A0A5K4FAP8_SCHMA Loading...

SEC7 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FAP8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 2,003 aa.

>A0A5K4FAP8_SCHMA|A0A5K4FAP8
MAPSNALCMIQSEVSLMLTALRCSHRNSFRMYQDDSKRPLLLSFNQLRSILNVAKSVNELEPLVYLTPFLEVIRSEDTTGPVTGLALTAVDKFLSYGLLELPSSKSDESSLNKTGSLNSIGLAVEAIADASTQARFVGTDPRSAEVVLMKVLHLLRTLLLVPAGALVSDRAIREILQSCFRICFEPKLSELLRRTAELCLASMIQLFFSRLPTLVGFKTDRVVQQPTVQLENSTMLSQPDTRSDDLQTVDHQPQPYTIETVCELLSNLIHSLSPEHNKESVISISLGLITIALETGADAIANSPRLLHLVRGDLTKYLMLLLYSEDVWQFAATLRVCFLLFESMRSQLKLQMEVYLQRLTAIISSDNESTGYERREIALDSVVRLFLVPGLAAELYINYDCDPYCSNLFEDITKMLAKNAFPVVRLMGTHLLALDALLAVLNTIEVQCGASQATIIDQDSLNKSPNSTNYLPLVDKSSTIDSKYRVRPNRHFVDLTKLPSREELNISKSKKKLLILGSDHFNIKPKRGITFLQENDILQKPLNYDELALFLRENPRLDKRMIGEYISDRENTDVLTAFVRQFNFVGVPIDEALRVYLEAFRLPGEAPLIQRIIEHFAEHWYTSNQSPFIDVDAAFTLAYAILMLNTDQHNPNSKRQNAPMRMEDFKKNLSGMNGNQDFDPKLLESIYNNIHNHEIVMPIEQTGLVRENYLWKCLLRRSSTKQALFIHVQTGAFDADLFELIWGPTVSALSFIFDKTNDPEVQSKAIDGFNRCATIAAYYGMSDVLDNLVISLCKFTTLLTANDNPTNLPIMLGRNTKACLALYLVFTISSRHADILRYGWHSLLDCLLQLFRANLLPNELLESQDFLTTSRKVYITTKGCIPIKKESKNSRHSHRRRQKASRLQNSNSNRELGVFSSFYQYLTTGSSWIGSGDEDEDDDELKDDENDNEDENDEIILNKDIGISSSLDCQSTHPNKSKLFNNNNNNNLLMNQSHLLSYVNRSQLDEQTSSRFASEIVIQCRIDQLIEDSKFLVDASLTELIKALLCATRGDSYTMLSHNFDSNSIFSVEGLQYDNSHLSDRSVQSSCLNVDSGLSSSSLAPVNSSSSPSTTLTETEVSNIGVSPQDPSQHNSTMHVFPPPSSAPALIQWTGNGNTSYYSSCNATGVTSSDDCRVFCLELLIRVLMRNRDRLVCFWSLVRYYLVDLLLSARSPSLIVERVIVGFLRLAICLLRRHEVTSQIFATLYWLLLNHGEQLMYCVNPSSILPQASISSPKVSNSRHTHKKSSTFFVNNNGNSASSLSLLFKHGSRVARQVIGGLTDLLRNHAADLPDPTTDWKLIFGLLEICGAGRRANILLTGTTVTKCDSEEKFSYSSSDIPRKMSANHPSNPYKSSRGYTSDSETHHTVHEVQAVASKSYSHLSSSNMFVSGNDGEQMQKKSSSEVIEQAENDTTDVSESYEVIHKLPNKMAQITWGKSSLLISPLVLSYEVVIGSRDPVTLEQAVDCLAFLIRDPAHITPDNFECAVEALRVFVEACINLPPRNANNLVSSSYDVNNKTESAHRRRPDHPRHSTNRPNYALSDSDTDTEQHLEHGKLKTVEKGVVFSESVLSPITSVIAVQLLDLINILFTRATSIYREWTRINPGQLTSSTVVNEEFTNSQLDNEKYSHNNTNDVETSNSSMDSINLDHLWNVCWRPLLQSTARLCSDIRRDVRTDALTYLQKALLSPTLHLLNGKQWENCFNEVLFPLLSGFLESITLEEVLTTNSRNSHDIINYNTGYAHHLHAVEFADPRMRAIPLLTKVYLQHLRPLYELDTFNTLWIRMLAYMEQYMLASSNSDSLTDAVRESLKNVLLVMCTGTHDINPILIKDSPANSNSAILWELTEKHLSSFLPELLEQLFPSNLPETNTTNVITNSNDPPAITESNEELTHESSMSDDHINAVNQVLDVPTSRSPAESQLLNDVNPSDIPVVVEQCSNHDINRSSLELSEMTISKPNISTIYNL
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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
1M42.9Very low76.9Confident195 Ų19566.5 Ų66.596%0.96139%0.388SS*.  086.50-68.5168.565.200107.9E100M1-E100 WeakPolarHBondContact CA-OE2 3.48Å; M1-E100 PolarHBondContact N-OE1 3.39Å; M1-E100 PolarHBondContact N-OE2 3.03Å
2A57.3Low78.2Confident39 Ų3966.3 Ų66.332%0.32239%0.392SS..  trans-53.3134.4170.700000110.5E100A2-E100 PolarHBondContact N-OE2 2.96Å
3P67.6Low79.4Confident46 Ų4662 Ų6230%0.29937%0.366SS..  trans-68.5142.2-175.626.4-34.2000111.3N5 A6 M9 Y96 L98P3-N5 PolarHBondContact O-N 3.31Å; P3-A6 HydrophobicContact CG-CB 4.22Å; P3-A6 VanDerWaalsContact O-CB 3.26Å; P3-A6 WeakPolarHBondContact O-CB 3.36Å; P3-A6 PolarHBondContact O-N 3.32Å; P3-M9 HydrophobicContact CG-SD 4.43Å; P3-Y96 WeakPolarHBondContact CD-O 3.32Å; P3-L98 HydrophobicContact CG-CD1 4.45Å
4S72Confident80.3Confident121 Ų12157.6 Ų57.685%0.84634%0.34SS*.THydrogen-bonded Turntrans-53.4-26.5-179.458.90000114.1
5N82.4Confident81.1Confident110 Ų11057.5 Ų57.559%0.58834%0.343SS*.THydrogen-bonded Turntrans-101.716.5-175.5-57.97.7000112.5P3 L7 C8 M9P3-N5 PolarHBondContact O-N 3.31Å; N5-L7 VanDerWaalsContact C-N 3.26Å; N5-L7 PolarHBondContact O-N 2.79Å; N5-L7 VanDerWaalsContact O-N 3.17Å; N5-C8 PolarHBondContact O-N 3Å; N5-C8 VanDerWaalsContact O-N 3.1Å; N5-M9 PolarHBondContact O-N 2.86Å
6A84Confident81.8Confident8 Ų858.9 Ų58.97%0.06635%0.348CS..Hα-helixtrans-50.3-40.7-175.800000113.8P3 M9 I10 V57 L98P3-A6 HydrophobicContact CG-CB 4.22Å; P3-A6 VanDerWaalsContact O-CB 3.26Å; P3-A6 WeakPolarHBondContact O-CB 3.36Å; P3-A6 PolarHBondContact O-N 3.32Å; A6-M9 WeakPolarHBondContact O-CB 3.25Å; A6-M9 PolarHBondContact O-N 3.43Å; A6-M9 VanDerWaalsContact O-N 3.14Å; A6-I10 WeakPolarHBondContact O-CG1 3.42Å; A6-I10 PolarHBondContact O-N 3.22Å; A6-V57 HydrophobicContact CB-CB 4.44Å; A6-V57 HydrophobicContact CB-CG2 3.68Å; A6-L98 HydrophobicContact CB-CD2 4.01Å; A6-L98 HydrophobicContact CB-CG 4.21Å
7L85.9Confident82.5Confident26 Ų2655.5 Ų55.514%0.13633%0.328CS..Hα-helixtrans-62.4-46.5179.7-168.576.7000111.8N5 M9 I10 Q11 L51 A54 V57 L60N5-L7 VanDerWaalsContact C-N 3.26Å; N5-L7 PolarHBondContact O-N 2.79Å; N5-L7 VanDerWaalsContact O-N 3.17Å; L7-M9 PolarHBondContact O-N 3.03Å; L7-I10 PolarHBondContact O-N 2.86Å; L7-Q11 WeakPolarHBondContact O-CG 3.22Å; L7-Q11 PolarHBondContact O-N 3.43Å; L7-L51 HydrophobicContact CD1-CD2 3.76Å; L7-A54 HydrophobicContact CD1-CB 4.32Å; L7-A54 WeakPolarHBondContact CD2-O 3.34Å; L7-V57 HydrophobicContact CB-CG2 4Å; L7-V57 HydrophobicContact CD1-CG2 4.08Å; L7-L60 HydrophobicContact CD1-CD1 4.32Å
8C86.1Confident82.8Confident76 Ų7652.7 Ų52.751%0.51431%0.311SS..Hα-helixtrans-64.9-31175.6-60.40000111.9N5 Q11 S12N5-C8 PolarHBondContact O-N 3Å; N5-C8 VanDerWaalsContact O-N 3.1Å; C8-Q11 PolarHBondContact O-N 3.24Å; C8-S12 WeakPolarHBondContact O-CB 3.41Å; C8-S12 PolarHBondContact O-N 3.47Å
9M88.9Confident83.1Confident58 Ų5854.1 Ų54.129%0.28632%0.32SS..Hα-helixtrans-63.1-50.7175.2-144.3172.1-142.800110.7P3 N5 A6 L7 Q11 S12 E13 Y96P3-M9 HydrophobicContact CG-SD 4.43Å; N5-M9 PolarHBondContact O-N 2.86Å; A6-M9 WeakPolarHBondContact O-CB 3.25Å; A6-M9 PolarHBondContact O-N 3.43Å; A6-M9 VanDerWaalsContact O-N 3.14Å; L7-M9 PolarHBondContact O-N 3.03Å; M9-Q11 PolarHBondContact O-N 3.25Å; M9-S12 PolarHBondContact O-N 3.48Å; M9-S12 PolarHBondContact O-OG 3.45Å; M9-E13 PolarHBondContact O-N 3.25Å; M9-Y96 HydrophobicContact CE-CD2 3.54Å; M9-Y96 HydrophobicContact CE-CE2 3.26Å; M9-Y96 HydrophobicContact CE-CG 4.32Å; M9-Y96 HydrophobicContact SD-CD2 3.43Å; M9-Y96 WeakPolarHBondContact SD-CD2 3.48Å; M9-Y96 HydrophobicContact SD-CE2 3.74Å; M9-Y96 HydrophobicContact SD-CG 4.29Å
10I89.5Confident83.4Confident0 Ų052.2 Ų52.20%031%0.311CS..Hα-helixtrans-61.9-45.1175.7-56.9167.8000110.7A6 L7 S12 E13 V14 L51 V57 Y65 F93 L98A6-I10 WeakPolarHBondContact O-CG1 3.42Å; A6-I10 PolarHBondContact O-N 3.22Å; L7-I10 PolarHBondContact O-N 2.86Å; I10-S12 PolarHBondContact O-N 2.8Å; I10-E13 PolarHBondContact O-N 3.44Å; I10-V14 HydrophobicContact CG2-CG2 4.27Å; I10-V14 WeakPolarHBondContact O-CB 3.45Å; I10-V14 WeakPolarHBondContact O-CG2 3.37Å; I10-V14 PolarHBondContact O-N 2.88Å; I10-L51 HydrophobicContact CB-CD1 4.42Å; I10-L51 HydrophobicContact CB-CD2 4.41Å; I10-L51 HydrophobicContact CG2-CD1 3.64Å; I10-L51 HydrophobicContact CG2-CD2 4.07Å; I10-V57 HydrophobicContact CD1-CG1 4.01Å; I10-V57 HydrophobicContact CD1-CG2 3.81Å; I10-Y65 HydrophobicContact CD1-CD1 4.2Å; I10-Y65 HydrophobicContact CD1-CD2 3.86Å; I10-Y65 HydrophobicContact CD1-CE1 4.45Å; I10-Y65 HydrophobicContact CD1-CE2 4.16Å; I10-Y65 HydrophobicContact CD1-CG 3.9Å; I10-F93 HydrophobicContact CB-CE1 4.49Å; I10-F93 HydrophobicContact CB-CZ 4.42Å; I10-F93 HydrophobicContact CG1-CD1 4.46Å; I10-F93 HydrophobicContact CG1-CE1 3.96Å; I10-F93 HydrophobicContact CG1-CZ 4.17Å; I10-F93 HydrophobicContact CG2-CZ 4.26Å; I10-L98 HydrophobicContact CD1-CD2 3.87Å; I10-L98 HydrophobicContact CG1-CD2 4.03Å
11Q89.7Confident83.5Confident53 Ų5350.8 Ų50.825%0.24830%0.302CS..Hα-helixtrans-57.3-35.4175.9-73.8173.7-16.400112.9L7 C8 M9 S15 L51L7-Q11 WeakPolarHBondContact O-CG 3.22Å; L7-Q11 PolarHBondContact O-N 3.43Å; C8-Q11 PolarHBondContact O-N 3.24Å; M9-Q11 PolarHBondContact O-N 3.25Å; Q11-S15 WeakPolarHBondContact O-CB 3.36Å; Q11-S15 PolarHBondContact O-N 3.4Å; Q11-S15 PolarHBondContact O-OG 3.23Å; Q11-L51 HydrophobicContact CG-CB 3.97Å; Q11-L51 HydrophobicContact CG-CD1 4.34Å; Q11-L51 PolarHBondContact NE2-O 3.46Å
12S91.6Very high85.5Confident63 Ų6347.4 Ų47.444%0.44128%0.278SS..Hα-helixtrans-69-44.7177.576.80000112.3C8 M9 I10 S15 L16C8-S12 WeakPolarHBondContact O-CB 3.41Å; C8-S12 PolarHBondContact O-N 3.47Å; M9-S12 PolarHBondContact O-N 3.48Å; M9-S12 PolarHBondContact O-OG 3.45Å; I10-S12 PolarHBondContact O-N 2.8Å; S12-S15 PolarHBondContact O-N 3.25Å; S12-L16 PolarHBondContact O-N 3.27Å
13E94Very high86.5Confident11 Ų1149 Ų495%0.05129%0.286CS..Hα-helixtrans-68.2-38.1177.2-62.3-62.3167.600111.8M9 I10 S15 L16 M17 F69 A89 K92 F93M9-E13 PolarHBondContact O-N 3.25Å; I10-E13 PolarHBondContact O-N 3.44Å; E13-S15 VanDerWaalsContact C-N 3.3Å; E13-S15 PolarHBondContact O-N 2.79Å; E13-L16 WeakPolarHBondContact O-CB 3.3Å; E13-L16 PolarHBondContact O-N 2.98Å; E13-M17 WeakPolarHBondContact O-CB 3.46Å; E13-M17 PolarHBondContact O-N 3.22Å; E13-F69 HydrophobicContact CB-CE1 3.96Å; E13-F69 HydrophobicContact CB-CZ 3.94Å; E13-A89 HydrophobicContact CB-CB 3.92Å; E13-A89 HydrophobicContact CG-CB 3.97Å; E13-K92 WeakPolarHBondContact OE1-CD 3.43Å; E13-K92 IonicContact OE1-NZ 2.92Å; E13-K92 PolarHBondContact OE1-NZ 3.28Å; E13-F93 HydrophobicContact CB-CE1 4.48Å; E13-F93 HydrophobicContact CB-CZ 4.1Å; E13-F93 HydrophobicContact CG-CE1 4.08Å; E13-F93 HydrophobicContact CG-CZ 4.17Å
14V92.9Very high86.8Confident0 Ų048 Ų480%028%0.281CS..Hα-helixtrans-58.4-42.4171.2161.70000111.3I10 M17 L18 F44 L47 R48 L51 F69I10-V14 HydrophobicContact CG2-CG2 4.27Å; I10-V14 WeakPolarHBondContact O-CB 3.45Å; I10-V14 WeakPolarHBondContact O-CG2 3.37Å; I10-V14 PolarHBondContact O-N 2.88Å; V14-M17 PolarHBondContact O-N 2.84Å; V14-L18 HydrophobicContact CG1-CD1 4.09Å; V14-L18 WeakPolarHBondContact O-CB 3.2Å; V14-L18 WeakPolarHBondContact O-CG 3.48Å; V14-L18 PolarHBondContact O-N 2.66Å; V14-F44 HydrophobicContact CB-CD1 4.33Å; V14-F44 HydrophobicContact CG1-CD1 4.13Å; V14-F44 HydrophobicContact CG2-CD1 4.05Å; V14-F44 HydrophobicContact CG2-CE1 4.12Å; V14-L47 HydrophobicContact CG2-CD2 3.77Å; V14-L47 HydrophobicContact CG2-CG 4.23Å; V14-R48 HydrophobicContact CG1-CB 3.93Å; V14-R48 HydrophobicContact CG1-CG 4.26Å; V14-L51 HydrophobicContact CG2-CD1 3.89Å; V14-F69 HydrophobicContact CG2-CE2 3.95Å; V14-F69 HydrophobicContact CG2-CZ 3.73Å
15S91.5Very high86.4Confident56 Ų5646.4 Ų46.439%0.39226%0.26SS..Hα-helixtrans-70-35.8178.7-59.40000112.2Q11 S12 E13 T19Q11-S15 WeakPolarHBondContact O-CB 3.36Å; Q11-S15 PolarHBondContact O-N 3.4Å; Q11-S15 PolarHBondContact O-OG 3.23Å; S12-S15 PolarHBondContact O-N 3.25Å; E13-S15 VanDerWaalsContact C-N 3.3Å; E13-S15 PolarHBondContact O-N 2.79Å; S15-T19 PolarHBondContact O-N 3.17Å; S15-T19 PolarHBondContact O-OG1 3.17Å
16L93Very high85.4Confident81 Ų8151.3 Ų51.342%0.42427%0.27SS..Hα-helixtrans-64.8-45.4173-164.568.7000111S12 E13 T19 A20 L85S12-L16 PolarHBondContact O-N 3.27Å; E13-L16 WeakPolarHBondContact O-CB 3.3Å; E13-L16 PolarHBondContact O-N 2.98Å; L16-T19 WeakPolarHBondContact O-CB 3.32Å; L16-T19 PolarHBondContact O-N 2.88Å; L16-A20 PolarHBondContact O-N 3.18Å; L16-L85 HydrophobicContact CD2-CD2 4Å
17M92.6Very high83.8Confident0 Ų057.3 Ų57.30%030%0.301CS..Hα-helixtrans-66.9-43.6-179.7-139.658.754.100112.7E13 V14 T19 A20 L21 F44 F69 L85 A86 A89E13-M17 WeakPolarHBondContact O-CB 3.46Å; E13-M17 PolarHBondContact O-N 3.22Å; V14-M17 PolarHBondContact O-N 2.84Å; M17-T19 PolarHBondContact O-N 2.99Å; M17-A20 PolarHBondContact O-N 3.09Å; M17-L21 HydrophobicContact CG-CD1 4.43Å; M17-L21 WeakPolarHBondContact O-CB 3.15Å; M17-L21 WeakPolarHBondContact O-CG 3.43Å; M17-L21 PolarHBondContact O-N 2.72Å; M17-F44 HydrophobicContact CB-CD1 4.32Å; M17-F44 HydrophobicContact CB-CE1 3.86Å; M17-F44 HydrophobicContact CB-CE2 4.33Å; M17-F44 HydrophobicContact CB-CZ 3.87Å; M17-F44 HydrophobicContact CG-CE1 4.16Å; M17-F44 HydrophobicContact CG-CE2 3.92Å; M17-F44 HydrophobicContact CG-CZ 3.63Å; M17-F69 HydrophobicContact CE-CD1 4.06Å; M17-F69 HydrophobicContact CE-CE1 3.92Å; M17-L85 HydrophobicContact CE-CB 3.89Å; M17-L85 HydrophobicContact SD-CB 3.85Å; M17-A86 HydrophobicContact CE-CB 4.31Å; M17-A86 HydrophobicContact SD-CB 4.11Å; M17-A89 HydrophobicContact CE-CB 4.38Å
18L89.2Confident82.1Confident5 Ų559.4 Ų59.43%0.02632%0.317CS..Hα-helixtrans-58-32.8172.7-81.3167.1000112.4V14 R22 L41 F44V14-L18 HydrophobicContact CG1-CD1 4.09Å; V14-L18 WeakPolarHBondContact O-CB 3.2Å; V14-L18 WeakPolarHBondContact O-CG 3.48Å; V14-L18 PolarHBondContact O-N 2.66Å; L18-R22 VanDerWaalsContact O-CD 3.3Å; L18-R22 WeakPolarHBondContact O-CD 3.1Å; L18-R22 VanDerWaalsContact O-CG 3.24Å; L18-R22 WeakPolarHBondContact O-CG 3.15Å; L18-R22 PolarHBondContact O-N 2.9Å; L18-L41 HydrophobicContact CD2-CD1 4.4Å; L18-L41 HydrophobicContact CD2-CG 4.34Å; L18-F44 HydrophobicContact CD1-CB 4.45Å; L18-F44 HydrophobicContact CD2-CB 3.72Å; L18-F44 HydrophobicContact CG-CB 3.88Å
19T88.2Confident79.8Confident79 Ų7964.9 Ų64.949%0.48533%0.333SS..Hα-helixtrans-75.4-45.7175.9-550000111S15 L16 M17 R22 C23S15-T19 PolarHBondContact O-N 3.17Å; S15-T19 PolarHBondContact O-OG1 3.17Å; L16-T19 WeakPolarHBondContact O-CB 3.32Å; L16-T19 PolarHBondContact O-N 2.88Å; M17-T19 PolarHBondContact O-N 2.99Å; T19-R22 PolarHBondContact O-N 2.87Å; T19-C23 WeakPolarHBondContact O-CB 3.48Å; T19-C23 PolarHBondContact O-N 3.42Å; T19-C23 PolarHBondContact O-SG 3.12Å; T19-C23 VanDerWaalsContact O-SG 3.39Å
20A87.9Confident77.2Confident16 Ų1672.7 Ų72.713%0.13236%0.359CS..Hα-helixtrans-61.9-45.8179.100000112.8L16 M17 R22 C23 S24 V82 L85L16-A20 PolarHBondContact O-N 3.18Å; M17-A20 PolarHBondContact O-N 3.09Å; A20-R22 PolarHBondContact O-N 2.99Å; A20-C23 PolarHBondContact O-N 2.71Å; A20-S24 WeakPolarHBondContact O-CB 3.27Å; A20-S24 PolarHBondContact O-N 2.95Å; A20-V82 HydrophobicContact CB-CG1 4.5Å; A20-V82 HydrophobicContact CB-CG2 4.36Å; A20-L85 HydrophobicContact CB-CD1 3.73Å
21L86.3Confident74.6Confident23 Ų2380.2 Ų80.212%0.1240%0.396CS..Hα-helixtrans-59.7-45177.7-73.9164.6000111.8M17 H25 L40 L41 F44 V72 V82M17-L21 HydrophobicContact CG-CD1 4.43Å; M17-L21 WeakPolarHBondContact O-CB 3.15Å; M17-L21 WeakPolarHBondContact O-CG 3.43Å; M17-L21 PolarHBondContact O-N 2.72Å; L21-H25 PolarHBondContact O-N 2.83Å; L21-L40 HydrophobicContact CD2-CD1 4.43Å; L21-L41 HydrophobicContact CB-CD1 3.8Å; L21-L41 HydrophobicContact CD1-CD1 4.35Å; L21-F44 HydrophobicContact CD1-CD2 3.93Å; L21-F44 HydrophobicContact CD1-CE2 4.27Å; L21-V72 HydrophobicContact CD1-CG2 4.35Å; L21-V72 HydrophobicContact CD2-CG2 4.31Å; L21-V82 HydrophobicContact CD2-CG1 3.88Å; L21-V82 HydrophobicContact CG-CG1 4.22Å
22R84.1Confident72.3Confident124 Ų12489.2 Ų89.247%0.46843%0.43SS..Hα-helixtrans-63.8-42.9175.5-72.8171.5178.1163.5-1.6112.4L18 T19 A20 L41L18-R22 VanDerWaalsContact O-CD 3.3Å; L18-R22 WeakPolarHBondContact O-CD 3.1Å; L18-R22 VanDerWaalsContact O-CG 3.24Å; L18-R22 WeakPolarHBondContact O-CG 3.15Å; L18-R22 PolarHBondContact O-N 2.9Å; T19-R22 PolarHBondContact O-N 2.87Å; A20-R22 PolarHBondContact O-N 2.99Å; R22-L41 HydrophobicContact CG-CD1 4.28Å
23C79.1Confident69.9Low73 Ų7393.6 Ų93.649%0.49344%0.443SS..Hα-helixtrans-68.8-45.2-179.7-74.50000112.3T19 A20 H25 R26T19-C23 WeakPolarHBondContact O-CB 3.48Å; T19-C23 PolarHBondContact O-N 3.42Å; T19-C23 PolarHBondContact O-SG 3.12Å; T19-C23 VanDerWaalsContact O-SG 3.39Å; A20-C23 PolarHBondContact O-N 2.71Å; C23-H25 PolarHBondContact O-N 2.98Å; C23-R26 PolarHBondContact O-N 3.42Å; C23-R26 VanDerWaalsContact O-N 3.11Å
24S73.3Confident67.7Low25 Ų2598.2 Ų98.218%0.17547%0.468CS..Hα-helixtrans-57.7-35.2179.1-1720000112A20 N27 T79A20-S24 WeakPolarHBondContact O-CB 3.27Å; A20-S24 PolarHBondContact O-N 2.95Å; S24-N27 PolarHBondContact O-N 2.71Å; S24-T79 WeakPolarHBondContact OG-CG2 3.44Å; S24-T79 PolarHBondContact OG-OG1 2.82Å
25H63.3Low65.8Low88 Ų88103.3 Ų103.341%0.40750%0.495SS..Hα-helixtrans-81.1-11.7-178.3-134.878.3000114.7L21 C23 N27 R38L21-H25 PolarHBondContact O-N 2.83Å; C23-H25 PolarHBondContact O-N 2.98Å; H25-N27 VanDerWaalsContact C-N 3.3Å; H25-R38 PolarHBondContact CD2-NH1 3Å; H25-R38 VanDerWaalsContact CD2-NH1 3.28Å; H25-R38 PolarHBondContact CD2-NH2 3.46Å; H25-R38 PolarHBondContact CE1-NH1 2.87Å; H25-R38 PolarHBondContact ND1-NH1 3.29Å; H25-R38 PolarHBondContact NE2-NH1 2.88Å; H25-R38 PolarHBondContact NE2-NH2 2.84Å
26R62.1Low63.8Low213 Ų213103.8 Ų103.880%0.80450%0.499SS*.Hα-helixtrans-74.8-19.5171.2-70.3-179.573.6175.33.6113.1C23C23-R26 PolarHBondContact O-N 3.42Å; C23-R26 VanDerWaalsContact O-N 3.11Å
27N50.3Low61.9Low134 Ų134107.9 Ų107.972%0.71751%0.513SS*.SBendtrans-89.2-18.7178.9-73.2-4000113.4S24 H25 F29S24-N27 PolarHBondContact O-N 2.71Å; H25-N27 VanDerWaalsContact C-N 3.3Å; N27-F29 PolarHBondContact O-N 3.36Å
28S50.8Low60.7Low69 Ų69111.3 Ų111.348%0.48353%0.526SS..SBendtrans-73.189.2172.1-64.30000110.3R30S28-R30 PolarHBondContact O-N 3.48Å
29F36.8Very low60.3Low192 Ų192115.5 Ų115.584%0.84255%0.554SS**  trans-57.8129.9-177.5-103.6-104.3000112.6N27N27-F29 PolarHBondContact O-N 3.36Å
30R35.8Very low60.2Low222 Ų222113.1 Ų113.184%0.83854%0.538SS*.SBendtrans67.187.5174.2-59178.5168.3-170.4-2.7116.8S28S28-R30 PolarHBondContact O-N 3.48Å
31M33.3Very low60.1Low158 Ų158113.3 Ų113.378%0.77854%0.537SS*.  -162139.7117.9-97.5-48.5101.800110.9Q33M31-Q33 PolarHBondContact O-N 3.31Å
32Y41.4Very low60.1Low242 Ų242116.7 Ų116.795%0.94955%0.554SS**  trans-84.4100.3166.8-83.4-91000108.9
33Q42.1Very low60.3Low155 Ų155111.7 Ų111.772%0.72454%0.538SS*.  trans-136.3144.9161.5-77.7-162.20.900110.8M31M31-Q33 PolarHBondContact O-N 3.31Å
34D48Very low60.9Low107 Ų107108.2 Ų108.257%0.57252%0.515SS*.  trans-61138.1-168.8-173.512.8000113.5S36D34-S36 PolarHBondContact O-N 3.34Å; D34-S36 PolarHBondContact OD1-N 3.42Å; D34-S36 WeakPolarHBondContact OD2-CB 3.44Å; D34-S36 PolarHBondContact OD2-OG 3Å
35D52Low61.6Low107 Ų107109.4 Ų109.457%0.57252%0.519SS*.G310 helixtrans-62.4-22178.5-89.1-30.4000112.1K37D35-K37 PolarHBondContact O-N 3.36Å; D35-K37 VanDerWaalsContact O-N 3.14Å
36S50.6Low62.9Low67 Ų67111.3 Ų111.347%0.46953%0.528SS..G310 helixtrans-62.3-16.5-177.5720000115.6D34D34-S36 PolarHBondContact O-N 3.34Å; D34-S36 PolarHBondContact OD1-N 3.42Å; D34-S36 WeakPolarHBondContact OD2-CB 3.44Å; D34-S36 PolarHBondContact OD2-OG 3Å
37K51.8Low64.3Low166 Ų166101.3 Ų101.372%0.72249%0.491SS*.G310 helixtrans-107.68.3-170.5-66.5-167.5176.2-175.30115.9D35 P39D35-K37 PolarHBondContact O-N 3.36Å; D35-K37 VanDerWaalsContact O-N 3.14Å; K37-P39 WeakPolarHBondContact O-CD 3.37Å
38R68.4Low66.2Low72 Ų7299.8 Ų99.827%0.27248%0.475SS..  trans-95.9110.7-171.6-67.8170.9177.7-912.8111.3H25 L40 L41 L42H25-R38 PolarHBondContact CD2-NH1 3Å; H25-R38 VanDerWaalsContact CD2-NH1 3.28Å; H25-R38 PolarHBondContact CD2-NH2 3.46Å; H25-R38 PolarHBondContact CE1-NH1 2.87Å; H25-R38 PolarHBondContact ND1-NH1 3.29Å; H25-R38 PolarHBondContact NE2-NH1 2.88Å; H25-R38 PolarHBondContact NE2-NH2 2.84Å; R38-L40 PolarHBondContact O-N 2.87Å; R38-L41 HydrophobicContact CB-CB 4.05Å; R38-L41 PolarHBondContact O-N 3.14Å; R38-L42 PolarHBondContact O-N 2.89Å
39P81.3Confident68Low94 Ų9499.6 Ų99.661%0.6147%0.474SS*.Hα-helixtrans-59.6-46.4-17020.8-31.9000113.1K37 L41 L42 S43K37-P39 WeakPolarHBondContact O-CD 3.37Å; P39-L41 VanDerWaalsContact C-N 3.28Å; P39-L41 PolarHBondContact O-N 3.37Å; P39-L42 WeakPolarHBondContact O-CA 3.41Å; P39-L42 WeakPolarHBondContact O-CB 3.4Å; P39-L42 PolarHBondContact O-N 3Å; P39-L42 VanDerWaalsContact O-N 3.08Å; P39-S43 PolarHBondContact O-N 2.86Å; P39-S43 PolarHBondContact O-OG 3.11Å
40L86Confident70.5Confident28 Ų2893.5 Ų93.515%0.14745%0.45CS..Hα-helixtrans-59.5-35.4176.5-60.6175.6000113.1L21 R38 S43 F44 E71 V72 T78L21-L40 HydrophobicContact CD2-CD1 4.43Å; R38-L40 PolarHBondContact O-N 2.87Å; L40-S43 PolarHBondContact O-OG 3.44Å; L40-F44 WeakPolarHBondContact O-CD2 3.46Å; L40-F44 PolarHBondContact O-N 3.32Å; L40-E71 HydrophobicContact CD2-CB 3.54Å; L40-V72 HydrophobicContact CD1-CG2 4.27Å; L40-V72 HydrophobicContact CD2-CG2 4.09Å; L40-T78 HydrophobicContact CD1-CG2 3.98Å
41L85.4Confident72.9Confident21 Ų2183 Ų8311%0.1141%0.41CS..Hα-helixtrans-75.9-30.8178.7-141.783.7000111.2L18 L21 R22 R38 P39 N45L18-L41 HydrophobicContact CD2-CD1 4.4Å; L18-L41 HydrophobicContact CD2-CG 4.34Å; L21-L41 HydrophobicContact CB-CD1 3.8Å; L21-L41 HydrophobicContact CD1-CD1 4.35Å; R22-L41 HydrophobicContact CG-CD1 4.28Å; R38-L41 HydrophobicContact CB-CB 4.05Å; R38-L41 PolarHBondContact O-N 3.14Å; P39-L41 VanDerWaalsContact C-N 3.28Å; P39-L41 PolarHBondContact O-N 3.37Å; L41-N45 PolarHBondContact O-N 3.17Å; L41-N45 PolarHBondContact O-ND2 2.73Å
42L86.2Confident75.5Confident94 Ų9480.8 Ų80.849%0.49240%0.401SS..Hα-helixtrans-68-51.5171.9-85.4158.6000111.3R38 P39 F44 N45 Q46R38-L42 PolarHBondContact O-N 2.89Å; P39-L42 WeakPolarHBondContact O-CA 3.41Å; P39-L42 WeakPolarHBondContact O-CB 3.4Å; P39-L42 PolarHBondContact O-N 3Å; P39-L42 VanDerWaalsContact O-N 3.08Å; L42-F44 VanDerWaalsContact C-N 3.34Å; L42-F44 PolarHBondContact O-N 3.03Å; L42-N45 PolarHBondContact O-N 3.47Å; L42-Q46 WeakPolarHBondContact O-CB 3.16Å; L42-Q46 PolarHBondContact O-N 2.88Å
43S88.8Confident77.7Confident19 Ų1975 Ų7513%0.13339%0.391CS..Hα-helixtrans-60.7-40.1-176.564.10000112.2P39 L40 Q46 L47 E71P39-S43 PolarHBondContact O-N 2.86Å; P39-S43 PolarHBondContact O-OG 3.11Å; L40-S43 PolarHBondContact O-OG 3.44Å; S43-Q46 PolarHBondContact O-N 3.47Å; S43-L47 WeakPolarHBondContact O-CB 3.34Å; S43-L47 PolarHBondContact O-N 3.38Å; S43-E71 VanDerWaalsContact CB-OE2 3.24Å; S43-E71 WeakPolarHBondContact CB-OE2 3.23Å; S43-E71 PolarHBondContact OG-OE2 3.38Å
44F92.1Very high79.6Confident0 Ų068.5 Ų68.50%036%0.364CS..Hα-helixtrans-68.2-34.9171.8-88.2-74.5000114.9V14 M17 L18 L21 L40 L42 R48 P68 F69 V72V14-F44 HydrophobicContact CB-CD1 4.33Å; V14-F44 HydrophobicContact CG1-CD1 4.13Å; V14-F44 HydrophobicContact CG2-CD1 4.05Å; V14-F44 HydrophobicContact CG2-CE1 4.12Å; M17-F44 HydrophobicContact CB-CD1 4.32Å; M17-F44 HydrophobicContact CB-CE1 3.86Å; M17-F44 HydrophobicContact CB-CE2 4.33Å; M17-F44 HydrophobicContact CB-CZ 3.87Å; M17-F44 HydrophobicContact CG-CE1 4.16Å; M17-F44 HydrophobicContact CG-CE2 3.92Å; M17-F44 HydrophobicContact CG-CZ 3.63Å; L18-F44 HydrophobicContact CD1-CB 4.45Å; L18-F44 HydrophobicContact CD2-CB 3.72Å; L18-F44 HydrophobicContact CG-CB 3.88Å; L21-F44 HydrophobicContact CD1-CD2 3.93Å; L21-F44 HydrophobicContact CD1-CE2 4.27Å; L40-F44 WeakPolarHBondContact O-CD2 3.46Å; L40-F44 PolarHBondContact O-N 3.32Å; L42-F44 VanDerWaalsContact C-N 3.34Å; L42-F44 PolarHBondContact O-N 3.03Å; F44-R48 VanDerWaalsContact O-CB 3.3Å; F44-R48 WeakPolarHBondContact O-CB 3.4Å; F44-R48 PolarHBondContact O-N 3.3Å; F44-P68 HydrophobicContact CD1-CB 4.15Å; F44-P68 HydrophobicContact CD2-CB 3.9Å; F44-P68 HydrophobicContact CE1-CB 4.04Å; F44-P68 HydrophobicContact CE2-CB 3.76Å; F44-P68 WeakPolarHBondContact CE2-O 3.43Å; F44-P68 HydrophobicContact CG-CB 4.09Å; F44-P68 HydrophobicContact CZ-CB 3.84Å; F44-F69 AromaticContact CE1-CD1 3.98Å; F44-F69 HydrophobicContact CE1-CD1 3.98Å; F44-F69 HydrophobicContact CE1-CD2 4.04Å; F44-F69 AromaticContact CE1-CE1 3.78Å; F44-F69 HydrophobicContact CE1-CE1 3.78Å; F44-F69 AromaticContact CE1-CE2 3.85Å; F44-F69 HydrophobicContact CE1-CE2 3.85Å; F44-F69 HydrophobicContact CE1-CG 4.12Å; F44-F69 AromaticContact CE1-CZ 3.73Å; F44-F69 HydrophobicContact CE1-CZ 3.73Å; F44-F69 HydrophobicContact CZ-CB 4.43Å; F44-F69 AromaticContact CZ-CD1 3.74Å; F44-F69 HydrophobicContact CZ-CD1 3.74Å; F44-F69 HydrophobicContact CZ-CD2 4.14Å; F44-F69 HydrophobicContact CZ-CE1 4Å; F44-F69 HydrophobicContact CZ-CE2 4.38Å; F44-F69 AromaticContact CZ-CG 3.82Å; F44-F69 HydrophobicContact CZ-CG 3.82Å; F44-F69 HydrophobicContact CZ-CZ 4.33Å; F44-V72 HydrophobicContact CE2-CG2 3.71Å
