContact O-ND1 2.84Å
1117D35.2Very low52.4Low102 Ų10271 Ų7155%0.54539%0.39SS..  trans-43.5105.9162.6-75.5-10.9000111.2R735 L1119R735-D1117 IonicContact CZ-OD2 2.82Å; R735-D1117 IonicContact NH2-OD2 3.24Å; R735-D1117 PolarHBondContact NH2-OD2 3.17Å; D1117-L1119 PolarHBondContact O-N 2.9Å
1118H58.1Low54.2Low45 Ų4568.9 Ų68.921%0.20838%0.381CS..  trans-72131.2-173.4-69.6-2.9000111.3D1095 H1115 T1116 S1120D1095-H1118 PolarHBondContact N-NE2 3.43Å; H1115-H1118 PolarHBondContact O-CE1 2.83Å; T1116-H1118 PolarHBondContact O-CE1 3.1Å; T1116-H1118 PolarHBondContact O-N 2.94Å; T1116-H1118 PolarHBondContact O-ND1 2.84Å; H1118-S1120 PolarHBondContact O-N 2.78Å
1119L71.2Confident55.8Low70 Ų7070.5 Ų70.537%0.36638%0.383SS..  trans-58.4126.3164.5-92.565.2000108.8D1117 I1140 I1620D1117-L1119 PolarHBondContact O-N 2.9Å; L1119-I1140 HydrophobicContact CD2-CG2 3.72Å; L1119-I1140 HydrophobicContact CG-CG2 4.08Å; L1119-I1620 HydrophobicContact CD2-CD1 4.17Å; L1119-I1620 HydrophobicContact CD2-CG2 4.34Å
1120S82.2Confident56.9Low11 Ų1174 Ų748%0.07739%0.387CS..EExtended strand (participates in β ladder)trans-105.3155.5168.959.90000110.3H1118 L1141H1118-S1120 PolarHBondContact O-N 2.78Å; S1120-L1141 PolarHBondContact N-O 3.45Å; S1120-L1141 PolarHBondContact O-N 3.43Å
1121V88.3Confident58.1Low5 Ų572.1 Ų72.13%0.0339%0.388CS..EExtended strand (participates in β ladder)trans-128.1123.7179-177.90000108.5L1138 I1139 I1140 P1622 I1625 Y1626V1121-L1138 HydrophobicContact CG1-CB 3.93Å; V1121-L1138 HydrophobicContact CG1-CD2 4.2Å; V1121-I1139 WeakPolarHBondContact CA-O 3.3Å; V1121-I1140 HydrophobicContact CG2-CG1 4.3Å; V1121-P1622 HydrophobicContact CG1-CB 4.06Å; V1121-P1622 HydrophobicContact CG2-CB 4.05Å; V1121-I1625 HydrophobicContact CB-CG2 4.31Å; V1121-I1625 HydrophobicContact CG2-CB 3.97Å; V1121-I1625 HydrophobicContact CG2-CG2 3.77Å; V1121-Y1626 HydrophobicContact CG1-CD2 4.46Å
1122I91.4Very high59.2Low4 Ų474.2 Ų74.22%0.02139%0.391CS..EExtended strand (participates in β ladder)trans-107.6147.7173.260.3170.7000110V1124 L1138 I1139 L1141 L1194 Y1204I1122-V1124 HydrophobicContact CD1-CG2 3.8Å; I1122-V1124 HydrophobicContact CG1-CG2 4.07Å; I1122-L1138 WeakPolarHBondContact O-CA 3.47Å; I1122-I1139 HydrophobicContact CG1-CB 4.02Å; I1122-I1139 PolarHBondContact N-O 2.92Å; I1122-I1139 PolarHBondContact O-N 3.49Å; I1122-L1141 HydrophobicContact CD1-CD1 4.2Å; I1122-L1141 HydrophobicContact CD1-CD2 4.18Å; I1122-L1141 HydrophobicContact CD1-CG 4.49Å; I1122-L1141 HydrophobicContact CG1-CD1 4.21Å; I1122-L1141 HydrophobicContact CG1-CD2 4.32Å; I1122-L1141 HydrophobicContact CG1-CG 4.26Å; I1122-L1141 HydrophobicContact CG2-CD1 3.87Å; I1122-L1194 HydrophobicContact CD1-CB 4.49Å; I1122-L1194 HydrophobicContact CD1-CD1 4.14Å; I1122-L1194 HydrophobicContact CG2-CB 4.25Å; I1122-Y1204 HydrophobicContact CB-CD2 4.49Å; I1122-Y1204 HydrophobicContact CD1-CD2 4.35Å; I1122-Y1204 HydrophobicContact CG2-CE2 4.4Å
1123R92Very high60.7Low71 Ų7173.9 Ų73.927%0.26839%0.39SS..EExtended strand (participates in β ladder)trans-93.6134.2165.7-168.2175.9-63.3-175.35.5108.7W1125 K1137 L1138 Y1626R1123-W1125 HydrophobicContact CB-CH2 3.68Å; R1123-W1125 HydrophobicContact CB-CZ2 4.45Å; R1123-W1125 HydrophobicContact CB-CZ3 3.75Å; R1123-W1125 VanDerWaalsContact CD-CH2 3.44Å; R1123-W1125 HydrophobicContact CG-CE3 4.25Å; R1123-W1125 HydrophobicContact CG-CH2 3.58Å; R1123-W1125 HydrophobicContact CG-CZ2 3.88Å; R1123-W1125 HydrophobicContact CG-CZ3 3.81Å; R1123-W1125 WeakPolarHBondContact O-CZ3 3.38Å; R1123-K1137 WeakPolarHBondContact CA-O 3.45Å; R1123-L1138 HydrophobicContact CB-CD2 3.81Å; R1123-L1138 HydrophobicContact CG-CD2 4.06Å; R1123-Y1626 HydrophobicContact CB-CD2 4.27Å; R1123-Y1626 HydrophobicContact CB-CE1 4.47Å; R1123-Y1626 HydrophobicContact CB-CE2 3.53Å
1124V92.1Very high62.8Low0 Ų070.3 Ų70.30%037%0.37CS..EExtended strand (participates in β ladder)trans-126.7136.7177.3-179.60000108.9I1122 S1136 K1137 I1139 F1159 L1171 Y1204 L1206I1122-V1124 HydrophobicContact CD1-CG2 3.8Å; I1122-V1124 HydrophobicContact CG1-CG2 4.07Å; V1124-S1136 CarbonylContact O-C 3.47Å; V1124-S1136 WeakPolarHBondContact O-CA 3.27Å; V1124-S1136 VanDerWaalsContact O-CB 3.29Å; V1124-S1136 WeakPolarHBondContact O-CB 3.14Å; V1124-K1137 PolarHBondContact N-O 3.4Å; V1124-K1137 PolarHBondContact O-N 3.41Å; V1124-I1139 HydrophobicContact CB-CG1 4.29Å; V1124-I1139 HydrophobicContact CG2-CG1 4Å; V1124-F1159 HydrophobicContact CB-CE2 4.36Å; V1124-F1159 HydrophobicContact CG1-CE2 4.17Å; V1124-F1159 WeakPolarHBondContact O-CZ 3.48Å; V1124-L1171 HydrophobicContact CG1-CD2 3.7Å; V1124-L1171 HydrophobicContact CG2-CD2 4.19Å; V1124-Y1204 WeakPolarHBondContact CA-O 3.32Å; V1124-L1206 HydrophobicContact CG1-CB 4.07Å
1125W89.4Confident65.5Low29 Ų2967.6 Ų67.611%0.1136%0.355CS..EExtended strand (participates in β ladder)trans-102.6145.8179.1-70.8-104.3000110.1R1123 S1135 R1203 Y1204 Y1205 L1206R1123-W1125 HydrophobicContact CB-CH2 3.68Å; R1123-W1125 HydrophobicContact CB-CZ2 4.45Å; R1123-W1125 HydrophobicContact CB-CZ3 3.75Å; R1123-W1125 VanDerWaalsContact CD-CH2 3.44Å; R1123-W1125 HydrophobicContact CG-CE3 4.25Å; R1123-W1125 HydrophobicContact CG-CH2 3.58Å; R1123-W1125 HydrophobicContact CG-CZ2 3.88Å; R1123-W1125 HydrophobicContact CG-CZ3 3.81Å; R1123-W1125 WeakPolarHBondContact O-CZ3 3.38Å; W1125-S1135 WeakPolarHBondContact CA-O 3.46Å; W1125-R1203 HydrophobicContact CE3-CB 4.11Å; W1125-R1203 HydrophobicContact CH2-CG 4.4Å; W1125-R1203 HydrophobicContact CZ3-CB 4.09Å; W1125-R1203 HydrophobicContact CZ3-CG 4.41Å; W1125-Y1204 PolarHBondContact N-O 3.23Å; W1125-Y1205 HydrophobicContact CB-CD1 3.7Å; W1125-Y1205 HydrophobicContact CB-CD2 4.45Å; W1125-Y1205 HydrophobicContact CB-CE1 3.55Å; W1125-Y1205 HydrophobicContact CB-CE2 4.3Å; W1125-Y1205 HydrophobicContact CB-CG 4.16Å; W1125-Y1205 HydrophobicContact CG-CE1 4.32Å; W1125-Y1205 CarbonylContact O-C 3.57Å; W1125-Y1205 VanDerWaalsContact O-CA 3.31Å; W1125-Y1205 WeakPolarHBondContact O-CA 3.25Å; W1125-L1206 PolarHBondContact O-N 2.92Å
1126R83.9Confident68.6Low95 Ų9563.7 Ų63.736%0.35834%0.342SS..EExtended strand (participates in β ladder)trans-92.2132.8176.1-178.9171.2177.9159.20.7110.5S1128 S1135 F1159R1126-S1128 PolarHBondContact O-N 3.01Å; R1126-S1135 PolarHBondContact N-O 3.08Å; R1126-F1159 HydrophobicContact CB-CD1 4.25Å; R1126-F1159 HydrophobicContact CB-CE1 3.79Å; R1126-F1159 HydrophobicContact CB-CZ 4.05Å
1127S74Confident71.6Confident24 Ų2462.6 Ų62.617%0.16833%0.329CS..PPolyproline II helixtrans-67.9120.8162.3-166.80000108.9L1206 L1215S1127-L1206 PolarHBondContact N-O 2.85Å; S1127-L1206 VanDerWaalsContact N-O 3.13Å; S1127-L1215 WeakPolarHBondContact OG-CD2 3.38Å
1128S62.9Low74.3Confident35 Ų3559.7 Ų59.725%0.24531%0.314CS..  trans-116.1132.8176.6-178.60000109.6R1126 N1130 G1131R1126-S1128 PolarHBondContact O-N 3.01Å; S1128-N1130 PolarHBondContact O-N 2.8Å; S1128-G1131 PolarHBondContact O-N 3.02Å
1129D55.2Low75.9Confident119 Ų11957.8 Ų57.864%0.63631%0.305SS*.THydrogen-bonded Turntrans-703.5-166.7-44.5-68.2000114.5N1211D1129-N1211 PolarHBondContact OD1-ND2 2.8Å
1130N48.4Very low76.8Confident135 Ų13557.8 Ų57.872%0.72231%0.305SS*.THydrogen-bonded Turntrans-119.66.6174.9-79.1-61.2000114S1128 K1132S1128-N1130 PolarHBondContact O-N 2.8Å; N1130-K1132 PolarHBondContact O-N 2.67Å
1131G49.2Very low77.1Confident50 Ų5057.3 Ų57.352%0.51530%0.301SS..SBendtrans64.76170.300000117.5S1128S1128-G1131 PolarHBondContact O-N 3.02Å
1132K49.5Very low76.7Confident180 Ų18060.6 Ų60.678%0.78332%0.323SS*.  trans-110.5-33.4-178.2-70.1-178.8177.8-179.30114.2N1130 H1134N1130-K1132 PolarHBondContact O-N 2.67Å; K1132-H1134 PolarHBondContact O-N 3.48Å; K1132-H1134 VanDerWaalsContact O-N 3.07Å
1133D53.8Low76.2Confident102 Ų10260.9 Ų60.955%0.54533%0.325SS..  trans-88.275.6-173.6-57.8-37.5000111.7S1135D1133-S1135 PolarHBondContact O-N 3.16Å
1134H68.3Low75.3Confident60 Ų6060.7 Ų60.728%0.27832%0.324SS..  trans-71.149175.2-80.2-67.2000113.6K1132 S1136K1132-H1134 PolarHBondContact O-N 3.48Å; K1132-H1134 VanDerWaalsContact O-N 3.07Å; H1134-S1136 PolarHBondContact O-N 3.06Å
1135S80.4Confident74.7Confident55 Ų5564.4 Ų64.439%0.38534%0.342SS..  trans-58.9135.317363.80000111W1125 R1126 D1133W1125-S1135 WeakPolarHBondContact CA-O 3.46Å; R1126-S1135 PolarHBondContact N-O 3.08Å; D1133-S1135 PolarHBondContact O-N 3.16Å
1136S88.3Confident74.5Confident48 Ų4863.2 Ų63.234%0.33634%0.338SS..EExtended strand (participates in β ladder)trans-139.2153.5178.560.70000111.2V1124 H1134V1124-S1136 CarbonylContact O-C 3.47Å; V1124-S1136 WeakPolarHBondContact O-CA 3.27Å; V1124-S1136 VanDerWaalsContact O-CB 3.29Å; V1124-S1136 WeakPolarHBondContact O-CB 3.14Å; H1134-S1136 PolarHBondContact O-N 3.06Å
1137K89.7Confident74.7Confident74 Ų7460.7 Ų60.732%0.32233%0.331SS..EExtended strand (participates in β ladder)trans-133.4156.3177.4-71-159.5168.2-160.30111R1123 V1124 I1139 E1158 F1159R1123-K1137 WeakPolarHBondContact CA-O 3.45Å; V1124-K1137 PolarHBondContact N-O 3.4Å; V1124-K1137 PolarHBondContact O-N 3.41Å; K1137-I1139 HydrophobicContact CB-CD1 4.33Å; K1137-E1158 HydrophobicContact CB-CG 4.32Å; K1137-E1158 HydrophobicContact CD-CG 3.69Å; K1137-E1158 WeakPolarHBondContact CD-O 3.45Å; K1137-E1158 WeakPolarHBondContact CD-OE1 3.49Å; K1137-E1158 WeakPolarHBondContact CE-O 3.49Å; K1137-E1158 PolarHBondContact NZ-O 3.16Å; K1137-E1158 IonicContact NZ-OE1 3.7Å; K1137-E1158 PolarHBondContact NZ-OE1 3.08Å; K1137-F1159 HydrophobicContact CB-CE1 4.29Å; K1137-F1159 HydrophobicContact CB-CE2 4.26Å; K1137-F1159 HydrophobicContact CB-CZ 3.97Å; K1137-F1159 HydrophobicContact CD-CD1 4.24Å; K1137-F1159 HydrophobicContact CD-CE1 4.31Å; K1137-F1159 HydrophobicContact CG-CD1 4.26Å; K1137-F1159 HydrophobicContact CG-CE1 3.82Å; K1137-F1159 HydrophobicContact CG-CZ 4.03Å
1138L92.2Very high75.4Confident42 Ų4259.7 Ų59.722%0.2232%0.324CS..EExtended strand (participates in β ladder)trans-94.7121.6173.1-66.6177.7000108.6V1121 I1122 R1123 K1623 Y1626V1121-L1138 HydrophobicContact CG1-CB 3.93Å; V1121-L1138 HydrophobicContact CG1-CD2 4.2Å; I1122-L1138 WeakPolarHBondContact O-CA 3.47Å; R1123-L1138 HydrophobicContact CB-CD2 3.81Å; R1123-L1138 HydrophobicContact CG-CD2 4.06Å; L1138-K1623 HydrophobicContact CD1-CB 4.02Å; L1138-K1623 HydrophobicContact CD1-CG 4.43Å; L1138-Y1626 HydrophobicContact CD2-CD1 3.93Å; L1138-Y1626 HydrophobicContact CD2-CD2 3.68Å; L1138-Y1626 HydrophobicContact CD2-CE1 4.46Å; L1138-Y1626 HydrophobicContact CD2-CE2 4.23Å; L1138-Y1626 HydrophobicContact CD2-CG 3.51Å
1139I91.4Very high76.7Confident5 Ų561.5 Ų61.53%0.02633%0.326CS..EExtended strand (participates in β ladder)trans-106.3122.7-178.5-48.1-58.8000107.9V1121 I1122 V1124 K1137 L1141 L1154 E1158V1121-I1139 WeakPolarHBondContact CA-O 3.3Å; I1122-I1139 HydrophobicContact CG1-CB 4.02Å; I1122-I1139 PolarHBondContact N-O 2.92Å; I1122-I1139 PolarHBondContact O-N 3.49Å; V1124-I1139 HydrophobicContact CB-CG1 4.29Å; V1124-I1139 HydrophobicContact CG2-CG1 4Å; K1137-I1139 HydrophobicContact CB-CD1 4.33Å; I1139-L1141 HydrophobicContact CG2-CD2 4.34Å; I1139-L1154 HydrophobicContact CG2-CB 3.69Å; I1139-E1158 HydrophobicContact CD1-CB 3.72Å; I1139-E1158 HydrophobicContact CD1-CG 3.71Å
1140I89.9Confident78.2Confident70 Ų7059 Ų5936%0.35931%0.311SS..EExtended strand (participates in β ladder)trans-81121173.3-58.1176000107.9L1119 V1121 P1622L1119-I1140 HydrophobicContact CD2-CG2 3.72Å; L1119-I1140 HydrophobicContact CG-CG2 4.08Å; V1121-I1140 HydrophobicContact CG2-CG1 4.3Å; I1140-P1622 HydrophobicContact CD1-CB 4.03Å; I1140-P1622 HydrophobicContact CD1-CG 4.25Å; I1140-P1622 HydrophobicContact CG1-CB 3.86Å
1141L88Confident80.2Confident0 Ų052.5 Ų52.50%028%0.276CS..EExtended strand (participates in β ladder)trans-92.1125.4172.1-57.7-178.4000108.5S1120 I1122 I1139 S1143 T1146 A1151 L1154 L1194S1120-L1141 PolarHBondContact N-O 3.45Å; S1120-L1141 PolarHBondContact O-N 3.43Å; I1122-L1141 HydrophobicContact CD1-CD1 4.2Å; I1122-L1141 HydrophobicContact CD1-CD2 4.18Å; I1122-L1141 HydrophobicContact CD1-CG 4.49Å; I1122-L1141 HydrophobicContact CG1-CD1 4.21Å; I1122-L1141 HydrophobicContact CG1-CD2 4.32Å; I1122-L1141 HydrophobicContact CG1-CG 4.26Å; I1122-L1141 HydrophobicContact CG2-CD1 3.87Å; I1139-L1141 HydrophobicContact CG2-CD2 4.34Å; L1141-S1143 PolarHBondContact O-N 2.77Å; L1141-S1143 VanDerWaalsContact O-N 3.1Å; L1141-T1146 HydrophobicContact CD2-CG2 4.02Å; L1141-A1151 HydrophobicContact CD2-CB 3.89Å; L1141-L1154 HydrophobicContact CD2-CD1 4.33Å; L1141-L1194 HydrophobicContact CD1-CB 4.16Å; L1141-L1194 HydrophobicContact CD1-CD1 4.19Å
1142P80Confident82.2Confident75 Ų7550.4 Ų50.449%0.48725%0.253SS..SBendtrans-59.6-21-178.7-27.635.4000115
1143S80.7Confident84.1Confident9 Ų944.9 Ų44.96%0.06323%0.227CC..SBendtrans-156.6164.7172.166.90000110L1141 Q1145 T1146L1141-S1143 PolarHBondContact O-N 2.77Å; L1141-S1143 VanDerWaalsContact O-N 3.1Å; S1143-Q1145 PolarHBondContact O-N 3.29Å; S1143-Q1145 PolarHBondContact OG-N 3.26Å; S1143-T1146 PolarHBondContact N-OG1 3.39Å; S1143-T1146 WeakPolarHBondContact O-CB 3.45Å; S1143-T1146 PolarHBondContact O-N 3.39Å; S1143-T1146 PolarHBondContact O-OG1 2.85Å; S1143-T1146 VanDerWaalsContact O-OG1 3.14Å; S1143-T1146 PolarHBondContact OG-N 3.06Å; S1143-T1146 PolarHBondContact OG-OG1 3.24Å
1144R73.6Confident85.9Confident68 Ų6841.4 Ų41.426%0.25721%0.209SC..THydrogen-bonded Turntrans-60.9-24.4170.3-164.5-179.5-113.1141.6-5113.3N1096 L1097 T1146 D1193N1096-R1144 PolarHBondContact O-NH1 3.08Å; N1096-R1144 PolarHBondContact O-NH2 3.48Å; L1097-R1144 VanDerWaalsContact CD1-NH2 3.29Å; R1144-T1146 VanDerWaalsContact C-N 3.3Å; R1144-T1146 PolarHBondContact O-N 2.92Å; R1144-D1193 HydrophobicContact CG-CB 3.96Å; R1144-D1193 WeakPolarHBondContact CG-OD1 3.49Å; R1144-D1193 IonicContact NE-OD1 3.82Å; R1144-D1193 IonicContact NE-OD2 3.43Å; R1144-D1193 VanDerWaalsContact O-CA 3.28Å; R1144-D1193 WeakPolarHBondContact O-CA 3.42Å; R1144-D1193 PolarHBondContact O-N 3.02Å
1145Q79.9Confident86.9Confident77 Ų7738.6 Ų38.636%0.3620%0.196SC..THydrogen-bonded Turntrans-79.9-4.6178.9-63.1167.8-11.800113.7S1143 N1147S1143-Q1145 PolarHBondContact O-N 3.29Å; S1143-Q1145 PolarHBondContact OG-N 3.26Å; Q1145-N1147 PolarHBondContact O-N 2.93Å; Q1145-N1147 VanDerWaalsContact O-N 3.09Å
1146T84.9Confident87.3Confident4 Ų436 Ų363%0.02518%0.177CC..  trans-62.1114-178.7-650000111.1L1141 S1143 R1144 E1150 L1154L1141-T1146 HydrophobicContact CD2-CG2 4.02Å; S1143-T1146 PolarHBondContact N-OG1 3.39Å; S1143-T1146 WeakPolarHBondContact O-CB 3.45Å; S1143-T1146 PolarHBondContact O-N 3.39Å; S1143-T1146 PolarHBondContact O-OG1 2.85Å; S1143-T1146 VanDerWaalsContact O-OG1 3.14Å; S1143-T1146 PolarHBondContact OG-N 3.06Å; S1143-T1146 PolarHBondContact OG-OG1 3.24Å; R1144-T1146 VanDerWaalsContact C-N 3.3Å; R1144-T1146 PolarHBondContact O-N 2.92Å; T1146-E1150 HydrophobicContact CG2-CB 4.07Å; T1146-E1150 HydrophobicContact CG2-CG 3.96Å; T1146-L1154 HydrophobicContact CG2-CD1 4.43Å
1147N89.1Confident87.2Confident43 Ų4337.5 Ų37.523%0.2318%0.179CC..  trans-72.8162.4-174.966.152.9000113.6Q1145 Y1149 E1150 A1151 L1191Q1145-N1147 PolarHBondContact O-N 2.93Å; Q1145-N1147 VanDerWaalsContact O-N 3.09Å; N1147-Y1149 PolarHBondContact O-N 3.5Å; N1147-Y1149 PolarHBondContact OD1-N 2.92Å; N1147-E1150 PolarHBondContact O-N 3.04Å; N1147-E1150 PolarHBondContact OD1-N 3.38Å; N1147-A1151 WeakPolarHBondContact O-CB 3.36Å; N1147-A1151 PolarHBondContact O-N 2.95Å; N1147-L1191 CarbonylContact C-O 3.27Å; N1147-L1191 VanDerWaalsContact CA-O 3.25Å; N1147-L1191 WeakPolarHBondContact CA-O 3.49Å
1148A88.6Confident87.1Confident2 Ų238.2 Ų38.22%0.01718%0.184CC..Hα-helixtrans-57.7-30-178.300000114.5T1152 L1187 S1188 L1191 L1194A1148-T1152 WeakPolarHBondContact O-CB 3.3Å; A1148-T1152 PolarHBondContact O-N 2.83Å; A1148-T1152 PolarHBondContact O-OG1 3.41Å; A1148-L1187 HydrophobicContact CB-CB 3.98Å; A1148-L1187 HydrophobicContact CB-CD2 3.88Å; A1148-S1188 VanDerWaalsContact CB-O 3.31Å; A1148-S1188 WeakPolarHBondContact CB-O 3.45Å; A1148-L1191 HydrophobicContact CB-CB 4.38Å; A1148-L1191 PolarHBondContact N-O 2.95Å; A1148-L1194 HydrophobicContact CB-CD2 4.27Å
1149Y88.8Confident86.9Confident74 Ų7437 Ų3729%0.2918%0.176SC..Hα-helixtrans-71.5-44.1176.7-178.4-107.2000112.2N1147 T1152 R1153 Q1166 H1167 N1189N1147-Y1149 PolarHBondContact O-N 3.5Å; N1147-Y1149 PolarHBondContact OD1-N 2.92Å; Y1149-T1152 WeakPolarHBondContact O-CB 3.31Å; Y1149-T1152 PolarHBondContact O-N 2.99Å; Y1149-R1153 PolarHBondContact O-N 3.36Å; Y1149-R1153 VanDerWaalsContact O-N 3.07Å; Y1149-Q1166 HydrophobicContact CE2-CG 4.17Å; Y1149-Q1166 PolarHBondContact OH-NE2 3.39Å; Y1149-H1167 PolarHBondContact OH-CE1 3.11Å; Y1149-N1189 PolarHBondContact N-O 3.46Å
1150E87.6Confident86.6Confident65 Ų6541.9 Ų41.930%0.30421%0.211SC..Hα-helixtrans-70.1-38.6173.7179.3158.4-125.500112T1146 N1147 T1152 R1153 L1154T1146-E1150 HydrophobicContact CG2-CB 4.07Å; T1146-E1150 HydrophobicContact CG2-CG 3.96Å; N1147-E1150 PolarHBondContact O-N 3.04Å; N1147-E1150 PolarHBondContact OD1-N 3.38Å; E1150-T1152 VanDerWaalsContact C-N 3.27Å; E1150-T1152 PolarHBondContact O-N 2.66Å; E1150-R1153 WeakPolarHBondContact O-CA 3.21Å; E1150-R1153 VanDerWaalsContact O-CB 3.27Å; E1150-R1153 WeakPolarHBondContact O-CB 3.37Å; E1150-R1153 PolarHBondContact O-N 3.45Å; E1150-R1153 VanDerWaalsContact O-N 3.09Å; E1150-R1153 IonicContact OE1-CZ 3.87Å; E1150-R1153 IonicContact OE1-NE 3.66Å; E1150-R1153 IonicContact OE1-NH2 3.42Å; E1150-R1153 PolarHBondContact OE1-NH2 3.37Å; E1150-L1154 HydrophobicContact CG-CD1 4.28Å; E1150-L1154 HydrophobicContact CG-CG 4.49Å; E1150-L1154 WeakPolarHBondContact O-CG 3.32Å; E1150-L1154 PolarHBondContact O-N 3.45Å
1151A91Very high86.2Confident0 Ų039.2 Ų39.20%020%0.198CC..Hα-helixtrans-59.5-39.6171.400000111.5L1141 N1147 R1153 L1154 C1155 L1171 L1194L1141-A1151 HydrophobicContact CD2-CB 3.89Å; N1147-A1151 WeakPolarHBondContact O-CB 3.36Å; N1147-A1151 PolarHBondContact O-N 2.95Å; A1151-R1153 VanDerWaalsContact C-N 3.35Å; A1151-R1153 PolarHBondContact O-N 2.95Å; A1151-L1154 PolarHBondContact O-N 2.78Å; A1151-C1155 WeakPolarHBondContact O-CB 3.21Å; A1151-C1155 PolarHBondContact O-N 2.95Å; A1151-C1155 PolarHBondContact O-SG 3.34Å; A1151-L1171 HydrophobicContact CB-CD1 3.89Å; A1151-L1194 HydrophobicContact CB-CD1 3.27Å
1152T91Very high85.8Confident5 Ų542.7 Ų42.73%0.03122%0.22CC..Hα-helixtrans-61.1-41.1173.1-58.90000111.4A1148 Y1149 E1150 C1155 M1156 L1206A1148-T1152 WeakPolarHBondContact O-CB 3.3Å; A1148-T1152 PolarHBondContact O-N 2.83Å; A1148-T1152 PolarHBondContact O-OG1 3.41Å; Y1149-T1152 WeakPolarHBondContact O-CB 3.31Å; Y1149-T1152 PolarHBondContact O-N 2.99Å; E1150-T1152 VanDerWaalsContact C-N 3.27Å; E1150-T1152 PolarHBondContact O-N 2.66Å; T1152-C1155 WeakPolarHBondContact O-CB 3.32Å; T1152-C1155 PolarHBondContact O-N 3.44Å; T1152-M1156 HydrophobicContact CG2-SD 4.39Å; T1152-M1156 WeakPolarHBondContact O-CG 3.31Å; T1152-M1156 PolarHBondContact O-N 3.24Å; T1152-L1206 HydrophobicContact CG2-CD1 3.95Å
1153R89.4Confident85.6Confident65 Ų6543 Ų4325%0.24522%0.218CC..Hα-helixtrans-57.3-51.4173.6-169.9-177.356.673.2-0.5111.6Y1149 E1150 A1151 C1155 M1156 E1157 L1163Y1149-R1153 PolarHBondContact O-N 3.36Å; Y1149-R1153 VanDerWaalsContact O-N 3.07Å; E1150-R1153 WeakPolarHBondContact O-CA 3.21Å; E1150-R1153 VanDerWaalsContact O-CB 3.27Å; E1150-R1153 WeakPolarHBondContact O-CB 3.37Å; E1150-R1153 PolarHBondContact O-N 3.45Å; E1150-R1153 VanDerWaalsContact O-N 3.09Å; E1150-R1153 IonicContact OE1-CZ 3.87Å; E1150-R1153 IonicContact OE1-NE 3.66Å; E1150-R1153 IonicContact OE1-NH2 3.42Å; E1150-R1153 PolarHBondContact OE1-NH2 3.37Å; A1151-R1153 VanDerWaalsContact C-N 3.35Å; A1151-R1153 PolarHBondContact O-N 2.95Å; R1153-C1155 VanDerWaalsContact C-N 3.3Å; R1153-C1155 PolarHBondContact O-N 3.21Å; R1153-M1156 PolarHBondContact O-N 3.37Å; R1153-M1156 VanDerWaalsContact O-N 3.14Å; R1153-E1157 IonicContact CZ-OE1 3.96Å; R1153-E1157 IonicContact NH1-OE1 3.9Å; R1153-E1157 PolarHBondContact NH1-OE1 3.47Å; R1153-E1157 IonicContact NH1-OE2 2.81Å; R1153-E1157 PolarHBondContact NH1-OE2 3.16Å; R1153-E1157 PolarHBondContact O-N 3.24Å; R1153-L1163 HydrophobicContact CG-CD2 3.56Å
1154L90.6Very high85.3Confident29 Ų2950.3 Ų50.315%0.15225%0.248CC..Hα-helixtrans-62.6-37179-64.7169000111.6I1139 L1141 T1146 E1150 A1151 E1158I1139-L1154 HydrophobicContact CG2-CB 3.69Å; L1141-L1154 HydrophobicContact CD2-CD1 4.33Å; T1146-L1154 HydrophobicContact CG2-CD1 4.43Å; E1150-L1154 HydrophobicContact CG-CD1 4.28Å; E1150-L1154 HydrophobicContact CG-CG 4.49Å; E1150-L1154 WeakPolarHBondContact O-CG 3.32Å; E1150-L1154 PolarHBondContact O-N 3.45Å; A1151-L1154 PolarHBondContact O-N 2.78Å; L1154-E1158 VanDerWaalsContact O-CB 3.26Å; L1154-E1158 WeakPolarHBondContact O-CB 3.37Å; L1154-E1158 PolarHBondContact O-N 2.75Å
1155C90.4Very high85.3Confident0 Ų050.2 Ų50.20%025%0.252CS..Hα-helixtrans-61.9-45172.3-66.10000111.9A1151 T1152 R1153 E1158 F1159 L1206A1151-C1155 WeakPolarHBondContact O-CB 3.21Å; A1151-C1155 PolarHBondContact O-N 2.95Å; A1151-C1155 PolarHBondContact O-SG 3.34Å; T1152-C1155 WeakPolarHBondContact O-CB 3.32Å; T1152-C1155 PolarHBondContact O-N 3.44Å; R1153-C1155 VanDerWaalsContact C-N 3.3Å; R1153-C1155 PolarHBondContact O-N 3.21Å; C1155-E1158 PolarHBondContact O-N 2.97Å; C1155-F1159 WeakPolarHBondContact O-CB 3.3Å; C1155-F1159 VanDerWaalsContact O-CD2 3.29Å; C1155-F1159 WeakPolarHBondContact O-CD2 3.37Å; C1155-F1159 PolarHBondContact O-N 3.45Å; C1155-L1206 HydrophobicContact CB-CD1 4.23Å; C1155-L1206 HydrophobicContact CB-CD2 4.08Å
1156M88.9Confident85Confident0 Ų047.9 Ų47.90%024%0.242CC..Hα-helixtrans-67-44.1-179.1-71.9177.971.600112.2T1152 R1153 E1158 F1159 S1160 I1161 P1162 D1165 Q1166 Y1169 L1206T1152-M1156 HydrophobicContact CG2-SD 4.39Å; T1152-M1156 WeakPolarHBondContact O-CG 3.31Å; T1152-M1156 PolarHBondContact O-N 3.24Å; R1153-M1156 PolarHBondContact O-N 3.37Å; R1153-M1156 VanDerWaalsContact O-N 3.14Å; M1156-E1158 VanDerWaalsContact C-N 3.34Å; M1156-E1158 PolarHBondContact O-N 3.02Å; M1156-F1159 PolarHBondContact O-N 2.85Å; M1156-S1160 PolarHBondContact O-N 2.81Å; M1156-S1160 VanDerWaalsContact O-N 3.08Å; M1156-I1161 HydrophobicContact CB-CB 4.2Å; M1156-I1161 HydrophobicContact CE-CB 4.29Å; M1156-I1161 HydrophobicContact CE-CG2 3.66Å; M1156-I1161 HydrophobicContact CG-CB 4.37Å; M1156-I1161 PolarHBondContact O-N 3.08Å; M1156-P1162 VanDerWaalsContact CE-O 3.25Å; M1156-P1162 WeakPolarHBondContact CE-O 3.43Å; M1156-D1165 HydrophobicContact CE-CB 4.26Å; M1156-Q1166 HydrophobicContact SD-CB 4.23Å; M1156-Q1166 HydrophobicContact SD-CG 4.34Å; M1156-Y1169 HydrophobicContact CE-CD2 3.66Å; M1156-Y1169 HydrophobicContact CE-CE2 4.27Å; M1156-Y1169 HydrophobicContact CE-CG 4.31Å; M1156-Y1169 HydrophobicContact SD-CD2 4.18Å; M1156-Y1169 HydrophobicContact SD-CG 4.26Å; M1156-L1206 HydrophobicContact CG-CD2 4.28Å
1157E86.7Confident84.7Confident80 Ų8054.9 Ų54.937%0.37427%0.274SS..Hα-helixtrans-55.3-50173.2-74.7166.8-169.700110.8R1153 S1160 L1163R1153-E1157 IonicContact CZ-OE1 3.96Å; R1153-E1157 IonicContact NH1-OE1 3.9Å; R1153-E1157 PolarHBondContact NH1-OE1 3.47Å; R1153-E1157 IonicContact NH1-OE2 2.81Å; R1153-E1157 PolarHBondContact NH1-OE2 3.16Å; R1153-E1157 PolarHBondContact O-N 3.24Å; E1157-S1160 PolarHBondContact O-N 3.32Å; E1157-S1160 VanDerWaalsContact O-N 3.16Å; E1157-L1163 HydrophobicContact CG-CD1 3.96Å; E1157-L1163 HydrophobicContact CG-CD2 3.97Å; E1157-L1163 HydrophobicContact CG-CG 4.08Å; E1157-L1163 WeakPolarHBondContact OE1-CD2 3.37Å
1158E86.7Confident84.4Confident90 Ų9054.6 Ų54.642%0.42128%0.275SS..Hα-helixtrans-73.5-31.8-176.8-171.746.5-128.800112.8K1137 I1139 L1154 C1155 M1156 S1160K1137-E1158 HydrophobicContact CB-CG 4.32Å; K1137-E1158 HydrophobicContact CD-CG 3.69Å; K1137-E1158 WeakPolarHBondContact CD-O 3.45Å; K1137-E1158 WeakPolarHBondContact CD-OE1 3.49Å; K1137-E1158 WeakPolarHBondContact CE-O 3.49Å; K1137-E1158 PolarHBondContact NZ-O 3.16Å; K1137-E1158 IonicContact NZ-OE1 3.7Å; K1137-E1158 PolarHBondContact NZ-OE1 3.08Å; I1139-E1158 HydrophobicContact CD1-CB 3.72Å; I1139-E1158 HydrophobicContact CD1-CG 3.71Å; L1154-E1158 VanDerWaalsContact O-CB 3.26Å; L1154-E1158 WeakPolarHBondContact O-CB 3.37Å; L1154-E1158 PolarHBondContact O-N 2.75Å; C1155-E1158 PolarHBondContact O-N 2.97Å; M1156-E1158 VanDerWaalsContact C-N 3.34Å; M1156-E1158 PolarHBondContact O-N 3.02Å; E1158-S1160 PolarHBondContact O-N 3.43Å
1159F87.1Confident84.2Confident15 Ų1557.4 Ų57.47%0.06629%0.286CS..THydrogen-bonded Turntrans-80.74.7170.3-81.5-71.6000114.1V1124 R1126 K1137 C1155 M1156 I1161 L1206V1124-F1159 HydrophobicContact CB-CE2 4.36Å; V1124-F1159 HydrophobicContact CG1-CE2 4.17Å; V1124-F1159 WeakPolarHBondContact O-CZ 3.48Å; R1126-F1159 HydrophobicContact CB-CD1 4.25Å; R1126-F1159 HydrophobicContact CB-CE1 3.79Å; R1126-F1159 HydrophobicContact CB-CZ 4.05Å; K1137-F1159 HydrophobicContact CB-CE1 4.29Å; K1137-F1159 HydrophobicContact CB-CE2 4.26Å; K1137-F1159 HydrophobicContact CB-CZ 3.97Å; K1137-F1159 HydrophobicContact CD-CD1 4.24Å; K1137-F1159 HydrophobicContact CD-CE1 4.31Å; K1137-F1159 HydrophobicContact CG-CD1 4.26Å; K1137-F1159 HydrophobicContact CG-CE1 3.82Å; K1137-F1159 HydrophobicContact CG-CZ 4.03Å; C1155-F1159 WeakPolarHBondContact O-CB 3.3Å; C1155-F1159 VanDerWaalsContact O-CD2 3.29Å; C1155-F1159 WeakPolarHBondContact O-CD2 3.37Å; C1155-F1159 PolarHBondContact O-N 3.45Å; M1156-F1159 PolarHBondContact O-N 2.85Å; F1159-I1161 VanDerWaalsContact C-N 3.28Å; F1159-I1161 HydrophobicContact CB-CD1 4.03Å; F1159-I1161 HydrophobicContact CB-CG1 4.02Å; F1159-I1161 PolarHBondContact O-N 3.47Å; F1159-L1206 HydrophobicContact CD2-CD2 4Å
1160S85.1Confident84.1Confident109 Ų10954 Ų5476%0.76227%0.272SS*.THydrogen-bonded Turntrans58.334-178.4-51.40000114.1M1156 E1157 E1158M1156-S1160 PolarHBondContact O-N 2.81Å; M1156-S1160 VanDerWaalsContact O-N 3.08Å; E1157-S1160 PolarHBondContact O-N 3.32Å; E1157-S1160 VanDerWaalsContact O-N 3.16Å; E1158-S1160 PolarHBondContact O-N 3.43Å
1161I82.1Confident84.3Confident14 Ų1451 Ų517%0.07226%0.259CS..  trans-92.3137.1176.3-55.5178.3000108.7M1156 F1159 L1163 Y1169 L1206M1156-I1161 HydrophobicContact CB-CB 4.2Å; M1156-I1161 HydrophobicContact CE-CB 4.29Å; M1156-I1161 HydrophobicContact CE-CG2 3.66Å; M1156-I1161 HydrophobicContact CG-CB 4.37Å; M1156-I1161 PolarHBondContact O-N 3.08Å; F1159-I1161 VanDerWaalsContact C-N 3.28Å; F1159-I1161 HydrophobicContact CB-CD1 4.03Å; F1159-I1161 HydrophobicContact CB-CG1 4.02Å; F1159-I1161 PolarHBondContact O-N 3.47Å; I1161-L1163 PolarHBondContact O-N 2.92Å; I1161-Y1169 HydrophobicContact CD1-CE1 4.2Å; I1161-Y1169 HydrophobicContact CG2-CD2 4.26Å; I1161-Y1169 HydrophobicContact CG2-CE2 3.68Å; I1161-L1206 HydrophobicContact CD1-CD2 3.76Å
1162P80.6Confident84.2Confident72 Ų7252.9 Ų52.947%0.46827%0.266SS..  trans-61.7126.3-176.5-22.633.7000113.5M1156 K1164 D1165M1156-P1162 VanDerWaalsContact CE-O 3.25Å; M1156-P1162 WeakPolarHBondContact CE-O 3.43Å; P1162-K1164 PolarHBondContact O-N 3.07Å; P1162-D1165 PolarHBondContact O-N 2.97Å
1163L75.9Confident84.2Confident83 Ų8354.4 Ų54.444%0.43527%0.273SS..G310 helixtrans-55.3-16.3174.2-80.5162.3000114.9R1153 E1157 I1161 D1165 Q1166R1153-L1163 HydrophobicContact CG-CD2 3.56Å; E1157-L1163 HydrophobicContact CG-CD1 3.96Å; E1157-L1163 HydrophobicContact CG-CD2 3.97Å; E1157-L1163 HydrophobicContact CG-CG 4.08Å; E1157-L1163 WeakPolarHBondContact OE1-CD2 3.37Å; I1161-L1163 PolarHBondContact O-N 2.92Å; L1163-D1165 PolarHBondContact O-N 3.3Å; L1163-Q1166 WeakPolarHBondContact O-CB 3.44Å; L1163-Q1166 PolarHBondContact O-N 3.37Å
1164K73.5Confident84.2Confident162 Ų16251.4 Ų51.470%0.70426%0.261SS*.G310 helixtrans-62.1-31.6174.6-56.9-176-177.1-174.90112.1P1162 Q1166P1162-K1164 PolarHBondContact O-N 3.07Å; K1164-Q1166 VanDerWaalsContact C-N 3.3Å; K1164-Q1166 PolarHBondContact O-N 2.96Å
1165D73.4Confident84.2Confident65 Ų6551 Ų5135%0.34826%0.26SS..G310 helixtrans-95.518.3-173.2-47.8-44.4000111.1M1156 P1162 L1163 H1167 S1168 Y1169M1156-D1165 HydrophobicContact CE-CB 4.26Å; P1162-D1165 PolarHBondContact O-N 2.97Å; L1163-D1165 PolarHBondContact O-N 3.3Å; D1165-H1167 PolarHBondContact O-N 3.17Å; D1165-H1167 VanDerWaalsContact O-N 3.16Å; D1165-S1168 WeakPolarHBondContact O-CA 3.4Å; D1165-S1168 VanDerWaalsContact O-CB 3.25Å; D1165-S1168 WeakPolarHBondContact O-CB 3.39Å; D1165-S1168 PolarHBondContact O-N 2.96Å; D1165-S1168 PolarHBondContact O-OG 3.03Å; D1165-Y1169 HydrophobicContact CB-CD2 4.35Å; D1165-Y1169 HydrophobicContact CB-CE2 4.24Å
1166Q74.5Confident84.1Confident28 Ų2851.1 Ų51.113%0.13126%0.261CS..THydrogen-bonded Turntrans-61.1-26.3-173.4-175.4177.6-8.800113.6Y1149 M1156 L1163 K1164 S1168Y1149-Q1166 HydrophobicContact CE2-CG 4.17Å; Y1149-Q1166 PolarHBondContact OH-NE2 3.39Å; M1156-Q1166 HydrophobicContact SD-CB 4.23Å; M1156-Q1166 HydrophobicContact SD-CG 4.34Å; L1163-Q1166 WeakPolarHBondContact O-CB 3.44Å; L1163-Q1166 PolarHBondContact O-N 3.37Å; K1164-Q1166 VanDerWaalsContact C-N 3.3Å; K1164-Q1166 PolarHBondContact O-N 2.96Å; Q1166-S1168 VanDerWaalsContact C-N 3.33Å
1167H77.5Confident83.8Confident152 Ų15254.6 Ų54.670%0.70428%0.277SS*.THydrogen-bonded Turntrans-79.9-15.2173-63.3-64.4000113.6Y1149 D1165Y1149-H1167 PolarHBondContact OH-CE1 3.11Å; D1165-H1167 PolarHBondContact O-N 3.17Å; D1165-H1167 VanDerWaalsContact O-N 3.16Å
1168S82.2Confident83.1Confident37 Ų3755.8 Ų55.826%0.25930%0.295SS..THydrogen-bonded Turntrans-90.1-8.9-178.2-450000113.3D1165 Q1166 S1208 L1209D1165-S1168 WeakPolarHBondContact O-CA 3.4Å; D1165-S1168 VanDerWaalsContact O-CB 3.25Å; D1165-S1168 WeakPolarHBondContact O-CB 3.39Å; D1165-S1168 PolarHBondContact O-N 2.96Å; D1165-S1168 PolarHBondContact O-OG 3.03Å; Q1166-S1168 VanDerWaalsContact C-N 3.33Å; S1168-S1208 CarbonylContact O-C 3.53Å; S1168-S1208 VanDerWaalsContact O-CA 3.3Å; S1168-S1208 WeakPolarHBondContact O-CA 3.32Å; S1168-L1209 VanDerWaalsContact C-CD1 3.47Å; S1168-L1209 WeakPolarHBondContact O-CD1 3.45Å; S1168-L1209 PolarHBondContact O-N 3.49Å
1169Y85.4Confident82.4Confident60 Ų6053.7 Ų53.724%0.23530%0.297CS..EExtended strand (participates in β ladder)trans-120.9150.5179.2-74.7-90.1000112M1156 I1161 D1165 L1206 K1207M1156-Y1169 HydrophobicContact CE-CD2 3.66Å; M1156-Y1169 HydrophobicContact CE-CE2 4.27Å; M1156-Y1169 HydrophobicContact CE-CG 4.31Å; M1156-Y1169 HydrophobicContact SD-CD2 4.18Å; M1156-Y1169 HydrophobicContact SD-CG 4.26Å; I1161-Y1169 HydrophobicContact CD1-CE1 4.2Å; I1161-Y1169 HydrophobicContact CG2-CD2 4.26Å; I1161-Y1169 HydrophobicContact CG2-CE2 3.68Å; D1165-Y1169 HydrophobicContact CB-CD2 4.35Å; D1165-Y1169 HydrophobicContact CB-CE2 4.24Å; Y1169-L1206 HydrophobicContact CD1-CD1 4.43Å; Y1169-L1206 HydrophobicContact CD1-CG 4.16Å; Y1169-K1207 WeakPolarHBondContact CA-O 3.39Å; Y1169-K1207 WeakPolarHBondContact CD1-O 3.31Å
1170C86.9Confident81.4Confident2 Ų259.5 Ų59.51%0.01434%0.336CS..EExtended strand (participates in β ladder)trans-151.1159.9168.658.50000112.2Y1172 K1207 L1209C1170-Y1172 WeakPolarHBondContact SG-CE2 3.38Å; C1170-K1207 PolarHBondContact N-O 3.18Å; C1170-K1207 PolarHBondContact O-N 3.03Å; C1170-K1207 VanDerWaalsContact O-N 3.11Å; C1170-L1209 HydrophobicContact CB-CD1 4.27Å
1171L90.6Very high80.5Confident2 Ų259.3 Ų59.31%0.0133%0.326CS..EExtended strand (participates in β ladder)trans-76.4137.1169.9-72.8167.1000110.9V1124 A1151 L1187 Y1205V1124-L1171 HydrophobicContact CG1-CD2 3.7Å; V1124-L1171 HydrophobicContact CG2-CD2 4.19Å; A1151-L1171 HydrophobicContact CB-CD1 3.89Å; L1171-L1187 HydrophobicContact CB-CB 4.5Å; L1171-L1187 HydrophobicContact CB-CD1 4.06Å; L1171-L1187 HydrophobicContact CB-CD2 4.26Å; L1171-L1187 WeakPolarHBondContact O-CD1 3.43Å; L1171-L1187 PolarHBondContact O-N 3Å; L1171-Y1205 CarbonylContact C-O 3.53Å; L1171-Y1205 WeakPolarHBondContact CA-O 3.27Å
1172Y90.6Very high80.3Confident41 Ų4161.6 Ų61.616%0.16134%0.34CS..EExtended strand (participates in β ladder)trans-113.8138.7168.7-79.5-98.8000110C1170 Q1184 S1185 R1186 L1187 Y1204 Y1205 K1207 L1215C1170-Y1172 WeakPolarHBondContact SG-CE2 3.38Å; Y1172-Q1184 HydrophobicContact CD1-CG 3.61Å; Y1172-Q1184 HydrophobicContact CE1-CG 4.25Å; Y1172-Q1184 HydrophobicContact CG-CG 4.46Å; Y1172-S1185 CarbonylContact C-O 3.58Å; Y1172-S1185 WeakPolarHBondContact CA-O 3.46Å; Y1172-S1185 VanDerWaalsContact CD1-O 3.28Å; Y1172-S1185 WeakPolarHBondContact CD1-O 3.49Å; Y1172-R1186 HydrophobicContact CD1-CB 4.07Å; Y1172-R1186 HydrophobicContact CE1-CB 3.69Å; Y1172-L1187 VanDerWaalsContact C-CD1 3.46Å; Y1172-Y1204 CarbonylContact O-C 3.55Å; Y1172-Y1204 WeakPolarHBondContact O-CA 3.38Å; Y1172-Y1205 PolarHBondContact N-O 3.1Å; Y1172-Y1205 PolarHBondContact O-N 3.04Å; Y1172-K1207 HydrophobicContact CD2-CB 3.66Å; Y1172-K1207 HydrophobicContact CD2-CD 4.46Å; Y1172-K1207 HydrophobicContact CE2-CB 3.78Å; Y1172-K1207 HydrophobicContact CE2-CD 4.21Å; Y1172-L1215 HydrophobicContact CG-CD1 4.22Å
1173H90.9Very high80.4Confident37 Ų3763.2 Ų63.217%0.17134%0.34CS..EExtended strand (participates in β ladder)trans-97.3122.6168.8-177.7-112.3000107.7T1175 S1185 L1187 S1202 Y1204H1173-T1175 PolarHBondContact CE1-OG1 2.74Å; H1173-T1175 PolarHBondContact ND1-OG1 3.06Å; H1173-S1185 PolarHBondContact N-O 3.15Å; H1173-S1185 PolarHBondContact O-N 2.72Å; H1173-S1185 PolarHBondContact O-OG 2.85Å; H1173-L1187 HydrophobicContact CB-CD1 3.71Å; H1173-S1202 WeakPolarHBondContact NE2-CB 3.49Å; H1173-S1202 PolarHBondContact NE2-OG 2.69Å; H1173-Y1204 HydrophobicContact CB-CD1 4.27Å; H1173-Y1204 HydrophobicContact CB-CE1 4.14Å; H1173-Y1204 AromaticContact CD2-CE1 3.59Å
1174V89.3Confident80.9Confident1 Ų163 Ų631%0.00634%0.337CS..EExtended strand (participates in β ladder)trans-118.3119.3179-168.70000108.6V1182 K1183 Q1184 S1202 R1203 Y1205 L1215 I1216V1174-V1182 HydrophobicContact CG1-CG1 3.35Å; V1174-K1183 WeakPolarHBondContact CA-O 3.33Å; V1174-Q1184 HydrophobicContact CG2-CB 4.39Å; V1174-Q1184 HydrophobicContact CG2-CG 4.25Å; V1174-S1202 CarbonylContact O-C 3.47Å; V1174-S1202 WeakPolarHBondContact O-CA 3.48Å; V1174-R1203 PolarHBondContact N-O 2.85Å; V1174-R1203 PolarHBondContact O-N 3.4Å; V1174-Y1205 HydrophobicContact CB-CD2 4.28Å; V1174-Y1205 HydrophobicContact CB-CE2 4.46Å; V1174-Y1205 HydrophobicContact CG2-CD2 3.74Å; V1174-Y1205 HydrophobicContact CG2-CE2 4.31Å; V1174-Y1205 HydrophobicContact CG2-CG 4.46Å; V1174-L1215 HydrophobicContact CG2-CB 4.31Å; V1174-L1215 HydrophobicContact CG2-CD1 3.56Å; V1174-I1216 HydrophobicContact CB-CD1 3.98Å; V1174-I1216 HydrophobicContact CG1-CD1 3.45Å; V1174-I1216 VanDerWaalsContact CG1-CD1 3.45Å; V1174-I1216 HydrophobicContact CG1-CG1 4.09Å
1175T89.8Confident81.5Confident21 Ų2158.1 Ų58.113%0.12932%0.323CS..EExtended strand (participates in β ladder)trans-112.9132.5179-59.40000109.8H1173 K1183 N1201 S1202H1173-T1175 PolarHBondContact CE1-OG1 2.74Å; H1173-T1175 PolarHBondContact ND1-OG1 3.06Å; T1175-K1183 PolarHBondContact N-O 3.06Å; T1175-K1183 PolarHBondContact O-N 3.26Å; T1175-N1201 WeakPolarHBondContact CG2-ND2 3.48Å; T1175-S1202 WeakPolarHBondContact OG1-CB 3.38Å
1176V88.3Confident82.1Confident3 Ų361 Ų612%0.01833%0.329CS..EExtended strand (participates in β ladder)trans-105.2125179.3-1640000109.5V1182 N1201 I1216 A1221 I1224 L1225V1176-V1182 HydrophobicContact CG1-CG2 4.5Å; V1176-N1201 PolarHBondContact N-O 3.1Å; V1176-N1201 WeakPolarHBondContact O-CB 3.42Å; V1176-N1201 PolarHBondContact O-ND2 3.35Å; V1176-I1216 HydrophobicContact CG2-CD1 4.35Å; V1176-A1221 HydrophobicContact CG1-CB 3.92Å; V1176-I1224 HydrophobicContact CB-CG2 4.32Å; V1176-I1224 HydrophobicContact CG2-CB 4.19Å; V1176-I1224 HydrophobicContact CG2-CD1 4.23Å; V1176-I1224 HydrophobicContact CG2-CG2 3.88Å; V1176-L1225 HydrophobicContact CB-CD2 4.4Å; V1176-L1225 HydrophobicContact CB-CG 4.16Å; V1176-L1225 HydrophobicContact CG1-CD1 3.72Å; V1176-L1225 HydrophobicContact CG1-CD2 4.15Å; V1176-L1225 HydrophobicContact CG1-CG 3.61Å
1177E83.4Confident82.8Confident73 Ų7360.1 Ų60.134%0.34133%0.325SS..  trans-109.5165.5178.3-70177.7170.100111G1179 K1183E1177-G1179 PolarHBondContact O-N 3.49Å; E1177-K1183 WeakPolarHBondContact OE1-CD 3.48Å; E1177-K1183 IonicContact OE1-NZ 2.67Å; E1177-K1183 PolarHBondContact OE1-NZ 2.81Å; E1177-K1183 WeakPolarHBondContact OE2-CE 3.29Å; E1177-K1183 IonicContact OE2-NZ 2.76Å; E1177-K1183 PolarHBondContact OE2-NZ 3.3Å
1178S71.3Confident83.2Confident105 Ų10556.3 Ų56.373%0.73432%0.315SS*.SBendtrans-75.270.7-179.257.20000112.1
1179G72.1Confident83.2Confident46 Ų4657.6 Ų57.647%0.47432%0.319SS..SBendtrans-179.5-174.2179.800000111.3E1177 I1181E1177-G1179 PolarHBondContact O-N 3.49Å; G1179-I1181 PolarHBondContact O-N 3.41Å; G1179-I1181 VanDerWaalsContact O-N 3.13Å
1180P66.6Low83.2Confident136 Ų13659.1 Ų59.188%0.88334%0.335SS*.SBendtrans-78.516178.434.8-37.1000113.4
1181I65.3Low83.1Confident106 Ų10661.5 Ų61.554%0.54435%0.347SS..  trans-113.7111.5-171.2-56.1178.4000109G1179 K1183G1179-I1181 PolarHBondContact O-N 3.41Å; G1179-I1181 VanDerWaalsContact O-N 3.13Å; I1181-K1183 HydrophobicContact CG2-CG 4.43Å
1182V78.2Confident82.9Confident61 Ų6162.6 Ų62.637%0.3735%0.353SS..EExtended strand (participates in β ladder)trans-98.2120.8169.2179.20000108.3V1174 V1176 Q1184V1174-V1182 HydrophobicContact CG1-CG1 3.35Å; V1176-V1182 HydrophobicContact CG1-CG2 4.5Å; V1182-Q1184 PolarHBondContact O-N 2.86Å
1183K82.8Confident82.6Confident107 Ų10762 Ų6247%0.46535%0.352SS..EExtended strand (participates in β ladder)trans-90.3102.9178.9-76.2171.4176.4164.10109.5V1174 T1175 E1177 I1181V1174-K1183 WeakPolarHBondContact CA-O 3.33Å; T1175-K1183 PolarHBondContact N-O 3.06Å; T1175-K1183 PolarHBondContact O-N 3.26Å; E1177-K1183 WeakPolarHBondContact OE1-CD 3.48Å; E1177-K1183 IonicContact OE1-NZ 2.67Å; E1177-K1183 PolarHBondContact OE1-NZ 2.81Å; E1177-K1183 WeakPolarHBondContact OE2-CE 3.29Å; E1177-K1183 IonicContact OE2-NZ 2.76Å; E1177-K1183 PolarHBondContact OE2-NZ 3.3Å; I1181-K1183 HydrophobicContact CG2-CG 4.43Å
1184Q85.5Confident82.4Confident79 Ų7960.2 Ų60.237%0.36934%0.344SS..EExtended strand (participates in β ladder)trans-98.8127.5171.7173.2174.5-15.200110.2Y1172 V1174 V1182 L1215Y1172-Q1184 HydrophobicContact CD1-CG 3.61Å; Y1172-Q1184 HydrophobicContact CE1-CG 4.25Å; Y1172-Q1184 HydrophobicContact CG-CG 4.46Å; V1174-Q1184 HydrophobicContact CG2-CB 4.39Å; V1174-Q1184 HydrophobicContact CG2-CG 4.25Å; V1182-Q1184 PolarHBondContact O-N 2.86Å; Q1184-L1215 VanDerWaalsContact CD-CD1 3.42Å; Q1184-L1215 HydrophobicContact CG-CD1 4.12Å; Q1184-L1215 VanDerWaalsContact NE2-CD1 3.29Å
1185S86.8Confident82.1Confident59 Ų5960.3 Ų60.341%0.41335%0.345SS..EExtended strand (participates in β ladder)trans-130.1146.6172.9680000111Y1172 H1173Y1172-S1185 CarbonylContact C-O 3.58Å; Y1172-S1185 WeakPolarHBondContact CA-O 3.46Å; Y1172-S1185 VanDerWaalsContact CD1-O 3.28Å; Y1172-S1185 WeakPolarHBondContact CD1-O 3.49Å; H1173-S1185 PolarHBondContact N-O 3.15Å; H1173-S1185 PolarHBondContact O-N 2.72Å; H1173-S1185 PolarHBondContact O-OG 2.85Å
1186R86.4Confident81.7Confident125 Ų12560.8 Ų60.847%0.47235%0.354SS..EExtended strand (participates in β ladder)trans-82132.5170.4176178.4166.8-175.5-1.6108.3Y1172Y1172-R1186 HydrophobicContact CD1-CB 4.07Å; Y1172-R1186 HydrophobicContact CE1-CB 3.69Å
1187L88.3Confident81.5Confident9 Ų966.3 Ų66.35%0.04737%0.374CS..PPolyproline II helixtrans-67.3139172.3-79.775.7000110A1148 L1171 Y1172 H1173 L1191 L1194 Y1204A1148-L1187 HydrophobicContact CB-CB 3.98Å; A1148-L1187 HydrophobicContact CB-CD2 3.88Å; L1171-L1187 HydrophobicContact CB-CB 4.5Å; L1171-L1187 HydrophobicContact CB-CD1 4.06Å; L1171-L1187 HydrophobicContact CB-CD2 4.26Å; L1171-L1187 WeakPolarHBondContact O-CD1 3.43Å; L1171-L1187 PolarHBondContact O-N 3Å; Y1172-L1187 VanDerWaalsContact C-CD1 3.46Å; H1173-L1187 HydrophobicContact CB-CD1 3.71Å; L1187-L1191 HydrophobicContact CD2-CD2 4Å; L1187-L1191 HydrophobicContact CG-CD2 4.03Å; L1187-L1194 HydrophobicContact CD2-CD2 3.45Å; L1187-L1194 VanDerWaalsContact CD2-CD2 3.45Å; L1187-Y1204 HydrophobicContact CD1-CD1 4.06Å; L1187-Y1204 HydrophobicContact CD1-CE1 4.05Å; L1187-Y1204 HydrophobicContact CD2-CD1 4.39Å; L1187-Y1204 HydrophobicContact CD2-CE1 3.91Å; L1187-Y1204 HydrophobicContact CG-CE1 4.5Å
1188S85.7Confident81.7Confident73 Ų7363 Ų6351%0.5136%0.359SS..PPolyproline II helixtrans-63.5135.5162.8176.50000109.1A1148 V1190 L1191A1148-S1188 VanDerWaalsContact CB-O 3.31Å; A1148-S1188 WeakPolarHBondContact CB-O 3.45Å; S1188-V1190 PolarHBondContact O-N 3.14Å; S1188-V1190 PolarHBondContact OG-N 2.9Å; S1188-L1191 VanDerWaalsContact O-CB 3.29Å; S1188-L1191 WeakPolarHBondContact O-CB 3.5Å; S1188-L1191 PolarHBondContact O-N 2.98Å
1189N82.9Confident82.5Confident64 Ų6461 Ų6134%0.34234%0.343SS..THydrogen-bonded Turntrans-54.4-23.3176.9-7426000113.3Y1149Y1149-N1189 PolarHBondContact N-O 3.46Å
1190V84.6Confident83.3Confident92 Ų9259 Ų5956%0.55832%0.32SS*.THydrogen-bonded Turntrans-89.9-8.7-178-161.30000112.5S1188 D1192S1188-V1190 PolarHBondContact O-N 3.14Å; S1188-V1190 PolarHBondContact OG-N 2.9Å; V1190-D1192 PolarHBondContact O-N 3.47Å
1191L85.6Confident84.3Confident51 Ų5154.3 Ų54.327%0.26729%0.288SS..  trans-68.8127.6-173.7-163.976.3000111.9N1147 A1148 L1187 S1188N1147-L1191 CarbonylContact C-O 3.27Å; N1147-L1191 VanDerWaalsContact CA-O 3.25Å; N1147-L1191 WeakPolarHBondContact CA-O 3.49Å; A1148-L1191 HydrophobicContact CB-CB 4.38Å; A1148-L1191 PolarHBondContact N-O 2.95Å; L1187-L1191 HydrophobicContact CD2-CD2 4Å; L1187-L1191 HydrophobicContact CG-CD2 4.03Å; S1188-L1191 VanDerWaalsContact O-CB 3.29Å; S1188-L1191 WeakPolarHBondContact O-CB 3.5Å; S1188-L1191 PolarHBondContact O-N 2.98Å
1192D86Confident85.5Confident25 Ų2549.2 Ų49.213%0.13426%0.262CS..  trans-107.5-179.3179.159-0.6000112.3Q676 V1190 L1194 R1197Q676-D1192 PolarHBondContact NE2-OD2 2.87Å; V1190-D1192 PolarHBondContact O-N 3.47Å; D1192-L1194 PolarHBondContact O-N 3.38Å; D1192-R1197 WeakPolarHBondContact O-CD 3.48Å; D1192-R1197 PolarHBondContact O-NE 2.84Å; D1192-R1197 IonicContact OD1-CZ 3.82Å; D1192-R1197 IonicContact OD1-NH2 2.71Å; D1192-R1197 PolarHBondContact OD1-NH2 3.08Å
1193D83.8Confident86Confident29 Ų2946.9 Ų46.916%0.15525%0.247CC..  trans34.461.8-168.4-165.413.5000115.1R1144 S1195 G1196 R1197R1144-D1193 HydrophobicContact CG-CB 3.96Å; R1144-D1193 WeakPolarHBondContact CG-OD1 3.49Å; R1144-D1193 IonicContact NE-OD1 3.82Å; R1144-D1193 IonicContact NE-OD2 3.43Å; R1144-D1193 VanDerWaalsContact O-CA 3.28Å; R1144-D1193 WeakPolarHBondContact O-CA 3.42Å; R1144-D1193 PolarHBondContact O-N 3.02Å; D1193-S1195 PolarHBondContact O-N 3.11Å; D1193-S1195 VanDerWaalsContact O-N 3.07Å; D1193-S1195 PolarHBondContact OD1-N 2.82Å; D1193-S1195 VanDerWaalsContact OD1-N 3.14Å; D1193-S1195 PolarHBondContact OD1-OG 3.03Å; D1193-G1196 VanDerWaalsContact CG-N 3.28Å; D1193-G1196 PolarHBondContact O-N 3.04Å; D1193-G1196 PolarHBondContact OD1-N 3.04Å; D1193-G1196 WeakPolarHBondContact OD2-CA 3.27Å; D1193-G1196 PolarHBondContact OD2-N 3.18Å; D1193-R1197 VanDerWaalsContact O-CG 3.29Å; D1193-R1197 WeakPolarHBondContact O-CG 3.48Å; D1193-R1197 PolarHBondContact O-N 3.31Å
1194L87.4Confident86.5Confident0 Ų041.9 Ų41.90%023%0.225CC..THydrogen-bonded Turntrans-57.4-21.6172.2-54.8176.9000112.3I1122 L1141 A1148 A1151 L1187 D1192 Y1204I1122-L1194 HydrophobicContact CD1-CB 4.49Å; I1122-L1194 HydrophobicContact CD1-CD1 4.14Å; I1122-L1194 HydrophobicContact CG2-CB 4.25Å; L1141-L1194 HydrophobicContact CD1-CB 4.16Å; L1141-L1194 HydrophobicContact CD1-CD1 4.19Å; A1148-L1194 HydrophobicContact CB-CD2 4.27Å; A1151-L1194 HydrophobicContact CB-CD1 3.27Å; L1187-L1194 HydrophobicContact CD2-CD2 3.45Å; L1187-L1194 VanDerWaalsContact CD2-CD2 3.45Å; D1192-L1194 PolarHBondContact O-N 3.38Å; L1194-Y1204 WeakPolarHBondContact CA-OH 3.48Å; L1194-Y1204 HydrophobicContact CB-CE2 4.13Å; L1194-Y1204 WeakPolarHBondContact O-CE2 3.4Å; L1194-Y1204 PolarHBondContact O-OH 2.72Å
1195S84.2Confident86.7Confident3 Ų338.2 Ų38.22%0.02121%0.208CC..THydrogen-bonded Turntrans-81.3-49-179.371.30000113D1193 R1197 L1198 W1629D1193-S1195 PolarHBondContact O-N 3.11Å; D1193-S1195 VanDerWaalsContact O-N 3.07Å; D1193-S1195 PolarHBondContact OD1-N 2.82Å; D1193-S1195 VanDerWaalsContact OD1-N 3.14Å; D1193-S1195 PolarHBondContact OD1-OG 3.03Å; S1195-R1197 VanDerWaalsContact C-N 3.34Å; S1195-R1197 PolarHBondContact O-N 3.43Å; S1195-L1198 PolarHBondContact O-N 3.12Å; S1195-W1629 WeakPolarHBondContact O-CZ2 3.4Å
1196G81.4Confident86.8Confident30 Ų3035.5 Ų35.531%0.30919%0.189SC..THydrogen-bonded Turntrans-68.7-31.4178.600000113D1193 L1198D1193-G1196 VanDerWaalsContact CG-N 3.28Å; D1193-G1196 PolarHBondContact O-N 3.04Å; D1193-G1196 PolarHBondContact OD1-N 3.04Å; D1193-G1196 WeakPolarHBondContact OD2-CA 3.27Å; D1193-G1196 PolarHBondContact OD2-N 3.18Å; G1196-L1198 VanDerWaalsContact C-N 3.29Å; G1196-L1198 PolarHBondContact O-N 3.13Å
1197R83.8Confident86.7Confident120 Ų12029.9 Ų29.945%0.45317%0.167SC..THydrogen-bonded Turntrans-75.1-6.2179.5-63.7179.2-161.6-91.46.5115D1192 D1193 S1195D1192-R1197 WeakPolarHBondContact O-CD 3.48Å; D1192-R1197 PolarHBondContact O-NE 2.84Å; D1192-R1197 IonicContact OD1-CZ 3.82Å; D1192-R1197 IonicContact OD1-NH2 2.71Å; D1192-R1197 PolarHBondContact OD1-NH2 3.08Å; D1193-R1197 VanDerWaalsContact O-CG 3.29Å; D1193-R1197 WeakPolarHBondContact O-CG 3.48Å; D1193-R1197 PolarHBondContact O-N 3.31Å; S1195-R1197 VanDerWaalsContact C-N 3.34Å; S1195-R1197 PolarHBondContact O-N 3.43Å