45N88Confident81.1Confident49 Ų4972 Ų7226%0.26237%0.374SS..Hα-helixtrans-70.8-33.8174.2-84.2-69.3000112L41 L42 R48 S49L41-N45 PolarHBondContact O-N 3.17Å; L41-N45 PolarHBondContact O-ND2 2.73Å; L42-N45 PolarHBondContact O-N 3.47Å; N45-R48 PolarHBondContact O-N 3.05Å; N45-R48 PolarHBondContact OD1-NH2 3.42Å; N45-S49 PolarHBondContact O-N 3Å; N45-S49 VanDerWaalsContact O-N 3.11Å
46Q89.7Confident82.5Confident128 Ų12869.1 Ų69.160%0.59836%0.362SS*.Hα-helixtrans-70.4-44.9176.3-164.11707.400111.1L42 S43 R48 S49 I50L42-Q46 WeakPolarHBondContact O-CB 3.16Å; L42-Q46 PolarHBondContact O-N 2.88Å; S43-Q46 PolarHBondContact O-N 3.47Å; Q46-R48 VanDerWaalsContact C-N 3.3Å; Q46-R48 PolarHBondContact O-N 2.89Å; Q46-S49 PolarHBondContact O-N 3.43Å; Q46-S49 VanDerWaalsContact O-N 3.12Å; Q46-S49 PolarHBondContact O-OG 3.25Å; Q46-I50 WeakPolarHBondContact O-CG1 3.28Å; Q46-I50 PolarHBondContact O-N 2.88Å; Q46-I50 VanDerWaalsContact O-N 3.17Å
47L91.4Very high83.8Confident4 Ų466.4 Ų66.42%0.02134%0.342CS..Hα-helixtrans-59.3-41170.317457000111.8V14 S43 S49 I50 L51 Y65 P68 F69V14-L47 HydrophobicContact CG2-CD2 3.77Å; V14-L47 HydrophobicContact CG2-CG 4.23Å; S43-L47 WeakPolarHBondContact O-CB 3.34Å; S43-L47 PolarHBondContact O-N 3.38Å; L47-S49 VanDerWaalsContact C-N 3.26Å; L47-S49 PolarHBondContact O-N 3.34Å; L47-I50 PolarHBondContact O-N 2.96Å; L47-L51 HydrophobicContact CD1-CD1 3.79Å; L47-L51 HydrophobicContact CD1-CD2 4.39Å; L47-L51 HydrophobicContact CD1-CG 3.75Å; L47-L51 HydrophobicContact CD2-CD1 4.33Å; L47-L51 HydrophobicContact CG-CD1 3.72Å; L47-L51 HydrophobicContact CG-CG 4.19Å; L47-L51 WeakPolarHBondContact O-CB 3.22Å; L47-L51 WeakPolarHBondContact O-CG 3.3Å; L47-L51 PolarHBondContact O-N 2.79Å; L47-Y65 WeakPolarHBondContact CD2-O 3.42Å; L47-P68 HydrophobicContact CB-CG 4.08Å; L47-P68 HydrophobicContact CD2-CB 4.39Å; L47-P68 HydrophobicContact CD2-CG 3.85Å; L47-F69 HydrophobicContact CD2-CE2 4.2Å
48R90.4Very high85Confident101 Ų10165.4 Ų65.438%0.38135%0.345SS..Hα-helixtrans-63.3-29.2176.3-168.4171.861.7134.51.8113.1V14 F44 N45 Q46 N52V14-R48 HydrophobicContact CG1-CB 3.93Å; V14-R48 HydrophobicContact CG1-CG 4.26Å; F44-R48 VanDerWaalsContact O-CB 3.3Å; F44-R48 WeakPolarHBondContact O-CB 3.4Å; F44-R48 PolarHBondContact O-N 3.3Å; N45-R48 PolarHBondContact O-N 3.05Å; N45-R48 PolarHBondContact OD1-NH2 3.42Å; Q46-R48 VanDerWaalsContact C-N 3.3Å; Q46-R48 PolarHBondContact O-N 2.89Å; R48-N52 PolarHBondContact O-N 3.25Å; R48-N52 PolarHBondContact O-ND2 3.01Å; R48-N52 PolarHBondContact O-OD1 3.15Å
49S88.4Confident85.6Confident66 Ų6667.3 Ų67.346%0.46236%0.357SS..Hα-helixtrans-73.9-39173.273.30000111.9N45 Q46 L47 N52N45-S49 PolarHBondContact O-N 3Å; N45-S49 VanDerWaalsContact O-N 3.11Å; Q46-S49 PolarHBondContact O-N 3.43Å; Q46-S49 VanDerWaalsContact O-N 3.12Å; Q46-S49 PolarHBondContact O-OG 3.25Å; L47-S49 VanDerWaalsContact C-N 3.26Å; L47-S49 PolarHBondContact O-N 3.34Å; S49-N52 PolarHBondContact O-N 3.37Å
50I89.5Confident85.7Confident64 Ų6464.1 Ų64.133%0.32834%0.335SS..Hα-helixtrans-63.2-49175.9-63.6166.4000111Q46 L47 N52 V53 A54 L60 V64Q46-I50 WeakPolarHBondContact O-CG1 3.28Å; Q46-I50 PolarHBondContact O-N 2.88Å; Q46-I50 VanDerWaalsContact O-N 3.17Å; L47-I50 PolarHBondContact O-N 2.96Å; I50-N52 PolarHBondContact O-N 2.89Å; I50-N52 VanDerWaalsContact O-N 3.15Å; I50-V53 PolarHBondContact O-N 3.11Å; I50-A54 PolarHBondContact O-N 2.88Å; I50-L60 HydrophobicContact CG2-CD2 3.62Å; I50-V64 HydrophobicContact CD1-CG1 4.08Å; I50-V64 HydrophobicContact CG2-CG1 4.26Å
51L86.8Confident85.6Confident1 Ų168.4 Ų68.41%0.00535%0.354CS..THydrogen-bonded Turntrans-64.1-16.7178.5-71.1169.6000114L7 I10 Q11 V14 L47 L60L7-L51 HydrophobicContact CD1-CD2 3.76Å; I10-L51 HydrophobicContact CB-CD1 4.42Å; I10-L51 HydrophobicContact CB-CD2 4.41Å; I10-L51 HydrophobicContact CG2-CD1 3.64Å; I10-L51 HydrophobicContact CG2-CD2 4.07Å; Q11-L51 HydrophobicContact CG-CB 3.97Å; Q11-L51 HydrophobicContact CG-CD1 4.34Å; Q11-L51 PolarHBondContact NE2-O 3.46Å; V14-L51 HydrophobicContact CG2-CD1 3.89Å; L47-L51 HydrophobicContact CD1-CD1 3.79Å; L47-L51 HydrophobicContact CD1-CD2 4.39Å; L47-L51 HydrophobicContact CD1-CG 3.75Å; L47-L51 HydrophobicContact CD2-CD1 4.33Å; L47-L51 HydrophobicContact CG-CD1 3.72Å; L47-L51 HydrophobicContact CG-CG 4.19Å; L47-L51 WeakPolarHBondContact O-CB 3.22Å; L47-L51 WeakPolarHBondContact O-CG 3.3Å; L47-L51 PolarHBondContact O-N 2.79Å; L51-L60 HydrophobicContact CD2-CD1 3.78Å
52N86.7Confident85.8Confident112 Ų11268.1 Ų68.160%0.59935%0.353SS*.THydrogen-bonded Turntrans-86.4-6.8175.2-75.1-3.3000113.1R48 S49 I50R48-N52 PolarHBondContact O-N 3.25Å; R48-N52 PolarHBondContact O-ND2 3.01Å; R48-N52 PolarHBondContact O-OD1 3.15Å; S49-N52 PolarHBondContact O-N 3.37Å; I50-N52 PolarHBondContact O-N 2.89Å; I50-N52 VanDerWaalsContact O-N 3.15Å
53V87.8Confident85.9Confident121 Ų12165.8 Ų65.873%0.73334%0.341SS*.THydrogen-bonded Turntrans-113.2-31.7-177.4179.70000112.3I50I50-V53 PolarHBondContact O-N 3.11Å
54A83Confident86Confident18 Ų1867.5 Ų67.515%0.14935%0.351CS..  trans-65.3143.8175.100000112.3L7 I50 L60L7-A54 HydrophobicContact CD1-CB 4.32Å; L7-A54 WeakPolarHBondContact CD2-O 3.34Å; I50-A54 PolarHBondContact O-N 2.88Å; A54-L60 HydrophobicContact CB-CD1 3.86Å; A54-L60 HydrophobicContact CB-CD2 4.1Å; A54-L60 HydrophobicContact CB-CG 3.93Å
55K79.7Confident85.9Confident180 Ų18067.7 Ų67.778%0.78335%0.352SS*.SBendtrans-91.9-30.4176.6-60.4172.9-178.6168.90112.4E59K55-E59 WeakPolarHBondContact CA-OE2 3.44Å; K55-E59 WeakPolarHBondContact CB-OE2 3.28Å; K55-E59 PolarHBondContact N-OE2 3.27Å
56S79.5Confident86.2Confident46 Ų4665.5 Ų65.532%0.32234%0.34SS..SBendtrans-144.5159.417481.90000111.5N58 E59S56-N58 PolarHBondContact O-N 2.88Å; S56-N58 PolarHBondContact OG-N 3.25Å; S56-E59 PolarHBondContact N-OE2 2.88Å; S56-E59 PolarHBondContact O-N 3.45Å
57V79.3Confident86.4Confident10 Ų1062.1 Ų62.16%0.06133%0.328CS..G310 helixtrans-64.4-28.1175.6-177.40000111.3A6 L7 I10 E59 L60 Y65 L98A6-V57 HydrophobicContact CB-CB 4.44Å; A6-V57 HydrophobicContact CB-CG2 3.68Å; L7-V57 HydrophobicContact CB-CG2 4Å; L7-V57 HydrophobicContact CD1-CG2 4.08Å; I10-V57 HydrophobicContact CD1-CG1 4.01Å; I10-V57 HydrophobicContact CD1-CG2 3.81Å; V57-E59 PolarHBondContact O-N 2.91Å; V57-E59 VanDerWaalsContact O-N 3.15Å; V57-L60 WeakPolarHBondContact O-CB 3.32Å; V57-L60 PolarHBondContact O-N 3.36Å; V57-Y65 HydrophobicContact CG1-CD1 4.21Å; V57-Y65 HydrophobicContact CG1-CE1 3.51Å; V57-L98 HydrophobicContact CG1-CD2 4.45Å
58N77.5Confident86.5Confident145 Ų14562.3 Ų62.378%0.77533%0.329SS*.G310 helixtrans-69.3-9.6179.1-56.812.1000113.5S56S56-N58 PolarHBondContact O-N 2.88Å; S56-N58 PolarHBondContact OG-N 3.25Å
59E79.9Confident86.8Confident113 Ų11357.5 Ų57.553%0.52831%0.311SS..G310 helixtrans-87.4-8.9170.3-63174.7149.100112.4K55 S56 V57K55-E59 WeakPolarHBondContact CA-OE2 3.44Å; K55-E59 WeakPolarHBondContact CB-OE2 3.28Å; K55-E59 PolarHBondContact N-OE2 3.27Å; S56-E59 PolarHBondContact N-OE2 2.88Å; S56-E59 PolarHBondContact O-N 3.45Å; V57-E59 PolarHBondContact O-N 2.91Å; V57-E59 VanDerWaalsContact O-N 3.15Å
60L83.9Confident87Confident27 Ų2754.9 Ų54.914%0.14129%0.292CS..SBendtrans-109.4129.7-177.5-65.1172.6000110.6L7 I50 L51 A54 V57 Y65L7-L60 HydrophobicContact CD1-CD1 4.32Å; I50-L60 HydrophobicContact CG2-CD2 3.62Å; L51-L60 HydrophobicContact CD2-CD1 3.78Å; A54-L60 HydrophobicContact CB-CD1 3.86Å; A54-L60 HydrophobicContact CB-CD2 4.1Å; A54-L60 HydrophobicContact CB-CG 3.93Å; V57-L60 WeakPolarHBondContact O-CB 3.32Å; V57-L60 PolarHBondContact O-N 3.36Å; L60-Y65 HydrophobicContact CB-CD1 4.21Å
61E84.4Confident87.2Confident117 Ų11755.3 Ų55.355%0.54729%0.292SS..  trans-66133.7172.1-172168.4-127.200110L63 V64 S119E61-L63 VanDerWaalsContact C-N 3.28Å; E61-L63 PolarHBondContact O-N 2.93Å; E61-L63 VanDerWaalsContact O-N 3.1Å; E61-V64 HydrophobicContact CB-CG2 4.16Å; E61-V64 VanDerWaalsContact O-CB 3.31Å; E61-V64 WeakPolarHBondContact O-CB 3.19Å; E61-V64 WeakPolarHBondContact O-CG2 3.35Å; E61-V64 PolarHBondContact O-N 3.5Å; E61-S119 WeakPolarHBondContact OE1-CB 3.39Å
62P88Confident87.5Confident15 Ų1555.2 Ų55.210%0.09729%0.292CS..Hα-helixtrans-60.5-33.4-162.8-27.134.9000115.4V64 Y65 L66 L99 A123P62-V64 PolarHBondContact O-N 3.08Å; P62-Y65 HydrophobicContact CB-CE1 4.26Å; P62-Y65 PolarHBondContact O-N 3.14Å; P62-L66 HydrophobicContact CB-CD1 4.33Å; P62-L66 WeakPolarHBondContact O-CB 3.36Å; P62-L66 WeakPolarHBondContact O-CD1 3.3Å; P62-L66 WeakPolarHBondContact O-CG 3.31Å; P62-L66 PolarHBondContact O-N 2.99Å; P62-L66 VanDerWaalsContact O-N 3.13Å; P62-L99 HydrophobicContact CB-CD2 3.56Å; P62-L99 HydrophobicContact CG-CD2 3.87Å; P62-A123 HydrophobicContact CB-CB 3.81Å
63L88.9Confident87.8Confident45 Ų4549.9 Ų49.924%0.23626%0.264CS..Hα-helixtrans-60.6-28.3175.1-91.7155.9000113.7E61 Y65 L66 T67 L122 A123 A126E61-L63 VanDerWaalsContact C-N 3.28Å; E61-L63 PolarHBondContact O-N 2.93Å; E61-L63 VanDerWaalsContact O-N 3.1Å; L63-Y65 PolarHBondContact O-N 3.44Å; L63-L66 PolarHBondContact O-N 3.14Å; L63-T67 WeakPolarHBondContact O-CB 3.33Å; L63-T67 PolarHBondContact O-N 3.16Å; L63-T67 PolarHBondContact O-OG1 2.91Å; L63-L122 HydrophobicContact CD1-CB 3.82Å; L63-A123 HydrophobicContact CG-CB 4.15Å; L63-A126 HydrophobicContact CD2-CB 3.79Å
64V90.2Very high88Confident56 Ų5650.7 Ų50.734%0.33925%0.253SS..Hα-helixtrans-63.8-40.8-179.1178.20000111.2I50 E61 P62I50-V64 HydrophobicContact CD1-CG1 4.08Å; I50-V64 HydrophobicContact CG2-CG1 4.26Å; E61-V64 HydrophobicContact CB-CG2 4.16Å; E61-V64 VanDerWaalsContact O-CB 3.31Å; E61-V64 WeakPolarHBondContact O-CB 3.19Å; E61-V64 WeakPolarHBondContact O-CG2 3.35Å; E61-V64 PolarHBondContact O-N 3.5Å; P62-V64 PolarHBondContact O-N 3.08Å
65Y91.6Very high88.3Confident4 Ų450.7 Ų50.72%0.01625%0.253CS..Hα-helixtrans-92.4-19178.264.6-105.5000114.3I10 L47 V57 L60 P62 L63 F69I10-Y65 HydrophobicContact CD1-CD1 4.2Å; I10-Y65 HydrophobicContact CD1-CD2 3.86Å; I10-Y65 HydrophobicContact CD1-CE1 4.45Å; I10-Y65 HydrophobicContact CD1-CE2 4.16Å; I10-Y65 HydrophobicContact CD1-CG 3.9Å; L47-Y65 WeakPolarHBondContact CD2-O 3.42Å; V57-Y65 HydrophobicContact CG1-CD1 4.21Å; V57-Y65 HydrophobicContact CG1-CE1 3.51Å; L60-Y65 HydrophobicContact CB-CD1 4.21Å; P62-Y65 HydrophobicContact CB-CE1 4.26Å; P62-Y65 PolarHBondContact O-N 3.14Å; L63-Y65 PolarHBondContact O-N 3.44Å; Y65-F69 VanDerWaalsContact O-CD2 3.29Å; Y65-F69 WeakPolarHBondContact O-CD2 3.47Å; Y65-F69 WeakPolarHBondContact O-CE2 3.26Å
66L93.4Very high88.4Confident2 Ų247.7 Ų47.71%0.0124%0.241CC..Hα-helixtrans-79.2-45.2175.6-75.1165.2000112.7P62 L63 P68 F69 L70 V90 F93 A123 I127P62-L66 HydrophobicContact CB-CD1 4.33Å; P62-L66 WeakPolarHBondContact O-CB 3.36Å; P62-L66 WeakPolarHBondContact O-CD1 3.3Å; P62-L66 WeakPolarHBondContact O-CG 3.31Å; P62-L66 PolarHBondContact O-N 2.99Å; P62-L66 VanDerWaalsContact O-N 3.13Å; L63-L66 PolarHBondContact O-N 3.14Å; L66-P68 VanDerWaalsContact O-N 3.14Å; L66-F69 WeakPolarHBondContact O-CB 3.32Å; L66-F69 PolarHBondContact O-N 2.9Å; L66-L70 HydrophobicContact CB-CD1 4.18Å; L66-L70 HydrophobicContact CB-CG 4.4Å; L66-L70 PolarHBondContact O-N 3.37Å; L66-V90 HydrophobicContact CD2-CG1 4.16Å; L66-V90 HydrophobicContact CD2-CG2 4.48Å; L66-F93 HydrophobicContact CD2-CD2 4.04Å; L66-A123 HydrophobicContact CD1-CB 3.92Å; L66-I127 HydrophobicContact CD1-CD1 3.87Å; L66-I127 HydrophobicContact CD1-CG1 4.23Å; L66-I127 HydrophobicContact CD2-CD1 4.12Å; L66-I127 HydrophobicContact CD2-CG1 4.31Å
67T93.7Very high88.6Confident57 Ų5752.3 Ų52.335%0.3526%0.262SS..Hα-helixtrans-48.2-47.7-166.4-62.70000114.5L63 F69 L70 E71L63-T67 WeakPolarHBondContact O-CB 3.33Å; L63-T67 PolarHBondContact O-N 3.16Å; L63-T67 PolarHBondContact O-OG1 2.91Å; T67-F69 VanDerWaalsContact C-N 3.29Å; T67-F69 PolarHBondContact O-N 3.46Å; T67-L70 CarbonylContact O-C 3.42Å; T67-L70 WeakPolarHBondContact O-CA 3.24Å; T67-L70 WeakPolarHBondContact O-CB 3.43Å; T67-L70 PolarHBondContact O-N 3.26Å; T67-E71 HydrophobicContact CG2-CG 4.25Å; T67-E71 WeakPolarHBondContact O-CG 3.5Å; T67-E71 PolarHBondContact O-N 3.2Å
68P93.7Very high88.9Confident8 Ų852.1 Ų52.15%0.05226%0.261CS..Hα-helixtrans-62.3-30.9180-25.337.4000114.4F44 L47 L66 V72F44-P68 HydrophobicContact CD1-CB 4.15Å; F44-P68 HydrophobicContact CD2-CB 3.9Å; F44-P68 HydrophobicContact CE1-CB 4.04Å; F44-P68 HydrophobicContact CE2-CB 3.76Å; F44-P68 WeakPolarHBondContact CE2-O 3.43Å; F44-P68 HydrophobicContact CG-CB 4.09Å; F44-P68 HydrophobicContact CZ-CB 3.84Å; L47-P68 HydrophobicContact CB-CG 4.08Å; L47-P68 HydrophobicContact CD2-CB 4.39Å; L47-P68 HydrophobicContact CD2-CG 3.85Å; L66-P68 VanDerWaalsContact O-N 3.14Å; P68-V72 PolarHBondContact O-N 3.06Å
69F96.1Very high89.4Confident0 Ų046.5 Ų46.50%023%0.232CC..Hα-helixtrans-72.2-38.8172.8-62.5-91.6000111.1E13 V14 M17 F44 L47 Y65 L66 T67 V72 I73 A89 V90 F93E13-F69 HydrophobicContact CB-CE1 3.96Å; E13-F69 HydrophobicContact CB-CZ 3.94Å; V14-F69 HydrophobicContact CG2-CE2 3.95Å; V14-F69 HydrophobicContact CG2-CZ 3.73Å; M17-F69 HydrophobicContact CE-CD1 4.06Å; M17-F69 HydrophobicContact CE-CE1 3.92Å; F44-F69 AromaticContact CE1-CD1 3.98Å; F44-F69 HydrophobicContact CE1-CD1 3.98Å; F44-F69 HydrophobicContact CE1-CD2 4.04Å; F44-F69 AromaticContact CE1-CE1 3.78Å; F44-F69 HydrophobicContact CE1-CE1 3.78Å; F44-F69 AromaticContact CE1-CE2 3.85Å; F44-F69 HydrophobicContact CE1-CE2 3.85Å; F44-F69 HydrophobicContact CE1-CG 4.12Å; F44-F69 AromaticContact CE1-CZ 3.73Å; F44-F69 HydrophobicContact CE1-CZ 3.73Å; F44-F69 HydrophobicContact CZ-CB 4.43Å; F44-F69 AromaticContact CZ-CD1 3.74Å; F44-F69 HydrophobicContact CZ-CD1 3.74Å; F44-F69 HydrophobicContact CZ-CD2 4.14Å; F44-F69 HydrophobicContact CZ-CE1 4Å; F44-F69 HydrophobicContact CZ-CE2 4.38Å; F44-F69 AromaticContact CZ-CG 3.82Å; F44-F69 HydrophobicContact CZ-CG 3.82Å; F44-F69 HydrophobicContact CZ-CZ 4.33Å; L47-F69 HydrophobicContact CD2-CE2 4.2Å; Y65-F69 VanDerWaalsContact O-CD2 3.29Å; Y65-F69 WeakPolarHBondContact O-CD2 3.47Å; Y65-F69 WeakPolarHBondContact O-CE2 3.26Å; L66-F69 WeakPolarHBondContact O-CB 3.32Å; L66-F69 PolarHBondContact O-N 2.9Å; T67-F69 VanDerWaalsContact C-N 3.29Å; T67-F69 PolarHBondContact O-N 3.46Å; F69-V72 PolarHBondContact O-N 3.22Å; F69-I73 WeakPolarHBondContact O-CG1 3.44Å; F69-I73 PolarHBondContact O-N 3.17Å; F69-I73 VanDerWaalsContact O-N 3.13Å; F69-A89 HydrophobicContact CD1-CB 3.74Å; F69-A89 HydrophobicContact CE1-CB 3.59Å; F69-A89 HydrophobicContact CZ-CB 4.44Å; F69-V90 HydrophobicContact CB-CG2 3.87Å; F69-F93 HydrophobicContact CD2-CE2 4.11Å; F69-F93 HydrophobicContact CE1-CZ 4.48Å; F69-F93 AromaticContact CE2-CE2 3.84Å; F69-F93 HydrophobicContact CE2-CE2 3.84Å; F69-F93 HydrophobicContact CE2-CZ 4.09Å; F69-F93 HydrophobicContact CZ-CE2 4.05Å; F69-F93 AromaticContact CZ-CZ 3.92Å; F69-F93 HydrophobicContact CZ-CZ 3.92Å
70L94.3Very high89.8Confident11 Ų1141.2 Ų41.26%0.05821%0.208CC..Hα-helixtrans-67.1-37177-54.9-176.8000111.9L66 T67 V72 I73 R74 V90 A126 I127 A130L66-L70 HydrophobicContact CB-CD1 4.18Å; L66-L70 HydrophobicContact CB-CG 4.4Å; L66-L70 PolarHBondContact O-N 3.37Å; T67-L70 CarbonylContact O-C 3.42Å; T67-L70 WeakPolarHBondContact O-CA 3.24Å; T67-L70 WeakPolarHBondContact O-CB 3.43Å; T67-L70 PolarHBondContact O-N 3.26Å; L70-V72 VanDerWaalsContact C-N 3.34Å; L70-V72 PolarHBondContact O-N 2.87Å; L70-I73 HydrophobicContact CD2-CD1 4.31Å; L70-I73 PolarHBondContact O-N 3.08Å; L70-R74 PolarHBondContact O-N 3.28Å; L70-V90 HydrophobicContact CD2-CG2 4.26Å; L70-A126 HydrophobicContact CD1-CB 3.87Å; L70-I127 HydrophobicContact CD1-CG1 4.49Å; L70-I127 HydrophobicContact CD2-CG1 4.12Å; L70-A130 HydrophobicContact CB-CB 3.79Å; L70-A130 HydrophobicContact CD2-CB 3.93Å; L70-A130 HydrophobicContact CG-CB 4.27Å
71E92.3Very high90Very high73 Ų7343.7 Ų43.734%0.34123%0.225SC..Hα-helixtrans-58.9-42.7171-69.9-175.413900111.9L40 S43 T67 I73 R74 S75L40-E71 HydrophobicContact CD2-CB 3.54Å; S43-E71 VanDerWaalsContact CB-OE2 3.24Å; S43-E71 WeakPolarHBondContact CB-OE2 3.23Å; S43-E71 PolarHBondContact OG-OE2 3.38Å; T67-E71 HydrophobicContact CG2-CG 4.25Å; T67-E71 WeakPolarHBondContact O-CG 3.5Å; T67-E71 PolarHBondContact O-N 3.2Å; E71-I73 VanDerWaalsContact C-N 3.32Å; E71-I73 PolarHBondContact O-N 2.79Å; E71-R74 PolarHBondContact O-N 3.43Å; E71-S75 VanDerWaalsContact O-CB 3.23Å; E71-S75 WeakPolarHBondContact O-CB 3.37Å; E71-S75 PolarHBondContact O-N 2.95Å
72V93Very high90.3Very high0 Ų038.4 Ų38.40%020%0.201CC..Hα-helixtrans-65.6-34176.1166.70000112L21 L40 F44 P68 F69 L70 T78 V82 A86L21-V72 HydrophobicContact CD1-CG2 4.35Å; L21-V72 HydrophobicContact CD2-CG2 4.31Å; L40-V72 HydrophobicContact CD1-CG2 4.27Å; L40-V72 HydrophobicContact CD2-CG2 4.09Å; F44-V72 HydrophobicContact CE2-CG2 3.71Å; P68-V72 PolarHBondContact O-N 3.06Å; F69-V72 PolarHBondContact O-N 3.22Å; L70-V72 VanDerWaalsContact C-N 3.34Å; L70-V72 PolarHBondContact O-N 2.87Å; V72-T78 HydrophobicContact CG1-CG2 4.13Å; V72-T78 PolarHBondContact O-OG1 2.91Å; V72-V82 HydrophobicContact CG1-CG1 4.06Å; V72-A86 HydrophobicContact CB-CB 4.07Å; V72-A86 HydrophobicContact CG1-CB 3.59Å
73I94.1Very high90.5Very high0 Ų037.7 Ų37.70%020%0.196CC..Hα-helixtrans-72-34.8178-63161.2000111.4F69 L70 E71 A86 L87 V90 A130 A134 R135F69-I73 WeakPolarHBondContact O-CG1 3.44Å; F69-I73 PolarHBondContact O-N 3.17Å; F69-I73 VanDerWaalsContact O-N 3.13Å; L70-I73 HydrophobicContact CD2-CD1 4.31Å; L70-I73 PolarHBondContact O-N 3.08Å; E71-I73 VanDerWaalsContact C-N 3.32Å; E71-I73 PolarHBondContact O-N 2.79Å; I73-A86 HydrophobicContact CD1-CB 4.33Å; I73-A86 HydrophobicContact CG1-CB 3.84Å; I73-L87 HydrophobicContact CD1-CD2 3.88Å; I73-L87 HydrophobicContact CD1-CG 4.31Å; I73-L87 HydrophobicContact CG1-CD2 4.03Å; I73-L87 HydrophobicContact CG1-CG 4.14Å; I73-L87 HydrophobicContact CG2-CD2 3.86Å; I73-L87 HydrophobicContact CG2-CG 4.49Å; I73-V90 HydrophobicContact CD1-CG2 4.14Å; I73-A130 VanDerWaalsContact CG2-O 3.24Å; I73-A130 WeakPolarHBondContact CG2-O 3.17Å; I73-A134 HydrophobicContact CG2-CB 3.64Å; I73-A134 WeakPolarHBondContact O-CA 3.06Å; I73-R135 PolarHBondContact O-N 2.82Å
74R91.8Very high90.6Very high137 Ų13735.7 Ų35.752%0.51719%0.187SC..Hα-helixtrans-83-11.4176.9-80.5169.646.7153.6-9.3114.6L70 E71 D129 A130 Q133L70-R74 PolarHBondContact O-N 3.28Å; E71-R74 PolarHBondContact O-N 3.43Å; R74-D129 IonicContact CZ-OD2 2.92Å; R74-D129 IonicContact NH1-OD2 3.19Å; R74-D129 PolarHBondContact NH1-OD2 3.45Å; R74-A130 HydrophobicContact CG-CB 4.11Å; R74-Q133 HydrophobicContact CG-CB 4.23Å
75S88.9Confident90.8Very high19 Ų1935.8 Ų35.813%0.13319%0.185CC..  trans-85.1116.9-170177.70000113.6E71 D77 T78E71-S75 VanDerWaalsContact O-CB 3.23Å; E71-S75 WeakPolarHBondContact O-CB 3.37Å; E71-S75 PolarHBondContact O-N 2.95Å; S75-D77 PolarHBondContact O-N 2.82Å; S75-D77 PolarHBondContact OG-N 3.4Å; S75-T78 PolarHBondContact O-N 3.26Å; S75-T78 PolarHBondContact O-OG1 3.36Å
76E82.4Confident91Very high117 Ų11735.6 Ų35.655%0.54719%0.185SC..THydrogen-bonded Turntrans-60.8-24.8175.4-58.5-167.515900113.6T78 R135 V137E76-T78 VanDerWaalsContact C-N 3.25Å; E76-T78 PolarHBondContact O-N 3.49Å; E76-R135 HydrophobicContact CG-CB 3.98Å; E76-R135 HydrophobicContact CG-CG 4.41Å; E76-R135 WeakPolarHBondContact OE1-CD 3.31Å; E76-R135 IonicContact OE1-CZ 2.75Å; E76-R135 IonicContact OE1-NE 3.64Å; E76-R135 IonicContact OE1-NH1 2.69Å; E76-R135 PolarHBondContact OE1-NH1 2.76Å; E76-V137 WeakPolarHBondContact O-CG2 3.45Å
77D82.7Confident91Very high142 Ų14235.6 Ų35.676%0.75919%0.185SC*.THydrogen-bonded Turntrans-74.7-9.3178.7-67.5-50.1000113.9S75S75-D77 PolarHBondContact O-N 2.82Å; S75-D77 PolarHBondContact OG-N 3.4Å
78T86.8Confident91.1Very high6 Ų634.7 Ų34.74%0.03718%0.179CC..SBendtrans-88.6137.7-174.4650000111.9L40 V72 S75 E76 T83 F136 V137L40-T78 HydrophobicContact CD1-CG2 3.98Å; V72-T78 HydrophobicContact CG1-CG2 4.13Å; V72-T78 PolarHBondContact O-OG1 2.91Å; S75-T78 PolarHBondContact O-N 3.26Å; S75-T78 PolarHBondContact O-OG1 3.36Å; E76-T78 VanDerWaalsContact C-N 3.25Å; E76-T78 PolarHBondContact O-N 3.49Å; T78-T83 PolarHBondContact OG1-OG1 2.93Å; T78-F136 CarbonylContact O-C 3.53Å; T78-F136 VanDerWaalsContact O-CA 3.3Å; T78-F136 WeakPolarHBondContact O-CA 3.44Å; T78-F136 WeakPolarHBondContact O-CB 3.5Å; T78-V137 PolarHBondContact O-N 2.96Å
79T87.6Confident91.2Very high28 Ų2834.3 Ų34.317%0.17218%0.177CC..BIsolated β-bridgetrans-79.8146.6174.460.10000110.3S24 P81 V82 T83 T139S24-T79 WeakPolarHBondContact OG-CG2 3.44Å; S24-T79 PolarHBondContact OG-OG1 2.82Å; T79-P81 VanDerWaalsContact C-CD 3.42Å; T79-P81 VanDerWaalsContact C-N 3.29Å; T79-V82 WeakPolarHBondContact O-CA 3.31Å; T79-V82 WeakPolarHBondContact O-CB 3.45Å; T79-V82 PolarHBondContact O-N 2.93Å; T79-T83 PolarHBondContact O-N 3.24Å; T79-T83 VanDerWaalsContact O-N 3.17Å; T79-T83 PolarHBondContact O-OG1 2.98Å; T79-T139 HydrophobicContact CG2-CG2 4.23Å
80G87.5Confident91.2Very high1 Ų134.3 Ų34.31%0.0118%0.177CC..Hα-helixtrans-44.9-41.9-177.700000115.8V82 T83 G84 V147G80-V82 VanDerWaalsContact C-N 3.31Å; G80-V82 PolarHBondContact O-N 3.33Å; G80-T83 PolarHBondContact O-N 2.79Å; G80-G84 WeakPolarHBondContact O-CA 3.31Å; G80-G84 PolarHBondContact O-N 3.46Å; G80-V147 WeakPolarHBondContact O-CG2 3.36Å
81P88.1Confident91.1Very high79 Ų7935.1 Ų35.151%0.51318%0.181SC..Hα-helixtrans-61.4-31174.7-26.536.6000115.2T79 L85T79-P81 VanDerWaalsContact C-CD 3.42Å; T79-P81 VanDerWaalsContact C-N 3.29Å; P81-L85 WeakPolarHBondContact O-CG 3.48Å; P81-L85 PolarHBondContact O-N 2.82Å; P81-L85 VanDerWaalsContact O-N 3.17Å
82V90.4Very high91.1Very high6 Ų634.8 Ų34.84%0.03618%0.178CC..Hα-helixtrans-78.4-48177.2-178.10000110.5A20 L21 V72 T79 G80 G84 L85 A86A20-V82 HydrophobicContact CB-CG1 4.5Å; A20-V82 HydrophobicContact CB-CG2 4.36Å; L21-V82 HydrophobicContact CD2-CG1 3.88Å; L21-V82 HydrophobicContact CG-CG1 4.22Å; V72-V82 HydrophobicContact CG1-CG1 4.06Å; T79-V82 WeakPolarHBondContact O-CA 3.31Å; T79-V82 WeakPolarHBondContact O-CB 3.45Å; T79-V82 PolarHBondContact O-N 2.93Å; G80-V82 VanDerWaalsContact C-N 3.31Å; G80-V82 PolarHBondContact O-N 3.33Å; V82-G84 PolarHBondContact O-N 3.18Å; V82-L85 WeakPolarHBondContact O-CB 3.37Å; V82-L85 PolarHBondContact O-N 3.27Å; V82-A86 PolarHBondContact O-N 3.37Å
83T92.6Very high91.1Very high0 Ų035 Ų350%018%0.18CC..Hα-helixtrans-56.4-43.4173.8-330000110.3T78 T79 G80 L85 A86 L87 F136 V147T78-T83 PolarHBondContact OG1-OG1 2.93Å; T79-T83 PolarHBondContact O-N 3.24Å; T79-T83 VanDerWaalsContact O-N 3.17Å; T79-T83 PolarHBondContact O-OG1 2.98Å; G80-T83 PolarHBondContact O-N 2.79Å; T83-L85 VanDerWaalsContact C-N 3.3Å; T83-L85 PolarHBondContact O-N 3.47Å; T83-A86 PolarHBondContact O-N 2.81Å; T83-L87 WeakPolarHBondContact O-CG 3.36Å; T83-L87 PolarHBondContact O-N 3.1Å; T83-F136 HydrophobicContact CG2-CB 4.17Å; T83-F136 HydrophobicContact CG2-CD1 4.47Å; T83-F136 VanDerWaalsContact OG1-CB 3.3Å; T83-F136 WeakPolarHBondContact OG1-CB 3.11Å; T83-V147 HydrophobicContact CG2-CG1 4.48Å
84G92Very high90.9Very high4 Ų435.2 Ų35.24%0.04118%0.181CC..Hα-helixtrans-68.1-18.2174.300000115.2G80 V82 T88 K150G80-G84 WeakPolarHBondContact O-CA 3.31Å; G80-G84 PolarHBondContact O-N 3.46Å; V82-G84 PolarHBondContact O-N 3.18Å; G84-T88 PolarHBondContact O-OG1 3.04Å; G84-K150 WeakPolarHBondContact O-CD 3.48Å; G84-K150 WeakPolarHBondContact O-CE 3.29Å; G84-K150 PolarHBondContact O-NZ 2.83Å
85L93.9Very high90.8Very high57 Ų5731.9 Ų31.930%0.29818%0.178SC..Hα-helixtrans-79.9-44.8167.8-81.1166.7000110.6L16 M17 A20 P81 V82 T83 L87 T88 A89L16-L85 HydrophobicContact CD2-CD2 4Å; M17-L85 HydrophobicContact CE-CB 3.89Å; M17-L85 HydrophobicContact SD-CB 3.85Å; A20-L85 HydrophobicContact CB-CD1 3.73Å; P81-L85 WeakPolarHBondContact O-CG 3.48Å; P81-L85 PolarHBondContact O-N 2.82Å; P81-L85 VanDerWaalsContact O-N 3.17Å; V82-L85 WeakPolarHBondContact O-CB 3.37Å; V82-L85 PolarHBondContact O-N 3.27Å; T83-L85 VanDerWaalsContact C-N 3.3Å; T83-L85 PolarHBondContact O-N 3.47Å; L85-L87 PolarHBondContact O-N 3.33Å; L85-T88 PolarHBondContact O-N 3.07Å; L85-T88 VanDerWaalsContact O-N 3.15Å; L85-A89 PolarHBondContact O-N 3.08Å
86A95.2Very high90.8Very high0 Ų036 Ų360%019%0.192CC..Hα-helixtrans-60-44.4178.100000112.3M17 V72 I73 V82 T83 T88 A89 V90M17-A86 HydrophobicContact CE-CB 4.31Å; M17-A86 HydrophobicContact SD-CB 4.11Å; V72-A86 HydrophobicContact CB-CB 4.07Å; V72-A86 HydrophobicContact CG1-CB 3.59Å; I73-A86 HydrophobicContact CD1-CB 4.33Å; I73-A86 HydrophobicContact CG1-CB 3.84Å; V82-A86 PolarHBondContact O-N 3.37Å; T83-A86 PolarHBondContact O-N 2.81Å; A86-T88 VanDerWaalsContact C-N 3.3Å; A86-T88 PolarHBondContact O-N 3.33Å; A86-A89 WeakPolarHBondContact O-CB 3.29Å; A86-A89 PolarHBondContact O-N 3.45Å; A86-A89 VanDerWaalsContact O-N 3.13Å; A86-V90 PolarHBondContact O-N 2.92Å; A86-V90 VanDerWaalsContact O-N 3.11Å
87L95.3Very high90.9Very high2 Ų231.5 Ų31.51%0.0118%0.177CC..Hα-helixtrans-55-43.8173.4-70.9166.9000112.3I73 T83 L85 V90 D91 V147 K150 V151 L154I73-L87 HydrophobicContact CD1-CD2 3.88Å; I73-L87 HydrophobicContact CD1-CG 4.31Å; I73-L87 HydrophobicContact CG1-CD2 4.03Å; I73-L87 HydrophobicContact CG1-CG 4.14Å; I73-L87 HydrophobicContact CG2-CD2 3.86Å; I73-L87 HydrophobicContact CG2-CG 4.49Å; T83-L87 WeakPolarHBondContact O-CG 3.36Å; T83-L87 PolarHBondContact O-N 3.1Å; L85-L87 PolarHBondContact O-N 3.33Å; L87-V90 PolarHBondContact O-N 3.38Å; L87-D91 VanDerWaalsContact O-CB 3.29Å; L87-D91 WeakPolarHBondContact O-CB 3.21Å; L87-D91 PolarHBondContact O-N 2.98Å; L87-V147 HydrophobicContact CD1-CG1 3.78Å; L87-K150 HydrophobicContact CB-CB 4.12Å; L87-K150 HydrophobicContact CD1-CB 3.91Å; L87-V151 HydrophobicContact CD1-CG2 3.65Å; L87-V151 HydrophobicContact CD2-CG2 3.97Å; L87-L154 HydrophobicContact CD2-CD2 3.48Å; L87-L154 VanDerWaalsContact CD2-CD2 3.48Å
88T95.3Very high91.1Very high39 Ų3925.6 Ų25.624%0.23915%0.145CC..Hα-helixtrans-70.9-28.7178.7-69.80000113.1G84 L85 A86 K92 K150G84-T88 PolarHBondContact O-OG1 3.04Å; L85-T88 PolarHBondContact O-N 3.07Å; L85-T88 VanDerWaalsContact O-N 3.15Å; A86-T88 VanDerWaalsContact C-N 3.3Å; A86-T88 PolarHBondContact O-N 3.33Å; T88-K92 WeakPolarHBondContact O-CB 3.38Å; T88-K92 VanDerWaalsContact O-CG 3.3Å; T88-K92 WeakPolarHBondContact O-CG 3.46Å; T88-K92 PolarHBondContact O-N 3.04Å; T88-K92 VanDerWaalsContact O-N 3.13Å; T88-K150 WeakPolarHBondContact OG1-CE 3.27Å; T88-K150 PolarHBondContact OG1-NZ 3.15Å
89A95.3Very high90.8Very high0 Ų026 Ų260%015%0.147CC..Hα-helixtrans-67.1-46.6172.100000111.3E13 M17 F69 L85 A86 K92 F93E13-A89 HydrophobicContact CB-CB 3.92Å; E13-A89 HydrophobicContact CG-CB 3.97Å; M17-A89 HydrophobicContact CE-CB 4.38Å; F69-A89 HydrophobicContact CD1-CB 3.74Å; F69-A89 HydrophobicContact CE1-CB 3.59Å; F69-A89 HydrophobicContact CZ-CB 4.44Å; L85-A89 PolarHBondContact O-N 3.08Å; A86-A89 WeakPolarHBondContact O-CB 3.29Å; A86-A89 PolarHBondContact O-N 3.45Å; A86-A89 VanDerWaalsContact O-N 3.13Å; A89-K92 WeakPolarHBondContact O-CB 3.39Å; A89-K92 PolarHBondContact O-N 2.82Å; A89-F93 HydrophobicContact CB-CE2 4.34Å; A89-F93 HydrophobicContact CB-CZ 4.2Å; A89-F93 VanDerWaalsContact O-CD1 3.3Å; A89-F93 WeakPolarHBondContact O-CD1 3.49Å; A89-F93 WeakPolarHBondContact O-CD2 3.42Å; A89-F93 WeakPolarHBondContact O-CG 3.32Å; A89-F93 PolarHBondContact O-N 2.75Å
90V95.4Very high90Very high0 Ų029.4 Ų29.40%016%0.161CC..Hα-helixtrans-66.9-39.9178.5-175.20000111.8L66 F69 L70 I73 A86 L87 K92 F93 L94 I127 L154L66-V90 HydrophobicContact CD2-CG1 4.16Å; L66-V90 HydrophobicContact CD2-CG2 4.48Å; F69-V90 HydrophobicContact CB-CG2 3.87Å; L70-V90 HydrophobicContact CD2-CG2 4.26Å; I73-V90 HydrophobicContact CD1-CG2 4.14Å; A86-V90 PolarHBondContact O-N 2.92Å; A86-V90 VanDerWaalsContact O-N 3.11Å; L87-V90 PolarHBondContact O-N 3.38Å; V90-K92 VanDerWaalsContact C-N 3.34Å; V90-K92 PolarHBondContact O-N 3.44Å; V90-F93 WeakPolarHBondContact O-CB 3.4Å; V90-F93 PolarHBondContact O-N 2.83Å; V90-L94 HydrophobicContact CG1-CD1 4.44Å; V90-L94 PolarHBondContact O-N 3.21Å; V90-I127 HydrophobicContact CG1-CD1 4.06Å; V90-I127 HydrophobicContact CG1-CG1 3.95Å; V90-I127 HydrophobicContact CG1-CG2 3.86Å; V90-L154 HydrophobicContact CB-CD1 4.18Å; V90-L154 HydrophobicContact CB-CD2 4.38Å; V90-L154 HydrophobicContact CG1-CD1 3.87Å; V90-L154 HydrophobicContact CG1-CD2 4.41Å
91D93.5Very high89Confident28 Ų2832 Ų3215%0.1517%0.174CC..Hα-helixtrans-62.6-38.6176.6-179.356.5000112.2L87 S95 H153 L154 T157L87-D91 VanDerWaalsContact O-CB 3.29Å; L87-D91 WeakPolarHBondContact O-CB 3.21Å; L87-D91 PolarHBondContact O-N 2.98Å; D91-S95 VanDerWaalsContact O-CB 3.23Å; D91-S95 WeakPolarHBondContact O-CB 3.33Å; D91-S95 PolarHBondContact O-N 3.03Å; D91-S95 PolarHBondContact O-OG 3.36Å; D91-H153 IonicContact OD1-CD2 2.69Å; D91-H153 IonicContact OD2-CD2 3.47Å; D91-L154 HydrophobicContact CB-CB 4.47Å; D91-L154 HydrophobicContact CB-CD1 3.99Å; D91-T157 VanDerWaalsContact OD1-CB 3.25Å; D91-T157 WeakPolarHBondContact OD1-CB 3.32Å; D91-T157 PolarHBondContact OD1-OG1 2.93Å
92K91.6Very high87.6Confident65 Ų6531.5 Ų31.528%0.28317%0.171SC..Hα-helixtrans-61.7-44.5168-77.8174.8-174.7179.90112.3E13 T88 A89 V90 L94 S95 Y96E13-K92 WeakPolarHBondContact OE1-CD 3.43Å; E13-K92 IonicContact OE1-NZ 2.92Å; E13-K92 PolarHBondContact OE1-NZ 3.28Å; T88-K92 WeakPolarHBondContact O-CB 3.38Å; T88-K92 VanDerWaalsContact O-CG 3.3Å; T88-K92 WeakPolarHBondContact O-CG 3.46Å; T88-K92 PolarHBondContact O-N 3.04Å; T88-K92 VanDerWaalsContact O-N 3.13Å; A89-K92 WeakPolarHBondContact O-CB 3.39Å; A89-K92 PolarHBondContact O-N 2.82Å; V90-K92 VanDerWaalsContact C-N 3.34Å; V90-K92 PolarHBondContact O-N 3.44Å; K92-L94 VanDerWaalsContact C-N 3.28Å; K92-L94 PolarHBondContact O-N 3.17Å; K92-S95 PolarHBondContact O-N 3.12Å; K92-Y96 HydrophobicContact CB-CD2 3.98Å; K92-Y96 HydrophobicContact CB-CE2 3.68Å; K92-Y96 HydrophobicContact CD-CE2 4.2Å; K92-Y96 HydrophobicContact CG-CE2 3.8Å; K92-Y96 WeakPolarHBondContact O-CB 3.41Å; K92-Y96 WeakPolarHBondContact O-CD2 3.34Å; K92-Y96 PolarHBondContact O-N 3.38Å
93F92.3Very high85.7Confident6 Ų635.6 Ų35.63%0.02620%0.2CC..Hα-helixtrans-62.5-36.8-177.5-58.5-25.3000112.2I10 E13 L66 F69 A89 V90 L98I10-F93 HydrophobicContact CB-CE1 4.49Å; I10-F93 HydrophobicContact CB-CZ 4.42Å; I10-F93 HydrophobicContact CG1-CD1 4.46Å; I10-F93 HydrophobicContact CG1-CE1 3.96Å; I10-F93 HydrophobicContact CG1-CZ 4.17Å; I10-F93 HydrophobicContact CG2-CZ 4.26Å; E13-F93 HydrophobicContact CB-CE1 4.48Å; E13-F93 HydrophobicContact CB-CZ 4.1Å; E13-F93 HydrophobicContact CG-CE1 4.08Å; E13-F93 HydrophobicContact CG-CZ 4.17Å; L66-F93 HydrophobicContact CD2-CD2 4.04Å; F69-F93 HydrophobicContact CD2-CE2 4.11Å; F69-F93 HydrophobicContact CE1-CZ 4.48Å; F69-F93 AromaticContact CE2-CE2 3.84Å; F69-F93 HydrophobicContact CE2-CE2 3.84Å; F69-F93 HydrophobicContact CE2-CZ 4.09Å; F69-F93 HydrophobicContact CZ-CE2 4.05Å; F69-F93 AromaticContact CZ-CZ 3.92Å; F69-F93 HydrophobicContact CZ-CZ 3.92Å; A89-F93 HydrophobicContact CB-CE2 4.34Å; A89-F93 HydrophobicContact CB-CZ 4.2Å; A89-F93 VanDerWaalsContact O-CD1 3.3Å; A89-F93 WeakPolarHBondContact O-CD1 3.49Å; A89-F93 WeakPolarHBondContact O-CD2 3.42Å; A89-F93 WeakPolarHBondContact O-CG 3.32Å; A89-F93 PolarHBondContact O-N 2.75Å; V90-F93 WeakPolarHBondContact O-CB 3.4Å; V90-F93 PolarHBondContact O-N 2.83Å; F93-L98 HydrophobicContact CD1-CD2 4.47Å; F93-L98 PolarHBondContact O-N 3.48Å; F93-L98 VanDerWaalsContact O-N 3.11Å
94L91Very high83.6Confident4 Ų441.3 Ų41.32%0.02124%0.24CC..Hα-helixtrans-68.9-52.4170.3-69.8159000111.6V90 K92 Y96 G97 L99 I127 L154 T157 L158 V161V90-L94 HydrophobicContact CG1-CD1 4.44Å; V90-L94 PolarHBondContact O-N 3.21Å; K92-L94 VanDerWaalsContact C-N 3.28Å; K92-L94 PolarHBondContact O-N 3.17Å; L94-Y96 VanDerWaalsContact C-N 3.26Å; L94-Y96 PolarHBondContact O-N 2.83Å; L94-G97 PolarHBondContact O-N 3.29Å; L94-L99 HydrophobicContact CD2-CD1 3.84Å; L94-I127 HydrophobicContact CD1-CG2 4.39Å; L94-I127 HydrophobicContact CD2-CD1 4.31Å; L94-L154 HydrophobicContact CD1-CD1 3.44Å; L94-L154 VanDerWaalsContact CD1-CD1 3.44Å; L94-T157 HydrophobicContact CB-CG2 3.73Å; L94-T157 HydrophobicContact CD1-CG2 4.49Å; L94-L158 HydrophobicContact CD1-CB 4.13Å; L94-L158 HydrophobicContact CD1-CD1 3.95Å; L94-L158 HydrophobicContact CD2-CD1 3.66Å; L94-L158 HydrophobicContact CG-CD1 4.47Å; L94-V161 HydrophobicContact CB-CG1 4.45Å; L94-V161 HydrophobicContact CD2-CG2 3.88Å
95S89.8Confident81Confident67 Ų6750.5 Ų50.547%0.46928%0.279SS..Hα-helixtrans-59.6-32.7-175.8-64.30000113.9D91 K92 G97D91-S95 VanDerWaalsContact O-CB 3.23Å; D91-S95 WeakPolarHBondContact O-CB 3.33Å; D91-S95 PolarHBondContact O-N 3.03Å; D91-S95 PolarHBondContact O-OG 3.36Å; K92-S95 PolarHBondContact O-N 3.12Å; S95-G97 VanDerWaalsContact C-N 3.34Å
96Y88.2Confident78.1Confident105 Ų10551 Ų5141%0.41229%0.287SS..THydrogen-bonded Turntrans-90.15.7176-56.3-43.2000113.8P3 M9 K92 L94P3-Y96 WeakPolarHBondContact CD-O 3.32Å; M9-Y96 HydrophobicContact CE-CD2 3.54Å; M9-Y96 HydrophobicContact CE-CE2 3.26Å; M9-Y96 HydrophobicContact CE-CG 4.32Å; M9-Y96 HydrophobicContact SD-CD2 3.43Å; M9-Y96 WeakPolarHBondContact SD-CD2 3.48Å; M9-Y96 HydrophobicContact SD-CE2 3.74Å; M9-Y96 HydrophobicContact SD-CG 4.29Å; K92-Y96 HydrophobicContact CB-CD2 3.98Å; K92-Y96 HydrophobicContact CB-CE2 3.68Å; K92-Y96 HydrophobicContact CD-CE2 4.2Å; K92-Y96 HydrophobicContact CG-CE2 3.8Å; K92-Y96 WeakPolarHBondContact O-CB 3.41Å; K92-Y96 WeakPolarHBondContact O-CD2 3.34Å; K92-Y96 PolarHBondContact O-N 3.38Å; L94-Y96 VanDerWaalsContact C-N 3.26Å; L94-Y96 PolarHBondContact O-N 2.83Å
97G85Confident75.1Confident23 Ų2358.1 Ų58.124%0.23733%0.325CS..THydrogen-bonded Turntrans68.236.5172.300000114.8L94 S95 L99L94-G97 PolarHBondContact O-N 3.29Å; S95-G97 VanDerWaalsContact C-N 3.34Å; G97-L99 PolarHBondContact O-N 2.87Å
98L85.6Confident72.1Confident18 Ų1867.6 Ų67.69%0.09437%0.369CS..SBendtrans-70.8-16.7173.2-77.678.7000112.6P3 A6 I10 V57 F93P3-L98 HydrophobicContact CG-CD1 4.45Å; A6-L98 HydrophobicContact CB-CD2 4.01Å; A6-L98 HydrophobicContact CB-CG 4.21Å; I10-L98 HydrophobicContact CD1-CD2 3.87Å; I10-L98 HydrophobicContact CG1-CD2 4.03Å; V57-L98 HydrophobicContact CG1-CD2 4.45Å; F93-L98 HydrophobicContact CD1-CD2 4.47Å; F93-L98 PolarHBondContact O-N 3.48Å; F93-L98 VanDerWaalsContact O-N 3.11Å
99L81.5Confident69.3Low13 Ų1369.4 Ų69.47%0.06838%0.384CS..SBendtrans-101.675.4170.3-67.6172.1000109.2P62 L94 G97 I120 A123 V124 I127 A163P62-L99 HydrophobicContact CB-CD2 3.56Å; P62-L99 HydrophobicContact CG-CD2 3.87Å; L94-L99 HydrophobicContact CD2-CD1 3.84Å; G97-L99 PolarHBondContact O-N 2.87Å; L99-I120 HydrophobicContact CB-CG2 4.49Å; L99-I120 HydrophobicContact CD2-CG2 4.46Å; L99-A123 HydrophobicContact CD2-CB 4.29Å; L99-V124 HydrophobicContact CD1-CG2 4.12Å; L99-I127 HydrophobicContact CD1-CD1 3.85Å; L99-A163 HydrophobicContact CB-CB 4.07Å
100E70Confident66.8Low101 Ų10174.5 Ų74.547%0.47242%0.419SS..PPolyproline II helixtrans-94.7125.7-175.9-141.1174.9164.200112.3M1 A2 I120M1-E100 WeakPolarHBondContact CA-OE2 3.48Å; M1-E100 PolarHBondContact N-OE1 3.39Å; M1-E100 PolarHBondContact N-OE2 3.03Å; A2-E100 PolarHBondContact N-OE2 2.96Å; E100-I120 WeakPolarHBondContact O-CD1 3.39Å
101L66.3Low64.4Low55 Ų5581.4 Ų81.429%0.28846%0.455SS..PPolyproline II helixtrans-69132.8174.6-84.7166.5000110.7S103 L117 P162 L166L101-S103 PolarHBondContact O-N 3.34Å; L101-L117 HydrophobicContact CD2-CD2 3.65Å; L101-P162 HydrophobicContact CD1-CB 4.12Å; L101-P162 VanDerWaalsContact CD1-O 3.29Å; L101-P162 WeakPolarHBondContact CD1-O 3.35Å; L101-L166 HydrophobicContact CD2-CD1 3.91Å; L101-L166 HydrophobicContact CD2-CG 4.3Å
102P59.7Low62.2Low68 Ų6886.8 Ų86.844%0.44248%0.484SS..PPolyproline II helixtrans-65.1123.1176.726-33.1000110.6
103S51.4Low60.3Low92 Ų9287.8 Ų87.864%0.64349%0.488SS*.PPolyproline II helixtrans-68.2136.3-173.361.80000112.4L101 K105L101-S103 PolarHBondContact O-N 3.34Å; S103-K105 PolarHBondContact O-N 2.83Å
104S48Very low58.4Low121 Ų12191.6 Ų91.685%0.84651%0.512SS*.THydrogen-bonded Turntrans-73.19.3-172.256.10000115.8
105K37.6Very low57Low197 Ų19793.6 Ų93.686%0.85753%0.533SS*.THydrogen-bonded Turntrans-109.524.3-169.4-70.4-165.9173.2-173.90115.2S103S103-K105 PolarHBondContact O-N 2.83Å
106S32.9Very low55.9Low67 Ų6793.1 Ų93.147%0.46953%0.53SS..SBendtrans-142.6112.6166.3500000113.4K113S106-K113 PolarHBondContact O-NZ 3.08Å
107D32.3Very low55.2Low149 Ų14991.2 Ų91.280%0.79753%0.527SS*.  trans49.8165.7138.3-53.3-14.2000122.1S109 K113D107-S109 PolarHBondContact O-N 2.96Å; D107-K113 PolarHBondContact O-NZ 3.3Å
108E31.7Very low54.9Low202 Ų20292.6 Ų92.694%0.94453%0.529SS*.  trans-78.997.6-159.9-60.1-177.3132.200113.2
109S37.2Very low54.8Low77 Ų7792.5 Ų92.554%0.53853%0.529SS..  trans-152.4105.5154.645.90000109.4D107D107-S109 PolarHBondContact O-N 2.96Å
110S42.3Very low55Low107 Ų10792.3 Ų92.375%0.74853%0.528SS*.  trans-90.5-18-163.447.20000115.3
111L45Very low55.8Low144 Ų14487.6 Ų87.675%0.75451%0.507SS*.SBendtrans-89.4-35.7-173.1-114.969.9000115.1T114L111-T114 PolarHBondContact O-OG1 3.37Å; L111-T114 VanDerWaalsContact O-OG1 3.14Å
112N47.9Very low56.9Low142 Ų14288.6 Ų88.676%0.75951%0.513SS*.SBendtrans-85.9-15.3-174-71.64.7000113.8T114N112-T114 VanDerWaalsContact C-N 3.3Å; N112-T114 PolarHBondContact O-N 3.42Å
113K50.8Low58.3Low86 Ų8685.4 Ų85.437%0.37449%0.492SS..Hα-helixtrans-69.3-24.6-178.2-74.1176.7174.9172.80112.8S106 D107S106-K113 PolarHBondContact O-NZ 3.08Å; D107-K113 PolarHBondContact O-NZ 3.3Å
114T53.2Low60.3Low86 Ų8681 Ų8153%0.52846%0.461SS..Hα-helixtrans-73.4-46.5-179.951.90000113.1L111 N112 S116 L117 N118L111-T114 PolarHBondContact O-OG1 3.37Å; L111-T114 VanDerWaalsContact O-OG1 3.14Å; N112-T114 VanDerWaalsContact C-N 3.3Å; N112-T114 PolarHBondContact O-N 3.42Å; T114-S116 PolarHBondContact O-N 3.09Å; T114-L117 PolarHBondContact O-N 2.77Å; T114-L117 VanDerWaalsContact O-N 3.11Å; T114-N118 PolarHBondContact O-N 2.93Å
115G61.1Low62.3Low45 Ų4577.7 Ų77.746%0.46443%0.432SS..Hα-helixtrans-60-42.3-178.300000113.2L117 N118 S119G115-L117 VanDerWaalsContact C-N 3.32Å; G115-L117 PolarHBondContact O-N 3.49Å; G115-N118 PolarHBondContact O-N 3.33Å; G115-S119 PolarHBondContact O-N 2.94Å
116S67.1Low64.9Low57 Ų5769.6 Ų69.640%0.39940%0.402SS..Hα-helixtrans-69.7-26.3176.7-173.70000113.6T114 S119 I120T114-S116 PolarHBondContact O-N 3.09Å; S116-S119 PolarHBondContact O-OG 3.3Å; S116-I120 WeakPolarHBondContact O-CD1 3.41Å; S116-I120 VanDerWaalsContact O-CG1 3.28Å; S116-I120 WeakPolarHBondContact O-CG1 3.19Å; S116-I120 PolarHBondContact O-N 2.92Å
117L73.2Confident67.9Low65 Ų6566.5 Ų66.534%0.3438%0.38SS..Hα-helixtrans-73.6-43.3173.7-97.8160.5000110.7L101 T114 G115 I120 G121 L166L101-L117 HydrophobicContact CD2-CD2 3.65Å; T114-L117 PolarHBondContact O-N 2.77Å; T114-L117 VanDerWaalsContact O-N 3.11Å; G115-L117 VanDerWaalsContact C-N 3.32Å; G115-L117 PolarHBondContact O-N 3.49Å; L117-I120 PolarHBondContact O-N 3.11Å; L117-G121 PolarHBondContact O-N 3.03Å; L117-L166 HydrophobicContact CD2-CD1 3.93Å; L117-L166 HydrophobicContact CD2-CD2 3.92Å
118N78.8Confident70.8Confident53 Ų5359.4 Ų59.428%0.28334%0.342SS..Hα-helixtrans-62.6-42.8176.4-77.87.4000112.5T114 G115 I120 G121 L122 Q252T114-N118 PolarHBondContact O-N 2.93Å; G115-N118 PolarHBondContact O-N 3.33Å; N118-I120 VanDerWaalsContact C-N 3.34Å; N118-I120 PolarHBondContact O-N 3.19Å; N118-G121 PolarHBondContact O-N 2.92Å; N118-L122 WeakPolarHBondContact O-CB 3.5Å; N118-L122 WeakPolarHBondContact O-CG 3.5Å; N118-L122 PolarHBondContact O-N 3.41Å; N118-Q252 PolarHBondContact ND2-NE2 3Å
119S82.9Confident73.7Confident15 Ų1551.6 Ų51.611%0.10531%0.307CS..Hα-helixtrans-68.8-30.2-179.467.30000113.4E61 G115 S116 A123E61-S119 WeakPolarHBondContact OE1-CB 3.39Å; G115-S119 PolarHBondContact O-N 2.94Å; S116-S119 PolarHBondContact O-OG 3.3Å; S119-A123 WeakPolarHBondContact O-CB 3.48Å; S119-A123 PolarHBondContact O-N 3.46Å
120I86.2Confident76.4Confident9 Ų948 Ų485%0.04628%0.282CS..Hα-helixtrans-71.1-45.2169.5-63.2168.9000110.3L99 E100 S116 L117 N118 L122 A123 V124 A163 L166L99-I120 HydrophobicContact CB-CG2 4.49Å; L99-I120 HydrophobicContact CD2-CG2 4.46Å; E100-I120 WeakPolarHBondContact O-CD1 3.39Å; S116-I120 WeakPolarHBondContact O-CD1 3.41Å; S116-I120 VanDerWaalsContact O-CG1 3.28Å; S116-I120 WeakPolarHBondContact O-CG1 3.19Å; S116-I120 PolarHBondContact O-N 2.92Å; L117-I120 PolarHBondContact O-N 3.11Å; N118-I120 VanDerWaalsContact C-N 3.34Å; N118-I120 PolarHBondContact O-N 3.19Å; I120-L122 PolarHBondContact O-N 3.38Å; I120-A123 PolarHBondContact O-N 3.06Å; I120-V124 HydrophobicContact CG2-CG2 4.2Å; I120-V124 WeakPolarHBondContact O-CB 3.38Å; I120-V124 WeakPolarHBondContact O-CG2 3.45Å; I120-V124 PolarHBondContact O-N 3.38Å; I120-A163 HydrophobicContact CG2-CB 4.12Å; I120-L166 HydrophobicContact CB-CD1 4.18Å; I120-L166 HydrophobicContact CG2-CD1 3.84Å
121G86.3Confident78.8Confident3 Ų343 Ų433%0.03125%0.247CC..Hα-helixtrans-56.7-50.317800000112.7L117 N118 A123 V124 E125L117-G121 PolarHBondContact O-N 3.03Å; N118-G121 PolarHBondContact O-N 2.92Å; G121-A123 VanDerWaalsContact C-N 3.31Å; G121-A123 PolarHBondContact O-N 3.24Å; G121-V124 PolarHBondContact O-N 3.44Å; G121-E125 WeakPolarHBondContact O-CB 3.32Å; G121-E125 PolarHBondContact O-N 2.91Å
122L88.8Confident81.1Confident76 Ų7637 Ų3740%0.39822%0.216SC..Hα-helixtrans-61-37176.2-69.5168.3000112.6L63 N118 I120 A126 P253L63-L122 HydrophobicContact CD1-CB 3.82Å; N118-L122 WeakPolarHBondContact O-CB 3.5Å; N118-L122 WeakPolarHBondContact O-CG 3.5Å; N118-L122 PolarHBondContact O-N 3.41Å; I120-L122 PolarHBondContact O-N 3.38Å; L122-A126 VanDerWaalsContact O-CB 3.27Å; L122-A126 WeakPolarHBondContact O-CB 3.41Å; L122-A126 PolarHBondContact O-N 2.65Å; L122-P253 HydrophobicContact CD2-CG 4.01Å; L122-P253 HydrophobicContact CG-CG 4.12Å
123A90.8Very high83.1Confident0 Ų034 Ų340%020%0.198CC..Hα-helixtrans-70.3-39.5176.800000112.7P62 L63 L66 L99 S119 I120 G121 I127P62-A123 HydrophobicContact CB-CB 3.81Å; L63-A123 HydrophobicContact CG-CB 4.15Å; L66-A123 HydrophobicContact CD1-CB 3.92Å; L99-A123 HydrophobicContact CD2-CB 4.29Å; S119-A123 WeakPolarHBondContact O-CB 3.48Å; S119-A123 PolarHBondContact O-N 3.46Å; I120-A123 PolarHBondContact O-N 3.06Å; G121-A123 VanDerWaalsContact C-N 3.31Å; G121-A123 PolarHBondContact O-N 3.24Å; A123-I127 VanDerWaalsContact O-CG1 3.26Å; A123-I127 WeakPolarHBondContact O-CG1 3.3Å; A123-I127 PolarHBondContact O-N 3.47Å
124V92Very high85Confident0 Ų031.1 Ų31.10%019%0.19CC..Hα-helixtrans-65.2-43174.91650000110.9L99 I120 G121 I127 A128 L158 A163 V167L99-V124 HydrophobicContact CD1-CG2 4.12Å; I120-V124 HydrophobicContact CG2-CG2 4.2Å; I120-V124 WeakPolarHBondContact O-CB 3.38Å; I120-V124 WeakPolarHBondContact O-CG2 3.45Å; I120-V124 PolarHBondContact O-N 3.38Å; G121-V124 PolarHBondContact O-N 3.44Å; V124-I127 PolarHBondContact O-N 2.81Å; V124-A128 PolarHBondContact O-N 3.01Å; V124-L158 HydrophobicContact CG1-CD1 4.08Å; V124-A163 HydrophobicContact CG2-CB 3.88Å; V124-V167 HydrophobicContact CG1-CB 4.36Å; V124-V167 HydrophobicContact CG1-CG2 3.39Å
125E91Very high86.6Confident52 Ų5233 Ų3324%0.24319%0.188CC..Hα-helixtrans-67-39.4176.4-170165.9-118.400112.3G121 I127 A128 D129 S168 A171G121-E125 WeakPolarHBondContact O-CB 3.32Å; G121-E125 PolarHBondContact O-N 2.91Å; E125-I127 PolarHBondContact O-N 3.38Å; E125-A128 WeakPolarHBondContact O-CB 3.3Å; E125-A128 PolarHBondContact O-N 3.13Å; E125-A128 VanDerWaalsContact O-N 3.17Å; E125-D129 PolarHBondContact O-N 3.42Å; E125-S168 VanDerWaalsContact OE1-CB 3.27Å; E125-S168 WeakPolarHBondContact OE1-CB 3.48Å; E125-S168 PolarHBondContact OE1-OG 2.71Å; E125-A171 HydrophobicContact CG-CB 4.37Å
126A92.1Very high87.8Confident27 Ų2733.1 Ų33.122%0.22318%0.175CC..Hα-helixtrans-65.7-35.2173.700000113.2L63 L70 L122 A128 A130L63-A126 HydrophobicContact CD2-CB 3.79Å; L70-A126 HydrophobicContact CD1-CB 3.87Å; L122-A126 VanDerWaalsContact O-CB 3.27Å; L122-A126 WeakPolarHBondContact O-CB 3.41Å; L122-A126 PolarHBondContact O-N 2.65Å; A126-A128 VanDerWaalsContact C-N 3.34Å; A126-A130 VanDerWaalsContact O-CB 3.25Å; A126-A130 WeakPolarHBondContact O-CB 3.39Å; A126-A130 PolarHBondContact O-N 2.98Å; A126-A130 VanDerWaalsContact O-N 3.07Å
127I94.4Very high88.4Confident1 Ų133.5 Ų33.51%0.00518%0.175CC..Hα-helixtrans-65.1-40.6171.3-65.7161.4000110.3L66 L70 V90 L94 L99 A123 V124 E125 S131 L154 L158L66-I127 HydrophobicContact CD1-CD1 3.87Å; L66-I127 HydrophobicContact CD1-CG1 4.23Å; L66-I127 HydrophobicContact CD2-CD1 4.12Å; L66-I127 HydrophobicContact CD2-CG1 4.31Å; L70-I127 HydrophobicContact CD1-CG1 4.49Å; L70-I127 HydrophobicContact CD2-CG1 4.12Å; V90-I127 HydrophobicContact CG1-CD1 4.06Å; V90-I127 HydrophobicContact CG1-CG1 3.95Å; V90-I127 HydrophobicContact CG1-CG2 3.86Å; L94-I127 HydrophobicContact CD1-CG2 4.39Å; L94-I127 HydrophobicContact CD2-CD1 4.31Å; L99-I127 HydrophobicContact CD1-CD1 3.85Å; A123-I127 VanDerWaalsContact O-CG1 3.26Å; A123-I127 WeakPolarHBondContact O-CG1 3.3Å; A123-I127 PolarHBondContact O-N 3.47Å; V124-I127 PolarHBondContact O-N 2.81Å; E125-I127 PolarHBondContact O-N 3.38Å; I127-S131 VanDerWaalsContact O-CB 3.23Å; I127-S131 WeakPolarHBondContact O-CB 3.19Å; I127-S131 PolarHBondContact O-N 3.01Å; I127-S131 VanDerWaalsContact O-N 3.09Å; I127-S131 PolarHBondContact O-OG 3.09Å; I127-L154 HydrophobicContact CG2-CD1 4.28Å; I127-L158 HydrophobicContact CB-CD1 4.16Å; I127-L158 HydrophobicContact CB-CD2 4.46Å; I127-L158 HydrophobicContact CD1-CD1 4.36Å; I127-L158 HydrophobicContact CG2-CD1 3.96Å; I127-L158 HydrophobicContact CG2-CD2 4.09Å
128A93.7Very high88.3Confident1 Ų133.3 Ų33.31%0.00819%0.189CC..Hα-helixtrans-61.2-58.217700000111.7V124 E125 A126 A130 S131 T132 L158 A171 I175V124-A128 PolarHBondContact O-N 3.01Å; E125-A128 WeakPolarHBondContact O-CB 3.3Å; E125-A128 PolarHBondContact O-N 3.13Å; E125-A128 VanDerWaalsContact O-N 3.17Å; A126-A128 VanDerWaalsContact C-N 3.34Å; A128-A130 PolarHBondContact O-N 3.17Å; A128-S131 PolarHBondContact O-N 3.25Å; A128-T132 WeakPolarHBondContact O-CG2 3.41Å; A128-T132 PolarHBondContact O-N 2.75Å; A128-T132 PolarHBondContact O-OG1 3.4Å; A128-L158 HydrophobicContact CB-CD2 3.95Å; A128-A171 HydrophobicContact CB-CB 3.92Å; A128-I175 HydrophobicContact CB-CD1 3.89Å; A128-I175 HydrophobicContact CB-CG1 4.33Å
129D93.3Very high88.2Confident37 Ų3735 Ų3520%0.19820%0.202CC..Hα-helixtrans-55.4-47.6179.4173.180.4000111.7R74 E125 S131 T132 Q133R74-D129 IonicContact CZ-OD2 2.92Å; R74-D129 IonicContact NH1-OD2 3.19Å; R74-D129 PolarHBondContact NH1-OD2 3.45Å; E125-D129 PolarHBondContact O-N 3.42Å; D129-S131 VanDerWaalsContact C-N 3.25Å; D129-S131 PolarHBondContact O-N 2.86Å; D129-T132 PolarHBondContact O-N 3.43Å; D129-T132 PolarHBondContact O-OG1 3.35Å; D129-T132 VanDerWaalsContact O-OG1 3.08Å; D129-Q133 WeakPolarHBondContact O-CB 3.26Å; D129-Q133 WeakPolarHBondContact O-CG 3.5Å; D129-Q133 PolarHBondContact O-N 3.42Å
130A93.4Very high88.1Confident2 Ų237.4 Ų37.42%0.01721%0.213CC..Hα-helixtrans-63.7-31.8179.100000113L70 I73 R74 A126 A128 A134L70-A130 HydrophobicContact CB-CB 3.79Å; L70-A130 HydrophobicContact CD2-CB 3.93Å; L70-A130 HydrophobicContact CG-CB 4.27Å; I73-A130 VanDerWaalsContact CG2-O 3.24Å; I73-A130 WeakPolarHBondContact CG2-O 3.17Å; R74-A130 HydrophobicContact CG-CB 4.11Å; A126-A130 VanDerWaalsContact O-CB 3.25Å; A126-A130 WeakPolarHBondContact O-CB 3.39Å; A126-A130 PolarHBondContact O-N 2.98Å; A126-A130 VanDerWaalsContact O-N 3.07Å; A128-A130 PolarHBondContact O-N 3.17Å; A130-A134 PolarHBondContact O-N 3.31Å