1198L87.3Confident86.4Confident4 Ų430.7 Ų30.72%0.02117%0.174CC..  trans-94.1112.9-177.5-16176.8000112.1S1195 G1196 S1202 Y1204 W1629 L1633S1195-L1198 PolarHBondContact O-N 3.12Å; G1196-L1198 VanDerWaalsContact C-N 3.29Å; G1196-L1198 PolarHBondContact O-N 3.13Å; L1198-S1202 VanDerWaalsContact CD1-OG 3.25Å; L1198-S1202 WeakPolarHBondContact CD1-OG 3.48Å; L1198-Y1204 HydrophobicContact CB-CE2 4.25Å; L1198-Y1204 HydrophobicContact CD1-CD1 4.33Å; L1198-Y1204 HydrophobicContact CD1-CD2 3.89Å; L1198-Y1204 HydrophobicContact CD1-CE1 4.13Å; L1198-Y1204 HydrophobicContact CD1-CE2 3.69Å; L1198-Y1204 HydrophobicContact CD1-CG 4.19Å; L1198-Y1204 HydrophobicContact CD2-CD2 4.37Å; L1198-Y1204 HydrophobicContact CD2-CE2 4.34Å; L1198-Y1204 HydrophobicContact CG-CE2 4.32Å; L1198-W1629 HydrophobicContact CB-CH2 4.11Å; L1198-W1629 HydrophobicContact CB-CZ2 4.22Å; L1198-W1629 HydrophobicContact CD2-CH2 3.9Å; L1198-W1629 HydrophobicContact CG-CH2 4.43Å; L1198-L1633 WeakPolarHBondContact O-CD2 3.46Å
1199T88.7Confident86.1Confident63 Ų6329.9 Ų29.939%0.38716%0.163SC..  trans-85.1159.6172.162.50000112.1N1201 S1202T1199-N1201 WeakPolarHBondContact CB-OD1 3.33Å; T1199-N1201 PolarHBondContact O-N 2.79Å; T1199-N1201 VanDerWaalsContact O-N 3.16Å; T1199-N1201 PolarHBondContact OG1-OD1 3.43Å; T1199-S1202 PolarHBondContact N-OG 2.83Å; T1199-S1202 PolarHBondContact O-N 2.83Å; T1199-S1202 PolarHBondContact O-OG 2.81Å; T1199-S1202 WeakPolarHBondContact OG1-CB 3.2Å; T1199-S1202 PolarHBondContact OG1-OG 2.91Å
1200L87.1Confident85.6Confident2 Ų234.2 Ų34.21%0.0118%0.181CC..THydrogen-bonded Turntrans-58.8-29.2179.9-66.7-178.4000114.7S1202 R1203 V1230 L1630 L1633 R1634 T1637L1200-S1202 VanDerWaalsContact C-N 3.31Å; L1200-R1203 VanDerWaalsContact O-CZ 3.29Å; L1200-R1203 PolarHBondContact O-NH1 2.93Å; L1200-R1203 PolarHBondContact O-NH2 3.43Å; L1200-V1230 HydrophobicContact CD1-CG2 3.36Å; L1200-L1630 HydrophobicContact CD2-CD1 3.71Å; L1200-L1633 HydrophobicContact CD2-CB 4.37Å; L1200-L1633 HydrophobicContact CD2-CD2 3.67Å; L1200-L1633 HydrophobicContact CD2-CG 3.78Å; L1200-L1633 HydrophobicContact CG-CD2 4.21Å; L1200-L1633 HydrophobicContact CG-CG 4.08Å; L1200-R1634 HydrophobicContact CD1-CG 3.91Å; L1200-R1634 HydrophobicContact CD2-CG 3.77Å; L1200-T1637 HydrophobicContact CD1-CG2 3.81Å; L1200-T1637 HydrophobicContact CG-CG2 4.38Å
1201N89.1Confident84.8Confident38 Ų3831.3 Ų31.320%0.20316%0.163CC..THydrogen-bonded Turntrans-88.19.7176.268.8-38.9000113.7T1175 V1176 T1199 I1224T1175-N1201 WeakPolarHBondContact CG2-ND2 3.48Å; V1176-N1201 PolarHBondContact N-O 3.1Å; V1176-N1201 WeakPolarHBondContact O-CB 3.42Å; V1176-N1201 PolarHBondContact O-ND2 3.35Å; T1199-N1201 WeakPolarHBondContact CB-OD1 3.33Å; T1199-N1201 PolarHBondContact O-N 2.79Å; T1199-N1201 VanDerWaalsContact O-N 3.16Å; T1199-N1201 PolarHBondContact OG1-OD1 3.43Å; N1201-I1224 WeakPolarHBondContact O-CG2 3.38Å
1202S89.6Confident83.8Confident0 Ų036.9 Ų36.90%019%0.187CC..EExtended strand (participates in β ladder)trans-126150.1-178.275.20000114.1H1173 V1174 T1175 L1198 T1199 L1200H1173-S1202 WeakPolarHBondContact NE2-CB 3.49Å; H1173-S1202 PolarHBondContact NE2-OG 2.69Å; V1174-S1202 CarbonylContact O-C 3.47Å; V1174-S1202 WeakPolarHBondContact O-CA 3.48Å; T1175-S1202 WeakPolarHBondContact OG1-CB 3.38Å; L1198-S1202 VanDerWaalsContact CD1-OG 3.25Å; L1198-S1202 WeakPolarHBondContact CD1-OG 3.48Å; T1199-S1202 PolarHBondContact N-OG 2.83Å; T1199-S1202 PolarHBondContact O-N 2.83Å; T1199-S1202 PolarHBondContact O-OG 2.81Å; T1199-S1202 WeakPolarHBondContact OG1-CB 3.2Å; T1199-S1202 PolarHBondContact OG1-OG 2.91Å; L1200-S1202 VanDerWaalsContact C-N 3.31Å
1203R89.9Confident82.8Confident12 Ų1239.8 Ų39.85%0.04520%0.202CC..EExtended strand (participates in β ladder)trans-143.3142.6-170.9-61.2-72.1175.7-86.4-1.2110.3W1125 V1174 L1200 Y1205 I1224 E1227W1125-R1203 HydrophobicContact CE3-CB 4.11Å; W1125-R1203 HydrophobicContact CH2-CG 4.4Å; W1125-R1203 HydrophobicContact CZ3-CB 4.09Å; W1125-R1203 HydrophobicContact CZ3-CG 4.41Å; V1174-R1203 PolarHBondContact N-O 2.85Å; V1174-R1203 PolarHBondContact O-N 3.4Å; L1200-R1203 VanDerWaalsContact O-CZ 3.29Å; L1200-R1203 PolarHBondContact O-NH1 2.93Å; L1200-R1203 PolarHBondContact O-NH2 3.43Å; R1203-Y1205 HydrophobicContact CB-CD2 4.32Å; R1203-Y1205 HydrophobicContact CB-CE2 3.76Å; R1203-I1224 HydrophobicContact CG-CD1 3.8Å; R1203-I1224 HydrophobicContact CG-CG1 4.18Å; R1203-I1224 HydrophobicContact CG-CG2 4.45Å; R1203-E1227 IonicContact CZ-OE2 3.51Å; R1203-E1227 IonicContact NH2-OE2 3.33Å; R1203-E1227 PolarHBondContact NH2-OE2 3.34Å
1204Y92.5Very high82Confident2 Ų243.7 Ų43.71%0.00823%0.229CC..EExtended strand (participates in β ladder)trans-94.3126176.7-70.5-51.4000112.2I1122 V1124 W1125 Y1172 H1173 L1187 L1194 L1198I1122-Y1204 HydrophobicContact CB-CD2 4.49Å; I1122-Y1204 HydrophobicContact CD1-CD2 4.35Å; I1122-Y1204 HydrophobicContact CG2-CE2 4.4Å; V1124-Y1204 WeakPolarHBondContact CA-O 3.32Å; W1125-Y1204 PolarHBondContact N-O 3.23Å; Y1172-Y1204 CarbonylContact O-C 3.55Å; Y1172-Y1204 WeakPolarHBondContact O-CA 3.38Å; H1173-Y1204 HydrophobicContact CB-CD1 4.27Å; H1173-Y1204 HydrophobicContact CB-CE1 4.14Å; H1173-Y1204 AromaticContact CD2-CE1 3.59Å; L1187-Y1204 HydrophobicContact CD1-CD1 4.06Å; L1187-Y1204 HydrophobicContact CD1-CE1 4.05Å; L1187-Y1204 HydrophobicContact CD2-CD1 4.39Å; L1187-Y1204 HydrophobicContact CD2-CE1 3.91Å; L1187-Y1204 HydrophobicContact CG-CE1 4.5Å; L1194-Y1204 WeakPolarHBondContact CA-OH 3.48Å; L1194-Y1204 HydrophobicContact CB-CE2 4.13Å; L1194-Y1204 WeakPolarHBondContact O-CE2 3.4Å; L1194-Y1204 PolarHBondContact O-OH 2.72Å; L1198-Y1204 HydrophobicContact CB-CE2 4.25Å; L1198-Y1204 HydrophobicContact CD1-CD1 4.33Å; L1198-Y1204 HydrophobicContact CD1-CD2 3.89Å; L1198-Y1204 HydrophobicContact CD1-CE1 4.13Å; L1198-Y1204 HydrophobicContact CD1-CE2 3.69Å; L1198-Y1204 HydrophobicContact CD1-CG 4.19Å; L1198-Y1204 HydrophobicContact CD2-CD2 4.37Å; L1198-Y1204 HydrophobicContact CD2-CE2 4.34Å; L1198-Y1204 HydrophobicContact CG-CE2 4.32Å
1205Y90.1Very high81.4Confident2 Ų244.1 Ų44.11%0.00823%0.232CC..EExtended strand (participates in β ladder)trans-115.1133.7178.6-78.8-100.2000111.6W1125 L1171 Y1172 V1174 R1203 L1215 I1216W1125-Y1205 HydrophobicContact CB-CD1 3.7Å; W1125-Y1205 HydrophobicContact CB-CD2 4.45Å; W1125-Y1205 HydrophobicContact CB-CE1 3.55Å; W1125-Y1205 HydrophobicContact CB-CE2 4.3Å; W1125-Y1205 HydrophobicContact CB-CG 4.16Å; W1125-Y1205 HydrophobicContact CG-CE1 4.32Å; W1125-Y1205 CarbonylContact O-C 3.57Å; W1125-Y1205 VanDerWaalsContact O-CA 3.31Å; W1125-Y1205 WeakPolarHBondContact O-CA 3.25Å; L1171-Y1205 CarbonylContact C-O 3.53Å; L1171-Y1205 WeakPolarHBondContact CA-O 3.27Å; Y1172-Y1205 PolarHBondContact N-O 3.1Å; Y1172-Y1205 PolarHBondContact O-N 3.04Å; V1174-Y1205 HydrophobicContact CB-CD2 4.28Å; V1174-Y1205 HydrophobicContact CB-CE2 4.46Å; V1174-Y1205 HydrophobicContact CG2-CD2 3.74Å; V1174-Y1205 HydrophobicContact CG2-CE2 4.31Å; V1174-Y1205 HydrophobicContact CG2-CG 4.46Å; R1203-Y1205 HydrophobicContact CB-CD2 4.32Å; R1203-Y1205 HydrophobicContact CB-CE2 3.76Å; Y1205-L1215 HydrophobicContact CD1-CB 4.25Å; Y1205-L1215 HydrophobicContact CD1-CD2 4.06Å; Y1205-L1215 HydrophobicContact CD2-CD1 4.5Å; Y1205-L1215 WeakPolarHBondContact CE1-O 3.36Å; Y1205-L1215 HydrophobicContact CG-CB 4.33Å; Y1205-L1215 HydrophobicContact CG-CD1 4.05Å; Y1205-L1215 HydrophobicContact CG-CD2 4.27Å; Y1205-L1215 HydrophobicContact CG-CG 4.48Å; Y1205-I1216 HydrophobicContact CE2-CD1 3.85Å; Y1205-I1216 HydrophobicContact CE2-CG1 3.94Å
1206L89.5Confident81.1Confident2 Ų244.8 Ų44.81%0.0124%0.235CC..EExtended strand (participates in β ladder)trans-85.6118.3166.8-173.867.9000108.9V1124 W1125 S1127 T1152 C1155 M1156 F1159 I1161 Y1169V1124-L1206 HydrophobicContact CG1-CB 4.07Å; W1125-L1206 PolarHBondContact O-N 2.92Å; S1127-L1206 PolarHBondContact N-O 2.85Å; S1127-L1206 VanDerWaalsContact N-O 3.13Å; T1152-L1206 HydrophobicContact CG2-CD1 3.95Å; C1155-L1206 HydrophobicContact CB-CD1 4.23Å; C1155-L1206 HydrophobicContact CB-CD2 4.08Å; M1156-L1206 HydrophobicContact CG-CD2 4.28Å; F1159-L1206 HydrophobicContact CD2-CD2 4Å; I1161-L1206 HydrophobicContact CD1-CD2 3.76Å; Y1169-L1206 HydrophobicContact CD1-CD1 4.43Å; Y1169-L1206 HydrophobicContact CD1-CG 4.16Å
1207K83.5Confident81Confident6 Ų645.3 Ų45.33%0.02624%0.236CC..EExtended strand (participates in β ladder)trans-127.7148179.6-149.2-170.5-160-161.60111.2Y1169 C1170 Y1172 N1211 H1212 D1213 L1215Y1169-K1207 WeakPolarHBondContact CA-O 3.39Å; Y1169-K1207 WeakPolarHBondContact CD1-O 3.31Å; C1170-K1207 PolarHBondContact N-O 3.18Å; C1170-K1207 PolarHBondContact O-N 3.03Å; C1170-K1207 VanDerWaalsContact O-N 3.11Å; Y1172-K1207 HydrophobicContact CD2-CB 3.66Å; Y1172-K1207 HydrophobicContact CD2-CD 4.46Å; Y1172-K1207 HydrophobicContact CE2-CB 3.78Å; Y1172-K1207 HydrophobicContact CE2-CD 4.21Å; K1207-N1211 WeakPolarHBondContact CD-O 3.45Å; K1207-N1211 WeakPolarHBondContact CE-O 3.16Å; K1207-N1211 PolarHBondContact NZ-O 2.96Å; K1207-H1212 PolarHBondContact NZ-O 2.85Å; K1207-D1213 VanDerWaalsContact CE-O 3.31Å; K1207-D1213 WeakPolarHBondContact CE-O 3.48Å; K1207-D1213 PolarHBondContact NZ-O 2.84Å; K1207-L1215 HydrophobicContact CB-CD2 4.39Å; K1207-L1215 HydrophobicContact CD-CD2 3.8Å; K1207-L1215 HydrophobicContact CD-CG 4.32Å; K1207-L1215 HydrophobicContact CG-CD2 3.93Å
1208S82.1Confident80.8Confident26 Ų2645.3 Ų45.318%0.18225%0.245CC..EExtended strand (participates in β ladder)trans-74.2142.5164171.10000109.8S1168 H1210 N1211S1168-S1208 CarbonylContact O-C 3.53Å; S1168-S1208 VanDerWaalsContact O-CA 3.3Å; S1168-S1208 WeakPolarHBondContact O-CA 3.32Å; S1208-H1210 PolarHBondContact O-N 3.24Å; S1208-H1210 PolarHBondContact OG-N 2.72Å; S1208-N1211 PolarHBondContact O-N 2.99Å
1209L78.1Confident80.5Confident56 Ų5650.3 Ų50.329%0.29327%0.272SS..THydrogen-bonded Turntrans-63.9-19.2174.3-8386.9000113S1168 C1170S1168-L1209 VanDerWaalsContact C-CD1 3.47Å; S1168-L1209 WeakPolarHBondContact O-CD1 3.45Å; S1168-L1209 PolarHBondContact O-N 3.49Å; C1170-L1209 HydrophobicContact CB-CD1 4.27Å
1210H73.5Confident80.2Confident155 Ų15548.8 Ų48.872%0.71826%0.263SS*.THydrogen-bonded Turntrans-92.2-4.5-177.8-56.8-28.9000114.2S1208S1208-H1210 PolarHBondContact O-N 3.24Å; S1208-H1210 PolarHBondContact OG-N 2.72Å
1211N68.1Low80.1Confident31 Ų3149.1 Ų49.117%0.16627%0.266CS..  trans-107.2123.6177.2-170-21.5000110.2D1129 K1207 S1208 D1213D1129-N1211 PolarHBondContact OD1-ND2 2.8Å; K1207-N1211 WeakPolarHBondContact CD-O 3.45Å; K1207-N1211 WeakPolarHBondContact CE-O 3.16Å; K1207-N1211 PolarHBondContact NZ-O 2.96Å; S1208-N1211 PolarHBondContact O-N 2.99Å; N1211-D1213 WeakPolarHBondContact OD1-CB 3.37Å; N1211-D1213 PolarHBondContact OD1-N 2.68Å; N1211-D1213 PolarHBondContact OD1-OD2 3.24Å
1212H64.3Low79.8Confident169 Ų16953.8 Ų53.878%0.78228%0.284SS*.  trans-95.9-7.3-178-71.3-75.9000115K1207K1207-H1212 PolarHBondContact NZ-O 2.85Å
1213D65.2Low79.6Confident85 Ų8556.9 Ų56.946%0.45531%0.306SS..SBendtrans-58.4149.1-172.4-68.8-29.6000114.8K1207 N1211 L1215K1207-D1213 VanDerWaalsContact CE-O 3.31Å; K1207-D1213 WeakPolarHBondContact CE-O 3.48Å; K1207-D1213 PolarHBondContact NZ-O 2.84Å; N1211-D1213 WeakPolarHBondContact OD1-CB 3.37Å; N1211-D1213 PolarHBondContact OD1-N 2.68Å; N1211-D1213 PolarHBondContact OD1-OD2 3.24Å; D1213-L1215 PolarHBondContact O-N 2.91Å
1214P67.4Low79.4Confident111 Ų11156.7 Ų56.772%0.72131%0.305SS*.  trans-63.8129.5178.826.3-34.4000111.8I1216P1214-I1216 VanDerWaalsContact C-N 3.33Å; P1214-I1216 PolarHBondContact O-N 3.01Å
1215L74.1Confident79.1Confident10 Ų1058.6 Ų58.65%0.05232%0.316CS..SBendtrans-73.1-18.5-173-73.7176.5000115.4S1127 Y1172 V1174 Q1184 Y1205 K1207 D1213S1127-L1215 WeakPolarHBondContact OG-CD2 3.38Å; Y1172-L1215 HydrophobicContact CG-CD1 4.22Å; V1174-L1215 HydrophobicContact CG2-CB 4.31Å; V1174-L1215 HydrophobicContact CG2-CD1 3.56Å; Q1184-L1215 VanDerWaalsContact CD-CD1 3.42Å; Q1184-L1215 HydrophobicContact CG-CD1 4.12Å; Q1184-L1215 VanDerWaalsContact NE2-CD1 3.29Å; Y1205-L1215 HydrophobicContact CD1-CB 4.25Å; Y1205-L1215 HydrophobicContact CD1-CD2 4.06Å; Y1205-L1215 HydrophobicContact CD2-CD1 4.5Å; Y1205-L1215 WeakPolarHBondContact CE1-O 3.36Å; Y1205-L1215 HydrophobicContact CG-CB 4.33Å; Y1205-L1215 HydrophobicContact CG-CD1 4.05Å; Y1205-L1215 HydrophobicContact CG-CD2 4.27Å; Y1205-L1215 HydrophobicContact CG-CG 4.48Å; K1207-L1215 HydrophobicContact CB-CD2 4.39Å; K1207-L1215 HydrophobicContact CD-CD2 3.8Å; K1207-L1215 HydrophobicContact CD-CG 4.32Å; K1207-L1215 HydrophobicContact CG-CD2 3.93Å; D1213-L1215 PolarHBondContact O-N 2.91Å
1216I78.8Confident78.8Confident17 Ų1761.6 Ų61.69%0.08734%0.341CS..  trans-137.8131.7-172.5-60.8-170.1000108.9V1174 V1176 Y1205 P1214 V1220 A1221 I1224V1174-I1216 HydrophobicContact CB-CD1 3.98Å; V1174-I1216 HydrophobicContact CG1-CD1 3.45Å; V1174-I1216 VanDerWaalsContact CG1-CD1 3.45Å; V1174-I1216 HydrophobicContact CG1-CG1 4.09Å; V1176-I1216 HydrophobicContact CG2-CD1 4.35Å; Y1205-I1216 HydrophobicContact CE2-CD1 3.85Å; Y1205-I1216 HydrophobicContact CE2-CG1 3.94Å; P1214-I1216 VanDerWaalsContact C-N 3.33Å; P1214-I1216 PolarHBondContact O-N 3.01Å; I1216-V1220 HydrophobicContact CG2-CB 4.12Å; I1216-V1220 HydrophobicContact CG2-CG1 4.19Å; I1216-A1221 HydrophobicContact CG2-CB 3.86Å; I1216-I1224 HydrophobicContact CD1-CD1 3.87Å
1217A78.8Confident78.4Confident41 Ų4164.7 Ų64.734%0.33936%0.355SS..  trans-88155.1169.700000111.7D1219 V1220 A1221A1217-D1219 WeakPolarHBondContact CB-OD1 3.46Å; A1217-D1219 PolarHBondContact O-N 3.22Å; A1217-D1219 VanDerWaalsContact O-N 3.11Å; A1217-V1220 PolarHBondContact O-N 3.31Å; A1217-A1221 PolarHBondContact O-N 3.41Å
1218D79.3Confident78.5Confident120 Ų12065.7 Ų65.764%0.64236%0.363SS*.Hα-helixtrans-57-28.6-172.2-77-3.3000115.1K1222D1218-K1222 WeakPolarHBondContact O-CD 3.46Å; D1218-K1222 WeakPolarHBondContact O-CE 3.19Å; D1218-K1222 WeakPolarHBondContact O-CG 3.39Å; D1218-K1222 PolarHBondContact O-N 3.17Å
1219D80Confident78.7Confident108 Ų10871.4 Ų71.458%0.57838%0.381SS*.Hα-helixtrans-72.3-44.1175.559-28.3000111.7A1217 K1222 S1223A1217-D1219 WeakPolarHBondContact CB-OD1 3.46Å; A1217-D1219 PolarHBondContact O-N 3.22Å; A1217-D1219 VanDerWaalsContact O-N 3.11Å; D1219-K1222 PolarHBondContact O-N 2.89Å; D1219-S1223 PolarHBondContact O-N 3.03Å; D1219-S1223 VanDerWaalsContact O-N 3.1Å
1220V83.8Confident79.3Confident31 Ų3169.6 Ų69.619%0.18837%0.372CS..Hα-helixtrans-69.9-34.9174.3179.60000111.5I1216 A1217 K1222 S1223 I1224I1216-V1220 HydrophobicContact CG2-CB 4.12Å; I1216-V1220 HydrophobicContact CG2-CG1 4.19Å; A1217-V1220 PolarHBondContact O-N 3.31Å; V1220-K1222 VanDerWaalsContact C-N 3.33Å; V1220-K1222 PolarHBondContact O-N 3.25Å; V1220-S1223 PolarHBondContact O-N 2.88Å; V1220-S1223 PolarHBondContact O-OG 3.02Å; V1220-I1224 HydrophobicContact CG1-CD1 4Å; V1220-I1224 WeakPolarHBondContact O-CD1 3.49Å; V1220-I1224 WeakPolarHBondContact O-CG1 3.41Å; V1220-I1224 PolarHBondContact O-N 2.99Å
1221A84.4Confident80Confident9 Ų965.3 Ų65.37%0.07436%0.357CS..Hα-helixtrans-59-44.2171.200000111.7V1176 I1216 A1217 S1223 I1224 L1225V1176-A1221 HydrophobicContact CG1-CB 3.92Å; I1216-A1221 HydrophobicContact CG2-CB 3.86Å; A1217-A1221 PolarHBondContact O-N 3.41Å; A1221-S1223 PolarHBondContact O-N 3.3Å; A1221-I1224 PolarHBondContact O-N 3.23Å; A1221-L1225 PolarHBondContact O-N 2.97Å
1222K83.5Confident81.2Confident136 Ų13663.9 Ų63.959%0.59135%0.349SS*.Hα-helixtrans-64.1-37.6176.2-71.6158.3-164.9155.10112.5D1218 D1219 V1220 L1225 A1226D1218-K1222 WeakPolarHBondContact O-CD 3.46Å; D1218-K1222 WeakPolarHBondContact O-CE 3.19Å; D1218-K1222 WeakPolarHBondContact O-CG 3.39Å; D1218-K1222 PolarHBondContact O-N 3.17Å; D1219-K1222 PolarHBondContact O-N 2.89Å; V1220-K1222 VanDerWaalsContact C-N 3.33Å; V1220-K1222 PolarHBondContact O-N 3.25Å; K1222-L1225 PolarHBondContact O-N 3Å; K1222-A1226 WeakPolarHBondContact O-CB 3.45Å; K1222-A1226 PolarHBondContact O-N 3.36Å
1223S84.2Confident82.3Confident65 Ų6559 Ų5946%0.45533%0.331SS..Hα-helixtrans-69.4-38.1178.173.50000112.6D1219 V1220 A1221 A1226 E1227D1219-S1223 PolarHBondContact O-N 3.03Å; D1219-S1223 VanDerWaalsContact O-N 3.1Å; V1220-S1223 PolarHBondContact O-N 2.88Å; V1220-S1223 PolarHBondContact O-OG 3.02Å; A1221-S1223 PolarHBondContact O-N 3.3Å; S1223-A1226 PolarHBondContact O-N 2.91Å; S1223-E1227 PolarHBondContact O-N 2.89Å
1224I85.9Confident83.4Confident8 Ų859.4 Ų59.44%0.04133%0.33CS..Hα-helixtrans-64.5-42.3173.6-66.4161000111.2V1176 N1201 R1203 I1216 V1220 A1221 E1227 S1228V1176-I1224 HydrophobicContact CB-CG2 4.32Å; V1176-I1224 HydrophobicContact CG2-CB 4.19Å; V1176-I1224 HydrophobicContact CG2-CD1 4.23Å; V1176-I1224 HydrophobicContact CG2-CG2 3.88Å; N1201-I1224 WeakPolarHBondContact O-CG2 3.38Å; R1203-I1224 HydrophobicContact CG-CD1 3.8Å; R1203-I1224 HydrophobicContact CG-CG1 4.18Å; R1203-I1224 HydrophobicContact CG-CG2 4.45Å; I1216-I1224 HydrophobicContact CD1-CD1 3.87Å; V1220-I1224 HydrophobicContact CG1-CD1 4Å; V1220-I1224 WeakPolarHBondContact O-CD1 3.49Å; V1220-I1224 WeakPolarHBondContact O-CG1 3.41Å; V1220-I1224 PolarHBondContact O-N 2.99Å; A1221-I1224 PolarHBondContact O-N 3.23Å; I1224-E1227 PolarHBondContact O-N 2.97Å; I1224-S1228 PolarHBondContact O-N 3.05Å; I1224-S1228 VanDerWaalsContact O-N 3.09Å
1225L85.8Confident84.6Confident43 Ų4354.1 Ų54.123%0.22530%0.296CS..Hα-helixtrans-62.5-41.3173.6-78.8168.8000112.2V1176 A1221 K1222 S1228V1176-L1225 HydrophobicContact CB-CD2 4.4Å; V1176-L1225 HydrophobicContact CB-CG 4.16Å; V1176-L1225 HydrophobicContact CG1-CD1 3.72Å; V1176-L1225 HydrophobicContact CG1-CD2 4.15Å; V1176-L1225 HydrophobicContact CG1-CG 3.61Å; A1221-L1225 PolarHBondContact O-N 2.97Å; K1222-L1225 PolarHBondContact O-N 3Å; L1225-S1228 PolarHBondContact O-N 2.66Å; L1225-S1228 PolarHBondContact O-OG 2.74Å
1226A84.7Confident85.4Confident65 Ų6555.2 Ų55.254%0.53730%0.304SS..Hα-helixtrans-62.9-44.2175.700000111.9K1222 S1223 S1228 R1229K1222-A1226 WeakPolarHBondContact O-CB 3.45Å; K1222-A1226 PolarHBondContact O-N 3.36Å; S1223-A1226 PolarHBondContact O-N 2.91Å; A1226-S1228 PolarHBondContact O-N 3.48Å; A1226-R1229 PolarHBondContact O-N 3.38Å
1227E81.6Confident86.1Confident67 Ų6755.1 Ų55.131%0.31330%0.304SS..Hα-helixtrans-64-27.6176.4-176171.2-159.600112.8R1203 S1223 I1224 R1229 R1634R1203-E1227 IonicContact CZ-OE2 3.51Å; R1203-E1227 IonicContact NH2-OE2 3.33Å; R1203-E1227 PolarHBondContact NH2-OE2 3.34Å; S1223-E1227 PolarHBondContact O-N 2.89Å; I1224-E1227 PolarHBondContact O-N 2.97Å; E1227-R1229 PolarHBondContact O-N 3.49Å; E1227-R1634 IonicContact OE1-CZ 3.61Å; E1227-R1634 IonicContact OE1-NH2 3.56Å; E1227-R1634 PolarHBondContact OE1-NH2 2.65Å
1228S85.5Confident86.7Confident27 Ų2757.1 Ų57.119%0.18931%0.309CS..Hα-helixtrans-71.2-16176.9760000114.5I1224 L1225 A1226 V1230I1224-S1228 PolarHBondContact O-N 3.05Å; I1224-S1228 VanDerWaalsContact O-N 3.09Å; L1225-S1228 PolarHBondContact O-N 2.66Å; L1225-S1228 PolarHBondContact O-OG 2.74Å; A1226-S1228 PolarHBondContact O-N 3.48Å; S1228-V1230 PolarHBondContact O-N 3Å
1229R86.2Confident87.2Confident145 Ų14555.1 Ų55.155%0.54730%0.296SS..  trans-90.377.2179-67.6-177.1175.5-167.3-2.3111.8A1226 E1227 Q1234A1226-R1229 PolarHBondContact O-N 3.38Å; E1227-R1229 PolarHBondContact O-N 3.49Å; R1229-Q1234 PolarHBondContact O-NE2 3.42Å
1230V89.8Confident87.8Confident18 Ų1850 Ų5011%0.10927%0.269CS..  trans-71.7130.1174.5-173.60000110.5L1200 S1228 L1235 R1634L1200-V1230 HydrophobicContact CD1-CG2 3.36Å; S1228-V1230 PolarHBondContact O-N 3Å; V1230-L1235 HydrophobicContact CG1-CD1 4.19Å; V1230-L1235 HydrophobicContact CG1-CD2 3.66Å; V1230-L1235 HydrophobicContact CG1-CG 3.87Å; V1230-R1634 HydrophobicContact CG1-CB 4.28Å; V1230-R1634 HydrophobicContact CG2-CB 3.93Å; V1230-R1634 HydrophobicContact CG2-CG 3.88Å
1231T89.2Confident88.3Confident65 Ų6548.5 Ų48.540%0.39926%0.26SS..  trans-112.5148.9168.9620000110.1T1233 Q1234T1231-T1233 PolarHBondContact O-N 3.13Å; T1231-T1233 VanDerWaalsContact O-N 3.09Å; T1231-T1233 PolarHBondContact OG1-OG1 2.99Å; T1231-Q1234 WeakPolarHBondContact O-CB 3.45Å; T1231-Q1234 PolarHBondContact O-N 2.9Å; T1231-Q1234 WeakPolarHBondContact OG1-CG 3.4Å; T1231-Q1234 PolarHBondContact OG1-NE2 3.28Å
1232F92.3Very high88.6Confident2 Ų249 Ų491%0.00926%0.263CS..G310 helixtrans-48.5-39.8180174.9-118.3000113.7Q1234 L1235 L1240 W1311 L1328 R1331 F1332 L1335 Y1638F1232-Q1234 PolarHBondContact O-N 3.11Å; F1232-Q1234 VanDerWaalsContact O-N 3.17Å; F1232-L1235 PolarHBondContact O-N 3.45Å; F1232-L1240 HydrophobicContact CD2-CD2 3.81Å; F1232-L1240 HydrophobicContact CE2-CD2 3.52Å; F1232-W1311 HydrophobicContact CD2-CH2 4.32Å; F1232-W1311 AromaticContact CD2-CZ2 3.64Å; F1232-W1311 HydrophobicContact CD2-CZ2 3.64Å; F1232-W1311 AromaticContact CE2-CH2 3.8Å; F1232-W1311 HydrophobicContact CE2-CH2 3.8Å; F1232-W1311 AromaticContact CE2-CZ2 3.5Å; F1232-W1311 HydrophobicContact CE2-CZ2 3.5Å; F1232-W1311 VanDerWaalsContact CE2-CZ2 3.5Å; F1232-W1311 HydrophobicContact CZ-CZ2 4.4Å; F1232-L1328 HydrophobicContact CD1-CD2 3.67Å; F1232-L1328 HydrophobicContact CE1-CD2 4.34Å; F1232-R1331 HydrophobicContact CD1-CG 4.15Å; F1232-R1331 HydrophobicContact CE1-CB 3.73Å; F1232-R1331 HydrophobicContact CE1-CG 3.44Å; F1232-R1331 VanDerWaalsContact CE1-CG 3.44Å; F1232-R1331 HydrophobicContact CE2-CG 4.4Å; F1232-R1331 HydrophobicContact CZ-CB 4.19Å; F1232-R1331 HydrophobicContact CZ-CG 3.59Å; F1232-F1332 HydrophobicContact CD1-CE2 4.24Å; F1232-F1332 HydrophobicContact CD1-CZ 4.09Å; F1232-F1332 HydrophobicContact CE1-CD1 4.01Å; F1232-F1332 AromaticContact CE1-CD2 3.91Å; F1232-F1332 HydrophobicContact CE1-CD2 3.91Å; F1232-F1332 AromaticContact CE1-CE1 3.77Å; F1232-F1332 HydrophobicContact CE1-CE1 3.77Å; F1232-F1332 AromaticContact CE1-CE2 3.66Å; F1232-F1332 HydrophobicContact CE1-CE2 3.66Å; F1232-F1332 HydrophobicContact CE1-CG 4.07Å; F1232-F1332 AromaticContact CE1-CZ 3.59Å; F1232-F1332 HydrophobicContact CE1-CZ 3.59Å; F1232-F1332 HydrophobicContact CE2-CD1 4.34Å; F1232-F1332 AromaticContact CE2-CE1 3.88Å; F1232-F1332 HydrophobicContact CE2-CE1 3.88Å; F1232-F1332 HydrophobicContact CE2-CZ 4.28Å; F1232-F1332 AromaticContact CZ-CD1 3.52Å; F1232-F1332 HydrophobicContact CZ-CD1 3.52Å; F1232-F1332 HydrophobicContact CZ-CD2 4.27Å; F1232-F1332 AromaticContact CZ-CE1 3.37Å; F1232-F1332 HydrophobicContact CZ-CE1 3.37Å; F1232-F1332 HydrophobicContact CZ-CE2 4.14Å; F1232-F1332 AromaticContact CZ-CG 3.98Å; F1232-F1332 HydrophobicContact CZ-CG 3.98Å; F1232-F1332 AromaticContact CZ-CZ 3.7Å; F1232-F1332 HydrophobicContact CZ-CZ 3.7Å; F1232-L1335 HydrophobicContact CE2-CD2 4.17Å; F1232-L1335 HydrophobicContact CZ-CD2 4.38Å; F1232-Y1638 HydrophobicContact CB-CE2 4.07Å; F1232-Y1638 HydrophobicContact CD2-CE1 4.46Å
1233T87.9Confident88.9Confident65 Ų6543.4 Ų43.440%0.39924%0.238SC..G310 helixtrans-57.8-26.9176.448.70000114.7T1231 L1328 R1331T1231-T1233 PolarHBondContact O-N 3.13Å; T1231-T1233 VanDerWaalsContact O-N 3.09Å; T1231-T1233 PolarHBondContact OG1-OG1 2.99Å; T1233-L1328 HydrophobicContact CG2-CD2 3.86Å; T1233-R1331 PolarHBondContact O-NH2 3.2Å
1234Q88Confident89.3Confident94 Ų9440.6 Ų40.644%0.43922%0.218SC..G310 helixtrans-81.8-20.1178-60170.434.700113.3R1229 T1231 F1232R1229-Q1234 PolarHBondContact O-NE2 3.42Å; T1231-Q1234 WeakPolarHBondContact O-CB 3.45Å; T1231-Q1234 PolarHBondContact O-N 2.9Å; T1231-Q1234 WeakPolarHBondContact OG1-CG 3.4Å; T1231-Q1234 PolarHBondContact OG1-NE2 3.28Å; F1232-Q1234 PolarHBondContact O-N 3.11Å; F1232-Q1234 VanDerWaalsContact O-N 3.17Å
1235L92.6Very high89.7Confident1 Ų140.2 Ų40.21%0.00522%0.216CC..SBendtrans-84.5120.9-174.3-65.3178.5000111V1230 F1232 L1240 R1331 M1631 R1634 I1635 Y1638V1230-L1235 HydrophobicContact CG1-CD1 4.19Å; V1230-L1235 HydrophobicContact CG1-CD2 3.66Å; V1230-L1235 HydrophobicContact CG1-CG 3.87Å; F1232-L1235 PolarHBondContact O-N 3.45Å; L1235-L1240 HydrophobicContact CB-CD2 4.25Å; L1235-L1240 HydrophobicContact CD1-CD1 4.23Å; L1235-L1240 HydrophobicContact CD1-CD2 4.45Å; L1235-R1331 PolarHBondContact O-NH2 3.48Å; L1235-M1631 HydrophobicContact CD2-SD 4.09Å; L1235-R1634 HydrophobicContact CD2-CB 3.93Å; L1235-I1635 HydrophobicContact CD1-CG1 4.3Å; L1235-I1635 HydrophobicContact CD2-CG1 3.86Å; L1235-Y1638 HydrophobicContact CD1-CD1 3.78Å; L1235-Y1638 HydrophobicContact CD1-CG 3.81Å
1236P91.6Very high89.9Confident33 Ų3339 Ų3921%0.21421%0.21CC..  trans-64127.7-179.825-30.8000109.9N1238 E1239 L1240 M1631P1236-N1238 PolarHBondContact O-N 2.95Å; P1236-E1239 HydrophobicContact CG-CB 4.14Å; P1236-E1239 HydrophobicContact CG-CG 4.18Å; P1236-E1239 WeakPolarHBondContact CG-OE1 3.32Å; P1236-E1239 PolarHBondContact O-N 3.42Å; P1236-L1240 PolarHBondContact O-N 2.81Å; P1236-L1240 VanDerWaalsContact O-N 3.08Å; P1236-M1631 WeakPolarHBondContact CD-SD 3.49Å; P1236-M1631 HydrophobicContact CG-CE 3.89Å; P1236-M1631 HydrophobicContact CG-CG 4.07Å; P1236-M1631 HydrophobicContact CG-SD 4.04Å
1237P92.7Very high90.1Very high14 Ų1438 Ų389%0.09120%0.196CC..Hα-helixtrans-67.5-25.7-166.427.1-34.5000112.9A1241 K1334 L1335 L1338P1237-A1241 WeakPolarHBondContact O-CB 3.42Å; P1237-A1241 PolarHBondContact O-N 3.34Å; P1237-K1334 HydrophobicContact CG-CD 4.01Å; P1237-L1335 HydrophobicContact CB-CD1 4.5Å; P1237-L1338 HydrophobicContact CB-CD1 3.82Å; P1237-L1338 HydrophobicContact CG-CD1 4.28Å
1238N91.9Very high90.7Very high84 Ų8434.8 Ų34.845%0.44918%0.181SC..Hα-helixtrans-67.6-47.1177.6-63.344.4000111.8P1236 L1240 A1242P1236-N1238 PolarHBondContact O-N 2.95Å; N1238-L1240 VanDerWaalsContact C-N 3.33Å; N1238-A1242 VanDerWaalsContact O-CB 3.24Å; N1238-A1242 WeakPolarHBondContact O-CB 3.43Å; N1238-A1242 PolarHBondContact O-N 2.99Å
1239E89.4Confident91.1Very high78 Ų7833.8 Ų33.836%0.36417%0.173SC..Hα-helixtrans-72.4-30.8177.7-61.3174.3-123.400111.2P1236 R1243 M1631 I1635P1236-E1239 HydrophobicContact CG-CB 4.14Å; P1236-E1239 HydrophobicContact CG-CG 4.18Å; P1236-E1239 WeakPolarHBondContact CG-OE1 3.32Å; P1236-E1239 PolarHBondContact O-N 3.42Å; E1239-R1243 WeakPolarHBondContact O-CB 3.42Å; E1239-R1243 PolarHBondContact O-N 3.42Å; E1239-M1631 WeakPolarHBondContact OE2-CB 3.48Å; E1239-M1631 VanDerWaalsContact OE2-CG 3.26Å; E1239-M1631 WeakPolarHBondContact OE2-CG 3.49Å; E1239-I1635 HydrophobicContact CB-CD1 4.24Å
1240L93Very high91.3Very high0 Ų029.7 Ų29.70%016%0.16CC..Hα-helixtrans-65.6-50.3174.2-172.957.1000111.9F1232 L1235 P1236 N1238 A1242 R1243 L1244 W1311 L1335 I1635 F1639F1232-L1240 HydrophobicContact CD2-CD2 3.81Å; F1232-L1240 HydrophobicContact CE2-CD2 3.52Å; L1235-L1240 HydrophobicContact CB-CD2 4.25Å; L1235-L1240 HydrophobicContact CD1-CD1 4.23Å; L1235-L1240 HydrophobicContact CD1-CD2 4.45Å; P1236-L1240 PolarHBondContact O-N 2.81Å; P1236-L1240 VanDerWaalsContact O-N 3.08Å; N1238-L1240 VanDerWaalsContact C-N 3.33Å; L1240-A1242 VanDerWaalsContact C-N 3.32Å; L1240-A1242 PolarHBondContact O-N 2.77Å; L1240-R1243 PolarHBondContact O-N 3.25Å; L1240-L1244 HydrophobicContact CD1-CD1 4.49Å; L1240-L1244 HydrophobicContact CG-CD1 4.34Å; L1240-L1244 WeakPolarHBondContact O-CB 3.28Å; L1240-L1244 WeakPolarHBondContact O-CG 3.44Å; L1240-L1244 PolarHBondContact O-N 3.16Å; L1240-W1311 HydrophobicContact CD2-CH2 4.2Å; L1240-L1335 HydrophobicContact CB-CD1 4.14Å; L1240-L1335 HydrophobicContact CD2-CD1 4.16Å; L1240-L1335 HydrophobicContact CD2-CD2 4.24Å; L1240-L1335 HydrophobicContact CG-CD1 4.03Å; L1240-I1635 HydrophobicContact CD1-CG1 4.21Å; L1240-I1635 HydrophobicContact CD1-CG2 3.71Å; L1240-F1639 HydrophobicContact CD1-CE2 3.56Å; L1240-F1639 HydrophobicContact CD1-CZ 3.8Å
1241A95Very high91.4Very high0 Ų029.8 Ų29.80%016%0.16CC..Hα-helixtrans-61.3-40.9174.900000112.1P1237 T1245 L1335 L1338 L1342P1237-A1241 WeakPolarHBondContact O-CB 3.42Å; P1237-A1241 PolarHBondContact O-N 3.34Å; A1241-T1245 VanDerWaalsContact O-CB 3.31Å; A1241-T1245 WeakPolarHBondContact O-CB 3.49Å; A1241-T1245 PolarHBondContact O-N 2.99Å; A1241-T1245 PolarHBondContact O-OG1 3.45Å; A1241-L1335 HydrophobicContact CB-CD1 3.88Å; A1241-L1338 HydrophobicContact CB-CB 3.66Å; A1241-L1342 HydrophobicContact CB-CD1 3.94Å
1242A91Very high91.6Very high18 Ų1826.8 Ų26.815%0.14914%0.141CC..Hα-helixtrans-63.6-43.9177.600000112.5N1238 L1240 I1246 L1459N1238-A1242 VanDerWaalsContact O-CB 3.24Å; N1238-A1242 WeakPolarHBondContact O-CB 3.43Å; N1238-A1242 PolarHBondContact O-N 2.99Å; L1240-A1242 VanDerWaalsContact C-N 3.32Å; L1240-A1242 PolarHBondContact O-N 2.77Å; A1242-I1246 WeakPolarHBondContact O-CG1 3.49Å; A1242-I1246 PolarHBondContact O-N 2.94Å; A1242-L1459 HydrophobicContact CB-CD1 3.89Å; A1242-L1459 HydrophobicContact CB-CD2 3.69Å; A1242-L1459 HydrophobicContact CB-CG 4.49Å
1243R89.2Confident91.5Very high19 Ų1931.3 Ų31.37%0.07216%0.158CC..Hα-helixtrans-74-41.6179.9-173.363.1-142.2165.17.1112.5E1239 L1240 T1245 I1246 D1247 E1250 I1635E1239-R1243 WeakPolarHBondContact O-CB 3.42Å; E1239-R1243 PolarHBondContact O-N 3.42Å; L1240-R1243 PolarHBondContact O-N 3.25Å; R1243-T1245 VanDerWaalsContact C-N 3.33Å; R1243-T1245 PolarHBondContact O-N 3.02Å; R1243-I1246 PolarHBondContact O-N 3.3Å; R1243-D1247 VanDerWaalsContact CG-OD2 3.31Å; R1243-D1247 WeakPolarHBondContact CG-OD2 3.25Å; R1243-D1247 IonicContact CZ-OD1 3.36Å; R1243-D1247 IonicContact CZ-OD2 3.54Å; R1243-D1247 VanDerWaalsContact NE-CG 3.3Å; R1243-D1247 IonicContact NE-OD1 3.6Å; R1243-D1247 PolarHBondContact NE-OD1 3.38Å; R1243-D1247 IonicContact NE-OD2 3.46Å; R1243-D1247 PolarHBondContact NE-OD2 3.48Å; R1243-D1247 IonicContact NH2-OD1 2.66Å; R1243-D1247 PolarHBondContact NH2-OD1 3.05Å; R1243-D1247 IonicContact NH2-OD2 3.6Å; R1243-D1247 PolarHBondContact O-N 2.7Å; R1243-E1250 IonicContact CZ-OE1 3.35Å; R1243-E1250 IonicContact NH1-OE1 3.24Å; R1243-E1250 IonicContact NH2-OE1 2.68Å; R1243-E1250 PolarHBondContact NH2-OE1 3.33Å; R1243-I1635 HydrophobicContact CB-CD1 4.31Å; R1243-I1635 HydrophobicContact CB-CG2 4.44Å; R1243-I1635 HydrophobicContact CG-CG2 4.35Å
1244L91.8Very high91.5Very high6 Ų630.1 Ų30.13%0.03115%0.152CC..Hα-helixtrans-53.1-51.2170.9-79.1173.3000111.1L1240 I1246 D1247 D1248 E1308 W1311 L1335 T1347 F1639L1240-L1244 HydrophobicContact CD1-CD1 4.49Å; L1240-L1244 HydrophobicContact CG-CD1 4.34Å; L1240-L1244 WeakPolarHBondContact O-CB 3.28Å; L1240-L1244 WeakPolarHBondContact O-CG 3.44Å; L1240-L1244 PolarHBondContact O-N 3.16Å; L1244-I1246 VanDerWaalsContact C-N 3.26Å; L1244-I1246 PolarHBondContact O-N 3.14Å; L1244-D1247 PolarHBondContact O-N 2.92Å; L1244-D1247 VanDerWaalsContact O-N 3.16Å; L1244-D1248 WeakPolarHBondContact O-CB 3.49Å; L1244-D1248 PolarHBondContact O-N 3.11Å; L1244-E1308 WeakPolarHBondContact CD2-OE1 3.27Å; L1244-W1311 HydrophobicContact CD1-CH2 4.12Å; L1244-W1311 HydrophobicContact CD1-CZ3 3.81Å; L1244-L1335 HydrophobicContact CD1-CD2 4.29Å; L1244-T1347 HydrophobicContact CD1-CG2 4.19Å; L1244-F1639 HydrophobicContact CD1-CZ 4.09Å; L1244-F1639 HydrophobicContact CD2-CE1 4.28Å; L1244-F1639 HydrophobicContact CD2-CE2 3.68Å; L1244-F1639 HydrophobicContact CD2-CZ 3.51Å; L1244-F1639 HydrophobicContact CG-CE2 4.11Å; L1244-F1639 HydrophobicContact CG-CZ 4Å
1245T94.4Very high91.7Very high0 Ų026.1 Ų26.10%013%0.134CC..Hα-helixtrans-60.9-33-179.2-55.90000113A1241 R1243 Y1249 L1342 N1344 Y1457A1241-T1245 VanDerWaalsContact O-CB 3.31Å; A1241-T1245 WeakPolarHBondContact O-CB 3.49Å; A1241-T1245 PolarHBondContact O-N 2.99Å; A1241-T1245 PolarHBondContact O-OG1 3.45Å; R1243-T1245 VanDerWaalsContact C-N 3.33Å; R1243-T1245 PolarHBondContact O-N 3.02Å; T1245-Y1249 WeakPolarHBondContact O-CB 3.38Å; T1245-Y1249 PolarHBondContact O-N 2.73Å; T1245-Y1249 VanDerWaalsContact O-N 3.12Å; T1245-L1342 HydrophobicContact CG2-CB 4.4Å; T1245-N1344 HydrophobicContact CG2-CB 3.81Å; T1245-N1344 WeakPolarHBondContact OG1-CB 3.33Å; T1245-N1344 PolarHBondContact OG1-ND2 2.83Å; T1245-Y1457 HydrophobicContact CG2-CD2 4.37Å; T1245-Y1457 HydrophobicContact CG2-CE1 3.95Å; T1245-Y1457 HydrophobicContact CG2-CE2 3.67Å; T1245-Y1457 VanDerWaalsContact CG2-CZ 3.46Å
1246I90.4Very high91.5Very high19 Ų1928.4 Ų28.410%0.09715%0.145CC..Hα-helixtrans-72.6-50.6172.4-68.4171.8000111.3A1242 R1243 L1244 D1248 Y1249 E1250 Y1457 L1459A1242-I1246 WeakPolarHBondContact O-CG1 3.49Å; A1242-I1246 PolarHBondContact O-N 2.94Å; R1243-I1246 PolarHBondContact O-N 3.3Å; L1244-I1246 VanDerWaalsContact C-N 3.26Å; L1244-I1246 PolarHBondContact O-N 3.14Å; I1246-D1248 VanDerWaalsContact C-N 3.28Å; I1246-D1248 PolarHBondContact O-N 2.96Å; I1246-Y1249 PolarHBondContact O-N 2.97Å; I1246-Y1249 VanDerWaalsContact O-N 3.17Å; I1246-E1250 HydrophobicContact CG2-CG 4.17Å; I1246-E1250 WeakPolarHBondContact CG2-OE1 3.27Å; I1246-E1250 WeakPolarHBondContact O-CB 3.39Å; I1246-E1250 WeakPolarHBondContact O-CG 3.11Å; I1246-E1250 PolarHBondContact O-N 3.33Å; I1246-Y1457 HydrophobicContact CG1-CD1 4.26Å; I1246-L1459 HydrophobicContact CD1-CD1 3.52Å; I1246-L1459 HydrophobicContact CD1-CG 4.14Å; I1246-L1459 HydrophobicContact CG1-CD1 4.37Å
1247D89.4Confident91.5Very high43 Ų4327.9 Ų27.923%0.2314%0.142CC..Hα-helixtrans-58.2-40.3-178.9-78-52.9000111.8R1243 L1244 I1251R1243-D1247 VanDerWaalsContact CG-OD2 3.31Å; R1243-D1247 WeakPolarHBondContact CG-OD2 3.25Å; R1243-D1247 IonicContact CZ-OD1 3.36Å; R1243-D1247 IonicContact CZ-OD2 3.54Å; R1243-D1247 VanDerWaalsContact NE-CG 3.3Å; R1243-D1247 IonicContact NE-OD1 3.6Å; R1243-D1247 PolarHBondContact NE-OD1 3.38Å; R1243-D1247 IonicContact NE-OD2 3.46Å; R1243-D1247 PolarHBondContact NE-OD2 3.48Å; R1243-D1247 IonicContact NH2-OD1 2.66Å; R1243-D1247 PolarHBondContact NH2-OD1 3.05Å; R1243-D1247 IonicContact NH2-OD2 3.6Å; R1243-D1247 PolarHBondContact O-N 2.7Å; L1244-D1247 PolarHBondContact O-N 2.92Å; L1244-D1247 VanDerWaalsContact O-N 3.16Å; D1247-I1251 PolarHBondContact O-N 3.25Å
1248D93.8Very high91.5Very high0 Ų027.3 Ų27.30%014%0.138CC..Hα-helixtrans-68.9-42.5174.9-79.234.9000112.6L1244 I1246 I1251 F1252 L1304 N1346 T1347 L1408L1244-D1248 WeakPolarHBondContact O-CB 3.49Å; L1244-D1248 PolarHBondContact O-N 3.11Å; I1246-D1248 VanDerWaalsContact C-N 3.28Å; I1246-D1248 PolarHBondContact O-N 2.96Å; D1248-I1251 PolarHBondContact O-N 2.99Å; D1248-F1252 WeakPolarHBondContact O-CB 3.36Å; D1248-F1252 PolarHBondContact O-N 3.07Å; D1248-L1304 WeakPolarHBondContact OD1-CD1 3.4Å; D1248-L1304 WeakPolarHBondContact OD1-CD2 3.49Å; D1248-L1304 VanDerWaalsContact OD2-CD2 3.32Å; D1248-L1304 WeakPolarHBondContact OD2-CD2 3.45Å; D1248-N1346 PolarHBondContact OD2-ND2 3.43Å; D1248-T1347 PolarHBondContact OD2-OG1 3.16Å; D1248-L1408 HydrophobicContact CB-CD2 3.53Å
1249Y93.5Very high91.5Very high6 Ų623.5 Ų23.52%0.02412%0.118CC..Hα-helixtrans-71-32.3179.6-163.6-93.9000112.1T1245 I1246 I1251 F1252 R1253 P1406 L1408 M1452 C1453 V1455 Y1457T1245-Y1249 WeakPolarHBondContact O-CB 3.38Å; T1245-Y1249 PolarHBondContact O-N 2.73Å; T1245-Y1249 VanDerWaalsContact O-N 3.12Å; I1246-Y1249 PolarHBondContact O-N 2.97Å; I1246-Y1249 VanDerWaalsContact O-N 3.17Å; Y1249-I1251 VanDerWaalsContact C-N 3.31Å; Y1249-I1251 PolarHBondContact O-N 2.77Å; Y1249-F1252 HydrophobicContact CD2-CD1 4.33Å; Y1249-F1252 HydrophobicContact CE2-CD1 4.37Å; Y1249-R1253 WeakPolarHBondContact O-CB 3.41Å; Y1249-R1253 PolarHBondContact O-N 3.45Å; Y1249-P1406 HydrophobicContact CE1-CB 4.32Å; Y1249-P1406 HydrophobicContact CE2-CB 3.9Å; Y1249-P1406 VanDerWaalsContact OH-CB 3.32Å; Y1249-P1406 WeakPolarHBondContact OH-CB 3.33Å; Y1249-L1408 HydrophobicContact CD2-CD1 3.86Å; Y1249-M1452 PolarHBondContact OH-O 3.15Å; Y1249-C1453 VanDerWaalsContact OH-C 3.26Å; Y1249-C1453 WeakPolarHBondContact OH-CA 3.37Å; Y1249-V1455 WeakPolarHBondContact CE1-O 3.34Å; Y1249-V1455 PolarHBondContact OH-O 3.5Å; Y1249-Y1457 HydrophobicContact CD1-CD2 4.33Å; Y1249-Y1457 HydrophobicContact CD1-CG 4.46Å; Y1249-Y1457 HydrophobicContact CD2-CD2 4.01Å; Y1249-Y1457 HydrophobicContact CE2-CD2 4.32Å; Y1249-Y1457 HydrophobicContact CG-CD2 4.01Å; Y1249-Y1457 HydrophobicContact CG-CG 4.45Å
1250E89.8Confident91.8Very high58 Ų5819.9 Ų19.927%0.27110%0.101SC..Hα-helixtrans-57.6-43.5169.1-75.8179.1-143.100110.7T1098 R1243 I1246 S1254T1098-E1250 WeakPolarHBondContact CG2-OE2 3.49Å; R1243-E1250 IonicContact CZ-OE1 3.35Å; R1243-E1250 IonicContact NH1-OE1 3.24Å; R1243-E1250 IonicContact NH2-OE1 2.68Å; R1243-E1250 PolarHBondContact NH2-OE1 3.33Å; I1246-E1250 HydrophobicContact CG2-CG 4.17Å; I1246-E1250 WeakPolarHBondContact CG2-OE1 3.27Å; I1246-E1250 WeakPolarHBondContact O-CB 3.39Å; I1246-E1250 WeakPolarHBondContact O-CG 3.11Å; I1246-E1250 PolarHBondContact O-N 3.33Å; E1250-S1254 PolarHBondContact O-N 3.47Å
1251I91.7Very high91.8Very high21 Ų2119.9 Ų19.911%0.10810%0.101CC..Hα-helixtrans-73.6-48.4178.5-70.3167.1000111.8D1247 D1248 Y1249 R1253 S1254 V1255 R1300 F1301 L1304D1247-I1251 PolarHBondContact O-N 3.25Å; D1248-I1251 PolarHBondContact O-N 2.99Å; Y1249-I1251 VanDerWaalsContact C-N 3.31Å; Y1249-I1251 PolarHBondContact O-N 2.77Å; I1251-R1253 PolarHBondContact O-N 3.43Å; I1251-S1254 PolarHBondContact O-N 2.88Å; I1251-S1254 PolarHBondContact O-OG 3.18Å; I1251-V1255 PolarHBondContact O-N 3.46Å; I1251-R1300 HydrophobicContact CG2-CG 4.36Å; I1251-F1301 HydrophobicContact CG2-CB 3.77Å; I1251-F1301 HydrophobicContact CG2-CD2 4.06Å; I1251-F1301 HydrophobicContact CG2-CG 4.13Å; I1251-L1304 HydrophobicContact CD1-CD1 3.55Å
1252F93.8Very high91.7Very high2 Ų219.9 Ų19.91%0.00910%0.101CC..Hα-helixtrans-59.1-35.7177.3173.1-124.7000112.7D1248 Y1249 S1254 V1255 F1301 L1408 P1409 I1449 M1452 C1453D1248-F1252 WeakPolarHBondContact O-CB 3.36Å; D1248-F1252 PolarHBondContact O-N 3.07Å; Y1249-F1252 HydrophobicContact CD2-CD1 4.33Å; Y1249-F1252 HydrophobicContact CE2-CD1 4.37Å; F1252-S1254 VanDerWaalsContact C-N 3.32Å; F1252-V1255 PolarHBondContact O-N 2.9Å; F1252-F1301 HydrophobicContact CB-CD1 4.39Å; F1252-F1301 HydrophobicContact CB-CE1 3.93Å; F1252-F1301 HydrophobicContact CB-CE2 4.47Å; F1252-F1301 HydrophobicContact CB-CZ 3.98Å; F1252-F1301 HydrophobicContact CD2-CD1 4.13Å; F1252-F1301 AromaticContact CD2-CE1 3.52Å; F1252-F1301 HydrophobicContact CD2-CE1 3.52Å; F1252-F1301 HydrophobicContact CD2-CZ 4.23Å; F1252-F1301 HydrophobicContact CE2-CE1 4.38Å; F1252-F1301 HydrophobicContact CG-CE1 4.05Å; F1252-F1301 HydrophobicContact CG-CZ 4.34Å; F1252-L1408 HydrophobicContact CB-CD1 3.52Å; F1252-L1408 HydrophobicContact CD1-CD1 3.44Å; F1252-L1408 VanDerWaalsContact CD1-CD1 3.44Å; F1252-L1408 HydrophobicContact CE1-CD1 4.31Å; F1252-L1408 HydrophobicContact CG-CD1 3.68Å; F1252-P1409 HydrophobicContact CE1-CG 4.25Å; F1252-P1409 HydrophobicContact CE2-CG 4.04Å; F1252-P1409 HydrophobicContact CZ-CG 3.65Å; F1252-I1449 HydrophobicContact CE2-CG2 3.66Å; F1252-I1449 HydrophobicContact CZ-CG2 3.76Å; F1252-M1452 HydrophobicContact CE1-CB 4.09Å; F1252-M1452 HydrophobicContact CZ-CB 4.25Å; F1252-C1453 HydrophobicContact CD1-CB 3.76Å; F1252-C1453 HydrophobicContact CE1-CB 3.59Å; F1252-C1453 HydrophobicContact CZ-CB 4.19Å
1253R90Very high91.7Very high97 Ų9722.2 Ų22.237%0.36611%0.108SC..Hα-helixtrans-73.9-19.2174.6-175178.3177.51766.6113.5Y1249 I1251 C1453 D1456Y1249-R1253 WeakPolarHBondContact O-CB 3.41Å; Y1249-R1253 PolarHBondContact O-N 3.45Å; I1251-R1253 PolarHBondContact O-N 3.43Å; R1253-C1453 HydrophobicContact CB-CB 4.36Å; R1253-D1456 IonicContact CZ-OD1 3.79Å; R1253-D1456 IonicContact NH1-OD1 3.83Å; R1253-D1456 PolarHBondContact NH1-OD1 2.83Å; R1253-D1456 IonicContact NH2-OD1 3.38Å; R1253-D1456 PolarHBondContact NH2-OD1 2.89Å
1254S89.4Confident91.7Very high39 Ų3922.5 Ų22.527%0.27311%0.111SC..Hα-helixtrans-80.3-22.5173.382.60000112.7E1250 I1251 F1252 Q1256 N1297E1250-S1254 PolarHBondContact O-N 3.47Å; I1251-S1254 PolarHBondContact O-N 2.88Å; I1251-S1254 PolarHBondContact O-OG 3.18Å; F1252-S1254 VanDerWaalsContact C-N 3.32Å; S1254-Q1256 PolarHBondContact O-N 2.64Å; S1254-N1297 PolarHBondContact O-ND2 3.19Å; S1254-N1297 PolarHBondContact OG-OD1 3.4Å
1255V91.7Very high91.6Very high11 Ų1123.8 Ų23.87%0.06712%0.117CC..  trans-63.4124173.3-172.50000110.9I1251 F1252 E1259 Y1260 N1297 L1298 F1301I1251-V1255 PolarHBondContact O-N 3.46Å; F1252-V1255 PolarHBondContact O-N 2.9Å; V1255-E1259 HydrophobicContact CG1-CB 4.3Å; V1255-Y1260 HydrophobicContact CG1-CD2 4.34Å; V1255-Y1260 HydrophobicContact CG1-CE1 4.34Å; V1255-Y1260 HydrophobicContact CG1-CE2 3.65Å; V1255-N1297 HydrophobicContact CB-CB 4.5Å; V1255-N1297 HydrophobicContact CG2-CB 4.07Å; V1255-L1298 HydrophobicContact CG1-CB 4Å; V1255-L1298 HydrophobicContact CG1-CD1 4.21Å; V1255-L1298 HydrophobicContact CG1-CD2 4.48Å; V1255-L1298 HydrophobicContact CG1-CG 4.47Å; V1255-F1301 HydrophobicContact CG2-CB 4.31Å; V1255-F1301 HydrophobicContact CG2-CD1 4.39Å
1256Q88.6Confident91.2Very high49 Ų4924.8 Ų24.823%0.22913%0.126CC..  trans-90.4151.7179.9-50171.9-5.400111N567 S1254 T1258 E1259N567-Q1256 PolarHBondContact ND2-NE2 3.1Å; N567-Q1256 PolarHBondContact ND2-OE1 3.4Å; N567-Q1256 PolarHBondContact OD1-NE2 3.23Å; N567-Q1256 VanDerWaalsContact OD1-NE2 3.09Å; N567-Q1256 PolarHBondContact OD1-OE1 3.09Å; S1254-Q1256 PolarHBondContact O-N 2.64Å; Q1256-T1258 PolarHBondContact O-N 2.99Å; Q1256-T1258 VanDerWaalsContact O-N 3.08Å; Q1256-E1259 HydrophobicContact CB-CG 4.08Å; Q1256-E1259 WeakPolarHBondContact CG-OE1 3.37Å; Q1256-E1259 PolarHBondContact N-OE1 3.03Å; Q1256-E1259 PolarHBondContact O-N 3.45Å; Q1256-E1259 VanDerWaalsContact O-N 3.09Å
1257S91.4Very high90.8Very high22 Ų2224.2 Ų24.215%0.15412%0.124CC..Hα-helixtrans-58-24.4177500000114L524 H565L524-S1257 WeakPolarHBondContact CD1-O 3.49Å; H565-S1257 PolarHBondContact CE1-OG 3.38Å; H565-S1257 PolarHBondContact ND1-OG 2.98Å
1258T91.8Very high89.6Confident1 Ų125.2 Ų25.21%0.00613%0.134CC..Hα-helixtrans-74.4-34.5178.155.70000112.9R527 H565 Q1256 Y1260 I1261 D1262R527-T1258 VanDerWaalsContact NH2-CG2 3.3Å; H565-T1258 HydrophobicContact CB-CG2 4.07Å; H565-T1258 WeakPolarHBondContact ND1-CG2 3.49Å; Q1256-T1258 PolarHBondContact O-N 2.99Å; Q1256-T1258 VanDerWaalsContact O-N 3.08Å; T1258-Y1260 VanDerWaalsContact C-N 3.35Å; T1258-Y1260 PolarHBondContact O-N 2.89Å; T1258-I1261 PolarHBondContact O-N 3.38Å; T1258-D1262 PolarHBondContact O-N 2.9Å
1259E93Very high88Confident4 Ų428 Ų282%0.01915%0.149CC..Hα-helixtrans-61.8-41.6-175.1-61.7-176.2-12100111.7V1255 Q1256 I1261 D1262 E1263 G1294 H1295 E1296 N1297 L1298V1255-E1259 HydrophobicContact CG1-CB 4.3Å; Q1256-E1259 HydrophobicContact CB-CG 4.08Å; Q1256-E1259 WeakPolarHBondContact CG-OE1 3.37Å; Q1256-E1259 PolarHBondContact N-OE1 3.03Å; Q1256-E1259 PolarHBondContact O-N 3.45Å; Q1256-E1259 VanDerWaalsContact O-N 3.09Å; E1259-I1261 VanDerWaalsContact C-N 3.33Å; E1259-I1261 PolarHBondContact O-N 3.44Å; E1259-D1262 PolarHBondContact O-N 3.47Å; E1259-E1263 PolarHBondContact O-N 3.01Å; E1259-G1294 WeakPolarHBondContact CG-O 3.3Å; E1259-H1295 HydrophobicContact CB-CB 3.98Å; E1259-H1295 WeakPolarHBondContact OE2-CA 3.44Å; E1259-E1296 PolarHBondContact OE2-N 3.23Å; E1259-N1297 WeakPolarHBondContact OE1-CB 3.45Å; E1259-N1297 PolarHBondContact OE1-ND2 2.62Å; E1259-N1297 WeakPolarHBondContact OE2-CA 3.21Å; E1259-N1297 WeakPolarHBondContact OE2-CB 3.26Å; E1259-N1297 PolarHBondContact OE2-N 3.22Å; E1259-N1297 PolarHBondContact OE2-ND2 2.98Å; E1259-L1298 HydrophobicContact CB-CB 4.1Å; E1259-L1298 HydrophobicContact CB-CD2 4.08Å; E1259-L1298 PolarHBondContact OE2-N 2.7Å; E1259-L1298 VanDerWaalsContact OE2-N 3.08Å
1260Y94.7Very high85.9Confident3 Ų331 Ų311%0.01218%0.175CC..Hα-helixtrans-56.5-45.4173.6-63.3-72.1000112V1255 T1258 D1262 E1263 I1264 L1298 L1411 L1415 L1418 V1446 I1449V1255-Y1260 HydrophobicContact CG1-CD2 4.34Å; V1255-Y1260 HydrophobicContact CG1-CE1 4.34Å; V1255-Y1260 HydrophobicContact CG1-CE2 3.65Å; T1258-Y1260 VanDerWaalsContact C-N 3.35Å; T1258-Y1260 PolarHBondContact O-N 2.89Å; Y1260-D1262 VanDerWaalsContact C-N 3.32Å; Y1260-D1262 PolarHBondContact O-N 3.46Å; Y1260-E1263 PolarHBondContact O-N 3.13Å; Y1260-I1264 WeakPolarHBondContact O-CB 3.38Å; Y1260-I1264 WeakPolarHBondContact O-CD1 3.49Å; Y1260-I1264 WeakPolarHBondContact O-CG1 3.43Å; Y1260-I1264 PolarHBondContact O-N 3.37Å; Y1260-L1298 HydrophobicContact CD1-CD1 4.18Å; Y1260-L1298 HydrophobicContact CD1-CD2 3.55Å; Y1260-L1298 HydrophobicContact CE1-CD1 3.72Å; Y1260-L1298 HydrophobicContact CE1-CD2 3.94Å; Y1260-L1298 HydrophobicContact CG-CD2 4.05Å; Y1260-L1411 HydrophobicContact CE1-CD1 4.27Å; Y1260-L1415 HydrophobicContact CD1-CD2 3.99Å; Y1260-L1415 HydrophobicContact CE1-CD2 4.26Å; Y1260-L1418 HydrophobicContact CD1-CD1 4.09Å; Y1260-V1446 HydrophobicContact CD2-CG1 4.3Å; Y1260-I1449 HydrophobicContact CE2-CG2 4.33Å
1261I94Very high83.6Confident0 Ų036.4 Ų36.40%019%0.194CC..Hα-helixtrans-66.7-37.6-179.7-57.1-59.7000110.8L524 R527 T528 T1258 E1259 F1265 L1442 V1446L524-I1261 HydrophobicContact CD1-CG1 3.88Å; L524-I1261 HydrophobicContact CG-CG1 4.12Å; R527-I1261 HydrophobicContact CG-CG2 4.12Å; T528-I1261 HydrophobicContact CG2-CG2 3.52Å; T1258-I1261 PolarHBondContact O-N 3.38Å; E1259-I1261 VanDerWaalsContact C-N 3.33Å; E1259-I1261 PolarHBondContact O-N 3.44Å; I1261-F1265 HydrophobicContact CG2-CD2 4.36Å; I1261-F1265 WeakPolarHBondContact O-CD2 3.27Å; I1261-F1265 PolarHBondContact O-N 3.42Å; I1261-L1442 HydrophobicContact CD1-CB 4.41Å; I1261-V1446 HydrophobicContact CD1-CG2 4.19Å
1262D91.9Very high81.3Confident0 Ų039 Ų390%021%0.21CC..Hα-helixtrans-68.3-41.7178.3-73.7-9.4000112.2R527 T1258 E1259 Y1260 G1266 L1267 T1293 G1294R527-D1262 WeakPolarHBondContact CD-OD1 3.25Å; R527-D1262 IonicContact NE-OD1 3.77Å; T1258-D1262 PolarHBondContact O-N 2.9Å; E1259-D1262 PolarHBondContact O-N 3.47Å; Y1260-D1262 VanDerWaalsContact C-N 3.32Å; Y1260-D1262 PolarHBondContact O-N 3.46Å; D1262-G1266 PolarHBondContact O-N 2.92Å; D1262-L1267 HydrophobicContact CB-CB 4.24Å; D1262-L1267 PolarHBondContact O-N 3.35Å; D1262-T1293 WeakPolarHBondContact OD2-CA 3.13Å; D1262-T1293 PolarHBondContact OD2-N 3.16Å; D1262-T1293 PolarHBondContact OD2-OG1 3.45Å; D1262-G1294 PolarHBondContact OD2-N 3.29Å