131S94.1Very high88Confident1 Ų141.9 Ų41.91%0.00724%0.243CC..Hα-helixtrans-80.5-34.4179.7-58.30000112.9I127 A128 D129 A134 V151 L154 L155I127-S131 VanDerWaalsContact O-CB 3.23Å; I127-S131 WeakPolarHBondContact O-CB 3.19Å; I127-S131 PolarHBondContact O-N 3.01Å; I127-S131 VanDerWaalsContact O-N 3.09Å; I127-S131 PolarHBondContact O-OG 3.09Å; A128-S131 PolarHBondContact O-N 3.25Å; D129-S131 VanDerWaalsContact C-N 3.25Å; D129-S131 PolarHBondContact O-N 2.86Å; S131-A134 WeakPolarHBondContact O-CB 3.41Å; S131-V151 VanDerWaalsContact O-CG1 3.3Å; S131-V151 WeakPolarHBondContact O-CG1 3.49Å; S131-L154 VanDerWaalsContact OG-CD2 3.25Å; S131-L154 WeakPolarHBondContact OG-CD2 3.28Å; S131-L155 VanDerWaalsContact CB-CD2 3.41Å
132T92.4Very high87.9Confident18 Ų1851.2 Ų51.211%0.1128%0.277CS..Hα-helixtrans-74.4-36.6174.756.80000111.3A128 D129 A134 L155 E174 I175A128-T132 WeakPolarHBondContact O-CG2 3.41Å; A128-T132 PolarHBondContact O-N 2.75Å; A128-T132 PolarHBondContact O-OG1 3.4Å; D129-T132 PolarHBondContact O-N 3.43Å; D129-T132 PolarHBondContact O-OG1 3.35Å; D129-T132 VanDerWaalsContact O-OG1 3.08Å; T132-A134 VanDerWaalsContact C-N 3.3Å; T132-A134 PolarHBondContact O-N 3.23Å; T132-L155 HydrophobicContact CG2-CD1 4.5Å; T132-E174 HydrophobicContact CG2-CB 3.88Å; T132-E174 PolarHBondContact OG1-OE2 2.65Å; T132-I175 HydrophobicContact CG2-CG1 4.01Å
133Q90.1Very high87.8Confident79 Ų7948.8 Ų48.837%0.36927%0.267SS..THydrogen-bonded Turntrans-84.913.7174.6-58.5-74.6-8.600113.9R74 D129 R135R74-Q133 HydrophobicContact CG-CB 4.23Å; D129-Q133 WeakPolarHBondContact O-CB 3.26Å; D129-Q133 WeakPolarHBondContact O-CG 3.5Å; D129-Q133 PolarHBondContact O-N 3.42Å; Q133-R135 WeakPolarHBondContact O-CG 3.39Å; Q133-R135 PolarHBondContact O-N 2.95Å
134A89.7Confident87.7Confident27 Ų2749.7 Ų49.722%0.22327%0.274CS..  trans-60.7130.1-174.100000112.7I73 A130 S131 T132 V151I73-A134 HydrophobicContact CG2-CB 3.64Å; I73-A134 WeakPolarHBondContact O-CA 3.06Å; A130-A134 PolarHBondContact O-N 3.31Å; S131-A134 WeakPolarHBondContact O-CB 3.41Å; T132-A134 VanDerWaalsContact C-N 3.3Å; T132-A134 PolarHBondContact O-N 3.23Å; A134-V151 HydrophobicContact CB-CG2 4.02Å
135R86.4Confident87.7Confident125 Ų12552 Ų5247%0.47229%0.285SS..  trans-135150.3-179.3-63.2-172.9-172-141.80.2111.4I73 E76 Q133I73-R135 PolarHBondContact O-N 2.82Å; E76-R135 HydrophobicContact CG-CB 3.98Å; E76-R135 HydrophobicContact CG-CG 4.41Å; E76-R135 WeakPolarHBondContact OE1-CD 3.31Å; E76-R135 IonicContact OE1-CZ 2.75Å; E76-R135 IonicContact OE1-NE 3.64Å; E76-R135 IonicContact OE1-NH1 2.69Å; E76-R135 PolarHBondContact OE1-NH1 2.76Å; Q133-R135 WeakPolarHBondContact O-CG 3.39Å; Q133-R135 PolarHBondContact O-N 2.95Å
136F87.5Confident87.7Confident47 Ų4753.1 Ų53.121%0.20630%0.295CS..  trans-163.9155.4179.656.4-89.5000111.5T78 T83 G138 A144 V147T78-F136 CarbonylContact O-C 3.53Å; T78-F136 VanDerWaalsContact O-CA 3.3Å; T78-F136 WeakPolarHBondContact O-CA 3.44Å; T78-F136 WeakPolarHBondContact O-CB 3.5Å; T83-F136 HydrophobicContact CG2-CB 4.17Å; T83-F136 HydrophobicContact CG2-CD1 4.47Å; T83-F136 VanDerWaalsContact OG1-CB 3.3Å; T83-F136 WeakPolarHBondContact OG1-CB 3.11Å; F136-G138 PolarHBondContact O-N 2.8Å; F136-A144 HydrophobicContact CE2-CB 3.61Å; F136-A144 HydrophobicContact CZ-CB 3.9Å; F136-V147 HydrophobicContact CD1-CB 4.42Å; F136-V147 HydrophobicContact CD1-CG1 3.68Å; F136-V147 HydrophobicContact CE1-CB 3.93Å; F136-V147 HydrophobicContact CE1-CG1 3.47Å; F136-V147 VanDerWaalsContact CE1-CG1 3.47Å; F136-V147 HydrophobicContact CG-CG1 4.41Å; F136-V147 HydrophobicContact CZ-CB 3.97Å; F136-V147 HydrophobicContact CZ-CG1 4.05Å
137V79.2Confident87.7Confident66 Ų6652 Ų5240%0.429%0.285SS..BIsolated β-bridgetrans-68116.1171.1-1740000109.6E76 T78 T139E76-V137 WeakPolarHBondContact O-CG2 3.45Å; T78-V137 PolarHBondContact O-N 2.96Å; V137-T139 HydrophobicContact CG1-CG2 4.34Å; V137-T139 PolarHBondContact O-N 3.37Å
138G71.5Confident87.7Confident61 Ų6153.9 Ų53.963%0.62930%0.295SS*.  trans-72.489.1175.600000112.5F136F136-G138 PolarHBondContact O-N 2.8Å
139T75.8Confident87.7Confident89 Ų8957.4 Ų57.455%0.54631%0.312SS..SBendtrans-81.8-33178.749.60000113.9T79 V137T79-T139 HydrophobicContact CG2-CG2 4.23Å; V137-T139 HydrophobicContact CG1-CG2 4.34Å; V137-T139 PolarHBondContact O-N 3.37Å
140D81.8Confident87.7Confident64 Ų6458.7 Ų58.734%0.34232%0.316SS..  trans-153.1132177.5147.849.4000108.1R142 S143 A144D140-R142 VanDerWaalsContact C-N 3.26Å; D140-R142 PolarHBondContact O-N 2.84Å; D140-R142 PolarHBondContact OD1-N 2.93Å; D140-R142 WeakPolarHBondContact OD2-CB 3.49Å; D140-S143 PolarHBondContact O-N 3.46Å; D140-S143 PolarHBondContact O-OG 2.78Å; D140-S143 WeakPolarHBondContact OD2-CB 3.48Å; D140-S143 PolarHBondContact OD2-N 2.79Å; D140-A144 PolarHBondContact O-N 3.32Å
141P83.6Confident87.8Confident103 Ų10358.8 Ų58.867%0.66932%0.317SS*.Hα-helixtrans-58.5-32.2179.623.5-34.4000113.7A144 E145P141-A144 WeakPolarHBondContact O-CB 3.33Å; P141-A144 PolarHBondContact O-N 3.05Å; P141-E145 PolarHBondContact O-N 2.84Å
142R85.2Confident87.8Confident200 Ų20058.8 Ų58.876%0.75532%0.316SS*.Hα-helixtrans-68.3-43.9176.5-63.3175.3173.3173.1-2.3111.1D140 A144 E145 V146D140-R142 VanDerWaalsContact C-N 3.26Å; D140-R142 PolarHBondContact O-N 2.84Å; D140-R142 PolarHBondContact OD1-N 2.93Å; D140-R142 WeakPolarHBondContact OD2-CB 3.49Å; R142-A144 VanDerWaalsContact C-N 3.26Å; R142-A144 PolarHBondContact O-N 3.23Å; R142-E145 PolarHBondContact O-N 2.81Å; R142-V146 WeakPolarHBondContact O-CG2 2.84Å; R142-V146 PolarHBondContact O-N 3.35Å; R142-V146 VanDerWaalsContact O-N 3.1Å
143S86.2Confident87.9Confident25 Ų2562.2 Ų62.218%0.17533%0.331CS..Hα-helixtrans-60.3-36172.276.40000112.3D140 V146 V147D140-S143 PolarHBondContact O-N 3.46Å; D140-S143 PolarHBondContact O-OG 2.78Å; D140-S143 WeakPolarHBondContact OD2-CB 3.48Å; D140-S143 PolarHBondContact OD2-N 2.79Å; S143-V146 PolarHBondContact O-N 3.45Å; S143-V147 WeakPolarHBondContact O-CG2 3.42Å; S143-V147 PolarHBondContact O-N 2.91Å; S143-V147 VanDerWaalsContact O-N 3.13Å
144A89.1Confident88.2Confident19 Ų1958.4 Ų58.416%0.15731%0.313CS..Hα-helixtrans-65.9-44.3176.300000112.2F136 D140 P141 R142 V146 V147 L148F136-A144 HydrophobicContact CE2-CB 3.61Å; F136-A144 HydrophobicContact CZ-CB 3.9Å; D140-A144 PolarHBondContact O-N 3.32Å; P141-A144 WeakPolarHBondContact O-CB 3.33Å; P141-A144 PolarHBondContact O-N 3.05Å; R142-A144 VanDerWaalsContact C-N 3.26Å; R142-A144 PolarHBondContact O-N 3.23Å; A144-V146 VanDerWaalsContact C-N 3.31Å; A144-V146 PolarHBondContact O-N 3.2Å; A144-V147 PolarHBondContact O-N 3.42Å; A144-V147 VanDerWaalsContact O-N 3.14Å; A144-L148 WeakPolarHBondContact O-CG 3.2Å; A144-L148 PolarHBondContact O-N 3.29Å
145E91.8Very high88.5Confident48 Ų4857.2 Ų57.222%0.22430%0.303CS..Hα-helixtrans-62.5-36.7174.5-71.7-165.5167.500112.5P141 R142 V147 L148 M149 L188 S189 L192P141-E145 PolarHBondContact O-N 2.84Å; R142-E145 PolarHBondContact O-N 2.81Å; E145-V147 VanDerWaalsContact C-N 3.31Å; E145-V147 PolarHBondContact O-N 3.11Å; E145-L148 PolarHBondContact O-N 3.35Å; E145-M149 WeakPolarHBondContact O-CB 3.36Å; E145-M149 PolarHBondContact O-N 3.5Å; E145-L188 HydrophobicContact CG-CD2 4.42Å; E145-S189 VanDerWaalsContact CD-OG 3.31Å; E145-S189 WeakPolarHBondContact OE1-CB 3.48Å; E145-S189 PolarHBondContact OE1-N 3.41Å; E145-S189 PolarHBondContact OE1-OG 3.41Å; E145-S189 WeakPolarHBondContact OE2-CB 3.35Å; E145-S189 PolarHBondContact OE2-OG 3.33Å; E145-L192 HydrophobicContact CB-CD2 3.93Å; E145-L192 HydrophobicContact CG-CD2 3.79Å
146V91Very high88.9Confident75 Ų7554.8 Ų54.846%0.45529%0.294SS..Hα-helixtrans-63.8-35.6173.8172.50000111.7R142 S143 A144 K150R142-V146 WeakPolarHBondContact O-CG2 2.84Å; R142-V146 PolarHBondContact O-N 3.35Å; R142-V146 VanDerWaalsContact O-N 3.1Å; S143-V146 PolarHBondContact O-N 3.45Å; A144-V146 VanDerWaalsContact C-N 3.31Å; A144-V146 PolarHBondContact O-N 3.2Å; V146-K150 WeakPolarHBondContact O-CG 3.4Å; V146-K150 PolarHBondContact O-N 2.8Å; V146-K150 VanDerWaalsContact O-N 3.14Å
147V92.5Very high89.2Confident4 Ų453.1 Ų53.12%0.02429%0.288CS..Hα-helixtrans-68.8-45.4173.61780000111.1G80 T83 L87 F136 S143 A144 E145 M149 K150 V151G80-V147 WeakPolarHBondContact O-CG2 3.36Å; T83-V147 HydrophobicContact CG2-CG1 4.48Å; L87-V147 HydrophobicContact CD1-CG1 3.78Å; F136-V147 HydrophobicContact CD1-CB 4.42Å; F136-V147 HydrophobicContact CD1-CG1 3.68Å; F136-V147 HydrophobicContact CE1-CB 3.93Å; F136-V147 HydrophobicContact CE1-CG1 3.47Å; F136-V147 VanDerWaalsContact CE1-CG1 3.47Å; F136-V147 HydrophobicContact CG-CG1 4.41Å; F136-V147 HydrophobicContact CZ-CB 3.97Å; F136-V147 HydrophobicContact CZ-CG1 4.05Å; S143-V147 WeakPolarHBondContact O-CG2 3.42Å; S143-V147 PolarHBondContact O-N 2.91Å; S143-V147 VanDerWaalsContact O-N 3.13Å; A144-V147 PolarHBondContact O-N 3.42Å; A144-V147 VanDerWaalsContact O-N 3.14Å; E145-V147 VanDerWaalsContact C-N 3.31Å; E145-V147 PolarHBondContact O-N 3.11Å; V147-M149 VanDerWaalsContact C-N 3.28Å; V147-M149 PolarHBondContact O-N 3.09Å; V147-K150 WeakPolarHBondContact O-CA 3.17Å; V147-K150 WeakPolarHBondContact O-CB 3Å; V147-K150 PolarHBondContact O-N 3.14Å; V147-V151 PolarHBondContact O-N 3.2Å
148L93.2Very high90Very high41 Ų4150 Ų5022%0.21527%0.269CS..Hα-helixtrans-59.8-38.6175.3-68173.1000112A144 E145 K150 V151 L152 I182 L188 L192A144-L148 WeakPolarHBondContact O-CG 3.2Å; A144-L148 PolarHBondContact O-N 3.29Å; E145-L148 PolarHBondContact O-N 3.35Å; L148-K150 VanDerWaalsContact C-N 3.3Å; L148-K150 PolarHBondContact O-N 3.41Å; L148-V151 PolarHBondContact O-N 2.71Å; L148-L152 WeakPolarHBondContact O-CG 3.4Å; L148-L152 PolarHBondContact O-N 2.64Å; L148-I182 HydrophobicContact CD2-CD1 4.27Å; L148-L188 HydrophobicContact CD1-CD1 4.38Å; L148-L188 HydrophobicContact CD1-CD2 4.2Å; L148-L192 HydrophobicContact CB-CD1 4.26Å; L148-L192 HydrophobicContact CB-CD2 3.9Å; L148-L192 HydrophobicContact CD1-CD2 3.97Å
149M93.2Very high91Very high75 Ų7547.1 Ų47.137%0.36924%0.239SC..Hα-helixtrans-63.6-34.9174.1-166.2171.665.600112.3E145 V147 H153 L192 T195E145-M149 WeakPolarHBondContact O-CB 3.36Å; E145-M149 PolarHBondContact O-N 3.5Å; V147-M149 VanDerWaalsContact C-N 3.28Å; V147-M149 PolarHBondContact O-N 3.09Å; M149-H153 PolarHBondContact O-N 2.94Å; M149-L192 HydrophobicContact CB-CD1 3.93Å; M149-L192 HydrophobicContact CG-CD1 4.49Å; M149-T195 HydrophobicContact CG-CG2 4.02Å; M149-T195 HydrophobicContact SD-CG2 4.4Å
150K93.7Very high91.8Very high64 Ų6446.1 Ų46.128%0.27823%0.23SC..Hα-helixtrans-72.2-35.9172.9-72.1-175179.1-150.30113G84 L87 T88 V146 V147 L148 H153 L154G84-K150 WeakPolarHBondContact O-CD 3.48Å; G84-K150 WeakPolarHBondContact O-CE 3.29Å; G84-K150 PolarHBondContact O-NZ 2.83Å; L87-K150 HydrophobicContact CB-CB 4.12Å; L87-K150 HydrophobicContact CD1-CB 3.91Å; T88-K150 WeakPolarHBondContact OG1-CE 3.27Å; T88-K150 PolarHBondContact OG1-NZ 3.15Å; V146-K150 WeakPolarHBondContact O-CG 3.4Å; V146-K150 PolarHBondContact O-N 2.8Å; V146-K150 VanDerWaalsContact O-N 3.14Å; V147-K150 WeakPolarHBondContact O-CA 3.17Å; V147-K150 WeakPolarHBondContact O-CB 3Å; V147-K150 PolarHBondContact O-N 3.14Å; L148-K150 VanDerWaalsContact C-N 3.3Å; L148-K150 PolarHBondContact O-N 3.41Å; K150-H153 PolarHBondContact O-N 2.76Å; K150-L154 WeakPolarHBondContact O-CB 3.49Å; K150-L154 PolarHBondContact O-N 3.39Å
151V95.2Very high92.3Very high4 Ų444.3 Ų44.32%0.02422%0.221CC..Hα-helixtrans-60.9-48.2171.6174.20000110L87 S131 A134 V147 L148 H153 L154 L155L87-V151 HydrophobicContact CD1-CG2 3.65Å; L87-V151 HydrophobicContact CD2-CG2 3.97Å; S131-V151 VanDerWaalsContact O-CG1 3.3Å; S131-V151 WeakPolarHBondContact O-CG1 3.49Å; A134-V151 HydrophobicContact CB-CG2 4.02Å; V147-V151 PolarHBondContact O-N 3.2Å; L148-V151 PolarHBondContact O-N 2.71Å; V151-H153 VanDerWaalsContact C-N 3.34Å; V151-H153 PolarHBondContact O-N 3.33Å; V151-L154 PolarHBondContact O-N 3.25Å; V151-L155 HydrophobicContact CG1-CD1 3.88Å; V151-L155 HydrophobicContact CG1-CG 4.29Å; V151-L155 WeakPolarHBondContact O-CB 3.5Å; V151-L155 VanDerWaalsContact O-CG 3.32Å; V151-L155 WeakPolarHBondContact O-CG 3.31Å; V151-L155 PolarHBondContact O-N 2.95Å
152L94.8Very high92.4Very high0 Ų043.8 Ų43.80%022%0.217CC..Hα-helixtrans-57-44.8175.3-73.2170.3000112.5L148 R156 C179 I182 L192 A196L148-L152 WeakPolarHBondContact O-CG 3.4Å; L148-L152 PolarHBondContact O-N 2.64Å; L152-R156 VanDerWaalsContact O-CB 3.27Å; L152-R156 WeakPolarHBondContact O-CB 3.47Å; L152-R156 PolarHBondContact O-N 3.04Å; L152-C179 HydrophobicContact CD2-CB 4.3Å; L152-I182 HydrophobicContact CD1-CD1 4.47Å; L152-I182 HydrophobicContact CD1-CG2 4.02Å; L152-I182 HydrophobicContact CD2-CD1 3.94Å; L152-I182 HydrophobicContact CG-CD1 4.01Å; L152-L192 HydrophobicContact CD1-CD1 3.73Å; L152-A196 HydrophobicContact CD1-CB 3.69Å; L152-A196 HydrophobicContact CD2-CB 3.94Å; L152-A196 HydrophobicContact CG-CB 4.48Å
153H94.9Very high92.4Very high90 Ų9034.2 Ų34.242%0.41718%0.181SC..Hα-helixtrans-64.2-47.8179-14597000111.5D91 M149 K150 V151 L155 R156 T157D91-H153 IonicContact OD1-CD2 2.69Å; D91-H153 IonicContact OD2-CD2 3.47Å; M149-H153 PolarHBondContact O-N 2.94Å; K150-H153 PolarHBondContact O-N 2.76Å; V151-H153 VanDerWaalsContact C-N 3.34Å; V151-H153 PolarHBondContact O-N 3.33Å; H153-L155 PolarHBondContact O-N 2.98Å; H153-R156 WeakPolarHBondContact O-CB 3.38Å; H153-R156 PolarHBondContact O-N 2.82Å; H153-T157 PolarHBondContact O-N 2.72Å; H153-T157 PolarHBondContact O-OG1 3.15Å
154L95.9Very high92.5Very high0 Ų033 Ų330%017%0.173CC..Hα-helixtrans-58.4-46.6177.8173.858.8000112.1L87 V90 D91 L94 I127 S131 K150 V151 R156 T157 L158L87-L154 HydrophobicContact CD2-CD2 3.48Å; L87-L154 VanDerWaalsContact CD2-CD2 3.48Å; V90-L154 HydrophobicContact CB-CD1 4.18Å; V90-L154 HydrophobicContact CB-CD2 4.38Å; V90-L154 HydrophobicContact CG1-CD1 3.87Å; V90-L154 HydrophobicContact CG1-CD2 4.41Å; D91-L154 HydrophobicContact CB-CB 4.47Å; D91-L154 HydrophobicContact CB-CD1 3.99Å; L94-L154 HydrophobicContact CD1-CD1 3.44Å; L94-L154 VanDerWaalsContact CD1-CD1 3.44Å; I127-L154 HydrophobicContact CG2-CD1 4.28Å; S131-L154 VanDerWaalsContact OG-CD2 3.25Å; S131-L154 WeakPolarHBondContact OG-CD2 3.28Å; K150-L154 WeakPolarHBondContact O-CB 3.49Å; K150-L154 PolarHBondContact O-N 3.39Å; V151-L154 PolarHBondContact O-N 3.25Å; L154-R156 VanDerWaalsContact C-N 3.34Å; L154-R156 PolarHBondContact O-N 3.2Å; L154-T157 PolarHBondContact O-N 2.99Å; L154-L158 WeakPolarHBondContact O-CB 3.45Å; L154-L158 PolarHBondContact O-N 3.15Å
155L95.6Very high92.3Very high1 Ų133.9 Ų33.91%0.00518%0.18CC..Hα-helixtrans-65.1-36.7178-70.7-178.2000112.5S131 T132 V151 H153 L158 L159 I175 M203S131-L155 VanDerWaalsContact CB-CD2 3.41Å; T132-L155 HydrophobicContact CG2-CD1 4.5Å; V151-L155 HydrophobicContact CG1-CD1 3.88Å; V151-L155 HydrophobicContact CG1-CG 4.29Å; V151-L155 WeakPolarHBondContact O-CB 3.5Å; V151-L155 VanDerWaalsContact O-CG 3.32Å; V151-L155 WeakPolarHBondContact O-CG 3.31Å; V151-L155 PolarHBondContact O-N 2.95Å; H153-L155 PolarHBondContact O-N 2.98Å; L155-L158 HydrophobicContact CD2-CD2 4.45Å; L155-L159 PolarHBondContact O-N 3.17Å; L155-I175 HydrophobicContact CB-CG2 4.14Å; L155-I175 HydrophobicContact CD1-CG1 4.5Å; L155-I175 HydrophobicContact CD1-CG2 4.25Å; L155-I175 HydrophobicContact CD2-CD1 4.09Å; L155-I175 HydrophobicContact CD2-CG1 3.75Å; L155-I175 HydrophobicContact CD2-CG2 4.45Å; L155-M203 HydrophobicContact CB-CE 4.13Å
156R95.7Very high92Very high75 Ų7532.8 Ų32.828%0.28318%0.176SC..Hα-helixtrans-64.7-48172.4175.4-178.7177.4-78.7-5.5111.4L152 H153 L154 L158 L159 L160 C199 S202 M203L152-R156 VanDerWaalsContact O-CB 3.27Å; L152-R156 WeakPolarHBondContact O-CB 3.47Å; L152-R156 PolarHBondContact O-N 3.04Å; H153-R156 WeakPolarHBondContact O-CB 3.38Å; H153-R156 PolarHBondContact O-N 2.82Å; L154-R156 VanDerWaalsContact C-N 3.34Å; L154-R156 PolarHBondContact O-N 3.2Å; R156-L158 VanDerWaalsContact C-N 3.35Å; R156-L158 PolarHBondContact O-N 3.18Å; R156-L159 PolarHBondContact O-N 3.32Å; R156-L160 HydrophobicContact CG-CD1 3.68Å; R156-L160 WeakPolarHBondContact O-CB 3.33Å; R156-L160 PolarHBondContact O-N 3.46Å; R156-C199 HydrophobicContact CB-CB 4.29Å; R156-S202 PolarHBondContact NE-OG 3.18Å; R156-M203 HydrophobicContact CB-CE 4.02Å
157T94.6Very high91.9Very high12 Ų1229.2 Ų29.27%0.07415%0.154CC..Hα-helixtrans-58.8-46.5177-57.20000110.8D91 L94 H153 L154 L159 L160 V161D91-T157 VanDerWaalsContact OD1-CB 3.25Å; D91-T157 WeakPolarHBondContact OD1-CB 3.32Å; D91-T157 PolarHBondContact OD1-OG1 2.93Å; L94-T157 HydrophobicContact CB-CG2 3.73Å; L94-T157 HydrophobicContact CD1-CG2 4.49Å; H153-T157 PolarHBondContact O-N 2.72Å; H153-T157 PolarHBondContact O-OG1 3.15Å; L154-T157 PolarHBondContact O-N 2.99Å; T157-L159 VanDerWaalsContact C-N 3.34Å; T157-L159 PolarHBondContact O-N 2.84Å; T157-L160 PolarHBondContact O-N 3.41Å; T157-V161 HydrophobicContact CG2-CG1 4.16Å; T157-V161 WeakPolarHBondContact O-CG1 3.24Å; T157-V161 WeakPolarHBondContact O-CG2 3.38Å; T157-V161 PolarHBondContact O-N 2.9Å
158L94.9Very high91.9Very high0 Ų029.6 Ų29.60%016%0.157CC..Hα-helixtrans-54.5-44.2-178.5-176.667.6000113.1L94 V124 I127 A128 L154 L155 R156 V161 G164 I175L94-L158 HydrophobicContact CD1-CB 4.13Å; L94-L158 HydrophobicContact CD1-CD1 3.95Å; L94-L158 HydrophobicContact CD2-CD1 3.66Å; L94-L158 HydrophobicContact CG-CD1 4.47Å; V124-L158 HydrophobicContact CG1-CD1 4.08Å; I127-L158 HydrophobicContact CB-CD1 4.16Å; I127-L158 HydrophobicContact CB-CD2 4.46Å; I127-L158 HydrophobicContact CD1-CD1 4.36Å; I127-L158 HydrophobicContact CG2-CD1 3.96Å; I127-L158 HydrophobicContact CG2-CD2 4.09Å; A128-L158 HydrophobicContact CB-CD2 3.95Å; L154-L158 WeakPolarHBondContact O-CB 3.45Å; L154-L158 PolarHBondContact O-N 3.15Å; L155-L158 HydrophobicContact CD2-CD2 4.45Å; R156-L158 VanDerWaalsContact C-N 3.35Å; R156-L158 PolarHBondContact O-N 3.18Å; L158-V161 WeakPolarHBondContact O-CG2 3.49Å; L158-G164 WeakPolarHBondContact O-CA 3.47Å; L158-I175 HydrophobicContact CD2-CD1 4.12Å
159L93.4Very high91.7Very high0 Ų029.2 Ų29.20%016%0.155CC..Hα-helixtrans-75.3-37.4179.2-73.2168.9000112.7L155 R156 T157 V167 I172 I175 M203 L206 F207L155-L159 PolarHBondContact O-N 3.17Å; R156-L159 PolarHBondContact O-N 3.32Å; T157-L159 VanDerWaalsContact C-N 3.34Å; T157-L159 PolarHBondContact O-N 2.84Å; L159-V167 HydrophobicContact CD2-CB 4.45Å; L159-V167 HydrophobicContact CD2-CG2 4.07Å; L159-I172 HydrophobicContact CD2-CD1 3.97Å; L159-I172 HydrophobicContact CD2-CG1 4.13Å; L159-I175 HydrophobicContact CD1-CG2 3.93Å; L159-M203 HydrophobicContact CD1-CB 4.33Å; L159-M203 HydrophobicContact CD1-CE 4.13Å; L159-M203 HydrophobicContact CD1-CG 3.72Å; L159-M203 HydrophobicContact CD1-SD 3.93Å; L159-L206 HydrophobicContact CB-CD2 4.24Å; L159-L206 WeakPolarHBondContact O-CD2 3.32Å; L159-F207 HydrophobicContact CD1-CZ 3.88Å; L159-F207 HydrophobicContact CD2-CE1 4.22Å; L159-F207 HydrophobicContact CD2-CZ 4.01Å
160L92.6Very high91.5Very high69 Ų6932.6 Ų32.636%0.36116%0.163SC..Hα-helixtrans-76.1-27.5-176.1-79.5163.3000114.3R156 T157 L206R156-L160 HydrophobicContact CG-CD1 3.68Å; R156-L160 WeakPolarHBondContact O-CB 3.33Å; R156-L160 PolarHBondContact O-N 3.46Å; T157-L160 PolarHBondContact O-N 3.41Å; L160-L206 HydrophobicContact CD2-CB 4.46Å; L160-L206 HydrophobicContact CD2-CD1 4.34Å; L160-L206 HydrophobicContact CD2-CD2 4.21Å; L160-L206 HydrophobicContact CG-CD2 4.48Å
161V91.2Very high91.4Very high26 Ų2629.9 Ų29.916%0.15815%0.153CC..SBendtrans-69.3155.6173.2-650000111.3L94 T157 L158 A163 G164L94-V161 HydrophobicContact CB-CG1 4.45Å; L94-V161 HydrophobicContact CD2-CG2 3.88Å; T157-V161 HydrophobicContact CG2-CG1 4.16Å; T157-V161 WeakPolarHBondContact O-CG1 3.24Å; T157-V161 WeakPolarHBondContact O-CG2 3.38Å; T157-V161 PolarHBondContact O-N 2.9Å; L158-V161 WeakPolarHBondContact O-CG2 3.49Å; V161-A163 VanDerWaalsContact C-N 3.27Å; V161-A163 HydrophobicContact CG2-CB 4.49Å; V161-A163 PolarHBondContact O-N 2.94Å; V161-G164 WeakPolarHBondContact O-CA 3.41Å; V161-G164 PolarHBondContact O-N 2.89Å
162P86.1Confident91.3Very high91 Ų9129.7 Ų29.759%0.59115%0.152SC*.G310 helixtrans-55.1-38.2-177.7-28.936.6000114.3L101 G164 A165L101-P162 HydrophobicContact CD1-CB 4.12Å; L101-P162 VanDerWaalsContact CD1-O 3.29Å; L101-P162 WeakPolarHBondContact CD1-O 3.35Å; P162-G164 PolarHBondContact O-N 3.1Å; P162-A165 WeakPolarHBondContact O-CB 3.1Å; P162-A165 PolarHBondContact O-N 3.39Å; P162-A165 VanDerWaalsContact O-N 3.11Å
163A85.6Confident91.2Very high0 Ų034 Ų340%017%0.168CC..G310 helixtrans-62.1-21.7176.300000113.6L99 I120 V124 V161 A165 L166L99-A163 HydrophobicContact CB-CB 4.07Å; I120-A163 HydrophobicContact CG2-CB 4.12Å; V124-A163 HydrophobicContact CG2-CB 3.88Å; V161-A163 VanDerWaalsContact C-N 3.27Å; V161-A163 HydrophobicContact CG2-CB 4.49Å; V161-A163 PolarHBondContact O-N 2.94Å; A163-A165 PolarHBondContact O-N 3.19Å; A163-A165 VanDerWaalsContact O-N 3.09Å; A163-L166 WeakPolarHBondContact O-CB 3.46Å; A163-L166 PolarHBondContact O-N 3.48Å
164G87.3Confident91.1Very high0 Ų031.6 Ų31.60%016%0.157CC..G310 helixtrans-62.8-9.7172.600000114.5L158 V161 P162 L166 V167L158-G164 WeakPolarHBondContact O-CA 3.47Å; V161-G164 WeakPolarHBondContact O-CA 3.41Å; V161-G164 PolarHBondContact O-N 2.89Å; P162-G164 PolarHBondContact O-N 3.1Å; G164-L166 VanDerWaalsContact C-N 3.25Å; G164-V167 WeakPolarHBondContact O-CG2 3.27Å
165A85.1Confident91Very high36 Ų3631.6 Ų31.630%0.29816%0.157SC..G310 helixtrans-72.3-14.916800000113.7P162 A163 P255P162-A165 WeakPolarHBondContact O-CB 3.1Å; P162-A165 PolarHBondContact O-N 3.39Å; P162-A165 VanDerWaalsContact O-N 3.11Å; A163-A165 PolarHBondContact O-N 3.19Å; A163-A165 VanDerWaalsContact O-N 3.09Å; A165-P255 WeakPolarHBondContact O-CB 3.44Å
166L86.3Confident90.9Very high26 Ų2632 Ų3214%0.13616%0.159CC..G310 helixtrans-96.50.5179.2-58.4180000114.2L101 L117 I120 A163 G164L101-L166 HydrophobicContact CD2-CD1 3.91Å; L101-L166 HydrophobicContact CD2-CG 4.3Å; L117-L166 HydrophobicContact CD2-CD1 3.93Å; L117-L166 HydrophobicContact CD2-CD2 3.92Å; I120-L166 HydrophobicContact CB-CD1 4.18Å; I120-L166 HydrophobicContact CG2-CD1 3.84Å; A163-L166 WeakPolarHBondContact O-CB 3.46Å; A163-L166 PolarHBondContact O-N 3.48Å; G164-L166 VanDerWaalsContact C-N 3.25Å
167V89Confident90.7Very high0 Ų035.2 Ų35.20%018%0.177CC..  trans-65.7136.9177.4-171.20000108.9V124 L159 G164 A171 I172 I175 Y256V124-V167 HydrophobicContact CG1-CB 4.36Å; V124-V167 HydrophobicContact CG1-CG2 3.39Å; L159-V167 HydrophobicContact CD2-CB 4.45Å; L159-V167 HydrophobicContact CD2-CG2 4.07Å; G164-V167 WeakPolarHBondContact O-CG2 3.27Å; V167-A171 HydrophobicContact CG1-CB 3.5Å; V167-A171 VanDerWaalsContact CG1-CB 3.5Å; V167-I172 HydrophobicContact CB-CD1 4.18Å; V167-I172 HydrophobicContact CB-CG1 3.89Å; V167-I172 HydrophobicContact CG1-CD1 4.29Å; V167-I172 HydrophobicContact CG1-CG1 3.46Å; V167-I172 VanDerWaalsContact CG1-CG1 3.46Å; V167-I175 HydrophobicContact CG1-CD1 4.41Å; V167-Y256 WeakPolarHBondContact O-CB 3.33Å; V167-Y256 PolarHBondContact O-N 2.85Å
168S91Very high90.6Very high12 Ų1235 Ų358%0.08418%0.176CC..  trans-78.6157179.668.90000113.3E125 R170 A171 I172 Q254E125-S168 VanDerWaalsContact OE1-CB 3.27Å; E125-S168 WeakPolarHBondContact OE1-CB 3.48Å; E125-S168 PolarHBondContact OE1-OG 2.71Å; S168-R170 PolarHBondContact O-N 3.41Å; S168-R170 VanDerWaalsContact O-N 3.16Å; S168-A171 PolarHBondContact O-N 3.24Å; S168-A171 PolarHBondContact OG-N 2.98Å; S168-I172 PolarHBondContact O-N 3.29Å; S168-Q254 WeakPolarHBondContact CA-O 3.38Å