1263E90.5Very high78.5Confident66 Ų6642.9 Ų42.931%0.30823%0.232SC..Hα-helixtrans-62-56.4174.4-173.3-167.1-177.900111.2E1259 Y1260 F1265 G1266 L1298 L1415E1259-E1263 PolarHBondContact O-N 3.01Å; Y1260-E1263 PolarHBondContact O-N 3.13Å; E1263-F1265 VanDerWaalsContact C-N 3.26Å; E1263-F1265 PolarHBondContact O-N 2.87Å; E1263-G1266 PolarHBondContact O-N 3.26Å; E1263-L1298 HydrophobicContact CB-CD2 4.25Å; E1263-L1298 WeakPolarHBondContact OE2-CD2 3.23Å; E1263-L1415 VanDerWaalsContact OE2-CD2 3.24Å; E1263-L1415 WeakPolarHBondContact OE2-CD2 3.31Å
1264I90.7Very high75.7Confident25 Ų2543.8 Ų43.813%0.12824%0.244CC..Hα-helixtrans-57.2-37.5-173.8-65.4157.2000112.5Y1260 L1418 H1422 L1442Y1260-I1264 WeakPolarHBondContact O-CB 3.38Å; Y1260-I1264 WeakPolarHBondContact O-CD1 3.49Å; Y1260-I1264 WeakPolarHBondContact O-CG1 3.43Å; Y1260-I1264 PolarHBondContact O-N 3.37Å; I1264-L1418 HydrophobicContact CD1-CB 3.65Å; I1264-L1418 HydrophobicContact CD1-CD1 4.14Å; I1264-L1418 HydrophobicContact CD1-CD2 4.02Å; I1264-L1418 HydrophobicContact CD1-CG 4.14Å; I1264-L1418 HydrophobicContact CG1-CB 4.14Å; I1264-H1422 HydrophobicContact CG2-CB 3.44Å; I1264-H1422 VanDerWaalsContact CG2-CB 3.44Å; I1264-H1422 WeakPolarHBondContact CG2-ND1 3.37Å; I1264-L1442 HydrophobicContact CD1-CD2 4.36Å
1265F89Confident73.2Confident34 Ų3449 Ų4915%0.14927%0.267CS..THydrogen-bonded Turntrans-943.1-178.8-77.6-106.9000113.3T528 I1261 E1263 L1267 H1422 L1439 L1442T528-F1265 HydrophobicContact CG2-CD1 3.79Å; T528-F1265 HydrophobicContact CG2-CD2 3.75Å; T528-F1265 HydrophobicContact CG2-CE1 3.71Å; T528-F1265 HydrophobicContact CG2-CE2 3.67Å; T528-F1265 HydrophobicContact CG2-CG 3.81Å; T528-F1265 HydrophobicContact CG2-CZ 3.65Å; I1261-F1265 HydrophobicContact CG2-CD2 4.36Å; I1261-F1265 WeakPolarHBondContact O-CD2 3.27Å; I1261-F1265 PolarHBondContact O-N 3.42Å; E1263-F1265 VanDerWaalsContact C-N 3.26Å; E1263-F1265 PolarHBondContact O-N 2.87Å; F1265-L1267 VanDerWaalsContact C-N 3.26Å; F1265-L1267 HydrophobicContact CB-CD1 4.18Å; F1265-L1267 HydrophobicContact CB-CD2 4.07Å; F1265-L1267 HydrophobicContact CB-CG 3.74Å; F1265-L1267 PolarHBondContact O-N 2.98Å; F1265-H1422 AromaticContact CD1-CE1 3.49Å; F1265-H1422 VanDerWaalsContact CD1-CE1 3.49Å; F1265-H1422 WeakPolarHBondContact CD1-CE1 3.4Å; F1265-H1422 AromaticContact CD1-ND1 3.94Å; F1265-H1422 AromaticContact CD2-CE1 3.96Å; F1265-H1422 AromaticContact CD2-ND1 3.63Å; F1265-H1422 AromaticContact CE1-CE1 3.49Å; F1265-H1422 VanDerWaalsContact CE1-CE1 3.49Å; F1265-H1422 WeakPolarHBondContact CE1-CE1 3.35Å; F1265-H1422 AromaticContact CE1-ND1 3.71Å; F1265-H1422 AromaticContact CE2-CE1 3.96Å; F1265-H1422 AromaticContact CE2-ND1 3.38Å; F1265-H1422 WeakPolarHBondContact CE2-ND1 3.09Å; F1265-H1422 AromaticContact CG-CE1 3.73Å; F1265-H1422 AromaticContact CG-ND1 3.9Å; F1265-H1422 AromaticContact CZ-CE1 3.73Å; F1265-H1422 AromaticContact CZ-ND1 3.43Å; F1265-H1422 WeakPolarHBondContact CZ-ND1 3.43Å; F1265-L1439 HydrophobicContact CZ-CD2 4.29Å; F1265-L1442 HydrophobicContact CE2-CD1 3.63Å; F1265-L1442 HydrophobicContact CZ-CD1 3.99Å
1266G85.3Confident70.3Confident20 Ų2050.6 Ų50.621%0.20628%0.278CS..THydrogen-bonded Turntrans61.933.6-177.200000112.9D1262 E1263 S1268 N1288D1262-G1266 PolarHBondContact O-N 2.92Å; E1263-G1266 PolarHBondContact O-N 3.26Å; G1266-S1268 PolarHBondContact O-N 3.44Å; G1266-N1288 PolarHBondContact O-ND2 3.44Å
1267L82.8Confident67.4Low8 Ų851.3 Ų51.34%0.04229%0.289CS..  trans-78.4118.7-179-55.4-177.3000108.9R527 D1262 F1265 A1292R527-L1267 HydrophobicContact CG-CD1 4.07Å; D1262-L1267 HydrophobicContact CB-CB 4.24Å; D1262-L1267 PolarHBondContact O-N 3.35Å; F1265-L1267 VanDerWaalsContact C-N 3.26Å; F1265-L1267 HydrophobicContact CB-CD1 4.18Å; F1265-L1267 HydrophobicContact CB-CD2 4.07Å; F1265-L1267 HydrophobicContact CB-CG 3.74Å; F1265-L1267 PolarHBondContact O-N 2.98Å; L1267-A1292 HydrophobicContact CB-CB 3.69Å
1268S65.3Low64.4Low64 Ų6456 Ų5645%0.44832%0.321SS..  trans-114.1129.2-176.7-175.40000109.9G1266 A1270 A1292G1266-S1268 PolarHBondContact O-N 3.44Å; S1268-A1270 PolarHBondContact O-N 3.24Å; S1268-A1270 VanDerWaalsContact O-N 3.16Å; S1268-A1292 VanDerWaalsContact C-CB 3.46Å
1269N59.8Low61.5Low57 Ų5761.6 Ų61.631%0.30536%0.356SS..  trans-71.6111.3-175.8-169.8-25.7000110.7Y1271 V1272 A1292 T1293N1269-Y1271 PolarHBondContact O-N 3.11Å; N1269-Y1271 PolarHBondContact OD1-N 3.26Å; N1269-V1272 HydrophobicContact CB-CG2 4.37Å; N1269-V1272 PolarHBondContact O-N 2.69Å; N1269-A1292 HydrophobicContact CB-CB 4.3Å; N1269-T1293 PolarHBondContact ND2-O 2.79Å
1270A48.3Very low58.6Low69 Ų6968.7 Ų68.757%0.5739%0.392SS*.Hα-helixtrans-56-28.2-169.500000114.3S1268 V1272 N1273S1268-A1270 PolarHBondContact O-N 3.24Å; S1268-A1270 VanDerWaalsContact O-N 3.16Å; A1270-V1272 VanDerWaalsContact C-N 3.28Å; A1270-V1272 PolarHBondContact O-N 3.22Å; A1270-N1273 PolarHBondContact O-N 2.96Å
1271Y42.1Very low55.4Low173 Ų17371.8 Ų71.868%0.67842%0.424SS*.Hα-helixtrans-63.3-29.3178.7-94.1-86.4000114N1269 N1273N1269-Y1271 PolarHBondContact O-N 3.11Å; N1269-Y1271 PolarHBondContact OD1-N 3.26Å; Y1271-N1273 VanDerWaalsContact C-N 3.28Å; Y1271-N1273 PolarHBondContact O-N 2.88Å
1272V42.4Very low52.2Low74 Ų7479 Ų7945%0.44846%0.463SS..Hα-helixtrans-70.9-27.1-176.3-175.30000111.8N1269 A1270 L1791N1269-V1272 HydrophobicContact CB-CG2 4.37Å; N1269-V1272 PolarHBondContact O-N 2.69Å; A1270-V1272 VanDerWaalsContact C-N 3.28Å; A1270-V1272 PolarHBondContact O-N 3.22Å; V1272-L1791 HydrophobicContact CG1-CD2 3.65Å
1273N35.8Very low49.2Very low85 Ų8584.4 Ų84.446%0.45549%0.492SS..Hα-helixtrans-77.8-29.6-175.4-71.5-48.3000113.7A1270 Y1271 I1275 S1276 S1277A1270-N1273 PolarHBondContact O-N 2.96Å; Y1271-N1273 VanDerWaalsContact C-N 3.28Å; Y1271-N1273 PolarHBondContact O-N 2.88Å; N1273-I1275 PolarHBondContact O-N 3.14Å; N1273-S1276 CarbonylContact O-C 3.57Å; N1273-S1276 WeakPolarHBondContact O-CA 3.36Å; N1273-S1276 WeakPolarHBondContact O-CB 3.36Å; N1273-S1276 PolarHBondContact O-N 3.31Å; N1273-S1277 PolarHBondContact O-N 3.46Å; N1273-S1277 PolarHBondContact O-OG 2.9Å; N1273-S1277 VanDerWaalsContact O-OG 3.09Å
1274N30.5Very low46.2Very low116 Ų11684.6 Ų84.662%0.6251%0.512SS*.Hα-helixtrans-75-20.4-171.8-76.7-2.4000114.9S1276N1274-S1276 PolarHBondContact O-N 3.41Å
1275I37.1Very low43.3Very low149 Ų14991.7 Ų91.776%0.76455%0.55SS**THydrogen-bonded Turntrans-75.1-9.2167.7-62.8176.9000110.8N1273N1273-I1275 PolarHBondContact O-N 3.14Å
1276S31Very low40.6Very low43 Ų4394.8 Ų94.830%0.30158%0.576SS.*SBendtrans-120.23.3-169-82.30000116.9N1273 N1274 R1788N1273-S1276 CarbonylContact O-C 3.57Å; N1273-S1276 WeakPolarHBondContact O-CA 3.36Å; N1273-S1276 WeakPolarHBondContact O-CB 3.36Å; N1273-S1276 PolarHBondContact O-N 3.31Å; N1274-S1276 PolarHBondContact O-N 3.41Å; S1276-R1788 PolarHBondContact O-NH1 3.09Å; S1276-R1788 PolarHBondContact O-NH2 2.78Å; S1276-R1788 PolarHBondContact OG-NE 3.29Å
1277S28.9Very low38.4Very low64 Ų6498.7 Ų98.745%0.44860%0.6SS.*  trans-134.526.7-168.858.30000117N1273 V1279N1273-S1277 PolarHBondContact O-N 3.46Å; N1273-S1277 PolarHBondContact O-OG 2.9Å; N1273-S1277 VanDerWaalsContact O-OG 3.09Å; S1277-V1279 PolarHBondContact O-N 2.77Å
1278S26.5Very low36.7Very low120 Ų120102.6 Ų102.684%0.83962%0.621SS**SBendtrans-77.88.8175.4590000115.7
1279V32.3Very low36Very low120 Ų120103.2 Ų103.273%0.72762%0.622SS**SBendtrans-143.5135.8173.7-1700000109.9S1277S1277-V1279 PolarHBondContact O-N 2.77Å
1280I31Very low35.9Very low153 Ų153101.4 Ų101.479%0.78562%0.617SS**SBendtrans78.1136.1-169.9-50.5170.8000112.1
1281G27.8Very low37.1Very low67 Ų67100.1 Ų100.169%0.69160%0.597SS**  trans-156.4163.2-176.500000116.2
1282N28.3Very low38.8Very low153 Ų15392.4 Ų92.482%0.81857%0.569SS**  trans69.3136.9172-75.823.6000120.5
1283N27.9Very low40.5Very low113 Ų11390.1 Ų90.160%0.60456%0.556SS**  trans73.3129.4171.2-50.7-9.9000115.5Y2156N1283-Y2156 PolarHBondContact ND2-OH 3.42Å
1284G28.2Very low42.7Very low70 Ų7087 Ų8772%0.72254%0.543SS*.  cis170.2156.6-7.800000112.5
1285N28.2Very low45.5Very low174 Ų17482.8 Ų82.893%0.9352%0.52SS*.  trans67.584.6175.5-63.10.2000118.7
1286S33.9Very low48Very low99 Ų9981.8 Ų81.869%0.69251%0.512SS*.  -135.8140.9129.3-173.30000108.8N1288S1286-N1288 PolarHBondContact O-N 2.75Å; S1286-N1288 PolarHBondContact OG-OD1 2.94Å
1287S38.1Very low50.9Low101 Ų10181 Ų8171%0.70651%0.505SS*.  trans-96.665.217558.80000110.7T1289S1287-T1289 PolarHBondContact O-N 2.96Å
1288N46.9Very low53.9Low90 Ų9078 Ų7848%0.48148%0.484SS..  trans-74.973169.7-74.543.4000109.3G1266 S1286 G1290G1266-N1288 PolarHBondContact O-ND2 3.44Å; S1286-N1288 PolarHBondContact O-N 2.75Å; S1286-N1288 PolarHBondContact OG-OD1 2.94Å; N1288-G1290 PolarHBondContact O-N 2.92Å
1289T51.3Low57Low78 Ų7876.3 Ų76.348%0.47947%0.465SS..  trans-85.580.9177.5520000110.2D531 S1287D531-T1289 WeakPolarHBondContact OD1-CA 3.44Å; D531-T1289 WeakPolarHBondContact OD1-CB 3.43Å; S1287-T1289 PolarHBondContact O-N 2.96Å
1290G58.3Low59.9Low19 Ų1976.3 Ų76.320%0.19645%0.452CS..SBendtrans-169.4153-175.600000114.4R527 D531 N1288R527-G1290 CarbonylContact O-C 3.56Å; R527-G1290 WeakPolarHBondContact O-CA 3.36Å; D531-G1290 PolarHBondContact OD1-N 3.29Å; N1288-G1290 PolarHBondContact O-N 2.92Å
1291Y73Confident62.9Low41 Ų4169 Ų6916%0.16142%0.415CS..  trans-97.594.6-172.6179.2-99.5000112.3R527 L530 P533 D568 N572 T1293R527-Y1291 VanDerWaalsContact CB-O 3.3Å; R527-Y1291 WeakPolarHBondContact CB-O 3.28Å; R527-Y1291 WeakPolarHBondContact CD-O 3.49Å; R527-Y1291 PolarHBondContact O-N 2.8Å; R527-Y1291 VanDerWaalsContact O-N 3.1Å; L530-Y1291 PolarHBondContact O-N 2.94Å; P533-Y1291 HydrophobicContact CG-CD1 4.31Å; P533-Y1291 HydrophobicContact CG-CE1 4.07Å; P533-Y1291 HydrophobicContact CG-CE2 4.33Å; D568-Y1291 PolarHBondContact O-OH 2.75Å; N572-Y1291 PolarHBondContact ND2-OH 3.22Å; Y1291-T1293 HydrophobicContact CE1-CG2 4.32Å
1292A77.6Confident66Low11 Ų1167.9 Ų67.99%0.09139%0.394CS..  trans-75.9136.1179.700000113L1267 S1268 N1269L1267-A1292 HydrophobicContact CB-CB 3.69Å; S1268-A1292 VanDerWaalsContact C-CB 3.46Å; N1269-A1292 HydrophobicContact CB-CB 4.3Å
1293T78.5Confident69Low27 Ų2765.8 Ų65.817%0.16638%0.383CS..  trans-92.8-42.516454.20000111.9N567 D1262 N1269 Y1291N567-T1293 HydrophobicContact CB-CG2 4.43Å; D1262-T1293 WeakPolarHBondContact OD2-CA 3.13Å; D1262-T1293 PolarHBondContact OD2-N 3.16Å; D1262-T1293 PolarHBondContact OD2-OG1 3.45Å; N1269-T1293 PolarHBondContact ND2-O 2.79Å; Y1291-T1293 HydrophobicContact CE1-CG2 4.32Å
1294G82.3Confident72.1Confident18 Ų1860.8 Ų60.819%0.18636%0.356CS..  trans129.6175.4-175.400000112.1E1259 D1262E1259-G1294 WeakPolarHBondContact CG-O 3.3Å; D1262-G1294 PolarHBondContact OD2-N 3.29Å
1295H89.6Confident75.1Confident28 Ų2857.7 Ų57.713%0.1332%0.323CS..  trans-143.931.5-178.639.3-86.6000113.4E1259 N1297 L1298 D1299 Q1794E1259-H1295 HydrophobicContact CB-CB 3.98Å; E1259-H1295 WeakPolarHBondContact OE2-CA 3.44Å; H1295-N1297 VanDerWaalsContact C-N 3.32Å; H1295-N1297 PolarHBondContact O-N 2.91Å; H1295-L1298 HydrophobicContact CB-CB 4.23Å; H1295-L1298 PolarHBondContact O-N 2.84Å; H1295-L1298 VanDerWaalsContact O-N 3.12Å; H1295-D1299 IonicContact CD2-OD1 3.39Å; H1295-D1299 IonicContact CD2-OD2 3.72Å; H1295-D1299 PolarHBondContact O-N 3.16Å; H1295-Q1794 PolarHBondContact CE1-NE2 3.46Å; H1295-Q1794 PolarHBondContact NE2-NE2 3.41Å
1296E88.4Confident78Confident128 Ų12852.5 Ų52.560%0.59830%0.295SS*.Hα-helixtrans-59.4-32.5-173.2-58.8-176.3156.600114.9N1107 E1259 R1300N1107-E1296 PolarHBondContact ND2-OE2 3.45Å; E1259-E1296 PolarHBondContact OE2-N 3.23Å; E1296-R1300 WeakPolarHBondContact O-CB 3.39Å; E1296-R1300 PolarHBondContact O-N 3.09Å
1297N91.4Very high80.8Confident28 Ų2853 Ų5315%0.1528%0.282CS..Hα-helixtrans-81-34.1178.5-55.4-73.9000110.8S1254 V1255 E1259 H1295 R1300 F1301S1254-N1297 PolarHBondContact O-ND2 3.19Å; S1254-N1297 PolarHBondContact OG-OD1 3.4Å; V1255-N1297 HydrophobicContact CB-CB 4.5Å; V1255-N1297 HydrophobicContact CG2-CB 4.07Å; E1259-N1297 WeakPolarHBondContact OE1-CB 3.45Å; E1259-N1297 PolarHBondContact OE1-ND2 2.62Å; E1259-N1297 WeakPolarHBondContact OE2-CA 3.21Å; E1259-N1297 WeakPolarHBondContact OE2-CB 3.26Å; E1259-N1297 PolarHBondContact OE2-N 3.22Å; E1259-N1297 PolarHBondContact OE2-ND2 2.98Å; H1295-N1297 VanDerWaalsContact C-N 3.32Å; H1295-N1297 PolarHBondContact O-N 2.91Å; N1297-R1300 WeakPolarHBondContact O-CB 3.33Å; N1297-R1300 PolarHBondContact O-N 2.92Å; N1297-F1301 PolarHBondContact O-N 2.8Å
1298L93Very high83.5Confident1 Ų148.5 Ų48.51%0.00525%0.25CC..Hα-helixtrans-68-43.9175.9-172.945.3000111.1V1255 E1259 Y1260 E1263 H1295 R1300 F1301 T1302 L1411 L1415V1255-L1298 HydrophobicContact CG1-CB 4Å; V1255-L1298 HydrophobicContact CG1-CD1 4.21Å; V1255-L1298 HydrophobicContact CG1-CD2 4.48Å; V1255-L1298 HydrophobicContact CG1-CG 4.47Å; E1259-L1298 HydrophobicContact CB-CB 4.1Å; E1259-L1298 HydrophobicContact CB-CD2 4.08Å; E1259-L1298 PolarHBondContact OE2-N 2.7Å; E1259-L1298 VanDerWaalsContact OE2-N 3.08Å; Y1260-L1298 HydrophobicContact CD1-CD1 4.18Å; Y1260-L1298 HydrophobicContact CD1-CD2 3.55Å; Y1260-L1298 HydrophobicContact CE1-CD1 3.72Å; Y1260-L1298 HydrophobicContact CE1-CD2 3.94Å; Y1260-L1298 HydrophobicContact CG-CD2 4.05Å; E1263-L1298 HydrophobicContact CB-CD2 4.25Å; E1263-L1298 WeakPolarHBondContact OE2-CD2 3.23Å; H1295-L1298 HydrophobicContact CB-CB 4.23Å; H1295-L1298 PolarHBondContact O-N 2.84Å; H1295-L1298 VanDerWaalsContact O-N 3.12Å; L1298-R1300 VanDerWaalsContact C-N 3.33Å; L1298-R1300 PolarHBondContact O-N 3.07Å; L1298-F1301 PolarHBondContact O-N 3.36Å; L1298-F1301 VanDerWaalsContact O-N 3.12Å; L1298-T1302 PolarHBondContact O-N 3.12Å; L1298-T1302 PolarHBondContact O-OG1 2.61Å; L1298-L1411 HydrophobicContact CD1-CD1 3.91Å; L1298-L1411 HydrophobicContact CD1-CD2 4.22Å; L1298-L1415 HydrophobicContact CD1-CD2 4.47Å
1299D91.6Very high85.7Confident83 Ų8344.7 Ų44.744%0.44423%0.231SC..Hα-helixtrans-52.8-50.4168.1-76-31.6000110.9H1295 F1301 T1302 D1303H1295-D1299 IonicContact CD2-OD1 3.39Å; H1295-D1299 IonicContact CD2-OD2 3.72Å; H1295-D1299 PolarHBondContact O-N 3.16Å; D1299-F1301 VanDerWaalsContact C-N 3.27Å; D1299-F1301 PolarHBondContact O-N 3.47Å; D1299-T1302 PolarHBondContact O-N 3.41Å; D1299-D1303 PolarHBondContact O-N 2.91Å
1300R92.1Very high87.7Confident120 Ų12043.7 Ų43.745%0.45322%0.219SC..Hα-helixtrans-61-32.7178.4179-179.9176.3172.80.3113.1I1251 E1296 N1297 L1298 L1304I1251-R1300 HydrophobicContact CG2-CG 4.36Å; E1296-R1300 WeakPolarHBondContact O-CB 3.39Å; E1296-R1300 PolarHBondContact O-N 3.09Å; N1297-R1300 WeakPolarHBondContact O-CB 3.33Å; N1297-R1300 PolarHBondContact O-N 2.92Å; L1298-R1300 VanDerWaalsContact C-N 3.33Å; L1298-R1300 PolarHBondContact O-N 3.07Å; R1300-L1304 PolarHBondContact O-N 3.46Å
1301F94.8Very high89.5Confident1 Ų142.9 Ų42.90%0.00421%0.21CC..Hα-helixtrans-76.3-40.1176-167.8-153.9000111.3I1251 F1252 V1255 N1297 L1298 D1299 L1304 V1305 L1408 L1411I1251-F1301 HydrophobicContact CG2-CB 3.77Å; I1251-F1301 HydrophobicContact CG2-CD2 4.06Å; I1251-F1301 HydrophobicContact CG2-CG 4.13Å; F1252-F1301 HydrophobicContact CB-CD1 4.39Å; F1252-F1301 HydrophobicContact CB-CE1 3.93Å; F1252-F1301 HydrophobicContact CB-CE2 4.47Å; F1252-F1301 HydrophobicContact CB-CZ 3.98Å; F1252-F1301 HydrophobicContact CD2-CD1 4.13Å; F1252-F1301 AromaticContact CD2-CE1 3.52Å; F1252-F1301 HydrophobicContact CD2-CE1 3.52Å; F1252-F1301 HydrophobicContact CD2-CZ 4.23Å; F1252-F1301 HydrophobicContact CE2-CE1 4.38Å; F1252-F1301 HydrophobicContact CG-CE1 4.05Å; F1252-F1301 HydrophobicContact CG-CZ 4.34Å; V1255-F1301 HydrophobicContact CG2-CB 4.31Å; V1255-F1301 HydrophobicContact CG2-CD1 4.39Å; N1297-F1301 PolarHBondContact O-N 2.8Å; L1298-F1301 PolarHBondContact O-N 3.36Å; L1298-F1301 VanDerWaalsContact O-N 3.12Å; D1299-F1301 VanDerWaalsContact C-N 3.27Å; D1299-F1301 PolarHBondContact O-N 3.47Å; F1301-L1304 HydrophobicContact CD2-CD2 4.39Å; F1301-L1304 HydrophobicContact CE2-CD2 4.39Å; F1301-L1304 WeakPolarHBondContact O-CB 3.35Å; F1301-L1304 PolarHBondContact O-N 2.77Å; F1301-L1304 VanDerWaalsContact O-N 3.17Å; F1301-V1305 HydrophobicContact CD2-CG2 4.33Å; F1301-V1305 HydrophobicContact CE2-CG2 4.26Å; F1301-V1305 VanDerWaalsContact O-CG2 3.26Å; F1301-V1305 WeakPolarHBondContact O-CG2 3.45Å; F1301-V1305 PolarHBondContact O-N 2.9Å; F1301-L1408 HydrophobicContact CZ-CD1 4.44Å; F1301-L1411 HydrophobicContact CB-CD2 4.16Å; F1301-L1411 HydrophobicContact CD1-CB 4.29Å; F1301-L1411 HydrophobicContact CD1-CD1 3.93Å; F1301-L1411 HydrophobicContact CD1-CD2 3.6Å; F1301-L1411 HydrophobicContact CD1-CG 4.14Å; F1301-L1411 HydrophobicContact CE1-CB 3.92Å; F1301-L1411 HydrophobicContact CE1-CD1 4.01Å; F1301-L1411 HydrophobicContact CE1-CD2 4.11Å; F1301-L1411 HydrophobicContact CE1-CG 4.23Å; F1301-L1411 HydrophobicContact CG-CD2 3.92Å; F1301-L1411 HydrophobicContact CZ-CB 4.35Å
1302T92.4Very high90.6Very high42 Ų4241 Ų4126%0.25820%0.202SC..Hα-helixtrans-60.6-43.6172.5-660000112L1298 D1299 L1304 V1305 N1306 L1411L1298-T1302 PolarHBondContact O-N 3.12Å; L1298-T1302 PolarHBondContact O-OG1 2.61Å; D1299-T1302 PolarHBondContact O-N 3.41Å; T1302-L1304 VanDerWaalsContact C-N 3.31Å; T1302-L1304 PolarHBondContact O-N 3.25Å; T1302-V1305 PolarHBondContact O-N 3.04Å; T1302-N1306 WeakPolarHBondContact O-CB 3.32Å; T1302-N1306 VanDerWaalsContact O-CG 3.31Å; T1302-N1306 PolarHBondContact O-N 2.84Å; T1302-N1306 PolarHBondContact O-ND2 2.95Å; T1302-N1306 VanDerWaalsContact O-ND2 3.11Å; T1302-L1411 WeakPolarHBondContact OG1-CD2 3.15Å
1303D90.9Very high91.5Very high110 Ų11040.4 Ų40.459%0.58820%0.198SC*.Hα-helixtrans-60.9-38.1173.2-96.2-7.9000112.5D1299 R1307D1299-D1303 PolarHBondContact O-N 2.91Å; D1303-R1307 VanDerWaalsContact O-CB 3.28Å; D1303-R1307 WeakPolarHBondContact O-CB 3.48Å; D1303-R1307 PolarHBondContact O-N 3.25Å
1304L93.1Very high92.3Very high7 Ų739.3 Ų39.34%0.03719%0.191CC..Hα-helixtrans-64.6-49.1175.1-178.3149.8000111.3D1248 I1251 R1300 F1301 T1302 N1306 R1307 E1308D1248-L1304 WeakPolarHBondContact OD1-CD1 3.4Å; D1248-L1304 WeakPolarHBondContact OD1-CD2 3.49Å; D1248-L1304 VanDerWaalsContact OD2-CD2 3.32Å; D1248-L1304 WeakPolarHBondContact OD2-CD2 3.45Å; I1251-L1304 HydrophobicContact CD1-CD1 3.55Å; R1300-L1304 PolarHBondContact O-N 3.46Å; F1301-L1304 HydrophobicContact CD2-CD2 4.39Å; F1301-L1304 HydrophobicContact CE2-CD2 4.39Å; F1301-L1304 WeakPolarHBondContact O-CB 3.35Å; F1301-L1304 PolarHBondContact O-N 2.77Å; F1301-L1304 VanDerWaalsContact O-N 3.17Å; T1302-L1304 VanDerWaalsContact C-N 3.31Å; T1302-L1304 PolarHBondContact O-N 3.25Å; L1304-N1306 VanDerWaalsContact C-N 3.33Å; L1304-N1306 PolarHBondContact O-N 3.12Å; L1304-R1307 WeakPolarHBondContact O-CB 3.39Å; L1304-R1307 PolarHBondContact O-N 2.94Å; L1304-R1307 VanDerWaalsContact O-N 3.12Å; L1304-E1308 HydrophobicContact CD2-CG 4.01Å; L1304-E1308 WeakPolarHBondContact O-CG 3.42Å; L1304-E1308 PolarHBondContact O-N 2.93Å
1305V92.2Very high93Very high5 Ų540.8 Ų40.83%0.0319%0.193CC..Hα-helixtrans-55.5-48.9177.7170.20000110.6F1301 T1302 R1307 E1308 A1309 N1346 Y1410 L1411 P1412F1301-V1305 HydrophobicContact CD2-CG2 4.33Å; F1301-V1305 HydrophobicContact CE2-CG2 4.26Å; F1301-V1305 VanDerWaalsContact O-CG2 3.26Å; F1301-V1305 WeakPolarHBondContact O-CG2 3.45Å; F1301-V1305 PolarHBondContact O-N 2.9Å; T1302-V1305 PolarHBondContact O-N 3.04Å; V1305-R1307 PolarHBondContact O-N 3.33Å; V1305-E1308 PolarHBondContact O-N 3.35Å; V1305-A1309 WeakPolarHBondContact O-CB 3.08Å; V1305-A1309 PolarHBondContact O-N 2.79Å; V1305-N1346 WeakPolarHBondContact CG2-OD1 3.05Å; V1305-Y1410 HydrophobicContact CG1-CE2 4.4Å; V1305-L1411 HydrophobicContact CG2-CB 4.05Å; V1305-L1411 HydrophobicContact CG2-CD2 4.17Å; V1305-P1412 HydrophobicContact CG1-CG 3.78Å
1306N89.7Confident93.3Very high65 Ų6539.5 Ų39.535%0.34819%0.187SC..Hα-helixtrans-61-43.1176.8-71.5-35.7000111.9T1302 L1304 A1309 Y1310T1302-N1306 WeakPolarHBondContact O-CB 3.32Å; T1302-N1306 VanDerWaalsContact O-CG 3.31Å; T1302-N1306 PolarHBondContact O-N 2.84Å; T1302-N1306 PolarHBondContact O-ND2 2.95Å; T1302-N1306 VanDerWaalsContact O-ND2 3.11Å; L1304-N1306 VanDerWaalsContact C-N 3.33Å; L1304-N1306 PolarHBondContact O-N 3.12Å; N1306-A1309 PolarHBondContact O-N 2.78Å; N1306-Y1310 VanDerWaalsContact O-CD2 3.31Å; N1306-Y1310 WeakPolarHBondContact O-CD2 3.32Å; N1306-Y1310 PolarHBondContact O-N 3.44Å
1307R92.6Very high93.6Very high111 Ų11133.4 Ų33.442%0.41916%0.159SC..Hα-helixtrans-63.9-39.3177.4-174.4-171.467.1-166.3-2.6112.3D1303 L1304 V1305 W1311 V1644D1303-R1307 VanDerWaalsContact O-CB 3.28Å; D1303-R1307 WeakPolarHBondContact O-CB 3.48Å; D1303-R1307 PolarHBondContact O-N 3.25Å; L1304-R1307 WeakPolarHBondContact O-CB 3.39Å; L1304-R1307 PolarHBondContact O-N 2.94Å; L1304-R1307 VanDerWaalsContact O-N 3.12Å; V1305-R1307 PolarHBondContact O-N 3.33Å; R1307-W1311 PolarHBondContact O-N 3.35Å; R1307-V1644 HydrophobicContact CG-CG2 3.79Å
1308E94.6Very high93.8Very high5 Ų536.2 Ų36.22%0.02317%0.174CC..Hα-helixtrans-69.6-42.5176.8-68.1-134115.400112.3L1244 L1304 V1305 Y1310 W1311 T1347 C1350L1244-E1308 WeakPolarHBondContact CD2-OE1 3.27Å; L1304-E1308 HydrophobicContact CD2-CG 4.01Å; L1304-E1308 WeakPolarHBondContact O-CG 3.42Å; L1304-E1308 PolarHBondContact O-N 2.93Å; V1305-E1308 PolarHBondContact O-N 3.35Å; E1308-Y1310 VanDerWaalsContact C-N 3.33Å; E1308-Y1310 PolarHBondContact O-N 2.71Å; E1308-W1311 VanDerWaalsContact O-CB 3.32Å; E1308-W1311 WeakPolarHBondContact O-CB 3.29Å; E1308-W1311 PolarHBondContact O-N 3.01Å; E1308-W1311 VanDerWaalsContact O-N 3.12Å; E1308-T1347 VanDerWaalsContact OE2-CA 3.23Å; E1308-T1347 WeakPolarHBondContact OE2-CA 3.44Å; E1308-T1347 WeakPolarHBondContact OE2-CB 3.43Å; E1308-T1347 VanDerWaalsContact OE2-CG2 3.25Å; E1308-T1347 WeakPolarHBondContact OE2-CG2 3.35Å; E1308-T1347 PolarHBondContact OE2-OG1 2.98Å; E1308-C1350 HydrophobicContact CB-CB 3.66Å
1309A91.7Very high93.9Very high11 Ų1138 Ų389%0.09118%0.183CC..Hα-helixtrans-61.2-39.4-177.800000112.9V1305 N1306 P1313 C1350 G1354V1305-A1309 WeakPolarHBondContact O-CB 3.08Å; V1305-A1309 PolarHBondContact O-N 2.79Å; N1306-A1309 PolarHBondContact O-N 2.78Å; A1309-P1313 WeakPolarHBondContact O-CD 3.24Å; A1309-C1350 WeakPolarHBondContact CA-O 3.42Å; A1309-C1350 HydrophobicContact CB-CB 4.31Å; A1309-G1354 WeakPolarHBondContact O-CA 3.46Å
1310Y94.7Very high93.9Very high57 Ų5739.2 Ų39.222%0.22419%0.193CC..THydrogen-bonded Turntrans-87.2-5.1177.1-70.1-72.8000114.2N1306 E1308 T1314 Q1357 Q1646 L1651N1306-Y1310 VanDerWaalsContact O-CD2 3.31Å; N1306-Y1310 WeakPolarHBondContact O-CD2 3.32Å; N1306-Y1310 PolarHBondContact O-N 3.44Å; E1308-Y1310 VanDerWaalsContact C-N 3.33Å; E1308-Y1310 PolarHBondContact O-N 2.71Å; Y1310-T1314 WeakPolarHBondContact O-CB 3.44Å; Y1310-T1314 PolarHBondContact O-N 2.92Å; Y1310-T1314 PolarHBondContact O-OG1 2.76Å; Y1310-Q1357 VanDerWaalsContact CE1-NE2 3.33Å; Y1310-Q1646 HydrophobicContact CD2-CB 4.09Å; Y1310-Q1646 HydrophobicContact CD2-CG 3.8Å; Y1310-Q1646 HydrophobicContact CE2-CB 4.26Å; Y1310-Q1646 HydrophobicContact CE2-CG 4.36Å; Y1310-Q1646 HydrophobicContact CG-CB 4.46Å; Y1310-Q1646 HydrophobicContact CG-CG 4.27Å; Y1310-L1651 HydrophobicContact CD1-CD1 3.86Å; Y1310-L1651 HydrophobicContact CE1-CD1 4.34Å
1311W95.6Very high94Very high2 Ų237 Ų371%0.00819%0.19CC..Hα-helixtrans-64-53.8-178.7170.629.4000112.6F1232 L1240 L1244 R1307 E1308 T1314 E1315 F1332 L1335 L1351 Y1638 F1639 L1642F1232-W1311 HydrophobicContact CD2-CH2 4.32Å; F1232-W1311 AromaticContact CD2-CZ2 3.64Å; F1232-W1311 HydrophobicContact CD2-CZ2 3.64Å; F1232-W1311 AromaticContact CE2-CH2 3.8Å; F1232-W1311 HydrophobicContact CE2-CH2 3.8Å; F1232-W1311 AromaticContact CE2-CZ2 3.5Å; F1232-W1311 HydrophobicContact CE2-CZ2 3.5Å; F1232-W1311 VanDerWaalsContact CE2-CZ2 3.5Å; F1232-W1311 HydrophobicContact CZ-CZ2 4.4Å; L1240-W1311 HydrophobicContact CD2-CH2 4.2Å; L1244-W1311 HydrophobicContact CD1-CH2 4.12Å; L1244-W1311 HydrophobicContact CD1-CZ3 3.81Å; R1307-W1311 PolarHBondContact O-N 3.35Å; E1308-W1311 VanDerWaalsContact O-CB 3.32Å; E1308-W1311 WeakPolarHBondContact O-CB 3.29Å; E1308-W1311 PolarHBondContact O-N 3.01Å; E1308-W1311 VanDerWaalsContact O-N 3.12Å; W1311-T1314 PolarHBondContact O-N 3.09Å; W1311-T1314 VanDerWaalsContact O-N 3.13Å; W1311-E1315 PolarHBondContact O-N 3.07Å; W1311-F1332 AromaticContact CD2-CE1 3.99Å; W1311-F1332 HydrophobicContact CD2-CE1 3.99Å; W1311-F1332 AromaticContact CE2-CE1 3.75Å; W1311-F1332 HydrophobicContact CE3-CE1 4.3Å; W1311-F1332 HydrophobicContact CH2-CE1 4.19Å; W1311-F1332 AromaticContact CZ2-CE1 3.87Å; W1311-F1332 HydrophobicContact CZ2-CE1 3.87Å; W1311-F1332 HydrophobicContact CZ2-CZ 4.43Å; W1311-F1332 HydrophobicContact CZ3-CE1 4.4Å; W1311-L1335 HydrophobicContact CH2-CD2 3.54Å; W1311-L1335 HydrophobicContact CZ3-CD2 3.73Å; W1311-L1351 HydrophobicContact CE3-CD2 3.97Å; W1311-L1351 HydrophobicContact CZ3-CD2 4.17Å; W1311-Y1638 AromaticContact CZ2-CE1 3.78Å; W1311-Y1638 HydrophobicContact CZ2-CE1 3.78Å; W1311-Y1638 AromaticContact NE1-CE1 3.86Å; W1311-Y1638 AromaticContact NE1-CZ 3.79Å; W1311-Y1638 PolarHBondContact NE1-OH 2.93Å; W1311-F1639 HydrophobicContact CD2-CE1 4.21Å; W1311-F1639 AromaticContact CE2-CE1 3.95Å; W1311-F1639 HydrophobicContact CE3-CE1 4.24Å; W1311-F1639 AromaticContact CH2-CE1 3.81Å; W1311-F1639 HydrophobicContact CH2-CE1 3.81Å; W1311-F1639 AromaticContact CH2-CZ 3.62Å; W1311-F1639 HydrophobicContact CH2-CZ 3.62Å; W1311-F1639 AromaticContact CZ2-CE1 3.75Å; W1311-F1639 HydrophobicContact CZ2-CE1 3.75Å; W1311-F1639 AromaticContact CZ2-CZ 3.93Å; W1311-F1639 HydrophobicContact CZ2-CZ 3.93Å; W1311-F1639 HydrophobicContact CZ3-CE1 4.05Å; W1311-F1639 HydrophobicContact CZ3-CZ 4.03Å; W1311-L1642 HydrophobicContact CB-CD2 4.42Å; W1311-L1642 VanDerWaalsContact CD1-CD2 3.47Å; W1311-L1642 HydrophobicContact CD2-CD2 4.42Å; W1311-L1642 HydrophobicContact CG-CD2 3.86Å
1312A96.3Very high94Very high0 Ų038.3 Ų38.30%020%0.197CC..Hα-helixtrans-62.1-45.9179.800000112.9T1314 E1315 I1316 F1332 L1351 L1355A1312-T1314 VanDerWaalsContact C-N 3.3Å; A1312-T1314 PolarHBondContact O-N 3.42Å; A1312-E1315 PolarHBondContact O-N 2.91Å; A1312-I1316 WeakPolarHBondContact O-CB 3.19Å; A1312-I1316 VanDerWaalsContact O-CG1 3.27Å; A1312-I1316 WeakPolarHBondContact O-CG1 3.34Å; A1312-I1316 PolarHBondContact O-N 2.91Å; A1312-F1332 HydrophobicContact CB-CD1 3.88Å; A1312-F1332 HydrophobicContact CB-CD2 4.06Å; A1312-F1332 HydrophobicContact CB-CE1 3.92Å; A1312-F1332 HydrophobicContact CB-CE2 4.1Å; A1312-F1332 HydrophobicContact CB-CG 3.96Å; A1312-F1332 HydrophobicContact CB-CZ 4.03Å; A1312-L1351 HydrophobicContact CB-CD2 4.11Å; A1312-L1355 HydrophobicContact CB-CD2 4.49Å
1313P96.1Very high94.2Very high0 Ų041.1 Ų41.10%021%0.21CC..Hα-helixtrans-50.7-46.4167.5-28.432.5000113.4A1309 C1317 G1354 Q1357 V1360 L1651A1309-P1313 WeakPolarHBondContact O-CD 3.24Å; P1313-C1317 WeakPolarHBondContact O-CB 3.37Å; P1313-C1317 PolarHBondContact O-N 3.48Å; P1313-C1317 PolarHBondContact O-SG 3.46Å; P1313-C1317 VanDerWaalsContact O-SG 3.4Å; P1313-G1354 WeakPolarHBondContact CG-O 3.2Å; P1313-Q1357 HydrophobicContact CG-CG 4.32Å; P1313-Q1357 VanDerWaalsContact CG-OE1 3.31Å; P1313-V1360 HydrophobicContact CB-CG2 4.14Å; P1313-V1360 HydrophobicContact CG-CG2 4.33Å; P1313-L1651 HydrophobicContact CB-CD1 3.84Å; P1313-L1651 HydrophobicContact CB-CD2 4.06Å
1314T95.9Very high94.3Very high4 Ų443.1 Ų43.13%0.02521%0.21CC..Hα-helixtrans-65.1-45.2-176.2-58.60000112.3Y1310 W1311 A1312 N1318 R1643 V1645Y1310-T1314 WeakPolarHBondContact O-CB 3.44Å; Y1310-T1314 PolarHBondContact O-N 2.92Å; Y1310-T1314 PolarHBondContact O-OG1 2.76Å; W1311-T1314 PolarHBondContact O-N 3.09Å; W1311-T1314 VanDerWaalsContact O-N 3.13Å; A1312-T1314 VanDerWaalsContact C-N 3.3Å; A1312-T1314 PolarHBondContact O-N 3.42Å; T1314-N1318 WeakPolarHBondContact O-CB 3.49Å; T1314-N1318 PolarHBondContact O-N 3.45Å; T1314-N1318 PolarHBondContact O-ND2 3.1Å; T1314-R1643 WeakPolarHBondContact CG2-O 3.27Å; T1314-V1645 HydrophobicContact CG2-CB 4.29Å; T1314-V1645 HydrophobicContact CG2-CG2 3.97Å; T1314-V1645 PolarHBondContact OG1-N 2.8Å
1315E95.6Very high94.5Very high48 Ų4843 Ų4322%0.22421%0.208CC..Hα-helixtrans-67.4-46.3178-77.2-80.8165.900111.5W1311 A1312 N1318 E1319 F1332 Y1638W1311-E1315 PolarHBondContact O-N 3.07Å; A1312-E1315 PolarHBondContact O-N 2.91Å; E1315-N1318 PolarHBondContact O-N 3.01Å; E1315-E1319 PolarHBondContact O-N 3.23Å; E1315-F1332 HydrophobicContact CB-CE2 3.91Å; E1315-F1332 HydrophobicContact CB-CZ 3.9Å; E1315-F1332 HydrophobicContact CG-CZ 4.15Å; E1315-Y1638 WeakPolarHBondContact CG-OH 3.49Å; E1315-Y1638 WeakPolarHBondContact OE1-CE2 3.39Å; E1315-Y1638 PolarHBondContact OE1-OH 3.03Å
1316I96.8Very high94.7Very high1 Ų143.4 Ų43.41%0.00521%0.211CC..Hα-helixtrans-64.6-44.1-178.4-67170.5000111.2A1312 N1318 R1325 L1328 L1329 F1332 L1355 V1360 L1363A1312-I1316 WeakPolarHBondContact O-CB 3.19Å; A1312-I1316 VanDerWaalsContact O-CG1 3.27Å; A1312-I1316 WeakPolarHBondContact O-CG1 3.34Å; A1312-I1316 PolarHBondContact O-N 2.91Å; I1316-N1318 VanDerWaalsContact C-N 3.27Å; I1316-N1318 PolarHBondContact O-N 2.9Å; I1316-R1325 HydrophobicContact CG2-CG 3.82Å; I1316-R1325 WeakPolarHBondContact O-CD 3.5Å; I1316-L1328 HydrophobicContact CG1-CB 4.4Å; I1316-L1329 HydrophobicContact CD1-CD1 4.31Å; I1316-F1332 HydrophobicContact CD1-CD2 4.02Å; I1316-F1332 HydrophobicContact CD1-CE2 4.41Å; I1316-F1332 HydrophobicContact CG1-CD2 4.17Å; I1316-F1332 HydrophobicContact CG1-CE2 4.14Å; I1316-L1355 HydrophobicContact CD1-CD2 3.5Å; I1316-L1355 VanDerWaalsContact CD1-CD2 3.5Å; I1316-V1360 HydrophobicContact CD1-CG1 4.16Å; I1316-V1360 HydrophobicContact CG2-CG1 4.32Å; I1316-L1363 HydrophobicContact CG2-CD1 3.68Å
1317C95.4Very high95Very high0 Ų044 Ų440%021%0.214CC..THydrogen-bonded Turntrans-78.6-2.1179-62.80000114P1313 L1651 L1654 I1658P1313-C1317 WeakPolarHBondContact O-CB 3.37Å; P1313-C1317 PolarHBondContact O-N 3.48Å; P1313-C1317 PolarHBondContact O-SG 3.46Å; P1313-C1317 VanDerWaalsContact O-SG 3.4Å; C1317-L1651 HydrophobicContact CB-CD2 4.26Å; C1317-L1654 HydrophobicContact CB-CB 4.03Å; C1317-L1654 WeakPolarHBondContact O-CB 3.24Å; C1317-I1658 WeakPolarHBondContact O-CD1 3.17Å
1318N94Very high95.2Very high88 Ų8839 Ų3947%0.47120%0.196SC..THydrogen-bonded Turntrans-101.2-23.3169.4-82.1-69.9000113.6T1314 E1315 I1316 T1320T1314-N1318 WeakPolarHBondContact O-CB 3.49Å; T1314-N1318 PolarHBondContact O-N 3.45Å; T1314-N1318 PolarHBondContact O-ND2 3.1Å; E1315-N1318 PolarHBondContact O-N 3.01Å; I1316-N1318 VanDerWaalsContact C-N 3.27Å; I1316-N1318 PolarHBondContact O-N 2.9Å; N1318-T1320 PolarHBondContact O-N 3.35Å; N1318-T1320 VanDerWaalsContact O-N 3.1Å
1319E94.8Very high95.4Very high39 Ų3938.8 Ų38.818%0.18220%0.195CC..  trans-81.194.7179.4-178.550.4-8000112.3E1315 N1321 R1324 R1325 L1328E1315-E1319 PolarHBondContact O-N 3.23Å; E1319-N1321 PolarHBondContact O-N 2.95Å; E1319-N1321 WeakPolarHBondContact OE1-CB 3.48Å; E1319-N1321 PolarHBondContact OE1-N 3.31Å; E1319-R1324 HydrophobicContact CG-CB 3.61Å; E1319-R1324 WeakPolarHBondContact OE2-CD 3.39Å; E1319-R1324 IonicContact OE2-NE 3.79Å; E1319-R1324 IonicContact OE2-NH1 3.81Å; E1319-R1324 PolarHBondContact OE2-NH1 3.13Å; E1319-R1325 HydrophobicContact CG-CB 4.31Å; E1319-R1325 WeakPolarHBondContact O-CD 3.4Å; E1319-R1325 PolarHBondContact O-NH1 3.03Å; E1319-L1328 HydrophobicContact CB-CD1 3.48Å; E1319-L1328 VanDerWaalsContact CB-CD1 3.48Å; E1319-L1328 HydrophobicContact CG-CD1 3.93Å
1320T93.1Very high95.6Very high108 Ų10841.2 Ų41.266%0.66320%0.204SC*.  trans-54.8-33.9176.159.90000114.1N1318 L1322 R1325 I1658N1318-T1320 PolarHBondContact O-N 3.35Å; N1318-T1320 VanDerWaalsContact O-N 3.1Å; T1320-L1322 PolarHBondContact O-N 3.01Å; T1320-R1325 PolarHBondContact O-NH1 3.1Å; T1320-I1658 HydrophobicContact CG2-CD1 4.43Å; T1320-I1658 HydrophobicContact CG2-CG1 4.4Å
1321N94.6Very high95.6Very high72 Ų7241.4 Ų41.439%0.38520%0.204SC..  trans-78.9113.8-175.3-176-83.6000111.7E1319 N1323 R1324 R1325E1319-N1321 PolarHBondContact O-N 2.95Å; E1319-N1321 WeakPolarHBondContact OE1-CB 3.48Å; E1319-N1321 PolarHBondContact OE1-N 3.31Å; N1321-N1323 PolarHBondContact O-N 2.77Å; N1321-N1323 PolarHBondContact OD1-N 3.43Å; N1321-R1324 HydrophobicContact CB-CB 4.17Å; N1321-R1324 HydrophobicContact CB-CG 4.23Å; N1321-R1324 PolarHBondContact O-N 2.95Å; N1321-R1324 VanDerWaalsContact O-N 3.14Å; N1321-R1324 PolarHBondContact OD1-N 2.9Å; N1321-R1324 VanDerWaalsContact OD1-N 3.08Å; N1321-R1325 WeakPolarHBondContact O-CB 3.41Å; N1321-R1325 PolarHBondContact O-N 2.88Å
1322L94Very high95.7Very high30 Ų3041.3 Ų41.316%0.15720%0.203CC..Hα-helixtrans-50.7-48.9-177.1177.457.1000113.7T1320 R1324 R1325 V1326 Q1365T1320-L1322 PolarHBondContact O-N 3.01Å; L1322-R1324 PolarHBondContact O-N 3.4Å; L1322-R1325 WeakPolarHBondContact O-CB 3.45Å; L1322-R1325 PolarHBondContact O-N 3.46Å; L1322-R1325 VanDerWaalsContact O-N 3.16Å; L1322-V1326 HydrophobicContact CD1-CG2 4.32Å; L1322-V1326 WeakPolarHBondContact O-CG2 3.5Å; L1322-V1326 PolarHBondContact O-N 3.05Å; L1322-Q1365 HydrophobicContact CD1-CB 4.26Å; L1322-Q1365 WeakPolarHBondContact CD1-O 3.43Å; L1322-Q1365 HydrophobicContact CD2-CB 4.35Å
1323N95.5Very high95.8Very high100 Ų10041.3 Ų41.354%0.53520%0.203SC..Hα-helixtrans-65.2-39.7-177.4-64.9-2.3000111.9N1321 D1327N1321-N1323 PolarHBondContact O-N 2.77Å; N1321-N1323 PolarHBondContact OD1-N 3.43Å; N1323-D1327 PolarHBondContact O-N 3.03Å; N1323-D1327 VanDerWaalsContact O-N 3.13Å
1324R94.9Very high95.9Very high153 Ų15345.4 Ų45.458%0.57722%0.221SC*.Hα-helixtrans-67-38.3173.4-68.9-177.2178.3-178.2-0.5112.1E1319 N1321 L1322 V1326 D1327 L1328E1319-R1324 HydrophobicContact CG-CB 3.61Å; E1319-R1324 WeakPolarHBondContact OE2-CD 3.39Å; E1319-R1324 IonicContact OE2-NE 3.79Å; E1319-R1324 IonicContact OE2-NH1 3.81Å; E1319-R1324 PolarHBondContact OE2-NH1 3.13Å; N1321-R1324 HydrophobicContact CB-CB 4.17Å; N1321-R1324 HydrophobicContact CB-CG 4.23Å; N1321-R1324 PolarHBondContact O-N 2.95Å; N1321-R1324 VanDerWaalsContact O-N 3.14Å; N1321-R1324 PolarHBondContact OD1-N 2.9Å; N1321-R1324 VanDerWaalsContact OD1-N 3.08Å; L1322-R1324 PolarHBondContact O-N 3.4Å; R1324-V1326 VanDerWaalsContact C-N 3.34Å; R1324-V1326 PolarHBondContact O-N 3.47Å; R1324-D1327 CarbonylContact O-C 3.48Å; R1324-D1327 WeakPolarHBondContact O-CA 3.47Å; R1324-D1327 PolarHBondContact O-N 3.42Å; R1324-D1327 VanDerWaalsContact O-N 3.11Å; R1324-L1328 WeakPolarHBondContact O-CG 3.46Å; R1324-L1328 PolarHBondContact O-N 2.72Å
1325R96.4Very high95.9Very high3 Ų345.3 Ų45.31%0.01122%0.22CC..Hα-helixtrans-64.2-37.6177.8-166.8170.456.5-106.89.8112.1I1316 E1319 T1320 N1321 L1322 L1328 L1329 T1366 E1659I1316-R1325 HydrophobicContact CG2-CG 3.82Å; I1316-R1325 WeakPolarHBondContact O-CD 3.5Å; E1319-R1325 HydrophobicContact CG-CB 4.31Å; E1319-R1325 WeakPolarHBondContact O-CD 3.4Å; E1319-R1325 PolarHBondContact O-NH1 3.03Å; T1320-R1325 PolarHBondContact O-NH1 3.1Å; N1321-R1325 WeakPolarHBondContact O-CB 3.41Å; N1321-R1325 PolarHBondContact O-N 2.88Å; L1322-R1325 WeakPolarHBondContact O-CB 3.45Å; L1322-R1325 PolarHBondContact O-N 3.46Å; L1322-R1325 VanDerWaalsContact O-N 3.16Å; R1325-L1328 WeakPolarHBondContact O-CB 3.39Å; R1325-L1328 PolarHBondContact O-N 2.67Å; R1325-L1329 PolarHBondContact O-N 3.47Å; R1325-T1366 HydrophobicContact CB-CG2 4.38Å; R1325-T1366 HydrophobicContact CG-CG2 3.95Å; R1325-T1366 PolarHBondContact NE-OG1 3.38Å; R1325-T1366 PolarHBondContact NH2-OG1 3.38Å; R1325-E1659 IonicContact CZ-OE1 3.9Å; R1325-E1659 IonicContact NE-OE1 2.75Å; R1325-E1659 IonicContact NH2-OE1 2.95Å; R1325-E1659 PolarHBondContact NH2-OE1 3.02Å
1326V97.1Very high96Very high14 Ų1443 Ų439%0.08521%0.21CC..Hα-helixtrans-61.8-44.5168.5175.40000111.2L1322 R1324 L1328 L1329 K1330 T1366 R1369L1322-V1326 HydrophobicContact CD1-CG2 4.32Å; L1322-V1326 WeakPolarHBondContact O-CG2 3.5Å; L1322-V1326 PolarHBondContact O-N 3.05Å; R1324-V1326 VanDerWaalsContact C-N 3.34Å; R1324-V1326 PolarHBondContact O-N 3.47Å; V1326-L1328 VanDerWaalsContact C-N 3.35Å; V1326-L1328 PolarHBondContact O-N 2.79Å; V1326-L1329 PolarHBondContact O-N 2.95Å; V1326-K1330 WeakPolarHBondContact O-CB 3.27Å; V1326-K1330 PolarHBondContact O-N 2.85Å; V1326-T1366 HydrophobicContact CG2-CG2 4Å; V1326-R1369 WeakPolarHBondContact CG1-O 3.42Å; V1326-R1369 HydrophobicContact CG2-CB 3.78Å
1327D95.8Very high96Very high77 Ų7747.1 Ų47.141%0.41223%0.228SC..Hα-helixtrans-66.7-30.4175.7-89.5-33.2000113.4N1323 R1324 K1330 R1331N1323-D1327 PolarHBondContact O-N 3.03Å; N1323-D1327 VanDerWaalsContact O-N 3.13Å; R1324-D1327 CarbonylContact O-C 3.48Å; R1324-D1327 WeakPolarHBondContact O-CA 3.47Å; R1324-D1327 PolarHBondContact O-N 3.42Å; R1324-D1327 VanDerWaalsContact O-N 3.11Å; D1327-K1330 WeakPolarHBondContact OD1-CD 3.32Å; D1327-K1330 IonicContact OD1-NZ 3.8Å; D1327-K1330 PolarHBondContact OD1-NZ 3.35Å; D1327-R1331 WeakPolarHBondContact O-CB 3.39Å; D1327-R1331 PolarHBondContact O-N 2.83Å
1328L96.8Very high96Very high7 Ų748 Ų484%0.03723%0.232CC..Hα-helixtrans-65.1-52.6170.3-68.5177.4000110.9F1232 T1233 I1316 E1319 R1324 R1325 V1326 K1330 R1331 F1332F1232-L1328 HydrophobicContact CD1-CD2 3.67Å; F1232-L1328 HydrophobicContact CE1-CD2 4.34Å; T1233-L1328 HydrophobicContact CG2-CD2 3.86Å; I1316-L1328 HydrophobicContact CG1-CB 4.4Å; E1319-L1328 HydrophobicContact CB-CD1 3.48Å; E1319-L1328 VanDerWaalsContact CB-CD1 3.48Å; E1319-L1328 HydrophobicContact CG-CD1 3.93Å; R1324-L1328 WeakPolarHBondContact O-CG 3.46Å; R1324-L1328 PolarHBondContact O-N 2.72Å; R1325-L1328 WeakPolarHBondContact O-CB 3.39Å; R1325-L1328 PolarHBondContact O-N 2.67Å; V1326-L1328 VanDerWaalsContact C-N 3.35Å; V1326-L1328 PolarHBondContact O-N 2.79Å; L1328-K1330 PolarHBondContact O-N 3.08Å; L1328-R1331 CarbonylContact O-C 3.49Å; L1328-R1331 WeakPolarHBondContact O-CA 3.16Å; L1328-R1331 WeakPolarHBondContact O-CB 3.48Å; L1328-R1331 PolarHBondContact O-N 3.49Å; L1328-F1332 HydrophobicContact CB-CE2 4.48Å; L1328-F1332 VanDerWaalsContact O-CD2 3.23Å; L1328-F1332 WeakPolarHBondContact O-CD2 3.45Å; L1328-F1332 PolarHBondContact O-N 3.5Å
1329L97.3Very high96Very high1 Ų143.8 Ų43.81%0.00521%0.21CC..Hα-helixtrans-54.9-51.4178.7175.758.5000111.5I1316 R1325 V1326 R1331 F1332 I1333 L1355 T1366 W1367 L1370I1316-L1329 HydrophobicContact CD1-CD1 4.31Å; R1325-L1329 PolarHBondContact O-N 3.47Å; V1326-L1329 PolarHBondContact O-N 2.95Å; L1329-R1331 VanDerWaalsContact C-N 3.26Å; L1329-R1331 PolarHBondContact O-N 3.44Å; L1329-F1332 PolarHBondContact O-N 2.98Å; L1329-F1332 VanDerWaalsContact O-N 3.16Å; L1329-I1333 HydrophobicContact CD1-CD1 3.95Å; L1329-I1333 HydrophobicContact CD1-CG1 4.38Å; L1329-I1333 HydrophobicContact CG-CD1 4Å; L1329-I1333 WeakPolarHBondContact O-CG1 3.33Å; L1329-I1333 PolarHBondContact O-N 3.21Å; L1329-L1355 HydrophobicContact CD1-CD1 4.12Å; L1329-L1355 HydrophobicContact CD1-CD2 3.51Å; L1329-L1355 HydrophobicContact CD1-CG 4.42Å; L1329-T1366 HydrophobicContact CD2-CG2 4.01Å; L1329-W1367 HydrophobicContact CD1-CH2 3.75Å; L1329-W1367 HydrophobicContact CD1-CZ2 4Å; L1329-W1367 HydrophobicContact CD1-CZ3 4.11Å; L1329-W1367 HydrophobicContact CD2-CD2 3.91Å; L1329-W1367 HydrophobicContact CD2-CE3 3.85Å; L1329-W1367 HydrophobicContact CD2-CH2 4.34Å; L1329-W1367 HydrophobicContact CD2-CZ2 4.37Å; L1329-W1367 HydrophobicContact CD2-CZ3 4.07Å; L1329-L1370 HydrophobicContact CD2-CB 4.44Å; L1329-L1370 HydrophobicContact CD2-CD1 4.3Å; L1329-L1370 HydrophobicContact CD2-CD2 4.07Å; L1329-L1370 HydrophobicContact CG-CD1 4.22Å; L1329-L1370 HydrophobicContact CG-CD2 4.28Å
1330K96.6Very high96Very high62 Ų6244.3 Ų44.327%0.2721%0.21SC..Hα-helixtrans-56.1-34.2172.8178.6-176.2172.1-168.80113.5V1326 D1327 L1328 K1334 L1370 Y1374V1326-K1330 WeakPolarHBondContact O-CB 3.27Å; V1326-K1330 PolarHBondContact O-N 2.85Å; D1327-K1330 WeakPolarHBondContact OD1-CD 3.32Å; D1327-K1330 IonicContact OD1-NZ 3.8Å; D1327-K1330 PolarHBondContact OD1-NZ 3.35Å; L1328-K1330 PolarHBondContact O-N 3.08Å; K1330-K1334 WeakPolarHBondContact O-CB 3.31Å; K1330-K1334 PolarHBondContact O-N 2.92Å; K1330-L1370 HydrophobicContact CB-CD1 3.92Å; K1330-Y1374 HydrophobicContact CB-CD1 4.48Å; K1330-Y1374 HydrophobicContact CD-CE2 4.43Å; K1330-Y1374 HydrophobicContact CG-CD1 3.83Å; K1330-Y1374 HydrophobicContact CG-CD2 4.11Å; K1330-Y1374 HydrophobicContact CG-CE1 3.67Å; K1330-Y1374 HydrophobicContact CG-CE2 3.97Å; K1330-Y1374 HydrophobicContact CG-CG 4.05Å
1331R95.9Very high95.9Very high60 Ų6042.8 Ų42.823%0.22620%0.195CC..Hα-helixtrans-76.1-38.2176.3-172.663145.2-93.4-5.5112F1232 T1233 L1235 D1327 L1328 L1329 K1334 L1335F1232-R1331 HydrophobicContact CD1-CG 4.15Å; F1232-R1331 HydrophobicContact CE1-CB 3.73Å; F1232-R1331 HydrophobicContact CE1-CG 3.44Å; F1232-R1331 VanDerWaalsContact CE1-CG 3.44Å; F1232-R1331 HydrophobicContact CE2-CG 4.4Å; F1232-R1331 HydrophobicContact CZ-CB 4.19Å; F1232-R1331 HydrophobicContact CZ-CG 3.59Å; T1233-R1331 PolarHBondContact O-NH2 3.2Å; L1235-R1331 PolarHBondContact O-NH2 3.48Å; D1327-R1331 WeakPolarHBondContact O-CB 3.39Å; D1327-R1331 PolarHBondContact O-N 2.83Å; L1328-R1331 CarbonylContact O-C 3.49Å; L1328-R1331 WeakPolarHBondContact O-CA 3.16Å; L1328-R1331 WeakPolarHBondContact O-CB 3.48Å; L1328-R1331 PolarHBondContact O-N 3.49Å; L1329-R1331 VanDerWaalsContact C-N 3.26Å; L1329-R1331 PolarHBondContact O-N 3.44Å; R1331-K1334 PolarHBondContact O-N 3.13Å; R1331-L1335 WeakPolarHBondContact O-CB 3.31Å; R1331-L1335 PolarHBondContact O-N 2.96Å
1332F97.8Very high95.7Very high0 Ų040.2 Ų40.20%018%0.181CC..Hα-helixtrans-67.5-44173.7-76.4-62.7000112.5F1232 W1311 A1312 E1315 I1316 L1328 L1329 K1334 L1335 A1336 L1351F1232-F1332 HydrophobicContact CD1-CE2 4.24Å; F1232-F1332 HydrophobicContact CD1-CZ 4.09Å; F1232-F1332 HydrophobicContact CE1-CD1 4.01Å; F1232-F1332 AromaticContact CE1-CD2 3.91Å; F1232-F1332 HydrophobicContact CE1-CD2 3.91Å; F1232-F1332 AromaticContact CE1-CE1 3.77Å; F1232-F1332 HydrophobicContact CE1-CE1 3.77Å; F1232-F1332 AromaticContact CE1-CE2 3.66Å; F1232-F1332 HydrophobicContact CE1-CE2 3.66Å; F1232-F1332 HydrophobicContact CE1-CG 4.07Å; F1232-F1332 AromaticContact CE1-CZ 3.59Å; F1232-F1332 HydrophobicContact CE1-CZ 3.59Å; F1232-F1332 HydrophobicContact CE2-CD1 4.34Å; F1232-F1332 AromaticContact CE2-CE1 3.88Å; F1232-F1332 HydrophobicContact CE2-CE1 3.88Å; F1232-F1332 HydrophobicContact CE2-CZ 4.28Å; F1232-F1332 AromaticContact CZ-CD1 3.52Å; F1232-F1332 HydrophobicContact CZ-CD1 3.52Å; F1232-F1332 HydrophobicContact CZ-CD2 4.27Å; F1232-F1332 AromaticContact CZ-CE1 3.37Å; F1232-F1332 HydrophobicContact CZ-CE1 3.37Å; F1232-F1332 HydrophobicContact CZ-CE2 4.14Å; F1232-F1332 AromaticContact CZ-CG 3.98Å; F1232-F1332 HydrophobicContact CZ-CG 3.98Å; F1232-F1332 AromaticContact CZ-CZ 3.7Å; F1232-F1332 HydrophobicContact CZ-CZ 3.7Å; W1311-F1332 AromaticContact CD2-CE1 3.99Å; W1311-F1332 HydrophobicContact CD2-CE1 3.99Å; W1311-F1332 AromaticContact CE2-CE1 3.75Å; W1311-F1332 HydrophobicContact CE3-CE1 4.3Å; W1311-F1332 HydrophobicContact CH2-CE1 4.19Å; W1311-F1332 AromaticContact CZ2-CE1 3.87Å; W1311-F1332 HydrophobicContact CZ2-CE1 3.87Å; W1311-F1332 HydrophobicContact CZ2-CZ 4.43Å; W1311-F1332 HydrophobicContact CZ3-CE1 4.4Å; A1312-F1332 HydrophobicContact CB-CD1 3.88Å; A1312-F1332 HydrophobicContact CB-CD2 4.06Å; A1312-F1332 HydrophobicContact CB-CE1 3.92Å; A1312-F1332 HydrophobicContact CB-CE2 4.1Å; A1312-F1332 HydrophobicContact CB-CG 3.96Å; A1312-F1332 HydrophobicContact CB-CZ 4.03Å; E1315-F1332 HydrophobicContact CB-CE2 3.91Å; E1315-F1332 HydrophobicContact CB-CZ 3.9Å; E1315-F1332 HydrophobicContact CG-CZ 4.15Å; I1316-F1332 HydrophobicContact CD1-CD2 4.02Å; I1316-F1332 HydrophobicContact CD1-CE2 4.41Å; I1316-F1332 HydrophobicContact CG1-CD2 4.17Å; I1316-F1332 HydrophobicContact CG1-CE2 4.14Å; L1328-F1332 HydrophobicContact CB-CE2 4.48Å; L1328-F1332 VanDerWaalsContact O-CD2 3.23Å; L1328-F1332 WeakPolarHBondContact O-CD2 3.45Å; L1328-F1332 PolarHBondContact O-N 3.5Å; L1329-F1332 PolarHBondContact O-N 2.98Å; L1329-F1332 VanDerWaalsContact O-N 3.16Å; F1332-K1334 VanDerWaalsContact C-N 3.29Å; F1332-K1334 PolarHBondContact O-N 3.04Å; F1332-L1335 HydrophobicContact CD1-CD2 4.49Å; F1332-L1335 WeakPolarHBondContact O-CA 3.44Å; F1332-L1335 WeakPolarHBondContact O-CB 3.3Å; F1332-L1335 PolarHBondContact O-N 3.35Å; F1332-A1336 PolarHBondContact O-N 2.94Å; F1332-L1351 HydrophobicContact CD1-CD2 3.7Å; F1332-L1351 HydrophobicContact CE1-CD2 4.11Å
1333I97.7Very high95.6Very high0 Ų040.6 Ų40.60%018%0.184CC..Hα-helixtrans-58.8-42.4174.3-66.6164.6000110.7L1329 L1335 K1337 L1355 L1370 Y1374 I1377 Y1378L1329-I1333 HydrophobicContact CD1-CD1 3.95Å; L1329-I1333 HydrophobicContact CD1-CG1 4.38Å; L1329-I1333 HydrophobicContact CG-CD1 4Å; L1329-I1333 WeakPolarHBondContact O-CG1 3.33Å; L1329-I1333 PolarHBondContact O-N 3.21Å; I1333-L1335 VanDerWaalsContact C-N 3.34Å; I1333-L1335 PolarHBondContact O-N 3.27Å; I1333-K1337 PolarHBondContact O-N 3.15Å; I1333-K1337 VanDerWaalsContact O-N 3.11Å; I1333-L1355 HydrophobicContact CG1-CD1 3.86Å; I1333-L1370 HydrophobicContact CD1-CD1 4.31Å; I1333-L1370 HydrophobicContact CD1-CD2 3.5Å; I1333-Y1374 HydrophobicContact CG2-CD1 4.39Å; I1333-I1377 HydrophobicContact CG2-CB 4.17Å; I1333-I1377 HydrophobicContact CG2-CG2 3.74Å; I1333-Y1378 HydrophobicContact CD1-CD2 4.32Å; I1333-Y1378 HydrophobicContact CG1-CD2 4.11Å