169D89.3Confident90.5Very high32 Ų3235 Ų3517%0.17118%0.176CC..Hα-helixtrans-51.9-37.5176-76.6-14.7000112.6R173 Y256 T257 T260D169-R173 PolarHBondContact O-N 3.46Å; D169-R173 VanDerWaalsContact O-N 3.08Å; D169-Y256 WeakPolarHBondContact OD1-CA 3.34Å; D169-Y256 VanDerWaalsContact OD1-CB 3.24Å; D169-Y256 WeakPolarHBondContact OD1-CB 3.39Å; D169-T257 PolarHBondContact OD1-N 3.4Å; D169-T257 PolarHBondContact OD1-OG1 2.93Å; D169-T257 WeakPolarHBondContact OD2-CG2 3.48Å; D169-T257 PolarHBondContact OD2-OG1 3.18Å; D169-T260 WeakPolarHBondContact CA-OG1 3.37Å; D169-T260 VanDerWaalsContact CB-OG1 3.23Å; D169-T260 WeakPolarHBondContact CB-OG1 3.48Å; D169-T260 VanDerWaalsContact CG-OG1 3.27Å; D169-T260 PolarHBondContact O-OG1 3.02Å; D169-T260 PolarHBondContact OD1-OG1 2.77Å; D169-T260 VanDerWaalsContact OD1-OG1 3.13Å
170R90.6Very high90.5Very high146 Ų14636.3 Ų36.355%0.55118%0.182SC*.Hα-helixtrans-64.8-52.2174.5178.2-176.2162.9-148.7-20.6111.3S168 I172 R173 E174S168-R170 PolarHBondContact O-N 3.41Å; S168-R170 VanDerWaalsContact O-N 3.16Å; R170-I172 VanDerWaalsContact C-N 3.31Å; R170-I172 PolarHBondContact O-N 2.86Å; R170-R173 WeakPolarHBondContact O-CB 3.44Å; R170-R173 PolarHBondContact O-N 3.04Å; R170-E174 IonicContact CZ-OE1 2.95Å; R170-E174 IonicContact NE-OE1 3.38Å; R170-E174 PolarHBondContact NE-OE1 3.37Å; R170-E174 IonicContact NH2-OE1 2.79Å; R170-E174 PolarHBondContact NH2-OE1 2.94Å; R170-E174 IonicContact NH2-OE2 2.76Å; R170-E174 PolarHBondContact O-N 3.34Å
171A91.6Very high90.4Very high7 Ų740.3 Ų40.36%0.05819%0.192CC..Hα-helixtrans-63.5-37.3-177.800000111.7E125 A128 V167 S168 E174 I175E125-A171 HydrophobicContact CG-CB 4.37Å; A128-A171 HydrophobicContact CB-CB 3.92Å; V167-A171 HydrophobicContact CG1-CB 3.5Å; V167-A171 VanDerWaalsContact CG1-CB 3.5Å; S168-A171 PolarHBondContact O-N 3.24Å; S168-A171 PolarHBondContact OG-N 2.98Å; A171-E174 PolarHBondContact O-N 2.84Å; A171-I175 WeakPolarHBondContact O-CB 3.38Å; A171-I175 WeakPolarHBondContact O-CG1 3.27Å; A171-I175 PolarHBondContact O-N 3.28Å
172I92.6Very high90.5Very high0 Ų039.3 Ų39.30%019%0.186CC..Hα-helixtrans-66-41174-60-165.8000111.9L159 V167 S168 R170 E174 I175 L176 F207 Y256 T260L159-I172 HydrophobicContact CD2-CD1 3.97Å; L159-I172 HydrophobicContact CD2-CG1 4.13Å; V167-I172 HydrophobicContact CB-CD1 4.18Å; V167-I172 HydrophobicContact CB-CG1 3.89Å; V167-I172 HydrophobicContact CG1-CD1 4.29Å; V167-I172 HydrophobicContact CG1-CG1 3.46Å; V167-I172 VanDerWaalsContact CG1-CG1 3.46Å; S168-I172 PolarHBondContact O-N 3.29Å; R170-I172 VanDerWaalsContact C-N 3.31Å; R170-I172 PolarHBondContact O-N 2.86Å; I172-E174 PolarHBondContact O-N 3.25Å; I172-I175 PolarHBondContact O-N 3.49Å; I172-L176 HydrophobicContact CG2-CD1 3.76Å; I172-L176 HydrophobicContact CG2-CG 4.13Å; I172-L176 WeakPolarHBondContact O-CB 3.24Å; I172-L176 WeakPolarHBondContact O-CG 3.11Å; I172-L176 PolarHBondContact O-N 2.82Å; I172-F207 HydrophobicContact CD1-CE1 3.75Å; I172-F207 HydrophobicContact CD1-CZ 3.96Å; I172-F207 HydrophobicContact CG2-CE1 4.3Å; I172-F207 HydrophobicContact CG2-CE2 4.1Å; I172-F207 HydrophobicContact CG2-CZ 3.6Å; I172-Y256 HydrophobicContact CD1-CD1 3.46Å; I172-Y256 VanDerWaalsContact CD1-CD1 3.46Å; I172-Y256 HydrophobicContact CD1-CD2 3.9Å; I172-Y256 HydrophobicContact CD1-CE1 4.11Å; I172-Y256 HydrophobicContact CD1-CE2 4.48Å; I172-Y256 HydrophobicContact CD1-CG 3.33Å; I172-T260 HydrophobicContact CB-CG2 3.95Å; I172-T260 HydrophobicContact CG2-CG2 3.57Å
173R92Very high90.7Very high91 Ų9135 Ų3534%0.34316%0.158SC..Hα-helixtrans-52.9-51.2171.3-102.5-173.5-69.2-80.52.2111.8D169 R170 I175 L176 Q177 E263D169-R173 PolarHBondContact O-N 3.46Å; D169-R173 VanDerWaalsContact O-N 3.08Å; R170-R173 WeakPolarHBondContact O-CB 3.44Å; R170-R173 PolarHBondContact O-N 3.04Å; R173-I175 PolarHBondContact O-N 3.14Å; R173-L176 PolarHBondContact O-N 2.57Å; R173-Q177 VanDerWaalsContact O-CB 3.29Å; R173-Q177 WeakPolarHBondContact O-CB 3.39Å; R173-Q177 PolarHBondContact O-N 3.13Å; R173-E263 WeakPolarHBondContact CD-OE2 3.46Å; R173-E263 VanDerWaalsContact CG-OE2 3.31Å; R173-E263 WeakPolarHBondContact CG-OE2 3.45Å; R173-E263 IonicContact CZ-OE1 2.81Å; R173-E263 IonicContact CZ-OE2 3.97Å; R173-E263 IonicContact NE-OE2 3.11Å; R173-E263 IonicContact NH1-OE1 3.56Å; R173-E263 PolarHBondContact NH1-OE1 2.89Å; R173-E263 IonicContact NH1-OE2 3.53Å; R173-E263 PolarHBondContact NH1-OE2 3.36Å
174E92.3Very high90.9Very high40 Ų4037.7 Ų37.719%0.18717%0.17CC..Hα-helixtrans-65.2-39.3-178.5-67.3-177.3-156.400112.4T132 R170 A171 I172 S178T132-E174 HydrophobicContact CG2-CB 3.88Å; T132-E174 PolarHBondContact OG1-OE2 2.65Å; R170-E174 IonicContact CZ-OE1 2.95Å; R170-E174 IonicContact NE-OE1 3.38Å; R170-E174 PolarHBondContact NE-OE1 3.37Å; R170-E174 IonicContact NH2-OE1 2.79Å; R170-E174 PolarHBondContact NH2-OE1 2.94Å; R170-E174 IonicContact NH2-OE2 2.76Å; R170-E174 PolarHBondContact O-N 3.34Å; A171-E174 PolarHBondContact O-N 2.84Å; I172-E174 PolarHBondContact O-N 3.25Å; E174-S178 WeakPolarHBondContact O-CB 3.37Å; E174-S178 PolarHBondContact O-N 2.9Å
175I94.1Very high91Very high0 Ų040.6 Ų40.60%018%0.184CC..Hα-helixtrans-60.2-54.6174-70.8171.2000110.5A128 T132 L155 L158 L159 V167 A171 I172 R173 Q177 S178 C179 M203A128-I175 HydrophobicContact CB-CD1 3.89Å; A128-I175 HydrophobicContact CB-CG1 4.33Å; T132-I175 HydrophobicContact CG2-CG1 4.01Å; L155-I175 HydrophobicContact CB-CG2 4.14Å; L155-I175 HydrophobicContact CD1-CG1 4.5Å; L155-I175 HydrophobicContact CD1-CG2 4.25Å; L155-I175 HydrophobicContact CD2-CD1 4.09Å; L155-I175 HydrophobicContact CD2-CG1 3.75Å; L155-I175 HydrophobicContact CD2-CG2 4.45Å; L158-I175 HydrophobicContact CD2-CD1 4.12Å; L159-I175 HydrophobicContact CD1-CG2 3.93Å; V167-I175 HydrophobicContact CG1-CD1 4.41Å; A171-I175 WeakPolarHBondContact O-CB 3.38Å; A171-I175 WeakPolarHBondContact O-CG1 3.27Å; A171-I175 PolarHBondContact O-N 3.28Å; I172-I175 PolarHBondContact O-N 3.49Å; R173-I175 PolarHBondContact O-N 3.14Å; I175-Q177 VanDerWaalsContact C-N 3.34Å; I175-Q177 PolarHBondContact O-N 2.57Å; I175-S178 PolarHBondContact O-N 3.41Å; I175-C179 PolarHBondContact O-N 2.75Å; I175-C179 PolarHBondContact O-SG 2.91Å; I175-C179 VanDerWaalsContact O-SG 3.41Å; I175-M203 HydrophobicContact CG2-CE 4.13Å; I175-M203 HydrophobicContact CG2-SD 4.32Å
176L93Very high90.9Very high9 Ų943.6 Ų43.65%0.04720%0.2CC..Hα-helixtrans-58-46.6179.9-75.8171.3000111.1I172 R173 S178 C179 F180 L200 F207 T260 L264I172-L176 HydrophobicContact CG2-CD1 3.76Å; I172-L176 HydrophobicContact CG2-CG 4.13Å; I172-L176 WeakPolarHBondContact O-CB 3.24Å; I172-L176 WeakPolarHBondContact O-CG 3.11Å; I172-L176 PolarHBondContact O-N 2.82Å; R173-L176 PolarHBondContact O-N 2.57Å; L176-S178 VanDerWaalsContact C-N 3.34Å; L176-S178 PolarHBondContact O-N 3.3Å; L176-C179 PolarHBondContact O-N 2.93Å; L176-F180 HydrophobicContact CB-CD2 4.27Å; L176-F180 HydrophobicContact CB-CE2 4.15Å; L176-F180 HydrophobicContact CD2-CE2 4.31Å; L176-F180 WeakPolarHBondContact O-CD2 3.35Å; L176-F180 PolarHBondContact O-N 3.02Å; L176-L200 HydrophobicContact CD2-CD2 3.97Å; L176-F207 HydrophobicContact CD2-CE2 4.27Å; L176-T260 HydrophobicContact CD1-CG2 4.35Å; L176-L264 HydrophobicContact CD1-CB 4.2Å; L176-L264 HydrophobicContact CD1-CD1 4.02Å; L176-L264 HydrophobicContact CD1-CD2 4.32Å; L176-L264 HydrophobicContact CD1-CG 4.4Å; L176-L264 HydrophobicContact CD2-CD1 4.06Å
177Q91.8Very high91Very high142 Ų14250.3 Ų50.366%0.66423%0.228SC*.Hα-helixtrans-65.5-35.9-179.4-165.6171.916.600112.3R173 I175 R181R173-Q177 VanDerWaalsContact O-CB 3.29Å; R173-Q177 WeakPolarHBondContact O-CB 3.39Å; R173-Q177 PolarHBondContact O-N 3.13Å; I175-Q177 VanDerWaalsContact C-N 3.34Å; I175-Q177 PolarHBondContact O-N 2.57Å; Q177-R181 VanDerWaalsContact O-CB 3.24Å; Q177-R181 WeakPolarHBondContact O-CB 3.4Å; Q177-R181 PolarHBondContact O-N 3.16Å
178S92.1Very high91Very high8 Ų852 Ų526%0.05624%0.237CC..Hα-helixtrans-65.1-43.5172-165.70000111.7E174 I175 L176 R181 I182E174-S178 WeakPolarHBondContact O-CB 3.37Å; E174-S178 PolarHBondContact O-N 2.9Å; I175-S178 PolarHBondContact O-N 3.41Å; L176-S178 VanDerWaalsContact C-N 3.34Å; L176-S178 PolarHBondContact O-N 3.3Å; S178-R181 PolarHBondContact O-N 2.94Å; S178-R181 PolarHBondContact OG-NH2 2.76Å; S178-R181 VanDerWaalsContact OG-NH2 3.16Å; S178-I182 WeakPolarHBondContact O-CG1 3.26Å; S178-I182 PolarHBondContact O-N 3.17Å; S178-I182 VanDerWaalsContact O-N 3.12Å
179C94Very high91Very high0 Ų053.2 Ų53.20%025%0.246CC..Hα-helixtrans-64.5-46.9176.3-710000112.7L152 I175 L176 R181 I182 C183 L200L152-C179 HydrophobicContact CD2-CB 4.3Å; I175-C179 PolarHBondContact O-N 2.75Å; I175-C179 PolarHBondContact O-SG 2.91Å; I175-C179 VanDerWaalsContact O-SG 3.41Å; L176-C179 PolarHBondContact O-N 2.93Å; C179-R181 PolarHBondContact O-N 3.06Å; C179-I182 PolarHBondContact O-N 3.35Å; C179-C183 WeakPolarHBondContact O-CB 3.23Å; C179-C183 PolarHBondContact O-N 3.16Å; C179-L200 HydrophobicContact CB-CD1 4.26Å; C179-L200 HydrophobicContact CB-CD2 3.64Å; C179-L200 HydrophobicContact CB-CG 3.84Å
180F92.7Very high91Very high27 Ų2757.2 Ų57.212%0.11826%0.263CS..Hα-helixtrans-61.6-41.8175.6-75.6-59.2000111.9L176 I182 C183 F184 L200 L264 L268 L288L176-F180 HydrophobicContact CB-CD2 4.27Å; L176-F180 HydrophobicContact CB-CE2 4.15Å; L176-F180 HydrophobicContact CD2-CE2 4.31Å; L176-F180 WeakPolarHBondContact O-CD2 3.35Å; L176-F180 PolarHBondContact O-N 3.02Å; F180-I182 VanDerWaalsContact C-N 3.32Å; F180-I182 PolarHBondContact O-N 3.17Å; F180-C183 PolarHBondContact O-N 2.91Å; F180-C183 VanDerWaalsContact O-N 3.16Å; F180-F184 HydrophobicContact CB-CD2 4.25Å; F180-F184 HydrophobicContact CB-CE2 4.11Å; F180-F184 AromaticContact CD1-CE2 3.69Å; F180-F184 HydrophobicContact CD1-CE2 3.69Å; F180-F184 AromaticContact CD1-CZ 3.77Å; F180-F184 HydrophobicContact CD1-CZ 3.77Å; F180-F184 HydrophobicContact CE1-CZ 4.31Å; F180-F184 HydrophobicContact CG-CE2 4.24Å; F180-F184 WeakPolarHBondContact O-CB 3.47Å; F180-F184 WeakPolarHBondContact O-CD2 3.31Å; F180-F184 WeakPolarHBondContact O-CG 3.43Å; F180-F184 PolarHBondContact O-N 2.73Å; F180-L200 HydrophobicContact CD1-CD1 3.71Å; F180-L200 HydrophobicContact CD1-CD2 4.3Å; F180-L200 HydrophobicContact CD2-CD2 4.47Å; F180-L200 HydrophobicContact CE1-CD1 3.89Å; F180-L200 HydrophobicContact CE1-CD2 4.09Å; F180-L200 HydrophobicContact CE2-CD2 4.27Å; F180-L200 HydrophobicContact CG-CD1 4.36Å; F180-L200 HydrophobicContact CG-CD2 4.47Å; F180-L200 HydrophobicContact CZ-CD2 4.07Å; F180-L264 HydrophobicContact CE2-CD1 4.15Å; F180-L264 HydrophobicContact CZ-CD1 4.01Å; F180-L268 HydrophobicContact CE1-CD2 3.8Å; F180-L268 HydrophobicContact CZ-CD2 3.77Å; F180-L268 HydrophobicContact CZ-CG 4.23Å; F180-L288 HydrophobicContact CE1-CD1 3.88Å
181R91Very high91.1Very high153 Ų15356.3 Ų56.358%0.57727%0.269SS*.Hα-helixtrans-57.1-43.8174.2179-174.662.3-179.7-5.9111.9Q177 S178 C179 E185Q177-R181 VanDerWaalsContact O-CB 3.24Å; Q177-R181 WeakPolarHBondContact O-CB 3.4Å; Q177-R181 PolarHBondContact O-N 3.16Å; S178-R181 PolarHBondContact O-N 2.94Å; S178-R181 PolarHBondContact OG-NH2 2.76Å; S178-R181 VanDerWaalsContact OG-NH2 3.16Å; C179-R181 PolarHBondContact O-N 3.06Å; R181-E185 VanDerWaalsContact O-CB 3.24Å; R181-E185 WeakPolarHBondContact O-CB 3.16Å; R181-E185 PolarHBondContact O-N 3.44Å; R181-E185 VanDerWaalsContact O-N 3.17Å
182I92.6Very high91.1Very high6 Ų656.1 Ų56.13%0.03127%0.267CS..Hα-helixtrans-69-39.8176.9-63.9165.3000110.8L148 L152 S178 C179 F180 L188 L192 A196L148-I182 HydrophobicContact CD2-CD1 4.27Å; L152-I182 HydrophobicContact CD1-CD1 4.47Å; L152-I182 HydrophobicContact CD1-CG2 4.02Å; L152-I182 HydrophobicContact CD2-CD1 3.94Å; L152-I182 HydrophobicContact CG-CD1 4.01Å; S178-I182 WeakPolarHBondContact O-CG1 3.26Å; S178-I182 PolarHBondContact O-N 3.17Å; S178-I182 VanDerWaalsContact O-N 3.12Å; C179-I182 PolarHBondContact O-N 3.35Å; F180-I182 VanDerWaalsContact C-N 3.32Å; F180-I182 PolarHBondContact O-N 3.17Å; I182-L188 HydrophobicContact CB-CD1 4.45Å; I182-L188 HydrophobicContact CG2-CD1 3.91Å; I182-L192 HydrophobicContact CG2-CD1 4.27Å; I182-L192 HydrophobicContact CG2-CD2 4.22Å; I182-L192 HydrophobicContact CG2-CG 3.9Å; I182-A196 HydrophobicContact CB-CB 4.33Å; I182-A196 HydrophobicContact CG2-CB 3.95Å
183C90.9Very high91.2Very high1 Ų159 Ų591%0.00728%0.278CS..Hα-helixtrans-66.1-37.1-179.1-159.70000113.1C179 F180 R193 A196 L200C179-C183 WeakPolarHBondContact O-CB 3.23Å; C179-C183 PolarHBondContact O-N 3.16Å; F180-C183 PolarHBondContact O-N 2.91Å; F180-C183 VanDerWaalsContact O-N 3.16Å; C183-R193 WeakPolarHBondContact O-CD 3.33Å; C183-A196 HydrophobicContact CB-CB 4Å; C183-L200 HydrophobicContact CB-CD1 4Å
184F89.3Confident91.2Very high56 Ų5660 Ų6025%0.24628%0.281CS..Hα-helixtrans-99.7-9.5-173.5-58.7-30.4000115.2F180 P186 V281 I284F180-F184 HydrophobicContact CB-CD2 4.25Å; F180-F184 HydrophobicContact CB-CE2 4.11Å; F180-F184 AromaticContact CD1-CE2 3.69Å; F180-F184 HydrophobicContact CD1-CE2 3.69Å; F180-F184 AromaticContact CD1-CZ 3.77Å; F180-F184 HydrophobicContact CD1-CZ 3.77Å; F180-F184 HydrophobicContact CE1-CZ 4.31Å; F180-F184 HydrophobicContact CG-CE2 4.24Å; F180-F184 WeakPolarHBondContact O-CB 3.47Å; F180-F184 WeakPolarHBondContact O-CD2 3.31Å; F180-F184 WeakPolarHBondContact O-CG 3.43Å; F180-F184 PolarHBondContact O-N 2.73Å; F184-P186 WeakPolarHBondContact O-CD 3.34Å; F184-V281 HydrophobicContact CB-CG2 4.47Å; F184-V281 HydrophobicContact CD1-CB 4.49Å; F184-V281 HydrophobicContact CD1-CG1 4.22Å; F184-V281 HydrophobicContact CD1-CG2 4.1Å; F184-V281 HydrophobicContact CD2-CG1 4.36Å; F184-V281 HydrophobicContact CE1-CB 4.46Å; F184-V281 HydrophobicContact CE1-CG1 3.93Å; F184-V281 HydrophobicContact CE2-CG1 4.08Å; F184-V281 HydrophobicContact CG-CG1 4.44Å; F184-V281 HydrophobicContact CG-CG2 4.24Å; F184-V281 HydrophobicContact CZ-CG1 3.85Å; F184-I284 HydrophobicContact CD1-CD1 4.38Å; F184-I284 HydrophobicContact CE1-CB 4.17Å; F184-I284 HydrophobicContact CE1-CD1 4.36Å; F184-I284 HydrophobicContact CE1-CG2 3.92Å
185E89.2Confident91.2Very high60 Ų6059.5 Ų59.528%0.2828%0.281SS..  trans-74.8108.3178.8171.256.8-10400111.7R181 K187 L188 R193R181-E185 VanDerWaalsContact O-CB 3.24Å; R181-E185 WeakPolarHBondContact O-CB 3.16Å; R181-E185 PolarHBondContact O-N 3.44Å; R181-E185 VanDerWaalsContact O-N 3.17Å; E185-K187 HydrophobicContact CG-CB 4.3Å; E185-K187 PolarHBondContact O-N 3.13Å; E185-K187 VanDerWaalsContact O-N 3.1Å; E185-K187 WeakPolarHBondContact OE1-CB 3.41Å; E185-K187 WeakPolarHBondContact OE1-CG 3.43Å; E185-K187 PolarHBondContact OE1-N 3.08Å; E185-K187 VanDerWaalsContact OE1-N 3.12Å; E185-K187 IonicContact OE1-NZ 2.61Å; E185-K187 PolarHBondContact OE1-NZ 3.06Å; E185-K187 IonicContact OE2-NZ 3.88Å; E185-K187 PolarHBondContact OE2-NZ 3.2Å; E185-L188 HydrophobicContact CB-CD1 4.2Å; E185-L188 HydrophobicContact CB-CG 4.39Å; E185-L188 HydrophobicContact CG-CD1 4.24Å; E185-L188 HydrophobicContact CG-CG 4.01Å; E185-L188 PolarHBondContact O-N 3.43Å; E185-R193 WeakPolarHBondContact O-CD 3.44Å
186P83.5Confident91.3Very high100 Ų10059.5 Ų59.565%0.64928%0.281SS*.THydrogen-bonded Turntrans-69-11.9-171.629.8-38.6000114.6F184 L188F184-P186 WeakPolarHBondContact O-CD 3.34Å; P186-L188 VanDerWaalsContact C-N 3.31Å
187K88Confident91.3Very high166 Ų16660.8 Ų60.872%0.72229%0.287SS*.THydrogen-bonded Turntrans-76-15.4176.3-63.1176.7-148.384.50113.8E185E185-K187 HydrophobicContact CG-CB 4.3Å; E185-K187 PolarHBondContact O-N 3.13Å; E185-K187 VanDerWaalsContact O-N 3.1Å; E185-K187 WeakPolarHBondContact OE1-CB 3.41Å; E185-K187 WeakPolarHBondContact OE1-CG 3.43Å; E185-K187 PolarHBondContact OE1-N 3.08Å; E185-K187 VanDerWaalsContact OE1-N 3.12Å; E185-K187 IonicContact OE1-NZ 2.61Å; E185-K187 PolarHBondContact OE1-NZ 3.06Å; E185-K187 IonicContact OE2-NZ 3.88Å; E185-K187 PolarHBondContact OE2-NZ 3.2Å
188L90.3Very high91.5Very high35 Ų3559.9 Ų59.918%0.18329%0.286CS..SBendtrans-89.4148.1-178.9-62.4178000111.8E145 L148 I182 E185 P186 L192 R193E145-L188 HydrophobicContact CG-CD2 4.42Å; L148-L188 HydrophobicContact CD1-CD1 4.38Å; L148-L188 HydrophobicContact CD1-CD2 4.2Å; I182-L188 HydrophobicContact CB-CD1 4.45Å; I182-L188 HydrophobicContact CG2-CD1 3.91Å; E185-L188 HydrophobicContact CB-CD1 4.2Å; E185-L188 HydrophobicContact CB-CG 4.39Å; E185-L188 HydrophobicContact CG-CD1 4.24Å; E185-L188 HydrophobicContact CG-CG 4.01Å; E185-L188 PolarHBondContact O-N 3.43Å; P186-L188 VanDerWaalsContact C-N 3.31Å; L188-L192 HydrophobicContact CB-CD2 4.3Å; L188-L192 HydrophobicContact CD1-CD2 4.03Å; L188-L192 HydrophobicContact CD2-CD2 4.22Å; L188-L192 HydrophobicContact CG-CD2 4.42Å; L188-R193 HydrophobicContact CB-CG 4.28Å; L188-R193 PolarHBondContact O-NE 2.94Å
189S91.4Very high91.6Very high39 Ų3959.7 Ų59.727%0.27329%0.285SS..  trans-56.7147.7-179.872.40000112.4E145 L191 L192 R193E145-S189 VanDerWaalsContact CD-OG 3.31Å; E145-S189 WeakPolarHBondContact OE1-CB 3.48Å; E145-S189 PolarHBondContact OE1-N 3.41Å; E145-S189 PolarHBondContact OE1-OG 3.41Å; E145-S189 WeakPolarHBondContact OE2-CB 3.35Å; E145-S189 PolarHBondContact OE2-OG 3.33Å; S189-L191 PolarHBondContact O-N 2.76Å; S189-L192 PolarHBondContact O-N 2.75Å; S189-L192 VanDerWaalsContact O-N 3.13Å; S189-L192 PolarHBondContact OG-N 3.17Å; S189-R193 PolarHBondContact O-N 3Å
190E88.5Confident91.7Very high115 Ų11559.7 Ų59.754%0.53729%0.285SS..Hα-helixtrans-60.5-35178.7-176.3168.3-169.200111.9L192 R193 R194E190-L192 PolarHBondContact O-N 2.69Å; E190-R193 PolarHBondContact O-N 2.72Å; E190-R194 HydrophobicContact CG-CG 3.99Å; E190-R194 WeakPolarHBondContact O-CB 3.34Å; E190-R194 WeakPolarHBondContact O-CG 3.47Å; E190-R194 PolarHBondContact O-N 3.08Å; E190-R194 IonicContact OE1-NE 2.77Å
191L91.6Very high91.8Very high127 Ų12759.2 Ų59.267%0.66529%0.286SS*.Hα-helixtrans-59-45.6174.5-17963.1000111.6S189 T195S189-L191 PolarHBondContact O-N 2.76Å; L191-T195 VanDerWaalsContact O-CB 3.29Å; L191-T195 WeakPolarHBondContact O-CB 3.36Å; L191-T195 PolarHBondContact O-N 3.28Å; L191-T195 PolarHBondContact O-OG1 3.08Å
192L93.4Very high92.1Very high4 Ų452.9 Ų52.92%0.02127%0.265CS..Hα-helixtrans-67.6-41.8177.6-179.259.2000111.5E145 L148 M149 L152 I182 L188 S189 E190 T195 A196E145-L192 HydrophobicContact CB-CD2 3.93Å; E145-L192 HydrophobicContact CG-CD2 3.79Å; L148-L192 HydrophobicContact CB-CD1 4.26Å; L148-L192 HydrophobicContact CB-CD2 3.9Å; L148-L192 HydrophobicContact CD1-CD2 3.97Å; M149-L192 HydrophobicContact CB-CD1 3.93Å; M149-L192 HydrophobicContact CG-CD1 4.49Å; L152-L192 HydrophobicContact CD1-CD1 3.73Å; I182-L192 HydrophobicContact CG2-CD1 4.27Å; I182-L192 HydrophobicContact CG2-CD2 4.22Å; I182-L192 HydrophobicContact CG2-CG 3.9Å; L188-L192 HydrophobicContact CB-CD2 4.3Å; L188-L192 HydrophobicContact CD1-CD2 4.03Å; L188-L192 HydrophobicContact CD2-CD2 4.22Å; L188-L192 HydrophobicContact CG-CD2 4.42Å; S189-L192 PolarHBondContact O-N 2.75Å; S189-L192 VanDerWaalsContact O-N 3.13Å; S189-L192 PolarHBondContact OG-N 3.17Å; E190-L192 PolarHBondContact O-N 2.69Å; L192-T195 PolarHBondContact O-N 2.86Å; L192-A196 PolarHBondContact O-N 3.36Å
193R92.9Very high92.2Very high61 Ų6152.6 Ų52.623%0.2326%0.264CS..Hα-helixtrans-63.7-46.9177.7-70.7-171.8-73110.30.2112.7C183 E185 L188 S189 E190 T195 A196 E197C183-R193 WeakPolarHBondContact O-CD 3.33Å; E185-R193 WeakPolarHBondContact O-CD 3.44Å; L188-R193 HydrophobicContact CB-CG 4.28Å; L188-R193 PolarHBondContact O-NE 2.94Å; S189-R193 PolarHBondContact O-N 3Å; E190-R193 PolarHBondContact O-N 2.72Å; R193-T195 VanDerWaalsContact C-N 3.3Å; R193-T195 PolarHBondContact O-N 2.77Å; R193-A196 WeakPolarHBondContact O-CB 3.49Å; R193-A196 PolarHBondContact O-N 2.86Å; R193-E197 PolarHBondContact O-N 2.73Å
194R92Very high92.4Very high110 Ų11052.6 Ų52.642%0.41526%0.263SS..Hα-helixtrans-66.1-30.6174-65.4-55.5-167.7171.33112.4E190 E197 L198E190-R194 HydrophobicContact CG-CG 3.99Å; E190-R194 WeakPolarHBondContact O-CB 3.34Å; E190-R194 WeakPolarHBondContact O-CG 3.47Å; E190-R194 PolarHBondContact O-N 3.08Å; E190-R194 IonicContact OE1-NE 2.77Å; R194-E197 WeakPolarHBondContact CD-OE2 3.27Å; R194-E197 IonicContact CZ-OE2 3.11Å; R194-E197 IonicContact NE-OE2 3.16Å; R194-E197 VanDerWaalsContact NH1-CD 3.32Å; R194-E197 IonicContact NH1-OE1 3.73Å; R194-E197 PolarHBondContact NH1-OE1 3.26Å; R194-E197 VanDerWaalsContact NH1-OE1 3.11Å; R194-E197 IonicContact NH1-OE2 2.73Å; R194-E197 PolarHBondContact NH1-OE2 2.81Å; R194-E197 PolarHBondContact O-N 3.3Å; R194-L198 WeakPolarHBondContact O-CG 3.49Å; R194-L198 PolarHBondContact O-N 2.98Å
195T93.9Very high92.7Very high30 Ų3054.9 Ų54.918%0.18428%0.275CS..Hα-helixtrans-69.1-38.1171.7-56.80000111.6M149 L191 L192 R193 L198 C199M149-T195 HydrophobicContact CG-CG2 4.02Å; M149-T195 HydrophobicContact SD-CG2 4.4Å; L191-T195 VanDerWaalsContact O-CB 3.29Å; L191-T195 WeakPolarHBondContact O-CB 3.36Å; L191-T195 PolarHBondContact O-N 3.28Å; L191-T195 PolarHBondContact O-OG1 3.08Å; L192-T195 PolarHBondContact O-N 2.86Å; R193-T195 VanDerWaalsContact C-N 3.3Å; R193-T195 PolarHBondContact O-N 2.77Å; T195-L198 PolarHBondContact O-N 3.37Å; T195-C199 PolarHBondContact O-N 2.86Å; T195-C199 PolarHBondContact O-SG 2.77Å
196A94.8Very high92.9Very high0 Ų053.1 Ų53.10%027%0.267CS..Hα-helixtrans-63.5-42.817300000111.9L152 I182 C183 L192 R193 C199 L200L152-A196 HydrophobicContact CD1-CB 3.69Å; L152-A196 HydrophobicContact CD2-CB 3.94Å; L152-A196 HydrophobicContact CG-CB 4.48Å; I182-A196 HydrophobicContact CB-CB 4.33Å; I182-A196 HydrophobicContact CG2-CB 3.95Å; C183-A196 HydrophobicContact CB-CB 4Å; L192-A196 PolarHBondContact O-N 3.36Å; R193-A196 WeakPolarHBondContact O-CB 3.49Å; R193-A196 PolarHBondContact O-N 2.86Å; A196-C199 WeakPolarHBondContact O-CB 3.27Å; A196-C199 PolarHBondContact O-N 3.15Å; A196-L200 PolarHBondContact O-N 2.76Å
197E93.9Very high93.4Very high37 Ų3748.5 Ų48.517%0.17324%0.237CC..Hα-helixtrans-59.7-46.7174-175.4-179176.400112.2R193 R194 C199 L200 A201 I284R193-E197 PolarHBondContact O-N 2.73Å; R194-E197 WeakPolarHBondContact CD-OE2 3.27Å; R194-E197 IonicContact CZ-OE2 3.11Å; R194-E197 IonicContact NE-OE2 3.16Å; R194-E197 VanDerWaalsContact NH1-CD 3.32Å; R194-E197 IonicContact NH1-OE1 3.73Å; R194-E197 PolarHBondContact NH1-OE1 3.26Å; R194-E197 VanDerWaalsContact NH1-OE1 3.11Å; R194-E197 IonicContact NH1-OE2 2.73Å; R194-E197 PolarHBondContact NH1-OE2 2.81Å; R194-E197 PolarHBondContact O-N 3.3Å; E197-C199 VanDerWaalsContact C-N 3.26Å; E197-C199 PolarHBondContact O-N 3.14Å; E197-L200 PolarHBondContact O-N 2.8Å; E197-A201 VanDerWaalsContact O-CB 3.27Å; E197-A201 WeakPolarHBondContact O-CB 3.14Å; E197-A201 PolarHBondContact O-N 2.79Å; E197-I284 HydrophobicContact CG-CG2 4.2Å
198L95Very high93.7Very high122 Ų12240.6 Ų40.664%0.63920%0.203SC*.Hα-helixtrans-63.8-29.8174.8-72.3169.1000113R194 T195 S202R194-L198 WeakPolarHBondContact O-CG 3.49Å; R194-L198 PolarHBondContact O-N 2.98Å; T195-L198 PolarHBondContact O-N 3.37Å; L198-S202 PolarHBondContact O-N 3.28Å; L198-S202 PolarHBondContact O-OG 3.14Å