1334K97.1Very high95.6Very high87 Ų8735.9 Ų35.938%0.37816%0.158SC..Hα-helixtrans-64.9-36.2173.3-177.2172.1177-179.80112.6P1237 K1330 R1331 F1332 L1338P1237-K1334 HydrophobicContact CG-CD 4.01Å; K1330-K1334 WeakPolarHBondContact O-CB 3.31Å; K1330-K1334 PolarHBondContact O-N 2.92Å; R1331-K1334 PolarHBondContact O-N 3.13Å; F1332-K1334 VanDerWaalsContact C-N 3.29Å; F1332-K1334 PolarHBondContact O-N 3.04Å; K1334-L1338 HydrophobicContact CG-CD1 4.17Å; K1334-L1338 WeakPolarHBondContact O-CD1 3.4Å; K1334-L1338 WeakPolarHBondContact O-CG 3.42Å; K1334-L1338 PolarHBondContact O-N 2.72Å; K1334-L1338 VanDerWaalsContact O-N 3.12Å
1335L96.9Very high95.5Very high1 Ų128.9 Ų28.91%0.00513%0.132CC..Hα-helixtrans-67.6-46.4178.2-169.269.7000111F1232 P1237 L1240 A1241 L1244 W1311 R1331 F1332 I1333 K1337 L1338 C1339 L1351F1232-L1335 HydrophobicContact CE2-CD2 4.17Å; F1232-L1335 HydrophobicContact CZ-CD2 4.38Å; P1237-L1335 HydrophobicContact CB-CD1 4.5Å; L1240-L1335 HydrophobicContact CB-CD1 4.14Å; L1240-L1335 HydrophobicContact CD2-CD1 4.16Å; L1240-L1335 HydrophobicContact CD2-CD2 4.24Å; L1240-L1335 HydrophobicContact CG-CD1 4.03Å; A1241-L1335 HydrophobicContact CB-CD1 3.88Å; L1244-L1335 HydrophobicContact CD1-CD2 4.29Å; W1311-L1335 HydrophobicContact CH2-CD2 3.54Å; W1311-L1335 HydrophobicContact CZ3-CD2 3.73Å; R1331-L1335 WeakPolarHBondContact O-CB 3.31Å; R1331-L1335 PolarHBondContact O-N 2.96Å; F1332-L1335 HydrophobicContact CD1-CD2 4.49Å; F1332-L1335 WeakPolarHBondContact O-CA 3.44Å; F1332-L1335 WeakPolarHBondContact O-CB 3.3Å; F1332-L1335 PolarHBondContact O-N 3.35Å; I1333-L1335 VanDerWaalsContact C-N 3.34Å; I1333-L1335 PolarHBondContact O-N 3.27Å; L1335-K1337 VanDerWaalsContact C-N 3.34Å; L1335-K1337 PolarHBondContact O-N 2.84Å; L1335-L1338 WeakPolarHBondContact O-CB 3.43Å; L1335-L1338 PolarHBondContact O-N 2.84Å; L1335-C1339 PolarHBondContact O-N 3.43Å; L1335-C1339 PolarHBondContact O-SG 3.45Å; L1335-L1351 HydrophobicContact CB-CD1 4.07Å; L1335-L1351 HydrophobicContact CD2-CD1 3.81Å; L1335-L1351 HydrophobicContact CG-CD1 3.9Å
1336A97Very high95.4Very high0 Ų028.8 Ų28.80%013%0.132CC..Hα-helixtrans-58.5-42.5175.300000112.2F1332 L1338 C1339 R1340 M1348 L1351 L1352 L1381F1332-A1336 PolarHBondContact O-N 2.94Å; A1336-L1338 VanDerWaalsContact C-N 3.35Å; A1336-L1338 PolarHBondContact O-N 3.19Å; A1336-C1339 PolarHBondContact O-N 3.48Å; A1336-R1340 PolarHBondContact O-N 3.14Å; A1336-M1348 HydrophobicContact CB-CG 4.42Å; A1336-L1351 HydrophobicContact CB-CB 4.16Å; A1336-L1351 HydrophobicContact CB-CD1 4.12Å; A1336-L1352 HydrophobicContact CB-CD2 4.39Å; A1336-L1352 HydrophobicContact CB-CG 4.38Å; A1336-L1381 HydrophobicContact CB-CD1 4.06Å
1337K96.5Very high95.4Very high88 Ų8828.1 Ų28.138%0.38313%0.128SC..Hα-helixtrans-58.6-43.8172175159.7177.8148.60112.4I1333 L1335 C1339 R1340 E1341 I1377 L1381I1333-K1337 PolarHBondContact O-N 3.15Å; I1333-K1337 VanDerWaalsContact O-N 3.11Å; L1335-K1337 VanDerWaalsContact C-N 3.34Å; L1335-K1337 PolarHBondContact O-N 2.84Å; K1337-C1339 VanDerWaalsContact C-N 3.33Å; K1337-C1339 PolarHBondContact O-N 3.34Å; K1337-R1340 WeakPolarHBondContact O-CB 3.25Å; K1337-R1340 PolarHBondContact O-N 3.44Å; K1337-E1341 WeakPolarHBondContact CE-OE1 3.43Å; K1337-E1341 IonicContact NZ-OE1 2.72Å; K1337-E1341 WeakPolarHBondContact O-CG 3.27Å; K1337-E1341 PolarHBondContact O-N 3.12Å; K1337-I1377 HydrophobicContact CB-CG2 4.23Å; K1337-I1377 HydrophobicContact CD-CG2 4.04Å; K1337-L1381 HydrophobicContact CB-CD1 4.2Å
1338L95.9Very high95.4Very high18 Ų1824.4 Ų24.49%0.09411%0.108CC..Hα-helixtrans-66.8-34178-72.1163.1000112.2P1237 A1241 K1334 L1335 A1336 E1341 L1342P1237-L1338 HydrophobicContact CB-CD1 3.82Å; P1237-L1338 HydrophobicContact CG-CD1 4.28Å; A1241-L1338 HydrophobicContact CB-CB 3.66Å; K1334-L1338 HydrophobicContact CG-CD1 4.17Å; K1334-L1338 WeakPolarHBondContact O-CD1 3.4Å; K1334-L1338 WeakPolarHBondContact O-CG 3.42Å; K1334-L1338 PolarHBondContact O-N 2.72Å; K1334-L1338 VanDerWaalsContact O-N 3.12Å; L1335-L1338 WeakPolarHBondContact O-CB 3.43Å; L1335-L1338 PolarHBondContact O-N 2.84Å; A1336-L1338 VanDerWaalsContact C-N 3.35Å; A1336-L1338 PolarHBondContact O-N 3.19Å; L1338-E1341 PolarHBondContact O-N 3.44Å; L1338-L1342 WeakPolarHBondContact O-CB 3.29Å; L1338-L1342 VanDerWaalsContact O-CG 3.31Å; L1338-L1342 WeakPolarHBondContact O-CG 3.49Å; L1338-L1342 PolarHBondContact O-N 3.16Å
1339C95.3Very high95.3Very high0 Ų024.2 Ų24.20%011%0.107CC..Hα-helixtrans-65.6-40.6172.5-61.50000111.5L1335 A1336 K1337 L1342 L1343 N1344 M1348L1335-C1339 PolarHBondContact O-N 3.43Å; L1335-C1339 PolarHBondContact O-SG 3.45Å; A1336-C1339 PolarHBondContact O-N 3.48Å; K1337-C1339 VanDerWaalsContact C-N 3.33Å; K1337-C1339 PolarHBondContact O-N 3.34Å; C1339-L1342 CarbonylContact O-C 3.55Å; C1339-L1342 PolarHBondContact O-N 2.86Å; C1339-L1342 VanDerWaalsContact O-N 3.12Å; C1339-L1343 PolarHBondContact O-N 3.13Å; C1339-N1344 CarbonylContact C-O 3.46Å; C1339-N1344 HydrophobicContact CB-CB 4.13Å; C1339-N1344 WeakPolarHBondContact CB-O 3.37Å; C1339-N1344 PolarHBondContact O-N 2.87Å; C1339-M1348 HydrophobicContact CB-CB 4.13Å
1340R93.1Very high95.2Very high49 Ų4924.1 Ų24.119%0.18511%0.106CC..Hα-helixtrans-60-43.9170.6-173.2172.2162.3179.5-9.1112.4D225 A1336 K1337 L1342 L1343 M1348 D1380 L1381D225-R1340 PolarHBondContact O-NH2 3.35Å; A1336-R1340 PolarHBondContact O-N 3.14Å; K1337-R1340 WeakPolarHBondContact O-CB 3.25Å; K1337-R1340 PolarHBondContact O-N 3.44Å; R1340-L1342 PolarHBondContact O-N 2.92Å; R1340-L1343 PolarHBondContact O-N 3.32Å; R1340-L1343 VanDerWaalsContact O-N 3.11Å; R1340-M1348 HydrophobicContact CB-CG 4.38Å; R1340-M1348 HydrophobicContact CB-SD 3.67Å; R1340-M1348 HydrophobicContact CG-SD 3.97Å; R1340-D1380 PolarHBondContact NH1-O 3.23Å; R1340-L1381 HydrophobicContact CB-CD2 4.25Å
1341E91Very high95.2Very high77 Ų7721.2 Ų21.236%0.369%0.094SC..Hα-helixtrans-63.7-23175.5-72.9174.7-160.100113.1K1337 L1338K1337-E1341 WeakPolarHBondContact CE-OE1 3.43Å; K1337-E1341 IonicContact NZ-OE1 2.72Å; K1337-E1341 WeakPolarHBondContact O-CG 3.27Å; K1337-E1341 PolarHBondContact O-N 3.12Å; L1338-E1341 PolarHBondContact O-N 3.44Å
1342L91.7Very high95.2Very high17 Ų1718.3 Ų18.39%0.0898%0.083CC..THydrogen-bonded Turntrans-979175.2-69.3174000113.5A1241 T1245 L1338 C1339 R1340 N1344 Y1457 L1459A1241-L1342 HydrophobicContact CB-CD1 3.94Å; T1245-L1342 HydrophobicContact CG2-CB 4.4Å; L1338-L1342 WeakPolarHBondContact O-CB 3.29Å; L1338-L1342 VanDerWaalsContact O-CG 3.31Å; L1338-L1342 WeakPolarHBondContact O-CG 3.49Å; L1338-L1342 PolarHBondContact O-N 3.16Å; C1339-L1342 CarbonylContact O-C 3.55Å; C1339-L1342 PolarHBondContact O-N 2.86Å; C1339-L1342 VanDerWaalsContact O-N 3.12Å; R1340-L1342 PolarHBondContact O-N 2.92Å; L1342-N1344 PolarHBondContact O-N 2.86Å; L1342-Y1457 PolarHBondContact O-OH 2.97Å; L1342-L1459 HydrophobicContact CD2-CD2 3.88Å
1343L92.1Very high94.8Very high39 Ų3920.8 Ų20.820%0.20410%0.097CC..THydrogen-bonded Turntrans54.521.7-174.5-49.9179.3000114C1339 R1340 F1345 V1403 M1407 L1408C1339-L1343 PolarHBondContact O-N 3.13Å; R1340-L1343 PolarHBondContact O-N 3.32Å; R1340-L1343 VanDerWaalsContact O-N 3.11Å; L1343-F1345 HydrophobicContact CB-CE2 4.27Å; L1343-F1345 HydrophobicContact CD2-CE2 4.39Å; L1343-F1345 HydrophobicContact CD2-CZ 4.29Å; L1343-F1345 WeakPolarHBondContact O-CD2 3.24Å; L1343-F1345 PolarHBondContact O-N 3.2Å; L1343-V1403 HydrophobicContact CD1-CG1 4.12Å; L1343-V1403 HydrophobicContact CD2-CG1 4.11Å; L1343-M1407 HydrophobicContact CB-CB 3.86Å; L1343-M1407 HydrophobicContact CD1-CB 4.42Å; L1343-L1408 PolarHBondContact O-N 2.84Å
1344N94Very high94.5Very high0 Ų020.8 Ų20.80%010%0.097CC..BIsolated β-bridgetrans-87.586.5168.7179.6-11.1000108.3T1245 C1339 L1342 N1346 T1347 M1348 L1408T1245-N1344 HydrophobicContact CG2-CB 3.81Å; T1245-N1344 WeakPolarHBondContact OG1-CB 3.33Å; T1245-N1344 PolarHBondContact OG1-ND2 2.83Å; C1339-N1344 CarbonylContact C-O 3.46Å; C1339-N1344 HydrophobicContact CB-CB 4.13Å; C1339-N1344 WeakPolarHBondContact CB-O 3.37Å; C1339-N1344 PolarHBondContact O-N 2.87Å; L1342-N1344 PolarHBondContact O-N 2.86Å; N1344-N1346 PolarHBondContact OD1-N 2.86Å; N1344-T1347 WeakPolarHBondContact ND2-CB 3.35Å; N1344-T1347 PolarHBondContact ND2-OG1 2.97Å; N1344-T1347 WeakPolarHBondContact OD1-CB 3.23Å; N1344-T1347 PolarHBondContact OD1-N 3.05Å; N1344-T1347 PolarHBondContact OD1-OG1 3.35Å; N1344-M1348 WeakPolarHBondContact O-CB 3.37Å; N1344-M1348 PolarHBondContact O-N 3.44Å; N1344-L1408 WeakPolarHBondContact OD1-CD2 3.13Å
1345F94.1Very high94.4Very high7 Ų716.6 Ų16.63%0.0318%0.079CC..Hα-helixtrans-76.2-26.8175.5-59.4-80.2000111.6L1343 M1348 F1349 Y1394 L1398 L1408L1343-F1345 HydrophobicContact CB-CE2 4.27Å; L1343-F1345 HydrophobicContact CD2-CE2 4.39Å; L1343-F1345 HydrophobicContact CD2-CZ 4.29Å; L1343-F1345 WeakPolarHBondContact O-CD2 3.24Å; L1343-F1345 PolarHBondContact O-N 3.2Å; F1345-M1348 HydrophobicContact CD1-CE 4.12Å; F1345-M1348 HydrophobicContact CD1-SD 4.38Å; F1345-M1348 PolarHBondContact O-N 2.82Å; F1345-F1349 HydrophobicContact CB-CD2 4.35Å; F1345-F1349 WeakPolarHBondContact O-CB 3.35Å; F1345-F1349 VanDerWaalsContact O-CD2 3.3Å; F1345-F1349 WeakPolarHBondContact O-CD2 3.39Å; F1345-F1349 PolarHBondContact O-N 3.31Å; F1345-Y1394 HydrophobicContact CB-CE2 3.72Å; F1345-Y1394 HydrophobicContact CD1-CD2 4.3Å; F1345-Y1394 AromaticContact CD1-CE2 3.82Å; F1345-Y1394 HydrophobicContact CD1-CE2 3.82Å; F1345-Y1394 HydrophobicContact CD2-CE2 4.23Å; F1345-Y1394 HydrophobicContact CE1-CE2 4.49Å; F1345-Y1394 AromaticContact CG-CE2 3.66Å; F1345-Y1394 HydrophobicContact CG-CE2 3.66Å; F1345-L1398 HydrophobicContact CD2-CD2 4.1Å; F1345-L1398 HydrophobicContact CE2-CD2 4.05Å; F1345-L1408 WeakPolarHBondContact CB-O 3.43Å; F1345-L1408 PolarHBondContact N-O 2.89Å
1346N94.7Very high94Very high0 Ų019.6 Ų19.60%09%0.093CC..Hα-helixtrans-58.3-60.9179.4-165.361.1000112.5D1248 V1305 N1344 M1348 F1349 C1350 L1408 L1411D1248-N1346 PolarHBondContact OD2-ND2 3.43Å; V1305-N1346 WeakPolarHBondContact CG2-OD1 3.05Å; N1344-N1346 PolarHBondContact OD1-N 2.86Å; N1346-M1348 VanDerWaalsContact C-N 3.28Å; N1346-M1348 PolarHBondContact O-N 3.41Å; N1346-F1349 PolarHBondContact O-N 2.82Å; N1346-C1350 WeakPolarHBondContact O-CB 3.48Å; N1346-C1350 PolarHBondContact O-N 3.43Å; N1346-C1350 PolarHBondContact O-SG 3.43Å; N1346-L1408 HydrophobicContact CB-CD2 3.49Å; N1346-L1408 VanDerWaalsContact CB-CD2 3.49Å; N1346-L1408 HydrophobicContact CB-CG 3.99Å; N1346-L1408 PolarHBondContact N-O 3.18Å; N1346-L1411 PolarHBondContact OD1-N 3.09Å
1347T96.1Very high93.5Very high0 Ų021.1 Ų21.10%010%0.1CC..Hα-helixtrans-63.5-35177.6-53.70000111.4L1244 D1248 E1308 N1344 C1350 L1351L1244-T1347 HydrophobicContact CD1-CG2 4.19Å; D1248-T1347 PolarHBondContact OD2-OG1 3.16Å; E1308-T1347 VanDerWaalsContact OE2-CA 3.23Å; E1308-T1347 WeakPolarHBondContact OE2-CA 3.44Å; E1308-T1347 WeakPolarHBondContact OE2-CB 3.43Å; E1308-T1347 VanDerWaalsContact OE2-CG2 3.25Å; E1308-T1347 WeakPolarHBondContact OE2-CG2 3.35Å; E1308-T1347 PolarHBondContact OE2-OG1 2.98Å; N1344-T1347 WeakPolarHBondContact ND2-CB 3.35Å; N1344-T1347 PolarHBondContact ND2-OG1 2.97Å; N1344-T1347 WeakPolarHBondContact OD1-CB 3.23Å; N1344-T1347 PolarHBondContact OD1-N 3.05Å; N1344-T1347 PolarHBondContact OD1-OG1 3.35Å; T1347-C1350 PolarHBondContact O-N 2.69Å; T1347-L1351 HydrophobicContact CG2-CD1 3.93Å; T1347-L1351 HydrophobicContact CG2-CG 4.19Å; T1347-L1351 WeakPolarHBondContact O-CB 3.2Å; T1347-L1351 VanDerWaalsContact O-CG 3.24Å; T1347-L1351 WeakPolarHBondContact O-CG 3.36Å; T1347-L1351 PolarHBondContact O-N 2.96Å
1348M95.7Very high93Very high0 Ų020.2 Ų20.20%010%0.102CC..Hα-helixtrans-60.5-50.7175.2-174-156.875.500111.2A1336 C1339 R1340 N1344 F1345 N1346 L1352 L1381 V1384A1336-M1348 HydrophobicContact CB-CG 4.42Å; C1339-M1348 HydrophobicContact CB-CB 4.13Å; R1340-M1348 HydrophobicContact CB-CG 4.38Å; R1340-M1348 HydrophobicContact CB-SD 3.67Å; R1340-M1348 HydrophobicContact CG-SD 3.97Å; N1344-M1348 WeakPolarHBondContact O-CB 3.37Å; N1344-M1348 PolarHBondContact O-N 3.44Å; F1345-M1348 HydrophobicContact CD1-CE 4.12Å; F1345-M1348 HydrophobicContact CD1-SD 4.38Å; F1345-M1348 PolarHBondContact O-N 2.82Å; N1346-M1348 VanDerWaalsContact C-N 3.28Å; N1346-M1348 PolarHBondContact O-N 3.41Å; M1348-L1352 HydrophobicContact CE-CD1 4.13Å; M1348-L1352 HydrophobicContact CG-CD1 3.85Å; M1348-L1352 WeakPolarHBondContact O-CB 3.12Å; M1348-L1352 WeakPolarHBondContact O-CD1 3.36Å; M1348-L1352 WeakPolarHBondContact O-CG 3.15Å; M1348-L1352 PolarHBondContact O-N 3.04Å; M1348-L1352 HydrophobicContact SD-CD1 4.37Å; M1348-L1381 HydrophobicContact CG-CD2 4.4Å; M1348-L1381 HydrophobicContact SD-CD2 4.03Å; M1348-V1384 HydrophobicContact CE-CB 4.02Å; M1348-V1384 HydrophobicContact CE-CG1 3.85Å
1349F94.9Very high92.7Very high2 Ų219.9 Ų19.91%0.00910%0.101CC..Hα-helixtrans-61.3-47.3175.5-92.9-105000111F1345 N1346 L1351 L1352 V1353 V1384 L1385 Y1394 Y1410F1345-F1349 HydrophobicContact CB-CD2 4.35Å; F1345-F1349 WeakPolarHBondContact O-CB 3.35Å; F1345-F1349 VanDerWaalsContact O-CD2 3.3Å; F1345-F1349 WeakPolarHBondContact O-CD2 3.39Å; F1345-F1349 PolarHBondContact O-N 3.31Å; N1346-F1349 PolarHBondContact O-N 2.82Å; F1349-L1351 PolarHBondContact O-N 2.89Å; F1349-L1352 PolarHBondContact O-N 2.79Å; F1349-V1353 VanDerWaalsContact O-CB 3.32Å; F1349-V1353 WeakPolarHBondContact O-CB 3.43Å; F1349-V1353 VanDerWaalsContact O-CG2 3.27Å; F1349-V1353 WeakPolarHBondContact O-CG2 3.5Å; F1349-V1353 PolarHBondContact O-N 2.6Å; F1349-V1384 HydrophobicContact CE2-CG1 3.93Å; F1349-V1384 HydrophobicContact CZ-CG1 4.15Å; F1349-V1384 VanDerWaalsContact CZ-O 3.29Å; F1349-V1384 WeakPolarHBondContact CZ-O 3.48Å; F1349-L1385 HydrophobicContact CD1-CD2 3.31Å; F1349-L1385 HydrophobicContact CE1-CD2 3.5Å; F1349-L1385 VanDerWaalsContact CE1-CD2 3.5Å; F1349-L1385 HydrophobicContact CG-CD2 3.88Å; F1349-L1385 HydrophobicContact CZ-CD2 4.2Å; F1349-Y1394 HydrophobicContact CE2-CD1 4.43Å; F1349-Y1394 AromaticContact CE2-CD2 3.6Å; F1349-Y1394 HydrophobicContact CE2-CD2 3.6Å; F1349-Y1394 AromaticContact CE2-CE2 3.76Å; F1349-Y1394 HydrophobicContact CE2-CE2 3.76Å; F1349-Y1394 AromaticContact CE2-CG 3.95Å; F1349-Y1394 HydrophobicContact CE2-CG 3.95Å; F1349-Y1394 HydrophobicContact CZ-CD1 4.1Å; F1349-Y1394 AromaticContact CZ-CD2 3.92Å; F1349-Y1394 HydrophobicContact CZ-CD2 3.92Å; F1349-Y1394 HydrophobicContact CZ-CE2 4.37Å; F1349-Y1394 AromaticContact CZ-CG 3.77Å; F1349-Y1394 HydrophobicContact CZ-CG 3.77Å; F1349-Y1410 HydrophobicContact CB-CD1 4.1Å; F1349-Y1410 HydrophobicContact CB-CD2 3.34Å; F1349-Y1410 HydrophobicContact CB-CE1 4.31Å; F1349-Y1410 HydrophobicContact CB-CE2 3.58Å; F1349-Y1410 HydrophobicContact CB-CG 3.61Å; F1349-Y1410 AromaticContact CD1-CD1 3.41Å; F1349-Y1410 HydrophobicContact CD1-CD1 3.41Å; F1349-Y1410 VanDerWaalsContact CD1-CD1 3.41Å; F1349-Y1410 HydrophobicContact CD1-CD2 4.28Å; F1349-Y1410 AromaticContact CD1-CE1 3.64Å; F1349-Y1410 HydrophobicContact CD1-CE1 3.64Å; F1349-Y1410 HydrophobicContact CD1-CE2 4.46Å; F1349-Y1410 AromaticContact CD1-CG 3.76Å; F1349-Y1410 HydrophobicContact CD1-CG 3.76Å; F1349-Y1410 HydrophobicContact CD2-CG 4.22Å; F1349-Y1410 AromaticContact CE1-CD1 3.92Å; F1349-Y1410 HydrophobicContact CE1-CD1 3.92Å; F1349-Y1410 HydrophobicContact CE1-CE1 4.33Å; F1349-Y1410 HydrophobicContact CE1-CG 4.48Å; F1349-Y1410 AromaticContact CG-CD1 3.8Å; F1349-Y1410 HydrophobicContact CG-CD1 3.8Å; F1349-Y1410 AromaticContact CG-CD2 3.92Å; F1349-Y1410 HydrophobicContact CG-CD2 3.92Å; F1349-Y1410 HydrophobicContact CG-CE1 4.25Å; F1349-Y1410 HydrophobicContact CG-CE2 4.35Å; F1349-Y1410 AromaticContact CG-CG 3.61Å; F1349-Y1410 HydrophobicContact CG-CG 3.61Å
1350C95.3Very high92.7Very high0 Ų019.9 Ų19.90%010%0.101CC..Hα-helixtrans-56.3-47.6179.6-67.50000112E1308 A1309 N1346 T1347 G1354E1308-C1350 HydrophobicContact CB-CB 3.66Å; A1309-C1350 WeakPolarHBondContact CA-O 3.42Å; A1309-C1350 HydrophobicContact CB-CB 4.31Å; N1346-C1350 WeakPolarHBondContact O-CB 3.48Å; N1346-C1350 PolarHBondContact O-N 3.43Å; N1346-C1350 PolarHBondContact O-SG 3.43Å; T1347-C1350 PolarHBondContact O-N 2.69Å; C1350-G1354 PolarHBondContact O-N 3.45Å
1351L96.7Very high92.7Very high0 Ų021.3 Ų21.30%011%0.11CC..Hα-helixtrans-64.2-44177.5-70.5175.5000112.4W1311 A1312 F1332 L1335 A1336 T1347 F1349 G1354 L1355W1311-L1351 HydrophobicContact CE3-CD2 3.97Å; W1311-L1351 HydrophobicContact CZ3-CD2 4.17Å; A1312-L1351 HydrophobicContact CB-CD2 4.11Å; F1332-L1351 HydrophobicContact CD1-CD2 3.7Å; F1332-L1351 HydrophobicContact CE1-CD2 4.11Å; L1335-L1351 HydrophobicContact CB-CD1 4.07Å; L1335-L1351 HydrophobicContact CD2-CD1 3.81Å; L1335-L1351 HydrophobicContact CG-CD1 3.9Å; A1336-L1351 HydrophobicContact CB-CB 4.16Å; A1336-L1351 HydrophobicContact CB-CD1 4.12Å; T1347-L1351 HydrophobicContact CG2-CD1 3.93Å; T1347-L1351 HydrophobicContact CG2-CG 4.19Å; T1347-L1351 WeakPolarHBondContact O-CB 3.2Å; T1347-L1351 VanDerWaalsContact O-CG 3.24Å; T1347-L1351 WeakPolarHBondContact O-CG 3.36Å; T1347-L1351 PolarHBondContact O-N 2.96Å; F1349-L1351 PolarHBondContact O-N 2.89Å; L1351-G1354 PolarHBondContact O-N 3.08Å; L1351-L1355 WeakPolarHBondContact O-CG 3.48Å; L1351-L1355 PolarHBondContact O-N 3.07Å
1352L95Very high92.8Very high0 Ų020.7 Ų20.70%010%0.104CC..Hα-helixtrans-69.5-43.6-179.4-65.7166.4000111.8A1336 M1348 F1349 G1354 L1355 H1356 Y1378 L1381 L1385A1336-L1352 HydrophobicContact CB-CD2 4.39Å; A1336-L1352 HydrophobicContact CB-CG 4.38Å; M1348-L1352 HydrophobicContact CE-CD1 4.13Å; M1348-L1352 HydrophobicContact CG-CD1 3.85Å; M1348-L1352 WeakPolarHBondContact O-CB 3.12Å; M1348-L1352 WeakPolarHBondContact O-CD1 3.36Å; M1348-L1352 WeakPolarHBondContact O-CG 3.15Å; M1348-L1352 PolarHBondContact O-N 3.04Å; M1348-L1352 HydrophobicContact SD-CD1 4.37Å; F1349-L1352 PolarHBondContact O-N 2.79Å; L1352-G1354 VanDerWaalsContact C-N 3.27Å; L1352-G1354 PolarHBondContact O-N 3.21Å; L1352-L1355 PolarHBondContact O-N 2.96Å; L1352-L1355 VanDerWaalsContact O-N 3.09Å; L1352-H1356 PolarHBondContact O-N 3Å; L1352-H1356 PolarHBondContact O-ND1 2.79Å; L1352-Y1378 HydrophobicContact CD2-CD2 4.18Å; L1352-Y1378 HydrophobicContact CD2-CE2 4.17Å; L1352-L1381 HydrophobicContact CD1-CB 3.89Å; L1352-L1381 HydrophobicContact CD2-CB 3.79Å; L1352-L1381 HydrophobicContact CD2-CD1 4.28Å; L1352-L1381 HydrophobicContact CG-CB 4.48Å; L1352-L1385 HydrophobicContact CB-CD1 3.77Å; L1352-L1385 HydrophobicContact CB-CD2 4.27Å; L1352-L1385 HydrophobicContact CB-CG 4.21Å; L1352-L1385 HydrophobicContact CD1-CD2 4.48Å; L1352-L1385 HydrophobicContact CD1-CG 4.47Å
1353V89.2Confident92.9Very high51 Ų5120 Ų2031%0.30910%0.101SC..Hα-helixtrans-60.2-40.3174170.50000110.3F1349 L1355 H1356 Q1357 L1385F1349-V1353 VanDerWaalsContact O-CB 3.32Å; F1349-V1353 WeakPolarHBondContact O-CB 3.43Å; F1349-V1353 VanDerWaalsContact O-CG2 3.27Å; F1349-V1353 WeakPolarHBondContact O-CG2 3.5Å; F1349-V1353 PolarHBondContact O-N 2.6Å; V1353-L1355 PolarHBondContact O-N 3.15Å; V1353-H1356 PolarHBondContact O-N 3.37Å; V1353-Q1357 WeakPolarHBondContact O-CG 3.2Å; V1353-Q1357 PolarHBondContact O-N 3.2Å; V1353-L1385 HydrophobicContact CG2-CD1 4.23Å; V1353-L1385 HydrophobicContact CG2-CD2 4.21Å
1354G91.4Very high93Very high0 Ų024.4 Ų24.40%012%0.118CC..Hα-helixtrans-57.5-43.517100000113.3A1309 P1313 C1350 L1351 L1352 H1356 Q1357A1309-G1354 WeakPolarHBondContact O-CA 3.46Å; P1313-G1354 WeakPolarHBondContact CG-O 3.2Å; C1350-G1354 PolarHBondContact O-N 3.45Å; L1351-G1354 PolarHBondContact O-N 3.08Å; L1352-G1354 VanDerWaalsContact C-N 3.27Å; L1352-G1354 PolarHBondContact O-N 3.21Å; G1354-H1356 PolarHBondContact O-N 3.03Å; G1354-Q1357 WeakPolarHBondContact O-CB 3.21Å; G1354-Q1357 PolarHBondContact O-N 2.89Å
1355L95.1Very high92.9Very high0 Ų029.8 Ų29.80%014%0.143CC..Hα-helixtrans-69.1-29.3178.4-68.8179.9000113.8A1312 I1316 L1329 I1333 L1351 L1352 V1353 Q1357 V1360 W1367 Y1378A1312-L1355 HydrophobicContact CB-CD2 4.49Å; I1316-L1355 HydrophobicContact CD1-CD2 3.5Å; I1316-L1355 VanDerWaalsContact CD1-CD2 3.5Å; L1329-L1355 HydrophobicContact CD1-CD1 4.12Å; L1329-L1355 HydrophobicContact CD1-CD2 3.51Å; L1329-L1355 HydrophobicContact CD1-CG 4.42Å; I1333-L1355 HydrophobicContact CG1-CD1 3.86Å; L1351-L1355 WeakPolarHBondContact O-CG 3.48Å; L1351-L1355 PolarHBondContact O-N 3.07Å; L1352-L1355 PolarHBondContact O-N 2.96Å; L1352-L1355 VanDerWaalsContact O-N 3.09Å; V1353-L1355 PolarHBondContact O-N 3.15Å; L1355-Q1357 VanDerWaalsContact C-N 3.31Å; L1355-V1360 HydrophobicContact CD2-CG1 4.09Å; L1355-W1367 HydrophobicContact CB-CH2 4.46Å; L1355-Y1378 HydrophobicContact CB-CE2 3.79Å; L1355-Y1378 HydrophobicContact CD1-CD2 4.1Å; L1355-Y1378 HydrophobicContact CD1-CE2 3.72Å; L1355-Y1378 HydrophobicContact CG-CE2 4.41Å
1356H89.3Confident93Very high63 Ų6329.5 Ų29.529%0.29214%0.142SC..THydrogen-bonded Turntrans-81.7-1.1173.1-65.589.6000113.8L1352 V1353 G1354 T1358 E1361 Y1378 S1382L1352-H1356 PolarHBondContact O-N 3Å; L1352-H1356 PolarHBondContact O-ND1 2.79Å; V1353-H1356 PolarHBondContact O-N 3.37Å; G1354-H1356 PolarHBondContact O-N 3.03Å; H1356-T1358 PolarHBondContact O-N 3.35Å; H1356-E1361 WeakPolarHBondContact CA-OE1 3.45Å; H1356-E1361 IonicContact CD2-OE1 2.78Å; H1356-E1361 PolarHBondContact CD2-OE1 2.96Å; H1356-E1361 IonicContact CG-OE1 3.75Å; H1356-Y1378 PolarHBondContact CD2-OH 3.03Å; H1356-Y1378 AromaticContact CE1-CZ 3.58Å; H1356-Y1378 PolarHBondContact CE1-OH 2.72Å; H1356-Y1378 PolarHBondContact ND1-OH 2.81Å; H1356-Y1378 AromaticContact NE2-CZ 3.71Å; H1356-Y1378 PolarHBondContact NE2-OH 2.59Å; H1356-Y1378 VanDerWaalsContact NE2-OH 3.15Å; H1356-S1382 PolarHBondContact CE1-OG 3.07Å; H1356-S1382 PolarHBondContact NE2-OG 3.42Å
1357Q86.5Confident93.1Very high33 Ų3331 Ų3115%0.15415%0.148CC..SBendtrans-66.4135.5173.9-64.5-170.5-0.900110.1Y1310 P1313 V1353 G1354 L1355 P1359 V1360 E1361Y1310-Q1357 VanDerWaalsContact CE1-NE2 3.33Å; P1313-Q1357 HydrophobicContact CG-CG 4.32Å; P1313-Q1357 VanDerWaalsContact CG-OE1 3.31Å; V1353-Q1357 WeakPolarHBondContact O-CG 3.2Å; V1353-Q1357 PolarHBondContact O-N 3.2Å; G1354-Q1357 WeakPolarHBondContact O-CB 3.21Å; G1354-Q1357 PolarHBondContact O-N 2.89Å; L1355-Q1357 VanDerWaalsContact C-N 3.31Å; Q1357-P1359 VanDerWaalsContact C-N 3.28Å; Q1357-V1360 WeakPolarHBondContact O-CA 3.42Å; Q1357-V1360 PolarHBondContact O-N 3.32Å; Q1357-E1361 PolarHBondContact O-N 3.19Å; Q1357-E1361 VanDerWaalsContact O-N 3.13Å
1358T86.6Confident93Very high68 Ų6836.3 Ų36.342%0.41718%0.176SC..Hα-helixtrans-49.7-35.9-177.4-38.40000114.9H1356 V1360 R1362H1356-T1358 PolarHBondContact O-N 3.35Å; T1358-V1360 PolarHBondContact O-N 2.78Å; T1358-R1362 WeakPolarHBondContact O-CB 3.3Å; T1358-R1362 WeakPolarHBondContact O-CG 3.41Å; T1358-R1362 PolarHBondContact O-N 3.49Å
1359P89.8Confident93Very high11 Ų1143.1 Ų43.17%0.07120%0.202CC..Hα-helixtrans-61.7-22.1173.2-25.337.1000115.1Q1357 L1363 L1651 S1655Q1357-P1359 VanDerWaalsContact C-N 3.28Å; P1359-L1363 WeakPolarHBondContact O-CG 3.29Å; P1359-L1651 HydrophobicContact CB-CB 4.05Å; P1359-L1651 HydrophobicContact CG-CB 3.88Å; P1359-S1655 WeakPolarHBondContact O-CB 2.99Å; P1359-S1655 PolarHBondContact O-OG 3.21Å
1360V94.7Very high93.1Very high1 Ų143.1 Ų43.11%0.00620%0.202CC..Hα-helixtrans-95.9-46.7176.9-1780000111.3P1313 I1316 L1355 Q1357 T1358 R1362 L1363 W1367P1313-V1360 HydrophobicContact CB-CG2 4.14Å; P1313-V1360 HydrophobicContact CG-CG2 4.33Å; I1316-V1360 HydrophobicContact CD1-CG1 4.16Å; I1316-V1360 HydrophobicContact CG2-CG1 4.32Å; L1355-V1360 HydrophobicContact CD2-CG1 4.09Å; Q1357-V1360 WeakPolarHBondContact O-CA 3.42Å; Q1357-V1360 PolarHBondContact O-N 3.32Å; T1358-V1360 PolarHBondContact O-N 2.78Å; V1360-R1362 VanDerWaalsContact C-N 3.25Å; V1360-R1362 PolarHBondContact O-N 3.3Å; V1360-L1363 WeakPolarHBondContact O-CB 3.25Å; V1360-L1363 PolarHBondContact O-N 3.5Å; V1360-L1363 VanDerWaalsContact O-N 3.13Å; V1360-W1367 HydrophobicContact CG1-CZ2 4.08Å; V1360-W1367 PolarHBondContact O-NE1 3.02Å
1361E92.4Very high93.2Very high79 Ų7946 Ų4637%0.36922%0.221SC..Hα-helixtrans-61.2-31.9-179.5-65.1-165.514500113.7H1356 Q1357 L1363H1356-E1361 WeakPolarHBondContact CA-OE1 3.45Å; H1356-E1361 IonicContact CD2-OE1 2.78Å; H1356-E1361 PolarHBondContact CD2-OE1 2.96Å; H1356-E1361 IonicContact CG-OE1 3.75Å; Q1357-E1361 PolarHBondContact O-N 3.19Å; Q1357-E1361 VanDerWaalsContact O-N 3.13Å; E1361-L1363 PolarHBondContact O-N 2.97Å
1362R92.6Very high93.1Very high64 Ų6452 Ų5224%0.24225%0.253CS..THydrogen-bonded Turntrans-69.9-10.9178.872.3175.8-70.4-65.6-9.1114.5T1358 V1360 K1364 S1655 E1659T1358-R1362 WeakPolarHBondContact O-CB 3.3Å; T1358-R1362 WeakPolarHBondContact O-CG 3.41Å; T1358-R1362 PolarHBondContact O-N 3.49Å; V1360-R1362 VanDerWaalsContact C-N 3.25Å; V1360-R1362 PolarHBondContact O-N 3.3Å; R1362-K1364 PolarHBondContact O-N 3.35Å; R1362-S1655 VanDerWaalsContact CD-OG 3.26Å; R1362-S1655 WeakPolarHBondContact CD-OG 3.24Å; R1362-S1655 WeakPolarHBondContact CG-OG 3.34Å; R1362-S1655 PolarHBondContact NH1-O 3.04Å; R1362-S1655 PolarHBondContact NH1-OG 2.94Å; R1362-E1659 VanDerWaalsContact CZ-O 3.31Å; R1362-E1659 PolarHBondContact NH1-O 3.47Å; R1362-E1659 PolarHBondContact NH2-O 2.81Å
1363L94.2Very high93.1Very high2 Ų259.2 Ų59.21%0.0128%0.284CS..  trans-81.358.5-177.1-60.5176.2000111I1316 P1359 V1360 E1361 Q1365 T1366 W1367 S1655 E1659I1316-L1363 HydrophobicContact CG2-CD1 3.68Å; P1359-L1363 WeakPolarHBondContact O-CG 3.29Å; V1360-L1363 WeakPolarHBondContact O-CB 3.25Å; V1360-L1363 PolarHBondContact O-N 3.5Å; V1360-L1363 VanDerWaalsContact O-N 3.13Å; E1361-L1363 PolarHBondContact O-N 2.97Å; L1363-Q1365 VanDerWaalsContact C-N 3.29Å; L1363-Q1365 PolarHBondContact O-N 2.86Å; L1363-T1366 WeakPolarHBondContact O-CA 3.31Å; L1363-T1366 VanDerWaalsContact O-CB 3.24Å; L1363-T1366 WeakPolarHBondContact O-CB 3.39Å; L1363-T1366 PolarHBondContact O-N 3.46Å; L1363-W1367 PolarHBondContact O-N 3.06Å; L1363-S1655 VanDerWaalsContact CD2-OG 3.31Å; L1363-S1655 WeakPolarHBondContact CD2-OG 3.37Å; L1363-E1659 VanDerWaalsContact CA-OE2 3.27Å; L1363-E1659 WeakPolarHBondContact CA-OE2 3.08Å; L1363-E1659 HydrophobicContact CD2-CB 3.82Å; L1363-E1659 HydrophobicContact CD2-CG 4.05Å
1364K94.2Very high93.5Very high131 Ų13159.4 Ų59.457%0.5728%0.28SS*.Hα-helixtrans-53.4-44.3-171.2-67.5-59.2-172-1780112.3R1362 T1366 W1367 D1368 E1659R1362-K1364 PolarHBondContact O-N 3.35Å; K1364-T1366 PolarHBondContact O-N 2.74Å; K1364-W1367 WeakPolarHBondContact O-CA 3.33Å; K1364-W1367 PolarHBondContact O-N 3.13Å; K1364-D1368 VanDerWaalsContact C-CG 3.47Å; K1364-D1368 PolarHBondContact O-N 3.33Å; K1364-E1659 PolarHBondContact N-OE2 3.24Å
1365Q92.9Very high93.6Very high114 Ų11462.5 Ų62.553%0.53329%0.294SS..Hα-helixtrans-59.9-22.7179.4-55.2-176.4-0.800113.6L1322 L1363 R1369 E1659L1322-Q1365 HydrophobicContact CD1-CB 4.26Å; L1322-Q1365 WeakPolarHBondContact CD1-O 3.43Å; L1322-Q1365 HydrophobicContact CD2-CB 4.35Å; L1363-Q1365 VanDerWaalsContact C-N 3.29Å; L1363-Q1365 PolarHBondContact O-N 2.86Å; Q1365-R1369 WeakPolarHBondContact O-CD 3.41Å; Q1365-R1369 VanDerWaalsContact O-CG 3.32Å; Q1365-R1369 WeakPolarHBondContact O-CG 3.25Å; Q1365-E1659 WeakPolarHBondContact CB-OE2 3.44Å; Q1365-E1659 PolarHBondContact N-OE2 2.88Å
1366T95.8Very high93.7Very high1 Ų166.9 Ų66.91%0.00631%0.313CS..Hα-helixtrans-81.2-39.3173.2-54.50000112.2R1325 V1326 L1329 L1363 K1364 L1370 E1659R1325-T1366 HydrophobicContact CB-CG2 4.38Å; R1325-T1366 HydrophobicContact CG-CG2 3.95Å; R1325-T1366 PolarHBondContact NE-OG1 3.38Å; R1325-T1366 PolarHBondContact NH2-OG1 3.38Å; V1326-T1366 HydrophobicContact CG2-CG2 4Å; L1329-T1366 HydrophobicContact CD2-CG2 4.01Å; L1363-T1366 WeakPolarHBondContact O-CA 3.31Å; L1363-T1366 VanDerWaalsContact O-CB 3.24Å; L1363-T1366 WeakPolarHBondContact O-CB 3.39Å; L1363-T1366 PolarHBondContact O-N 3.46Å; K1364-T1366 PolarHBondContact O-N 2.74Å; T1366-L1370 PolarHBondContact O-N 2.73Å; T1366-E1659 PolarHBondContact OG1-OE1 3.41Å
1367W96.4Very high94Very high30 Ų3065.2 Ų65.211%0.11431%0.306CS..Hα-helixtrans-74.3-41.6178-72.2102.3000112.8L1329 L1355 V1360 L1363 K1364 R1369 L1370 Q1375 Y1378L1329-W1367 HydrophobicContact CD1-CH2 3.75Å; L1329-W1367 HydrophobicContact CD1-CZ2 4Å; L1329-W1367 HydrophobicContact CD1-CZ3 4.11Å; L1329-W1367 HydrophobicContact CD2-CD2 3.91Å; L1329-W1367 HydrophobicContact CD2-CE3 3.85Å; L1329-W1367 HydrophobicContact CD2-CH2 4.34Å; L1329-W1367 HydrophobicContact CD2-CZ2 4.37Å; L1329-W1367 HydrophobicContact CD2-CZ3 4.07Å; L1355-W1367 HydrophobicContact CB-CH2 4.46Å; V1360-W1367 HydrophobicContact CG1-CZ2 4.08Å; V1360-W1367 PolarHBondContact O-NE1 3.02Å; L1363-W1367 PolarHBondContact O-N 3.06Å; K1364-W1367 WeakPolarHBondContact O-CA 3.33Å; K1364-W1367 PolarHBondContact O-N 3.13Å; W1367-R1369 PolarHBondContact O-N 2.94Å; W1367-L1370 HydrophobicContact CE3-CD2 4.06Å; W1367-L1370 HydrophobicContact CZ3-CD2 4.1Å; W1367-L1370 VanDerWaalsContact O-CB 3.28Å; W1367-L1370 WeakPolarHBondContact O-CB 3.46Å; W1367-L1370 PolarHBondContact O-N 2.9Å; W1367-Q1375 PolarHBondContact O-NE2 3.31Å; W1367-Y1378 HydrophobicContact CH2-CD1 4.27Å; W1367-Y1378 HydrophobicContact CH2-CD2 4.34Å; W1367-Y1378 AromaticContact CH2-CE1 3.81Å; W1367-Y1378 HydrophobicContact CH2-CE1 3.81Å; W1367-Y1378 AromaticContact CH2-CE2 3.88Å; W1367-Y1378 HydrophobicContact CH2-CE2 3.88Å; W1367-Y1378 HydrophobicContact CH2-CG 4.5Å; W1367-Y1378 AromaticContact CH2-CZ 3.57Å; W1367-Y1378 AromaticContact CZ3-CD1 3.99Å; W1367-Y1378 HydrophobicContact CZ3-CD1 3.99Å; W1367-Y1378 HydrophobicContact CZ3-CD2 4.5Å; W1367-Y1378 AromaticContact CZ3-CE1 3.93Å; W1367-Y1378 HydrophobicContact CZ3-CE1 3.93Å; W1367-Y1378 HydrophobicContact CZ3-CE2 4.43Å; W1367-Y1378 HydrophobicContact CZ3-CG 4.26Å
1368D94.6Very high94.4Very high113 Ų11364.7 Ų64.760%0.60430%0.303SS*.THydrogen-bonded Turntrans-61.3-26.2177.8-46-24.5000111.4K1364K1364-D1368 VanDerWaalsContact C-CG 3.47Å; K1364-D1368 PolarHBondContact O-N 3.33Å
1369R96.1Very high94.7Very high143 Ų14365.4 Ų65.454%0.5430%0.298SS..THydrogen-bonded Turntrans-95.20.4177.5-69.6-176.5177.6-148.3-4.1114.4V1326 Q1365 W1367 P1371V1326-R1369 WeakPolarHBondContact CG1-O 3.42Å; V1326-R1369 HydrophobicContact CG2-CB 3.78Å; Q1365-R1369 WeakPolarHBondContact O-CD 3.41Å; Q1365-R1369 VanDerWaalsContact O-CG 3.32Å; Q1365-R1369 WeakPolarHBondContact O-CG 3.25Å; W1367-R1369 PolarHBondContact O-N 2.94Å; R1369-P1371 WeakPolarHBondContact O-CD 3.25Å
1370L96.8Very high94.8Very high1 Ų167.9 Ų67.91%0.00531%0.311CS..SBendtrans-79.1117.1176-177.469.9000109.1L1329 K1330 I1333 T1366 W1367 N1372 Q1375L1329-L1370 HydrophobicContact CD2-CB 4.44Å; L1329-L1370 HydrophobicContact CD2-CD1 4.3Å; L1329-L1370 HydrophobicContact CD2-CD2 4.07Å; L1329-L1370 HydrophobicContact CG-CD1 4.22Å; L1329-L1370 HydrophobicContact CG-CD2 4.28Å; K1330-L1370 HydrophobicContact CB-CD1 3.92Å; I1333-L1370 HydrophobicContact CD1-CD1 4.31Å; I1333-L1370 HydrophobicContact CD1-CD2 3.5Å; T1366-L1370 PolarHBondContact O-N 2.73Å; W1367-L1370 HydrophobicContact CE3-CD2 4.06Å; W1367-L1370 HydrophobicContact CZ3-CD2 4.1Å; W1367-L1370 VanDerWaalsContact O-CB 3.28Å; W1367-L1370 WeakPolarHBondContact O-CB 3.46Å; W1367-L1370 PolarHBondContact O-N 2.9Å; L1370-N1372 PolarHBondContact O-N 3.41Å; L1370-Q1375 HydrophobicContact CB-CG 4.27Å; L1370-Q1375 HydrophobicContact CD2-CG 3.93Å; L1370-Q1375 HydrophobicContact CG-CG 4.19Å; L1370-Q1375 WeakPolarHBondContact O-CG 3.43Å; L1370-Q1375 PolarHBondContact O-NE2 2.78Å
1371P96.4Very high94.7Very high62 Ų6268 Ų6840%0.40331%0.312SS..  trans-59.7139-175.1-24.534.2000112.4R1369 K1373 Y1374 Q1375R1369-P1371 WeakPolarHBondContact O-CD 3.25Å; P1371-K1373 PolarHBondContact O-N 3.25Å; P1371-Y1374 PolarHBondContact O-N 3.23Å; P1371-Q1375 PolarHBondContact O-N 2.86Å
1372N94.3Very high94.6Very high124 Ų12465.4 Ų65.466%0.66330%0.302SS*.Hα-helixtrans-52.4-31.3-166.6-49.226.8000113.3L1370 Y1374 Q1375 K1376L1370-N1372 PolarHBondContact O-N 3.41Å; N1372-Y1374 VanDerWaalsContact C-N 3.26Å; N1372-Y1374 PolarHBondContact O-N 2.72Å; N1372-Q1375 PolarHBondContact O-N 3.44Å; N1372-K1376 PolarHBondContact O-N 2.97Å
1373K96.1Very high94.3Very high153 Ų15364.5 Ų64.567%0.66530%0.301SS*.Hα-helixtrans-53.8-38171.3177.4167.7-176.7162.30113.9P1371 I1377P1371-K1373 PolarHBondContact O-N 3.25Å; K1373-I1377 HydrophobicContact CG-CD1 4.3Å; K1373-I1377 WeakPolarHBondContact O-CD1 3.39Å; K1373-I1377 VanDerWaalsContact O-CG1 3.25Å; K1373-I1377 WeakPolarHBondContact O-CG1 3.46Å; K1373-I1377 PolarHBondContact O-N 3.47Å
1374Y96.8Very high93.9Very high55 Ų5564.6 Ų64.622%0.21630%0.302CS..Hα-helixtrans-86.2-30.3178.5-69.4-92000112.1K1330 I1333 P1371 N1372 K1376 I1377 Y1378K1330-Y1374 HydrophobicContact CB-CD1 4.48Å; K1330-Y1374 HydrophobicContact CD-CE2 4.43Å; K1330-Y1374 HydrophobicContact CG-CD1 3.83Å; K1330-Y1374 HydrophobicContact CG-CD2 4.11Å; K1330-Y1374 HydrophobicContact CG-CE1 3.67Å; K1330-Y1374 HydrophobicContact CG-CE2 3.97Å; K1330-Y1374 HydrophobicContact CG-CG 4.05Å; I1333-Y1374 HydrophobicContact CG2-CD1 4.39Å; P1371-Y1374 PolarHBondContact O-N 3.23Å; N1372-Y1374 VanDerWaalsContact C-N 3.26Å; N1372-Y1374 PolarHBondContact O-N 2.72Å; Y1374-K1376 VanDerWaalsContact C-N 3.34Å; Y1374-I1377 PolarHBondContact O-N 3Å; Y1374-Y1378 WeakPolarHBondContact O-CB 3.29Å; Y1374-Y1378 PolarHBondContact O-N 3.36Å
1375Q95.1Very high93.3Very high65 Ų6559.7 Ų59.730%0.30428%0.282SS..Hα-helixtrans-61.3-42.7167.8-65.3172.6-18.700110.9W1367 L1370 P1371 N1372 Y1378 R1379W1367-Q1375 PolarHBondContact O-NE2 3.31Å; L1370-Q1375 HydrophobicContact CB-CG 4.27Å; L1370-Q1375 HydrophobicContact CD2-CG 3.93Å; L1370-Q1375 HydrophobicContact CG-CG 4.19Å; L1370-Q1375 WeakPolarHBondContact O-CG 3.43Å; L1370-Q1375 PolarHBondContact O-NE2 2.78Å; P1371-Q1375 PolarHBondContact O-N 2.86Å; N1372-Q1375 PolarHBondContact O-N 3.44Å; Q1375-Y1378 WeakPolarHBondContact O-CB 3.47Å; Q1375-Y1378 PolarHBondContact O-N 3.05Å; Q1375-R1379 PolarHBondContact O-N 3.01Å
1376K95.5Very high92.6Very high91 Ų9156.5 Ų56.540%0.39627%0.268SS..Hα-helixtrans-62.4-49.9173.9-172.4156.3-168.2145.80112.3D300 N1372 Y1374 Y1378 R1379 D1380D300-K1376 IonicContact OD2-NZ 3.61Å; N1372-K1376 PolarHBondContact O-N 2.97Å; Y1374-K1376 VanDerWaalsContact C-N 3.34Å; K1376-Y1378 PolarHBondContact O-N 2.98Å; K1376-R1379 PolarHBondContact O-N 3.32Å; K1376-R1379 VanDerWaalsContact O-N 3.08Å; K1376-D1380 WeakPolarHBondContact O-CB 3.42Å; K1376-D1380 PolarHBondContact O-N 2.88Å
1377I95.9Very high91.7Very high28 Ų2861.1 Ų61.114%0.14430%0.296CS..Hα-helixtrans-58.7-31.7175.3-66.7164.2000111.9I1333 K1337 K1373 Y1374 L1381I1333-I1377 HydrophobicContact CG2-CB 4.17Å; I1333-I1377 HydrophobicContact CG2-CG2 3.74Å; K1337-I1377 HydrophobicContact CB-CG2 4.23Å; K1337-I1377 HydrophobicContact CD-CG2 4.04Å; K1373-I1377 HydrophobicContact CG-CD1 4.3Å; K1373-I1377 WeakPolarHBondContact O-CD1 3.39Å; K1373-I1377 VanDerWaalsContact O-CG1 3.25Å; K1373-I1377 WeakPolarHBondContact O-CG1 3.46Å; K1373-I1377 PolarHBondContact O-N 3.47Å; Y1374-I1377 PolarHBondContact O-N 3Å; I1377-L1381 HydrophobicContact CG2-CD1 4.07Å; I1377-L1381 WeakPolarHBondContact O-CB 3.46Å; I1377-L1381 WeakPolarHBondContact O-CD1 3.39Å; I1377-L1381 WeakPolarHBondContact O-CG 3.47Å; I1377-L1381 PolarHBondContact O-N 2.81Å
1378Y95.8Very high90.3Very high23 Ų2362.2 Ų62.29%0.0931%0.309CS..Hα-helixtrans-67-52.1172.7-177.2-109.5000111.3I1333 L1352 L1355 H1356 W1367 Y1374 Q1375 K1376 D1380 L1381 S1382I1333-Y1378 HydrophobicContact CD1-CD2 4.32Å; I1333-Y1378 HydrophobicContact CG1-CD2 4.11Å; L1352-Y1378 HydrophobicContact CD2-CD2 4.18Å; L1352-Y1378 HydrophobicContact CD2-CE2 4.17Å; L1355-Y1378 HydrophobicContact CB-CE2 3.79Å; L1355-Y1378 HydrophobicContact CD1-CD2 4.1Å; L1355-Y1378 HydrophobicContact CD1-CE2 3.72Å; L1355-Y1378 HydrophobicContact CG-CE2 4.41Å; H1356-Y1378 PolarHBondContact CD2-OH 3.03Å; H1356-Y1378 AromaticContact CE1-CZ 3.58Å; H1356-Y1378 PolarHBondContact CE1-OH 2.72Å; H1356-Y1378 PolarHBondContact ND1-OH 2.81Å; H1356-Y1378 AromaticContact NE2-CZ 3.71Å; H1356-Y1378 PolarHBondContact NE2-OH 2.59Å; H1356-Y1378 VanDerWaalsContact NE2-OH 3.15Å; W1367-Y1378 HydrophobicContact CH2-CD1 4.27Å; W1367-Y1378 HydrophobicContact CH2-CD2 4.34Å; W1367-Y1378 AromaticContact CH2-CE1 3.81Å; W1367-Y1378 HydrophobicContact CH2-CE1 3.81Å; W1367-Y1378 AromaticContact CH2-CE2 3.88Å; W1367-Y1378 HydrophobicContact CH2-CE2 3.88Å; W1367-Y1378 HydrophobicContact CH2-CG 4.5Å; W1367-Y1378 AromaticContact CH2-CZ 3.57Å; W1367-Y1378 AromaticContact CZ3-CD1 3.99Å; W1367-Y1378 HydrophobicContact CZ3-CD1 3.99Å; W1367-Y1378 HydrophobicContact CZ3-CD2 4.5Å; W1367-Y1378 AromaticContact CZ3-CE1 3.93Å; W1367-Y1378 HydrophobicContact CZ3-CE1 3.93Å; W1367-Y1378 HydrophobicContact CZ3-CE2 4.43Å; W1367-Y1378 HydrophobicContact CZ3-CG 4.26Å; Y1374-Y1378 WeakPolarHBondContact O-CB 3.29Å; Y1374-Y1378 PolarHBondContact O-N 3.36Å; Q1375-Y1378 WeakPolarHBondContact O-CB 3.47Å; Q1375-Y1378 PolarHBondContact O-N 3.05Å; K1376-Y1378 PolarHBondContact O-N 2.98Å; Y1378-D1380 PolarHBondContact O-N 3.11Å; Y1378-L1381 CarbonylContact O-C 3.56Å; Y1378-L1381 WeakPolarHBondContact O-CA 3.4Å; Y1378-L1381 WeakPolarHBondContact O-CB 2.96Å; Y1378-L1381 PolarHBondContact O-N 3.02Å; Y1378-S1382 PolarHBondContact O-N 3.3Å; Y1378-S1382 PolarHBondContact O-OG 3.3Å; Y1378-S1382 VanDerWaalsContact O-OG 3.13Å
1379R93.1Very high89Confident82 Ų8260.5 Ų60.531%0.30929%0.294SS..Hα-helixtrans-55.9-48.7175.1-66.6-164.9-71.31648112D300 E301 Q1375 K1376 L1381 S1382 M1383D300-R1379 PolarHBondContact O-NH1 3.15Å; D300-R1379 PolarHBondContact O-NH2 3.49Å; D300-R1379 VanDerWaalsContact O-NH2 3.13Å; D300-R1379 IonicContact OD2-NH2 3.32Å; E301-R1379 IonicContact OE1-NH1 3.64Å; E301-R1379 PolarHBondContact OE1-NH1 3.08Å; Q1375-R1379 PolarHBondContact O-N 3.01Å; K1376-R1379 PolarHBondContact O-N 3.32Å; K1376-R1379 VanDerWaalsContact O-N 3.08Å; R1379-L1381 PolarHBondContact O-N 2.84Å; R1379-S1382 PolarHBondContact O-N 3.07Å; R1379-S1382 VanDerWaalsContact O-N 3.11Å; R1379-M1383 PolarHBondContact O-N 2.93Å
1380D91.3Very high88Confident64 Ų6457.4 Ų57.434%0.34229%0.288SS..Hα-helixtrans-56.5-22.1176.2-58.9-22.1000113.9R1340 K1376 Y1378R1340-D1380 PolarHBondContact NH1-O 3.23Å; K1376-D1380 WeakPolarHBondContact O-CB 3.42Å; K1376-D1380 PolarHBondContact O-N 2.88Å; Y1378-D1380 PolarHBondContact O-N 3.11Å
1381L93.5Very high87.2Confident4 Ų458.7 Ų58.72%0.02129%0.293CS..Hα-helixtrans-95.9-40.2176.1-75.2171000112.3A1336 K1337 R1340 M1348 L1352 I1377 Y1378 R1379 M1383 V1384A1336-L1381 HydrophobicContact CB-CD1 4.06Å; K1337-L1381 HydrophobicContact CB-CD1 4.2Å; R1340-L1381 HydrophobicContact CB-CD2 4.25Å; M1348-L1381 HydrophobicContact CG-CD2 4.4Å; M1348-L1381 HydrophobicContact SD-CD2 4.03Å; L1352-L1381 HydrophobicContact CD1-CB 3.89Å; L1352-L1381 HydrophobicContact CD2-CB 3.79Å; L1352-L1381 HydrophobicContact CD2-CD1 4.28Å; L1352-L1381 HydrophobicContact CG-CB 4.48Å; I1377-L1381 HydrophobicContact CG2-CD1 4.07Å; I1377-L1381 WeakPolarHBondContact O-CB 3.46Å; I1377-L1381 WeakPolarHBondContact O-CD1 3.39Å; I1377-L1381 WeakPolarHBondContact O-CG 3.47Å; I1377-L1381 PolarHBondContact O-N 2.81Å; Y1378-L1381 CarbonylContact O-C 3.56Å; Y1378-L1381 WeakPolarHBondContact O-CA 3.4Å; Y1378-L1381 WeakPolarHBondContact O-CB 2.96Å; Y1378-L1381 PolarHBondContact O-N 3.02Å; R1379-L1381 PolarHBondContact O-N 2.84Å; L1381-M1383 PolarHBondContact O-N 3.08Å; L1381-V1384 WeakPolarHBondContact O-CB 3.29Å; L1381-V1384 PolarHBondContact O-N 3.41Å
1382S90.1Very high86.4Confident24 Ų2458.2 Ų58.217%0.16829%0.286CS..Hα-helixtrans-61.2-29.6178.8-64.40000112.9H1356 Y1378 R1379 V1384 L1385H1356-S1382 PolarHBondContact CE1-OG 3.07Å; H1356-S1382 PolarHBondContact NE2-OG 3.42Å; Y1378-S1382 PolarHBondContact O-N 3.3Å; Y1378-S1382 PolarHBondContact O-OG 3.3Å; Y1378-S1382 VanDerWaalsContact O-OG 3.13Å; R1379-S1382 PolarHBondContact O-N 3.07Å; R1379-S1382 VanDerWaalsContact O-N 3.11Å; S1382-V1384 PolarHBondContact O-N 3.15Å; S1382-L1385 WeakPolarHBondContact O-CB 3.19Å; S1382-L1385 PolarHBondContact O-N 2.84Å
1383M85.4Confident85.8Confident44 Ų4454.7 Ų54.722%0.21727%0.265CS..THydrogen-bonded Turntrans-53.7-23.6171-66.1-173.182.700113.8R1379 L1381 D1386 H1393R1379-M1383 PolarHBondContact O-N 2.93Å; L1381-M1383 PolarHBondContact O-N 3.08Å; M1383-D1386 WeakPolarHBondContact O-CB 3.48Å; M1383-H1393 WeakPolarHBondContact O-CB 3.41Å
1384V84.9Confident85.4Confident4 Ų447.7 Ų47.72%0.02424%0.235CC..THydrogen-bonded Turntrans-81.3-17177.8-165.40000112.2M1348 F1349 L1381 S1382 Y1394 L1397M1348-V1384 HydrophobicContact CE-CB 4.02Å; M1348-V1384 HydrophobicContact CE-CG1 3.85Å; F1349-V1384 HydrophobicContact CE2-CG1 3.93Å; F1349-V1384 HydrophobicContact CZ-CG1 4.15Å; F1349-V1384 VanDerWaalsContact CZ-O 3.29Å; F1349-V1384 WeakPolarHBondContact CZ-O 3.48Å; L1381-V1384 WeakPolarHBondContact O-CB 3.29Å; L1381-V1384 PolarHBondContact O-N 3.41Å; S1382-V1384 PolarHBondContact O-N 3.15Å; V1384-Y1394 HydrophobicContact CG1-CD2 3.9Å; V1384-Y1394 HydrophobicContact CG1-CG 4.33Å; V1384-L1397 HydrophobicContact CG1-CD1 3.97Å; V1384-L1397 HydrophobicContact CG2-CD1 3.88Å
1385L82.4Confident84.8Confident29 Ų2948.2 Ų48.215%0.15224%0.236CC..SBendtrans-82.9-11.2171.9-60-168.9000113.5F1349 L1352 V1353 S1382 T1387 F1391F1349-L1385 HydrophobicContact CD1-CD2 3.31Å; F1349-L1385 HydrophobicContact CE1-CD2 3.5Å; F1349-L1385 VanDerWaalsContact CE1-CD2 3.5Å; F1349-L1385 HydrophobicContact CG-CD2 3.88Å; F1349-L1385 HydrophobicContact CZ-CD2 4.2Å; L1352-L1385 HydrophobicContact CB-CD1 3.77Å; L1352-L1385 HydrophobicContact CB-CD2 4.27Å; L1352-L1385 HydrophobicContact CB-CG 4.21Å; L1352-L1385 HydrophobicContact CD1-CD2 4.48Å; L1352-L1385 HydrophobicContact CD1-CG 4.47Å; V1353-L1385 HydrophobicContact CG2-CD1 4.23Å; V1353-L1385 HydrophobicContact CG2-CD2 4.21Å; S1382-L1385 WeakPolarHBondContact O-CB 3.19Å; S1382-L1385 PolarHBondContact O-N 2.84Å; L1385-T1387 PolarHBondContact O-N 2.92Å; L1385-T1387 VanDerWaalsContact O-N 3.12Å; L1385-F1391 WeakPolarHBondContact O-CE1 3.24Å
1386D77.5Confident84.2Confident47 Ų4747.3 Ų47.325%0.25124%0.235SC..  trans-51.2118.7179.5167.535.2000110.9M1383 S1388 F1391 H1393M1383-D1386 WeakPolarHBondContact O-CB 3.48Å; D1386-S1388 VanDerWaalsContact C-N 3.26Å; D1386-S1388 PolarHBondContact O-N 2.95Å; D1386-S1388 WeakPolarHBondContact OD1-CB 3.48Å; D1386-S1388 PolarHBondContact OD1-N 2.93Å; D1386-S1388 PolarHBondContact OD1-OG 2.9Å; D1386-S1388 WeakPolarHBondContact OD2-CB 3.37Å; D1386-F1391 WeakPolarHBondContact O-CA 3.43Å; D1386-F1391 WeakPolarHBondContact O-CD1 3.46Å; D1386-H1393 IonicContact OD2-CE1 3.32Å; D1386-H1393 PolarHBondContact OD2-CE1 3.08Å; D1386-H1393 IonicContact OD2-ND1 2.72Å; D1386-H1393 PolarHBondContact OD2-ND1 3.02Å
1387T76.9Confident83.6Confident97 Ų9745.3 Ų45.360%0.59523%0.229SC*.  trans-78.3-13.1-177.568.70000112.7L1385 N1390 F1391L1385-T1387 PolarHBondContact O-N 2.92Å; L1385-T1387 VanDerWaalsContact O-N 3.12Å; T1387-N1390 WeakPolarHBondContact O-CA 3.22Å; T1387-N1390 PolarHBondContact O-N 2.85Å; T1387-F1391 HydrophobicContact CG2-CE1 3.81Å; T1387-F1391 HydrophobicContact CG2-CZ 3.78Å; T1387-F1391 PolarHBondContact O-N 3.32Å; T1387-F1391 VanDerWaalsContact O-N 3.09Å
1388S67.8Low83Confident53 Ų5346 Ų4637%0.37123%0.232SC..Hα-helixtrans-56.6141.1-173.1-55.80000112.4D1386 N1390 F1391 H1392D1386-S1388 VanDerWaalsContact C-N 3.26Å; D1386-S1388 PolarHBondContact O-N 2.95Å; D1386-S1388 WeakPolarHBondContact OD1-CB 3.48Å; D1386-S1388 PolarHBondContact OD1-N 2.93Å; D1386-S1388 PolarHBondContact OD1-OG 2.9Å; D1386-S1388 WeakPolarHBondContact OD2-CB 3.37Å; S1388-N1390 PolarHBondContact O-N 2.83Å; S1388-N1390 VanDerWaalsContact O-N 3.16Å; S1388-F1391 PolarHBondContact O-N 3.27Å; S1388-H1392 PolarHBondContact O-N 2.88Å
1389R66.4Low82Confident78 Ų7849.2 Ų49.229%0.29426%0.258SS..Hα-helixtrans4939.2-175.9-50-174.3-162.4-158.58.7112.7H308 H1392H308-R1389 PolarHBondContact CD2-NH2 3.35Å; H308-R1389 PolarHBondContact NE2-NE 3.25Å; H308-R1389 PolarHBondContact NE2-NH2 2.81Å; R1389-H1392 HydrophobicContact CB-CB 3.95Å
1390N76.4Confident81.1Confident77 Ų7746.3 Ų46.341%0.41225%0.251SS..Hα-helixtrans58.660.8-175.4-173.214.9000113.4T1387 S1388 H1392 R1395T1387-N1390 WeakPolarHBondContact O-CA 3.22Å; T1387-N1390 PolarHBondContact O-N 2.85Å; S1388-N1390 PolarHBondContact O-N 2.83Å; S1388-N1390 VanDerWaalsContact O-N 3.16Å; N1390-H1392 PolarHBondContact O-N 3.39Å; N1390-R1395 VanDerWaalsContact CG-NH2 3.33Å; N1390-R1395 PolarHBondContact ND2-NH2 3.22Å; N1390-R1395 VanDerWaalsContact ND2-NH2 3.16Å; N1390-R1395 WeakPolarHBondContact O-CD 3.46Å; N1390-R1395 PolarHBondContact O-NE 3.18Å; N1390-R1395 PolarHBondContact OD1-NH2 3.41Å
1391F80.5Confident79.3Confident29 Ų2950 Ų5013%0.12727%0.272CS..Hα-helixtrans57.243.5179.1-60.8-88.9000113.8L1385 D1386 T1387 S1388 H1393 Y1394 R1395 L1413L1385-F1391 WeakPolarHBondContact O-CE1 3.24Å; D1386-F1391 WeakPolarHBondContact O-CA 3.43Å; D1386-F1391 WeakPolarHBondContact O-CD1 3.46Å; T1387-F1391 HydrophobicContact CG2-CE1 3.81Å; T1387-F1391 HydrophobicContact CG2-CZ 3.78Å; T1387-F1391 PolarHBondContact O-N 3.32Å; T1387-F1391 VanDerWaalsContact O-N 3.09Å; S1388-F1391 PolarHBondContact O-N 3.27Å; F1391-H1393 VanDerWaalsContact C-N 3.32Å; F1391-H1393 PolarHBondContact O-N 3.15Å; F1391-Y1394 PolarHBondContact O-N 3.03Å; F1391-Y1394 VanDerWaalsContact O-N 3.09Å; F1391-R1395 PolarHBondContact O-N 3.42Å; F1391-L1413 HydrophobicContact CB-CD2 3.93Å; F1391-L1413 HydrophobicContact CD1-CD2 4.44Å; F1391-L1413 HydrophobicContact CD2-CD1 3.57Å; F1391-L1413 HydrophobicContact CD2-CD2 3.69Å; F1391-L1413 HydrophobicContact CD2-CG 4.31Å; F1391-L1413 HydrophobicContact CE2-CD1 3.67Å; F1391-L1413 HydrophobicContact CE2-CD2 4.26Å; F1391-L1413 HydrophobicContact CG-CD1 4.49Å; F1391-L1413 HydrophobicContact CG-CD2 3.79Å
1392H78.8Confident77.7Confident52 Ų5256.2 Ų56.224%0.24130%0.304CS..Hα-helixtrans-56-43.8-174.417688.8000112.7S1388 R1389 N1390 Y1394 R1395 T1396S1388-H1392 PolarHBondContact O-N 2.88Å; R1389-H1392 HydrophobicContact CB-CB 3.95Å; N1390-H1392 PolarHBondContact O-N 3.39Å; H1392-Y1394 VanDerWaalsContact C-N 3.31Å; H1392-Y1394 PolarHBondContact O-N 3.08Å; H1392-R1395 PolarHBondContact O-N 2.96Å; H1392-T1396 PolarHBondContact CE1-OG1 2.85Å; H1392-T1396 PolarHBondContact NE2-OG1 2.76Å; H1392-T1396 WeakPolarHBondContact O-CB 3.43Å; H1392-T1396 PolarHBondContact O-N 2.89Å; H1392-T1396 PolarHBondContact O-OG1 3.02Å; H1392-T1396 VanDerWaalsContact O-OG1 3.13Å
1393H81.9Confident76.5Confident50 Ų5056.6 Ų56.623%0.23131%0.306CS..Hα-helixtrans-55.9-42.4177.1-72.7111.8000112.8M1383 D1386 F1391 L1397M1383-H1393 WeakPolarHBondContact O-CB 3.41Å; D1386-H1393 IonicContact OD2-CE1 3.32Å; D1386-H1393 PolarHBondContact OD2-CE1 3.08Å; D1386-H1393 IonicContact OD2-ND1 2.72Å; D1386-H1393 PolarHBondContact OD2-ND1 3.02Å; F1391-H1393 VanDerWaalsContact C-N 3.32Å; F1391-H1393 PolarHBondContact O-N 3.15Å; H1393-L1397 WeakPolarHBondContact O-CG 3.2Å; H1393-L1397 PolarHBondContact O-N 2.78Å
1394Y87.7Confident76Confident6 Ų658.4 Ų58.42%0.02432%0.323CS..Hα-helixtrans-70.7-45.1175.5175.5-123.6000112.9F1345 F1349 V1384 F1391 H1392 T1396 L1397 L1398 P1409 Y1410 L1413F1345-Y1394 HydrophobicContact CB-CE2 3.72Å; F1345-Y1394 HydrophobicContact CD1-CD2 4.3Å; F1345-Y1394 AromaticContact CD1-CE2 3.82Å; F1345-Y1394 HydrophobicContact CD1-CE2 3.82Å; F1345-Y1394 HydrophobicContact CD2-CE2 4.23Å; F1345-Y1394 HydrophobicContact CE1-CE2 4.49Å; F1345-Y1394 AromaticContact CG-CE2 3.66Å; F1345-Y1394 HydrophobicContact CG-CE2 3.66Å; F1349-Y1394 HydrophobicContact CE2-CD1 4.43Å; F1349-Y1394 AromaticContact CE2-CD2 3.6Å; F1349-Y1394 HydrophobicContact CE2-CD2 3.6Å; F1349-Y1394 AromaticContact CE2-CE2 3.76Å; F1349-Y1394 HydrophobicContact CE2-CE2 3.76Å; F1349-Y1394 AromaticContact CE2-CG 3.95Å; F1349-Y1394 HydrophobicContact CE2-CG 3.95Å; F1349-Y1394 HydrophobicContact CZ-CD1 4.1Å; F1349-Y1394 AromaticContact CZ-CD2 3.92Å; F1349-Y1394 HydrophobicContact CZ-CD2 3.92Å; F1349-Y1394 HydrophobicContact CZ-CE2 4.37Å; F1349-Y1394 AromaticContact CZ-CG 3.77Å; F1349-Y1394 HydrophobicContact CZ-CG 3.77Å; V1384-Y1394 HydrophobicContact CG1-CD2 3.9Å; V1384-Y1394 HydrophobicContact CG1-CG 4.33Å; F1391-Y1394 PolarHBondContact O-N 3.03Å; F1391-Y1394 VanDerWaalsContact O-N 3.09Å; H1392-Y1394 VanDerWaalsContact C-N 3.31Å; H1392-Y1394 PolarHBondContact O-N 3.08Å; Y1394-T1396 VanDerWaalsContact C-N 3.32Å; Y1394-T1396 PolarHBondContact O-N 3.2Å; Y1394-L1397 WeakPolarHBondContact O-CB 3.26Å; Y1394-L1397 PolarHBondContact O-N 2.82Å; Y1394-L1397 VanDerWaalsContact O-N 3.14Å; Y1394-L1398 HydrophobicContact CD1-CD1 4.27Å; Y1394-L1398 HydrophobicContact CD2-CG 4.36Å; Y1394-L1398 HydrophobicContact CE1-CD1 3.66Å; Y1394-L1398 HydrophobicContact CE1-CG 4.27Å; Y1394-L1398 HydrophobicContact CE2-CD1 4.16Å; Y1394-L1398 HydrophobicContact CE2-CD2 3.94Å; Y1394-L1398 HydrophobicContact CE2-CG 3.89Å; Y1394-L1398 PolarHBondContact O-N 3.02Å; Y1394-P1409 WeakPolarHBondContact OH-CA 3.28Å; Y1394-Y1410 PolarHBondContact OH-N 3.14Å; Y1394-L1413 HydrophobicContact CD1-CD2 3.64Å; Y1394-L1413 HydrophobicContact CE1-CD2 3.85Å
1395R84.9Confident75.9Confident66 Ų6659.6 Ų59.625%0.24933%0.333CS..Hα-helixtrans-65.9-34.4-179.2-65.9-174.6-166.8-891.9112.5N1390 F1391 H1392 L1398 S1399 D1417N1390-R1395 VanDerWaalsContact CG-NH2 3.33Å; N1390-R1395 PolarHBondContact ND2-NH2 3.22Å; N1390-R1395 VanDerWaalsContact ND2-NH2 3.16Å; N1390-R1395 WeakPolarHBondContact O-CD 3.46Å; N1390-R1395 PolarHBondContact O-NE 3.18Å; N1390-R1395 PolarHBondContact OD1-NH2 3.41Å; F1391-R1395 PolarHBondContact O-N 3.42Å; H1392-R1395 PolarHBondContact O-N 2.96Å; R1395-L1398 PolarHBondContact O-N 2.63Å; R1395-S1399 VanDerWaalsContact O-CB 3.29Å; R1395-S1399 WeakPolarHBondContact O-CB 3.47Å; R1395-S1399 PolarHBondContact O-N 2.7Å; R1395-S1399 PolarHBondContact O-OG 3.07Å; R1395-D1417 IonicContact CZ-OD1 2.79Å; R1395-D1417 IonicContact CZ-OD2 3.56Å; R1395-D1417 VanDerWaalsContact CZ-OD2 3.24Å; R1395-D1417 IonicContact NH1-OD1 2.7Å; R1395-D1417 IonicContact NH1-OD2 2.7Å; R1395-D1417 PolarHBondContact NH1-OD2 3.08Å; R1395-D1417 IonicContact NH2-OD1 3.62Å; R1395-D1417 PolarHBondContact NH2-OD1 2.96Å; R1395-D1417 IonicContact NH2-OD2 2.63Å; R1395-D1417 PolarHBondContact NH2-OD2 2.96Å
1396T81.4Confident76.1Confident46 Ų4659.1 Ų59.128%0.28233%0.332SS..Hα-helixtrans-67.3-36.3173-65.40000111.6H1392 Y1394 S1399 A1400H1392-T1396 PolarHBondContact CE1-OG1 2.85Å; H1392-T1396 PolarHBondContact NE2-OG1 2.76Å; H1392-T1396 WeakPolarHBondContact O-CB 3.43Å; H1392-T1396 PolarHBondContact O-N 2.89Å; H1392-T1396 PolarHBondContact O-OG1 3.02Å; H1392-T1396 VanDerWaalsContact O-OG1 3.13Å; Y1394-T1396 VanDerWaalsContact C-N 3.32Å; Y1394-T1396 PolarHBondContact O-N 3.2Å; T1396-S1399 PolarHBondContact O-N 3.01Å; T1396-A1400 PolarHBondContact O-N 3.48Å; T1396-A1400 VanDerWaalsContact O-N 3.13Å
1397L84Confident76.7Confident49 Ų4957.5 Ų57.526%0.25732%0.323SS..Hα-helixtrans-65.8-41.1171-72.4171.1000112.6V1384 H1393 Y1394 S1399 V1403V1384-L1397 HydrophobicContact CG1-CD1 3.97Å; V1384-L1397 HydrophobicContact CG2-CD1 3.88Å; H1393-L1397 WeakPolarHBondContact O-CG 3.2Å; H1393-L1397 PolarHBondContact O-N 2.78Å; Y1394-L1397 WeakPolarHBondContact O-CB 3.26Å; Y1394-L1397 PolarHBondContact O-N 2.82Å; Y1394-L1397 VanDerWaalsContact O-N 3.14Å; L1397-S1399 VanDerWaalsContact C-N 3.28Å; L1397-S1399 PolarHBondContact O-N 2.77Å; L1397-V1403 WeakPolarHBondContact O-CG2 3.4Å
1398L82.6Confident77.4Confident42 Ų4253 Ų5322%0.2230%0.295CS..Hα-helixtrans-65.5-30174.1-69.6-177.2000113.3F1345 Y1394 R1395 M1407 M1452F1345-L1398 HydrophobicContact CD2-CD2 4.1Å; F1345-L1398 HydrophobicContact CE2-CD2 4.05Å; Y1394-L1398 HydrophobicContact CD1-CD1 4.27Å; Y1394-L1398 HydrophobicContact CD2-CG 4.36Å; Y1394-L1398 HydrophobicContact CE1-CD1 3.66Å; Y1394-L1398 HydrophobicContact CE1-CG 4.27Å; Y1394-L1398 HydrophobicContact CE2-CD1 4.16Å; Y1394-L1398 HydrophobicContact CE2-CD2 3.94Å; Y1394-L1398 HydrophobicContact CE2-CG 3.89Å; Y1394-L1398 PolarHBondContact O-N 3.02Å; R1395-L1398 PolarHBondContact O-N 2.63Å; L1398-M1407 HydrophobicContact CD2-SD 3.86Å; L1398-M1452 HydrophobicContact CD1-CE 4.43Å; L1398-M1452 HydrophobicContact CD2-CE 3.88Å
1399S75.6Confident78.5Confident90 Ų9050.6 Ų50.663%0.62928%0.278SS*.Hα-helixtrans-93.9-5.2-174-53.30000113.9R1395 T1396 L1397 N1401R1395-S1399 VanDerWaalsContact O-CB 3.29Å; R1395-S1399 WeakPolarHBondContact O-CB 3.47Å; R1395-S1399 PolarHBondContact O-N 2.7Å; R1395-S1399 PolarHBondContact O-OG 3.07Å; T1396-S1399 PolarHBondContact O-N 3.01Å; L1397-S1399 VanDerWaalsContact C-N 3.28Å; L1397-S1399 PolarHBondContact O-N 2.77Å; S1399-N1401 PolarHBondContact O-N 3.29Å
1400A73.9Confident79.8Confident21 Ų2148.6 Ų48.617%0.17427%0.271CS..SBendtrans-69.9129.7-178.800000111.3T229 T1396 N1402 V1403T229-A1400 HydrophobicContact CG2-CB 4.11Å; T1396-A1400 PolarHBondContact O-N 3.48Å; T1396-A1400 VanDerWaalsContact O-N 3.13Å; A1400-N1402 PolarHBondContact O-N 3.26Å; A1400-V1403 HydrophobicContact CB-CG2 4.3Å; A1400-V1403 PolarHBondContact O-N 2.92Å
1401N53.4Low80.6Confident143 Ų14345.1 Ų45.177%0.76525%0.252SS*.THydrogen-bonded Turntrans-53.1-17.7-174.1-66.8-17.8000116.2S1399S1399-N1401 PolarHBondContact O-N 3.29Å
1402N59.6Low81Confident133 Ų13346.1 Ų46.171%0.71126%0.262SS*.THydrogen-bonded Turntrans-86.4-13.7178.1-61.7-26.4000113.4A1400 S1404A1400-N1402 PolarHBondContact O-N 3.26Å; N1402-S1404 PolarHBondContact O-N 3.47Å
1403V65.6Low81.5Confident33 Ų3344 Ų4420%0.225%0.252CS..  trans-97.489.6-175.6-173.70000108.8L1343 L1397 A1400 M1407L1343-V1403 HydrophobicContact CD1-CG1 4.12Å; L1343-V1403 HydrophobicContact CD2-CG1 4.11Å; L1397-V1403 WeakPolarHBondContact O-CG2 3.4Å; A1400-V1403 HydrophobicContact CB-CG2 4.3Å; A1400-V1403 PolarHBondContact O-N 2.92Å; V1403-M1407 HydrophobicContact CG1-CE 3.76Å; V1403-M1407 HydrophobicContact CG1-SD 3.95Å; V1403-M1407 WeakPolarHBondContact O-CE 3.35Å
1404S74.3Confident81.9Confident82 Ų8242.5 Ų42.557%0.57325%0.246SC*.PPolyproline II helixtrans-102.4158.5177.457.50000111.5N1402N1402-S1404 PolarHBondContact O-N 3.47Å
1405A81.9Confident82Confident29 Ų2943.2 Ų43.224%0.2425%0.25CS..SBendtrans-63140.4173.100000110.3R1451 V1455A1405-R1451 WeakPolarHBondContact CB-O 3.45Å; A1405-V1455 HydrophobicContact CB-CB 4.47Å; A1405-V1455 HydrophobicContact CB-CG2 3.86Å
1406P86.4Confident82.1Confident18 Ų1844.1 Ų44.112%0.11726%0.256CS..SBendcis-85.3137.416.234.9-36.9000114.1Y1249 V1455 Y1457Y1249-P1406 HydrophobicContact CE1-CB 4.32Å; Y1249-P1406 HydrophobicContact CE2-CB 3.9Å; Y1249-P1406 VanDerWaalsContact OH-CB 3.32Å; Y1249-P1406 WeakPolarHBondContact OH-CB 3.33Å; P1406-V1455 HydrophobicContact CB-CB 4.44Å; P1406-Y1457 HydrophobicContact CB-CD2 3.74Å; P1406-Y1457 HydrophobicContact CB-CE2 4.3Å; P1406-Y1457 HydrophobicContact CB-CG 4.5Å; P1406-Y1457 HydrophobicContact CG-CD2 3.89Å; P1406-Y1457 HydrophobicContact CG-CE2 4.24Å; P1406-Y1457 HydrophobicContact CG-CG 4.42Å
1407M89.9Confident82.2Confident14 Ų1443.1 Ų43.17%0.06925%0.249CC..  trans-149.2160.7171.871175.598.700110.5L1343 L1398 V1403 M1452L1343-M1407 HydrophobicContact CB-CB 3.86Å; L1343-M1407 HydrophobicContact CD1-CB 4.42Å; L1398-M1407 HydrophobicContact CD2-SD 3.86Å; V1403-M1407 HydrophobicContact CG1-CE 3.76Å; V1403-M1407 HydrophobicContact CG1-SD 3.95Å; V1403-M1407 WeakPolarHBondContact O-CE 3.35Å; M1407-M1452 HydrophobicContact CE-CE 4.5Å; M1407-M1452 HydrophobicContact CG-CB 4.08Å; M1407-M1452 HydrophobicContact CG-CE 3.82Å; M1407-M1452 HydrophobicContact CG-CG 4.19Å; M1407-M1452 HydrophobicContact SD-CE 3.44Å; M1407-M1452 WeakPolarHBondContact SD-CE 3.23Å
1408L92Very high82.5Confident1 Ų140.8 Ų40.81%0.00524%0.237CC..BIsolated β-bridgetrans-117.9109.5-178.6-157.779000111.1D1248 Y1249 F1252 F1301 L1343 N1344 F1345 N1346D1248-L1408 HydrophobicContact CB-CD2 3.53Å; Y1249-L1408 HydrophobicContact CD2-CD1 3.86Å; F1252-L1408 HydrophobicContact CB-CD1 3.52Å; F1252-L1408 HydrophobicContact CD1-CD1 3.44Å; F1252-L1408 VanDerWaalsContact CD1-CD1 3.44Å; F1252-L1408 HydrophobicContact CE1-CD1 4.31Å; F1252-L1408 HydrophobicContact CG-CD1 3.68Å; F1301-L1408 HydrophobicContact CZ-CD1 4.44Å; L1343-L1408 PolarHBondContact O-N 2.84Å; N1344-L1408 WeakPolarHBondContact OD1-CD2 3.13Å; F1345-L1408 WeakPolarHBondContact CB-O 3.43Å; F1345-L1408 PolarHBondContact N-O 2.89Å; N1346-L1408 HydrophobicContact CB-CD2 3.49Å; N1346-L1408 VanDerWaalsContact CB-CD2 3.49Å; N1346-L1408 HydrophobicContact CB-CG 3.99Å; N1346-L1408 PolarHBondContact N-O 3.18Å
1409P92.5Very high82.5Confident3 Ų341.6 Ų41.62%0.01924%0.244CC..  trans-73.4160.7177.531.3-34.9000112.3F1252 Y1394 L1411 V1414 M1452F1252-P1409 HydrophobicContact CE1-CG 4.25Å; F1252-P1409 HydrophobicContact CE2-CG 4.04Å; F1252-P1409 HydrophobicContact CZ-CG 3.65Å; Y1394-P1409 WeakPolarHBondContact OH-CA 3.28Å; P1409-L1411 PolarHBondContact O-N 3.3Å; P1409-V1414 HydrophobicContact CB-CG2 4.14Å; P1409-V1414 HydrophobicContact CG-CG2 4.47Å; P1409-M1452 HydrophobicContact CB-CE 3.82Å; P1409-M1452 HydrophobicContact CB-SD 4.07Å; P1409-M1452 HydrophobicContact CG-CE 4.17Å; P1409-M1452 HydrophobicContact CG-SD 3.85Å
1410Y93Very high82.7Confident36 Ų3644 Ų4414%0.14124%0.243CC..  trans-79.3108.7172.4-179.9-126.6000110.6V1305 F1349 Y1394 P1412 L1413 V1414V1305-Y1410 HydrophobicContact CG1-CE2 4.4Å; F1349-Y1410 HydrophobicContact CB-CD1 4.1Å; F1349-Y1410 HydrophobicContact CB-CD2 3.34Å; F1349-Y1410 HydrophobicContact CB-CE1 4.31Å; F1349-Y1410 HydrophobicContact CB-CE2 3.58Å; F1349-Y1410 HydrophobicContact CB-CG 3.61Å; F1349-Y1410 AromaticContact CD1-CD1 3.41Å; F1349-Y1410 HydrophobicContact CD1-CD1 3.41Å; F1349-Y1410 VanDerWaalsContact CD1-CD1 3.41Å; F1349-Y1410 HydrophobicContact CD1-CD2 4.28Å; F1349-Y1410 AromaticContact CD1-CE1 3.64Å; F1349-Y1410 HydrophobicContact CD1-CE1 3.64Å; F1349-Y1410 HydrophobicContact CD1-CE2 4.46Å; F1349-Y1410 AromaticContact CD1-CG 3.76Å; F1349-Y1410 HydrophobicContact CD1-CG 3.76Å; F1349-Y1410 HydrophobicContact CD2-CG 4.22Å; F1349-Y1410 AromaticContact CE1-CD1 3.92Å; F1349-Y1410 HydrophobicContact CE1-CD1 3.92Å; F1349-Y1410 HydrophobicContact CE1-CE1 4.33Å; F1349-Y1410 HydrophobicContact CE1-CG 4.48Å; F1349-Y1410 AromaticContact CG-CD1 3.8Å; F1349-Y1410 HydrophobicContact CG-CD1 3.8Å; F1349-Y1410 AromaticContact CG-CD2 3.92Å; F1349-Y1410 HydrophobicContact CG-CD2 3.92Å; F1349-Y1410 HydrophobicContact CG-CE1 4.25Å; F1349-Y1410 HydrophobicContact CG-CE2 4.35Å; F1349-Y1410 AromaticContact CG-CG 3.61Å; F1349-Y1410 HydrophobicContact CG-CG 3.61Å; Y1394-Y1410 PolarHBondContact OH-N 3.14Å; Y1410-P1412 HydrophobicContact CD2-CG 4.38Å; Y1410-P1412 HydrophobicContact CE1-CB 4.01Å; Y1410-P1412 HydrophobicContact CE1-CG 4.08Å; Y1410-P1412 VanDerWaalsContact CE2-CD 3.48Å; Y1410-P1412 HydrophobicContact CE2-CG 3.79Å; Y1410-L1413 HydrophobicContact CD1-CB 4.05Å; Y1410-L1413 PolarHBondContact O-N 3.21Å; Y1410-V1414 PolarHBondContact O-N 2.97Å
1411L92.5Very high83Confident4 Ų444.3 Ų44.32%0.02124%0.242CC..Hα-helixtrans-56-43.9-170.1-179.669.1000114.6Y1260 L1298 F1301 T1302 V1305 N1346 P1409 L1413 V1414 L1415Y1260-L1411 HydrophobicContact CE1-CD1 4.27Å; L1298-L1411 HydrophobicContact CD1-CD1 3.91Å; L1298-L1411 HydrophobicContact CD1-CD2 4.22Å; F1301-L1411 HydrophobicContact CB-CD2 4.16Å; F1301-L1411 HydrophobicContact CD1-CB 4.29Å; F1301-L1411 HydrophobicContact CD1-CD1 3.93Å; F1301-L1411 HydrophobicContact CD1-CD2 3.6Å; F1301-L1411 HydrophobicContact CD1-CG 4.14Å; F1301-L1411 HydrophobicContact CE1-CB 3.92Å; F1301-L1411 HydrophobicContact CE1-CD1 4.01Å; F1301-L1411 HydrophobicContact CE1-CD2 4.11Å; F1301-L1411 HydrophobicContact CE1-CG 4.23Å; F1301-L1411 HydrophobicContact CG-CD2 3.92Å; F1301-L1411 HydrophobicContact CZ-CB 4.35Å; T1302-L1411 WeakPolarHBondContact OG1-CD2 3.15Å; V1305-L1411 HydrophobicContact CG2-CB 4.05Å; V1305-L1411 HydrophobicContact CG2-CD2 4.17Å; N1346-L1411 PolarHBondContact OD1-N 3.09Å; P1409-L1411 PolarHBondContact O-N 3.3Å; L1411-L1413 VanDerWaalsContact C-N 3.27Å; L1411-L1413 PolarHBondContact O-N 3.1Å; L1411-V1414 WeakPolarHBondContact O-CB 3.45Å; L1411-V1414 PolarHBondContact O-N 2.97Å; L1411-V1414 VanDerWaalsContact O-N 3.08Å; L1411-L1415 HydrophobicContact CD1-CD1 4.17Å; L1411-L1415 HydrophobicContact CD1-CD2 4.32Å; L1411-L1415 HydrophobicContact CD1-CG 3.98Å; L1411-L1415 HydrophobicContact CD2-CD1 4.24Å; L1411-L1415 HydrophobicContact CG-CD1 3.9Å; L1411-L1415 HydrophobicContact CG-CG 4.1Å; L1411-L1415 PolarHBondContact O-N 2.91Å
1412P90.2Very high84.6Confident50 Ų5039.4 Ų39.433%0.32521%0.214SC..Hα-helixtrans-62.9-29.4-177.4-26.137.9000114.1V1305 Y1410 K1416V1305-P1412 HydrophobicContact CG1-CG 3.78Å; Y1410-P1412 HydrophobicContact CD2-CG 4.38Å; Y1410-P1412 HydrophobicContact CE1-CB 4.01Å; Y1410-P1412 HydrophobicContact CE1-CG 4.08Å; Y1410-P1412 VanDerWaalsContact CE2-CD 3.48Å; Y1410-P1412 HydrophobicContact CE2-CG 3.79Å; P1412-K1416 VanDerWaalsContact O-CB 3.25Å; P1412-K1416 WeakPolarHBondContact O-CB 3.48Å; P1412-K1416 PolarHBondContact O-N 3.31Å
1413L87.8Confident85.5Confident7 Ų739.5 Ų39.54%0.03721%0.214CC..Hα-helixtrans-75.1-36.2174.6-176.854.8000111.7F1391 Y1394 Y1410 L1411 K1416 D1417F1391-L1413 HydrophobicContact CB-CD2 3.93Å; F1391-L1413 HydrophobicContact CD1-CD2 4.44Å; F1391-L1413 HydrophobicContact CD2-CD1 3.57Å; F1391-L1413 HydrophobicContact CD2-CD2 3.69Å; F1391-L1413 HydrophobicContact CD2-CG 4.31Å; F1391-L1413 HydrophobicContact CE2-CD1 3.67Å; F1391-L1413 HydrophobicContact CE2-CD2 4.26Å; F1391-L1413 HydrophobicContact CG-CD1 4.49Å; F1391-L1413 HydrophobicContact CG-CD2 3.79Å; Y1394-L1413 HydrophobicContact CD1-CD2 3.64Å; Y1394-L1413 HydrophobicContact CE1-CD2 3.85Å; Y1410-L1413 HydrophobicContact CD1-CB 4.05Å; Y1410-L1413 PolarHBondContact O-N 3.21Å; L1411-L1413 VanDerWaalsContact C-N 3.27Å; L1411-L1413 PolarHBondContact O-N 3.1Å; L1413-K1416 HydrophobicContact CD1-CD 4.02Å; L1413-K1416 WeakPolarHBondContact O-CB 3.39Å; L1413-K1416 PolarHBondContact O-N 3.28Å; L1413-D1417 PolarHBondContact O-N 3.2Å
1414V90.5Very high85.9Confident19 Ų1941 Ų4112%0.11524%0.235CC..Hα-helixtrans-60.8-48.7171.6161.70000111.1P1409 Y1410 L1411 K1416 D1417 L1418 I1449P1409-V1414 HydrophobicContact CB-CG2 4.14Å; P1409-V1414 HydrophobicContact CG-CG2 4.47Å; Y1410-V1414 PolarHBondContact O-N 2.97Å; L1411-V1414 WeakPolarHBondContact O-CB 3.45Å; L1411-V1414 PolarHBondContact O-N 2.97Å; L1411-V1414 VanDerWaalsContact O-N 3.08Å; V1414-K1416 VanDerWaalsContact C-N 3.34Å; V1414-K1416 PolarHBondContact O-N 2.9Å; V1414-D1417 PolarHBondContact O-N 3.16Å; V1414-L1418 HydrophobicContact CG1-CD1 3.89Å; V1414-L1418 WeakPolarHBondContact O-CB 2.92Å; V1414-L1418 WeakPolarHBondContact O-CD1 3.43Å; V1414-L1418 WeakPolarHBondContact O-CG 3.24Å; V1414-L1418 PolarHBondContact O-N 3.09Å; V1414-L1418 VanDerWaalsContact O-N 3.1Å; V1414-I1449 HydrophobicContact CG1-CD1 3.34Å; V1414-I1449 HydrophobicContact CG1-CG1 3.94Å; V1414-I1449 HydrophobicContact CG2-CG1 4.36Å
1415L89.9Confident86Confident21 Ų2138.8 Ų38.811%0.1122%0.217CC..Hα-helixtrans-66.7-34.9177.5-63.8-178.8000112.1Y1260 E1263 L1298 L1411 L1418 T1419Y1260-L1415 HydrophobicContact CD1-CD2 3.99Å; Y1260-L1415 HydrophobicContact CE1-CD2 4.26Å; E1263-L1415 VanDerWaalsContact OE2-CD2 3.24Å; E1263-L1415 WeakPolarHBondContact OE2-CD2 3.31Å; L1298-L1415 HydrophobicContact CD1-CD2 4.47Å; L1411-L1415 HydrophobicContact CD1-CD1 4.17Å; L1411-L1415 HydrophobicContact CD1-CD2 4.32Å; L1411-L1415 HydrophobicContact CD1-CG 3.98Å; L1411-L1415 HydrophobicContact CD2-CD1 4.24Å; L1411-L1415 HydrophobicContact CG-CD1 3.9Å; L1411-L1415 HydrophobicContact CG-CG 4.1Å; L1411-L1415 PolarHBondContact O-N 2.91Å; L1415-L1418 HydrophobicContact CD2-CD1 4.44Å; L1415-T1419 VanDerWaalsContact O-CB 3.27Å; L1415-T1419 WeakPolarHBondContact O-CB 3.34Å; L1415-T1419 PolarHBondContact O-N 2.74Å; L1415-T1419 PolarHBondContact O-OG1 2.79Å
1416K86.2Confident85.9Confident85 Ų8541.4 Ų41.437%0.3723%0.232SC..Hα-helixtrans-59-53.3170.9178.9-176.3176.2-174.10111.4P1412 L1413 V1414 L1418 T1419 F1420P1412-K1416 VanDerWaalsContact O-CB 3.25Å; P1412-K1416 WeakPolarHBondContact O-CB 3.48Å; P1412-K1416 PolarHBondContact O-N 3.31Å; L1413-K1416 HydrophobicContact CD1-CD 4.02Å; L1413-K1416 WeakPolarHBondContact O-CB 3.39Å; L1413-K1416 PolarHBondContact O-N 3.28Å; V1414-K1416 VanDerWaalsContact C-N 3.34Å; V1414-K1416 PolarHBondContact O-N 2.9Å; K1416-L1418 VanDerWaalsContact C-N 3.33Å; K1416-L1418 PolarHBondContact O-N 2.84Å; K1416-T1419 PolarHBondContact O-N 2.63Å; K1416-T1419 VanDerWaalsContact O-N 3.14Å; K1416-F1420 HydrophobicContact CD-CE2 4.42Å; K1416-F1420 HydrophobicContact CG-CD2 3.74Å; K1416-F1420 HydrophobicContact CG-CE2 3.85Å; K1416-F1420 WeakPolarHBondContact O-CD2 3.06Å; K1416-F1420 PolarHBondContact O-N 2.83Å
1417D85.3Confident85.8Confident25 Ų2542.9 Ų42.913%0.13424%0.243CC..Hα-helixtrans-58.9-45.6-178.5-72.3-20.1000111.4R1395 L1413 V1414 T1419 F1420 I1421R1395-D1417 IonicContact CZ-OD1 2.79Å; R1395-D1417 IonicContact CZ-OD2 3.56Å; R1395-D1417 VanDerWaalsContact CZ-OD2 3.24Å; R1395-D1417 IonicContact NH1-OD1 2.7Å; R1395-D1417 IonicContact NH1-OD2 2.7Å; R1395-D1417 PolarHBondContact NH1-OD2 3.08Å; R1395-D1417 IonicContact NH2-OD1 3.62Å; R1395-D1417 PolarHBondContact NH2-OD1 2.96Å; R1395-D1417 IonicContact NH2-OD2 2.63Å; R1395-D1417 PolarHBondContact NH2-OD2 2.96Å; L1413-D1417 PolarHBondContact O-N 3.2Å; V1414-D1417 PolarHBondContact O-N 3.16Å; D1417-T1419 PolarHBondContact O-N 2.99Å; D1417-F1420 PolarHBondContact O-N 3.01Å; D1417-I1421 WeakPolarHBondContact O-CG1 3.21Å; D1417-I1421 PolarHBondContact O-N 2.94Å
1418L89.7Confident85.5Confident0 Ų045.6 Ų45.60%026%0.262CS..Hα-helixtrans-60.7-40.9175.4-73.1167000112.6Y1260 I1264 V1414 L1415 K1416 I1421 H1422 L1442 E1445 V1446 I1449Y1260-L1418 HydrophobicContact CD1-CD1 4.09Å; I1264-L1418 HydrophobicContact CD1-CB 3.65Å; I1264-L1418 HydrophobicContact CD1-CD1 4.14Å; I1264-L1418 HydrophobicContact CD1-CD2 4.02Å; I1264-L1418 HydrophobicContact CD1-CG 4.14Å; I1264-L1418 HydrophobicContact CG1-CB 4.14Å; V1414-L1418 HydrophobicContact CG1-CD1 3.89Å; V1414-L1418 WeakPolarHBondContact O-CB 2.92Å; V1414-L1418 WeakPolarHBondContact O-CD1 3.43Å; V1414-L1418 WeakPolarHBondContact O-CG 3.24Å; V1414-L1418 PolarHBondContact O-N 3.09Å; V1414-L1418 VanDerWaalsContact O-N 3.1Å; L1415-L1418 HydrophobicContact CD2-CD1 4.44Å; K1416-L1418 VanDerWaalsContact C-N 3.33Å; K1416-L1418 PolarHBondContact O-N 2.84Å; L1418-I1421 PolarHBondContact O-N 3.12Å; L1418-H1422 PolarHBondContact O-N 2.99Å; L1418-L1442 HydrophobicContact CD2-CD2 3.94Å; L1418-E1445 HydrophobicContact CD2-CB 4.03Å; L1418-E1445 HydrophobicContact CD2-CG 4.36Å; L1418-V1446 HydrophobicContact CD2-CG2 4.07Å; L1418-I1449 HydrophobicContact CD1-CD1 4.07Å
1419T83.2Confident85Confident59 Ų5946.7 Ų46.736%0.36227%0.269SS..Hα-helixtrans-67-41.2175.9-59.80000112L1415 K1416 D1417 H1422 L1423L1415-T1419 VanDerWaalsContact O-CB 3.27Å; L1415-T1419 WeakPolarHBondContact O-CB 3.34Å; L1415-T1419 PolarHBondContact O-N 2.74Å; L1415-T1419 PolarHBondContact O-OG1 2.79Å; K1416-T1419 PolarHBondContact O-N 2.63Å; K1416-T1419 VanDerWaalsContact O-N 3.14Å; D1417-T1419 PolarHBondContact O-N 2.99Å; T1419-H1422 PolarHBondContact O-N 2.77Å; T1419-H1422 VanDerWaalsContact O-N 3.15Å; T1419-L1423 HydrophobicContact CG2-CD1 3.81Å; T1419-L1423 HydrophobicContact CG2-CG 4.26Å; T1419-L1423 WeakPolarHBondContact O-CG 3.43Å; T1419-L1423 PolarHBondContact O-N 2.71Å
1420F79.8Confident84.2Confident141 Ų14153.1 Ų53.162%0.61831%0.31SS*.Hα-helixtrans-64.7-40.9175.6-93.6-90.3000111.9K1416 D1417 H1422 G1424K1416-F1420 HydrophobicContact CD-CE2 4.42Å; K1416-F1420 HydrophobicContact CG-CD2 3.74Å; K1416-F1420 HydrophobicContact CG-CE2 3.85Å; K1416-F1420 WeakPolarHBondContact O-CD2 3.06Å; K1416-F1420 PolarHBondContact O-N 2.83Å; D1417-F1420 PolarHBondContact O-N 3.01Å; F1420-H1422 VanDerWaalsContact C-N 3.29Å; F1420-H1422 PolarHBondContact O-N 2.86Å; F1420-G1424 PolarHBondContact O-N 3.05Å
1421I80.2Confident83.5Confident28 Ų2857.4 Ų57.414%0.14434%0.336CS..Hα-helixtrans-61.2-40171.6-65164.7000110.4D1417 L1418 N1425 M1441 L1442D1417-I1421 WeakPolarHBondContact O-CG1 3.21Å; D1417-I1421 PolarHBondContact O-N 2.94Å; L1418-I1421 PolarHBondContact O-N 3.12Å; I1421-N1425 WeakPolarHBondContact O-CB 3.44Å; I1421-N1425 PolarHBondContact O-ND2 3.28Å; I1421-M1441 HydrophobicContact CG1-CE 4.33Å; I1421-M1441 HydrophobicContact CG2-CB 3.67Å; I1421-M1441 HydrophobicContact CG2-CE 4.27Å; I1421-L1442 HydrophobicContact CB-CD2 3.82Å; I1421-L1442 HydrophobicContact CG2-CD2 3.55Å; I1421-L1442 HydrophobicContact CG2-CG 3.68Å
1422H86.6Confident83.1Confident39 Ų3960 Ų6018%0.18136%0.363CS..Hα-helixtrans-67-49.6178.1-177.1101.6000113I1264 F1265 L1418 T1419 F1420 N1425 K1438I1264-H1422 HydrophobicContact CG2-CB 3.44Å; I1264-H1422 VanDerWaalsContact CG2-CB 3.44Å; I1264-H1422 WeakPolarHBondContact CG2-ND1 3.37Å; F1265-H1422 AromaticContact CD1-CE1 3.49Å; F1265-H1422 VanDerWaalsContact CD1-CE1 3.49Å; F1265-H1422 WeakPolarHBondContact CD1-CE1 3.4Å; F1265-H1422 AromaticContact CD1-ND1 3.94Å; F1265-H1422 AromaticContact CD2-CE1 3.96Å; F1265-H1422 AromaticContact CD2-ND1 3.63Å; F1265-H1422 AromaticContact CE1-CE1 3.49Å; F1265-H1422 VanDerWaalsContact CE1-CE1 3.49Å; F1265-H1422 WeakPolarHBondContact CE1-CE1 3.35Å; F1265-H1422 AromaticContact CE1-ND1 3.71Å; F1265-H1422 AromaticContact CE2-CE1 3.96Å; F1265-H1422 AromaticContact CE2-ND1 3.38Å; F1265-H1422 WeakPolarHBondContact CE2-ND1 3.09Å; F1265-H1422 AromaticContact CG-CE1 3.73Å; F1265-H1422 AromaticContact CG-ND1 3.9Å; F1265-H1422 AromaticContact CZ-CE1 3.73Å; F1265-H1422 AromaticContact CZ-ND1 3.43Å; F1265-H1422 WeakPolarHBondContact CZ-ND1 3.43Å; L1418-H1422 PolarHBondContact O-N 2.99Å; T1419-H1422 PolarHBondContact O-N 2.77Å; T1419-H1422 VanDerWaalsContact O-N 3.15Å; F1420-H1422 VanDerWaalsContact C-N 3.29Å; F1420-H1422 PolarHBondContact O-N 2.86Å; H1422-N1425 VanDerWaalsContact O-O 3.05Å; H1422-K1438 VanDerWaalsContact O-CE 3.23Å; H1422-K1438 WeakPolarHBondContact O-CE 3.48Å; H1422-K1438 PolarHBondContact O-NZ 2.86Å
1423L78.3Confident83Confident136 Ų13658 Ų5871%0.71235%0.35SS*.Hα-helixtrans-75.3-40.2-174.5-67.2174.9000112.3T1419 N1425T1419-L1423 HydrophobicContact CG2-CD1 3.81Å; T1419-L1423 HydrophobicContact CG2-CG 4.26Å; T1419-L1423 WeakPolarHBondContact O-CG 3.43Å; T1419-L1423 PolarHBondContact O-N 2.71Å; L1423-N1425 PolarHBondContact O-N 3.13Å
1424G73.2Confident83.3Confident63 Ų6358.1 Ų58.165%0.64935%0.351SS*.THydrogen-bonded Turntrans-73.2-3.7-179.300000115.2F1420F1420-G1424 PolarHBondContact O-N 3.05Å
1425N77.6Confident83.3Confident37 Ų3758 Ų5820%0.19835%0.35CS..SBendtrans-129.5125.7179.8-67.9-91.7000110.9I1421 H1422 L1423 K1438I1421-N1425 WeakPolarHBondContact O-CB 3.44Å; I1421-N1425 PolarHBondContact O-ND2 3.28Å; H1422-N1425 VanDerWaalsContact O-O 3.05Å; L1423-N1425 PolarHBondContact O-N 3.13Å; N1425-K1438 HydrophobicContact CB-CB 3.9Å; N1425-K1438 HydrophobicContact CB-CD 3.85Å; N1425-K1438 HydrophobicContact CB-CG 3.75Å; N1425-K1438 WeakPolarHBondContact O-CD 3.4Å; N1425-K1438 VanDerWaalsContact O-CE 3.26Å; N1425-K1438 WeakPolarHBondContact O-CE 3.5Å; N1425-K1438 PolarHBondContact O-NZ 2.78Å
1426P79.3Confident83.4Confident83 Ų8357 Ų5754%0.53935%0.345SS..  trans-69.2136.8175.529.9-35.1000110.6C1428 N1435P1426-C1428 VanDerWaalsContact C-N 3.32Å; P1426-C1428 PolarHBondContact O-N 2.82Å; P1426-N1435 VanDerWaalsContact O-CB 3.23Å; P1426-N1435 WeakPolarHBondContact O-CB 3.47Å; P1426-N1435 PolarHBondContact O-ND2 2.83Å
1427S83.2Confident83.4Confident50 Ų5055.7 Ų55.735%0.3534%0.343SS..SBendtrans-69.2-29.3-178.1-55.90000113.2N1435 K1438S1427-N1435 WeakPolarHBondContact O-CB 3.27Å; S1427-N1435 PolarHBondContact O-N 2.86Å; S1427-K1438 PolarHBondContact OG-NZ 2.85Å
1428C85.4Confident83.6Confident70 Ų7054.6 Ų54.647%0.47334%0.337SS..BIsolated β-bridgetrans-124.5146.9170.8-650000109.9P1426 L1433P1426-C1428 VanDerWaalsContact C-N 3.32Å; P1426-C1428 PolarHBondContact O-N 2.82Å; C1428-L1433 CarbonylContact C-O 3.28Å; C1428-L1433 WeakPolarHBondContact CA-O 3.24Å
1429T81.1Confident83.7Confident25 Ų2554.9 Ų54.915%0.15334%0.339CS..  trans-76.3164.8172.774.10000111.1K497 D1431 G1432 L1433K497-T1429 HydrophobicContact CB-CG2 4.13Å; K497-T1429 HydrophobicContact CD-CG2 3.73Å; T1429-D1431 PolarHBondContact O-N 2.87Å; T1429-D1431 PolarHBondContact OG1-OD2 3.19Å; T1429-G1432 PolarHBondContact O-N 2.89Å; T1429-L1433 PolarHBondContact N-O 2.67Å
1430P74.5Confident84.1Confident137 Ų13754.1 Ų54.189%0.8933%0.329SS*.THydrogen-bonded Turntrans-55.7-23.4176.7-27.937000114.7G1432P1430-G1432 VanDerWaalsContact C-N 3.26Å; P1430-G1432 PolarHBondContact O-N 3.01Å
1431D79.1Confident84.4Confident127 Ų12750.9 Ų50.968%0.67932%0.317SS*.THydrogen-bonded Turntrans-77.9-5175.8-44.3-75.3000114T1429 L1433T1429-D1431 PolarHBondContact O-N 2.87Å; T1429-D1431 PolarHBondContact OG1-OD2 3.19Å; D1431-L1433 HydrophobicContact CB-CG 4.28Å
1432G83.1Confident85Confident57 Ų5749.6 Ų49.659%0.58831%0.31SS*.SBendtrans80.820.1-174.900000114.7T1429 P1430T1429-G1432 PolarHBondContact O-N 2.89Å; P1430-G1432 VanDerWaalsContact C-N 3.26Å; P1430-G1432 PolarHBondContact O-N 3.01Å
1433L89.7Confident85.3Confident8 Ų847.7 Ų47.74%0.04230%0.302CS..  trans-92.9142.4175.8-57.8177.9000110.7V460 K497 T499 C1428 T1429 D1431 N1435V460-L1433 HydrophobicContact CG1-CD1 4.09Å; K497-L1433 HydrophobicContact CB-CB 4.22Å; K497-L1433 HydrophobicContact CD-CD1 4.36Å; K497-L1433 HydrophobicContact CG-CD1 4.2Å; T499-L1433 HydrophobicContact CG2-CD2 3.6Å; C1428-L1433 CarbonylContact C-O 3.28Å; C1428-L1433 WeakPolarHBondContact CA-O 3.24Å; T1429-L1433 PolarHBondContact N-O 2.67Å; D1431-L1433 HydrophobicContact CB-CG 4.28Å; L1433-N1435 PolarHBondContact O-N 2.99Å
1434V92.8Very high85.9Confident10 Ų1048.1 Ų48.16%0.06130%0.298CS..EExtended strand (participates in β ladder)trans-64.7130174.4179.30000109.4K497 G498 P500 L503 F529 F1436 L1439K497-V1434 VanDerWaalsContact CA-O 3.24Å; K497-V1434 WeakPolarHBondContact CA-O 3.2Å; G498-V1434 PolarHBondContact N-O 2.89Å; G498-V1434 VanDerWaalsContact N-O 3.15Å; G498-V1434 WeakPolarHBondContact O-CB 3.45Å; G498-V1434 PolarHBondContact O-N 3.38Å; P500-V1434 HydrophobicContact CG-CG2 4.09Å; L503-V1434 HydrophobicContact CD1-CB 3.96Å; L503-V1434 HydrophobicContact CD1-CG1 4.2Å; L503-V1434 HydrophobicContact CD1-CG2 4.46Å; F529-V1434 HydrophobicContact CB-CG1 4.33Å; F529-V1434 HydrophobicContact CB-CG2 4.03Å; F529-V1434 HydrophobicContact CD1-CG1 3.77Å; F529-V1434 HydrophobicContact CD2-CG2 4.1Å; F529-V1434 HydrophobicContact CE1-CG1 4.18Å; F529-V1434 HydrophobicContact CG-CG1 3.99Å; F529-V1434 HydrophobicContact CG-CG2 4.02Å; V1434-F1436 PolarHBondContact O-N 3.05Å; V1434-L1439 HydrophobicContact CG1-CD1 3.92Å
1435N90.5Very high86.7Confident18 Ų1847.8 Ų47.810%0.09628%0.279CS..EExtended strand (participates in β ladder)trans-80.492.9178.2-179.7-2.6000110.6P1426 S1427 L1433 V1437 K1438 L1439P1426-N1435 VanDerWaalsContact O-CB 3.23Å; P1426-N1435 WeakPolarHBondContact O-CB 3.47Å; P1426-N1435 PolarHBondContact O-ND2 2.83Å; S1427-N1435 WeakPolarHBondContact O-CB 3.27Å; S1427-N1435 PolarHBondContact O-N 2.86Å; L1433-N1435 PolarHBondContact O-N 2.99Å; N1435-V1437 VanDerWaalsContact C-N 3.29Å; N1435-V1437 PolarHBondContact O-N 3.06Å; N1435-V1437 WeakPolarHBondContact OD1-CB 3.22Å; N1435-V1437 PolarHBondContact OD1-N 2.97Å; N1435-V1437 VanDerWaalsContact OD1-N 3.16Å; N1435-K1438 HydrophobicContact CB-CB 4.31Å; N1435-K1438 PolarHBondContact O-N 3.13Å; N1435-K1438 PolarHBondContact OD1-N 3.19Å; N1435-K1438 VanDerWaalsContact OD1-N 3.14Å; N1435-L1439 PolarHBondContact O-N 3.03Å
1436F91.7Very high87.5Confident0 Ų046 Ų460%027%0.27CS..Hα-helixtrans-74.9-16.9-179.9-154.2-89.8000113.1V495 T496 L503 Y518 D521 F522 V1434 L1439 R1440V495-F1436 HydrophobicContact CG1-CB 4.12Å; V495-F1436 HydrophobicContact CG1-CD1 4.47Å; V495-F1436 HydrophobicContact CG1-CG 4.27Å; T496-F1436 CarbonylContact O-C 3.51Å; T496-F1436 WeakPolarHBondContact O-CA 3.3Å; T496-F1436 WeakPolarHBondContact O-CB 3.41Å; T496-F1436 PolarHBondContact O-N 3.45Å; L503-F1436 HydrophobicContact CD1-CD2 4.25Å; L503-F1436 HydrophobicContact CD2-CD2 3.93Å; L503-F1436 HydrophobicContact CD2-CG 4.36Å; Y518-F1436 HydrophobicContact CD2-CD1 4.13Å; Y518-F1436 AromaticContact CD2-CE1 3.4Å; Y518-F1436 HydrophobicContact CD2-CE1 3.4Å; Y518-F1436 HydrophobicContact CD2-CE2 4.45Å; Y518-F1436 AromaticContact CD2-CZ 3.59Å; Y518-F1436 HydrophobicContact CD2-CZ 3.59Å; Y518-F1436 AromaticContact CE2-CD1 3.91Å; Y518-F1436 HydrophobicContact CE2-CD1 3.91Å; Y518-F1436 HydrophobicContact CE2-CD2 4.21Å; Y518-F1436 AromaticContact CE2-CE1 3.43Å; Y518-F1436 HydrophobicContact CE2-CE1 3.43Å; Y518-F1436 VanDerWaalsContact CE2-CE1 3.43Å; Y518-F1436 AromaticContact CE2-CE2 3.76Å; Y518-F1436 HydrophobicContact CE2-CE2 3.76Å; Y518-F1436 HydrophobicContact CE2-CG 4.28Å; Y518-F1436 AromaticContact CE2-CZ 3.33Å; Y518-F1436 HydrophobicContact CE2-CZ 3.33Å; D521-F1436 HydrophobicContact CB-CE1 4.21Å; D521-F1436 HydrophobicContact CB-CZ 4.08Å; F522-F1436 HydrophobicContact CB-CE2 4.23Å; F522-F1436 HydrophobicContact CB-CZ 4.12Å; F522-F1436 HydrophobicContact CD2-CE2 4.12Å; V1434-F1436 PolarHBondContact O-N 3.05Å; F1436-L1439 HydrophobicContact CD2-CD1 4.2Å; F1436-L1439 PolarHBondContact O-N 3.47Å; F1436-R1440 WeakPolarHBondContact O-CB 3.25Å; F1436-R1440 PolarHBondContact O-N 3.47Å
1437V87.4Confident88Confident56 Ų5643.9 Ų43.934%0.33925%0.251SS..Hα-helixtrans-63.5-49.2170.8-173.50000110.2T496 N1435 L1439 R1440 M1441T496-V1437 HydrophobicContact CG2-CG2 4.04Å; T496-V1437 PolarHBondContact O-N 3.13Å; T496-V1437 VanDerWaalsContact O-N 3.12Å; N1435-V1437 VanDerWaalsContact C-N 3.29Å; N1435-V1437 PolarHBondContact O-N 3.06Å; N1435-V1437 WeakPolarHBondContact OD1-CB 3.22Å; N1435-V1437 PolarHBondContact OD1-N 2.97Å; N1435-V1437 VanDerWaalsContact OD1-N 3.16Å; V1437-L1439 VanDerWaalsContact C-N 3.3Å; V1437-L1439 PolarHBondContact O-N 3.33Å; V1437-R1440 PolarHBondContact O-N 2.97Å; V1437-M1441 HydrophobicContact CG1-SD 4.24Å; V1437-M1441 WeakPolarHBondContact O-CG 3.38Å; V1437-M1441 PolarHBondContact O-N 2.77Å
1438K89.4Confident88.2Confident3 Ų343.9 Ų43.91%0.01325%0.251CS..Hα-helixtrans-52.4-48.4173.5179.3-179.2-172.1167.30111.7H1422 N1425 S1427 N1435 M1441 L1442H1422-K1438 VanDerWaalsContact O-CE 3.23Å; H1422-K1438 WeakPolarHBondContact O-CE 3.48Å; H1422-K1438 PolarHBondContact O-NZ 2.86Å; N1425-K1438 HydrophobicContact CB-CB 3.9Å; N1425-K1438 HydrophobicContact CB-CD 3.85Å; N1425-K1438 HydrophobicContact CB-CG 3.75Å; N1425-K1438 WeakPolarHBondContact O-CD 3.4Å; N1425-K1438 VanDerWaalsContact O-CE 3.26Å; N1425-K1438 WeakPolarHBondContact O-CE 3.5Å; N1425-K1438 PolarHBondContact O-NZ 2.78Å; S1427-K1438 PolarHBondContact OG-NZ 2.85Å; N1435-K1438 HydrophobicContact CB-CB 4.31Å; N1435-K1438 PolarHBondContact O-N 3.13Å; N1435-K1438 PolarHBondContact OD1-N 3.19Å; N1435-K1438 VanDerWaalsContact OD1-N 3.14Å; K1438-M1441 PolarHBondContact O-N 2.76Å; K1438-L1442 HydrophobicContact CG-CD1 4.45Å; K1438-L1442 PolarHBondContact O-N 2.56Å; K1438-L1442 VanDerWaalsContact O-N 3.11Å
1439L92.8Very high88.5Confident5 Ų540.6 Ų40.63%0.02623%0.229CC..Hα-helixtrans-66.2-39.5-177.9-58.9-174.8000112.1T525 F529 F1265 V1434 N1435 F1436 V1437 L1442 A1443T525-L1439 HydrophobicContact CG2-CB 4.08Å; T525-L1439 HydrophobicContact CG2-CD2 4.48Å; F529-L1439 HydrophobicContact CD1-CD1 3.72Å; F529-L1439 HydrophobicContact CE1-CD1 3.53Å; F1265-L1439 HydrophobicContact CZ-CD2 4.29Å; V1434-L1439 HydrophobicContact CG1-CD1 3.92Å; N1435-L1439 PolarHBondContact O-N 3.03Å; F1436-L1439 HydrophobicContact CD2-CD1 4.2Å; F1436-L1439 PolarHBondContact O-N 3.47Å; V1437-L1439 VanDerWaalsContact C-N 3.3Å; V1437-L1439 PolarHBondContact O-N 3.33Å; L1439-L1442 PolarHBondContact O-N 3.45Å; L1439-A1443 VanDerWaalsContact O-CB 3.28Å; L1439-A1443 WeakPolarHBondContact O-CB 3.49Å; L1439-A1443 PolarHBondContact O-N 3.06Å
1440R89.9Confident88.8Confident44 Ų4440.9 Ų40.917%0.16623%0.231CC..Hα-helixtrans-66.1-36.4173.2-173.6178.4-71100.7-2.1112.5L494 V495 D515 D521 F1436 V1437 A1443 K1444L494-R1440 VanDerWaalsContact CD2-CZ 3.49Å; V495-R1440 PolarHBondContact O-NH1 3.42Å; D515-R1440 IonicContact OD2-CZ 2.78Å; D515-R1440 VanDerWaalsContact OD2-CZ 3.26Å; D515-R1440 IonicContact OD2-NE 2.81Å; D515-R1440 PolarHBondContact OD2-NE 3.35Å; D515-R1440 IonicContact OD2-NH2 3.96Å; D515-R1440 PolarHBondContact OD2-NH2 3.44Å; D521-R1440 IonicContact OD2-NE 3.22Å; F1436-R1440 WeakPolarHBondContact O-CB 3.25Å; F1436-R1440 PolarHBondContact O-N 3.47Å; V1437-R1440 PolarHBondContact O-N 2.97Å; R1440-A1443 PolarHBondContact O-N 3.41Å; R1440-K1444 VanDerWaalsContact O-CB 3.27Å; R1440-K1444 WeakPolarHBondContact O-CB 3.28Å; R1440-K1444 PolarHBondContact O-N 2.84Å
1441M87.7Confident89.3Confident73 Ų7342.2 Ų42.236%0.3622%0.218SC..Hα-helixtrans-61.8-48175.1-70.9172.367.800111.3I1421 V1437 K1438 K1444 E1445I1421-M1441 HydrophobicContact CG1-CE 4.33Å; I1421-M1441 HydrophobicContact CG2-CB 3.67Å; I1421-M1441 HydrophobicContact CG2-CE 4.27Å; V1437-M1441 HydrophobicContact CG1-SD 4.24Å; V1437-M1441 WeakPolarHBondContact O-CG 3.38Å; V1437-M1441 PolarHBondContact O-N 2.77Å; K1438-M1441 PolarHBondContact O-N 2.76Å; M1441-K1444 PolarHBondContact O-N 3.1Å; M1441-E1445 PolarHBondContact O-N 3.44Å
1442L92.4Very high89.7Confident0 Ų037.2 Ų37.20%019%0.192CC..Hα-helixtrans-62.4-47.1175-67171.1000112.1I1261 I1264 F1265 L1418 I1421 K1438 L1439 K1444 E1445 V1446I1261-L1442 HydrophobicContact CD1-CB 4.41Å; I1264-L1442 HydrophobicContact CD1-CD2 4.36Å; F1265-L1442 HydrophobicContact CE2-CD1 3.63Å; F1265-L1442 HydrophobicContact CZ-CD1 3.99Å; L1418-L1442 HydrophobicContact CD2-CD2 3.94Å; I1421-L1442 HydrophobicContact CB-CD2 3.82Å; I1421-L1442 HydrophobicContact CG2-CD2 3.55Å; I1421-L1442 HydrophobicContact CG2-CG 3.68Å; K1438-L1442 HydrophobicContact CG-CD1 4.45Å; K1438-L1442 PolarHBondContact O-N 2.56Å; K1438-L1442 VanDerWaalsContact O-N 3.11Å; L1439-L1442 PolarHBondContact O-N 3.45Å; L1442-K1444 VanDerWaalsContact C-N 3.29Å; L1442-K1444 PolarHBondContact O-N 2.88Å; L1442-E1445 PolarHBondContact O-N 2.93Å; L1442-E1445 VanDerWaalsContact O-N 3.13Å; L1442-V1446 WeakPolarHBondContact O-CG2 3.43Å; L1442-V1446 PolarHBondContact O-N 2.68Å
1443A93.4Very high89.7Confident0 Ų035.4 Ų35.40%017%0.17CC..Hα-helixtrans-65.8-30.2-179.600000113.1D521 L524 T525 L1439 R1440 R1447D521-A1443 HydrophobicContact CB-CB 3.96Å; D521-A1443 VanDerWaalsContact OD1-CB 3.25Å; D521-A1443 WeakPolarHBondContact OD1-CB 3.47Å; L524-A1443 HydrophobicContact CD2-CB 3.9Å; T525-A1443 HydrophobicContact CG2-CB 4.29Å; L1439-A1443 VanDerWaalsContact O-CB 3.28Å; L1439-A1443 WeakPolarHBondContact O-CB 3.49Å; L1439-A1443 PolarHBondContact O-N 3.06Å; R1440-A1443 PolarHBondContact O-N 3.41Å; A1443-R1447 WeakPolarHBondContact O-CB 3.39Å; A1443-R1447 PolarHBondContact O-N 2.95Å; A1443-R1447 VanDerWaalsContact O-N 3.1Å; A1443-R1447 PolarHBondContact O-NH1 3.3Å
1444K90.2Very high89.2Confident145 Ų14538.8 Ų38.863%0.6319%0.188SC*.Hα-helixtrans-62.7-46.2170.6-176.9-168172.2-159.90110.8R1440 M1441 L1442 R1447 S1448R1440-K1444 VanDerWaalsContact O-CB 3.27Å; R1440-K1444 WeakPolarHBondContact O-CB 3.28Å; R1440-K1444 PolarHBondContact O-N 2.84Å; M1441-K1444 PolarHBondContact O-N 3.1Å; L1442-K1444 VanDerWaalsContact C-N 3.29Å; L1442-K1444 PolarHBondContact O-N 2.88Å; K1444-R1447 PolarHBondContact O-N 3.46Å; K1444-S1448 PolarHBondContact O-N 3.07Å
1445E90.6Very high88.6Confident55 Ų5541.4 Ų41.426%0.25720%0.203SC..Hα-helixtrans-74.1-45.1-175.9-155.353.7-122.500112.3L1418 M1441 L1442 R1447 S1448 I1449L1418-E1445 HydrophobicContact CD2-CB 4.03Å; L1418-E1445 HydrophobicContact CD2-CG 4.36Å; M1441-E1445 PolarHBondContact O-N 3.44Å; L1442-E1445 PolarHBondContact O-N 2.93Å; L1442-E1445 VanDerWaalsContact O-N 3.13Å; E1445-R1447 PolarHBondContact O-N 2.86Å; E1445-S1448 WeakPolarHBondContact O-CA 3.32Å; E1445-S1448 WeakPolarHBondContact O-CB 3.21Å; E1445-S1448 PolarHBondContact O-N 2.99Å; E1445-S1448 WeakPolarHBondContact OE1-CB 3.43Å; E1445-I1449 HydrophobicContact CG-CD1 4.42Å; E1445-I1449 WeakPolarHBondContact O-CD1 3.35Å; E1445-I1449 WeakPolarHBondContact O-CG1 3.25Å; E1445-I1449 PolarHBondContact O-N 2.95Å
1446V93.9Very high88.1Confident1 Ų145.7 Ų45.71%0.00623%0.226CC..Hα-helixtrans-55.2-40.1171.4174.70000111.3L524 Y1260 I1261 L1418 L1442 S1448 I1449 C1450L524-V1446 HydrophobicContact CD2-CB 4.02Å; L524-V1446 HydrophobicContact CD2-CG1 3.87Å; Y1260-V1446 HydrophobicContact CD2-CG1 4.3Å; I1261-V1446 HydrophobicContact CD1-CG2 4.19Å; L1418-V1446 HydrophobicContact CD2-CG2 4.07Å; L1442-V1446 WeakPolarHBondContact O-CG2 3.43Å; L1442-V1446 PolarHBondContact O-N 2.68Å; V1446-S1448 VanDerWaalsContact C-N 3.34Å; V1446-I1449 PolarHBondContact O-N 3.05Å; V1446-C1450 VanDerWaalsContact O-CB 3.31Å; V1446-C1450 WeakPolarHBondContact O-CB 3.33Å; V1446-C1450 PolarHBondContact O-N 3.13Å; V1446-C1450 PolarHBondContact O-SG 3.02Å
1447R89.9Confident87.6Confident37 Ų3747 Ų4714%0.1423%0.232CC..Hα-helixtrans-68.6-29.3174.4-176.1-171.4-71.7108.6-18.3113.2E520 D521 A1443 K1444 E1445 R1451E520-R1447 IonicContact OE2-CZ 3Å; E520-R1447 IonicContact OE2-NE 2.59Å; E520-R1447 PolarHBondContact OE2-NE 3.24Å; E520-R1447 IonicContact OE2-NH2 2.72Å; E520-R1447 PolarHBondContact OE2-NH2 2.85Å; D521-R1447 IonicContact OD1-CZ 2.92Å; D521-R1447 IonicContact OD1-NH1 2.76Å; D521-R1447 PolarHBondContact OD1-NH1 3.21Å; D521-R1447 IonicContact OD1-NH2 3.1Å; D521-R1447 PolarHBondContact OD1-NH2 3.32Å; A1443-R1447 WeakPolarHBondContact O-CB 3.39Å; A1443-R1447 PolarHBondContact O-N 2.95Å; A1443-R1447 VanDerWaalsContact O-N 3.1Å; A1443-R1447 PolarHBondContact O-NH1 3.3Å; K1444-R1447 PolarHBondContact O-N 3.46Å; E1445-R1447 PolarHBondContact O-N 2.86Å; R1447-R1451 WeakPolarHBondContact O-CD 3.35Å; R1447-R1451 VanDerWaalsContact O-CG 3.3Å; R1447-R1451 WeakPolarHBondContact O-CG 3.24Å; R1447-R1451 PolarHBondContact O-N 2.95Å
1448S87.6Confident86.9Confident50 Ų5047.9 Ų47.935%0.3523%0.234SC..Hα-helixtrans-64.5-54.1172.5-1610000110.2K1444 E1445 V1446 C1450 R1451K1444-S1448 PolarHBondContact O-N 3.07Å; E1445-S1448 WeakPolarHBondContact O-CA 3.32Å; E1445-S1448 WeakPolarHBondContact O-CB 3.21Å; E1445-S1448 PolarHBondContact O-N 2.99Å; E1445-S1448 WeakPolarHBondContact OE1-CB 3.43Å; V1446-S1448 VanDerWaalsContact C-N 3.34Å; S1448-C1450 VanDerWaalsContact C-N 3.34Å; S1448-C1450 PolarHBondContact O-N 2.71Å; S1448-R1451 WeakPolarHBondContact O-CB 3.18Å; S1448-R1451 PolarHBondContact O-N 3.24Å
1449I90.6Very high86Confident2 Ų250.4 Ų50.41%0.0125%0.248CC..Hα-helixtrans-57.3-46.4177.8-60150.7000110.6F1252 Y1260 V1414 L1418 E1445 V1446 R1451 M1452F1252-I1449 HydrophobicContact CE2-CG2 3.66Å; F1252-I1449 HydrophobicContact CZ-CG2 3.76Å; Y1260-I1449 HydrophobicContact CE2-CG2 4.33Å; V1414-I1449 HydrophobicContact CG1-CD1 3.34Å; V1414-I1449 HydrophobicContact CG1-CG1 3.94Å; V1414-I1449 HydrophobicContact CG2-CG1 4.36Å; L1418-I1449 HydrophobicContact CD1-CD1 4.07Å; E1445-I1449 HydrophobicContact CG-CD1 4.42Å; E1445-I1449 WeakPolarHBondContact O-CD1 3.35Å; E1445-I1449 WeakPolarHBondContact O-CG1 3.25Å; E1445-I1449 PolarHBondContact O-N 2.95Å; V1446-I1449 PolarHBondContact O-N 3.05Å; I1449-R1451 PolarHBondContact O-N 3.45Å; I1449-R1451 VanDerWaalsContact O-N 3.07Å; I1449-M1452 WeakPolarHBondContact O-CB 3.46Å; I1449-M1452 PolarHBondContact O-N 3.22Å
1450C87.7Confident84.1Confident30 Ų3054.1 Ų54.120%0.20327%0.273CS..Hα-helixtrans-65.2-9.1177.5-67.90000114.6V1446 S1448 N1454V1446-C1450 VanDerWaalsContact O-CB 3.31Å; V1446-C1450 WeakPolarHBondContact O-CB 3.33Å; V1446-C1450 PolarHBondContact O-N 3.13Å; V1446-C1450 PolarHBondContact O-SG 3.02Å; S1448-C1450 VanDerWaalsContact C-N 3.34Å; S1448-C1450 PolarHBondContact O-N 2.71Å; C1450-N1454 VanDerWaalsContact O-CB 3.31Å; C1450-N1454 WeakPolarHBondContact O-CB 3.43Å; C1450-N1454 VanDerWaalsContact O-CG 3.26Å; C1450-N1454 PolarHBondContact O-ND2 3.36Å
1451R85.1Confident82Confident165 Ų16555.8 Ų55.862%0.62329%0.288SS*.Hα-helixtrans-84.5-27.4169.9-71.2161178.8-172.5-1.1111.9A1405 R1447 S1448 I1449 N1454A1405-R1451 WeakPolarHBondContact CB-O 3.45Å; R1447-R1451 WeakPolarHBondContact O-CD 3.35Å; R1447-R1451 VanDerWaalsContact O-CG 3.3Å; R1447-R1451 WeakPolarHBondContact O-CG 3.24Å; R1447-R1451 PolarHBondContact O-N 2.95Å; S1448-R1451 WeakPolarHBondContact O-CB 3.18Å; S1448-R1451 PolarHBondContact O-N 3.24Å; I1449-R1451 PolarHBondContact O-N 3.45Å; I1449-R1451 VanDerWaalsContact O-N 3.07Å; R1451-N1454 PolarHBondContact O-N 2.96Å
1452M86.8Confident80.1Confident23 Ų2353.1 Ų53.111%0.11328%0.276CS..Hα-helixtrans-72.7-35.4-177.8-55.1167104.500112Y1249 F1252 L1398 M1407 P1409 I1449Y1249-M1452 PolarHBondContact OH-O 3.15Å; F1252-M1452 HydrophobicContact CE1-CB 4.09Å; F1252-M1452 HydrophobicContact CZ-CB 4.25Å; L1398-M1452 HydrophobicContact CD1-CE 4.43Å; L1398-M1452 HydrophobicContact CD2-CE 3.88Å; M1407-M1452 HydrophobicContact CE-CE 4.5Å; M1407-M1452 HydrophobicContact CG-CB 4.08Å; M1407-M1452 HydrophobicContact CG-CE 3.82Å; M1407-M1452 HydrophobicContact CG-CG 4.19Å; M1407-M1452 HydrophobicContact SD-CE 3.44Å; M1407-M1452 WeakPolarHBondContact SD-CE 3.23Å; P1409-M1452 HydrophobicContact CB-CE 3.82Å; P1409-M1452 HydrophobicContact CB-SD 4.07Å; P1409-M1452 HydrophobicContact CG-CE 4.17Å; P1409-M1452 HydrophobicContact CG-SD 3.85Å; I1449-M1452 WeakPolarHBondContact O-CB 3.46Å; I1449-M1452 PolarHBondContact O-N 3.22Å
1453C84.2Confident77.6Confident19 Ų1955.5 Ų55.513%0.12830%0.296CS..THydrogen-bonded Turntrans-87.94.2176.1650000115.1Y1249 F1252 R1253 V1455Y1249-C1453 VanDerWaalsContact OH-C 3.26Å; Y1249-C1453 WeakPolarHBondContact OH-CA 3.37Å; F1252-C1453 HydrophobicContact CD1-CB 3.76Å; F1252-C1453 HydrophobicContact CE1-CB 3.59Å; F1252-C1453 HydrophobicContact CZ-CB 4.19Å; R1253-C1453 HydrophobicContact CB-CB 4.36Å; C1453-V1455 PolarHBondContact O-N 3.25Å
1454N78.4Confident74.7Confident79 Ų7963.8 Ų63.842%0.42233%0.328SS..SBendtrans-91.75.8-163.1-129.1-28.2000115.1C1450 R1451 K1496C1450-N1454 VanDerWaalsContact O-CB 3.31Å; C1450-N1454 WeakPolarHBondContact O-CB 3.43Å; C1450-N1454 VanDerWaalsContact O-CG 3.26Å; C1450-N1454 PolarHBondContact O-ND2 3.36Å; R1451-N1454 PolarHBondContact O-N 2.96Å; N1454-K1496 PolarHBondContact OD1-NZ 3.05Å
1455V80.3Confident72.2Confident64 Ų6463.3 Ų63.339%0.38833%0.328SS..SBendtrans-129151.4-174.4-1750000108.4Y1249 A1405 P1406 C1453Y1249-V1455 WeakPolarHBondContact CE1-O 3.34Å; Y1249-V1455 PolarHBondContact OH-O 3.5Å; A1405-V1455 HydrophobicContact CB-CB 4.47Å; A1405-V1455 HydrophobicContact CB-CG2 3.86Å; P1406-V1455 HydrophobicContact CB-CB 4.44Å; C1453-V1455 PolarHBondContact O-N 3.25Å
1456D79.6Confident69.5Low108 Ų10862.6 Ų62.658%0.57834%0.336SS*.  trans-76.6141.2176.1-59.3-64.8000111.6R1253 D1458R1253-D1456 IonicContact CZ-OD1 3.79Å; R1253-D1456 IonicContact NH1-OD1 3.83Å; R1253-D1456 PolarHBondContact NH1-OD1 2.83Å; R1253-D1456 IonicContact NH2-OD1 3.38Å; R1253-D1456 PolarHBondContact NH2-OD1 2.89Å; D1456-D1458 PolarHBondContact O-N 2.89Å