199C95Very high93.8Very high5 Ų542 Ų423%0.03422%0.216CC..Hα-helixtrans-71.9-48172.1-65.20000111.5R156 T195 A196 E197 A201 S202 M203R156-C199 HydrophobicContact CB-CB 4.29Å; T195-C199 PolarHBondContact O-N 2.86Å; T195-C199 PolarHBondContact O-SG 2.77Å; A196-C199 WeakPolarHBondContact O-CB 3.27Å; A196-C199 PolarHBondContact O-N 3.15Å; E197-C199 VanDerWaalsContact C-N 3.26Å; E197-C199 PolarHBondContact O-N 3.14Å; C199-A201 VanDerWaalsContact C-N 3.34Å; C199-A201 PolarHBondContact O-N 3.46Å; C199-S202 WeakPolarHBondContact O-CB 3.46Å; C199-S202 PolarHBondContact O-N 3.29Å; C199-S202 VanDerWaalsContact O-N 3.13Å; C199-M203 HydrophobicContact CB-CE 4.49Å; C199-M203 VanDerWaalsContact O-CG 3.29Å; C199-M203 WeakPolarHBondContact O-CG 3.08Å; C199-M203 PolarHBondContact O-N 2.71Å
200L94.9Very high93.8Very high0 Ų042.6 Ų42.60%021%0.212CC..Hα-helixtrans-58.3-44.6174.7-78.3165.4000111.7L176 C179 F180 C183 A196 E197 S202 M203 I204 L288L176-L200 HydrophobicContact CD2-CD2 3.97Å; C179-L200 HydrophobicContact CB-CD1 4.26Å; C179-L200 HydrophobicContact CB-CD2 3.64Å; C179-L200 HydrophobicContact CB-CG 3.84Å; F180-L200 HydrophobicContact CD1-CD1 3.71Å; F180-L200 HydrophobicContact CD1-CD2 4.3Å; F180-L200 HydrophobicContact CD2-CD2 4.47Å; F180-L200 HydrophobicContact CE1-CD1 3.89Å; F180-L200 HydrophobicContact CE1-CD2 4.09Å; F180-L200 HydrophobicContact CE2-CD2 4.27Å; F180-L200 HydrophobicContact CG-CD1 4.36Å; F180-L200 HydrophobicContact CG-CD2 4.47Å; F180-L200 HydrophobicContact CZ-CD2 4.07Å; C183-L200 HydrophobicContact CB-CD1 4Å; A196-L200 PolarHBondContact O-N 2.76Å; E197-L200 PolarHBondContact O-N 2.8Å; L200-S202 VanDerWaalsContact C-N 3.33Å; L200-S202 PolarHBondContact O-N 3.1Å; L200-M203 PolarHBondContact O-N 2.71Å; L200-M203 VanDerWaalsContact O-N 3.13Å; L200-I204 WeakPolarHBondContact O-CB 3.48Å; L200-I204 VanDerWaalsContact O-CG1 3.28Å; L200-I204 WeakPolarHBondContact O-CG1 3.35Å; L200-I204 PolarHBondContact O-N 2.97Å; L200-L288 HydrophobicContact CB-CD1 4.1Å; L200-L288 HydrophobicContact CB-CD2 4.11Å; L200-L288 HydrophobicContact CD1-CD1 4.18Å
201A95.7Very high93.8Very high16 Ų1637.1 Ų37.113%0.13219%0.186CC..Hα-helixtrans-52.6-49.1172.200000111.7E197 C199 M203 I204 Q205 L288 I291E197-A201 VanDerWaalsContact O-CB 3.27Å; E197-A201 WeakPolarHBondContact O-CB 3.14Å; E197-A201 PolarHBondContact O-N 2.79Å; C199-A201 VanDerWaalsContact C-N 3.34Å; C199-A201 PolarHBondContact O-N 3.46Å; A201-M203 VanDerWaalsContact C-N 3.34Å; A201-M203 PolarHBondContact O-N 3.24Å; A201-I204 PolarHBondContact O-N 2.87Å; A201-Q205 VanDerWaalsContact O-CB 3.25Å; A201-Q205 WeakPolarHBondContact O-CB 3.41Å; A201-Q205 PolarHBondContact O-N 3.37Å; A201-L288 HydrophobicContact CB-CD2 4.27Å; A201-I291 HydrophobicContact CB-CD1 3.53Å
202S96.4Very high93.5Very high21 Ų2133.4 Ų33.415%0.14717%0.17CC..Hα-helixtrans-61.5-39.8177.1-55.20000112.6R156 L198 C199 L200 L206R156-S202 PolarHBondContact NE-OG 3.18Å; L198-S202 PolarHBondContact O-N 3.28Å; L198-S202 PolarHBondContact O-OG 3.14Å; C199-S202 WeakPolarHBondContact O-CB 3.46Å; C199-S202 PolarHBondContact O-N 3.29Å; C199-S202 VanDerWaalsContact O-N 3.13Å; L200-S202 VanDerWaalsContact C-N 3.33Å; L200-S202 PolarHBondContact O-N 3.1Å; S202-L206 PolarHBondContact O-N 3.2Å
203M94.7Very high93.1Very high0 Ų038.6 Ų38.60%020%0.202CC..Hα-helixtrans-71.2-45.4-180-65.1167.3-18000111.8L155 R156 L159 I175 C199 L200 A201 L206 F207L155-M203 HydrophobicContact CB-CE 4.13Å; R156-M203 HydrophobicContact CB-CE 4.02Å; L159-M203 HydrophobicContact CD1-CB 4.33Å; L159-M203 HydrophobicContact CD1-CE 4.13Å; L159-M203 HydrophobicContact CD1-CG 3.72Å; L159-M203 HydrophobicContact CD1-SD 3.93Å; I175-M203 HydrophobicContact CG2-CE 4.13Å; I175-M203 HydrophobicContact CG2-SD 4.32Å; C199-M203 HydrophobicContact CB-CE 4.49Å; C199-M203 VanDerWaalsContact O-CG 3.29Å; C199-M203 WeakPolarHBondContact O-CG 3.08Å; C199-M203 PolarHBondContact O-N 2.71Å; L200-M203 PolarHBondContact O-N 2.71Å; L200-M203 VanDerWaalsContact O-N 3.13Å; A201-M203 VanDerWaalsContact C-N 3.34Å; A201-M203 PolarHBondContact O-N 3.24Å; M203-L206 WeakPolarHBondContact O-CB 3.49Å; M203-L206 PolarHBondContact O-N 3.03Å; M203-F207 HydrophobicContact CB-CE2 4.04Å; M203-F207 WeakPolarHBondContact O-CD2 3.4Å; M203-F207 WeakPolarHBondContact O-CG 3.26Å; M203-F207 PolarHBondContact O-N 2.85Å
204I95.4Very high92.6Very high0 Ų038.1 Ų38.10%020%0.203CC..Hα-helixtrans-63.4-45.5178.3-70.5169000110L200 A201 L206 F207 F208 L264 L268 L288 I291 A292L200-I204 WeakPolarHBondContact O-CB 3.48Å; L200-I204 VanDerWaalsContact O-CG1 3.28Å; L200-I204 WeakPolarHBondContact O-CG1 3.35Å; L200-I204 PolarHBondContact O-N 2.97Å; A201-I204 PolarHBondContact O-N 2.87Å; I204-L206 PolarHBondContact O-N 3.49Å; I204-F207 PolarHBondContact O-N 3.37Å; I204-F207 VanDerWaalsContact O-N 3.12Å; I204-F208 HydrophobicContact CG2-CD2 3.74Å; I204-F208 HydrophobicContact CG2-CE2 4.05Å; I204-F208 WeakPolarHBondContact O-CD2 3.42Å; I204-F208 PolarHBondContact O-N 3.18Å; I204-L264 HydrophobicContact CD1-CD1 4.34Å; I204-L264 HydrophobicContact CG1-CD1 4.2Å; I204-L264 HydrophobicContact CG1-CD2 4.16Å; I204-L268 HydrophobicContact CD1-CD1 3.94Å; I204-L288 HydrophobicContact CD1-CB 3.76Å; I204-L288 HydrophobicContact CD1-CD1 4Å; I204-L288 HydrophobicContact CD1-CD2 4.08Å; I204-L288 HydrophobicContact CD1-CG 4.14Å; I204-I291 HydrophobicContact CG2-CG2 4.45Å; I204-A292 HydrophobicContact CG2-CB 3.91Å
205Q96Very high91.9Very high104 Ų10434.8 Ų34.849%0.48620%0.195SC..Hα-helixtrans-56.2-39.2174.6-161.9-173.913.400111.9A201 S209 I291 T295A201-Q205 VanDerWaalsContact O-CB 3.25Å; A201-Q205 WeakPolarHBondContact O-CB 3.41Å; A201-Q205 PolarHBondContact O-N 3.37Å; Q205-S209 VanDerWaalsContact O-CB 3.23Å; Q205-S209 WeakPolarHBondContact O-CB 3.42Å; Q205-S209 PolarHBondContact O-N 3.14Å; Q205-S209 PolarHBondContact O-OG 2.82Å; Q205-I291 HydrophobicContact CB-CG2 3.97Å; Q205-I291 HydrophobicContact CG-CG2 4.34Å; Q205-T295 HydrophobicContact CG-CG2 3.61Å
206L94.1Very high90.1Very high23 Ų2335.8 Ų35.812%0.1221%0.211CC..Hα-helixtrans-67.9-43.1175.4-17769000112.7L159 L160 S202 M203 I204 S209 R210L159-L206 HydrophobicContact CB-CD2 4.24Å; L159-L206 WeakPolarHBondContact O-CD2 3.32Å; L160-L206 HydrophobicContact CD2-CB 4.46Å; L160-L206 HydrophobicContact CD2-CD1 4.34Å; L160-L206 HydrophobicContact CD2-CD2 4.21Å; L160-L206 HydrophobicContact CG-CD2 4.48Å; S202-L206 PolarHBondContact O-N 3.2Å; M203-L206 WeakPolarHBondContact O-CB 3.49Å; M203-L206 PolarHBondContact O-N 3.03Å; I204-L206 PolarHBondContact O-N 3.49Å; L206-S209 PolarHBondContact O-OG 3.43Å; L206-R210 WeakPolarHBondContact O-CB 3.15Å; L206-R210 WeakPolarHBondContact O-CG 3.27Å; L206-R210 PolarHBondContact O-N 3.36Å; L206-R210 VanDerWaalsContact O-N 3.1Å
207F93.6Very high87.9Confident3 Ų340.5 Ų40.51%0.01323%0.232CC..Hα-helixtrans-67.3-44180-62.3-43.8000112.2L159 I172 L176 M203 I204 R210 L211 Y256 L264L159-F207 HydrophobicContact CD1-CZ 3.88Å; L159-F207 HydrophobicContact CD2-CE1 4.22Å; L159-F207 HydrophobicContact CD2-CZ 4.01Å; I172-F207 HydrophobicContact CD1-CE1 3.75Å; I172-F207 HydrophobicContact CD1-CZ 3.96Å; I172-F207 HydrophobicContact CG2-CE1 4.3Å; I172-F207 HydrophobicContact CG2-CE2 4.1Å; I172-F207 HydrophobicContact CG2-CZ 3.6Å; L176-F207 HydrophobicContact CD2-CE2 4.27Å; M203-F207 HydrophobicContact CB-CE2 4.04Å; M203-F207 WeakPolarHBondContact O-CD2 3.4Å; M203-F207 WeakPolarHBondContact O-CG 3.26Å; M203-F207 PolarHBondContact O-N 2.85Å; I204-F207 PolarHBondContact O-N 3.37Å; I204-F207 VanDerWaalsContact O-N 3.12Å; F207-R210 PolarHBondContact O-N 2.91Å; F207-L211 PolarHBondContact O-N 3.28Å; F207-Y256 AromaticContact CD1-CE2 3.74Å; F207-Y256 HydrophobicContact CD1-CE2 3.74Å; F207-Y256 AromaticContact CD1-CZ 3.82Å; F207-Y256 HydrophobicContact CE1-CE1 4.48Å; F207-Y256 HydrophobicContact CE1-CE2 4.08Å; F207-L264 HydrophobicContact CB-CD2 4.46Å; F207-L264 HydrophobicContact CD2-CD2 3.57Å; F207-L264 HydrophobicContact CE2-CD2 4.26Å; F207-L264 HydrophobicContact CG-CD2 4.39Å
208F94Very high85Confident0 Ų048.1 Ų48.10%026%0.264CS..Hα-helixtrans-74.9-33.2-179.9-78.5-83.4000113.2I204 R210 L211 V261 L264 L265 A292 I300I204-F208 HydrophobicContact CG2-CD2 3.74Å; I204-F208 HydrophobicContact CG2-CE2 4.05Å; I204-F208 WeakPolarHBondContact O-CD2 3.42Å; I204-F208 PolarHBondContact O-N 3.18Å; F208-R210 VanDerWaalsContact C-N 3.33Å; F208-R210 PolarHBondContact O-N 3.16Å; F208-L211 HydrophobicContact CD1-CD2 3.92Å; F208-L211 HydrophobicContact CE1-CD2 4.17Å; F208-L211 VanDerWaalsContact O-CB 3.25Å; F208-L211 WeakPolarHBondContact O-CB 3.4Å; F208-L211 PolarHBondContact O-N 3.35Å; F208-V261 HydrophobicContact CE1-CG1 4.05Å; F208-V261 HydrophobicContact CE2-CG1 4.27Å; F208-V261 HydrophobicContact CZ-CG1 3.83Å; F208-L264 HydrophobicContact CE2-CD2 4.38Å; F208-L265 HydrophobicContact CZ-CB 4.33Å; F208-L265 HydrophobicContact CZ-CD1 4.31Å; F208-A292 HydrophobicContact CD1-CB 4.17Å; F208-A292 HydrophobicContact CD2-CB 3.57Å; F208-A292 HydrophobicContact CE1-CB 4.16Å; F208-A292 HydrophobicContact CE2-CB 3.55Å; F208-A292 HydrophobicContact CG-CB 3.89Å; F208-A292 HydrophobicContact CZ-CB 3.86Å; F208-I300 HydrophobicContact CD1-CD1 3.89Å; F208-I300 HydrophobicContact CD1-CG1 4.06Å; F208-I300 HydrophobicContact CE1-CD1 3.6Å; F208-I300 HydrophobicContact CE1-CG1 3.79Å
209S92.9Very high81.9Confident66 Ų6648 Ų4846%0.46227%0.269SS..Hα-helixtrans-69.6-25.8170.259.20000113.9Q205 L206Q205-S209 VanDerWaalsContact O-CB 3.23Å; Q205-S209 WeakPolarHBondContact O-CB 3.42Å; Q205-S209 PolarHBondContact O-N 3.14Å; Q205-S209 PolarHBondContact O-OG 2.82Å; L206-S209 PolarHBondContact O-OG 3.43Å
210R90.2Very high78.5Confident51 Ų5154.5 Ų54.519%0.19230%0.304CS..Hα-helixtrans-83.8-14.8170.8-73.5176.7177.3173.55113.9L206 F207 F208 P212 T213 L214 Y256L206-R210 WeakPolarHBondContact O-CB 3.15Å; L206-R210 WeakPolarHBondContact O-CG 3.27Å; L206-R210 PolarHBondContact O-N 3.36Å; L206-R210 VanDerWaalsContact O-N 3.1Å; F207-R210 PolarHBondContact O-N 2.91Å; F208-R210 VanDerWaalsContact C-N 3.33Å; F208-R210 PolarHBondContact O-N 3.16Å; R210-P212 VanDerWaalsContact C-CD 3.41Å; R210-P212 VanDerWaalsContact C-N 3.34Å; R210-T213 PolarHBondContact O-N 3.11Å; R210-T213 PolarHBondContact O-OG1 3.37Å; R210-L214 PolarHBondContact O-N 3.22Å; R210-Y256 WeakPolarHBondContact CD-OH 3.49Å; R210-Y256 PolarHBondContact NH1-OH 3.17Å
211L89.5Confident75.3Confident0 Ų065.8 Ų65.80%035%0.346CS..Hα-helixtrans-51.4-38.9-176.5-175.759.9000114.6F207 F208 T213 L214 V215 I258 V261 A299 I300 L306F207-L211 PolarHBondContact O-N 3.28Å; F208-L211 HydrophobicContact CD1-CD2 3.92Å; F208-L211 HydrophobicContact CE1-CD2 4.17Å; F208-L211 VanDerWaalsContact O-CB 3.25Å; F208-L211 WeakPolarHBondContact O-CB 3.4Å; F208-L211 PolarHBondContact O-N 3.35Å; L211-T213 PolarHBondContact O-N 3.46Å; L211-L214 PolarHBondContact O-N 3.32Å; L211-V215 HydrophobicContact CD1-CG2 3.75Å; L211-V215 HydrophobicContact CG-CG2 4.01Å; L211-V215 WeakPolarHBondContact O-CG2 3.46Å; L211-V215 PolarHBondContact O-N 3.22Å; L211-I258 HydrophobicContact CD1-CD1 4.02Å; L211-I258 HydrophobicContact CD1-CG1 4.09Å; L211-V261 HydrophobicContact CD1-CG1 4.29Å; L211-A299 HydrophobicContact CB-CB 4.13Å; L211-A299 HydrophobicContact CD2-CB 3.86Å; L211-A299 HydrophobicContact CG-CB 3.86Å; L211-I300 HydrophobicContact CD2-CG1 3.85Å; L211-L306 HydrophobicContact CD1-CD1 3.8Å; L211-L306 HydrophobicContact CD2-CD1 3.65Å; L211-L306 HydrophobicContact CG-CD1 4.35Å
212P85.5Confident71.9Confident49 Ų4971.3 Ų71.332%0.31838%0.378SS..Hα-helixtrans-54.4-36.5172.9-27.635.1000114.3R210 G216 F217 A299R210-P212 VanDerWaalsContact C-CD 3.41Å; R210-P212 VanDerWaalsContact C-N 3.34Å; P212-G216 PolarHBondContact O-N 3.02Å; P212-F217 HydrophobicContact CB-CD2 3.75Å; P212-F217 HydrophobicContact CB-CE2 3.83Å; P212-F217 WeakPolarHBondContact O-CD2 3.47Å; P212-A299 HydrophobicContact CG-CB 3.96Å
213T84.3Confident68.8Low113 Ų11376 Ų7669%0.69341%0.406SS*.Hα-helixtrans-76-26.7178.6660000112.7R210 L211R210-T213 PolarHBondContact O-N 3.11Å; R210-T213 PolarHBondContact O-OG1 3.37Å; L211-T213 PolarHBondContact O-N 3.46Å
214L83Confident65.4Low50 Ų5084.7 Ų84.726%0.26245%0.446SS..Hα-helixtrans-82.5-33.4178.2-61.4172.4000112.7R210 L211 G216 Y256 V261R210-L214 PolarHBondContact O-N 3.22Å; L211-L214 PolarHBondContact O-N 3.32Å; L214-G216 VanDerWaalsContact C-N 3.27Å; L214-Y256 HydrophobicContact CD1-CD2 4.46Å; L214-Y256 HydrophobicContact CD1-CE2 3.79Å; L214-V261 HydrophobicContact CD1-CG2 4.01Å
215V76.6Confident61.9Low41 Ų4192.9 Ų92.925%0.24848%0.484CS..Hα-helixtrans-73.4-21.2175.2176.40000111.8L211 I258 N302L211-V215 HydrophobicContact CD1-CG2 3.75Å; L211-V215 HydrophobicContact CG-CG2 4.01Å; L211-V215 WeakPolarHBondContact O-CG2 3.46Å; L211-V215 PolarHBondContact O-N 3.22Å; V215-I258 HydrophobicContact CG2-CD1 3.69Å; V215-N302 HydrophobicContact CG1-CB 4.23Å
216G56.9Low58.5Low50 Ų5094.1 Ų94.152%0.51550%0.501SS..THydrogen-bonded Turntrans77.957.4173.900000113.6P212 L214 K218P212-G216 PolarHBondContact O-N 3.02Å; L214-G216 VanDerWaalsContact C-N 3.27Å; G216-K218 PolarHBondContact O-N 3.28Å
217F47.5Very low55.1Low99 Ų9998.9 Ų98.943%0.43453%0.532SS..  trans-56.595.6175-89.7-77.4000112.9P212 T219 N302P212-F217 HydrophobicContact CB-CD2 3.75Å; P212-F217 HydrophobicContact CB-CE2 3.83Å; P212-F217 WeakPolarHBondContact O-CD2 3.47Å; F217-T219 VanDerWaalsContact C-N 3.32Å; F217-T219 HydrophobicContact CB-CG2 4.29Å; F217-T219 PolarHBondContact O-N 3.42Å; F217-T219 VanDerWaalsContact O-N 3.13Å; F217-N302 HydrophobicContact CZ-CB 4.39Å
218K34.2Very low51.8Low197 Ų197104.7 Ų104.786%0.85757%0.567SS**  trans-74.987.4155.6-74.1-178.3178.71740108.3G216 D220G216-K218 PolarHBondContact O-N 3.28Å; K218-D220 PolarHBondContact O-N 2.86Å
219T29.7Very low48.4Very low120 Ų120112.8 Ų112.874%0.73661%0.605SS**  trans-71.963.3171.152.20000111F217F217-T219 VanDerWaalsContact C-N 3.32Å; F217-T219 HydrophobicContact CB-CG2 4.29Å; F217-T219 PolarHBondContact O-N 3.42Å; F217-T219 VanDerWaalsContact O-N 3.13Å
220D24.2Very low45.1Very low142 Ų142117.2 Ų117.276%0.75962%0.623SS**  trans-162.886.9174.8-110-28.7000110.9K218K218-D220 PolarHBondContact O-N 2.86Å
221R26.5Very low41.9Very low236 Ų236124.4 Ų124.489%0.89166%0.658SS**  trans-178.2133140.6-102157.5-164.3-137.7-0.8113.7
222V25Very low38.7Very low132 Ų132130 Ų13080%0.869%0.688SS**  trans-95.3145.4158.5-169.20000107.4
223V31.2Very low35.8Very low121 Ų121133 Ų13373%0.73371%0.71SS**  trans68.1116.3176.4-158.50000116.5
224Q24.1Very low32.9Very low181 Ų181134.5 Ų134.585%0.84672%0.72SS**  -172.1157.9115.2-98.9171.36.800111.9
225Q21.2Very low30.1Very low172 Ų172138.1 Ų138.180%0.80474%0.737SS**  trans-82147.1-172.7-65.9168.8-26.900112T227Q225-T227 PolarHBondContact O-N 2.89Å; Q225-T227 VanDerWaalsContact O-N 3.13Å
226P24.7Very low27.6Very low130 Ų130144.3 Ų144.384%0.84477%0.768SS**  trans-76.796168.731.4-32.5000110.4
227T22Very low26Very low123 Ų123147.1 Ų147.176%0.75578%0.78SS**  trans-72.4136167.5-54.70000109.9Q225 Q229Q225-T227 PolarHBondContact O-N 2.89Å; Q225-T227 VanDerWaalsContact O-N 3.13Å; T227-Q229 PolarHBondContact O-N 3.32Å
228V24.7Very low24.8Very low125 Ų125149.7 Ų149.776%0.75879%0.793SS**  trans-70.8119.1-179.9176.90000111.1
229Q22.1Very low24.3Very low170 Ų170146.3 Ų146.379%0.79479%0.791SS**  trans-163.1137.7152.9-114.9148.579.800113T227T227-Q229 PolarHBondContact O-N 3.32Å
230L23.7Very low23.9Very low160 Ų160147.3 Ų147.384%0.83879%0.792SS**  trans32.5110.8165.2-87.564.5000119.6
231E23.8Very low23.9Very low201 Ų201146.6 Ų146.694%0.93979%0.793SS**  trans-148.662.9133.2-140.5167.6-126.300111.8
232N23Very low23.8Very low117 Ų117146.9 Ų146.963%0.62679%0.794SS**  trans-96.795.5165.4-100.628.6000108.4
233S22.7Very low23.8Very low112 Ų112146.4 Ų146.478%0.78380%0.797SS**  trans171.691.3152.2-82.90000113.1
234T24.8Very low23.5Very low146 Ų146148 Ų14890%0.89680%0.801SS**  -170.9139.2127.411.50000110.1
235M24.2Very low23.6Very low125 Ų125146.8 Ų146.862%0.61680%0.8SS**  trans-78.6166.5165.9-61.1-138.876.500110S237 E591M235-S237 PolarHBondContact O-N 3.12Å; M235-E591 HydrophobicContact CE-CG 4.17Å
236L24.1Very low23.9Very low172 Ų172146.6 Ų146.690%0.90180%0.804SS**  trans-6695.9165.4-7778.3000109.2
237S22Very low24.2Very low109 Ų109148.2 Ų148.276%0.76280%0.8SS**  trans-62.3133.4151.552.60000108.1M235M235-S237 PolarHBondContact O-N 3.12Å
238Q22.8Very low24.5Very low152 Ų152149.3 Ų149.371%0.7181%0.807SS**  trans-60.5155.8174.8-64.3175.2-1.700110.2D240Q238-D240 PolarHBondContact O-N 3.11Å
239P23Very low24.9Very low127 Ų127148.5 Ų148.583%0.82580%0.802SS**  trans-69.383.2168.729.7-33.5000109T241P239-T241 PolarHBondContact O-N 3.36Å
240D22.2Very low25.6Very low141 Ų141148 Ų14875%0.75480%0.804SS**  trans-67125.6-169.8-128.2-29.8000111.1Q238 R242Q238-D240 PolarHBondContact O-N 3.11Å; D240-R242 PolarHBondContact O-N 3.33Å
241T24.1Very low26.7Very low127 Ų127148.6 Ų148.678%0.77980%0.803SS**SBendtrans-88.173.5-171.634.90000111.6P239P239-T241 PolarHBondContact O-N 3.36Å
242R23.8Very low28.2Very low242 Ų242145.3 Ų145.391%0.91379%0.788SS**  trans-173.5124.1157.1-96.1133.8-168.6-176.54.7113.1D240D240-R242 PolarHBondContact O-N 3.33Å
243S24.7Very low29.8Very low122 Ų122140.7 Ų140.785%0.85376%0.764SS**  trans-16052.7151.961.70000111.4
244D25.7Very low31.9Very low154 Ų154142.4 Ų142.482%0.82476%0.76SS**  trans-70.8162.6146-75.5-55.2000108.5
245D26.3Very low34.5Very low156 Ų156138.8 Ų138.883%0.83474%0.738SS**  trans6280179.3-64.2-31.8000116.9
246L28.3Very low37.5Very low167 Ų167133.5 Ų133.587%0.87471%0.712SS**  178.2153.4105.6-94163.9000114.8
247Q29.9Very low40.6Very low165 Ų165127.8 Ų127.877%0.77168%0.684SS**  trans66.293.5170.8-62.7-1695.600118.3V249Q247-V249 PolarHBondContact O-N 3.45Å
248T28.1Very low43.7Very low146 Ų146124.7 Ų124.790%0.89666%0.658SS**  trans-60.5117.9155.550.30000111.5
249V33Very low46.8Very low107 Ų107120.2 Ų120.265%0.64864%0.638SS**  trans-126.7142.4160.3-179.60000106.4Q247 H251Q247-V249 PolarHBondContact O-N 3.45Å; V249-H251 PolarHBondContact O-N 3.38Å
250D36.5Very low49.9Very low159 Ų159114.4 Ų114.485%0.8560%0.599SS**  trans-57103.2-174.9-74-50.6000111.9Q252D250-Q252 PolarHBondContact O-N 3.43Å
251H47.2Very low53.2Low174 Ų174107.7 Ų107.781%0.80656%0.564SS**  trans-71.588.5177.6-73.2-67.1000110.2V249V249-H251 PolarHBondContact O-N 3.38Å
252Q55.6Low56.4Low132 Ų132102 Ų10262%0.61753%0.529SS*.  trans-63.7131161.1-66.9-173-11.500108.9N118 D250 Q254N118-Q252 PolarHBondContact ND2-NE2 3Å; D250-Q252 PolarHBondContact O-N 3.43Å; Q252-Q254 PolarHBondContact O-N 2.87Å
253P56.5Low59.6Low20 Ų2093.3 Ų93.313%0.1350%0.499CS..  trans-65.8107.4179.324.3-32.4000110.3L122L122-P253 HydrophobicContact CD2-CG 4.01Å; L122-P253 HydrophobicContact CG-CG 4.12Å
254Q67.7Low62.9Low148 Ų14887.6 Ų87.669%0.69246%0.459SS*.PPolyproline II helixtrans-81.5144.9168.7-70.6-167.2-1.200110.1S168 Q252S168-Q254 WeakPolarHBondContact CA-O 3.38Å; Q252-Q254 PolarHBondContact O-N 2.87Å
255P79.7Confident66.2Low69 Ų6980.4 Ų80.445%0.44842%0.42SS..PPolyproline II helixtrans-62.4145.7174.129.4-36.6000110.7A165A165-P255 WeakPolarHBondContact O-CB 3.44Å
256Y86.5Confident69.4Low15 Ų1575 Ų756%0.05939%0.394CS..PPolyproline II helixtrans-57.6150.6-176.175.8-82.4000114V167 D169 I172 F207 R210 L214V167-Y256 WeakPolarHBondContact O-CB 3.33Å; V167-Y256 PolarHBondContact O-N 2.85Å; D169-Y256 WeakPolarHBondContact OD1-CA 3.34Å; D169-Y256 VanDerWaalsContact OD1-CB 3.24Å; D169-Y256 WeakPolarHBondContact OD1-CB 3.39Å; I172-Y256 HydrophobicContact CD1-CD1 3.46Å; I172-Y256 VanDerWaalsContact CD1-CD1 3.46Å; I172-Y256 HydrophobicContact CD1-CD2 3.9Å; I172-Y256 HydrophobicContact CD1-CE1 4.11Å; I172-Y256 HydrophobicContact CD1-CE2 4.48Å; I172-Y256 HydrophobicContact CD1-CG 3.33Å; F207-Y256 AromaticContact CD1-CE2 3.74Å; F207-Y256 HydrophobicContact CD1-CE2 3.74Å; F207-Y256 AromaticContact CD1-CZ 3.82Å; F207-Y256 HydrophobicContact CE1-CE1 4.48Å; F207-Y256 HydrophobicContact CE1-CE2 4.08Å; R210-Y256 WeakPolarHBondContact CD-OH 3.49Å; R210-Y256 PolarHBondContact NH1-OH 3.17Å; L214-Y256 HydrophobicContact CD1-CD2 4.46Å; L214-Y256 HydrophobicContact CD1-CE2 3.79Å
257T87.9Confident72.5Confident52 Ų5271.3 Ų71.332%0.31938%0.376SS..  trans-110.4-176.7-169.773.30000111.7D169 E259D169-T257 PolarHBondContact OD1-N 3.4Å; D169-T257 PolarHBondContact OD1-OG1 2.93Å; D169-T257 WeakPolarHBondContact OD2-CG2 3.48Å; D169-T257 PolarHBondContact OD2-OG1 3.18Å; T257-E259 PolarHBondContact O-N 3.19Å; T257-E259 VanDerWaalsContact OG1-CB 3.26Å; T257-E259 WeakPolarHBondContact OG1-CB 3.43Å; T257-E259 PolarHBondContact OG1-N 2.93Å
258I88.3Confident75.5Confident43 Ų4363.4 Ų63.422%0.22134%0.339CS..Hα-helixtrans-66.8-17.7169.5-161.5166.9000112.5L211 V215 V261 C262 S303 L306L211-I258 HydrophobicContact CD1-CD1 4.02Å; L211-I258 HydrophobicContact CD1-CG1 4.09Å; V215-I258 HydrophobicContact CG2-CD1 3.69Å; I258-V261 PolarHBondContact O-N 3.11Å; I258-V261 VanDerWaalsContact O-N 3.16Å; I258-C262 PolarHBondContact O-N 3.2Å; I258-C262 PolarHBondContact O-SG 3.13Å; I258-S303 WeakPolarHBondContact CD1-OG 3.47Å; I258-L306 HydrophobicContact CD1-CD1 4.36Å; I258-L306 HydrophobicContact CG1-CD1 4.47Å
259E86.8Confident78.7Confident59 Ų5956.6 Ų56.628%0.27630%0.297SS..Hα-helixtrans-61.5-50.2-178-16165-152.400111.4T257 V261 C262 E263 R305T257-E259 PolarHBondContact O-N 3.19Å; T257-E259 VanDerWaalsContact OG1-CB 3.26Å; T257-E259 WeakPolarHBondContact OG1-CB 3.43Å; T257-E259 PolarHBondContact OG1-N 2.93Å; E259-V261 PolarHBondContact O-N 3.21Å; E259-C262 CarbonylContact O-C 3.34Å; E259-C262 WeakPolarHBondContact O-CA 3.3Å; E259-C262 WeakPolarHBondContact O-CB 3.47Å; E259-C262 PolarHBondContact O-N 3.27Å; E259-E263 PolarHBondContact O-N 3.32Å; E259-R305 IonicContact OE1-CZ 3.2Å; E259-R305 IonicContact OE1-NH1 3.45Å; E259-R305 PolarHBondContact OE1-NH1 3.4Å; E259-R305 IonicContact OE1-NH2 3.92Å; E259-R305 PolarHBondContact OE1-NH2 3.16Å; E259-R305 IonicContact OE2-CZ 3.48Å; E259-R305 IonicContact OE2-NH1 3.42Å; E259-R305 PolarHBondContact OE2-NH1 3.07Å; E259-R305 IonicContact OE2-NH2 3.76Å; E259-R305 PolarHBondContact OE2-NH2 3.08Å
260T89Confident81.5Confident4 Ų456.1 Ų56.13%0.02529%0.287CS..Hα-helixtrans-66.8-24.5177.3-59.70000112.6D169 I172 L176 L264D169-T260 WeakPolarHBondContact CA-OG1 3.37Å; D169-T260 VanDerWaalsContact CB-OG1 3.23Å; D169-T260 WeakPolarHBondContact CB-OG1 3.48Å; D169-T260 VanDerWaalsContact CG-OG1 3.27Å; D169-T260 PolarHBondContact O-OG1 3.02Å; D169-T260 PolarHBondContact OD1-OG1 2.77Å; D169-T260 VanDerWaalsContact OD1-OG1 3.13Å; I172-T260 HydrophobicContact CB-CG2 3.95Å; I172-T260 HydrophobicContact CG2-CG2 3.57Å; L176-T260 HydrophobicContact CD1-CG2 4.35Å; T260-L264 WeakPolarHBondContact O-CB 3.29Å; T260-L264 PolarHBondContact O-N 3.04Å
261V92Very high84.1Confident1 Ų149.6 Ų49.61%0.00625%0.254CS..Hα-helixtrans-72.3-36.5170.1-171.40000111.2F208 L211 L214 I258 E259 L265 L306F208-V261 HydrophobicContact CE1-CG1 4.05Å; F208-V261 HydrophobicContact CE2-CG1 4.27Å; F208-V261 HydrophobicContact CZ-CG1 3.83Å; L211-V261 HydrophobicContact CD1-CG1 4.29Å; L214-V261 HydrophobicContact CD1-CG2 4.01Å; I258-V261 PolarHBondContact O-N 3.11Å; I258-V261 VanDerWaalsContact O-N 3.16Å; E259-V261 PolarHBondContact O-N 3.21Å; V261-L265 WeakPolarHBondContact O-CB 3.37Å; V261-L265 PolarHBondContact O-N 2.9Å; V261-L306 HydrophobicContact CG1-CD1 4.5Å
262C91.8Very high86.3Confident8 Ų841.3 Ų41.35%0.05422%0.216CC..Hα-helixtrans-65.8-46173.5-61.50000111.5I258 E259 L265 S266 L306 L309I258-C262 PolarHBondContact O-N 3.2Å; I258-C262 PolarHBondContact O-SG 3.13Å; E259-C262 CarbonylContact O-C 3.34Å; E259-C262 WeakPolarHBondContact O-CA 3.3Å; E259-C262 WeakPolarHBondContact O-CB 3.47Å; E259-C262 PolarHBondContact O-N 3.27Å; C262-L265 PolarHBondContact O-N 2.69Å; C262-S266 VanDerWaalsContact O-CB 3.22Å; C262-S266 WeakPolarHBondContact O-CB 3.46Å; C262-S266 PolarHBondContact O-N 2.96Å; C262-L306 HydrophobicContact CB-CD2 4.08Å; C262-L306 WeakPolarHBondContact SG-CD2 3.29Å; C262-L309 HydrophobicContact CB-CD1 4.48Å; C262-L309 WeakPolarHBondContact O-CD1 3.45Å