1457Y80.9Confident66.6Low28 Ų2869.8 Ų69.811%0.1136%0.363CS..  trans-83.791.7-173.2-164-76.8000112.4T1245 I1246 Y1249 L1342 P1406 L1459T1245-Y1457 HydrophobicContact CG2-CD2 4.37Å; T1245-Y1457 HydrophobicContact CG2-CE1 3.95Å; T1245-Y1457 HydrophobicContact CG2-CE2 3.67Å; T1245-Y1457 VanDerWaalsContact CG2-CZ 3.46Å; I1246-Y1457 HydrophobicContact CG1-CD1 4.26Å; Y1249-Y1457 HydrophobicContact CD1-CD2 4.33Å; Y1249-Y1457 HydrophobicContact CD1-CG 4.46Å; Y1249-Y1457 HydrophobicContact CD2-CD2 4.01Å; Y1249-Y1457 HydrophobicContact CE2-CD2 4.32Å; Y1249-Y1457 HydrophobicContact CG-CD2 4.01Å; Y1249-Y1457 HydrophobicContact CG-CG 4.45Å; L1342-Y1457 PolarHBondContact O-OH 2.97Å; P1406-Y1457 HydrophobicContact CB-CD2 3.74Å; P1406-Y1457 HydrophobicContact CB-CE2 4.3Å; P1406-Y1457 HydrophobicContact CB-CG 4.5Å; P1406-Y1457 HydrophobicContact CG-CD2 3.89Å; P1406-Y1457 HydrophobicContact CG-CE2 4.24Å; P1406-Y1457 HydrophobicContact CG-CG 4.42Å; Y1457-L1459 HydrophobicContact CD1-CG 4.35Å; Y1457-L1459 HydrophobicContact CE1-CD2 3.8Å; Y1457-L1459 HydrophobicContact CE1-CG 4.04Å
1458D73.7Confident63.9Low74 Ų7473.8 Ų73.840%0.39639%0.391SS..  trans-91.3102.1174.6177.831.7000113.3D1456 C1460 T1461 T1462D1456-D1458 PolarHBondContact O-N 2.89Å; D1458-C1460 PolarHBondContact O-N 3.34Å; D1458-C1460 VanDerWaalsContact O-N 3.15Å; D1458-C1460 WeakPolarHBondContact OD1-CA 3.44Å; D1458-C1460 WeakPolarHBondContact OD1-CB 3.38Å; D1458-C1460 PolarHBondContact OD1-N 3.49Å; D1458-T1461 PolarHBondContact O-N 2.82Å; D1458-T1461 VanDerWaalsContact OD2-CB 3.26Å; D1458-T1461 WeakPolarHBondContact OD2-CB 3.5Å; D1458-T1461 PolarHBondContact OD2-N 3.38Å; D1458-T1461 VanDerWaalsContact OD2-N 3.14Å; D1458-T1461 PolarHBondContact OD2-OG1 2.8Å; D1458-T1462 PolarHBondContact O-N 2.78Å; D1458-T1462 PolarHBondContact O-OG1 3.31Å
1459L70.5Confident61.2Low56 Ų5674.3 Ų74.329%0.29340%0.398SS..Hα-helixtrans-53.1-28.1169.9-77.9170.5000114.1A1242 I1246 L1342 Y1457 T1461A1242-L1459 HydrophobicContact CB-CD1 3.89Å; A1242-L1459 HydrophobicContact CB-CD2 3.69Å; A1242-L1459 HydrophobicContact CB-CG 4.49Å; I1246-L1459 HydrophobicContact CD1-CD1 3.52Å; I1246-L1459 HydrophobicContact CD1-CG 4.14Å; I1246-L1459 HydrophobicContact CG1-CD1 4.37Å; L1342-L1459 HydrophobicContact CD2-CD2 3.88Å; Y1457-L1459 HydrophobicContact CD1-CG 4.35Å; Y1457-L1459 HydrophobicContact CE1-CD2 3.8Å; Y1457-L1459 HydrophobicContact CE1-CG 4.04Å; L1459-T1461 VanDerWaalsContact C-N 3.32Å
1460C52.9Low58Low83 Ų8377.1 Ų77.156%0.56143%0.427SS*.Hα-helixtrans-75.8-21.9-176.5-157.90000112.7D1458D1458-C1460 PolarHBondContact O-N 3.34Å; D1458-C1460 VanDerWaalsContact O-N 3.15Å; D1458-C1460 WeakPolarHBondContact OD1-CA 3.44Å; D1458-C1460 WeakPolarHBondContact OD1-CB 3.38Å; D1458-C1460 PolarHBondContact OD1-N 3.49Å
1461T46.1Very low55.1Low80 Ų8078 Ų7849%0.49144%0.442SS..Hα-helixtrans-98.1-36.9-178.8-64.20000112.7D1458 L1459 Y1464 H1465D1458-T1461 PolarHBondContact O-N 2.82Å; D1458-T1461 VanDerWaalsContact OD2-CB 3.26Å; D1458-T1461 WeakPolarHBondContact OD2-CB 3.5Å; D1458-T1461 PolarHBondContact OD2-N 3.38Å; D1458-T1461 VanDerWaalsContact OD2-N 3.14Å; D1458-T1461 PolarHBondContact OD2-OG1 2.8Å; L1459-T1461 VanDerWaalsContact C-N 3.32Å; T1461-Y1464 PolarHBondContact O-N 2.94Å; T1461-H1465 PolarHBondContact O-ND1 2.85Å
1462T46.9Very low52.3Low17 Ų1776.6 Ų76.610%0.10445%0.452CS..Hα-helixtrans-67.2-45.6-179.751.80000112.5D1458 Y1464 H1465D1458-T1462 PolarHBondContact O-N 2.78Å; D1458-T1462 PolarHBondContact O-OG1 3.31Å; T1462-Y1464 PolarHBondContact O-N 3.24Å; T1462-H1465 PolarHBondContact O-N 2.84Å
1463A40.4Very low49.3Very low50 Ų5079.4 Ų79.441%0.41349%0.486SS..Hα-helixtrans-61.3-16.6-179.900000114.6
1464Y31.9Very low46.4Very low174 Ų17490.2 Ų90.268%0.68252%0.524SS*.Hα-helixtrans-82.3-22.9174.4-100.9-80.7000113.9T1461 T1462 V1468T1461-Y1464 PolarHBondContact O-N 2.94Å; T1462-Y1464 PolarHBondContact O-N 3.24Å; Y1464-V1468 WeakPolarHBondContact O-CG2 3.41Å
1465H37.6Very low43.8Very low135 Ų13591.3 Ų91.363%0.62554%0.544SS*.Hα-helixtrans-78.7-45.5179.2-77.170.6000111.6T1461 T1462 R1467 V1468T1461-H1465 PolarHBondContact O-ND1 2.85Å; T1462-H1465 PolarHBondContact O-N 2.84Å; H1465-R1467 PolarHBondContact O-N 3.47Å; H1465-R1467 VanDerWaalsContact O-N 3.16Å; H1465-V1468 PolarHBondContact O-N 3Å
1466G34.6Very low41Very low40 Ų40100.8 Ų100.841%0.41257%0.573SS.*THydrogen-bonded Turntrans-62.4-23-179.900000115.1
1467R33.4Very low38.4Very low152 Ų152100.4 Ų100.457%0.57459%0.585SS**THydrogen-bonded Turntrans-89.5-4.9-178-72.7-167.8178.4-1633115.7T1087 H1465T1087-R1467 PolarHBondContact OG1-NH1 2.82Å; H1465-R1467 PolarHBondContact O-N 3.47Å; H1465-R1467 VanDerWaalsContact O-N 3.16Å
1468V33.5Very low35.7Very low121 Ų121102.9 Ų102.973%0.73362%0.619SS**THydrogen-bonded Turntrans-91.8-17.4-177.7176.70000112.7Y1464 H1465Y1464-V1468 WeakPolarHBondContact O-CG2 3.41Å; H1465-V1468 PolarHBondContact O-N 3Å
1469A29.5Very low33.5Very low60 Ų60103.9 Ų103.950%0.49664%0.638SS.*THydrogen-bonded Turntrans-76.5-49.3174.900000112.6G1471A1469-G1471 PolarHBondContact O-N 2.85Å
1470G25Very low31.3Very low61 Ų61107.8 Ų107.863%0.62966%0.659SS**SBendtrans-82.374.5-169.600000116.4
1471G25.6Very low30Very low50 Ų50111.5 Ų111.552%0.51567%0.672SS.*  trans125.1110.5151.600000117.7A1469A1469-G1471 PolarHBondContact O-N 2.85Å
1472V26.4Very low28.9Very low135 Ų135112.8 Ų112.882%0.81868%0.684SS**  trans-125.556.1169.6-1680000111.4R1474V1472-R1474 VanDerWaalsContact C-N 3.29Å; V1472-R1474 PolarHBondContact O-N 3.5Å
1473G24.7Very low27.8Very low81 Ų81116.2 Ų116.284%0.83572%0.715SS**  trans-76.868.9170.600000113.1
1474R22.4Very low27.1Very low246 Ų246121 Ų12193%0.92873%0.733SS**  trans3291169.4-74.1-176.9169.2179.4-1.3118V1472V1472-R1474 VanDerWaalsContact C-N 3.29Å; V1472-R1474 PolarHBondContact O-N 3.5Å
1475A24.7Very low26.7Very low103 Ų103122.8 Ų122.885%0.85174%0.744SS**  trans-134.9109.3149.900000110.7
1476R21Very low26Very low263 Ų263120.2 Ų120.299%0.99275%0.746SS**  trans-92.4106.4176.7-92-176.1170.3173-2.4110.9
1477A25.7Very low25.5Very low100 Ų100125 Ų12583%0.82677%0.767SS**  trans-135.6113.3160.700000109.1
1478G22.9Very low25Very low80 Ų80122.2 Ų122.283%0.82578%0.776SS**  trans-90.6122-174.700000112.8
1479A27.3Very low24.5Very low95 Ų95121.2 Ų121.279%0.78577%0.774SS**  trans-137.993.6172.700000111.4L1481A1479-L1481 PolarHBondContact O-N 3.48Å
1480N25.4Very low24.1Very low137 Ų137123.9 Ų123.973%0.73379%0.785SS**  trans13.492.5163.8-63.8-39.5000118.6S1482N1480-S1482 PolarHBondContact O-N 3.32Å
1481L24.3Very low24Very low162 Ų162125.9 Ų125.985%0.84879%0.789SS**  trans-73.377.4161.8-175.166.2000110.4A1479 L1484A1479-L1481 PolarHBondContact O-N 3.48Å; L1481-L1484 HydrophobicContact CD1-CB 4.32Å; L1481-L1484 HydrophobicContact CD1-CD1 4.48Å
1482S23.5Very low23.9Very low106 Ų106128.9 Ų128.974%0.74180%0.802SS**  trans-137.318.2177.354.80000113.9N1480N1480-S1482 PolarHBondContact O-N 3.32Å
1483A24.7Very low23.9Very low90 Ų90130 Ų13074%0.74480%0.802SS**SBendtrans-121.43.2-177.800000114.9
1484L24.3Very low23.9Very low151 Ų151130.9 Ų130.979%0.79179%0.787SS**SBendtrans-11432.3-173.6-108.8169.6000113.8L1481L1481-L1484 HydrophobicContact CD1-CB 4.32Å; L1481-L1484 HydrophobicContact CD1-CD1 4.48Å
1485K23.7Very low24Very low210 Ų210124.1 Ų124.191%0.91378%0.775SS**SBendtrans-129.732.4-179.6-148.7170.8-173174.40113.4
1486A23.2Very low24Very low81 Ų81125 Ų12567%0.66976%0.76SS**SBendtrans-143.513.7-172.400000114.8
1487V23.8Very low24.1Very low142 Ų142116.6 Ų116.686%0.86174%0.741SS**SBendtrans-135.541178.1-158.90000110.7
1488A24Very low24Very low93 Ų93121 Ų12177%0.76974%0.738SS**SBendtrans-135.538-178.100000111
1489S21.8Very low24.1Very low99 Ų99122.9 Ų122.969%0.69272%0.723SS**SBendtrans-149.526.2-167.164.20000114.9
1490V22.5Very low24Very low117 Ų117122.5 Ų122.571%0.70972%0.715SS**SBendtrans-14666.1165.5-167.90000109.7
1491S23.1Very low24Very low102 Ų102123.6 Ų123.671%0.71372%0.721SS**  trans-161.761.6179590000111.8
1492S23.1Very low24Very low113 Ų113122.9 Ų122.979%0.7972%0.717SS**  trans-149.665.7-175.864.30000114.1
1493I25.5Very low24.1Very low160 Ų160123.5 Ų123.582%0.82172%0.716SS**  trans-12283.1154.9-57.4-177.4000107.4
1494N26.1Very low24.1Very low99 Ų99125.4 Ų125.453%0.52972%0.719SS.*  trans-99.8112.3176.7-179.2-14000108.6K1496 S1497N1494-K1496 PolarHBondContact O-N 3.18Å; N1494-K1496 WeakPolarHBondContact OD1-CB 3.42Å; N1494-K1496 PolarHBondContact OD1-N 2.67Å; N1494-S1497 PolarHBondContact O-OG 2.81Å
1495P23.5Very low24.1Very low103 Ų103124.4 Ų124.467%0.66971%0.713SS**THydrogen-bonded Turntrans-7741.9-175.833.3-36.7000113.6
1496K24.3Very low24.1Very low122 Ų122120.8 Ų120.853%0.5370%0.704SS.*THydrogen-bonded Turntrans-124.70.8175.1-68.3174-178.3161.10113.6N1454 N1494N1454-K1496 PolarHBondContact OD1-NZ 3.05Å; N1494-K1496 PolarHBondContact O-N 3.18Å; N1494-K1496 WeakPolarHBondContact OD1-CB 3.42Å; N1494-K1496 PolarHBondContact OD1-N 2.67Å
1497S23.9Very low24.1Very low86 Ų86122.6 Ų122.660%0.60170%0.702SS**  trans-104.133.4-176.358.80000115.3N1494N1494-S1497 PolarHBondContact O-OG 2.81Å
1498Y24.3Very low24.1Very low193 Ų193124.5 Ų124.576%0.75770%0.699SS**  trans-122.832.2176-90.8-76000115.4
1499F24.8Very low24Very low119 Ų119124.3 Ų124.352%0.52269%0.693SS.*SBendtrans-98.6100.3140.3-115.7-69.3000108.6R556R556-F1499 HydrophobicContact CB-CZ 3.89Å; R556-F1499 HydrophobicContact CG-CE1 4.06Å; R556-F1499 HydrophobicContact CG-CE2 3.95Å; R556-F1499 HydrophobicContact CG-CZ 3.42Å; R556-F1499 VanDerWaalsContact CG-CZ 3.42Å
1500S23.3Very low24Very low87 Ų87128.5 Ų128.561%0.60870%0.701SS**  trans-75.8125.8-162.355.20000114.3
1501N26.4Very low24Very low161 Ų161128.9 Ų128.986%0.86170%0.704SS**  trans-76.4128.2155.7-81.7-27.8000110.4
1502L25.1Very low24Very low147 Ų147130.3 Ų130.377%0.7770%0.704SS**  trans-156.1130.7161.3-82-176.7000106
1503T24.8Very low24.2Very low118 Ų118133.4 Ų133.472%0.72471%0.705SS**SBendcis-136.81591.737.20000108
1504T25.3Very low24.1Very low130 Ų130132.2 Ų132.280%0.79870%0.7SS**  cis-147145.946.7-64.10000113.3
1505I23.9Very low24Very low130 Ų130132.2 Ų132.267%0.66770%0.7SS**  trans-106.1162174.5-54.6168.7000108.2
1506N24.4Very low24.1Very low134 Ų134132 Ų13272%0.71769%0.694SS**  trans102.9135.7171-55.3-36.3000114.5
1507N22.6Very low24.1Very low120 Ų120128.8 Ų128.864%0.64268%0.682SS**  cis-163166.8-9.7-114.8-22.6000112.4
1508F23.1Very low24.1Very low181 Ų181128.5 Ų128.579%0.79467%0.674SS**  trans63.6128.1176.8-62.3-79.9000115.2
1509S21.5Very low24.2Very low90 Ų90123.1 Ų123.163%0.62967%0.67SS**  cis86.7119.241.2-67.40000114.7
1510Q22.5Very low24Very low186 Ų186122.4 Ų122.487%0.86968%0.679SS**  trans68.2150.9161.3-52.7172.718.400114.6
1511T23.6Very low24.1Very low125 Ų125124.3 Ų124.377%0.76769%0.687SS**  cis-132.7175.94.653.70000111.8
1512N22Very low24Very low133 Ų133123.6 Ų123.671%0.71168%0.683SS**  trans-56.2147.5151.8-54.9-31.3000110.5
1513H26.9Very low24Very low177 Ų177120.8 Ų120.882%0.81968%0.676SS**  -172.6169.3101.7-105.4-65.8000113.5
1514N23.6Very low24Very low135 Ų135121.1 Ų121.172%0.72267%0.674SS**  trans-93.4150.7-173.7-56.2-14.8000112.2
1515N24.7Very low23.8Very low99 Ų99125.9 Ų125.953%0.52968%0.677SS.*  trans57.2149.5142.6-59.310.8000121.4
1516N24.5Very low23.9Very low100 Ų100124.3 Ų124.354%0.53568%0.678SS.*  trans67.8136.9167-59.52.6000116.2V237 Q238V237-N1516 PolarHBondContact O-OD1 2.77Å; V237-N1516 VanDerWaalsContact O-OD1 3.07Å; Q238-N1516 VanDerWaalsContact NE2-N 3.19Å
1517N24.1Very low23.7Very low54 Ų54127.5 Ų127.529%0.28969%0.688SS.*  cis-157.9153.4-1.3-127.7-34.6000115.8Q238 N239Q238-N1517 VanDerWaalsContact CA-OD1 3.32Å; Q238-N1517 WeakPolarHBondContact CA-OD1 3.26Å; Q238-N1517 WeakPolarHBondContact CB-OD1 3.46Å; Q238-N1517 VanDerWaalsContact OE1-C 3.26Å; N239-N1517 VanDerWaalsContact C-ND2 3.28Å; N239-N1517 WeakPolarHBondContact CA-OD1 3.24Å; N239-N1517 PolarHBondContact N-OD1 2.84Å; N239-N1517 PolarHBondContact O-ND2 2.89Å; N239-N1517 PolarHBondContact O-OD1 2.73Å
1518N25.8Very low23.9Very low79 Ų79129.1 Ų129.142%0.42269%0.692SS.*  trans70.6140.3150.1-71.2-34.9000124.8D240D240-N1518 WeakPolarHBondContact CA-ND2 3.14Å; D240-N1518 VanDerWaalsContact CB-ND2 3.28Å; D240-N1518 WeakPolarHBondContact CB-ND2 3.2Å; D240-N1518 PolarHBondContact N-ND2 2.74Å; D240-N1518 PolarHBondContact N-OD1 2.65Å; D240-N1518 PolarHBondContact O-ND2 2.8Å
1519A25Very low24.1Very low81 Ų81126.6 Ų126.667%0.66969%0.686SS**  trans54.6101.1130.800000123
1520S21.4Very low24.1Very low103 Ų103131.3 Ų131.372%0.7270%0.701SS**  52.2147.912267.10000124.3
1521T24.5Very low24.1Very low127 Ų127127.8 Ų127.878%0.77969%0.692SS**  trans91.2134.7164.469.30000119.1
1522D25.4Very low24.1Very low146 Ų146128.5 Ų128.578%0.78169%0.686SS**  trans62.362.6156.7-60.76.9000119.9
1523S24.2Very low24.1Very low89 Ų89131.3 Ų131.362%0.62269%0.687SS**  22.1137111.675.30000121
1524N24.2Very low23.8Very low124 Ų124130.9 Ų130.966%0.66368%0.683SS**  trans98.5107.1133-70.2-11.7000122
1525W23.1Very low23.7Very low231 Ų231133.1 Ų133.188%0.87569%0.687SS**  84.3140.3124.8-69.924.2000117.9
1526S25.4Very low23.5Very low97 Ų97134.2 Ų134.268%0.67870%0.702SS**  cis-157.6147-6.542.80000111.3
1527E20.6Very low23.3Very low201 Ų201139.5 Ų139.594%0.93972%0.716SS**  trans-114.7140.9168.5-167.8170.2-130.200109.3
1528H26.4Very low23.1Very low153 Ų153142.4 Ų142.471%0.70874%0.74SS**  trans-119.6110.8-155.7-143.3-56.3000113.4
1529N26.4Very low23Very low128 Ų128146 Ų14668%0.68476%0.76SS**  trans61.6119.2160.4-65.4-10.3000120.9
1530M21.7Very low22.9Very low190 Ų190147.7 Ų147.794%0.93677%0.766SS**  trans-116.2126.1137.1-95.9-172.560.700109.9
1531V23.6Very low23Very low111 Ų111150.2 Ų150.267%0.67377%0.771SS**  trans-145.5102.1170.9-177.20000111.5
1532E23Very low23Very low141 Ų141150.9 Ų150.966%0.65977%0.77SS**  trans63.1168.3157.7-55.2-168.9128.900118.3
1533R21.8Very low22.8Very low191 Ų191153.5 Ų153.572%0.72177%0.77SS**  cis-158.7130.618.6-158.2171.1-78.1158.2-1.8115.3
1534K21.3Very low22.7Very low168 Ų168155.1 Ų155.173%0.7378%0.781SS**  trans57.9128.4144.6-71.5-177.3-179.2-173.80124.2
1535F21.4Very low22.6Very low183 Ų183156.6 Ų156.680%0.80378%0.784SS**  trans48.8122.1137.9-69.9-72.7000122.2
1536S19.2Very low22.6Very low121 Ų121152.7 Ų152.785%0.84678%0.776SS**  -174.2161.2105.8-77.10000112.9
1537Y21.4Very low22.4Very low212 Ų212154.3 Ų154.383%0.83177%0.773SS**  trans-76.6150.1177.5-107.2-99.8000113
1538S20.2Very low22.5Very low115 Ų115150 Ų15080%0.80475%0.752SS**  trans-168.5127.3138.646.70000110.9
1539N23.1Very low22.4Very low155 Ų155153.8 Ų153.883%0.82976%0.761SS**  trans-77.9150.9162.6-78.1-17.4000109.5
1540S21.9Very low22.2Very low115 Ų115155.9 Ų155.980%0.80477%0.766SS**  trans-132.3127.7152.2-1570000108.7
1541L25Very low22.3Very low156 Ų156152 Ų15282%0.81776%0.758SS**  trans-85151.8156.1-83.5157.2000108
1542D23Very low22.3Very low142 Ų142152.5 Ų152.576%0.75976%0.761SS**  trans-154.1125.1136.4-91.1-36.4000105.7
1543Y21.4Very low22.2Very low201 Ų201152.9 Ų152.979%0.78877%0.767SS**  67.8101.273.2-102.1-74.1000114.9
1544S23.3Very low22.3Very low123 Ų123150.3 Ų150.386%0.8677%0.767SS**  trans-169.7147.2132.6-800000110.3
1545E21.7Very low22.5Very low154 Ų154151.3 Ų151.372%0.7277%0.772SS**  trans-115.4-175.7174.6-59.7-173.4121.900110.8
1546Q22.4Very low22.5Very low149 Ų149149.2 Ų149.270%0.69677%0.77SS**  trans75.4150.2157-59.7170.835.300116.2
1547Q22.1Very low23Very low132 Ų132147.3 Ų147.362%0.61776%0.761SS**  cis-160.8155.6-12.4-114172.534.400111.2
1548Q22.3Very low23.1Very low110 Ų110144.3 Ų144.351%0.51476%0.759SS.*  trans37.6132.7146.1-59.217113.400122.1P717P717-Q1548 HydrophobicContact CG-CG 4.45Å
1549R24.4Very low23.4Very low233 Ų233147.4 Ų147.488%0.87976%0.761SS**  -175.4165.296.5-99.9-175.1-178.4-151.8-1.2114.6
1550E21.1Very low23.6Very low171 Ų171146.6 Ų146.680%0.79976%0.755SS**  trans-110145.5-178.9-55.7169.3109.700112.7
1551S24.9Very low23.6Very low110 Ų110148.9 Ų148.977%0.76976%0.758SS**  trans-168.8120.5148.949.90000107.9
1552T22.8Very low23.7Very low121 Ų121146.6 Ų146.674%0.74275%0.753SS**  81.5137.951.7660000115.1
1553L22.6Very low23.6Very low149 Ų149145.2 Ų145.278%0.7875%0.749SS**  trans74.4142.5179.5-50.5177.9000115
1554N22.6Very low23.7Very low136 Ų136142 Ų14273%0.72775%0.746SS**  cis121.4160.19.4-91.76.4000110.8
1555F26.2Very low23.8Very low189 Ų189142.7 Ų142.783%0.82975%0.745SS**  trans69.9161.8-171.5-57.5-79.5000115.5
1556D21Very low23.9Very low140 Ų140139.2 Ų139.275%0.74974%0.738SS**  -176.7175.4-53.4-113.1-54.4000107.9
1557A29.4Very low23.9Very low81 Ų81137.1 Ų137.167%0.66974%0.739SS**  trans66.5130.8178.100000114.7
1558N22.8Very low24.2Very low148 Ų148134.3 Ų134.379%0.79175%0.746SS**  cis62.386.445.8-63.3-29.1000114
1559H26.8Very low24.3Very low181 Ų181137.8 Ų137.884%0.83876%0.759SS**  -165.5149.3125.4-112.5-79.4000112.4
1560I27.8Very low24.3Very low138 Ų138133.8 Ų133.871%0.70876%0.756SS**  trans65.794.9155.8-56.5164.7000117.4
1561N22.1Very low24.7Very low162 Ų162132.4 Ų132.487%0.86676%0.759SS**  -69.5144.3125.2-80-41000107.1
1562P27.1Very low24.8Very low109 Ų109129.5 Ų129.571%0.70875%0.746SS**  -151.2-172.870.443.9-24.9000116.9
1563T21.9Very low25.2Very low112 Ų112132.5 Ų132.569%0.68775%0.751SS**  trans-68.8165.4174.253.60000115.9
1564N22.7Very low25.4Very low133 Ų133135 Ų13571%0.71176%0.756SS**  trans78.6104.8149.4-62.1-19.6000120.7
1565V26.1Very low25.4Very low138 Ų138139.6 Ų139.684%0.83676%0.763SS**  trans-140.5118.5132.8-177.30000105
1566S22.2Very low25.3Very low82 Ų82137.7 Ų137.757%0.57376%0.76SS**  cis71.2120.3379.70000118.9
1567S22.7Very low25.4Very low104 Ų104138 Ų13873%0.72776%0.757SS**  trans76.1154.6177.879.70000116.3
1568G27.9Very low25Very low73 Ų73141.4 Ų141.475%0.75376%0.759SS**  cis-94.8158.1-1000000112.7
1569F24.8Very low25.2Very low183 Ų183143 Ų14380%0.80376%0.761SS**  cis56.699.29.1-73.2-83.9000117
1570N24.3Very low25.1Very low150 Ų150137.5 Ų137.580%0.80275%0.754SS**  171.9111.4110.8-94.6-38.2000114.8
1571V30.1Very low25.5Very low142 Ų142138.8 Ų138.886%0.86176%0.762SS**  -149.1123.3121.5-176.20000102.4
1572G26.8Very low25.8Very low48 Ų48136.4 Ų136.450%0.49576%0.755SS.*  cis99114.448.900000107.3
1573H30.6Very low25.6Very low184 Ų184136.5 Ų136.585%0.85275%0.754SS**  cis-143.1172.5-1-53.3-98.6000107.7
1574K27.4Very low25.8Very low203 Ų203137 Ų13788%0.88376%0.757SS**  cis-137.6162.813-66.1174.6174.3177.70111.3
1575R23.6Very low25.9Very low232 Ų232138 Ų13888%0.87576%0.762SS**  trans-119154.2138.5-79-176.9171.9-166.8-1.3106.7
1576L22.6Very low25.9Very low149 Ų149136 Ų13678%0.7875%0.754SS**  173.8137119.8-116.181.5000112.6
1577H23.4Very low26Very low147 Ų147136.4 Ų136.468%0.68176%0.757SS**  trans57.5144.5134.5-82.9-138.2000124.4
1578Q22.4Very low26Very low151 Ų151139.7 Ų139.771%0.70676%0.76SS**  trans91.5140.6132.9-90.7166.4-14.800122.3
1579H25.6Very low25.8Very low182 Ų182140.8 Ų140.884%0.84376%0.757SS**  trans64147.3163.8-63.7-65.9000119.9
1580G24.2Very low25.7Very low66 Ų66141.3 Ų141.368%0.6876%0.759SS**  trans102.173.315500000118
1581N37.4Very low25.6Very low165 Ų165141 Ų14188%0.88276%0.757SS**  trans-68.5130.7138.4-88.3-18.4000107.2
1582P29.1Very low25.4Very low111 Ų111139 Ų13972%0.72175%0.745SS**  -140.7103.6121.731.6-15000113.1
1583T23Very low25.2Very low112 Ų112144 Ų14469%0.68776%0.756SS**  trans20.7127.5132.849.30000121.1
1584T25.9Very low24.9Very low121 Ų121142.5 Ų142.574%0.74275%0.753SS**  trans70.9148.813560.50000119.3
1585L24.5Very low24.7Very low156 Ų156137 Ų13782%0.81774%0.738SS**  cis-154.2171.7-8-106.9160.1000106
1586S25.4Very low24.9Very low95 Ų95132.3 Ų132.366%0.66474%0.735SS**  cis-156.6146.935.555.80000115.4
1587S23.5Very low25Very low91 Ų91129.4 Ų129.464%0.63673%0.733SS**  trans50125.9141.361.70000119.9
1588E24.5Very low25.1Very low172 Ų172129.4 Ų129.480%0.80474%0.738SS**  cis-139.4148.45.7-57.5-170.2130.800107.8
1589S22.2Very low25.2Very low97 Ų97127.1 Ų127.168%0.67874%0.738SS**  cis66.3131.747.8-46.30000112
1590F24Very low25.1Very low193 Ų193125.4 Ų125.485%0.84674%0.735SS**  cis-141.1157.632.6-103.3-93.7000115.5
1591N22.5Very low25.2Very low143 Ų143129.5 Ų129.577%0.76574%0.74SS**  trans-92.5151.9160-62.4-56.9000110.9
1592V24.6Very low24.7Very low100 Ų100127.7 Ų127.761%0.60673%0.734SS**  trans-152.483144.1-177.90000106.6
1593E22.4Very low25Very low154 Ų154128.4 Ų128.472%0.7274%0.739SS**  95.8137.781.3-86.3-176.4152.500113.9
1594L25Very low25Very low153 Ų153126.8 Ų126.880%0.80174%0.744SS**  trans-78.5155.7162.3-78.876.8000109.9
1595P23.8Very low24.9Very low88 Ų88125.3 Ų125.357%0.57175%0.753SS**  trans-111.891.214935-26.7000111.3I1074I1074-P1595 HydrophobicContact CD1-CB 4.43Å; I1074-P1595 HydrophobicContact CD1-CG 3.96Å; I1074-P1595 HydrophobicContact CG2-CG 4.29Å
1596T26.1Very low24.9Very low132 Ų132121.5 Ų121.581%0.8175%0.751SS**  trans-148.377.7156.8-46.10000111.8
1597A26.3Very low24.9Very low88 Ų88124.2 Ų124.273%0.72776%0.757SS**  trans-159.6141.7168.400000107.2
1598N25.9Very low24.9Very low147 Ų147130.6 Ų130.679%0.78677%0.767SS**  cis-163.3175.8-7.1-128.2-27.5000110.5
1599S24.2Very low24.9Very low103 Ų103133.1 Ų133.172%0.7277%0.769SS**  trans73.3147.1153.480.50000118.3
1600L22.8Very low25Very low146 Ų146135.6 Ų135.676%0.76476%0.764SS**  cis-160168.7-6.9-123.5171.8000111.5
1601I26.1Very low25Very low153 Ų153130.9 Ų130.979%0.78575%0.754SS**  trans75.4139.8166-59.8151.3000116.4
1602V26.6Very low25.1Very low127 Ų127129.3 Ų129.377%0.7775%0.746SS**  cis-179.1153.7-46.81410000107.3
1603P35.2Very low25Very low126 Ų126128.4 Ų128.482%0.81874%0.738SS**  trans-124.9-172.6-135.944.7-35.2000117.1
1604G22.9Very low25Very low77 Ų77123 Ų12379%0.79472%0.723SS**  trans166.5118.5153.200000120.3
1605G23.9Very low25Very low90 Ų90122.8 Ų122.893%0.92872%0.722SS**  trans80.815214800000120.2
1606G24.8Very low25.1Very low76 Ų76124.9 Ų124.978%0.78473%0.727SS**  trans177-75.2174.800000118.7
1607I25.7Very low25Very low152 Ų152123.6 Ų123.678%0.77972%0.723SS**  trans71.8112175.1-59179000118.3
1608R24.1Very low25.4Very low225 Ų225122.3 Ų122.385%0.84971%0.709SS**  trans45.5148.5140.4-51.3173.9-176.5171.6-0.1120.3
1609R23.5Very low26.3Very low225 Ų225119.9 Ų119.985%0.84970%0.704SS**  cis-143.3145.717.4-55.7169.3-175.6-173.21110.8
1610R24.3Very low28.1Very low150 Ų150119.2 Ų119.257%0.56669%0.691SS**  trans-129.7153.3137.4-48.8153.176.4-168.50.7106.4S704 L705 S706S704-R1610 WeakPolarHBondContact O-CD 3.32Å; S704-R1610 PolarHBondContact O-NH1 2.92Å; L705-R1610 HydrophobicContact CB-CB 3.67Å; L705-R1610 HydrophobicContact CB-CG 4.36Å; L705-R1610 WeakPolarHBondContact CD1-O 3.48Å; L705-R1610 WeakPolarHBondContact O-CD 3.28Å; L705-R1610 PolarHBondContact O-NE 2.95Å; L705-R1610 PolarHBondContact O-NH1 2.83Å; S706-R1610 WeakPolarHBondContact OG-CB 3.39Å
1611S24.3Very low30.8Very low93 Ų93115.8 Ų115.865%0.6567%0.673SS**  trans-148.9140.5178.450.60000111.1S706S706-S1611 VanDerWaalsContact CB-C 3.48Å; S706-S1611 WeakPolarHBondContact OG-CA 3.41Å; S706-S1611 PolarHBondContact OG-N 3.29Å
1612N23.9Very low33.5Very low110 Ų110110.2 Ų110.259%0.58865%0.648SS**  cis-137.3138.4-5.1-164.17.4000110.9L707 S708L707-N1612 CarbonylContact C-O 3.49Å; L707-N1612 VanDerWaalsContact C-O 3.28Å; L707-N1612 WeakPolarHBondContact CA-O 3.29Å; L707-N1612 PolarHBondContact N-O 2.93Å; S708-N1612 PolarHBondContact N-O 2.89Å; S708-N1612 PolarHBondContact OG-O 3.41Å
1613L24Very low36.4Very low82 Ų82109.4 Ų109.443%0.42963%0.634SS.*  trans-136.7121.1162.3-131.5167.6000106.8S706 L707S706-L1613 VanDerWaalsContact CA-N 3.34Å; L707-L1613 VanDerWaalsContact N-CB 3.29Å
1614G22.8Very low38.6Very low41 Ų41107 Ų10742%0.42361%0.61SS.*  -143140115.900000105.6
1615L23.7Very low41.5Very low148 Ų148105.6 Ų105.678%0.77558%0.584SS**SBendtrans168.1-2.6153-92162.7000115.1
1616I25.9Very low44.6Very low131 Ų131101.6 Ų101.667%0.67254%0.541SS*.  trans-118.784.2153.6-51.6-179.7000108.1
1617S25.4Very low47.5Very low105 Ų105102.2 Ų102.273%0.73452%0.523SS*.  trans-141.733.1170.672.20000112.1
1618S33.5Very low50.2Low61 Ų6196.1 Ų96.143%0.42750%0.495SS..SBendtrans-57.4135.2140.242.70000107.2I1620S1618-I1620 PolarHBondContact O-N 2.87Å
1619S45.9Very low53.2Low96 Ų9686.7 Ų86.767%0.67146%0.459SS*.  trans-69.2101.4-17455.30000110.6N1621S1619-N1621 PolarHBondContact O-N 2.92Å
1620I60.6Low56.3Low89 Ų8977 Ų7746%0.45642%0.424SS..  trans-53.1112171.3-62.8177.8000107.4L1119 S1618 P1622 I1625L1119-I1620 HydrophobicContact CD2-CD1 4.17Å; L1119-I1620 HydrophobicContact CD2-CG2 4.34Å; S1618-I1620 PolarHBondContact O-N 2.87Å; I1620-P1622 WeakPolarHBondContact O-CD 3.47Å; I1620-I1625 HydrophobicContact CG2-CD1 3.72Å
1621N80.8Confident59.4Low74 Ų7471.6 Ų71.640%0.39641%0.405SS..  trans-9999.3-175.2-177.5-16.9000108.5S1619 K1623 K1624 I1625S1619-N1621 PolarHBondContact O-N 2.92Å; N1621-K1623 PolarHBondContact O-N 3.34Å; N1621-K1623 VanDerWaalsContact O-N 3.14Å; N1621-K1623 WeakPolarHBondContact OD1-CB 3.46Å; N1621-K1623 PolarHBondContact OD1-N 3.46Å; N1621-K1623 VanDerWaalsContact OD1-N 3.11Å; N1621-K1624 HydrophobicContact CB-CB 4.22Å; N1621-K1624 PolarHBondContact O-N 3.3Å; N1621-K1624 PolarHBondContact OD1-N 3Å; N1621-I1625 PolarHBondContact O-N 2.86Å
1622P82.6Confident62.3Low37 Ų3768.5 Ų68.524%0.2438%0.383CS..Hα-helixtrans-63.2-23.5-175.926.2-35.5000112.5V1121 I1140 I1620 Y1626V1121-P1622 HydrophobicContact CG1-CB 4.06Å; V1121-P1622 HydrophobicContact CG2-CB 4.05Å; I1140-P1622 HydrophobicContact CD1-CB 4.03Å; I1140-P1622 HydrophobicContact CD1-CG 4.25Å; I1140-P1622 HydrophobicContact CG1-CB 3.86Å; I1620-P1622 WeakPolarHBondContact O-CD 3.47Å; P1622-Y1626 VanDerWaalsContact O-CB 3.29Å; P1622-Y1626 WeakPolarHBondContact O-CB 3.33Å; P1622-Y1626 PolarHBondContact O-N 2.79Å
1623K86.3Confident65.4Low110 Ų11064.6 Ų64.648%0.47836%0.362SS..Hα-helixtrans-66.3-47.6173.5-172.3-175.3163.7-179.70111.2L1138 N1621 I1625 Y1626 E1627L1138-K1623 HydrophobicContact CD1-CB 4.02Å; L1138-K1623 HydrophobicContact CD1-CG 4.43Å; N1621-K1623 PolarHBondContact O-N 3.34Å; N1621-K1623 VanDerWaalsContact O-N 3.14Å; N1621-K1623 WeakPolarHBondContact OD1-CB 3.46Å; N1621-K1623 PolarHBondContact OD1-N 3.46Å; N1621-K1623 VanDerWaalsContact OD1-N 3.11Å; K1623-I1625 PolarHBondContact O-N 2.89Å; K1623-Y1626 PolarHBondContact O-N 3.23Å; K1623-E1627 WeakPolarHBondContact CE-OE1 3.44Å; K1623-E1627 VanDerWaalsContact CE-OE2 3.27Å; K1623-E1627 WeakPolarHBondContact CE-OE2 3.32Å; K1623-E1627 HydrophobicContact CG-CG 4.4Å; K1623-E1627 IonicContact NZ-OE1 2.7Å; K1623-E1627 PolarHBondContact NZ-OE1 3.11Å; K1623-E1627 WeakPolarHBondContact O-CB 3.35Å; K1623-E1627 VanDerWaalsContact O-CG 3.31Å; K1623-E1627 WeakPolarHBondContact O-CG 3.47Å; K1623-E1627 PolarHBondContact O-N 3.07Å
1624K81.7Confident68.6Low75 Ų7563.3 Ų63.333%0.32635%0.351SS..Hα-helixtrans-59.2-44175-91.1-162.8163.6-162.90111.9V1089 L1090 N1621 E1627 S1628V1089-K1624 PolarHBondContact O-NZ 2.69Å; L1090-K1624 HydrophobicContact CB-CD 4.48Å; L1090-K1624 PolarHBondContact O-NZ 2.85Å; N1621-K1624 HydrophobicContact CB-CB 4.22Å; N1621-K1624 PolarHBondContact O-N 3.3Å; N1621-K1624 PolarHBondContact OD1-N 3Å; K1624-E1627 PolarHBondContact O-N 3.34Å; K1624-S1628 WeakPolarHBondContact O-CB 3.13Å; K1624-S1628 PolarHBondContact O-N 3.27Å
1625I83.5Confident71.8Confident48 Ų4861.5 Ų61.525%0.24633%0.332CS..Hα-helixtrans-64.3-45.9179.6-62.4171.7000110.6V1121 I1620 N1621 K1623 E1627 S1628 W1629V1121-I1625 HydrophobicContact CB-CG2 4.31Å; V1121-I1625 HydrophobicContact CG2-CB 3.97Å; V1121-I1625 HydrophobicContact CG2-CG2 3.77Å; I1620-I1625 HydrophobicContact CG2-CD1 3.72Å; N1621-I1625 PolarHBondContact O-N 2.86Å; K1623-I1625 PolarHBondContact O-N 2.89Å; I1625-E1627 PolarHBondContact O-N 3.13Å; I1625-S1628 PolarHBondContact O-N 3.04Å; I1625-W1629 WeakPolarHBondContact O-CB 3.49Å; I1625-W1629 PolarHBondContact O-N 3.15Å
1626Y88.8Confident74.8Confident6 Ų657.9 Ų57.92%0.02431%0.308CS..Hα-helixtrans-63.5-39.1176.1-178.2-91.1000112.7V1121 R1123 L1138 P1622 K1623 W1629 L1630V1121-Y1626 HydrophobicContact CG1-CD2 4.46Å; R1123-Y1626 HydrophobicContact CB-CD2 4.27Å; R1123-Y1626 HydrophobicContact CB-CE1 4.47Å; R1123-Y1626 HydrophobicContact CB-CE2 3.53Å; L1138-Y1626 HydrophobicContact CD2-CD1 3.93Å; L1138-Y1626 HydrophobicContact CD2-CD2 3.68Å; L1138-Y1626 HydrophobicContact CD2-CE1 4.46Å; L1138-Y1626 HydrophobicContact CD2-CE2 4.23Å; L1138-Y1626 HydrophobicContact CD2-CG 3.51Å; P1622-Y1626 VanDerWaalsContact O-CB 3.29Å; P1622-Y1626 WeakPolarHBondContact O-CB 3.33Å; P1622-Y1626 PolarHBondContact O-N 2.79Å; K1623-Y1626 PolarHBondContact O-N 3.23Å; Y1626-W1629 HydrophobicContact CD2-CE3 4.08Å; Y1626-W1629 HydrophobicContact CD2-CZ3 4.33Å; Y1626-W1629 AromaticContact CE2-CE3 3.94Å; Y1626-W1629 HydrophobicContact CE2-CE3 3.94Å; Y1626-W1629 AromaticContact CE2-CZ3 3.72Å; Y1626-W1629 HydrophobicContact CE2-CZ3 3.72Å; Y1626-L1630 HydrophobicContact CE1-CB 4.4Å; Y1626-L1630 HydrophobicContact CE1-CD2 3.98Å; Y1626-L1630 WeakPolarHBondContact O-CB 3.46Å; Y1626-L1630 PolarHBondContact O-N 2.97Å
1627E87Confident77.8Confident88 Ų8853 Ų5341%0.41128%0.284SS..Hα-helixtrans-68.3-40.8177.7-74.5173.9152.200111.8K1623 K1624 I1625 L1630 M1631K1623-E1627 WeakPolarHBondContact CE-OE1 3.44Å; K1623-E1627 VanDerWaalsContact CE-OE2 3.27Å; K1623-E1627 WeakPolarHBondContact CE-OE2 3.32Å; K1623-E1627 HydrophobicContact CG-CG 4.4Å; K1623-E1627 IonicContact NZ-OE1 2.7Å; K1623-E1627 PolarHBondContact NZ-OE1 3.11Å; K1623-E1627 WeakPolarHBondContact O-CB 3.35Å; K1623-E1627 VanDerWaalsContact O-CG 3.31Å; K1623-E1627 WeakPolarHBondContact O-CG 3.47Å; K1623-E1627 PolarHBondContact O-N 3.07Å; K1624-E1627 PolarHBondContact O-N 3.34Å; I1625-E1627 PolarHBondContact O-N 3.13Å; E1627-L1630 PolarHBondContact O-N 2.89Å; E1627-M1631 PolarHBondContact O-N 2.91Å
1628S81.4Confident81.1Confident25 Ų2548.6 Ų48.618%0.17525%0.251CS..Hα-helixtrans-62.4-50173.7-160.80000111.4K1624 I1625 L1630 M1631 T1632K1624-S1628 WeakPolarHBondContact O-CB 3.13Å; K1624-S1628 PolarHBondContact O-N 3.27Å; I1625-S1628 PolarHBondContact O-N 3.04Å; S1628-L1630 VanDerWaalsContact C-N 3.34Å; S1628-L1630 PolarHBondContact O-N 3.27Å; S1628-M1631 PolarHBondContact O-N 3.15Å; S1628-T1632 PolarHBondContact O-N 3.28Å; S1628-T1632 PolarHBondContact O-OG1 2.83Å; S1628-T1632 VanDerWaalsContact O-OG1 3.05Å
1629W87.2Confident83.7Confident26 Ų2647.9 Ų47.910%0.09824%0.241CC..Hα-helixtrans-61-41.4176.2168.582.4000112S1195 L1198 I1625 Y1626 M1631 T1632 L1633S1195-W1629 WeakPolarHBondContact O-CZ2 3.4Å; L1198-W1629 HydrophobicContact CB-CH2 4.11Å; L1198-W1629 HydrophobicContact CB-CZ2 4.22Å; L1198-W1629 HydrophobicContact CD2-CH2 3.9Å; L1198-W1629 HydrophobicContact CG-CH2 4.43Å; I1625-W1629 WeakPolarHBondContact O-CB 3.49Å; I1625-W1629 PolarHBondContact O-N 3.15Å; Y1626-W1629 HydrophobicContact CD2-CE3 4.08Å; Y1626-W1629 HydrophobicContact CD2-CZ3 4.33Å; Y1626-W1629 AromaticContact CE2-CE3 3.94Å; Y1626-W1629 HydrophobicContact CE2-CE3 3.94Å; Y1626-W1629 AromaticContact CE2-CZ3 3.72Å; Y1626-W1629 HydrophobicContact CE2-CZ3 3.72Å; W1629-M1631 VanDerWaalsContact C-N 3.34Å; W1629-M1631 PolarHBondContact O-N 3.44Å; W1629-T1632 PolarHBondContact O-N 2.89Å; W1629-L1633 HydrophobicContact CH2-CD2 3.5Å; W1629-L1633 HydrophobicContact CZ2-CD2 3.72Å; W1629-L1633 HydrophobicContact CZ3-CD2 4.28Å; W1629-L1633 WeakPolarHBondContact O-CB 3.5Å; W1629-L1633 PolarHBondContact O-N 2.59Å
1630L89.1Confident85.7Confident21 Ų2145.1 Ų45.111%0.1122%0.224CC..Hα-helixtrans-65.8-36.4177.1-177.963.9000111.6L1200 Y1626 E1627 S1628 L1633 R1634L1200-L1630 HydrophobicContact CD2-CD1 3.71Å; Y1626-L1630 HydrophobicContact CE1-CB 4.4Å; Y1626-L1630 HydrophobicContact CE1-CD2 3.98Å; Y1626-L1630 WeakPolarHBondContact O-CB 3.46Å; Y1626-L1630 PolarHBondContact O-N 2.97Å; E1627-L1630 PolarHBondContact O-N 2.89Å; S1628-L1630 VanDerWaalsContact C-N 3.34Å; S1628-L1630 PolarHBondContact O-N 3.27Å; L1630-L1633 PolarHBondContact O-N 3Å; L1630-R1634 VanDerWaalsContact O-CG 3.3Å; L1630-R1634 WeakPolarHBondContact O-CG 3.33Å; L1630-R1634 PolarHBondContact O-N 3Å
1631M88.6Confident86.9Confident37 Ų3746.8 Ų46.818%0.18223%0.234CC..Hα-helixtrans-69.5-41.6174.4-162.363.172.100111.6L1235 P1236 E1239 E1627 S1628 W1629 L1633 R1634 I1635L1235-M1631 HydrophobicContact CD2-SD 4.09Å; P1236-M1631 WeakPolarHBondContact CD-SD 3.49Å; P1236-M1631 HydrophobicContact CG-CE 3.89Å; P1236-M1631 HydrophobicContact CG-CG 4.07Å; P1236-M1631 HydrophobicContact CG-SD 4.04Å; E1239-M1631 WeakPolarHBondContact OE2-CB 3.48Å; E1239-M1631 VanDerWaalsContact OE2-CG 3.26Å; E1239-M1631 WeakPolarHBondContact OE2-CG 3.49Å; E1627-M1631 PolarHBondContact O-N 2.91Å; S1628-M1631 PolarHBondContact O-N 3.15Å; W1629-M1631 VanDerWaalsContact C-N 3.34Å; W1629-M1631 PolarHBondContact O-N 3.44Å; M1631-L1633 VanDerWaalsContact C-N 3.29Å; M1631-L1633 PolarHBondContact O-N 2.98Å; M1631-R1634 WeakPolarHBondContact O-CA 3.44Å; M1631-R1634 WeakPolarHBondContact O-CB 3.48Å; M1631-R1634 PolarHBondContact O-N 3.38Å; M1631-R1634 HydrophobicContact SD-CB 4.35Å; M1631-I1635 HydrophobicContact CG-CD1 4.3Å; M1631-I1635 WeakPolarHBondContact O-CG1 3.43Å; M1631-I1635 PolarHBondContact O-N 3.33Å
1632T85.8Confident87.3Confident28 Ų2844.7 Ų44.717%0.17222%0.222CC..Hα-helixtrans-56.4-44.2171.3-550000111.4S1628 W1629 R1634 I1635 R1636S1628-T1632 PolarHBondContact O-N 3.28Å; S1628-T1632 PolarHBondContact O-OG1 2.83Å; S1628-T1632 VanDerWaalsContact O-OG1 3.05Å; W1629-T1632 PolarHBondContact O-N 2.89Å; T1632-R1634 PolarHBondContact O-N 3.43Å; T1632-I1635 PolarHBondContact O-N 2.91Å; T1632-R1636 WeakPolarHBondContact O-CB 3.44Å; T1632-R1636 VanDerWaalsContact O-CG 3.28Å; T1632-R1636 WeakPolarHBondContact O-CG 3.2Å; T1632-R1636 PolarHBondContact O-N 3.06Å
1633L88.3Confident87.6Confident29 Ų2953.7 Ų53.715%0.15225%0.251CS..Hα-helixtrans-64.5-36.3174.8-17764.4000112.4L1198 L1200 W1629 L1630 M1631 T1637L1198-L1633 WeakPolarHBondContact O-CD2 3.46Å; L1200-L1633 HydrophobicContact CD2-CB 4.37Å; L1200-L1633 HydrophobicContact CD2-CD2 3.67Å; L1200-L1633 HydrophobicContact CD2-CG 3.78Å; L1200-L1633 HydrophobicContact CG-CD2 4.21Å; L1200-L1633 HydrophobicContact CG-CG 4.08Å; W1629-L1633 HydrophobicContact CH2-CD2 3.5Å; W1629-L1633 HydrophobicContact CZ2-CD2 3.72Å; W1629-L1633 HydrophobicContact CZ3-CD2 4.28Å; W1629-L1633 WeakPolarHBondContact O-CB 3.5Å; W1629-L1633 PolarHBondContact O-N 2.59Å; L1630-L1633 PolarHBondContact O-N 3Å; M1631-L1633 VanDerWaalsContact C-N 3.29Å; M1631-L1633 PolarHBondContact O-N 2.98Å; L1633-T1637 VanDerWaalsContact O-CB 3.31Å; L1633-T1637 WeakPolarHBondContact O-CB 3.41Å; L1633-T1637 PolarHBondContact O-N 2.77Å; L1633-T1637 PolarHBondContact O-OG1 2.92Å
1634R91.9Very high87.8Confident55 Ų5550.1 Ų50.121%0.20824%0.239CC..Hα-helixtrans-66.9-44.7174.4-74.6175.6177.5-158.81.4112.7L1200 E1227 V1230 L1235 L1630 M1631 T1632 R1636 T1637 Y1638L1200-R1634 HydrophobicContact CD1-CG 3.91Å; L1200-R1634 HydrophobicContact CD2-CG 3.77Å; E1227-R1634 IonicContact OE1-CZ 3.61Å; E1227-R1634 IonicContact OE1-NH2 3.56Å; E1227-R1634 PolarHBondContact OE1-NH2 2.65Å; V1230-R1634 HydrophobicContact CG1-CB 4.28Å; V1230-R1634 HydrophobicContact CG2-CB 3.93Å; V1230-R1634 HydrophobicContact CG2-CG 3.88Å; L1235-R1634 HydrophobicContact CD2-CB 3.93Å; L1630-R1634 VanDerWaalsContact O-CG 3.3Å; L1630-R1634 WeakPolarHBondContact O-CG 3.33Å; L1630-R1634 PolarHBondContact O-N 3Å; M1631-R1634 WeakPolarHBondContact O-CA 3.44Å; M1631-R1634 WeakPolarHBondContact O-CB 3.48Å; M1631-R1634 PolarHBondContact O-N 3.38Å; M1631-R1634 HydrophobicContact SD-CB 4.35Å; T1632-R1634 PolarHBondContact O-N 3.43Å; R1634-R1636 VanDerWaalsContact C-N 3.35Å; R1634-R1636 PolarHBondContact O-N 3.27Å; R1634-T1637 PolarHBondContact O-N 2.84Å; R1634-Y1638 WeakPolarHBondContact O-CB 3.2Å; R1634-Y1638 PolarHBondContact O-N 3.34Å
1635I90.7Very high88.3Confident2 Ų247.9 Ų47.91%0.0123%0.232CC..Hα-helixtrans-58.9-48.1175.5-67.2166.4000110L1235 E1239 L1240 R1243 M1631 T1632 Y1638 F1639L1235-I1635 HydrophobicContact CD1-CG1 4.3Å; L1235-I1635 HydrophobicContact CD2-CG1 3.86Å; E1239-I1635 HydrophobicContact CB-CD1 4.24Å; L1240-I1635 HydrophobicContact CD1-CG1 4.21Å; L1240-I1635 HydrophobicContact CD1-CG2 3.71Å; R1243-I1635 HydrophobicContact CB-CD1 4.31Å; R1243-I1635 HydrophobicContact CB-CG2 4.44Å; R1243-I1635 HydrophobicContact CG-CG2 4.35Å; M1631-I1635 HydrophobicContact CG-CD1 4.3Å; M1631-I1635 WeakPolarHBondContact O-CG1 3.43Å; M1631-I1635 PolarHBondContact O-N 3.33Å; T1632-I1635 PolarHBondContact O-N 2.91Å; I1635-Y1638 WeakPolarHBondContact O-CB 3.32Å; I1635-Y1638 PolarHBondContact O-N 2.97Å; I1635-F1639 HydrophobicContact CG2-CD2 3.85Å; I1635-F1639 HydrophobicContact CG2-CE2 3.74Å; I1635-F1639 WeakPolarHBondContact O-CD2 3.44Å; I1635-F1639 PolarHBondContact O-N 3.19Å
1636R86.4Confident88.3Confident73 Ų7350.5 Ų50.528%0.27524%0.243SC..Hα-helixtrans-63.1-44.5177.2-70.8168.6-178.8-151.6-8.8112.6L1097 T1632 R1634 Y1638 F1639 A1640L1097-R1636 PolarHBondContact O-NH1 2.88Å; L1097-R1636 PolarHBondContact O-NH2 2.89Å; T1632-R1636 WeakPolarHBondContact O-CB 3.44Å; T1632-R1636 VanDerWaalsContact O-CG 3.28Å; T1632-R1636 WeakPolarHBondContact O-CG 3.2Å; T1632-R1636 PolarHBondContact O-N 3.06Å; R1634-R1636 VanDerWaalsContact C-N 3.35Å; R1634-R1636 PolarHBondContact O-N 3.27Å; R1636-Y1638 VanDerWaalsContact C-N 3.26Å; R1636-Y1638 PolarHBondContact O-N 2.91Å; R1636-F1639 PolarHBondContact O-N 2.8Å; R1636-A1640 WeakPolarHBondContact O-CB 3.48Å; R1636-A1640 PolarHBondContact O-N 2.84Å
1637T88.7Confident88.2Confident28 Ų2853.7 Ų53.717%0.17226%0.26CS..Hα-helixtrans-65.7-30.8178.3-52.40000111.8L1200 L1633 R1634 N1641L1200-T1637 HydrophobicContact CD1-CG2 3.81Å; L1200-T1637 HydrophobicContact CG-CG2 4.38Å; L1633-T1637 VanDerWaalsContact O-CB 3.31Å; L1633-T1637 WeakPolarHBondContact O-CB 3.41Å; L1633-T1637 PolarHBondContact O-N 2.77Å; L1633-T1637 PolarHBondContact O-OG1 2.92Å; R1634-T1637 PolarHBondContact O-N 2.84Å; T1637-N1641 PolarHBondContact O-N 2.88Å; T1637-N1641 PolarHBondContact O-ND2 2.86Å
1638Y93.3Very high87.9Confident13 Ų1353 Ų535%0.05126%0.263CS..Hα-helixtrans-66.5-57.3172.3171.3-103.8000111.6F1232 L1235 W1311 E1315 R1634 I1635 R1636 A1640 N1641 L1642F1232-Y1638 HydrophobicContact CB-CE2 4.07Å; F1232-Y1638 HydrophobicContact CD2-CE1 4.46Å; L1235-Y1638 HydrophobicContact CD1-CD1 3.78Å; L1235-Y1638 HydrophobicContact CD1-CG 3.81Å; W1311-Y1638 AromaticContact CZ2-CE1 3.78Å; W1311-Y1638 HydrophobicContact CZ2-CE1 3.78Å; W1311-Y1638 AromaticContact NE1-CE1 3.86Å; W1311-Y1638 AromaticContact NE1-CZ 3.79Å; W1311-Y1638 PolarHBondContact NE1-OH 2.93Å; E1315-Y1638 WeakPolarHBondContact CG-OH 3.49Å; E1315-Y1638 WeakPolarHBondContact OE1-CE2 3.39Å; E1315-Y1638 PolarHBondContact OE1-OH 3.03Å; R1634-Y1638 WeakPolarHBondContact O-CB 3.2Å; R1634-Y1638 PolarHBondContact O-N 3.34Å; I1635-Y1638 WeakPolarHBondContact O-CB 3.32Å; I1635-Y1638 PolarHBondContact O-N 2.97Å; R1636-Y1638 VanDerWaalsContact C-N 3.26Å; R1636-Y1638 PolarHBondContact O-N 2.91Å; Y1638-A1640 PolarHBondContact O-N 2.98Å; Y1638-N1641 CarbonylContact O-C 3.5Å; Y1638-N1641 PolarHBondContact O-N 3.07Å; Y1638-L1642 PolarHBondContact O-N 2.82Å
1639F89.5Confident87.9Confident45 Ų4558.6 Ų58.620%0.19729%0.286CS..Hα-helixtrans-61.5-29.1178-72.3-60000113.2L1240 L1244 W1311 I1635 R1636 N1641 L1642L1240-F1639 HydrophobicContact CD1-CE2 3.56Å; L1240-F1639 HydrophobicContact CD1-CZ 3.8Å; L1244-F1639 HydrophobicContact CD1-CZ 4.09Å; L1244-F1639 HydrophobicContact CD2-CE1 4.28Å; L1244-F1639 HydrophobicContact CD2-CE2 3.68Å; L1244-F1639 HydrophobicContact CD2-CZ 3.51Å; L1244-F1639 HydrophobicContact CG-CE2 4.11Å; L1244-F1639 HydrophobicContact CG-CZ 4Å; W1311-F1639 HydrophobicContact CD2-CE1 4.21Å; W1311-F1639 AromaticContact CE2-CE1 3.95Å; W1311-F1639 HydrophobicContact CE3-CE1 4.24Å; W1311-F1639 AromaticContact CH2-CE1 3.81Å; W1311-F1639 HydrophobicContact CH2-CE1 3.81Å; W1311-F1639 AromaticContact CH2-CZ 3.62Å; W1311-F1639 HydrophobicContact CH2-CZ 3.62Å; W1311-F1639 AromaticContact CZ2-CE1 3.75Å; W1311-F1639 HydrophobicContact CZ2-CE1 3.75Å; W1311-F1639 AromaticContact CZ2-CZ 3.93Å; W1311-F1639 HydrophobicContact CZ2-CZ 3.93Å; W1311-F1639 HydrophobicContact CZ3-CE1 4.05Å; W1311-F1639 HydrophobicContact CZ3-CZ 4.03Å; I1635-F1639 HydrophobicContact CG2-CD2 3.85Å; I1635-F1639 HydrophobicContact CG2-CE2 3.74Å; I1635-F1639 WeakPolarHBondContact O-CD2 3.44Å; I1635-F1639 PolarHBondContact O-N 3.19Å; R1636-F1639 PolarHBondContact O-N 2.8Å; F1639-N1641 VanDerWaalsContact C-N 3.3Å; F1639-N1641 PolarHBondContact O-N 3.39Å; F1639-L1642 HydrophobicContact CD1-CD2 3.84Å; F1639-L1642 HydrophobicContact CE1-CD2 4.22Å; F1639-L1642 PolarHBondContact O-N 2.67Å
1640A86.5Confident88Confident39 Ų3960.8 Ų60.832%0.32230%0.3SS..Hα-helixtrans-65.8-29.1173.500000114F1101 R1636 Y1638F1101-A1640 HydrophobicContact CE2-CB 3.54Å; F1101-A1640 VanDerWaalsContact CZ-CA 3.46Å; F1101-A1640 HydrophobicContact CZ-CB 3.53Å; F1101-A1640 WeakPolarHBondContact CZ-O 3.34Å; R1636-A1640 WeakPolarHBondContact O-CB 3.48Å; R1636-A1640 PolarHBondContact O-N 2.84Å; Y1638-A1640 PolarHBondContact O-N 2.98Å
1641N87Confident88Confident123 Ų12359.8 Ų59.866%0.65829%0.294SS*.Hα-helixtrans-101.1-5.4178.2-71.3-84000112.9T1637 Y1638 F1639 R1643T1637-N1641 PolarHBondContact O-N 2.88Å; T1637-N1641 PolarHBondContact O-ND2 2.86Å; Y1638-N1641 CarbonylContact O-C 3.5Å; Y1638-N1641 PolarHBondContact O-N 3.07Å; F1639-N1641 VanDerWaalsContact C-N 3.3Å; F1639-N1641 PolarHBondContact O-N 3.39Å; N1641-R1643 PolarHBondContact O-N 3.29Å
1642L88.7Confident88Confident31 Ų3160.7 Ų60.716%0.16231%0.305CS..  trans-67.6112177.7179.365.5000110.4W1311 Y1638 F1639 V1644W1311-L1642 HydrophobicContact CB-CD2 4.42Å; W1311-L1642 VanDerWaalsContact CD1-CD2 3.47Å; W1311-L1642 HydrophobicContact CD2-CD2 4.42Å; W1311-L1642 HydrophobicContact CG-CD2 3.86Å; Y1638-L1642 PolarHBondContact O-N 2.82Å; F1639-L1642 HydrophobicContact CD1-CD2 3.84Å; F1639-L1642 HydrophobicContact CE1-CD2 4.22Å; F1639-L1642 PolarHBondContact O-N 2.67Å; L1642-V1644 HydrophobicContact CD1-CG2 4.42Å; L1642-V1644 HydrophobicContact CD2-CG2 3.82Å; L1642-V1644 HydrophobicContact CG-CG2 3.8Å
1643R89.9Confident88.2Confident225 Ų22563.5 Ų63.585%0.84932%0.316SS*.  trans-101.4101.9168.7-70.6-173.1177.6-94.2-4109.1T1314 N1641T1314-R1643 WeakPolarHBondContact CG2-O 3.27Å; N1641-R1643 PolarHBondContact O-N 3.29Å
1644V90.3Very high88.3Confident35 Ų3563.4 Ų63.421%0.21232%0.315CS..  trans-75.1134.3178-178.80000110.3R1307 L1642 Q1646R1307-V1644 HydrophobicContact CG-CG2 3.79Å; L1642-V1644 HydrophobicContact CD1-CG2 4.42Å; L1642-V1644 HydrophobicContact CD2-CG2 3.82Å; L1642-V1644 HydrophobicContact CG-CG2 3.8Å; V1644-Q1646 HydrophobicContact CG1-CG 4.26Å
1645V90.8Very high88.3Confident29 Ų2960.8 Ų60.818%0.17631%0.306CS..  trans-92.7104.1171.6178.80000108.1T1314 D1647 L1650 L1651T1314-V1645 HydrophobicContact CG2-CB 4.29Å; T1314-V1645 HydrophobicContact CG2-CG2 3.97Å; T1314-V1645 PolarHBondContact OG1-N 2.8Å; V1645-D1647 VanDerWaalsContact C-N 3.35Å; V1645-D1647 HydrophobicContact CG1-CB 4.26Å; V1645-L1650 HydrophobicContact CG1-CB 3.96Å; V1645-L1650 HydrophobicContact CG1-CD2 3.67Å; V1645-L1650 HydrophobicContact CG1-CG 4.32Å; V1645-L1650 HydrophobicContact CG2-CD2 4.12Å; V1645-L1651 HydrophobicContact CB-CD2 4.01Å; V1645-L1651 HydrophobicContact CB-CG 4.2Å; V1645-L1651 HydrophobicContact CG1-CD2 4.13Å; V1645-L1651 HydrophobicContact CG1-CG 3.84Å; V1645-L1651 WeakPolarHBondContact O-CD1 3.17Å
1646Q85.3Confident88.2Confident102 Ų10263.1 Ų63.148%0.47732%0.322SS..  trans-86.3-7.6174.6-64175.5-32.200112.8Y1310 V1644 P1648Y1310-Q1646 HydrophobicContact CD2-CB 4.09Å; Y1310-Q1646 HydrophobicContact CD2-CG 3.8Å; Y1310-Q1646 HydrophobicContact CE2-CB 4.26Å; Y1310-Q1646 HydrophobicContact CE2-CG 4.36Å; Y1310-Q1646 HydrophobicContact CG-CB 4.46Å; Y1310-Q1646 HydrophobicContact CG-CG 4.27Å; V1644-Q1646 HydrophobicContact CG1-CG 4.26Å; Q1646-P1648 WeakPolarHBondContact O-CD 3.43Å
1647D85.9Confident88.4Confident74 Ų7468 Ų6840%0.39634%0.341SS..  trans-81.3112.2178177.7-8.3000110.5V1645 E1649 L1650 L1651V1645-D1647 VanDerWaalsContact C-N 3.35Å; V1645-D1647 HydrophobicContact CG1-CB 4.26Å; D1647-E1649 VanDerWaalsContact C-N 3.33Å; D1647-E1649 PolarHBondContact O-N 2.87Å; D1647-E1649 WeakPolarHBondContact OD1-CA 3.46Å; D1647-E1649 WeakPolarHBondContact OD1-CB 3.43Å; D1647-E1649 PolarHBondContact OD1-N 3.16Å; D1647-L1650 HydrophobicContact CB-CB 3.88Å; D1647-L1650 PolarHBondContact O-N 3.39Å; D1647-L1650 PolarHBondContact OD1-N 2.9Å; D1647-L1651 PolarHBondContact O-N 3.06Å
1648P80.3Confident88.4Confident72 Ų7268.3 Ų68.347%0.46834%0.34SS..Hα-helixtrans-70.3-27-178.830-35.3000112.8Q1646 S1652Q1646-P1648 WeakPolarHBondContact O-CD 3.43Å; P1648-S1652 VanDerWaalsContact O-CB 3.25Å; P1648-S1652 WeakPolarHBondContact O-CB 3.19Å; P1648-S1652 PolarHBondContact O-N 3.44Å
1649E82.6Confident88.2Confident143 Ų14368.3 Ų68.367%0.66834%0.341SS*.Hα-helixtrans-68.1-40.8173.2-67.4-167.8-168.700110.2D1647 S1652 Q1653D1647-E1649 VanDerWaalsContact C-N 3.33Å; D1647-E1649 PolarHBondContact O-N 2.87Å; D1647-E1649 WeakPolarHBondContact OD1-CA 3.46Å; D1647-E1649 WeakPolarHBondContact OD1-CB 3.43Å; D1647-E1649 PolarHBondContact OD1-N 3.16Å; E1649-S1652 PolarHBondContact O-N 3.07Å; E1649-Q1653 WeakPolarHBondContact O-CB 3.42Å; E1649-Q1653 VanDerWaalsContact O-CG 3.29Å; E1649-Q1653 WeakPolarHBondContact O-CG 3.27Å; E1649-Q1653 PolarHBondContact O-N 2.86Å
1650L89.2Confident87.7Confident72 Ų7270.9 Ų70.938%0.37736%0.362SS..Hα-helixtrans-69.7-40.2178.2-159.5151.5000111.7V1645 D1647 S1652 Q1653 L1654V1645-L1650 HydrophobicContact CG1-CB 3.96Å; V1645-L1650 HydrophobicContact CG1-CD2 3.67Å; V1645-L1650 HydrophobicContact CG1-CG 4.32Å; V1645-L1650 HydrophobicContact CG2-CD2 4.12Å; D1647-L1650 HydrophobicContact CB-CB 3.88Å; D1647-L1650 PolarHBondContact O-N 3.39Å; D1647-L1650 PolarHBondContact OD1-N 2.9Å; L1650-S1652 VanDerWaalsContact C-N 3.35Å; L1650-S1652 PolarHBondContact O-N 2.94Å; L1650-Q1653 PolarHBondContact O-N 3.5Å; L1650-L1654 HydrophobicContact CD2-CD1 3.67Å; L1650-L1654 HydrophobicContact CD2-CG 3.99Å; L1650-L1654 WeakPolarHBondContact O-CB 3.48Å; L1650-L1654 WeakPolarHBondContact O-CG 3.19Å; L1650-L1654 PolarHBondContact O-N 2.82Å
1651L89.2Confident86.5Confident0 Ų073.6 Ų73.60%038%0.379CS..Hα-helixtrans-60.2-43170.7-75.2172.8000112Y1310 P1313 C1317 P1359 V1645 D1647 L1654 S1655Y1310-L1651 HydrophobicContact CD1-CD1 3.86Å; Y1310-L1651 HydrophobicContact CE1-CD1 4.34Å; P1313-L1651 HydrophobicContact CB-CD1 3.84Å; P1313-L1651 HydrophobicContact CB-CD2 4.06Å; C1317-L1651 HydrophobicContact CB-CD2 4.26Å; P1359-L1651 HydrophobicContact CB-CB 4.05Å; P1359-L1651 HydrophobicContact CG-CB 3.88Å; V1645-L1651 HydrophobicContact CB-CD2 4.01Å; V1645-L1651 HydrophobicContact CB-CG 4.2Å; V1645-L1651 HydrophobicContact CG1-CD2 4.13Å; V1645-L1651 HydrophobicContact CG1-CG 3.84Å; V1645-L1651 WeakPolarHBondContact O-CD1 3.17Å; D1647-L1651 PolarHBondContact O-N 3.06Å; L1651-L1654 PolarHBondContact O-N 3.47Å; L1651-S1655 WeakPolarHBondContact O-CB 3.18Å; L1651-S1655 PolarHBondContact O-N 3.41Å
1652S87.7Confident84.5Confident57 Ų5771.5 Ų71.540%0.39939%0.386SS..Hα-helixtrans-63.9-40.7176.1-172.30000112.2P1648 E1649 L1650 L1654 S1655 S1656P1648-S1652 VanDerWaalsContact O-CB 3.25Å; P1648-S1652 WeakPolarHBondContact O-CB 3.19Å; P1648-S1652 PolarHBondContact O-N 3.44Å; E1649-S1652 PolarHBondContact O-N 3.07Å; L1650-S1652 VanDerWaalsContact C-N 3.35Å; L1650-S1652 PolarHBondContact O-N 2.94Å; S1652-L1654 PolarHBondContact O-N 3.3Å; S1652-S1655 PolarHBondContact O-N 3.43Å; S1652-S1656 WeakPolarHBondContact O-CB 3.49Å; S1652-S1656 PolarHBondContact O-N 3.37Å; S1652-S1656 PolarHBondContact O-OG 2.86Å
1653Q89.2Confident82.1Confident86 Ų8676.7 Ų76.740%0.40241%0.407SS..Hα-helixtrans-64.5-35.4172.7-75.8178.85600113.3E1649 L1650 S1656 R1657E1649-Q1653 WeakPolarHBondContact O-CB 3.42Å; E1649-Q1653 VanDerWaalsContact O-CG 3.29Å; E1649-Q1653 WeakPolarHBondContact O-CG 3.27Å; E1649-Q1653 PolarHBondContact O-N 2.86Å; L1650-Q1653 PolarHBondContact O-N 3.5Å; Q1653-S1656 WeakPolarHBondContact CA-OG 3.5Å; Q1653-S1656 PolarHBondContact O-OG 3.08Å; Q1653-R1657 VanDerWaalsContact O-CD 3.31Å; Q1653-R1657 WeakPolarHBondContact O-CD 3.36Å; Q1653-R1657 WeakPolarHBondContact O-CG 3.4Å; Q1653-R1657 PolarHBondContact O-N 2.64Å; Q1653-R1657 PolarHBondContact O-NE 2.86Å
1654L91.4Very high79.2Confident28 Ų2874 Ų7415%0.14741%0.41CS..Hα-helixtrans-69.4-50.3174.6-77.1175.6000111.2C1317 L1650 L1651 S1652 S1656 R1657 I1658C1317-L1654 HydrophobicContact CB-CB 4.03Å; C1317-L1654 WeakPolarHBondContact O-CB 3.24Å; L1650-L1654 HydrophobicContact CD2-CD1 3.67Å; L1650-L1654 HydrophobicContact CD2-CG 3.99Å; L1650-L1654 WeakPolarHBondContact O-CB 3.48Å; L1650-L1654 WeakPolarHBondContact O-CG 3.19Å; L1650-L1654 PolarHBondContact O-N 2.82Å; L1651-L1654 PolarHBondContact O-N 3.47Å; S1652-L1654 PolarHBondContact O-N 3.3Å; L1654-S1656 VanDerWaalsContact C-N 3.35Å; L1654-S1656 PolarHBondContact O-N 2.9Å; L1654-R1657 PolarHBondContact O-N 2.83Å; L1654-R1657 VanDerWaalsContact O-N 3.14Å; L1654-I1658 PolarHBondContact O-N 3.49Å
1655S91.7Very high76.4Confident0 Ų078 Ų780%044%0.439CS..Hα-helixtrans-56.1-46.1177.5-179.70000112.5P1359 R1362 L1363 L1651 S1652 R1657 I1658 E1659P1359-S1655 WeakPolarHBondContact O-CB 2.99Å; P1359-S1655 PolarHBondContact O-OG 3.21Å; R1362-S1655 VanDerWaalsContact CD-OG 3.26Å; R1362-S1655 WeakPolarHBondContact CD-OG 3.24Å; R1362-S1655 WeakPolarHBondContact CG-OG 3.34Å; R1362-S1655 PolarHBondContact NH1-O 3.04Å; R1362-S1655 PolarHBondContact NH1-OG 2.94Å; L1363-S1655 VanDerWaalsContact CD2-OG 3.31Å; L1363-S1655 WeakPolarHBondContact CD2-OG 3.37Å; L1651-S1655 WeakPolarHBondContact O-CB 3.18Å; L1651-S1655 PolarHBondContact O-N 3.41Å; S1652-S1655 PolarHBondContact O-N 3.43Å; S1655-R1657 VanDerWaalsContact C-N 3.3Å; S1655-R1657 PolarHBondContact O-N 3.13Å; S1655-I1658 PolarHBondContact O-N 2.87Å; S1655-I1658 VanDerWaalsContact O-N 3.13Å; S1655-E1659 PolarHBondContact O-N 3.37Å
1656S88.8Confident73.4Confident51 Ų5184.5 Ų84.536%0.35747%0.465SS..Hα-helixtrans-69.9-21.3179.553.20000114.4S1652 Q1653 L1654 P1660S1652-S1656 WeakPolarHBondContact O-CB 3.49Å; S1652-S1656 PolarHBondContact O-N 3.37Å; S1652-S1656 PolarHBondContact O-OG 2.86Å; Q1653-S1656 WeakPolarHBondContact CA-OG 3.5Å; Q1653-S1656 PolarHBondContact O-OG 3.08Å; L1654-S1656 VanDerWaalsContact C-N 3.35Å; L1654-S1656 PolarHBondContact O-N 2.9Å; S1656-P1660 WeakPolarHBondContact O-CA 3.41Å
1657R89.8Confident70.6Confident176 Ų17684.4 Ų84.466%0.66448%0.482SS*.Hα-helixtrans-78-26.4169.7-71.6167.2-163-176.39.2113Q1653 L1654 S1655Q1653-R1657 VanDerWaalsContact O-CD 3.31Å; Q1653-R1657 WeakPolarHBondContact O-CD 3.36Å; Q1653-R1657 WeakPolarHBondContact O-CG 3.4Å; Q1653-R1657 PolarHBondContact O-N 2.64Å; Q1653-R1657 PolarHBondContact O-NE 2.86Å; L1654-R1657 PolarHBondContact O-N 2.83Å; L1654-R1657 VanDerWaalsContact O-N 3.14Å; S1655-R1657 VanDerWaalsContact C-N 3.3Å; S1655-R1657 PolarHBondContact O-N 3.13Å
1658I90.4Very high67.9Low33 Ų3387.7 Ų87.717%0.16950%0.504CS..Hα-helixtrans-89.6-45.9-176.5-71.3-178.2000111.7C1317 T1320 L1654 S1655C1317-I1658 WeakPolarHBondContact O-CD1 3.17Å; T1320-I1658 HydrophobicContact CG2-CD1 4.43Å; T1320-I1658 HydrophobicContact CG2-CG1 4.4Å; L1654-I1658 PolarHBondContact O-N 3.49Å; S1655-I1658 PolarHBondContact O-N 2.87Å; S1655-I1658 VanDerWaalsContact O-N 3.13Å
1659E88.1Confident65.4Low14 Ų1492.2 Ų92.27%0.06552%0.519CS..SBendtrans-124.490.4169.5-74.3179.6-139.600108.8R1325 R1362 L1363 K1364 Q1365 T1366 S1655 S1661R1325-E1659 IonicContact CZ-OE1 3.9Å; R1325-E1659 IonicContact NE-OE1 2.75Å; R1325-E1659 IonicContact NH2-OE1 2.95Å; R1325-E1659 PolarHBondContact NH2-OE1 3.02Å; R1362-E1659 VanDerWaalsContact CZ-O 3.31Å; R1362-E1659 PolarHBondContact NH1-O 3.47Å; R1362-E1659 PolarHBondContact NH2-O 2.81Å; L1363-E1659 VanDerWaalsContact CA-OE2 3.27Å; L1363-E1659 WeakPolarHBondContact CA-OE2 3.08Å; L1363-E1659 HydrophobicContact CD2-CB 3.82Å; L1363-E1659 HydrophobicContact CD2-CG 4.05Å; K1364-E1659 PolarHBondContact N-OE2 3.24Å; Q1365-E1659 WeakPolarHBondContact CB-OE2 3.44Å; Q1365-E1659 PolarHBondContact N-OE2 2.88Å; T1366-E1659 PolarHBondContact OG1-OE1 3.41Å; S1655-E1659 PolarHBondContact O-N 3.37Å; E1659-S1661 PolarHBondContact O-N 3.46Å
1660P78.2Confident62.8Low98 Ų9891.3 Ų91.364%0.63653%0.526SS*.  trans-65.3130.9174.126.6-33.5000109.9S1656 G1662S1656-P1660 WeakPolarHBondContact O-CA 3.41Å; P1660-G1662 PolarHBondContact O-N 3.4Å
1661S61.7Low59.8Low97 Ų9796.9 Ų96.968%0.67855%0.547SS*.  trans-63.2119.2-179.148.10000110.9E1659 K1663E1659-S1661 PolarHBondContact O-N 3.46Å; S1661-K1663 VanDerWaalsContact C-N 3.26Å; S1661-K1663 PolarHBondContact O-N 2.91Å
1662G45.9Very low56.7Low78 Ų78103 Ų10380%0.80458%0.584SS**SBendtrans-71.257.4-166.700000117.1P1660P1660-G1662 PolarHBondContact O-N 3.4Å
1663K37.1Very low54Low140 Ų140106.2 Ų106.261%0.60960%0.601SS**SBendtrans-142.359.4167.9-72.6-170.8172.4166.90112.1S1661 N1829S1661-K1663 VanDerWaalsContact C-N 3.26Å; S1661-K1663 PolarHBondContact O-N 2.91Å; K1663-N1829 WeakPolarHBondContact CE-O 3.32Å; K1663-N1829 PolarHBondContact NZ-O 2.92Å
1664D29.7Very low50.9Low170 Ų170107 Ų10791%0.90962%0.616SS**  trans178.795147.5-94.2-25.4000111.6
1665S31Very low47.7Very low118 Ų118110.7 Ų110.783%0.82564%0.644SS**  trans-155.952.917459.80000115.8
1666K28.3Very low44.7Very low166 Ų166117.2 Ų117.272%0.72268%0.684SS**SBendtrans-88.2100.3153.9-83.5-169.6179.81800110.1N1833K1666-N1833 PolarHBondContact NZ-ND2 2.8Å
1667A26.8Very low41.8Very low99 Ų99117.7 Ų117.782%0.81870%0.697SS**  trans44.591.315900000119.1
1668V28.6Very low38.8Very low144 Ų144116.6 Ų116.687%0.87370%0.702SS**  trans-134.8135.6146.7-177.10000108.2
1669Q28.3Very low35.9Very low166 Ų166120.3 Ų120.378%0.77673%0.727SS**  trans-83.3149.8177.4-72-166.54.400112.2F1671Q1669-F1671 PolarHBondContact O-N 3.46Å
1670P27.2Very low32.9Very low125 Ų125125.9 Ų125.981%0.81276%0.757SS**  trans-77.5103.5179.531.2-34.1000111.5V1672P1670-V1672 PolarHBondContact O-N 3.04Å
1671F26.6Very low30.5Very low188 Ų188126.5 Ų126.583%0.82576%0.759SS**  trans-82.5108.5171.9-117.8-80.7000111.5Q1669Q1669-F1671 PolarHBondContact O-N 3.46Å
1672V24.1Very low28.7Very low128 Ų128127.3 Ų127.378%0.77676%0.76SS**  trans-71127.8166.1176.50000108.8P1670P1670-V1672 PolarHBondContact O-N 3.04Å
1673V30.1Very low27.8Very low126 Ų126129.4 Ų129.476%0.76476%0.757SS**  trans-135.1115.1163.9-177.70000109.1
1674S25.3Very low27.3Very low101 Ų101128.2 Ų128.271%0.70676%0.762SS**  trans-89.2156.3161.137.60000110.3
1675S25Very low27.4Very low106 Ų106125.7 Ų125.774%0.74175%0.753SS**  trans-48156.9176.955.70000113.9
1676V27.5Very low27.2Very low138 Ų138125.7 Ų125.784%0.83675%0.748SS**  -159.7144.950.3174.60000111.9
1677G27.3Very low27.2Very low60 Ų60123.4 Ų123.462%0.61975%0.748SS**  trans109.897.8131.400000122.4
1678I28.4Very low27.4Very low153 Ų153123.7 Ų123.779%0.78574%0.74SS**  69106.3121.5-67.3165.6000120
1679T27.7Very low27.4Very low112 Ų112123 Ų12369%0.68773%0.731SS**  trans58.6144.2143.8640000121.2
1680D26.6Very low27.5Very low130 Ų130120.4 Ų120.470%0.69572%0.723SS**  cis-162.9158.8-10.1-109.5-22.9000112.4
1681T26.8Very low27.7Very low111 Ų111120.1 Ų120.168%0.68172%0.715SS**  trans23.2145.1149.466.80000122.6
1682T25.4Very low27.9Very low114 Ų114116.8 Ų116.870%0.69971%0.705SS**  cis-175.9175.1-7.128.70000108.9
1683T26.9Very low28.2Very low122 Ų122116 Ų11675%0.74870%0.697SS**  trans70.3150.2157.661.80000118.1
1684T25.6Very low28.1Very low115 Ų115115.7 Ų115.771%0.70669%0.691SS**  cis-162.5-173.5-8.117.40000110.6
1685T31.4Very low28.2Very low118 Ų118116.9 Ų116.972%0.72469%0.689SS**  trans76.2118166.158.80000116.1
1686T26.3Very low28.4Very low117 Ų117118 Ų11872%0.71869%0.687SS**  66131.558.8700000112.4
1687T29.7Very low28.4Very low119 Ų119117.9 Ų117.973%0.7368%0.682SS**  cis-162-174.28.630000108.1
1688T30.1Very low28.4Very low104 Ų104121.5 Ų121.564%0.63869%0.687SS**  cis-165.1161.617.6-8.40000109.6
1689N28.7Very low28.3Very low130 Ų130119.9 Ų119.970%0.69568%0.68SS**  trans67.9154.4147.3-68.54.1000119.1
1690N30.7Very low28.4Very low111 Ų111120.1 Ų120.159%0.59468%0.677SS**  cis-163.4158.4-8.4-117.30.6000111.9
1691N31.2Very low28.5Very low120 Ų120119 Ų11964%0.64267%0.671SS**  trans61.8156.5142.4-64.21.2000118.2
1692N30.8Very low28.6Very low117 Ų117117.6 Ų117.663%0.62666%0.659SS**  cis177.8170.9-6.6-96.5-1.1000104.1
1693N29.7Very low29Very low112 Ų112115.8 Ų115.860%0.59965%0.645SS**  cis-164162.4-9.5-113.9-3.9000109.3
1694N28.3Very low29Very low120 Ų120112.6 Ų112.664%0.64262%0.624SS**  trans58.8125137.8-64.23.1000123.3
1695N28.6Very low29.4Very low125 Ų125114.3 Ų114.367%0.66863%0.628SS**  81.9124.3122.4-63.75.5000122.3
1696N28.6Very low29.2Very low131 Ų131112.3 Ų112.370%0.70161%0.613SS**  59119126.5-58.96.2000121.2
1697N28.4Very low30Very low135 Ų135112.1 Ų112.172%0.72261%0.614SS**  57.1113.4127.1-61.115.8000119.8
1698N27.3Very low30Very low135 Ų135111 Ų11172%0.72261%0.607SS**  82.6131.6126.7-70.127.7000119.7
1699N26.4Very low30Very low119 Ų119111.8 Ų111.864%0.63661%0.608SS**  trans76.1114.7143.4-76.961.5000118.8
1700D28.2Very low30.1Very low118 Ų118113.7 Ų113.763%0.63161%0.612SS**  95.1107.6118.5-67.4-2.7000119.8
1701N28.8Very low30.1Very low106 Ų106111.7 Ų111.757%0.56762%0.618SS**  92.7133.2115.8-86.9-42.6000119.5
1702N30.2Very low30.2Very low82 Ų82113.6 Ų113.644%0.43963%0.628SS.*  trans66.8136.7147.7-59-36.3000116.4R1845N1702-R1845 HydrophobicContact CB-CG 4.35Å; N1702-R1845 VanDerWaalsContact CG-CG 3.45Å; N1702-R1845 WeakPolarHBondContact ND2-CG 3.35Å; N1702-R1845 WeakPolarHBondContact OD1-CA 3.45Å; N1702-R1845 WeakPolarHBondContact OD1-CG 3.39Å
1703N32.4Very low30Very low75 Ų75111.6 Ų111.640%0.40164%0.635SS.*  cis-171.2150.715.4-123.85.3000110.4R1845N1703-R1845 PolarHBondContact OD1-N 2.72Å; N1703-R1845 VanDerWaalsContact OD1-N 3.12Å
1704N27.9Very low30.4Very low56 Ų56111.8 Ų111.830%0.29964%0.643SS.*  trans52.9134.6131-54.7-0.5000121V1844N1704-V1844 WeakPolarHBondContact OD1-CA 3.46Å; N1704-V1844 PolarHBondContact OD1-N 2.74Å
1705N34.7Very low30.3Very low150 Ų150112.6 Ų112.680%0.80264%0.642SS**  -146.5154.654.3-80.7-57.8000114.9
1706N27.4Very low30.2Very low76 Ų76110.8 Ų110.841%0.40663%0.632SS.*  trans-82.2157.9160.8-114.919.3000109.8T1708 P1843N1706-T1708 HydrophobicContact CB-CG2 4.15Å; N1706-T1708 WeakPolarHBondContact ND2-CG2 3.04Å; N1706-P1843 HydrophobicContact CB-CG 3.86Å; N1706-P1843 VanDerWaalsContact CG-CD 3.46Å; N1706-P1843 VanDerWaalsContact OD1-CD 3.31Å; N1706-P1843 WeakPolarHBondContact OD1-CD 3.34Å
1707P41.2Very low30.1Very low113 Ų113110.3 Ų110.373%0.73463%0.63SS**  -118.4147.786.5-3.925.5000111.8
1708T30Very low30.3Very low95 Ų95109.9 Ų109.958%0.58363%0.632SS**  cis67138.944.871.80000113.9N1706N1706-T1708 HydrophobicContact CB-CG2 4.15Å; N1706-T1708 WeakPolarHBondContact ND2-CG2 3.04Å
1709N30.3Very low30.3Very low122 Ų122108.2 Ų108.265%0.65263%0.631SS**  cis-161175.911.1-133.415.4000115.3
1710E30.8Very low30.5Very low170 Ų170109 Ų10979%0.79464%0.635SS**  trans70.7148.2149.3-72.8152.1-125.800120.7
1711G31.6Very low30.5Very low69 Ų69110.9 Ų110.971%0.71164%0.644SS**  trans180-34.5176.500000119.3
1712N32.9Very low30.9Very low159 Ų159111.5 Ų111.585%0.8565%0.654SS**  trans54.3114.9170.6-62-13.5000121
1713G26.6Very low31.3Very low75 Ų75112.3 Ų112.377%0.77366%0.664SS**  93.7152.5105.700000120.1
1714P38.3Very low31.1Very low117 Ų117114.2 Ų114.276%0.7668%0.683SS**  trans-140-175-150.342.4-21.8000118.2
1715Q26.6Very low31.1Very low136 Ų136117.9 Ų117.964%0.63670%0.703SS**  trans87.5135.7144.9-92.2-169.7-36.100124.3H1859Q1715-H1859 PolarHBondContact NE2-O 2.93Å
1716L26.4Very low30.8Very low87 Ų87116.1 Ų116.146%0.45569%0.693SS.*  trans80114.7135.5-75168.6000124.9H1859 Y1860L1716-H1859 HydrophobicContact CD2-CB 4.02Å; L1716-Y1860 WeakPolarHBondContact CD2-O 3.32Å
1717N26.2Very low30.8Very low122 Ų122118.6 Ų118.665%0.65271%0.707SS**  trans74.7168.9130.6-79.77.5000123.2
1718T33.1Very low30.3Very low126 Ų126120.2 Ų120.277%0.77371%0.714SS**  trans-127.3154.8-141.353.20000114.3
1719S26Very low30.2Very low99 Ų99122 Ų12269%0.69271%0.714SS**  trans-178.5167.3134.545.10000113.6
1720N31.3Very low30.2Very low136 Ų136124.5 Ų124.573%0.72773%0.727SS**  trans94.1104.2147.3-67.3-33.1000123.6
1721L28.5Very low30Very low157 Ų157124.6 Ų124.682%0.82273%0.725SS**  trans89.4146.2138.4-84.587.8000122.2
1722P36.4Very low29.8Very low119 Ų119124.8 Ų124.877%0.77373%0.726SS**  trans-115.2-117.2-173.839-16.7000111.1
1723P38.8Very low29.8Very low99 Ų99125.1 Ų125.164%0.64373%0.726SS**  cis-131.2158.2-2.541.8-24000117.9
1724S28.5Very low29.7Very low115 Ų115130.6 Ų130.680%0.80473%0.729SS**  trans64.9166.3143.168.30000122.7
1725N28.5Very low29.2Very low133 Ų133133.2 Ų133.271%0.71174%0.735SS**  cis-171161.6-43.5-160.110.6000111.3
1726N28Very low29Very low113 Ų113131.8 Ų131.860%0.60474%0.74SS**  trans67.8122.5150-77.9-17.9000125.2
1727N26.6Very low29.7Very low129 Ų129133.2 Ų133.269%0.6976%0.755SS**  67135.7126.3-55.4-28.4000121.7
1728T30.3Very low29.7Very low146 Ų146134.2 Ų134.290%0.89677%0.766SS**  -164.617672.929.20000114.5
1729K27.6Very low29.3Very low134 Ų134137.1 Ų137.158%0.58377%0.768SS**  trans-97.4162.4-173.2-50.1160.3-174156.10112.8F1039F1039-K1729 VanDerWaalsContact CD1-NZ 3.25Å; F1039-K1729 HydrophobicContact CE2-CD 4.22Å; F1039-K1729 HydrophobicContact CZ-CD 4.16Å
1730L30.3Very low29.2Very low174 Ų174138.2 Ų138.291%0.91177%0.77SS**  trans-159.3165.7133-112.5163.9000113.7
1731K27Very low28.8Very low172 Ų172137 Ų13775%0.74877%0.773SS**  trans-92.8153.4-173.7-60.4171.6176.9174.30111.4
1732G28.8Very low28.7Very low72 Ų72133 Ų13374%0.74276%0.762SS**  trans-169.989.5173.800000118.8
1733I31.7Very low28.1Very low167 Ų167136.2 Ų136.286%0.85677%0.767SS**  trans55.1116.6141.9-54.3175.1000120.9
1734K24.6Very low27.3Very low189 Ų189136 Ų13682%0.82277%0.767SS**  trans-3.5132.9145.8-55.1172.3179.4177.20118.5
1735L27.9Very low27.1Very low172 Ų172136.8 Ų136.890%0.90177%0.767SS**  -161.6166.989.5-103.3171.9000112
1736S23.1Very low27Very low106 Ų106136.1 Ų136.174%0.74177%0.768SS**  trans-118.8178.7-164.467.70000112
1737P40.7Very low26.9Very low118 Ų118135.8 Ų135.877%0.76677%0.77SS**  trans-107.2177.5-148.341.2-37.5000114.9
1738T25.7Very low26.8Very low142 Ų142137.8 Ų137.887%0.87178%0.775SS**  trans-146.5131.7156.35.80000112.5
1739K25Very low26.6Very low188 Ų188135.1 Ų135.182%0.81776%0.762SS**  trans-75.7165.5146-65.6173.9178.4173.80108
1740T24.2Very low26.3Very low122 Ų122135.1 Ų135.175%0.74877%0.768SS**  155.3146.4115.3-60.60000110
1741S23.2Very low26.3Very low111 Ų111133.1 Ų133.178%0.77676%0.764SS**  trans63.2157.2160.446.80000119.2
1742A25Very low26.2Very low73 Ų73133.5 Ų133.560%0.60377%0.765SS**  cis-174.2164.5-28.600000108.1
1743Q24.6Very low26Very low186 Ų186139.5 Ų139.587%0.86977%0.771SS**  trans62.9163.6155.1-73.4164.80.800116.3
1744S22.1Very low25.7Very low93 Ų93141.8 Ų141.865%0.6578%0.775SS**  cis-166.4-160.6-33.157.20000106.4
1745V25.2Very low25.7Very low132 Ų132138.2 Ų138.280%0.877%0.774SS**  trans70.3126168.4174.10000114.1
1746V25.4Very low26Very low120 Ų120135.7 Ų135.773%0.72777%0.767SS**  cis-160.6162-8.294.40000111.2
1747V25.9Very low26Very low106 Ų106138.6 Ų138.664%0.64277%0.774SS**  trans0.2143143.5179.90000117
1748E24.8Very low25.2Very low171 Ų171141.4 Ų141.480%0.79977%0.774SS**  cis-152.1134.328.2-136.3137.5-138.200109.3
1749S25.4Very low25.2Very low90 Ų90140.5 Ų140.563%0.62977%0.768SS**  74.2118.581.8137.20000119.4
1750N22.6Very low25.2Very low134 Ų134138.2 Ų138.272%0.71776%0.763SS**  trans61124.3140.7-64.3-62.3000123.1
1751T30.3Very low25.2Very low132 Ų132139 Ų13981%0.8176%0.763SS**  173.6156.7109.232.30000110.2
1752K23.9Very low25.2Very low179 Ų179142 Ų14278%0.77877%0.768SS**  cis-168.6160.5-37.1-129.4178.6-172.9170.10107.2
1753K25.3Very low25.1Very low198 Ų198143 Ų14386%0.86177%0.77SS**  trans69.5120.1168.5-57.4174.7178178.40119.2
1754K24.5Very low25.2Very low216 Ų216140.4 Ų140.494%0.93977%0.768SS**  -153.4151.9108.6-110.7177.4-176.2178.60110.6
1755S24.4Very low25.3Very low114 Ų114145.4 Ų145.480%0.79778%0.781SS**  trans-127.8160.7179.8490000110.3
1756P33.9Very low25.2Very low118 Ų118144.3 Ų144.377%0.76678%0.779SS**  trans-118.1157.8-147.740.6-31.8000116.8
1757L24.3Very low25.3Very low168 Ų168144.6 Ų144.688%0.8879%0.786SS**  trans-155.8161158.6-69.5178.7000108
1758K23.7Very low25.3Very low177 Ų177145 Ų14577%0.7779%0.794SS**  cis-175.7148.5-44.5-146.9-172.2178.8-179.20106
1759V25Very low25.4Very low122 Ų122143.5 Ų143.574%0.73980%0.796SS**  trans70139.4162.7171.60000117
1760I25.3Very low25.5Very low141 Ų141144.7 Ų144.772%0.72380%0.802SS**  cis-154.8155.8-17-107.8176.3000109.5
1761N23.9Very low25.8Very low138 Ų138144.7 Ų144.774%0.73881%0.809SS**  trans12.1142.2164.9-608.5000124
1762I24.5Very low25.6Very low173 Ų173141.7 Ų141.789%0.88780%0.797SS**  trans-136.7156.9142.6-44.5177.8000108.4
1763S23Very low25.7Very low94 Ų94138.9 Ų138.966%0.65780%0.795SS**  trans-126.9154.8-175.3-58.60000110.6
1764T25.9Very low25.8Very low132 Ų132136.1 Ų136.181%0.8180%0.795SS**  cis-171.7145.7-9.322.30000107.2
1765E24.7Very low25.7Very low199 Ų199129.6 Ų129.693%0.9378%0.781SS**  trans-147.4168.2164-130.9166.5-132.200113.4
1766S23.1Very low25.9Very low109 Ų109128.5 Ų128.576%0.76278%0.779SS**  trans-77.3140.3-148.352.20000119.1
1767S27.6Very low25.3Very low126 Ų126128.3 Ų128.388%0.88178%0.781SS**  -169.9170.4118.2440000111.2
1768S24.6Very low25.4Very low115 Ų115127.7 Ų127.780%0.80478%0.777SS**  trans-113138.4-151.645.50000116.6
1769V26.8Very low25.3Very low139 Ų139125.8 Ų125.884%0.84278%0.78SS**  trans-141.9125.8161.2-178.70000109
1770P27.7Very low25.3Very low115 Ų115124.6 Ų124.675%0.74778%0.777SS**  trans-77.3162.6177.331.3-34000113.1
1771P30.6Very low25.4Very low133 Ų133125.4 Ų125.486%0.86478%0.783SS**  trans-94.4165-147.136-38000116.1
1772A25Very low25.5Very low69 Ų69124.6 Ų124.657%0.5779%0.785SS**  trans-110.2150.2166.300000111.8
1773T26.7Very low25.3Very low120 Ų120122.2 Ų122.274%0.73678%0.779SS**  trans-17.4124.5172.5-44.20000117.6
1774V26.1Very low25.4Very low140 Ų140125 Ų12585%0.84879%0.787SS**  trans-89.9112.8156.9176.90000108.9
1775A23.8Very low25.4Very low79 Ų79127.6 Ų127.665%0.65379%0.792SS**  trans-112.1113.3163.400000108
1776A27.6Very low25.2Very low91 Ų91127.3 Ų127.375%0.75279%0.788SS**  trans-92.5119.7179.300000110.1
1777S21.4Very low25.3Very low115 Ų115129 Ų12980%0.80479%0.794SS**  trans-82.7119.5174.6-62.60000110.4
1778I26.5Very low25.1Very low155 Ų155129.1 Ų129.180%0.79578%0.775SS**  trans-120.3119162.3-63-179.1000108
1779T22.6Very low25.1Very low137 Ų137129.8 Ų129.884%0.8478%0.776SS**  trans-101.9104.4-175.852.50000111.6
1780S24.7Very low25.1Very low97 Ų97129.2 Ų129.268%0.67877%0.768SS**  trans-162.7116.2164.855.50000112.3
1781N26Very low24.9Very low157 Ų157130.6 Ų130.684%0.8477%0.768SS**  trans-67.4152.4161.4-66.71.3000109.2
1782P26.4Very low24.5Very low122 Ų122128 Ų12879%0.79277%0.765SS**  -140.6162.197.938.4-26.4000114.7
1783T21.8Very low24.5Very low122 Ų122129.8 Ų129.875%0.74878%0.78SS**  trans-79.1158.5167.842.80000112.5
1784D24.8Very low24.4Very low154 Ų154127.8 Ų127.882%0.82476%0.763SS**  trans60.590.4164.6-61.5-16.3000118.8
1785M24.4Very low24.4Very low185 Ų185126.4 Ų126.491%0.91176%0.759SS**  trans-142.2137135.9-103.8-161.669.900112T1787M1785-T1787 PolarHBondContact O-N 2.79Å
1786F22Very low24.6Very low193 Ų193129 Ų12985%0.84677%0.767SS**  trans-63.5123.1-175.9-70.4-114.3000113
1787T23.8Very low24.4Very low145 Ų145129.1 Ų129.189%0.8975%0.752SS**  178.3165.111527.40000112.8M1785M1785-T1787 PolarHBondContact O-N 2.79Å
1788R23.6Very low24.6Very low129 Ų129129.5 Ų129.549%0.48774%0.744SS.*PPolyproline II helixtrans-66.8159.3-173.8-80.7-169.1-139.5139.521.5115.7S1276 L1790S1276-R1788 PolarHBondContact O-NH1 3.09Å; S1276-R1788 PolarHBondContact O-NH2 2.78Å; S1276-R1788 PolarHBondContact OG-NE 3.29Å; R1788-L1790 HydrophobicContact CB-CD1 4.24Å
1789P25.9Very low24.5Very low129 Ų129127.1 Ų127.184%0.83875%0.748SS**PPolyproline II helix-96.6157.5100-22.435.9000114.5
1790L25.9Very low24.7Very low127 Ų127130.6 Ų130.667%0.66575%0.746SS**PPolyproline II helixtrans-90.7157.5179.8-82.988.3000112.1R1788R1788-L1790 HydrophobicContact CB-CD1 4.24Å
1791L22.7Very low24.7Very low144 Ų144131.7 Ų131.775%0.75474%0.738SS**PPolyproline II helixtrans-63.4163.9155.4-81.865.5000111.2V1272V1272-L1791 HydrophobicContact CG1-CD2 3.65Å
1792G23.9Very low24.6Very low77 Ų77131.1 Ų131.179%0.79473%0.734SS**  trans112.997152.100000114.6
1793A24Very low24.6Very low107 Ų107131.1 Ų131.188%0.88473%0.727SS**  trans-114.747.3166.600000111.2
1794Q24.4Very low24.9Very low79 Ų79130.3 Ų130.337%0.36973%0.733SS.*  trans-88.8146.4162.9-74.5-172.3-20.800109.8H1295H1295-Q1794 PolarHBondContact CE1-NE2 3.46Å; H1295-Q1794 PolarHBondContact NE2-NE2 3.41Å
1795S27.3Very low24.8Very low110 Ų110128.8 Ų128.877%0.76972%0.724SS**SBendtrans75.8110.1-169-161.80000115.3
1796V26.9Very low24.7Very low135 Ų135125.6 Ų125.682%0.81872%0.72SS**  trans-85.8148.6175.3173.20000110.5D1798V1796-D1798 PolarHBondContact O-N 2.78Å; V1796-D1798 VanDerWaalsContact O-N 3.16Å
1797E24.1Very low24.9Very low93 Ų93123 Ų12344%0.43572%0.719SS.*SBendtrans74.9-37.8166-171.549.1-148.500120.6A1799 K1801E1797-A1799 PolarHBondContact O-N 3.02Å; E1797-K1801 WeakPolarHBondContact OE1-CE 3.17Å; E1797-K1801 IonicContact OE1-NZ 3.92Å; E1797-K1801 PolarHBondContact OE1-NZ 3.41Å; E1797-K1801 VanDerWaalsContact OE1-NZ 3.1Å
1798D24.6Very low24.9Very low122 Ų122119.2 Ų119.265%0.65271%0.709SS**G310 helixtrans-83.4-10.6-171.4-92.2-20.1000117V1796 R1800 K1801V1796-D1798 PolarHBondContact O-N 2.78Å; V1796-D1798 VanDerWaalsContact O-N 3.16Å; D1798-R1800 VanDerWaalsContact C-N 3.34Å; D1798-R1800 PolarHBondContact O-N 2.99Å; D1798-K1801 IonicContact OD1-NZ 2.77Å; D1798-K1801 PolarHBondContact OD1-NZ 3.38Å
1799A24Very low24.9Very low106 Ų106118 Ų11888%0.87672%0.72SS**G310 helixtrans-79.6-1.7-178.200000115.9E1797E1797-A1799 PolarHBondContact O-N 3.02Å
1800R27.5Very low24.8Very low210 Ų210120.7 Ų120.779%0.79272%0.719SS**G310 helixtrans-100.62.6-174.8-83.9179.9169.5166.1-4115.7D1798D1798-R1800 VanDerWaalsContact C-N 3.34Å; D1798-R1800 PolarHBondContact O-N 2.99Å
1801K24.8Very low24.6Very low119 Ų119125.8 Ų125.852%0.51773%0.729SS.*SBendtrans-102.199.1-173-67.6154.4-164152.10112.1E1797 D1798E1797-K1801 WeakPolarHBondContact OE1-CE 3.17Å; E1797-K1801 IonicContact OE1-NZ 3.92Å; E1797-K1801 PolarHBondContact OE1-NZ 3.41Å; E1797-K1801 VanDerWaalsContact OE1-NZ 3.1Å; D1798-K1801 IonicContact OD1-NZ 2.77Å; D1798-K1801 PolarHBondContact OD1-NZ 3.38Å
1802L24.4Very low24.5Very low145 Ų145124.1 Ų124.176%0.75973%0.73SS**  trans77.6101.3165.8-53.7171.3000119.4
1803L26.6Very low24.5Very low123 Ų123126 Ų12664%0.64473%0.73SS**  -165.387113.2-113.2174.8000114.7Y2164L1803-Y2164 HydrophobicContact CD1-CE2 3.79Å
1804A26.9Very low24.4Very low104 Ų104128.7 Ų128.786%0.8673%0.725SS**  trans-150.988.715700000108.8
1805L22.8Very low24.3Very low123 Ų123133 Ų13364%0.64474%0.738SS**  trans-114119.6-171.5-79.1170.1000112.7
1806S23.3Very low24.1Very low117 Ų117136.9 Ų136.982%0.81874%0.735SS**  trans66.9143.715780.20000116.8
1807V26Very low24Very low139 Ų139134.8 Ų134.884%0.84272%0.719SS**  cis-143.71523.4179.40000106.7
1808G23.9Very low24.1Very low66 Ų66135.2 Ų135.268%0.6873%0.73SS**  cis143.6-169.10.300000112.2
1809S22.8Very low24Very low102 Ų102132.3 Ų132.371%0.71372%0.716SS**  trans70.395.8174.3-82.20000121
1810K23.6Very low23.9Very low187 Ų187132.8 Ų132.881%0.81370%0.699SS**  114.5119.4117.6-73.5173.1-178.2173.40120.7
1811R22.6Very low23.6Very low234 Ų234126.6 Ų126.688%0.88369%0.685SS**  trans90.178.2143.8-73.9-175.3170179.7-4121.9
1812S20.4Very low23.4Very low108 Ų108127.3 Ų127.376%0.75569%0.688SS**  61.3110.8110.264.40000122.9
1813S23.7Very low23.3Very low116 Ų116126.5 Ų126.581%0.81169%0.691SS**  trans-167.2109.3134.656.70000115.3
1814Q21.8Very low23Very low165 Ų165127 Ų12777%0.77170%0.695SS**  trans40.9120.3147.6-59.4-161.126.400124.6
1815R22.4Very low22.9Very low169 Ų169129.4 Ų129.464%0.63869%0.688SS**  93115.7124.6-77.2-179.9174.8-152.3-0.3124.2
1816R22.9Very low23Very low191 Ų191131.7 Ų131.772%0.72169%0.693SS**  95.5152.2129-79.9-174.8168.6-174.4-4.6121.3Q22Q22-R1816 HydrophobicContact CG-CG 3.65Å
1817L25.2Very low23Very low92 Ų92131.7 Ų131.748%0.48268%0.684SS.*  trans-149.2168.7-173.5-2992.9000109.6Q22 L26Q22-L1817 HydrophobicContact CB-CD1 3.89Å; L26-L1817 HydrophobicContact CD1-CB 4Å; L26-L1817 HydrophobicContact CD1-CD1 3.95Å; L26-L1817 HydrophobicContact CD1-CD2 4.03Å; L26-L1817 HydrophobicContact CD1-CG 4.21Å; L26-L1817 HydrophobicContact CD2-CB 4.25Å; L26-L1817 HydrophobicContact CD2-CD1 4.24Å; L26-L1817 HydrophobicContact CG-CD1 4.1Å
1818P25.5Very low22.9Very low101 Ų101132.8 Ų132.866%0.65667%0.674SS**  trans-112.4146.4147.736.6-26.5000110.3
1819V23Very low23Very low61 Ų61133.6 Ų133.637%0.3766%0.663SS.*  cis67.3112.147-168.50000113.8L26 T1821L26-V1819 HydrophobicContact CD2-CB 4.41Å; L26-V1819 HydrophobicContact CD2-CG2 3.31Å; V1819-T1821 HydrophobicContact CG1-CG2 3.83Å
1820F22.7Very low23.1Very low116 Ų116134.1 Ų134.151%0.50966%0.658SS.*  trans-100.9141145.9-83-110000108.6E4E4-F1820 HydrophobicContact CG-CB 4.48Å; E4-F1820 HydrophobicContact CG-CD2 3.51Å; E4-F1820 HydrophobicContact CG-CE2 3.74Å; E4-F1820 HydrophobicContact CG-CG 3.99Å; E4-F1820 HydrophobicContact CG-CZ 4.4Å; E4-F1820 WeakPolarHBondContact OE1-CD1 3.25Å; E4-F1820 WeakPolarHBondContact OE1-CE1 3.36Å; E4-F1820 WeakPolarHBondContact OE2-CB 3.24Å; E4-F1820 VanDerWaalsContact OE2-CG 3.27Å; E4-F1820 WeakPolarHBondContact OE2-CG 3.22Å
1821T21.5Very low23.1Very low80 Ų80129.8 Ų129.849%0.49165%0.647SS.*  trans-154.8145.8171.736.70000108.3G29 T33 V1819G29-T1821 WeakPolarHBondContact O-CG2 3.18Å; T33-T1821 HydrophobicContact CG2-CG2 3.92Å; V1819-T1821 HydrophobicContact CG1-CG2 3.83Å
1822F19.7Very low23.3Very low134 Ų134125.7 Ų125.759%0.58864%0.637SS**  trans-49.9143.4170-76.1-90.7000111.9T33 N1824T33-F1822 HydrophobicContact CG2-CD2 4.31Å; F1822-N1824 PolarHBondContact O-N 2.83Å; F1822-N1824 VanDerWaalsContact O-N 3.1Å
1823P22.6Very low23.6Very low128 Ų128125.7 Ų125.783%0.83163%0.629SS**SBendtrans-71.7102.5166.530.6-32000109.2
1824N21Very low23.7Very low133 Ų133126.4 Ų126.471%0.71163%0.628SS**SBendtrans-14898.5150.3-148.5-28.2000109.4F1822F1822-N1824 PolarHBondContact O-N 2.83Å; F1822-N1824 VanDerWaalsContact O-N 3.1Å
1825H23.7Very low24.1Very low155 Ų155122.3 Ų122.372%0.71862%0.622SS**  trans52129.5-165.8-64.1-82.9000116.4
1826F25.1Very low24.1Very low172 Ų172122.7 Ų122.775%0.75463%0.632SS**  -156121.697.5-109.1-68.5000112.9
1827D22.4Very low24.3Very low116 Ų116117.9 Ų117.962%0.6263%0.627SS**  trans-49.8-179.6152.2-167.3-0.9000111.8
1828Y25.1Very low24.4Very low162 Ų162119.7 Ų119.764%0.63564%0.637SS**  trans80.3114.2164.1-67.4-55.3000118.2
1829N25.3Very low24.6Very low84 Ų84122.5 Ų122.545%0.44964%0.639SS.*  157.114162-123.6-23.4000113.4K1663K1663-N1829 WeakPolarHBondContact CE-O 3.32Å; K1663-N1829 PolarHBondContact NZ-O 2.92Å
1830N24.7Very low24.9Very low113 Ų113126.6 Ų126.660%0.60466%0.657SS**  trans60.4146.7133.7-70.3-9.4000122.3
1831T24.8Very low25Very low95 Ų95127 Ų12758%0.58367%0.669SS**  cis-162.2158.4-4.8130000113.6
1832H25.3Very low25.5Very low149 Ų149126.7 Ų126.769%0.6967%0.67SS**  trans51.8134.4144.5-67.2-45.5000120.3
1833N27.5Very low25.8Very low107 Ų107123 Ų12357%0.57266%0.659SS**  -169.1127.380.6-96-81.8000112.9K1666K1666-N1833 PolarHBondContact NZ-ND2 2.8Å
1834V25.7Very low26.3Very low131 Ų131121.7 Ų121.779%0.79465%0.649SS**  56.8132.5129.3179.70000118.3
1835A29.4Very low26.5Very low79 Ų79123.3 Ų123.365%0.65365%0.645SS**  cis-130153.49.400000109.7
1836Q24.1Very low27.1Very low178 Ų178120 Ų12083%0.83264%0.637SS**  50.9100.661.6-96.2-166200115.4
1837S27Very low27.3Very low89 Ų89122 Ų12262%0.62264%0.642SS**  -155127.9124.451.80000106.3
1838L26.3Very low27.5Very low131 Ų131121.5 Ų121.569%0.68665%0.653SS**  59.2146.571-54.7163.6000109.7
1839F30.5Very low27.5Very low159 Ų159117.3 Ų117.370%0.69766%0.66SS**  cis-142.8-157.939.5-68.9-88.2000108.3
1840I29.1Very low27.6Very low148 Ų148122.1 Ų122.176%0.75968%0.683SS**SBendcis-148.2140.514.3-32160.5000104
1841T24.6Very low27.5Very low124 Ų124119.8 Ų119.876%0.76169%0.685SS**  cis-134.5127.742.570.50000111.2
1842S30.7Very low27.4Very low74 Ų74125.8 Ų125.852%0.51770%0.704SS.*  80.3175.495.1-51.80000111.2
1843P27.1Very low27.3Very low55 Ų55122.1 Ų122.136%0.35771%0.706SS.*  trans-80.9-173.8-170.433.9-33.7000112.2N1706N1706-P1843 HydrophobicContact CB-CG 3.86Å; N1706-P1843 VanDerWaalsContact CG-CD 3.46Å; N1706-P1843 VanDerWaalsContact OD1-CD 3.31Å; N1706-P1843 WeakPolarHBondContact OD1-CD 3.34Å
1844V33.7Very low27.1Very low102 Ų102125.7 Ų125.762%0.61872%0.719SS**  trans107135.8170.9-169.40000115.7N1704N1704-V1844 WeakPolarHBondContact OD1-CA 3.46Å; N1704-V1844 PolarHBondContact OD1-N 2.74Å
1845R24.3Very low26.9Very low167 Ų167126 Ų12663%0.6372%0.716SS**  trans-12.2159142.8-92.4-179-176.2-179.30.5117.2N1702 N1703N1702-R1845 HydrophobicContact CB-CG 4.35Å; N1702-R1845 VanDerWaalsContact CG-CG 3.45Å; N1702-R1845 WeakPolarHBondContact ND2-CG 3.35Å; N1702-R1845 WeakPolarHBondContact OD1-CA 3.45Å; N1702-R1845 WeakPolarHBondContact OD1-CG 3.39Å; N1703-R1845 PolarHBondContact OD1-N 2.72Å; N1703-R1845 VanDerWaalsContact OD1-N 3.12Å
1846P36.6Very low26.6Very low84 Ų84131.5 Ų131.555%0.54573%0.725SS.*  trans-111.8-174.6-136.129.8-13.2000115.3
1847Y28Very low26.6Very low216 Ų216127.9 Ų127.985%0.84772%0.719SS**  trans114.4106.8157.1-76.4-83000119.7
1848A26.8Very low26.5Very low104 Ų104130 Ų13086%0.8672%0.72SS**  58.7139.1123.400000123.7
1849G26.1Very low26.6Very low75 Ų75128.3 Ų128.377%0.77371%0.708SS**  trans178.1152.1165.300000112.9
1850I26.3Very low26.3Very low185 Ų185128 Ų12895%0.94970%0.703SS**  trans-147.2137.2-177.7-60.7175.5000110.8
1851G23Very low26.3Very low63 Ų63126.7 Ų126.765%0.64970%0.698SS**  trans136.4133.7151.400000119.6
1852F23.7Very low26.3Very low221 Ų221127.1 Ų127.197%0.96970%0.695SS**  trans37.7124.3151.4-73.1-90000123.3
1853G22.2Very low26.1Very low72 Ų72127.9 Ų127.974%0.74270%0.701SS**  114.4116.3116.900000122.3
1854H23Very low26.1Very low183 Ų183132.2 Ų132.285%0.84772%0.721SS**  trans74.4130.9141.7-95.420.6000124.5
1855L22.4Very low25.8Very low138 Ų138133.3 Ų133.372%0.72373%0.728SS**  trans83115.8139.3-66.1165.6000124.3
1856K22.9Very low25.8Very low194 Ų194130.8 Ų130.884%0.84374%0.736SS**  trans79.7121.8132.4-78.3-168174-163.20124.9
1857S24.3Very low25.1Very low101 Ų101131.8 Ų131.871%0.70675%0.745SS**  93.788.4119-1670000124
1858Q25.7Very low24.9Very low135 Ų135125.9 Ų125.963%0.63174%0.735SS**  65.2146119.3-106.6176.4-4.600126.8
1859H26.7Very low24.7Very low95 Ų95129.4 Ų129.444%0.4474%0.737SS.*  trans81115.9153.8-65.5-55.5000124.8Q1715 L1716Q1715-H1859 PolarHBondContact NE2-O 2.93Å; L1716-H1859 HydrophobicContact CD2-CB 4.02Å
1860Y25.6Very low24.6Very low152 Ų152129.3 Ų129.360%0.59674%0.736SS**  28153.6123.2-71.6-87.2000121.1L1716L1716-Y1860 WeakPolarHBondContact CD2-O 3.32Å
1861N27.8Very low24.5Very low121 Ų121126 Ų12665%0.64773%0.729SS**  cis-158.5-176.719.4-138.1-40.8000108.1
1862N25.4Very low24.5Very low132 Ų132127.9 Ų127.971%0.70673%0.733SS**  cis-165.9178.810-154.6-58.6000111.1
1863S25.6Very low24.6Very low91 Ų91126 Ų12664%0.63672%0.72SS**  trans107.9132.6147.779.90000122.1
1864N27.3Very low24.7Very low145 Ų145130.9 Ų130.978%0.77572%0.724SS**  trans86.6116153.8-66.5-31.4000122.9
1865V28.1Very low24.7Very low126 Ų126127 Ų12776%0.76471%0.713SS**  trans64.391.1139.8-176.70000116.1
1866S24.7Very low24.8Very low114 Ų114126.8 Ų126.880%0.79771%0.713SS**  cis103.5149.647.570.80000113.6
1867S22.4Very low25Very low105 Ų105124 Ų12473%0.73471%0.707SS**  trans-103.8168-160.450.70000116.5
1868S22.2Very low25Very low92 Ų92124.7 Ų124.764%0.64370%0.703SS**  trans49.3125.2144.162.50000122.5
1869I22.7Very low25Very low177 Ų177123.9 Ų123.991%0.90871%0.707SS**  trans55.1118133.3-53.3171.4000118.6
1870G23.7Very low25Very low73 Ų73125.5 Ų125.575%0.75372%0.718SS**  trans-166.8148.3161.100000112.3
1871S24.6Very low25.1Very low115 Ų115124.7 Ų124.780%0.80472%0.721SS**  trans-134139.5179-70.80000112.1
1872S23.7Very low25Very low103 Ų103125.7 Ų125.772%0.7272%0.722SS**  trans66.1120.9164.6-51.80000118
1873Y25.4Very low25.1Very low182 Ų182127 Ų12771%0.71473%0.725SS**  -173.9166.397.7-106.3-77.5000113.4
1874Q23.8Very low25.1Very low174 Ų174127.4 Ų127.481%0.81373%0.729SS**  trans-91.5172.5174.1-83-160.6-11.400110.8
1875V24.5Very low25.1Very low102 Ų102126.6 Ų126.662%0.61872%0.724SS**  cis-167.6157.3-6.2126.10000109.3
1876N23.6Very low25Very low134 Ų134126.7 Ų126.772%0.71772%0.72SS**  trans60.5135166.5-73.2-11.7000117.5
1877N26.8Very low25.1Very low135 Ų135126 Ų12672%0.72272%0.715SS**  -152.6134.954.5-118.8-27.2000114.7
1878N25.8Very low25.4Very low116 Ų116127.2 Ų127.262%0.6272%0.718SS**  trans42.3104.3130.1-82.9-50.9000122
1879T25Very low25.6Very low117 Ų117127.9 Ų127.972%0.71872%0.723SS**  69.716912264.40000119
1880I26.2Very low25.7Very low130 Ų130128.8 Ų128.867%0.66772%0.721SS**  cis-156.3173.218.5-148.1160.4000113.4
1881M27.7Very low26.2Very low135 Ų135130.4 Ų130.467%0.66572%0.718SS**  trans68.6146.2166.9-85.819.4155.800117.7
1882Q26.8Very low26Very low142 Ų142130 Ų13066%0.66472%0.715SS**  cis-174.7162.2-22.8-123.9-179.910.300106.1
1883M25.8Very low26Very low158 Ų158130 Ų13078%0.77872%0.715SS**  cis-141.3167.26-62.5-171.2-176.700106.6
1884S26.5Very low26Very low101 Ų101127.1 Ų127.171%0.70672%0.716SS**  cis-163.3-159-10.948.70000106
1885N27.4Very low26.1Very low127 Ų127124.5 Ų124.568%0.67971%0.712SS**  cis-160.2164.57.6-145-10.7000113.8
1886N26Very low26.1Very low129 Ų129126.9 Ų126.969%0.6972%0.722SS**  trans31.5115.7152.4-72.2-15.7000124
1887S26.7Very low26.2Very low99 Ų99124.6 Ų124.669%0.69272%0.722SS**  105.9121.8110.970.40000122.6
1888T28.4Very low26Very low130 Ų130124 Ų12480%0.79872%0.723SS**  trans63.7147.6137.752.40000122.1
1889S27.3Very low26Very low106 Ų106126.2 Ų126.274%0.74173%0.733SS**  cis-169.4153.1-20500000113.3
1890K24.5Very low26.1Very low197 Ų197125.1 Ų125.186%0.85773%0.73SS**  trans-18.1166.4155.9-67178-179.6177.70119.3
1891P33Very low26Very low107 Ų107125.4 Ų125.470%0.69574%0.738SS**  cis-147.7178.8-33.941.9-23.8000117
1892S22Very low25.9Very low106 Ų106124.2 Ų124.274%0.74174%0.742SS**  trans86142140.6750000124.2
1893S23.9Very low25.9Very low104 Ų104122.4 Ų122.473%0.72775%0.745SS**  trans90.5125.7153.772.40000122.7
1894T25.1Very low25.9Very low120 Ų120122 Ų12274%0.73675%0.746SS**  trans66.6119.4145.741.10000124.4
1895T25.1Very low25.9Very low119 Ų119125.4 Ų125.473%0.7375%0.75SS**  trans68.3117.8137.554.40000123.1
1896N24.9Very low25.7Very low153 Ų153125.8 Ų125.882%0.81875%0.752SS**  trans59.5105.2133.3-64.78.2000121.8
1897A25.3Very low25.7Very low86 Ų86126.5 Ų126.571%0.71175%0.75SS**  89.7139.3113.900000122.1
1898T23.8Very low25.7Very low121 Ų121128.4 Ų128.474%0.74275%0.748SS**  trans75.2117.2145.840.50000122.4
1899I24.9Very low25.6Very low163 Ų163128.6 Ų128.684%0.83674%0.74SS**  trans88.7140.8135.8-64.7165.9000117.8
1900S27Very low25.6Very low94 Ų94130.4 Ų130.466%0.65774%0.736SS**  trans-93.2159.6-174.554.50000113.2
1901T24.8Very low25.7Very low137 Ų137130.5 Ų130.584%0.8473%0.732SS**  -167.2172.6119.913.10000113.4
1902C24.5Very low25.3Very low110 Ų110129.3 Ų129.374%0.74373%0.727SS**  trans-47.3144.2-171.1-53.30000119.6
1903S26.5Very low25.6Very low103 Ų103133.1 Ų133.172%0.7273%0.732SS**  56.8118.8126.9-51.80000122.7
1904N26.3Very low25.7Very low151 Ų151131.5 Ų131.581%0.80773%0.726SS**  trans55.6100.7138.5-61.6-1.1000120.8
1905H26.6Very low25.7Very low171 Ų171133.9 Ų133.979%0.79273%0.728SS**  trans50.8111.8147.2-79.2-73.4000121.6
1906L23.9Very low25.7Very low135 Ų135135 Ų13571%0.70773%0.729SS**  trans28126.2147.7-64.787000118.8
1907H25.2Very low25.7Very low144 Ų144133.7 Ų133.767%0.66772%0.72SS**  -166.6157.264.8-115.8-87.4000114.3
1908H26.2Very low25.8Very low140 Ų140139.6 Ų139.665%0.64873%0.725SS**  trans72.1117.5151.7-72.7-57.5000124.9
1909H26.3Very low26.2Very low133 Ų133139 Ų13962%0.61672%0.723SS**  trans80103.1132-69.3-56.5000125.4
1910H27.1Very low26.1Very low144 Ų144139.4 Ų139.467%0.66772%0.722SS**  95.2123110.9-76.7-13.3000124.9
1911Y27.1Very low26.6Very low199 Ų199139.2 Ų139.278%0.7872%0.719SS**  trans63.1151.7138-78-112000120.5
1912S25.4Very low26.6Very low82 Ų82138.2 Ų138.257%0.57371%0.712SS**  cis178.9158.5-18.755.40000113.8
1913H27Very low26.5Very low186 Ų186143.5 Ų143.586%0.86172%0.717SS**  trans67.6161.3149.2-82.9-138.2000119.9
1914A27.1Very low26.3Very low71 Ų71142.8 Ų142.859%0.58771%0.711SS**  cis-170.8143.5-25.300000115.3
1915Q24.3Very low26.3Very low170 Ų170146 Ų14679%0.79471%0.713SS**  trans59.5167.5134.7-68.5-164-15.600126.6
1916I26.6Very low26Very low143 Ų143142.3 Ų142.373%0.73371%0.707SS**  trans83.4117.3164.2-44.4-176.6000116.2
1917I25Very low26Very low124 Ų124142.1 Ų142.164%0.63671%0.711SS**  cis113.8142.44.3-54.9161.4000114.8
1918Y25.7Very low26.5Very low210 Ų210140.2 Ų140.282%0.82471%0.712SS**  trans96152.6171.8-64.7-78.7000118.2
1919P33.7Very low26.4Very low108 Ų108141.6 Ų141.670%0.70172%0.722SS**  -143.2161.2-55.138.8-20.7000118.9
1920Q23Very low26.3Very low172 Ų172138.3 Ų138.380%0.80472%0.724SS**  5.4172.4126.4-73.5-74.8-7.800121.6
1921P35.9Very low26.1Very low91 Ų91137.7 Ų137.759%0.59173%0.73SS**  cis-146.4-167.6-6.632.8-7.4000118.4
1922T24.5Very low25.8Very low115 Ų115134.3 Ų134.371%0.70674%0.736SS**  trans76151.3145.154.30000121.6
1923R23.9Very low25.7Very low221 Ų221134.1 Ų134.183%0.83475%0.746SS**  cis-163.6146.1-3.1-122.4-179.1179.6177.20.2116.4
1924C21.4Very low25.5Very low89 Ų89130.3 Ų130.360%0.60174%0.741SS**  trans66.8155.9135.3-77.40000127.1
1925Y25.9Very low25.2Very low219 Ų219136 Ų13686%0.85975%0.752SS**  trans77.3157.3163.7-53.6-67.6000119.7
1926S21.6Very low25.1Very low93 Ų93132.9 Ų132.965%0.6575%0.75SS**  -177.2131.9-70.950.50000112.7
1927T23Very low25Very low131 Ų131133 Ų13380%0.80475%0.751SS**  trans2.7159.714850.60000122.3
1928P36.6Very low24.9Very low104 Ų104133.6 Ų133.668%0.67576%0.755SS**  cis-147-160.4-10.533.6-7.7000116.2
1929I23.3Very low24.8Very low169 Ų169129.9 Ų129.987%0.86775%0.748SS**  trans82.2145.6159.6-59.4157.1000117.6
1930G23.9Very low24.2Very low63 Ų63132.1 Ų132.165%0.64975%0.749SS**  trans169.8-7.4167.400000125.5
1931T22.9Very low24.3Very low131 Ų131129.8 Ų129.880%0.80474%0.742SS**  trans40.7122.6166.252.30000123.5
1932S22Very low23.6Very low129 Ų129131.9 Ų131.990%0.90275%0.748SS**  trans72160.9143.778.70000121
1933G22.9Very low23.6Very low77 Ų77132.6 Ų132.679%0.79475%0.746SS**  trans140.361.9166.100000118.9
1934S22.6Very low23.9Very low107 Ų107128.4 Ų128.475%0.74875%0.747SS**  trans-42.7147.7178.455.90000120.8
1935K21.3Very low24.2Very low190 Ų190130.4 Ų130.483%0.82675%0.751SS**  trans73.5106.2143.8-72.9176.1179.7-179.60121.6
1936S22.5Very low24.4Very low105 Ų105125.1 Ų125.173%0.73474%0.743SS**  90.6155.3116.878.20000122.3
1937L22.7Very low24.9Very low145 Ų145126.1 Ų126.176%0.75975%0.75SS**  trans7998.7161.5-57.4-179.3000120.9
1938L23.3Very low24.9Very low137 Ų137129.9 Ų129.972%0.71775%0.749SS**  92.5138.9116.4-71.6173.7000122.7
1939L23Very low24.3Very low132 Ų132130.6 Ų130.669%0.69175%0.747SS**  trans66.9104.6142.5-74.1160.1000120.1
1940H21.5Very low24.3Very low154 Ų154126.2 Ų126.271%0.71374%0.736SS**  56.4115.3119.6-91.5-112.1000119.2
1941N24.7Very low24.6Very low123 Ų123130.1 Ų130.166%0.65875%0.748SS**  -175.9149.479.8-98.7-40.3000115.3
1942L22.7Very low24.6Very low135 Ų135127.4 Ų127.471%0.70773%0.728SS**  trans48.2116.5140.6-60167.5000121.5
1943I24.2Very low24.6Very low131 Ų131127.6 Ų127.667%0.67272%0.716SS**  trans69.7113.5135-59.9169.6000116.3
1944P30.5Very low24.7Very low132 Ų132131.7 Ų131.786%0.85771%0.712SS**  -135.5108100.735.8-24.7000115.7
1945I27.5Very low24.7Very low132 Ų132131.8 Ų131.868%0.67770%0.704SS**  -74151.2124.84.6177.1000105.7
1946P28.8Very low24.8Very low107 Ų107128.7 Ų128.770%0.69571%0.707SS**  cis-148.6145.325.839.3-18000119.4
1947S32.7Very low25Very low115 Ų115126.9 Ų126.980%0.80471%0.705SS**  trans178.310913652.80000108.6
1948R23.2Very low25Very low209 Ų209127.4 Ų127.479%0.78971%0.708SS**  cis64.4110.211.9-134.1-171-164.4-133.63.2115.8
1949L23.2Very low25Very low120 Ų120125.2 Ų125.263%0.62870%0.704SS**  trans72.3161.6151.6-81.2160.3000119.7
1950A24Very low24.9Very low76 Ų76126.2 Ų126.263%0.62871%0.71SS**  trans74.6138.517200000117.9N1952A1950-N1952 HydrophobicContact CB-CB 3.8Å
1951T30.4Very low25Very low146 Ų146123.2 Ų123.290%0.89671%0.707SS**SBendcis-79.1115.3-4.648.10000110.8
1952N23.4Very low25Very low74 Ų74123.3 Ų123.340%0.39671%0.712SS.*  cis50.5120.639.4-91-11.3000114.6A1950A1950-N1952 HydrophobicContact CB-CB 3.8Å
1953M22.5Very low25Very low132 Ų132121.6 Ų121.665%0.6571%0.711SS**  trans74.7168.1131.3-65.7175172.700115.1
1954K24.1Very low25Very low164 Ų164121.6 Ų121.671%0.71371%0.713SS**  cis-149.1145.623.5-151.8137.3-166.4176.70117.1
1955D22.2Very low24.6Very low109 Ų109122.1 Ų122.158%0.58370%0.704SS**  trans3.8138.3147-33.5-24.1000117.4
1956S24.4Very low24.5Very low125 Ų125121.5 Ų121.587%0.87470%0.699SS**  -179.2166.7100.945.70000112.8
1957G26.3Very low24.4Very low67 Ų67126.3 Ų126.369%0.69171%0.705SS**  trans94.1101.3147.600000114.2
1958N22.3Very low24.1Very low156 Ų156124.1 Ų124.183%0.83469%0.694SS**  7014760.7-163.726.9000113.6
1959S23.8Very low24.1Very low91 Ų91122.5 Ų122.564%0.63670%0.698SS**  trans53.5101.2170.450.90000117.6
1960N21.4Very low24Very low152 Ų152124.6 Ų124.681%0.81371%0.709SS**  41.7101.9115.1-71.99.5000118.5
1961S22.7Very low24.3Very low92 Ų92125.6 Ų125.664%0.64371%0.708SS**  62.9130.8115.170.50000120.7
1962T23.8Very low23.9Very low124 Ų124124.3 Ų124.376%0.76170%0.696SS**  trans56.2118.4138.758.20000118.5
1963S22.7Very low23.8Very low100 Ų100127 Ų12770%0.69971%0.706SS**  179150.192.4-77.70000112
1964N24.3Very low23.9Very low130 Ų130130.7 Ų130.770%0.69571%0.713SS**  -159.8114.7113.5-90.5-28.2000108.3
1965Q23.5Very low23.8Very low143 Ų143129.7 Ų129.767%0.66872%0.715SS**  90.5139.3106.1-71.3174.721.300112
1966M24.7Very low24.1Very low120 Ų120129.6 Ų129.659%0.59172%0.721SS**  cis-159.7158.51.1-129.8-179.6-42.400111.2
1967Y26.4Very low23.9Very low207 Ų207128.2 Ų128.281%0.81271%0.711SS**  trans63.9153.3162.5-63.4-53.9000117.6
1968A26Very low23.8Very low70 Ų70132.6 Ų132.658%0.57971%0.713SS**  cis-162.5158.1-18.700000110.4
1969M24.2Very low23.8Very low174 Ų174131 Ų13186%0.85770%0.704SS**  trans46116.3148.4-60.4168.9-169.200118.7
1970L21.2Very low23.8Very low165 Ų165132.7 Ų132.786%0.86470%0.702SS**  40.7143.979.4-76.9168.2000114.9
1971P29.7Very low24Very low96 Ų96131.6 Ų131.662%0.62369%0.692SS**  cis-142-166.713.338.6-16.7000115.8
1972N21.6Very low24.1Very low120 Ų120133 Ų13364%0.64269%0.688SS**  trans69.4124.2141.1-80.9-30.4000122.4
1973Q22.6Very low24.2Very low129 Ų129133.2 Ų133.260%0.60368%0.681SS**  trans66.7153.8131.6-57.5172.937.300116.9