263E90.9Very high87.9Confident58 Ų5835.3 Ų35.327%0.27119%0.188SC..Hα-helixtrans-64.6-43.8175.7-72.2178.5-163.400112.6R173 E259 L265 S266 N267R173-E263 WeakPolarHBondContact CD-OE2 3.46Å; R173-E263 VanDerWaalsContact CG-OE2 3.31Å; R173-E263 WeakPolarHBondContact CG-OE2 3.45Å; R173-E263 IonicContact CZ-OE1 2.81Å; R173-E263 IonicContact CZ-OE2 3.97Å; R173-E263 IonicContact NE-OE2 3.11Å; R173-E263 IonicContact NH1-OE1 3.56Å; R173-E263 PolarHBondContact NH1-OE1 2.89Å; R173-E263 IonicContact NH1-OE2 3.53Å; R173-E263 PolarHBondContact NH1-OE2 3.36Å; E259-E263 PolarHBondContact O-N 3.32Å; E263-L265 VanDerWaalsContact C-N 3.35Å; E263-L265 PolarHBondContact O-N 2.85Å; E263-S266 PolarHBondContact O-N 3.02Å; E263-N267 VanDerWaalsContact O-CB 3.32Å; E263-N267 WeakPolarHBondContact O-CB 3.42Å; E263-N267 PolarHBondContact O-N 3.33Å; E263-N267 PolarHBondContact O-ND2 3.09Å
264L93.6Very high88.9Confident3 Ų337 Ų372%0.01620%0.199CC..Hα-helixtrans-56.9-48.7175167.459.3000111.1L176 F180 I204 F207 F208 T260 N267 L268L176-L264 HydrophobicContact CD1-CB 4.2Å; L176-L264 HydrophobicContact CD1-CD1 4.02Å; L176-L264 HydrophobicContact CD1-CD2 4.32Å; L176-L264 HydrophobicContact CD1-CG 4.4Å; L176-L264 HydrophobicContact CD2-CD1 4.06Å; F180-L264 HydrophobicContact CE2-CD1 4.15Å; F180-L264 HydrophobicContact CZ-CD1 4.01Å; I204-L264 HydrophobicContact CD1-CD1 4.34Å; I204-L264 HydrophobicContact CG1-CD1 4.2Å; I204-L264 HydrophobicContact CG1-CD2 4.16Å; F207-L264 HydrophobicContact CB-CD2 4.46Å; F207-L264 HydrophobicContact CD2-CD2 3.57Å; F207-L264 HydrophobicContact CE2-CD2 4.26Å; F207-L264 HydrophobicContact CG-CD2 4.39Å; F208-L264 HydrophobicContact CE2-CD2 4.38Å; T260-L264 WeakPolarHBondContact O-CB 3.29Å; T260-L264 PolarHBondContact O-N 3.04Å; L264-N267 PolarHBondContact O-N 3.49Å; L264-L268 HydrophobicContact CD1-CD1 3.87Å; L264-L268 HydrophobicContact CD1-CG 4.26Å; L264-L268 HydrophobicContact CG-CD1 4.26Å; L264-L268 VanDerWaalsContact O-CG 3.3Å; L264-L268 WeakPolarHBondContact O-CG 3.11Å; L264-L268 PolarHBondContact O-N 3.06Å
265L94.4Very high89.4Confident3 Ų335.3 Ų35.32%0.01619%0.192CC..Hα-helixtrans-65.2-42.5177.6-173.559.5000111.4F208 V261 C262 E263 L268 I269 L306 V310F208-L265 HydrophobicContact CZ-CB 4.33Å; F208-L265 HydrophobicContact CZ-CD1 4.31Å; V261-L265 WeakPolarHBondContact O-CB 3.37Å; V261-L265 PolarHBondContact O-N 2.9Å; C262-L265 PolarHBondContact O-N 2.69Å; E263-L265 VanDerWaalsContact C-N 3.35Å; E263-L265 PolarHBondContact O-N 2.85Å; L265-L268 PolarHBondContact O-N 3.38Å; L265-I269 HydrophobicContact CD1-CD1 4.14Å; L265-I269 HydrophobicContact CD1-CG1 4.39Å; L265-I269 HydrophobicContact CD2-CD1 4.43Å; L265-I269 HydrophobicContact CG-CD1 3.75Å; L265-I269 HydrophobicContact CG-CG1 4.43Å; L265-I269 WeakPolarHBondContact O-CB 3.26Å; L265-I269 WeakPolarHBondContact O-CD1 3.24Å; L265-I269 WeakPolarHBondContact O-CG1 3.47Å; L265-I269 PolarHBondContact O-N 3.04Å; L265-L306 HydrophobicContact CB-CD2 4.35Å; L265-L306 HydrophobicContact CD2-CB 4.42Å; L265-L306 HydrophobicContact CD2-CD2 3.82Å; L265-V310 HydrophobicContact CD2-CG2 4.31Å
266S94.7Very high89.4Confident41 Ų4138.4 Ų38.429%0.28720%0.199SC..Hα-helixtrans-59.7-46176.5-1720000112.2C262 E263 L268 I269 H270C262-S266 VanDerWaalsContact O-CB 3.22Å; C262-S266 WeakPolarHBondContact O-CB 3.46Å; C262-S266 PolarHBondContact O-N 2.96Å; E263-S266 PolarHBondContact O-N 3.02Å; S266-L268 PolarHBondContact O-N 3.18Å; S266-I269 PolarHBondContact O-N 3.41Å; S266-H270 WeakPolarHBondContact O-CB 3.47Å; S266-H270 PolarHBondContact O-N 3.25Å
267N91.5Very high89.3Confident90 Ų9040 Ų4048%0.48121%0.209SC..Hα-helixtrans-64.6-40.2178.2-73.3-38.2000112.2E263 L264 S271E263-N267 VanDerWaalsContact O-CB 3.32Å; E263-N267 WeakPolarHBondContact O-CB 3.42Å; E263-N267 PolarHBondContact O-N 3.33Å; E263-N267 PolarHBondContact O-ND2 3.09Å; L264-N267 PolarHBondContact O-N 3.49Å; N267-S271 WeakPolarHBondContact O-CB 3.49Å; N267-S271 PolarHBondContact O-N 3.34Å; N267-S271 VanDerWaalsContact O-N 3.07Å; N267-S271 PolarHBondContact O-OG 3.07Å
268L94.5Very high89.2Confident0 Ų044.9 Ų44.90%023%0.226CC..Hα-helixtrans-64.3-42.9173-72.7169.1000111.6F180 I204 L264 L265 S266 S271 L272 L288 I289F180-L268 HydrophobicContact CE1-CD2 3.8Å; F180-L268 HydrophobicContact CZ-CD2 3.77Å; F180-L268 HydrophobicContact CZ-CG 4.23Å; I204-L268 HydrophobicContact CD1-CD1 3.94Å; L264-L268 HydrophobicContact CD1-CD1 3.87Å; L264-L268 HydrophobicContact CD1-CG 4.26Å; L264-L268 HydrophobicContact CG-CD1 4.26Å; L264-L268 VanDerWaalsContact O-CG 3.3Å; L264-L268 WeakPolarHBondContact O-CG 3.11Å; L264-L268 PolarHBondContact O-N 3.06Å; L265-L268 PolarHBondContact O-N 3.38Å; S266-L268 PolarHBondContact O-N 3.18Å; L268-S271 WeakPolarHBondContact O-CB 3.14Å; L268-S271 PolarHBondContact O-N 3.4Å; L268-L272 PolarHBondContact O-N 2.94Å; L268-L288 HydrophobicContact CD2-CB 3.85Å; L268-L288 HydrophobicContact CD2-CD1 3.9Å; L268-I289 HydrophobicContact CB-CD1 3.98Å; L268-I289 HydrophobicContact CB-CG1 3.85Å; L268-I289 HydrophobicContact CD1-CG1 4.38Å
269I94.7Very high89.1Confident2 Ų248 Ų481%0.0124%0.24CC..Hα-helixtrans-62.7-47.3176.7-73.1166.6000111L265 S266 S271 L272 L309 D313 L314 Y317L265-I269 HydrophobicContact CD1-CD1 4.14Å; L265-I269 HydrophobicContact CD1-CG1 4.39Å; L265-I269 HydrophobicContact CD2-CD1 4.43Å; L265-I269 HydrophobicContact CG-CD1 3.75Å; L265-I269 HydrophobicContact CG-CG1 4.43Å; L265-I269 WeakPolarHBondContact O-CB 3.26Å; L265-I269 WeakPolarHBondContact O-CD1 3.24Å; L265-I269 WeakPolarHBondContact O-CG1 3.47Å; L265-I269 PolarHBondContact O-N 3.04Å; S266-I269 PolarHBondContact O-N 3.41Å; I269-S271 PolarHBondContact O-N 3.09Å; I269-L272 VanDerWaalsContact O-CB 3.25Å; I269-L272 WeakPolarHBondContact O-CB 3.41Å; I269-L272 PolarHBondContact O-N 3.24Å; I269-L309 HydrophobicContact CD1-CB 3.9Å; I269-D313 HydrophobicContact CG2-CB 3.63Å; I269-L314 HydrophobicContact CD1-CB 3.8Å; I269-L314 HydrophobicContact CG1-CB 3.9Å; I269-L314 HydrophobicContact CG1-CD1 4.1Å; I269-L314 HydrophobicContact CG1-CG 4.45Å; I269-L314 HydrophobicContact CG2-CB 4.45Å; I269-Y317 HydrophobicContact CG2-CD2 3.82Å; I269-Y317 HydrophobicContact CG2-CE2 3.95Å; I269-Y317 VanDerWaalsContact O-CD2 3.27Å; I269-Y317 WeakPolarHBondContact O-CD2 3.21Å; I269-Y317 WeakPolarHBondContact O-CE2 3.42Å
270H91.7Very high89.1Confident98 Ų9848.6 Ų48.645%0.45425%0.25SS..Hα-helixtrans-65.3-28.6179.4-132.281.7000112.2S266 L272 S273 N277S266-H270 WeakPolarHBondContact O-CB 3.47Å; S266-H270 PolarHBondContact O-N 3.25Å; H270-L272 PolarHBondContact O-N 2.9Å; H270-S273 WeakPolarHBondContact O-CB 3.25Å; H270-S273 PolarHBondContact O-N 3.05Å; H270-S273 VanDerWaalsContact O-N 3.16Å; H270-N277 PolarHBondContact O-ND2 3.38Å
271S91.6Very high89.2Confident22 Ų2249.4 Ų49.415%0.15426%0.255CS..THydrogen-bonded Turntrans-70.1-10.3172.7-57.90000113.7N267 L268 I269 N277 S285N267-S271 WeakPolarHBondContact O-CB 3.49Å; N267-S271 PolarHBondContact O-N 3.34Å; N267-S271 VanDerWaalsContact O-N 3.07Å; N267-S271 PolarHBondContact O-OG 3.07Å; L268-S271 WeakPolarHBondContact O-CB 3.14Å; L268-S271 PolarHBondContact O-N 3.4Å; I269-S271 PolarHBondContact O-N 3.09Å; S271-N277 PolarHBondContact O-ND2 3.27Å; S271-S285 VanDerWaalsContact CB-OG 3.22Å; S271-S285 WeakPolarHBondContact CB-OG 3.49Å
272L93.5Very high89.3Confident0 Ų049.6 Ų49.60%026%0.256CS..THydrogen-bonded Turntrans-82.7-11.4169.5-60.4-176.9000113.7L268 I269 H270 P274 I282 L286 I289 L314 Y317 L318 L321L268-L272 PolarHBondContact O-N 2.94Å; I269-L272 VanDerWaalsContact O-CB 3.25Å; I269-L272 WeakPolarHBondContact O-CB 3.41Å; I269-L272 PolarHBondContact O-N 3.24Å; H270-L272 PolarHBondContact O-N 2.9Å; L272-P274 VanDerWaalsContact O-CD 3.24Å; L272-P274 WeakPolarHBondContact O-CD 3.23Å; L272-P274 VanDerWaalsContact O-N 3.11Å; L272-I282 HydrophobicContact CD2-CG2 4.1Å; L272-L286 HydrophobicContact CD1-CD2 4.3Å; L272-L286 HydrophobicContact CD2-CD2 3.69Å; L272-L286 HydrophobicContact CD2-CG 3.7Å; L272-I289 HydrophobicContact CD1-CD1 3.66Å; L272-I289 HydrophobicContact CD2-CD1 4.18Å; L272-I289 HydrophobicContact CG-CD1 3.92Å; L272-L314 HydrophobicContact CD1-CD1 3.73Å; L272-Y317 HydrophobicContact CB-CD2 4.34Å; L272-Y317 HydrophobicContact CB-CG 4.27Å; L272-L318 HydrophobicContact CD1-CD2 4.5Å; L272-L321 HydrophobicContact CB-CD1 4.21Å; L272-L321 HydrophobicContact CD2-CD1 4.34Å
273S88.4Confident89.3Confident5 Ų551.9 Ų51.94%0.03527%0.272CS..  trans-62.1113.7-175.4-175.90000111.2H270 E275 H276 N277H270-S273 WeakPolarHBondContact O-CB 3.25Å; H270-S273 PolarHBondContact O-N 3.05Å; H270-S273 VanDerWaalsContact O-N 3.16Å; S273-E275 VanDerWaalsContact C-N 3.27Å; S273-E275 PolarHBondContact O-N 3.07Å; S273-H276 PolarHBondContact O-N 2.66Å; S273-N277 PolarHBondContact N-ND2 3.25Å; S273-N277 WeakPolarHBondContact O-CB 3.39Å; S273-N277 PolarHBondContact O-N 3.04Å; S273-N277 PolarHBondContact O-ND2 3.38Å
274P78.4Confident89.3Confident56 Ų5649.7 Ų49.736%0.36426%0.262SS..THydrogen-bonded Turntrans-74.8-17.2-173.331-35.6000113L272 H276 I282 L320 L321L272-P274 VanDerWaalsContact O-CD 3.24Å; L272-P274 WeakPolarHBondContact O-CD 3.23Å; L272-P274 VanDerWaalsContact O-N 3.11Å; P274-H276 VanDerWaalsContact C-N 3.3Å; P274-I282 HydrophobicContact CB-CD1 4.42Å; P274-L320 HydrophobicContact CG-CB 4.41Å; P274-L321 HydrophobicContact CB-CD2 4.33Å
275E78.3Confident89.4Confident113 Ų11349.6 Ų49.653%0.52826%0.262SS..THydrogen-bonded Turntrans-76.8-15.4176.3-65.1-179.6-167.500113.1S273 L704S273-E275 VanDerWaalsContact C-N 3.27Å; S273-E275 PolarHBondContact O-N 3.07Å; E275-L704 WeakPolarHBondContact OE1-CD1 3.23Å
276H78.1Confident89.5Confident133 Ų13349.4 Ų49.462%0.61626%0.261SS*.THydrogen-bonded Turntrans-128.5-29.1-168.6-55-12.9000113.1S273 P274S273-H276 PolarHBondContact O-N 2.66Å; P274-H276 VanDerWaalsContact C-N 3.3Å
277N85.9Confident89.5Confident48 Ų4848.8 Ų48.826%0.25726%0.261SS..SBendtrans-105.7151.7-174.6-61-74.6000111.9H270 S271 S273 V281 I282H270-N277 PolarHBondContact O-ND2 3.38Å; S271-N277 PolarHBondContact O-ND2 3.27Å; S273-N277 PolarHBondContact N-ND2 3.25Å; S273-N277 WeakPolarHBondContact O-CB 3.39Å; S273-N277 PolarHBondContact O-N 3.04Å; S273-N277 PolarHBondContact O-ND2 3.38Å; N277-V281 HydrophobicContact CB-CB 4.43Å; N277-V281 HydrophobicContact CB-CG1 4.38Å; N277-I282 HydrophobicContact CB-CD1 4.34Å; N277-I282 HydrophobicContact CB-CG1 3.93Å
278K86.1Confident89.7Confident155 Ų15544.6 Ų44.667%0.67424%0.239SC*.  trans-78.8147.6171.8-64.4-178.1-179.6-179.90110.2S280 V281 I282K278-S280 PolarHBondContact O-N 3.2Å; K278-S280 VanDerWaalsContact O-N 3.07Å; K278-V281 WeakPolarHBondContact O-CA 3.38Å; K278-V281 WeakPolarHBondContact O-CB 3.34Å; K278-V281 PolarHBondContact O-N 3.47Å; K278-I282 PolarHBondContact O-N 3.04Å; K278-I282 VanDerWaalsContact O-N 3.11Å
279E86.1Confident89.8Confident109 Ų10944.7 Ų44.751%0.50924%0.239SC..Hα-helixtrans-43.8-40.6173.8-174.3173.1-123.600113.9V281 I282 S283 D326E279-V281 VanDerWaalsContact C-N 3.31Å; E279-V281 PolarHBondContact O-N 3.46Å; E279-I282 PolarHBondContact O-N 3.48Å; E279-S283 VanDerWaalsContact O-CB 3.27Å; E279-S283 WeakPolarHBondContact O-CB 3.21Å; E279-S283 PolarHBondContact O-N 3.41Å; E279-D326 WeakPolarHBondContact OE1-CB 2.99Å
280S87Confident89.9Confident72 Ų7245.2 Ų45.250%0.50324%0.242SC..Hα-helixtrans-63-31.5175.561.30000114.4K278 I284K278-S280 PolarHBondContact O-N 3.2Å; K278-S280 VanDerWaalsContact O-N 3.07Å; S280-I284 WeakPolarHBondContact O-CD1 3.14Å; S280-I284 VanDerWaalsContact O-CG1 3.29Å; S280-I284 WeakPolarHBondContact O-CG1 3.5Å; S280-I284 PolarHBondContact O-N 2.61Å
281V91.1Very high90.2Very high20 Ų2042.6 Ų42.612%0.12123%0.231CC..Hα-helixtrans-79.5-40.2176.7176.90000110.2F184 N277 K278 E279 S285F184-V281 HydrophobicContact CB-CG2 4.47Å; F184-V281 HydrophobicContact CD1-CB 4.49Å; F184-V281 HydrophobicContact CD1-CG1 4.22Å; F184-V281 HydrophobicContact CD1-CG2 4.1Å; F184-V281 HydrophobicContact CD2-CG1 4.36Å; F184-V281 HydrophobicContact CE1-CB 4.46Å; F184-V281 HydrophobicContact CE1-CG1 3.93Å; F184-V281 HydrophobicContact CE2-CG1 4.08Å; F184-V281 HydrophobicContact CG-CG1 4.44Å; F184-V281 HydrophobicContact CG-CG2 4.24Å; F184-V281 HydrophobicContact CZ-CG1 3.85Å; N277-V281 HydrophobicContact CB-CB 4.43Å; N277-V281 HydrophobicContact CB-CG1 4.38Å; K278-V281 WeakPolarHBondContact O-CA 3.38Å; K278-V281 WeakPolarHBondContact O-CB 3.34Å; K278-V281 PolarHBondContact O-N 3.47Å; E279-V281 VanDerWaalsContact C-N 3.31Å; E279-V281 PolarHBondContact O-N 3.46Å; V281-S285 VanDerWaalsContact O-CB 3.29Å; V281-S285 WeakPolarHBondContact O-CB 3.14Å; V281-S285 PolarHBondContact O-N 2.61Å; V281-S285 PolarHBondContact O-OG 3.14Å
282I93.3Very high90.4Very high5 Ų541.6 Ų41.63%0.02622%0.224CC..Hα-helixtrans-64.5-47.1177.2-59.2168.6000110.1L272 P274 N277 K278 E279 I284 S285 L286 L321 Q329L272-I282 HydrophobicContact CD2-CG2 4.1Å; P274-I282 HydrophobicContact CB-CD1 4.42Å; N277-I282 HydrophobicContact CB-CD1 4.34Å; N277-I282 HydrophobicContact CB-CG1 3.93Å; K278-I282 PolarHBondContact O-N 3.04Å; K278-I282 VanDerWaalsContact O-N 3.11Å; E279-I282 PolarHBondContact O-N 3.48Å; I282-I284 PolarHBondContact O-N 3.49Å; I282-S285 PolarHBondContact O-N 2.77Å; I282-S285 VanDerWaalsContact O-N 3.15Å; I282-L286 HydrophobicContact CG2-CD1 4.16Å; I282-L286 HydrophobicContact CG2-CG 4.36Å; I282-L286 WeakPolarHBondContact O-CG 3.29Å; I282-L286 PolarHBondContact O-N 3.27Å; I282-L321 HydrophobicContact CD1-CD2 4.46Å; I282-L321 HydrophobicContact CG2-CD1 3.83Å; I282-L321 HydrophobicContact CG2-CD2 3.83Å; I282-Q329 HydrophobicContact CG2-CG 4.47Å
283S92Very high90.4Very high57 Ų5742 Ų4240%0.39923%0.226SC..Hα-helixtrans-56.6-47.1177.7-177.40000112.7E279 G287E279-S283 VanDerWaalsContact O-CB 3.27Å; E279-S283 WeakPolarHBondContact O-CB 3.21Å; E279-S283 PolarHBondContact O-N 3.41Å; S283-G287 PolarHBondContact O-N 3.28Å; S283-G287 VanDerWaalsContact O-N 3.16Å
284I91.6Very high90.7Very high12 Ų1246.1 Ų46.16%0.06225%0.245CC..Hα-helixtrans-64.2-45.7174.9-66.7169000110.4F184 E197 S280 I282 L286 G287 L288F184-I284 HydrophobicContact CD1-CD1 4.38Å; F184-I284 HydrophobicContact CE1-CB 4.17Å; F184-I284 HydrophobicContact CE1-CD1 4.36Å; F184-I284 HydrophobicContact CE1-CG2 3.92Å; E197-I284 HydrophobicContact CG-CG2 4.2Å; S280-I284 WeakPolarHBondContact O-CD1 3.14Å; S280-I284 VanDerWaalsContact O-CG1 3.29Å; S280-I284 WeakPolarHBondContact O-CG1 3.5Å; S280-I284 PolarHBondContact O-N 2.61Å; I282-I284 PolarHBondContact O-N 3.49Å; I284-L286 VanDerWaalsContact C-N 3.35Å; I284-L286 PolarHBondContact O-N 3.07Å; I284-G287 WeakPolarHBondContact O-CA 3.22Å; I284-G287 PolarHBondContact O-N 3.34Å; I284-G287 VanDerWaalsContact O-N 3.08Å; I284-L288 HydrophobicContact CG2-CD1 4.04Å; I284-L288 HydrophobicContact CG2-CG 4.25Å; I284-L288 WeakPolarHBondContact O-CG 3.44Å; I284-L288 PolarHBondContact O-N 2.97Å
285S94.9Very high91.4Very high0 Ų045.9 Ų45.90%024%0.242CC..Hα-helixtrans-61.3-39.7-180-57.30000112.6S271 V281 I282 L288 I289S271-S285 VanDerWaalsContact CB-OG 3.22Å; S271-S285 WeakPolarHBondContact CB-OG 3.49Å; V281-S285 VanDerWaalsContact O-CB 3.29Å; V281-S285 WeakPolarHBondContact O-CB 3.14Å; V281-S285 PolarHBondContact O-N 2.61Å; V281-S285 PolarHBondContact O-OG 3.14Å; I282-S285 PolarHBondContact O-N 2.77Å; I282-S285 VanDerWaalsContact O-N 3.15Å; S285-L288 PolarHBondContact O-N 3.49Å; S285-I289 WeakPolarHBondContact O-CB 3.37Å; S285-I289 VanDerWaalsContact O-CG1 3.28Å; S285-I289 WeakPolarHBondContact O-CG1 3.1Å; S285-I289 PolarHBondContact O-N 3.36Å
286L95.5Very high92Very high0 Ų040.7 Ų40.70%022%0.219CC..Hα-helixtrans-61.3-41.9172-73.8172.1000111.7L272 I282 I284 T290 L318 L321 Q329 A332 V336L272-L286 HydrophobicContact CD1-CD2 4.3Å; L272-L286 HydrophobicContact CD2-CD2 3.69Å; L272-L286 HydrophobicContact CD2-CG 3.7Å; I282-L286 HydrophobicContact CG2-CD1 4.16Å; I282-L286 HydrophobicContact CG2-CG 4.36Å; I282-L286 WeakPolarHBondContact O-CG 3.29Å; I282-L286 PolarHBondContact O-N 3.27Å; I284-L286 VanDerWaalsContact C-N 3.35Å; I284-L286 PolarHBondContact O-N 3.07Å; L286-T290 WeakPolarHBondContact O-CB 3.29Å; L286-T290 PolarHBondContact O-N 3.08Å; L286-T290 PolarHBondContact O-OG1 3.45Å; L286-L318 HydrophobicContact CD2-CD2 3.88Å; L286-L321 HydrophobicContact CD1-CD1 4.46Å; L286-L321 HydrophobicContact CD2-CD1 4.24Å; L286-Q329 HydrophobicContact CD1-CG 4.05Å; L286-A332 HydrophobicContact CB-CB 4.37Å; L286-A332 HydrophobicContact CD1-CB 4Å; L286-V336 HydrophobicContact CD2-CG2 4.06Å
287G95.5Very high92.6Very high28 Ų2834.8 Ų34.829%0.28919%0.194SC..Hα-helixtrans-63.4-42.7175.100000113S283 I284 T290 I291S283-G287 PolarHBondContact O-N 3.28Å; S283-G287 VanDerWaalsContact O-N 3.16Å; I284-G287 WeakPolarHBondContact O-CA 3.22Å; I284-G287 PolarHBondContact O-N 3.34Å; I284-G287 VanDerWaalsContact O-N 3.08Å; G287-T290 WeakPolarHBondContact O-CB 3.39Å; G287-T290 PolarHBondContact O-N 2.9Å; G287-I291 WeakPolarHBondContact O-CG1 3.08Å; G287-I291 PolarHBondContact O-N 3.38Å
288L96.1Very high92.6Very high2 Ų236.7 Ų36.71%0.0120%0.204CC..Hα-helixtrans-70.1-37177.8-64.2-176.1000112.6F180 L200 A201 I204 L268 I284 S285 I291 A292F180-L288 HydrophobicContact CE1-CD1 3.88Å; L200-L288 HydrophobicContact CB-CD1 4.1Å; L200-L288 HydrophobicContact CB-CD2 4.11Å; L200-L288 HydrophobicContact CD1-CD1 4.18Å; A201-L288 HydrophobicContact CB-CD2 4.27Å; I204-L288 HydrophobicContact CD1-CB 3.76Å; I204-L288 HydrophobicContact CD1-CD1 4Å; I204-L288 HydrophobicContact CD1-CD2 4.08Å; I204-L288 HydrophobicContact CD1-CG 4.14Å; L268-L288 HydrophobicContact CD2-CB 3.85Å; L268-L288 HydrophobicContact CD2-CD1 3.9Å; I284-L288 HydrophobicContact CG2-CD1 4.04Å; I284-L288 HydrophobicContact CG2-CG 4.25Å; I284-L288 WeakPolarHBondContact O-CG 3.44Å; I284-L288 PolarHBondContact O-N 2.97Å; S285-L288 PolarHBondContact O-N 3.49Å; L288-I291 PolarHBondContact O-N 3.45Å; L288-A292 PolarHBondContact O-N 2.85Å
289I96.6Very high92.7Very high1 Ų129.6 Ų29.61%0.00517%0.174CC..Hα-helixtrans-68.6-36.3173.1-70.6166.3000111.4L268 L272 S285 I291 A292 L293 L314 V336L268-I289 HydrophobicContact CB-CD1 3.98Å; L268-I289 HydrophobicContact CB-CG1 3.85Å; L268-I289 HydrophobicContact CD1-CG1 4.38Å; L272-I289 HydrophobicContact CD1-CD1 3.66Å; L272-I289 HydrophobicContact CD2-CD1 4.18Å; L272-I289 HydrophobicContact CG-CD1 3.92Å; S285-I289 WeakPolarHBondContact O-CB 3.37Å; S285-I289 VanDerWaalsContact O-CG1 3.28Å; S285-I289 WeakPolarHBondContact O-CG1 3.1Å; S285-I289 PolarHBondContact O-N 3.36Å; I289-I291 VanDerWaalsContact C-N 3.3Å; I289-I291 PolarHBondContact O-N 2.9Å; I289-A292 WeakPolarHBondContact O-CB 3.39Å; I289-A292 PolarHBondContact O-N 3.24Å; I289-L293 HydrophobicContact CG2-CD1 4.38Å; I289-L293 HydrophobicContact CG2-CG 4.5Å; I289-L293 PolarHBondContact O-N 3.45Å; I289-L314 HydrophobicContact CD1-CD1 4.18Å; I289-L314 HydrophobicContact CG2-CD1 4.2Å; I289-V336 HydrophobicContact CG2-CG1 3.88Å
290T97.4Very high93Very high13 Ų1324.4 Ų24.48%0.0815%0.15CC..Hα-helixtrans-53.9-48.3172.6-64.80000110.6L286 G287 A292 L293 E294 R335 V336 L339L286-T290 WeakPolarHBondContact O-CB 3.29Å; L286-T290 PolarHBondContact O-N 3.08Å; L286-T290 PolarHBondContact O-OG1 3.45Å; G287-T290 WeakPolarHBondContact O-CB 3.39Å; G287-T290 PolarHBondContact O-N 2.9Å; T290-A292 PolarHBondContact O-N 2.9Å; T290-L293 PolarHBondContact O-N 2.84Å; T290-E294 HydrophobicContact CG2-CG 4.36Å; T290-E294 WeakPolarHBondContact CG2-OE1 3.08Å; T290-E294 WeakPolarHBondContact O-CB 3.32Å; T290-E294 VanDerWaalsContact O-CG 3.31Å; T290-E294 WeakPolarHBondContact O-CG 3.32Å; T290-E294 PolarHBondContact O-N 2.89Å; T290-R335 HydrophobicContact CG2-CG 4.43Å; T290-R335 VanDerWaalsContact CG2-NE 3.34Å; T290-V336 VanDerWaalsContact OG1-CG2 3.3Å; T290-V336 WeakPolarHBondContact OG1-CG2 3.27Å; T290-L339 HydrophobicContact CG2-CD1 3.87Å
291I96.6Very high92.9Very high43 Ų4321.9 Ų21.922%0.22113%0.133CC..Hα-helixtrans-64.8-38.8179.3-64.4165.8000111.9A201 I204 Q205 G287 L288 I289 E294 T295A201-I291 HydrophobicContact CB-CD1 3.53Å; I204-I291 HydrophobicContact CG2-CG2 4.45Å; Q205-I291 HydrophobicContact CB-CG2 3.97Å; Q205-I291 HydrophobicContact CG-CG2 4.34Å; G287-I291 WeakPolarHBondContact O-CG1 3.08Å; G287-I291 PolarHBondContact O-N 3.38Å; L288-I291 PolarHBondContact O-N 3.45Å; I289-I291 VanDerWaalsContact C-N 3.3Å; I289-I291 PolarHBondContact O-N 2.9Å; I291-E294 PolarHBondContact O-N 3.38Å; I291-T295 PolarHBondContact O-N 2.97Å; I291-T295 VanDerWaalsContact O-N 3.15Å; I291-T295 PolarHBondContact O-OG1 2.67Å
292A95.3Very high92.6Very high1 Ų125.3 Ų25.31%0.00815%0.151CC..Hα-helixtrans-62.5-42176.200000112.2I204 F208 L288 I289 T290 G296I204-A292 HydrophobicContact CG2-CB 3.91Å; F208-A292 HydrophobicContact CD1-CB 4.17Å; F208-A292 HydrophobicContact CD2-CB 3.57Å; F208-A292 HydrophobicContact CE1-CB 4.16Å; F208-A292 HydrophobicContact CE2-CB 3.55Å; F208-A292 HydrophobicContact CG-CB 3.89Å; F208-A292 HydrophobicContact CZ-CB 3.86Å; L288-A292 PolarHBondContact O-N 2.85Å; I289-A292 WeakPolarHBondContact O-CB 3.39Å; I289-A292 PolarHBondContact O-N 3.24Å; T290-A292 PolarHBondContact O-N 2.9Å; A292-G296 WeakPolarHBondContact O-CA 3.03Å; A292-G296 PolarHBondContact O-N 3.4Å
293L95.2Very high92.3Very high9 Ų925.4 Ų25.45%0.04715%0.152CC..Hα-helixtrans-69.3-46174.5-66.6178000111.7I289 T290 T295 G296 A297 I300 V336 L339 L340 M344I289-L293 HydrophobicContact CG2-CD1 4.38Å; I289-L293 HydrophobicContact CG2-CG 4.5Å; I289-L293 PolarHBondContact O-N 3.45Å; T290-L293 PolarHBondContact O-N 2.84Å; L293-T295 PolarHBondContact O-N 3.01Å; L293-T295 VanDerWaalsContact O-N 3.1Å; L293-G296 PolarHBondContact O-N 2.79Å; L293-A297 HydrophobicContact CD2-CB 4.34Å; L293-A297 VanDerWaalsContact O-CB 3.23Å; L293-A297 WeakPolarHBondContact O-CB 3.47Å; L293-A297 PolarHBondContact O-N 3.11Å; L293-A297 VanDerWaalsContact O-N 3.12Å; L293-I300 HydrophobicContact CD2-CD1 4.11Å; L293-V336 HydrophobicContact CD1-CG1 3.81Å; L293-L339 HydrophobicContact CB-CB 4.13Å; L293-L339 HydrophobicContact CB-CD1 4.47Å; L293-L339 HydrophobicContact CD1-CB 4.07Å; L293-L340 HydrophobicContact CD1-CB 4.08Å; L293-L340 HydrophobicContact CD1-CD1 4.19Å; L293-L340 HydrophobicContact CD2-CD1 3.85Å; L293-M344 HydrophobicContact CD2-CE 3.79Å
294E94.6Very high92.1Very high91 Ų9127.8 Ų27.843%0.42517%0.166SC..Hα-helixtrans-60.6-20179.8-75.9175.5-172.800114T290 I291 R335 L339T290-E294 HydrophobicContact CG2-CG 4.36Å; T290-E294 WeakPolarHBondContact CG2-OE1 3.08Å; T290-E294 WeakPolarHBondContact O-CB 3.32Å; T290-E294 VanDerWaalsContact O-CG 3.31Å; T290-E294 WeakPolarHBondContact O-CG 3.32Å; T290-E294 PolarHBondContact O-N 2.89Å; I291-E294 PolarHBondContact O-N 3.38Å; E294-R335 IonicContact OE1-CZ 3.59Å; E294-R335 VanDerWaalsContact OE1-CZ 3.25Å; E294-R335 IonicContact OE1-NE 3.79Å; E294-R335 PolarHBondContact OE1-NE 3.23Å; E294-R335 IonicContact OE1-NH2 2.79Å; E294-R335 PolarHBondContact OE1-NH2 2.92Å; E294-L339 HydrophobicContact CG-CD1 3.73Å; E294-L339 HydrophobicContact CG-CD2 3.92Å; E294-L339 HydrophobicContact CG-CG 4.49Å
295T93Very high91.9Very high51 Ų5133.9 Ų33.931%0.31319%0.189SC..Hα-helixtrans-114.4-19.3176.348.60000116.2Q205 I291 L293Q205-T295 HydrophobicContact CG-CG2 3.61Å; I291-T295 PolarHBondContact O-N 2.97Å; I291-T295 VanDerWaalsContact O-N 3.15Å; I291-T295 PolarHBondContact O-OG1 2.67Å; L293-T295 PolarHBondContact O-N 3.01Å; L293-T295 VanDerWaalsContact O-N 3.1Å