1974R23.6Very low24.5Very low210 Ų210135.2 Ų135.279%0.79268%0.679SS**  cis-156.6154.78.2-147.2175.8-84.8173.3-7.3109.1
1975D21.8Very low24.6Very low143 Ų143134 Ų13477%0.76568%0.68SS**  trans-56.7159151.5-68.7-72.7000110.3
1976P28.8Very low24.8Very low108 Ų108133.4 Ų133.470%0.70168%0.681SS**  cis-152.6177.134.844.3-23.4000119
1977S21.3Very low24.9Very low96 Ų96133.8 Ų133.867%0.67168%0.684SS**  trans40.5139.9136.173.90000123.4
1978H24Very low25Very low158 Ų158131.2 Ų131.273%0.73168%0.679SS**  trans77.6140.4138.1-110.6-133.5000119.5
1979L21.4Very low25Very low122 Ų122134 Ų13464%0.63968%0.68SS**  trans44.9139134.4-95.161.8000120.2
1980H24.9Very low25.1Very low127 Ų127133 Ų13359%0.58867%0.673SS**  cis-172.7155.72.5-147.120.4000110
1981Q24.7Very low25.2Very low130 Ų130133 Ų13361%0.60767%0.669SS**  trans62.5179.6137.4-88.7178.9-5.200117.7
1982Q25.5Very low24.9Very low120 Ų120133.8 Ų133.856%0.56167%0.672SS**  cis-149.3149.22.2-138.7163.44.400113.5
1983Q25.9Very low24.9Very low130 Ų130133.7 Ų133.761%0.60768%0.681SS**  trans59.7167.2141.6-87.6157.5-2.700120
1984H28.3Very low24.9Very low141 Ų141132.4 Ų132.465%0.65369%0.692SS**  cis-134158.2-6.1-115.4-64.7000105.9
1985S27.1Very low24.9Very low104 Ų104127.8 Ų127.873%0.72769%0.692SS**  cis-162.3-176.313.861.90000106.9
1986L26.8Very low25.7Very low131 Ų131126.8 Ų126.869%0.68669%0.693SS**  cis-168.8164.3-25.1-121.365000104.5
1987I27.3Very low25.8Very low129 Ų129127 Ų12766%0.66270%0.695SS**  cis-162.8150.6-3.7-166.6163.6000109.4
1988H27.8Very low25.9Very low153 Ų153128.8 Ų128.871%0.70870%0.697SS**  trans62.9157161.7-89.7-134.7000119.7
1989H27.4Very low25.9Very low127 Ų127127.1 Ų127.159%0.58869%0.693SS**  cis-167.9150.3-29.6-142.937.2000111.6
1990Q25.6Very low26Very low154 Ų154132.7 Ų132.772%0.7271%0.706SS**  trans51.5-178154.2-71.5175.2-1.100120.5
1991Q23.1Very low25.9Very low164 Ų164129.7 Ų129.777%0.76671%0.709SS**  -177.6146.9-72.7-113.5-174.3-21.500109.5
1992T22.7Very low25.9Very low114 Ų114132.5 Ų132.570%0.69972%0.722SS**  trans61.4106.9151.155.10000123.8
1993S22.1Very low25.8Very low117 Ų117130.7 Ų130.782%0.81872%0.723SS**  77.6157.4122.373.10000123.9
1994A22.8Very low25.7Very low102 Ų102129.8 Ų129.884%0.84373%0.727SS**  trans87.6163.4170.400000118.7
1995S23.1Very low25.5Very low113 Ų113129.2 Ų129.279%0.7973%0.726SS**  trans-124.3-178.9-168.3-390000110.4
1996P39.7Very low25.4Very low122 Ų122131.5 Ų131.579%0.79272%0.723SS**  cis-108.7-139.7-31.136.8-17.4000107.9
1997P31.4Very low25.6Very low112 Ų112131.5 Ų131.573%0.72772%0.719SS**  cis-133.9-164-1642.8-23.1000115.2
1998D23.3Very low25.4Very low134 Ų134130.9 Ų130.972%0.71771%0.713SS**  trans9.3127.7157.8-92.3-66.8000124.8
1999N23.5Very low25.6Very low123 Ų123132.2 Ų132.266%0.65871%0.713SS**  trans53119.3131.1-91.6-70.8000123.6
2000R22.5Very low25.7Very low240 Ų240134.5 Ų134.591%0.90672%0.722SS**  trans72.7151.5140.3-68.8173.6176-164.2-2.7120.5
2001G24.3Very low25.9Very low64 Ų64131.4 Ų131.466%0.6672%0.717SS**  trans105.7110.217700000110.4
2002Q23.2Very low26.2Very low188 Ų188131.7 Ų131.788%0.87972%0.718SS**  57.2137.458.4-52.2-174.6-5.300111.5
2003S23.1Very low26.5Very low83 Ų83130.1 Ų130.158%0.5872%0.717SS**  cis-167.6144.126.4-145.50000114.2
2004T24.1Very low26.6Very low111 Ų111129.8 Ų129.868%0.68171%0.71SS**  trans68.6170.6136.3590000120.1
2005M24.1Very low26.6Very low128 Ų128130.9 Ų130.963%0.63170%0.702SS**  cis-156.1152.612.2-138.4169.3-117.800113.7
2006K25.3Very low26.6Very low153 Ų153131.7 Ų131.767%0.66569%0.693SS**  trans69.2162.4144.7-82.7158.6-178.81720118.4
2007H30.8Very low26.6Very low131 Ų131134 Ų13461%0.60670%0.699SS**  cis-151.1168.71.2-123.7-30.6000107.8
2008Q24Very low26.2Very low116 Ų116133.3 Ų133.354%0.54269%0.692SS.*  cis-161.4179.15.9-158.8139.8-1.800110.1
2009Y30.9Very low26.2Very low180 Ų180133.2 Ų133.271%0.70669%0.692SS**  trans71.9136.5169.4-54.2-63.7000116.4
2010F31Very low26.6Very low176 Ų176135 Ų13577%0.77270%0.696SS**  cis-154151.7-5-131.9-49.2000109.6
2011S29.4Very low26.7Very low88 Ų88130.6 Ų130.662%0.61569%0.686SS**  trans66.7135149.4-125.60000118.4
2012Q29.8Very low26.7Very low171 Ų171136.3 Ų136.380%0.79969%0.689SS**  cis-161.2-177.3-3.6-130.51661800109.8
2013A28.3Very low26.8Very low80 Ų80135.2 Ų135.266%0.66168%0.684SS**  trans21.2104.2154.800000117
2014T23.9Very low26.9Very low111 Ų111140 Ų14068%0.68170%0.696SS**  cis53.513336.292.70000114.8
2015N24Very low26.8Very low125 Ų125143.4 Ų143.467%0.66871%0.705SS**  trans65.1157.3156.9-60-31.6000117
2016Q23.1Very low27.1Very low130 Ų130142.2 Ų142.261%0.60771%0.707SS**  cis-148.8145.2-22.3-110.51531900104.9T2018Q2016-T2018 PolarHBondContact O-N 2.85Å; Q2016-T2018 VanDerWaalsContact O-N 3.13Å
2017N39.1Very low27.1Very low170 Ų170141.3 Ų141.391%0.90971%0.709SS**  36.547.778.8-90.914.8000115
2018T23.6Very low27.3Very low97 Ų97139.9 Ų139.960%0.59571%0.712SS**  trans-125.2128.715852.60000110.5Q2016Q2016-T2018 PolarHBondContact O-N 2.85Å; Q2016-T2018 VanDerWaalsContact O-N 3.13Å
2019N22.7Very low27.6Very low132 Ų132142.3 Ų142.371%0.70672%0.723SS**  trans33.1100.8133.1-43-28.7000114.3
2020H31.4Very low27.7Very low161 Ų161138.7 Ų138.775%0.74572%0.724SS**  -129.4121.760.1-84.6-81000112.3
2021Q25.5Very low27.5Very low148 Ų148137.7 Ų137.769%0.69273%0.726SS**  77.1104.696.8-84-174.4-35.100112.5
2022Y23.8Very low27.4Very low183 Ų183137.8 Ų137.872%0.71873%0.726SS**  84.5113.583.8-100.1-119.8000111.9Q2024Y2022-Q2024 PolarHBondContact O-N 3.26Å
2023Q24.7Very low27.2Very low166 Ų166135.8 Ų135.878%0.77672%0.721SS**  46.974.4127.6-58.7-178.7-16.200116.7
2024Q26.1Very low27.1Very low182 Ų182140.1 Ų140.185%0.8573%0.725SS**  trans-120.594.8140.2-68.6-162.715.900110.2Y2022Y2022-Q2024 PolarHBondContact O-N 3.26Å
2025Q22.3Very low27.2Very low183 Ų183142.2 Ų142.286%0.85573%0.731SS**  trans-58.8143.4130.7-63.1173.1-10.300106.4
2026P29.8Very low27.2Very low104 Ų104139.9 Ų139.968%0.67574%0.737SS**  cis-115.6175.441.343.1-33.6000112.7
2027N25.5Very low27.4Very low133 Ų133139.1 Ų139.171%0.71175%0.745SS**  cis62.7164.335-115.2-5000112.3Q2029N2027-Q2029 PolarHBondContact OD1-N 3.13Å
2028P34.3Very low26.7Very low102 Ų102141.6 Ų141.666%0.66274%0.742SS**  cis-115.9132.48.735.3-19.7000116
2029Q30.4Very low26.7Very low166 Ų166143.2 Ų143.278%0.77675%0.747SS**  trans71.9151.8143.4-61.4167.7-5.600118N2027N2027-Q2029 PolarHBondContact OD1-N 3.13Å
2030S32.9Very low26.7Very low104 Ų104142.2 Ų142.273%0.72775%0.745SS**  cis-128.3133.68.550.10000114.2
2031L27.7Very low26.6Very low155 Ų155142.6 Ų142.681%0.81275%0.752SS**  trans26.6143.5133.2-56.8168.6000120.4
2032S27.7Very low26.6Very low90 Ų90142.1 Ų142.163%0.62975%0.754SS**  cis-174.3154.7-12.250.10000112.3
2033N24.8Very low27.2Very low129 Ų129138.2 Ų138.269%0.6975%0.751SS**  trans-4.3147.1144.6-48.2-14.3000118.5
2034F26.4Very low27.3Very low171 Ų171136.8 Ų136.875%0.7575%0.749SS**  -177129.791.9-107.6-85.4000114.8
2035I24.8Very low27.5Very low156 Ų156134.4 Ų134.480%0.875%0.747SS**  trans26.3138142.7-61-178.2000121
2036G25.7Very low27.7Very low76 Ų76130.1 Ų130.178%0.78474%0.743SS**  trans166.895.214600000116.8
2037S27.3Very low27.5Very low113 Ų113129.6 Ų129.679%0.7975%0.747SS**  trans-130.3135.2169.560.10000111.9
2038R23.6Very low27.4Very low222 Ų222129.5 Ų129.584%0.83875%0.751SS**  trans166.6143.7157.1-96.3161.3-178.7-116.4-0.6112.3
2039L23.4Very low27.2Very low132 Ų132132.4 Ų132.469%0.69176%0.76SS**  45.9142.9129.1-50.2170.9000119.4
2040T23.9Very low26.9Very low110 Ų110132.6 Ų132.668%0.67576%0.761SS**  cis-172.4170.59.56.60000112.9
2041L28.5Very low26.9Very low170 Ų170132 Ų13289%0.8975%0.754SS**  trans91.3143.7149.8-77154.6000121.4
2042N25.2Very low26.8Very low137 Ų137129.3 Ų129.373%0.73375%0.748SS**  trans-106.8-166.2177.3-144-0.6000106.9
2043P35.7Very low26.6Very low101 Ų101131 Ų13166%0.65676%0.759SS**  cis-153.5174.126.345.7-23.3000120.7
2044N27.5Very low26.7Very low136 Ų136137 Ų13773%0.72777%0.772SS**  trans82.3125.4131.4-83.96000126.3
2045T30.9Very low26.6Very low132 Ų132131.6 Ų131.681%0.8177%0.765SS**  92.8142130-58.30000120.3
2046A25.5Very low26.8Very low94 Ų94132.8 Ų132.878%0.77777%0.77SS**  trans-128.6161.4179.600000111.2
2047A26.3Very low26.7Very low92 Ų92133.6 Ų133.676%0.7676%0.764SS**  trans-174.2123.3149.300000114.5
2048V23.6Very low26.6Very low132 Ų132135.7 Ų135.780%0.877%0.766SS**  39.6123.8124.6-172.70000120.1
2049L30Very low26.9Very low162 Ų162133.7 Ų133.785%0.84877%0.766SS**  -174.8128.7120.7-98.9171000115.9
2050H23.9Very low27.1Very low171 Ų171134.9 Ų134.979%0.79277%0.768SS**  trans-29.7177.3147.3-111.4-149.2000118.2
2051P33.6Very low27.3Very low91 Ų91137.6 Ų137.659%0.59177%0.773SS**  cis-146-174.9-36.536.7-15.3000115.6
2052S24Very low27.2Very low98 Ų98137.2 Ų137.269%0.68577%0.768SS**  trans40120.8142.268.30000123.8
2053C24Very low27.3Very low125 Ų125136.4 Ų136.485%0.84577%0.769SS**  34.4102.9127.8-55.60000121.1
2054R27.4Very low26.7Very low256 Ų256137.5 Ų137.597%0.96678%0.777SS**  trans-163.4148.4138.8-97.9161.9-168-161.92.9106.4
2055G23.2Very low27.1Very low58 Ų58136.2 Ų136.260%0.59878%0.777SS**  cis119.9135.29.100000109.8
2056I29.4Very low26.8Very low180 Ų180140.5 Ų140.592%0.92378%0.779SS**  trans82.8146.3-169.3-49.4157.9000113.3
2057S24.7Very low26.6Very low93 Ų93147 Ų14765%0.6578%0.784SS**  -178.6136.4-52.1-176.20000110.1
2058L24.2Very low26.4Very low157 Ų157147.9 Ų147.982%0.82278%0.784SS**  trans52.194.5155.4-69.2169.4000121.4
2059Q30.3Very low26.5Very low181 Ų181148.2 Ų148.285%0.84679%0.787SS**  -155.6115.5124.8-105.3172.5-26.500106.7
2060Q27.5Very low26.2Very low156 Ų156148.2 Ų148.273%0.72978%0.782SS**  61.2117.689.2-73.7-166.8-7.700115.4
2061Q27.4Very low26.2Very low167 Ų167147.1 Ų147.178%0.7878%0.781SS**  trans70.6134.3163.7-56.1179.416.700115.4
2062M26.1Very low25.9Very low162 Ų162148.1 Ų148.180%0.79879%0.79SS**  cis-135.4169.43.5-67.8-166.9176.400113.4
2063T27.6Very low26Very low121 Ų121146.4 Ų146.474%0.74279%0.788SS**  trans-8.8129.2159.149.80000118.5
2064C24.4Very low26Very low123 Ų123149.9 Ų149.983%0.83179%0.792SS**  103.7151.852.6-78.70000112.7
2065P35.5Very low26Very low110 Ų110140.8 Ų140.871%0.71478%0.778SS**  trans-130.9-170.2-146.833.1-11000116.5
2066Y23.1Very low26.1Very low222 Ų222142 Ų14287%0.87178%0.783SS**  trans97123162-90.1-81.1000121.3
2067R21.7Very low26.1Very low231 Ų231143.6 Ų143.687%0.87278%0.778SS**  trans98.598.4134.6-156.5174.3-161-166.94.6120.2
2068S23.2Very low26.6Very low110 Ų110144.2 Ų144.277%0.76978%0.78SS**  trans45.7111.2132.8-177.80000120.4
2069T24.8Very low27.2Very low138 Ų138141.1 Ų141.185%0.84777%0.77SS**  trans-141.9147.1141.336.90000112.5
2070H25Very low27.2Very low162 Ų162142.6 Ų142.675%0.7577%0.769SS**  trans-15.5152.1147.5-90.6-107.1000120
2071L23.4Very low27.1Very low148 Ų148142.5 Ų142.578%0.77577%0.768SS**  trans71.5160139.9-74.4163.7000120.1
2072S27Very low26.9Very low112 Ų112141.5 Ų141.578%0.78376%0.764SS**  trans52.3105.4157.752.80000118.2
2073G26.7Very low27.2Very low62 Ų62142.8 Ų142.864%0.63977%0.768SS**  95.3116.98400000116.7
2074E24Very low27.4Very low199 Ų199140.7 Ų140.793%0.9376%0.763SS**  26.7108119.8-55.4177.5143.400115.3
2075G26.6Very low27.8Very low65 Ų65140.8 Ų140.867%0.6776%0.76SS**  cis100.9-146.832.100000109.5
2076A26.2Very low27.6Very low84 Ų84141.4 Ų141.469%0.69476%0.761SS**  trans61.2175175.200000113.8
2077Y27.6Very low27.6Very low213 Ų213139.5 Ų139.584%0.83576%0.76SS**  cis-144.6-173.317-95.8-70.2000108.1
2078P36.2Very low28Very low106 Ų106134.5 Ų134.569%0.68876%0.761SS**  -138.6-128.4-74.543.3-20.7000110.3
2079P37Very low28.1Very low92 Ų92132.1 Ų132.160%0.59775%0.753SS**  cis-127-166.7-15.620.76.4000115.9
2080Y30.3Very low28.2Very low212 Ų212132.6 Ų132.683%0.83175%0.745SS**  trans82104.1178.7-63.9-83000113.8
2081Q24.8Very low28.3Very low153 Ų153134.4 Ų134.472%0.71575%0.752SS**  cis59.2144.215.9-72.3-167.3-18.500113.8
2082Q24.3Very low28.3Very low147 Ų147135.4 Ų135.469%0.68775%0.745SS**  cis-158-160.15.6-130.8175.938.100108.8
2083Q31.3Very low28.2Very low188 Ų188138.2 Ų138.288%0.87975%0.746SS**  trans77.5155.4169.3-40.9178.11.500114.6
2084A33.2Very low28.1Very low77 Ų77140.9 Ų140.964%0.63674%0.741SS**  cis-148138.15.500000114.6
2085T32.8Very low28.2Very low125 Ų125135.9 Ų135.977%0.76773%0.728SS**  trans39.9132.9132.561.40000124.4
2086V29.7Very low28.3Very low123 Ų123137.9 Ų137.975%0.74573%0.73SS**  57.9111.6127.1-179.70000118.1
2087Q24Very low28.4Very low183 Ų183138.6 Ų138.686%0.85573%0.73SS**  67.787.363.5-71.6-163.3-12.200117.8
2088S30.3Very low28.4Very low126 Ų126136.2 Ų136.288%0.88173%0.726SS**  trans-177.7145.1146.354.80000109.9
2089G24.3Very low27.8Very low59 Ų59138.2 Ų138.261%0.60873%0.726SS**  cis159.3136.1-5.900000111.6
2090H27.2Very low27.3Very low148 Ų148142.1 Ų142.169%0.68574%0.736SS**  trans70.5144.1-177.6-51.6-87.8000116.7
2091F28.2Very low27.2Very low201 Ų201139.6 Ų139.688%0.88273%0.732SS**  cis-97.1137-13.8-77.6-114.6000108.5
2092R22.1Very low27.4Very low169 Ų169140.6 Ų140.664%0.63874%0.736SS**  cis74.474.919.5-159.3-170.1174.3166.1-0.5116.3
2093E26.5Very low27.5Very low170 Ų170138 Ų13879%0.79473%0.734SS**  trans-147.3157.3130.6-78.8-136.9120.600110.1
2094Q24.8Very low27.1Very low118 Ų118135.1 Ų135.155%0.55173%0.729SS**  -163.8143.4-50.2-123.5-172117.800110.9
2095S24.4Very low26.7Very low94 Ų94136.3 Ų136.366%0.65773%0.733SS**  trans70.1174.7148.6-46.60000116.1
2096P30.2Very low26.3Very low108 Ų108139.3 Ų139.370%0.70174%0.736SS**  -142.2-161.6-103.138.2-14.6000114.7
2097S26.8Very low26Very low98 Ų98140 Ų14069%0.68574%0.735SS**  trans66.2156.7154.852.80000117.4
2098Q27.2Very low26.2Very low163 Ų163140.5 Ų140.576%0.76274%0.735SS**  cis-152.5166.8-17-118.9165.8-11.300108.8
2099Q24.5Very low25.9Very low149 Ų149141.1 Ų141.170%0.69673%0.729SS**  trans8.4117.6152.4-62.5158.7-48.400118.1
2100H27.4Very low26.1Very low173 Ų173145 Ų14580%0.80173%0.731SS**  -169.5168.799.8-106.1-76.8000112.6
2101Q27.7Very low26Very low159 Ų159144.3 Ų144.374%0.74373%0.732SS**  trans-75.3148.1175.9-58.8141.7-51.700110.8
2102H28.5Very low26.1Very low174 Ų174143.3 Ų143.381%0.80672%0.724SS**  179.3121.2120.5-106.5-82000114.8
2103S26Very low26.2Very low93 Ų93140.4 Ų140.465%0.6572%0.72SS**  trans43.1118.5141.553.50000124.2
2104V24.2Very low26.1Very low127 Ų127142 Ų14277%0.7772%0.72SS**  95.8136.1123169.20000121.9
2105S23.6Very low26.5Very low102 Ų102141.3 Ų141.371%0.71373%0.726SS**  trans74.8152157.264.80000120.7
2106F23.8Very low26.4Very low189 Ų189143.9 Ų143.983%0.82974%0.738SS**  cis-173.1-178.9-40-118.2-63.6000108.2
2107N25.3Very low26.2Very low137 Ų137144.8 Ų144.873%0.73374%0.741SS**  trans74.6145.5172.4-59.91.5000116.9
2108F27.1Very low26.2Very low194 Ų194146.8 Ų146.885%0.85174%0.744SS**  cis-158.2152.8-30.9-137.1-79.4000107.4
2109D24.8Very low26.4Very low139 Ų139145.2 Ų145.274%0.74375%0.746SS**  trans-125.6160.6-166.4-121.2-39.3000114.6
2110E28.4Very low26.6Very low140 Ų140145.6 Ų145.665%0.65475%0.752SS**  trans50.9134.7165-57.7-164.1132.500120.3
2111N24.6Very low27Very low133 Ų133142.3 Ų142.371%0.71175%0.746SS**  cis93.2147.932.5-72.7-45.5000116.2
2112Y29.4Very low27.1Very low181 Ų181143 Ų14371%0.7175%0.754SS**  trans84.2139.5168.9-55.1-80.6000120.2
2113L25.5Very low27.1Very low107 Ų107138.6 Ų138.656%0.5676%0.756SS**  cis-174.5149.6-47.5-12647.5000110.9
2114Y25.2Very low27.1Very low204 Ų204137.7 Ų137.780%0.876%0.761SS**  trans69.4164146.4-68.1-29.8000121.3
2115P31.7Very low27.1Very low104 Ų104137.4 Ų137.468%0.67577%0.765SS**  cis-144.5164.9-4940.5-25.1000114.7
2116T23.7Very low27.1Very low148 Ų148140.7 Ų140.791%0.90877%0.771SS**  trans-167.593.8143.83.30000116.4
2117V26Very low27.2Very low126 Ų126138.8 Ų138.876%0.76477%0.768SS**  trans-156.5129.5143.8-135.10000105.5
2118N26.5Very low27.1Very low140 Ų140136.7 Ų136.775%0.74976%0.764SS**  -168.3155.870.3-78.6-58.5000108.4
2119T30.4Very low27.1Very low130 Ų130135 Ų13580%0.79876%0.763SS**  cis-151.2159.18.1-8.30000112.4
2120L28.9Very low27.4Very low157 Ų157133.4 Ų133.482%0.82276%0.76SS**  trans-67.8-179.9166.5-78.7161.2000112.2
2121P36.5Very low27.3Very low105 Ų105137.2 Ų137.268%0.68277%0.768SS**  cis-148.6161.321.139.4-16.9000121.6
2122L28.7Very low27.4Very low174 Ų174137.3 Ų137.391%0.91177%0.768SS**  trans62.1140.8137.6-68.5167.4000123.9
2123G28.2Very low27.2Very low81 Ų81138 Ų13884%0.83577%0.771SS**  trans124.6111.5154.500000114.3
2124G26.3Very low27.1Very low74 Ų74142.8 Ų142.876%0.76378%0.782SS**  trans-167.6163.7177.600000116.7
2125S25.7Very low27.1Very low121 Ų121140.1 Ų140.185%0.84678%0.777SS**  trans-173.6137.5149.1-850000113.1
2126M23.6Very low26.8Very low170 Ų170139.8 Ų139.884%0.83778%0.777SS**  trans73.5126152.8-73.8-64.2172.200123.2
2127L24.3Very low26.8Very low149 Ų149138.6 Ų138.678%0.7877%0.769SS**  trans82.2103.6146.7-64.1166000122.5
2128S24.8Very low26.7Very low93 Ų93140 Ų14065%0.6577%0.771SS**  106.3109.7115.173.60000123.6
2129I26.1Very low26.6Very low159 Ų159141.4 Ų141.482%0.81577%0.773SS**  trans76.2148.7140.1-49.4156.9000116.5
2130P31.7Very low26.3Very low105 Ų105146.8 Ų146.868%0.68278%0.778SS**  -141.1-175.6-58.545-25.1000117.4
2131R25.4Very low26.3Very low221 Ų221146.8 Ų146.883%0.83478%0.778SS**  trans82.4118.8151.9-78.5-176173.2173-1.5124.3
2132N26.6Very low25.8Very low134 Ų134149 Ų14972%0.71778%0.782SS**  trans74.1147.2136-61.88.6000119.7
2133Y24.9Very low26Very low195 Ų195145.7 Ų145.777%0.76577%0.771SS**  cis-159.4160.99-147-130.4000113.5
2134R23.6Very low25.9Very low209 Ų209151.4 Ų151.479%0.78978%0.776SS**  trans65.4152.2173.2-76.9178.3176.5-166.42.2116.6
2135Q25.4Very low25.7Very low148 Ų148158.5 Ų158.569%0.69278%0.781SS**  cis-151.91521.8-141.3165.4-78.300111.1
2136S25.5Very low25.6Very low96 Ų96159.9 Ų159.967%0.67178%0.778SS**  trans31.2147.4149.256.10000123
2137V23.4Very low25.7Very low124 Ų124158.3 Ų158.375%0.75277%0.774SS**  cis-171.5169.1-4129.50000107.4
2138I23.8Very low25.7Very low155 Ų155157.1 Ų157.180%0.79578%0.776SS**  trans79.9152.6169-84.1160.2000118
2139Q24.5Very low25.7Very low169 Ų169161.6 Ų161.679%0.7978%0.784SS**  trans65.295-178.1-70-161.51.100119.2
2140R24.7Very low25.7Very low244 Ų244159.3 Ų159.392%0.92178%0.779SS**  trans-149.288.9148.3-85.7-159.6173.7-175.7-3.1112.8
2141I28.5Very low25.5Very low157 Ų157161.5 Ų161.581%0.80579%0.791SS**  trans-138.396.1155.9-59.7-178.8000103
2142I25.5Very low25.5Very low152 Ų152161.4 Ų161.478%0.77979%0.791SS**  68.8133.993.8-68.7171.1000111.1
2143P34Very low25.9Very low104 Ų104159.4 Ų159.468%0.67579%0.785SS**  cis-125.4165.616.640.3-27.2000116.4
2144Q25.2Very low26.3Very low200 Ų200154.6 Ų154.694%0.93578%0.778SS**  trans-144.1112.9143.4-78-162.2-11.400109.9
2145Y23Very low26.7Very low223 Ų223149.7 Ų149.788%0.87577%0.773SS**  trans-110.6126.7163.3-95.1-82.2000107.9
2146L23.6Very low26.6Very low151 Ų151150.7 Ų150.779%0.79177%0.771SS**  trans173.6126.7142.8-99.3162000111.6
2147N24.8Very low26.5Very low137 Ų137152.9 Ų152.973%0.73377%0.771SS**  trans64.2138.4164.2-59.2-39.6000117.4
2148C25Very low26.5Very low124 Ų124153.4 Ų153.484%0.83877%0.768SS**  cis-137.9168.118.9-121.40000114.6
2149K23.9Very low26.5Very low187 Ų187149.9 Ų149.981%0.81376%0.763SS**  trans-89.8-165.9-176.6-58.8174.8-178.4175.60111.2
2150P27.1Very low26.5Very low111 Ų111150.6 Ų150.672%0.72177%0.771SS**  -132.8168.9-65.136.3-21.6000113.7
2151T26.8Very low26.4Very low151 Ų151142.2 Ų142.293%0.92675%0.753SS**  trans-160.6159.1142.2-50000111
2152R24.7Very low26.2Very low218 Ų218142.5 Ų142.582%0.82376%0.756SS**  trans-122.7-177.4-163.7-126.1-153.1152.9-155.4-6.2111.8
2153P35.2Very low26.2Very low92 Ų92142.6 Ų142.660%0.59775%0.751SS**  trans-131-129.7-132.241-15.2000109.8
2154P34.6Very low25.9Very low94 Ų94146.5 Ų146.561%0.6175%0.753SS**  cis-110.1-101.1-33.223.90.8000110.7
2155P31.3Very low26.2Very low106 Ų106141.4 Ų141.469%0.68874%0.737SS**  cis-111.1130.8-2.237.3-23.7000115.3
2156Y23.8Very low26.3Very low169 Ų169136.6 Ų136.666%0.66372%0.723SS**  trans-149.737.7137.9-120.1-68.1000112.8N1283N1283-Y2156 PolarHBondContact ND2-OH 3.42Å
2157E22.2Very low26.5Very low142 Ų142136.5 Ų136.566%0.66472%0.723SS**  trans-66.1162.5137.8-70.7175.6174.900107.8
2158I23.8Very low26.5Very low136 Ų136135 Ų13570%0.69772%0.719SS**  trans78.461.9-167.8-41.3167.5000113.3
2159A24.6Very low26.7Very low81 Ų81136.3 Ų136.367%0.66972%0.717SS**SBendtrans-139.28.4159.100000114.2
2160L24.5Very low26.9Very low183 Ų183133.2 Ų133.296%0.95872%0.72SS**SBendtrans-133.521.1171.9-116.2173.9000113.1
2161A23.3Very low26.9Very low68 Ų68135.8 Ų135.856%0.56272%0.722SS**SBendtrans-134128.9168.300000109.1
2162L23.3Very low26.8Very low164 Ų164138.7 Ų138.786%0.85972%0.716SS**SBendtrans90.6113-178.9-55.5173.5000117.6
2163K26.3Very low27Very low153 Ų153132.9 Ų132.967%0.66571%0.714SS**  trans82.7125.4162.7-58.4-170.9179.2-175.30117.7
2164Y26.3Very low26.6Very low187 Ų187134.8 Ų134.873%0.73372%0.719SS**SBendcis52.772-1.4-78.9-77.3000116.9L1803L1803-Y2164 HydrophobicContact CD1-CE2 3.79Å
2165P31.9Very low26.2Very low92 Ų92138.3 Ų138.360%0.59772%0.724SS**  trans-70.5147.8159.132.3-33.4000110.3
2166Q24.9Very low25.8Very low122 Ų122138.7 Ų138.757%0.5772%0.721SS**  cis-158.2179.4-6.5-102.4-71.419.500108.2
2167N28.2Very low26Very low150 Ų150136.4 Ų136.480%0.80272%0.72SS**  trans73.796.7-179.8-58.6-28.5000114.3
2168V25.1Very low26.2Very low106 Ų106134.8 Ų134.864%0.64272%0.72SS**  cis85.7127.943.7-175.60000113.2
2169N29.3Very low26.4Very low150 Ų150135.5 Ų135.580%0.80272%0.723SS**  trans71.7124.8-172.1-53.5-35.8000113.8
2170S28.6Very low26.6Very low123 Ų123137.7 Ų137.786%0.8672%0.724SS**  cis-131.6165.823.6-64.90000114.2
2171Q26.5Very low27Very low164 Ų164138.5 Ų138.577%0.76672%0.72SS**  trans-97.9154.2-176.1-63.5-178.4-3.500113.9
2172R25.3Very low27.2Very low213 Ų213144.5 Ų144.580%0.80473%0.728SS**  trans43.6104.2143.1-69174.3170.4169.7-4.1119.2
2173A28.2Very low27.5Very low95 Ų95143 Ų14379%0.78572%0.717SS**  -142.6139.4116.600000106.8
2174L25.8Very low27.5Very low133 Ų133142.2 Ų142.270%0.69672%0.715SS**  cis62.7131.434.8-56.6176.1000111.9
2175K26Very low27.6Very low167 Ų167139.4 Ų139.473%0.72671%0.713SS**  cis-169.5173.5-13.6-139-174178-170.40106.3
2176N24.5Very low27.5Very low115 Ų115140.8 Ų140.862%0.61572%0.715SS**  trans67.6166.7147.1-80.832.2000118
2177D28Very low27.8Very low121 Ų121142 Ų14265%0.64773%0.725SS**  cis-133.8165.84.4-131-44.1000115.9
2178T25.2Very low27.8Very low108 Ų108141.3 Ų141.366%0.66372%0.722SS**  trans-55.5168.317953.10000117.3
2179I29.6Very low27.9Very low150 Ų150140.2 Ų140.277%0.76972%0.719SS**  -155121.8125.8-105.6155.8000111.7
2180N27.4Very low27.9Very low128 Ų128139.3 Ų139.368%0.68471%0.714SS**  trans37.4131.9150.3-48.6-32.5000119.8
2181K32.5Very low27.8Very low200 Ų200139.5 Ų139.587%0.8771%0.705SS**  -165169.751.9-62.4155.3-162.5168.10109
2182R27.6Very low27.8Very low193 Ų193137.3 Ų137.373%0.72870%0.699SS**  cis-160.5155-9.4-128.2-160.7158.9-172.6-4.2110.5
2183H29.6Very low27.9Very low134 Ų134132.4 Ų132.462%0.6269%0.689SS**  19.5148.4123.3-66.7-122000120.5
2184E27.4Very low27.7Very low136 Ų136133.5 Ų133.564%0.63668%0.681SS**  cis-151141.914.4-111.2132.5-150.400108.3
2185N28.5Very low27.6Very low127 Ų127136.5 Ų136.568%0.67969%0.685SS**  75.4147.272.8-76.258.6000114.4
2186D30Very low27.6Very low121 Ų121135.9 Ų135.965%0.64768%0.684SS**  cis-144.4154.51.6-78.5-55.5000109.9
2187N29.8Very low27.5Very low147 Ų147136.2 Ų136.279%0.78669%0.691SS**  166.3153.691.2-96.2-72000108.7
2188N28.3Very low27.3Very low137 Ų137134.7 Ų134.773%0.73370%0.695SS**  cis-147.1164.4-5.8-165.9-10.9000109.6
2189S28.2Very low27.2Very low83 Ų83134.5 Ų134.558%0.5870%0.698SS**  trans-62.5-178-171.371.70000117.9
2190N28.3Very low27.1Very low131 Ų131134.2 Ų134.270%0.70170%0.698SS**  cis-159.5130.620.4-130.8-12.7000114
2191N26.8Very low26.9Very low127 Ų127135 Ų13568%0.67970%0.701SS**  15.6156.4116.4-69.8-12.1000120.2
2192N26.7Very low26.5Very low118 Ų118130 Ų13063%0.63169%0.691SS**  cis-166.7168.714.7-128.4-12.5000116.5
2193N27.2Very low26.5Very low109 Ų109126.8 Ų126.858%0.58370%0.699SS**  trans68.9106140.3-69.5-18.1000124.6
2194N24.6Very low26.3Very low119 Ų119123.6 Ų123.664%0.63670%0.702SS**  87.3138.9108.3-67.1-17.2000125.6
2195Y23.6Very low26.4Very low196 Ų196124.2 Ų124.277%0.76971%0.708SS**  trans85126145.8-72-51.1000123.4
2196H25.9Very low26.2Very low154 Ų154127.7 Ų127.771%0.71372%0.717SS**  trans72.4108.5143.8-81.5-70.9000123.1
2197T23.3Very low26.1Very low122 Ų122129.4 Ų129.475%0.74873%0.725SS**  trans61.8115.4133.3510000122.4
2198A22.9Very low25.8Very low89 Ų89125.2 Ų125.274%0.73672%0.717SS**  77.9112.7128.400000121.5
2199S24Very low25.9Very low104 Ų104125 Ų12573%0.72772%0.721SS**  trans77.5131.9137.367.30000121.9
2200N25.6Very low25.6Very low143 Ų143126.3 Ų126.377%0.76573%0.725SS**  trans84.2123.1143.9-66.7-5.8000122.4
2201L24.8Very low25.7Very low146 Ų146128.2 Ų128.276%0.76473%0.729SS**  trans67.495.5132.9-69.3168.3000120.4
2202S23.9Very low25.6Very low93 Ų93126.8 Ų126.865%0.6573%0.726SS**  56.1137.9115.668.20000121.7
2203S27.1Very low25.5Very low127 Ų127129.3 Ų129.389%0.88873%0.734SS**  trans73.3151.8167.383.90000115.7
2204G25.2Very low25.5Very low67 Ų67128.8 Ų128.869%0.69173%0.734SS**  cis155.338.1-4.100000115.6
2205I28.7Very low25.8Very low148 Ų148131.2 Ų131.276%0.75974%0.742SS**  trans-134.6122.5-179-52.2173.7000106.3L2207I2205-L2207 HydrophobicContact CG2-CD1 4.17Å; I2205-L2207 HydrophobicContact CG2-CG 4.01Å
2206K25.4Very low25.9Very low201 Ų201129 Ų12987%0.87474%0.743SS**  cis74.464.87-142.4177.9-171.2-179.50117.1
2207L28.1Very low26.6Very low156 Ų156127.1 Ų127.182%0.81775%0.745SS**  trans-119.5124.9156.2-84.4158.8000108.4I2205I2205-L2207 HydrophobicContact CG2-CD1 4.17Å; I2205-L2207 HydrophobicContact CG2-CG 4.01Å
2208G24.1Very low26.9Very low60 Ų60130.2 Ų130.262%0.61975%0.748SS**  cis111.660.4-19.800000117.4
2209T28.6Very low27Very low132 Ų132130.2 Ų130.281%0.8174%0.742SS**  trans-149.1121.8156.629.10000107.5
2210V23.8Very low27Very low111 Ų111130.8 Ų130.867%0.67374%0.737SS**  cis90.9100.942.1175.50000113.1T2212V2210-T2212 HydrophobicContact CG1-CG2 4.46Å
2211H28.6Very low27.2Very low170 Ų170132.2 Ų132.279%0.78774%0.737SS**  -157126.8117.6-90.6-50.7000105.4
2212T24.7Very low27.3Very low98 Ų98130.5 Ų130.560%0.60173%0.725SS**  52.5141.270.575.80000112.3V2210V2210-T2212 HydrophobicContact CG1-CG2 4.46Å
2213Q26.1Very low27.3Very low170 Ų170131.6 Ų131.679%0.79472%0.722SS**  cis-166.2-171.839.5-150177.152.500110.9
2214V27.4Very low27.3Very low99 Ų99133.3 Ų133.360%0.671%0.714SS**  trans78.6105.5149.1163.60000119.3
2215Q29.3Very low27.3Very low169 Ų169135.4 Ų135.479%0.7971%0.714SS**  trans72.7106.9134.4-63.9174.112.100122
2216N26.7Very low27.2Very low150 Ų150133.7 Ų133.780%0.80271%0.71SS**  trans-42.7140.6138.5-67.9-16.7000112.5
2217P41.2Very low27.2Very low114 Ų114132.1 Ų132.174%0.7470%0.703SS**  -87.8122.7109.827.5-31000108.4
2218K29Very low26.9Very low188 Ų188132.6 Ų132.682%0.81770%0.701SS**  69.8128.579.2-73.8178.6-179.8177.60111.4
2219S24.8Very low27Very low89 Ų89137.6 Ų137.662%0.62271%0.713SS**  cis-165.9173.61.647.20000111.2
2220D24.3Very low26.9Very low115 Ų115135.6 Ų135.662%0.61571%0.705SS**  7.9133125.5-24.3-29.8000114.3Q2222D2220-Q2222 HydrophobicContact CB-CG 4.22Å
2221K30.2Very low27.1Very low174 Ų174136 Ų13676%0.75770%0.703SS**  -162.1152.461.5-82-159.3172.9-152.20113.7
2222Q26.7Very low27.2Very low110 Ų110135.7 Ų135.751%0.51470%0.699SS.*  cis-172.7147.9-20.9-123.9175.3-8.200108.5D2220D2220-Q2222 HydrophobicContact CB-CG 4.22Å
2223L23.1Very low27.3Very low115 Ų115138.4 Ų138.460%0.60271%0.71SS**  trans68.8168.9142-90.128.3000118.7
2224F27.3Very low27.4Very low163 Ų163134.6 Ų134.672%0.71570%0.702SS**  cis-142.6147.710.6-129.6-40.2000113.9
2225T25.9Very low27.4Very low111 Ų111137.8 Ų137.868%0.68171%0.711SS**  trans68.3157.5145.246.10000121.2
2226V25.5Very low27.2Very low113 Ų113136.8 Ų136.869%0.68571%0.711SS**  cis-176.5160.3-40.9102.10000109.2
2227K26Very low27.8Very low167 Ų167134.6 Ų134.673%0.72671%0.705SS**  trans67.2124.3171.5-80.1158.4-176.9-177.20114.7
2228Q22.5Very low27.1Very low166 Ų166136.6 Ų136.678%0.77671%0.707SS**  82.2152.153.2-74-177.7-37.800113.4
2229L25.9Very low26.8Very low165 Ų165134.2 Ų134.286%0.86470%0.703SS**  trans82.4130.6-178.8-52.4172.7000114.7
2230S25.6Very low26.7Very low91 Ų91140.3 Ų140.364%0.63671%0.714SS**  cis-177156.7-31.432.80000109.5
2231D28.5Very low26.7Very low119 Ų119139.6 Ų139.664%0.63673%0.725SS**  trans75112.8150.9-7824.6000122.9
2232K30.2Very low26.4Very low164 Ų164135.8 Ų135.871%0.71372%0.72SS**  trans87.8106.9131-66.1164.7-179.2141.80121.1
2233N27.8Very low26.2Very low155 Ų155140.6 Ų140.683%0.82974%0.735SS**  55.2139.3123.9-60.14.3000120.6
2234S27.4Very low26.2Very low89 Ų89140.7 Ų140.762%0.62274%0.74SS**  cis-170.8154.63.641.40000113.5
2235Q27.4Very low26.1Very low167 Ų167138.6 Ų138.678%0.7874%0.741SS**  trans65.6154.6157.1-67.5152.4-35.300118.3
2236N26Very low26.1Very low148 Ų148139 Ų13979%0.79174%0.744SS**  cis-156.5166.9-28.6-111.63.6000109.6
2237P38.9Very low26.1Very low104 Ų104140.2 Ų140.268%0.67575%0.751SS**  trans-134.8-154.9-144.339.8-19.5000117
2238I26Very low26.1Very low155 Ų155135.7 Ų135.780%0.79575%0.745SS**  trans94.9122.4169.2-53.1160.5000114.2
2239N22.4Very low26.2Very low138 Ų138134.2 Ų134.274%0.73875%0.748SS**  cis94105.76.1-93.716.2000122
2240Y23Very low26Very low217 Ų217133.1 Ų133.185%0.85174%0.741SS**  trans57.4137.9136.2-84.6-85.1000126.4
2241A23.7Very low26Very low101 Ų101135.1 Ų135.184%0.83575%0.75SS**  trans79.9173.7138.400000121.6
2242S24.1Very low25.7Very low94 Ų94133.9 Ų133.966%0.65775%0.75SS**  trans-134150.2-150.656.20000115.1
2243Y23.6Very low25.4Very low211 Ų211131 Ų13183%0.82775%0.751SS**  172.6129.3127.3-99.6-71.1000114.1
2244T23.4Very low25.3Very low116 Ų116129.4 Ų129.471%0.71275%0.75SS**  trans34121.3149.246.90000125.3
2245T24.9Very low25.4Very low119 Ų119130.8 Ų130.873%0.7376%0.76SS**  87.289.2128.7-47.40000122.9
2246T25.2Very low25.3Very low120 Ų120128.9 Ų128.974%0.73675%0.751SS**  44.4116.3120.3-38.10000123
2247T25.6Very low25.4Very low138 Ų138130.8 Ų130.885%0.84775%0.753SS**  157.2155.7125.339.30000110.5
2248A25.9Very low24.7Very low73 Ų73129.1 Ų129.160%0.60374%0.743SS**  cis-169150.5-33.400000109.3
2249T24.4Very low24.7Very low134 Ų134127.6 Ų127.682%0.82274%0.737SS**  trans64160.716354.40000116.9
2250I23.1Very low24.8Very low143 Ų143126.6 Ų126.673%0.73373%0.731SS**  cis-154.81495-134161.3000110.8
2251V23.8Very low24.9Very low133 Ų133122.1 Ų122.181%0.80672%0.722SS**  trans61.3150.7152.41620000119.5
2252S24Very low25.1Very low92 Ų92124.3 Ų124.364%0.64372%0.72SS**  cis-176.2-159.9-25.4-165.50000107.7
2253S24Very low25.1Very low105 Ų105126.4 Ų126.473%0.73472%0.724SS**  trans82.1106.6168.9-49.20000114.1
2254C25.3Very low25.3Very low121 Ų121123 Ų12382%0.81872%0.72SS**  cis80.7121.144.3-58.50000115.2
2255S28.3Very low25.7Very low118 Ų118123.7 Ų123.783%0.82572%0.719SS**  trans-175.4157.1143.843.40000109.3
2256E26.5Very low25.9Very low127 Ų127124.4 Ų124.459%0.59372%0.719SS**  cis-159.1178-46.9-125.2-160.2119.100106.6S2258E2256-S2258 WeakPolarHBondContact OE1-CB 3.28Å; E2256-S2258 PolarHBondContact OE1-OG 3.28Å
2257F27.7Very low26.1Very low188 Ų188125.6 Ų125.683%0.82572%0.72SS**  cis-145.517918.8-71.3-82.9000110.6
2258S24.8Very low26.2Very low68 Ų68123.2 Ų123.248%0.47671%0.71SS.*  cis-177.7158.7-48.1-1480000111.4E2256E2256-S2258 WeakPolarHBondContact OE1-CB 3.28Å; E2256-S2258 PolarHBondContact OE1-OG 3.28Å
2259N26.2Very low26.4Very low123 Ų123126.3 Ų126.366%0.65872%0.716SS**  trans66.5110.6143.7-71.9-18.8000126.2
2260N23.9Very low26.6Very low117 Ų117126.2 Ų126.263%0.62671%0.71SS**  87.6122.6106.5-63.5-10.1000126.4
2261N24.3Very low26.9Very low124 Ų124125.6 Ų125.666%0.66371%0.709SS**  61.4118.7126.4-53.5-11.6000123.2
2262N27.9Very low27.1Very low147 Ų147125.9 Ų125.979%0.78671%0.706SS**  171.2145.2104.9-88.2-32.7000115.7
2263N23.8Very low27.1Very low137 Ų137126.6 Ų126.673%0.73371%0.711SS**  trans24.4149.5149.2-59.4-8.5000125.4
2264N27.6Very low27.2Very low140 Ų140130.2 Ų130.275%0.74972%0.721SS**  trans106.4133.3148.3-65.2-19.1000120.9
2265N32.2Very low27.1Very low131 Ų131132.2 Ų132.270%0.70172%0.718SS**  trans59.7127.4142.5-62-8000123.5
2266N30.1Very low26.8Very low134 Ų134135.4 Ų135.472%0.71771%0.713SS**  50.3136.1127.8-53.7-9.4000122.9
2267N29.6Very low26.7Very low144 Ų144135.9 Ų135.977%0.7772%0.715SS**  trans69.9110.7137-72.716.2000122.1
2268S28Very low26.7Very low89 Ų89138.1 Ų138.162%0.62272%0.718SS**  58.5118.5123.768.20000122
2269D28.1Very low26.8Very low137 Ų137140.9 Ų140.973%0.73373%0.728SS**  61.9103.1125.2-44.4-20.2000119.9
2270N30.5Very low26.8Very low132 Ų132144.1 Ų144.171%0.70674%0.736SS**  171132.993.6-92.1-72.8000113.5
2271N29.4Very low26.8Very low131 Ų131143.1 Ų143.170%0.70174%0.738SS**  trans56.4133.9150.8-54.2-33.6000119.8
2272N27.9Very low26.9Very low139 Ų139142.2 Ų142.274%0.74374%0.742SS**  cis-158.2147.94.3-126.7-17.3000113
2273S23.5Very low26.7Very low107 Ų107140.8 Ų140.875%0.74874%0.739SS**  trans68.8150.5166.5-600000120.8
2274L25.5Very low26.8Very low181 Ų181140.2 Ų140.295%0.94874%0.74SS**  trans74.8158.5176.2-62.5171.6000117.8
2275Q23Very low26.7Very low162 Ų162138.4 Ų138.476%0.75774%0.737SS**  trans-102.4146.1-168-63.7176.5-35.500112.4
2276Y23.3Very low26.4Very low186 Ų186140.4 Ų140.473%0.72974%0.742SS**  -177.5161.399.9-116.3-91000114.4
2277E24.4Very low26.2Very low136 Ų136138.1 Ų138.164%0.63674%0.736SS**  trans-34.8158.5177.7-61.8167.1-166.100120.6
2278R26.5Very low25.9Very low235 Ų235139.6 Ų139.689%0.88774%0.736SS**  167167.9118.9-89.3161.9-176.8-170.14.3112
2279N27.3Very low25.9Very low127 Ų127141.4 Ų141.468%0.67974%0.735SS**  cis-171.7167.5-46.3-139.4-41.4000109.5
2280K26.4Very low25.9Very low190 Ų190141.7 Ų141.783%0.82673%0.732SS**  trans68.8158.9173.8-56.3177.8-176.5178.30116.8
2281S24.3Very low25.6Very low96 Ų96146.9 Ų146.967%0.67174%0.742SS**  cis-169.1140.8-30.355.10000112.4
2282S25Very low25.2Very low105 Ų105147.1 Ų147.173%0.73474%0.74SS**  trans74.4147160.190.50000119.7
2283T25.6Very low24.9Very low118 Ų118146.7 Ų146.772%0.72473%0.734SS**  trans70.7108.4144.8-38.50000120.2
2284V25.6Very low24.9Very low125 Ų125149.1 Ų149.176%0.75873%0.733SS**  trans68104.9145.5176.80000119.5
2285C25.6Very low24.8Very low102 Ų102151.6 Ų151.669%0.68973%0.73SS**  trans59.1115.9131.5-60.10000123.4
2286Q25.2Very low25.2Very low173 Ų173149.1 Ų149.181%0.80873%0.728SS**  80.1107.7115-71.7-168-2000122.5
2287S25.4Very low25.2Very low85 Ų85145.3 Ų145.359%0.59473%0.729SS**  104.5152.6100.2-71.60000122
2288F24.4Very low25.7Very low175 Ų175144.9 Ų144.977%0.76874%0.738SS**  trans78.2149.9145.4-82.3-35.9000118.6
2289Q28.1Very low26.1Very low128 Ų128138.6 Ų138.660%0.59873%0.727SS**  cis-156.5166.13.5-147.1145.74.700116.2
2290Q28.3Very low25.9Very low143 Ų143137.2 Ų137.267%0.66873%0.728SS**  trans79.5110.4139.5-107.9156.346.400123.8
2291R22.4Very low25.9Very low240 Ų240137.4 Ų137.491%0.90672%0.724SS**SBend-134.7139.1108-72-169.8-164.5177.35.9106.8
2292M21.4Very low25.8Very low137 Ų137139.4 Ų139.468%0.67572%0.723SS**SBendcis-129.1-179.9-10.5-82.2-59.2-117.400109.7
2293Q21.3Very low25.8Very low129 Ų129142.8 Ų142.860%0.60373%0.727SS**  trans-27.6154.8162.7-68.8122.3-31.400117.4
2294E23.4Very low25.7Very low159 Ų159143.4 Ų143.474%0.74373%0.731SS**  cis-147.6142.77.1-113.1142.4-145.200108.5
2295R24.1Very low25.6Very low233 Ų233144 Ų14488%0.87973%0.729SS**  76.6155.474.6-103.8-168-177.8-154.61.4113.8
2296P31.5Very low25.6Very low109 Ų109143.7 Ų143.771%0.70873%0.728SS**  -140.1-140.8-115.543-21.7000112.8
2297S23.7Very low25.7Very low107 Ų107143.6 Ų143.675%0.74873%0.73SS**  trans103.9150.9154.585.10000116.5
2298P35Very low25.6Very low127 Ų127143.3 Ų143.383%0.82573%0.728SS**  trans-119.4-95.8-140.2196.1000119
2299P35.1Very low25.6Very low102 Ų102145 Ų14566%0.66273%0.729SS**  -116.1-175.3-127.343.8-33.3000114.7
2300S23.2Very low25.5Very low99 Ų99150 Ų15069%0.69274%0.742SS**  trans75.7167.1157.879.10000117.1
2301Y25.6Very low25.3Very low193 Ų193146.2 Ų146.276%0.75774%0.741SS**  trans56.596-172.6-75.9-88.6000115.2
2302Q22.3Very low25.5Very low139 Ų139142 Ų14265%0.6574%0.737SS**  63.8126.466.7-62.7-169.4-41.200114.8
2303Q24.1Very low25.6Very low175 Ų175141.6 Ų141.682%0.81874%0.737SS**  trans41.1116136.9-60-177.3-5.600119.5
2304V23.8Very low25.8Very low132 Ų132143.8 Ų143.880%0.875%0.748SS**  -178.1135.6129.7140.90000106.6
2305L24Very low25.8Very low138 Ų138139.4 Ų139.472%0.72375%0.745SS**  cis-148.8179.2-17.8-95.5166.8000104.7
2306S25.1Very low25.9Very low95 Ų95133.3 Ų133.366%0.66474%0.738SS**SBendcis-157.1156.814.9-21.70000106.4
2307M26.6Very low25.5Very low171 Ų171135.5 Ų135.584%0.84274%0.743SS**  cis-133.2140.28-79.3-158.6-177.800108.1
2308S25.1Very low25.7Very low79 Ų79139.9 Ų139.955%0.55275%0.749SS**  57.1140.580.9-72.90000114.2
2309R23.6Very low25.8Very low210 Ų210140.4 Ų140.479%0.79274%0.743SS**  cis-171.5156.30.7-114.9164.9-166.7-165.40.7109.2
2310R25.5Very low25.4Very low233 Ų233141.9 Ų141.988%0.87974%0.744SS**  trans64.7160.4166.9-59.6169.2176.3176.3-3.2114.3
2311G23.5Very low25.5Very low63 Ų63142 Ų14265%0.64975%0.745SS**  cis110.2134.2-3.400000113.4
2312N27Very low25.4Very low153 Ų153136.1 Ų136.182%0.81874%0.736SS**  trans64.1146.6-173.2-79-6.7000113.6
2313N25Very low25.3Very low127 Ų127137.5 Ų137.568%0.67974%0.743SS**  cis76.6119.742-162.912.5000111.7
2314Q25.3Very low25.6Very low175 Ų175134.8 Ų134.882%0.81874%0.743SS**  trans70.4142.4178.7-50.3177.7-800117.4
2315G23.7Very low25.5Very low67 Ų67135.4 Ų135.469%0.69174%0.737SS**  trans74.673.4174.700000113.8
2316S24.3Very low26.5Very low105 Ų105134 Ų13473%0.73474%0.736SS**  cis64.7163.234.7-44.40000114.5
2317L23.6Very low26.7Very low156 Ų156135.3 Ų135.382%0.81774%0.742SS**  trans70.967.4155.9-64.8160.9000118.5
2318K29.2Very low26.9Very low198 Ų198131.8 Ų131.886%0.86174%0.735SS**SBend-175.7124.5124-95.8163.7-176.9-178.20106.2
2319I37Very low27.2Very low139 Ų139135 Ų13571%0.71375%0.746SS**  cis-144.1126.89-103.2155.3000104.5
2320I25.9Very low27.5Very low133 Ų133131.2 Ų131.268%0.68274%0.74SS**  49.7113.390.4-55.4166000109.2
2321S25.7Very low27.7Very low100 Ų100130.1 Ų130.170%0.69974%0.737SS**  cis-146.2157.147.8-51.50000109.4
2322A22.9Very low27.7Very low70 Ų70132 Ų13258%0.57974%0.74SS**  56112.765.500000112.4
2323Q21Very low27.7Very low168 Ų168130 Ų13079%0.78574%0.739SS**  71.972.290.5-69.1169.4-29.800114.8
2324S29.1Very low27.7Very low119 Ų119133.5 Ų133.583%0.83275%0.75SS**  -118.387.7123.247.40000106
2325H22.2Very low27.7Very low144 Ų144128.8 Ų128.867%0.66775%0.749SS**  48.9113.173.7-115.6-71.3000112.2
2326P45.4Very low27.8Very low108 Ų108137.4 Ų137.470%0.70176%0.761SS**  trans-70.1167.4166.235.1-36.5000109.3
2327P28.9Very low28.2Very low123 Ų123137.9 Ų137.980%0.79976%0.761SS**  -144.8128.910334.9-20000114.7
2328S31Very low28.6Very low98 Ų98138.7 Ų138.769%0.68576%0.76SS**  180126115.236.60000111.7
2329N31.3Very low28.8Very low145 Ų145134.7 Ų134.778%0.77576%0.755SS**  trans58.5142.1133.3-57.2-6.6000120.7
2330I31.1Very low28.5Very low132 Ų132133 Ų13368%0.67775%0.753SS**  cis-158.6142.8-3.8-114.4165.7000108.6
2331Y29.3Very low28.3Very low210 Ų210133.2 Ų133.282%0.82475%0.751SS**  trans46140.5156.5-76.1-108.9000124.5
2332S23.8Very low28.2Very low102 Ų102136.5 Ų136.571%0.71375%0.748SS**  trans-53.8139.8157.652.10000116.9
2333S26.4Very low28.2Very low112 Ų112139 Ų13978%0.78376%0.756SS**  trans-172.9124.7136.631.10000109.2
2334H25.8Very low28.3Very low199 Ų199138.1 Ų138.192%0.92175%0.754SS**  53.193.5101.5-83.434.3000116.7
2335G24.8Very low28.2Very low76 Ų76136.2 Ų136.278%0.78475%0.745SS**  trans116.3158.3139.400000119.4
2336R24.4Very low28.3Very low249 Ų249135.5 Ų135.594%0.9475%0.751SS**  trans72.3161.8163.7-85.5-165.3170.2-149.5-3.4118.3
2337P34.5Very low27.4Very low114 Ų114138.2 Ų138.274%0.7476%0.759SS**  trans-133.8-146.8-134.743.7-23.9000114
2338Q30.6Very low27.1Very low173 Ų173136.9 Ų136.981%0.80875%0.753SS**  trans-46.1165160.2-57.7-174.84.800113
2339P33.1Very low27Very low115 Ų115137.5 Ų137.575%0.74776%0.757SS**  cis-127.9-104.215.122.95.2000117.1
2340P31.7Very low26.6Very low102 Ų102137.4 Ų137.466%0.66276%0.756SS**  -136.9-175.6-129.145.7-26.1000117.9
2341Q22.2Very low26.6Very low139 Ų139137.2 Ų137.265%0.6577%0.765SS**  trans67.1133.3155-73.3-164.524.100121.7
2342R22.3Very low26.7Very low169 Ų169131.9 Ų131.964%0.63876%0.758SS**  trans61.7154.9140.9-64.6175.8179.3174.2-4.5116.1
2343T23.4Very low26.8Very low121 Ų121134.5 Ų134.574%0.74276%0.759SS**  cis-155-179.1-6.86.90000106.4
2344M24Very low27.1Very low151 Ų151135.9 Ų135.974%0.74476%0.758SS**  cis-156.1-169.913.7-142.2-176.3-17200110.4
2345A25.7Very low27.4Very low79 Ų79131.5 Ų131.565%0.65374%0.741SS**  trans43.695.2146.900000120.2
2346T24.6Very low27.8Very low128 Ų128136.6 Ų136.679%0.78574%0.738SS**  26118125.755.60000119.5
2347L26.8Very low28Very low165 Ų165134.6 Ų134.686%0.86473%0.731SS**  -164.5159.9106.7-103.9164.6000112.2
2348S22.8Very low27.8Very low96 Ų96133.1 Ų133.167%0.67173%0.728SS**  trans-54.9158.8168.155.20000112
2349S28.5Very low27.6Very low110 Ų110130 Ų13077%0.76973%0.725SS**  -175.617259.551.90000116
2350N23.7Very low27.2Very low144 Ų144129.1 Ų129.177%0.7772%0.722SS**  trans-45.2150.6175.6-48.1-31.4000117.4
2351C29.8Very low27.1Very low127 Ų127129.2 Ų129.286%0.85872%0.724SS**  trans-164.8147.8135.4-105.30000109
2352S31.3Very low27.8Very low98 Ų98128.5 Ų128.569%0.68573%0.734SS**  cis-161125.2-15.130.80000107
2353H27.2Very low28.4Very low157 Ų157125.6 Ų125.673%0.72774%0.737SS**  71.812078.4-94.841.2000116
2354N32.5Very low28.5Very low142 Ų142122.7 Ų122.776%0.75973%0.731SS**  trans162.2143132.3-80.9-23.1000109.4
2355N31.8Very low28.8Very low106 Ų106124.5 Ų124.557%0.56774%0.74SS**  cis-157.7167.5-29-80.5-43000104.7
2356Y32.2Very low28.7Very low184 Ų184126.3 Ų126.372%0.72274%0.743SS**  cis-145160.517.8-81.5-106.2000107.1
2357R30.4Very low28.6Very low207 Ų207126.4 Ų126.478%0.78174%0.737SS**  cis-149.3141.6-15.8-117.6-179.7179.4155.9-4.5104.5
2358A29.2Very low28.8Very low82 Ų82125 Ų12568%0.67874%0.735SS**  51.6139.989.100000113.6
2359S26.7Very low29.4Very low109 Ų109131.1 Ų131.176%0.76274%0.743SS**  cis-173.6163.715.4120000107.7
2360S24.8Very low29.5Very low96 Ų96130.8 Ų130.867%0.67174%0.739SS**  cis-175.8-171.9-9.849.40000107.7
2361C28.9Very low29.7Very low104 Ų104130.3 Ų130.370%0.70374%0.741SS**  trans66.5120159.6-55.90000117.9P2363C2361-P2363 WeakPolarHBondContact O-CD 3.43Å
2362S37.8Very low29.8Very low123 Ų123129.8 Ų129.886%0.8673%0.733SS**  -78.7120.4127.2-46.20000108.4
2363P34.3Very low29.5Very low109 Ų109130.9 Ų130.971%0.70873%0.731SS**  trans-70.1146.2142.3-8.227.2000107.7C2361C2361-P2363 WeakPolarHBondContact O-CD 3.43Å
2364G26.2Very low29.5Very low59 Ų59129.3 Ų129.361%0.60873%0.728SS**  71.795.97000000108.1
2365M29Very low29.2Very low189 Ų189128.8 Ų128.893%0.93173%0.725SS**  cis47.766.437.5-158.8-172.3-176.700113
2366T23.6Very low29.1Very low117 Ų117130.4 Ų130.472%0.71873%0.734SS**  trans-135.7103.8162-64.40000103.9
2367I23.5Very low29.1Very low131 Ų131126.2 Ų126.267%0.67273%0.731SS**  60.1112.892.8-59.5158.3000108.6
2368V30.2Very low29Very low134 Ų134122 Ų12281%0.81273%0.729SS**  -122.7117.674.9176.50000113.4
2369R36.1Very low28.8Very low225 Ų225126.3 Ų126.385%0.84973%0.734SS**  trans-67.5148.5153.3-65.1173.8173.7174.1-4.7108.3
2370P30.2Very low29Very low103 Ų103125.2 Ų125.267%0.66973%0.725SS**  -136.5155.2121.437.8-28.7000112.8
2371V29Very low29.2Very low134 Ų134127.6 Ų127.681%0.81273%0.725SS**  trans60.7125.7139.3166.30000118.1
2372V31.9Very low29.2Very low117 Ų117129.3 Ų129.371%0.70972%0.722SS**  cis-162.1169.2-12.788.60000108.8
2373N23.5Very low28.7Very low120 Ų120131.1 Ų131.164%0.64272%0.715SS**  trans-7161.4135.4-77.543.3000117.8
2374D27Very low28.2Very low124 Ų124133.2 Ų133.266%0.66372%0.715SS**  cis-162.5173.323.4-131.5-36000112.3
2375L27.2Very low28.5Very low132 Ų132137.6 Ų137.669%0.69172%0.723SS**  trans68.8116.6154.6-68162000120.9
2376N30.2Very low28.5Very low139 Ų139131.2 Ų131.274%0.74371%0.706SS**  trans78.9123145.2-53.5-18.8000118.5
2377S30.6Very low28.7Very low97 Ų97137.2 Ų137.268%0.67872%0.715SS**  cis-157.9141.9-2.4-99.30000113.9
2378V29.5Very low29Very low119 Ų119138.3 Ų138.372%0.72172%0.721SS**  trans5698.9139.4-175.60000118.2
2379E24Very low29.1Very low171 Ų171137.6 Ų137.680%0.79972%0.717SS**  45.3162.7104.6-81-167.9142.400122.2
2380P31.5Very low28.9Very low86 Ų86138.2 Ų138.256%0.55874%0.737SS**  cis-142.2-174.6-17.230.9-7.7000116.4
2381H28.4Very low28.8Very low147 Ų147140 Ų14068%0.68174%0.741SS**  trans80.2100.9148.5-64.3-41.4000123.8
2382H28.8Very low28.8Very low139 Ų139140.3 Ų140.364%0.64474%0.737SS**  89.4110.9112-72.8-19.6000124.7
2383K27.9Very low28.7Very low161 Ų161141.6 Ų141.670%0.774%0.739SS**  68.8106.6118.2-69.7177.7173.4172.90122.3
2384H24.9Very low29Very low154 Ų154142.9 Ų142.971%0.71374%0.744SS**  77.2151.6119.5-78-29.5000123.4
2385I31.3Very low29.1Very low150 Ų150144.1 Ų144.177%0.76975%0.75SS**  trans74.1140.5170.6-57.9157.1000114.8
2386G29.6Very low29.2Very low56 Ų56144.9 Ų144.958%0.57775%0.753SS**  cis141.6112.4-16.900000117
2387R27.2Very low29.1Very low243 Ų243145.3 Ų145.392%0.91775%0.754SS**  trans51113.7162.6-84.7-169.4176.4-175.7-0.4120.1
2388L29.6Very low29Very low153 Ų153149 Ų14980%0.80176%0.76SS**  trans-175149131.8-89.4145.3000104.3
2389V31.7Very low29Very low119 Ų119151.5 Ų151.572%0.72176%0.763SS**  cis62.974.225.3-169.90000112.9
2390D32.9Very low29.4Very low239 Ų239149.7 Ų149.7100%1.27876%0.76SS**  -120.10110.1-80.3-46.5000107.8

Retrieved 2,390 of 2,390 residues in 1845.7 ms (Link to these results)

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