296G90Very high91.8Very high4 Ų433.9 Ų33.94%0.04119%0.189CC..Hα-helixtrans-135.92.2-169.300000116.8A292 L293 D298 A299 I300A292-G296 WeakPolarHBondContact O-CA 3.03Å; A292-G296 PolarHBondContact O-N 3.4Å; L293-G296 PolarHBondContact O-N 2.79Å; G296-D298 VanDerWaalsContact C-N 3.34Å; G296-D298 PolarHBondContact O-N 2.92Å; G296-A299 WeakPolarHBondContact O-CA 3.36Å; G296-A299 WeakPolarHBondContact O-CB 3.45Å; G296-A299 PolarHBondContact O-N 3Å; G296-I300 WeakPolarHBondContact O-CG1 3.35Å; G296-I300 PolarHBondContact O-N 3.26Å
297A90.9Very high91.5Very high9 Ų935.4 Ų35.47%0.07420%0.196CC..Hα-helixtrans-50-47.5-173.700000114.3L293 A299 I300 A301 M344L293-A297 HydrophobicContact CD2-CB 4.34Å; L293-A297 VanDerWaalsContact O-CB 3.23Å; L293-A297 WeakPolarHBondContact O-CB 3.47Å; L293-A297 PolarHBondContact O-N 3.11Å; L293-A297 VanDerWaalsContact O-N 3.12Å; A297-A299 VanDerWaalsContact C-N 3.26Å; A297-A299 PolarHBondContact O-N 3.39Å; A297-I300 WeakPolarHBondContact O-CB 3.41Å; A297-I300 PolarHBondContact O-N 3.27Å; A297-A301 PolarHBondContact O-N 3.4Å; A297-A301 VanDerWaalsContact O-N 3.15Å; A297-M344 HydrophobicContact CB-CE 3.94Å
298D86.1Confident91.3Very high88 Ų8840.8 Ų40.847%0.47121%0.214SC..Hα-helixtrans-68.5-27.2-178.4-55.8-16.9000112G296 N302 R490G296-D298 VanDerWaalsContact C-N 3.34Å; G296-D298 PolarHBondContact O-N 2.92Å; D298-N302 PolarHBondContact O-ND2 2.83Å; D298-R490 VanDerWaalsContact CG-NH1 3.29Å; D298-R490 IonicContact OD1-CZ 2.74Å; D298-R490 IonicContact OD1-NH1 3.19Å; D298-R490 PolarHBondContact OD1-NH1 3.34Å; D298-R490 IonicContact OD2-NH1 2.77Å; D298-R490 PolarHBondContact OD2-NH1 3.36Å; D298-R490 VanDerWaalsContact OD2-NH1 3.09Å
299A88.9Confident91.1Very high6 Ų642.1 Ų42.15%0.0522%0.221CC..Hα-helixtrans-81.8-31.3175.500000112.6L211 P212 G296 A297 A301 N302L211-A299 HydrophobicContact CB-CB 4.13Å; L211-A299 HydrophobicContact CD2-CB 3.86Å; L211-A299 HydrophobicContact CG-CB 3.86Å; P212-A299 HydrophobicContact CG-CB 3.96Å; G296-A299 WeakPolarHBondContact O-CA 3.36Å; G296-A299 WeakPolarHBondContact O-CB 3.45Å; G296-A299 PolarHBondContact O-N 3Å; A297-A299 VanDerWaalsContact C-N 3.26Å; A297-A299 PolarHBondContact O-N 3.39Å; A299-A301 VanDerWaalsContact C-N 3.32Å; A299-N302 PolarHBondContact O-N 3.38Å
300I91.3Very high91Very high1 Ų142.1 Ų42.11%0.00522%0.221CC..Hα-helixtrans-59.3-45170.4-69.8168.4000110.1F208 L211 L293 G296 A297 N302 S303 L306 V310 M344F208-I300 HydrophobicContact CD1-CD1 3.89Å; F208-I300 HydrophobicContact CD1-CG1 4.06Å; F208-I300 HydrophobicContact CE1-CD1 3.6Å; F208-I300 HydrophobicContact CE1-CG1 3.79Å; L211-I300 HydrophobicContact CD2-CG1 3.85Å; L293-I300 HydrophobicContact CD2-CD1 4.11Å; G296-I300 WeakPolarHBondContact O-CG1 3.35Å; G296-I300 PolarHBondContact O-N 3.26Å; A297-I300 WeakPolarHBondContact O-CB 3.41Å; A297-I300 PolarHBondContact O-N 3.27Å; I300-N302 PolarHBondContact O-N 3.39Å; I300-N302 VanDerWaalsContact O-N 3.14Å; I300-S303 PolarHBondContact O-N 2.81Å; I300-L306 HydrophobicContact CG1-CD1 4.45Å; I300-L306 HydrophobicContact CG2-CB 4.1Å; I300-V310 HydrophobicContact CG2-CG2 3.77Å; I300-M344 HydrophobicContact CB-CE 4.34Å; I300-M344 HydrophobicContact CB-SD 4.36Å; I300-M344 HydrophobicContact CG2-CE 4.11Å; I300-M344 HydrophobicContact CG2-SD 3.81Å
301A84.5Confident90.7Very high18 Ų1843.8 Ų43.815%0.14923%0.226CC..THydrogen-bonded Turntrans-58.7-25.9178.900000114A297 A299 M344A297-A301 PolarHBondContact O-N 3.4Å; A297-A301 VanDerWaalsContact O-N 3.15Å; A299-A301 VanDerWaalsContact C-N 3.32Å; A301-M344 HydrophobicContact CB-CG 3.79Å; A301-M344 HydrophobicContact CB-SD 4.23Å
302N84.6Confident90.4Very high92 Ų9242.1 Ų42.149%0.49222%0.219SC..THydrogen-bonded Turntrans-90.2-3.9-179.7-76.6-79.4000113.9V215 F217 D298 A299 I300V215-N302 HydrophobicContact CG1-CB 4.23Å; F217-N302 HydrophobicContact CZ-CB 4.39Å; D298-N302 PolarHBondContact O-ND2 2.83Å; A299-N302 PolarHBondContact O-N 3.38Å; I300-N302 PolarHBondContact O-N 3.39Å; I300-N302 VanDerWaalsContact O-N 3.14Å
303S87.6Confident90.2Very high8 Ų845.1 Ų45.16%0.05624%0.235CC..  trans-109.3112177.41740000111I258 I300 R305 L306 L307I258-S303 WeakPolarHBondContact CD1-OG 3.47Å; I300-S303 PolarHBondContact O-N 2.81Å; S303-R305 VanDerWaalsContact C-N 3.27Å; S303-R305 PolarHBondContact O-N 3.03Å; S303-L306 PolarHBondContact O-N 3.09Å; S303-L307 VanDerWaalsContact O-CB 3.29Å; S303-L307 WeakPolarHBondContact O-CB 3.33Å; S303-L307 PolarHBondContact O-N 2.85Å
304P87.1Confident90.2Very high107 Ų10744.7 Ų44.770%0.69523%0.233SC*.Hα-helixtrans-56.9-35.2-176.7-28.535.8000114.6H308P304-H308 WeakPolarHBondContact O-CB 3.5Å; P304-H308 PolarHBondContact O-N 3.28Å
305R88.2Confident90.2Very high140 Ų14040.4 Ų40.453%0.52821%0.212SC..Hα-helixtrans-75.7-40.4-179.7-69.1179.870-158.3-6.4112.5E259 S303 H308 L309E259-R305 IonicContact OE1-CZ 3.2Å; E259-R305 IonicContact OE1-NH1 3.45Å; E259-R305 PolarHBondContact OE1-NH1 3.4Å; E259-R305 IonicContact OE1-NH2 3.92Å; E259-R305 PolarHBondContact OE1-NH2 3.16Å; E259-R305 IonicContact OE2-CZ 3.48Å; E259-R305 IonicContact OE2-NH1 3.42Å; E259-R305 PolarHBondContact OE2-NH1 3.07Å; E259-R305 IonicContact OE2-NH2 3.76Å; E259-R305 PolarHBondContact OE2-NH2 3.08Å; S303-R305 VanDerWaalsContact C-N 3.27Å; S303-R305 PolarHBondContact O-N 3.03Å; R305-H308 PolarHBondContact O-N 3.22Å; R305-L309 PolarHBondContact O-N 3.27Å
306L92.3Very high90.1Very high0 Ų040 Ų400%021%0.206CC..Hα-helixtrans-66.8-42.1172.5-62.9175.3000110.8L211 I258 V261 C262 L265 I300 S303 H308 L309 V310L211-L306 HydrophobicContact CD1-CD1 3.8Å; L211-L306 HydrophobicContact CD2-CD1 3.65Å; L211-L306 HydrophobicContact CG-CD1 4.35Å; I258-L306 HydrophobicContact CD1-CD1 4.36Å; I258-L306 HydrophobicContact CG1-CD1 4.47Å; V261-L306 HydrophobicContact CG1-CD1 4.5Å; C262-L306 HydrophobicContact CB-CD2 4.08Å; C262-L306 WeakPolarHBondContact SG-CD2 3.29Å; L265-L306 HydrophobicContact CB-CD2 4.35Å; L265-L306 HydrophobicContact CD2-CB 4.42Å; L265-L306 HydrophobicContact CD2-CD2 3.82Å; I300-L306 HydrophobicContact CG1-CD1 4.45Å; I300-L306 HydrophobicContact CG2-CB 4.1Å; S303-L306 PolarHBondContact O-N 3.09Å; L306-H308 VanDerWaalsContact C-N 3.29Å; L306-H308 PolarHBondContact O-N 2.76Å; L306-L309 PolarHBondContact O-N 2.67Å; L306-V310 WeakPolarHBondContact O-CG2 3.26Å; L306-V310 PolarHBondContact O-N 3.17Å
307L90.8Very high90.3Very high31 Ų3140.6 Ų40.616%0.16221%0.208CC..Hα-helixtrans-61.9-35.3175.9-177.360.6000112.1S303 V310 R311 Q347S303-L307 VanDerWaalsContact O-CB 3.29Å; S303-L307 WeakPolarHBondContact O-CB 3.33Å; S303-L307 PolarHBondContact O-N 2.85Å; L307-V310 PolarHBondContact O-N 2.88Å; L307-R311 WeakPolarHBondContact O-CB 3.39Å; L307-R311 PolarHBondContact O-N 3.16Å; L307-Q347 HydrophobicContact CD1-CB 3.79Å; L307-Q347 HydrophobicContact CD1-CG 4.17Å; L307-Q347 HydrophobicContact CD2-CB 4.13Å; L307-Q347 HydrophobicContact CD2-CG 3.93Å
308H90.4Very high90.5Very high142 Ų14240.2 Ų40.266%0.65720%0.204SC*.Hα-helixtrans-63.6-47.2174.4-169.196.1000112.1P304 R305 L306 V310 R311 G312P304-H308 WeakPolarHBondContact O-CB 3.5Å; P304-H308 PolarHBondContact O-N 3.28Å; R305-H308 PolarHBondContact O-N 3.22Å; L306-H308 VanDerWaalsContact C-N 3.29Å; L306-H308 PolarHBondContact O-N 2.76Å; H308-V310 VanDerWaalsContact C-N 3.29Å; H308-V310 PolarHBondContact O-N 3.44Å; H308-R311 PolarHBondContact O-N 2.82Å; H308-G312 PolarHBondContact O-N 2.89Å
309L92.7Very high90.8Very high30 Ų3036.6 Ų36.616%0.15718%0.184CC..Hα-helixtrans-59-40.6175.1-67.1171.2000112C262 I269 R305 L306 D313 L314C262-L309 HydrophobicContact CB-CD1 4.48Å; C262-L309 WeakPolarHBondContact O-CD1 3.45Å; I269-L309 HydrophobicContact CD1-CB 3.9Å; R305-L309 PolarHBondContact O-N 3.27Å; L306-L309 PolarHBondContact O-N 2.67Å; L309-D313 PolarHBondContact O-N 2.91Å; L309-D313 VanDerWaalsContact O-N 3.17Å; L309-L314 PolarHBondContact O-N 3.22Å; L309-L314 VanDerWaalsContact O-N 3.09Å
310V94.2Very high90.8Very high0 Ų037.9 Ų37.90%019%0.19CC..Iπ-helixtrans-65.8-52.3177.3165.50000111.8L265 I300 L306 L307 H308 G312 L314 T315 L340 M344 L348L265-V310 HydrophobicContact CD2-CG2 4.31Å; I300-V310 HydrophobicContact CG2-CG2 3.77Å; L306-V310 WeakPolarHBondContact O-CG2 3.26Å; L306-V310 PolarHBondContact O-N 3.17Å; L307-V310 PolarHBondContact O-N 2.88Å; H308-V310 VanDerWaalsContact C-N 3.29Å; H308-V310 PolarHBondContact O-N 3.44Å; V310-G312 VanDerWaalsContact C-N 3.3Å; V310-G312 PolarHBondContact O-N 3.06Å; V310-L314 HydrophobicContact CG1-CD2 4.42Å; V310-L314 HydrophobicContact CG2-CD2 4.03Å; V310-T315 PolarHBondContact O-N 3.28Å; V310-T315 PolarHBondContact O-OG1 3.07Å; V310-L340 HydrophobicContact CG1-CD1 3.7Å; V310-L340 HydrophobicContact CG1-CD2 4.49Å; V310-M344 HydrophobicContact CG1-SD 4.19Å; V310-L348 HydrophobicContact CG1-CD1 3.94Å; V310-L348 HydrophobicContact CG1-CD2 4.3Å
311R90.9Very high90.8Very high49 Ų4938 Ų3819%0.18519%0.191CC..Iπ-helixtrans-67.4-30.4-176.2-175.5-178-112.4-145.6-8.7112.7L307 H308 T315 Q347 L348 Q351 L715 S718L307-R311 WeakPolarHBondContact O-CB 3.39Å; L307-R311 PolarHBondContact O-N 3.16Å; H308-R311 PolarHBondContact O-N 2.82Å; R311-T315 PolarHBondContact O-OG1 3.07Å; R311-T315 VanDerWaalsContact O-OG1 3.05Å; R311-Q347 PolarHBondContact NE-O 3.17Å; R311-Q347 VanDerWaalsContact NE-O 3.11Å; R311-Q347 PolarHBondContact NH2-O 2.85Å; R311-L348 HydrophobicContact CB-CD2 3.89Å; R311-L348 HydrophobicContact CG-CD2 4.06Å; R311-Q351 PolarHBondContact O-NE2 3.49Å; R311-L715 HydrophobicContact CG-CD2 4.49Å; R311-L715 WeakPolarHBondContact O-CD2 3.31Å; R311-S718 VanDerWaalsContact NH1-C 3.27Å; R311-S718 PolarHBondContact NH1-O 3Å; R311-S718 PolarHBondContact NH1-OG 3.35Å; R311-S718 PolarHBondContact NH2-O 3.43Å
312G90.2Very high91.1Very high8 Ų837.2 Ų37.28%0.08218%0.184CC..Iπ-helixtrans-85.9-95.5175.100000112.5H308 V310 T315 K316 W711H308-G312 PolarHBondContact O-N 2.89Å; V310-G312 VanDerWaalsContact C-N 3.3Å; V310-G312 PolarHBondContact O-N 3.06Å; G312-T315 PolarHBondContact O-OG1 3.15Å; G312-K316 WeakPolarHBondContact O-CB 3.1Å; G312-K316 PolarHBondContact O-N 3.17Å; G312-W711 PolarHBondContact O-NE1 3.06Å; G312-W711 VanDerWaalsContact O-NE1 3.12Å
313D90.3Very high91.2Very high63 Ų6338.2 Ų38.234%0.33718%0.182SC..Iπ-helixtrans-79.8-34.5-163.2-70.4-37.4000114.6I269 L309 K316 Y317I269-D313 HydrophobicContact CG2-CB 3.63Å; L309-D313 PolarHBondContact O-N 2.91Å; L309-D313 VanDerWaalsContact O-N 3.17Å; D313-K316 WeakPolarHBondContact O-CB 3.13Å; D313-K316 PolarHBondContact O-N 3.23Å; D313-Y317 HydrophobicContact CB-CD2 4.27Å; D313-Y317 HydrophobicContact CB-CE2 3.92Å; D313-Y317 WeakPolarHBondContact O-CD2 3.38Å; D313-Y317 PolarHBondContact O-N 2.97Å
314L94.8Very high91.2Very high1 Ų138.6 Ų38.61%0.00519%0.185CC..Iπ-helixtrans-59.6-56176.7177.357.9000110.4I269 L272 I289 L309 V310 K316 Y317 L318 L340I269-L314 HydrophobicContact CD1-CB 3.8Å; I269-L314 HydrophobicContact CG1-CB 3.9Å; I269-L314 HydrophobicContact CG1-CD1 4.1Å; I269-L314 HydrophobicContact CG1-CG 4.45Å; I269-L314 HydrophobicContact CG2-CB 4.45Å; L272-L314 HydrophobicContact CD1-CD1 3.73Å; I289-L314 HydrophobicContact CD1-CD1 4.18Å; I289-L314 HydrophobicContact CG2-CD1 4.2Å; L309-L314 PolarHBondContact O-N 3.22Å; L309-L314 VanDerWaalsContact O-N 3.09Å; V310-L314 HydrophobicContact CG1-CD2 4.42Å; V310-L314 HydrophobicContact CG2-CD2 4.03Å; L314-K316 VanDerWaalsContact C-N 3.26Å; L314-K316 PolarHBondContact O-N 3.12Å; L314-Y317 PolarHBondContact O-N 3.25Å; L314-L318 HydrophobicContact CD1-CD1 3.81Å; L314-L318 HydrophobicContact CD1-CG 4.02Å; L314-L318 HydrophobicContact CG-CD1 3.81Å; L314-L318 HydrophobicContact CG-CG 4.42Å; L314-L318 WeakPolarHBondContact O-CB 3.45Å; L314-L318 VanDerWaalsContact O-CG 3.25Å; L314-L318 WeakPolarHBondContact O-CG 3.4Å; L314-L318 PolarHBondContact O-N 2.76Å; L314-L340 HydrophobicContact CD2-CD1 4.09Å; L314-L340 HydrophobicContact CD2-CD2 4.39Å
315T94.6Very high91.1Very high0 Ų040.4 Ų40.40%018%0.184CC..Hα-helixtrans-61.4-33.6178.243.60000112.6V310 R311 G312 M319 L340 L348 Q351 W711V310-T315 PolarHBondContact O-N 3.28Å; V310-T315 PolarHBondContact O-OG1 3.07Å; R311-T315 PolarHBondContact O-OG1 3.07Å; R311-T315 VanDerWaalsContact O-OG1 3.05Å; G312-T315 PolarHBondContact O-OG1 3.15Å; T315-M319 VanDerWaalsContact O-CG 3.31Å; T315-M319 WeakPolarHBondContact O-CG 3.36Å; T315-M319 PolarHBondContact O-N 2.82Å; T315-L340 HydrophobicContact CG2-CD2 3.48Å; T315-L340 VanDerWaalsContact CG2-CD2 3.48Å; T315-L348 HydrophobicContact CG2-CD1 4.4Å; T315-Q351 HydrophobicContact CG2-CB 4.11Å; T315-Q351 HydrophobicContact CG2-CG 4.07Å; T315-W711 WeakPolarHBondContact OG1-CZ2 3.28Å
316K92.2Very high91.1Very high43 Ų4336.1 Ų36.119%0.18717%0.172CC..Hα-helixtrans-59.6-55.8173.3-170.8-165.9178.4-171.10112G312 D313 L314 L318 M319 L320 N708 W711G312-K316 WeakPolarHBondContact O-CB 3.1Å; G312-K316 PolarHBondContact O-N 3.17Å; D313-K316 WeakPolarHBondContact O-CB 3.13Å; D313-K316 PolarHBondContact O-N 3.23Å; L314-K316 VanDerWaalsContact C-N 3.26Å; L314-K316 PolarHBondContact O-N 3.12Å; K316-L318 VanDerWaalsContact C-N 3.33Å; K316-L318 PolarHBondContact O-N 3.47Å; K316-M319 PolarHBondContact O-N 2.74Å; K316-L320 HydrophobicContact CG-CD1 4.41Å; K316-L320 PolarHBondContact O-N 2.93Å; K316-L320 VanDerWaalsContact O-N 3.08Å; K316-N708 WeakPolarHBondContact CE-OD1 3.48Å; K316-N708 PolarHBondContact NZ-OD1 2.96Å; K316-W711 HydrophobicContact CB-CD2 4.25Å; K316-W711 HydrophobicContact CB-CG 4.45Å; K316-W711 HydrophobicContact CB-CZ2 4.11Å; K316-W711 HydrophobicContact CG-CD2 4.24Å; K316-W711 HydrophobicContact CG-CG 4.13Å; K316-W711 VanDerWaalsContact N-CZ2 3.33Å
317Y93.2Very high91.1Very high17 Ų1738 Ų387%0.06718%0.183CC..Hα-helixtrans-66.4-36.3-177.8-64.1-52.3000111.4I269 L272 D313 L314 M319 L320 L321I269-Y317 HydrophobicContact CG2-CD2 3.82Å; I269-Y317 HydrophobicContact CG2-CE2 3.95Å; I269-Y317 VanDerWaalsContact O-CD2 3.27Å; I269-Y317 WeakPolarHBondContact O-CD2 3.21Å; I269-Y317 WeakPolarHBondContact O-CE2 3.42Å; L272-Y317 HydrophobicContact CB-CD2 4.34Å; L272-Y317 HydrophobicContact CB-CG 4.27Å; D313-Y317 HydrophobicContact CB-CD2 4.27Å; D313-Y317 HydrophobicContact CB-CE2 3.92Å; D313-Y317 WeakPolarHBondContact O-CD2 3.38Å; D313-Y317 PolarHBondContact O-N 2.97Å; L314-Y317 PolarHBondContact O-N 3.25Å; Y317-M319 PolarHBondContact O-N 3.44Å; Y317-L320 HydrophobicContact CD1-CD1 4.35Å; Y317-L320 PolarHBondContact O-N 3.17Å; Y317-L321 WeakPolarHBondContact O-CB 3.21Å; Y317-L321 VanDerWaalsContact O-CG 3.25Å; Y317-L321 WeakPolarHBondContact O-CG 3.47Å; Y317-L321 PolarHBondContact O-N 3.27Å
318L95.2Very high91.1Very high0 Ų046.5 Ų46.50%021%0.213CC..Hα-helixtrans-60.5-44172.1-69171.7000112.2L272 L286 L314 K316 L320 L321 L322 T333 V336 L340L272-L318 HydrophobicContact CD1-CD2 4.5Å; L286-L318 HydrophobicContact CD2-CD2 3.88Å; L314-L318 HydrophobicContact CD1-CD1 3.81Å; L314-L318 HydrophobicContact CD1-CG 4.02Å; L314-L318 HydrophobicContact CG-CD1 3.81Å; L314-L318 HydrophobicContact CG-CG 4.42Å; L314-L318 WeakPolarHBondContact O-CB 3.45Å; L314-L318 VanDerWaalsContact O-CG 3.25Å; L314-L318 WeakPolarHBondContact O-CG 3.4Å; L314-L318 PolarHBondContact O-N 2.76Å; K316-L318 VanDerWaalsContact C-N 3.33Å; K316-L318 PolarHBondContact O-N 3.47Å; L318-L320 VanDerWaalsContact C-N 3.31Å; L318-L320 PolarHBondContact O-N 2.86Å; L318-L321 PolarHBondContact O-N 3.16Å; L318-L322 WeakPolarHBondContact O-CG 3.46Å; L318-L322 PolarHBondContact O-N 3.14Å; L318-L322 VanDerWaalsContact O-N 3.13Å; L318-T333 HydrophobicContact CB-CG2 4.38Å; L318-T333 HydrophobicContact CD2-CG2 3.88Å; L318-T333 WeakPolarHBondContact O-CG2 3.49Å; L318-V336 HydrophobicContact CD1-CG1 3.72Å; L318-V336 HydrophobicContact CD2-CB 3.98Å; L318-V336 HydrophobicContact CD2-CG1 3.77Å; L318-V336 HydrophobicContact CG-CG1 4.39Å; L318-L340 HydrophobicContact CD1-CD2 4.09Å
319M92Very high91.2Very high12 Ų1240.4 Ų40.46%0.05919%0.185CC..Hα-helixtrans-64.6-34.6176.8-67.8-46.3103.600112.5T315 K316 Y317 L322 F341 V354 Y355 W711T315-M319 VanDerWaalsContact O-CG 3.31Å; T315-M319 WeakPolarHBondContact O-CG 3.36Å; T315-M319 PolarHBondContact O-N 2.82Å; K316-M319 PolarHBondContact O-N 2.74Å; Y317-M319 PolarHBondContact O-N 3.44Å; M319-L322 HydrophobicContact CE-CD1 4.11Å; M319-L322 PolarHBondContact O-N 3.21Å; M319-L322 HydrophobicContact SD-CD1 4.01Å; M319-F341 HydrophobicContact CE-CE2 4.3Å; M319-F341 HydrophobicContact CE-CZ 4.4Å; M319-V354 HydrophobicContact CG-CG1 4.14Å; M319-V354 HydrophobicContact SD-CG1 4.26Å; M319-Y355 HydrophobicContact CE-CD2 3.97Å; M319-Y355 HydrophobicContact CE-CG 4.33Å; M319-Y355 HydrophobicContact SD-CD2 4.36Å; M319-W711 HydrophobicContact CB-CZ3 4.42Å; M319-W711 HydrophobicContact CG-CH2 3.92Å; M319-W711 HydrophobicContact CG-CZ3 3.83Å
320L89.2Confident91.3Very high33 Ų3339 Ų3917%0.17318%0.177CC..Hα-helixtrans-69.5-39173.2-69.5168.4000112.1P274 K316 Y317 L318 L322 Y323 L704P274-L320 HydrophobicContact CG-CB 4.41Å; K316-L320 HydrophobicContact CG-CD1 4.41Å; K316-L320 PolarHBondContact O-N 2.93Å; K316-L320 VanDerWaalsContact O-N 3.08Å; Y317-L320 HydrophobicContact CD1-CD1 4.35Å; Y317-L320 PolarHBondContact O-N 3.17Å; L318-L320 VanDerWaalsContact C-N 3.31Å; L318-L320 PolarHBondContact O-N 2.86Å; L320-L322 PolarHBondContact O-N 2.89Å; L320-Y323 WeakPolarHBondContact O-CB 3.25Å; L320-Y323 WeakPolarHBondContact O-CD2 3.3Å; L320-Y323 PolarHBondContact O-N 3.12Å; L320-L704 HydrophobicContact CD2-CD2 4.19Å
321L92Very high91.3Very high4 Ų440.5 Ų40.52%0.02119%0.19CC..Hα-helixtrans-68.5-18.8176.9-69.4169.8000112.9L272 P274 I282 L286 Y317 L318 Y323 S324 T333L272-L321 HydrophobicContact CB-CD1 4.21Å; L272-L321 HydrophobicContact CD2-CD1 4.34Å; P274-L321 HydrophobicContact CB-CD2 4.33Å; I282-L321 HydrophobicContact CD1-CD2 4.46Å; I282-L321 HydrophobicContact CG2-CD1 3.83Å; I282-L321 HydrophobicContact CG2-CD2 3.83Å; L286-L321 HydrophobicContact CD1-CD1 4.46Å; L286-L321 HydrophobicContact CD2-CD1 4.24Å; Y317-L321 WeakPolarHBondContact O-CB 3.21Å; Y317-L321 VanDerWaalsContact O-CG 3.25Å; Y317-L321 WeakPolarHBondContact O-CG 3.47Å; Y317-L321 PolarHBondContact O-N 3.27Å; L318-L321 PolarHBondContact O-N 3.16Å; L321-Y323 PolarHBondContact O-N 3.22Å; L321-Y323 VanDerWaalsContact O-N 3.15Å; L321-S324 WeakPolarHBondContact O-CB 3.48Å; L321-S324 PolarHBondContact O-N 3.06Å; L321-T333 HydrophobicContact CB-CG2 3.79Å
322L91.2Very high91.5Very high2 Ų239.6 Ų39.61%0.0119%0.193CC..THydrogen-bonded Turntrans-71.77.2166.6-63.7174.1000114L318 M319 L320 F330 T333 L334 Y355 R358 I362L318-L322 WeakPolarHBondContact O-CG 3.46Å; L318-L322 PolarHBondContact O-N 3.14Å; L318-L322 VanDerWaalsContact O-N 3.13Å; M319-L322 HydrophobicContact CE-CD1 4.11Å; M319-L322 PolarHBondContact O-N 3.21Å; M319-L322 HydrophobicContact SD-CD1 4.01Å; L320-L322 PolarHBondContact O-N 2.89Å; L322-F330 HydrophobicContact CD2-CD2 4.07Å; L322-F330 HydrophobicContact CD2-CE2 3.75Å; L322-T333 HydrophobicContact CD2-CG2 3.81Å; L322-T333 HydrophobicContact CG-CG2 3.98Å; L322-L334 HydrophobicContact CD2-CD2 3.63Å; L322-L334 HydrophobicContact CD2-CG 3.95Å; L322-Y355 HydrophobicContact CD1-CD2 3.73Å; L322-Y355 HydrophobicContact CD1-CE2 3.99Å; L322-R358 HydrophobicContact CB-CG 3.99Å; L322-R358 HydrophobicContact CD1-CG 4.01Å; L322-R358 PolarHBondContact O-NE 2.99Å; L322-R358 PolarHBondContact O-NH2 3.18Å; L322-I362 HydrophobicContact CB-CD1 4.37Å; L322-I362 WeakPolarHBondContact O-CD1 3.3Å
323Y86.8Confident91.9Very high113 Ų11339.2 Ų39.244%0.44319%0.189SC..THydrogen-bonded Turntrans-98.5-9.8162.1-68.7-104.1000113L320 L321 R358 E707L320-Y323 WeakPolarHBondContact O-CB 3.25Å; L320-Y323 WeakPolarHBondContact O-CD2 3.3Å; L320-Y323 PolarHBondContact O-N 3.12Å; L321-Y323 PolarHBondContact O-N 3.22Å; L321-Y323 VanDerWaalsContact O-N 3.15Å; Y323-R358 VanDerWaalsContact CG-NH2 3.32Å; Y323-R358 VanDerWaalsContact CZ-NH1 3.25Å; Y323-E707 PolarHBondContact OH-OE1 3.44Å
324S86.6Confident92.2Very high16 Ų1636.3 Ų36.311%0.11217%0.173CC..  trans-53.9135.2-177.4-177.70000112.8L321 D326 Q329 R374L321-S324 WeakPolarHBondContact O-CB 3.48Å; L321-S324 PolarHBondContact O-N 3.06Å; S324-D326 PolarHBondContact OG-N 3.39Å; S324-D326 PolarHBondContact OG-O 3.05Å; S324-Q329 PolarHBondContact OG-NE2 2.99Å; S324-R374 PolarHBondContact O-NH1 3.22Å
325E84.6Confident92.3Very high144 Ų14442.8 Ų42.867%0.67320%0.198SC*.SBendtrans-84.1-26.9175.3-55.4-157.5131.800112.9V327 R374E325-V327 PolarHBondContact O-N 3.37Å; E325-R374 IonicContact OE1-NH2 2.89Å
326D89Confident92.4Very high51 Ų5142.8 Ų42.827%0.27320%0.198SC..  trans-65.3125.4168.517441.3000111.1E279 S324 W328 Q329 F330E279-D326 WeakPolarHBondContact OE1-CB 2.99Å; S324-D326 PolarHBondContact OG-N 3.39Å; S324-D326 PolarHBondContact OG-O 3.05Å; D326-W328 VanDerWaalsContact C-N 3.34Å; D326-W328 PolarHBondContact OD1-N 3.44Å; D326-W328 VanDerWaalsContact OD1-N 3.13Å; D326-W328 WeakPolarHBondContact OD2-CB 3.48Å; D326-W328 PolarHBondContact OD2-N 3.48Å; D326-Q329 HydrophobicContact CB-CB 4.24Å; D326-Q329 VanDerWaalsContact OD2-CB 3.27Å; D326-Q329 WeakPolarHBondContact OD2-CB 3.32Å; D326-Q329 PolarHBondContact OD2-N 3.18Å; D326-F330 WeakPolarHBondContact O-CB 3.15Å; D326-F330 PolarHBondContact O-N 3.24Å
327V91.6Very high92.6Very high40 Ų4040.8 Ų40.824%0.24219%0.189CC..Hα-helixtrans-68.1-32.7-179-176.60000111.2E325 A331 E373 R374 I377E325-V327 PolarHBondContact O-N 3.37Å; V327-A331 VanDerWaalsContact O-CB 3.29Å; V327-A331 WeakPolarHBondContact O-CB 3.4Å; V327-A331 PolarHBondContact O-N 3.02Å; V327-E373 HydrophobicContact CG1-CB 4.11Å; V327-E373 HydrophobicContact CG2-CB 4.25Å; V327-R374 HydrophobicContact CG2-CG 4.4Å; V327-I377 HydrophobicContact CG1-CD1 3.41Å; V327-I377 VanDerWaalsContact CG1-CD1 3.41Å
328W91.5Very high92.8Very high209 Ų20942.5 Ų42.579%0.79220%0.197SC*.Hα-helixtrans-76.5-45.1-177.7-59.1100.7000112.1D326 F330 A331 A332D326-W328 VanDerWaalsContact C-N 3.34Å; D326-W328 PolarHBondContact OD1-N 3.44Å; D326-W328 VanDerWaalsContact OD1-N 3.13Å; D326-W328 WeakPolarHBondContact OD2-CB 3.48Å; D326-W328 PolarHBondContact OD2-N 3.48Å; W328-F330 VanDerWaalsContact C-N 3.32Å; W328-A331 PolarHBondContact O-N 3.17Å; W328-A332 WeakPolarHBondContact O-CB 3.31Å; W328-A332 PolarHBondContact O-N 2.86Å
329Q92.4Very high92.8Very high13 Ų1344 Ų446%0.06121%0.205CC..Hα-helixtrans-63-38.3171.7-175.6169.8-105.300111.2I282 L286 S324 D326 T333I282-Q329 HydrophobicContact CG2-CG 4.47Å; L286-Q329 HydrophobicContact CD1-CG 4.05Å; S324-Q329 PolarHBondContact OG-NE2 2.99Å; D326-Q329 HydrophobicContact CB-CB 4.24Å; D326-Q329 VanDerWaalsContact OD2-CB 3.27Å; D326-Q329 WeakPolarHBondContact OD2-CB 3.32Å; D326-Q329 PolarHBondContact OD2-N 3.18Å; Q329-T333 VanDerWaalsContact O-CB 3.3Å; Q329-T333 WeakPolarHBondContact O-CB 3.15Å; Q329-T333 PolarHBondContact O-N 2.83Å; Q329-T333 PolarHBondContact O-OG1 3.39Å
330F94Very high92.9Very high1 Ų143.4 Ų43.40%0.00420%0.202CC..Hα-helixtrans-61.8-49.7172.4-179.4-107.8000112L322 D326 W328 A332 T333 L334 I362 R374 A378L322-F330 HydrophobicContact CD2-CD2 4.07Å; L322-F330 HydrophobicContact CD2-CE2 3.75Å; D326-F330 WeakPolarHBondContact O-CB 3.15Å; D326-F330 PolarHBondContact O-N 3.24Å; W328-F330 VanDerWaalsContact C-N 3.32Å; F330-A332 PolarHBondContact O-N 3.03Å; F330-T333 WeakPolarHBondContact O-CB 3.21Å; F330-T333 PolarHBondContact O-N 3.41Å; F330-L334 HydrophobicContact CD1-CD1 3.85Å; F330-L334 HydrophobicContact CE1-CD1 3.39Å; F330-L334 HydrophobicContact CE1-CG 4.44Å; F330-L334 HydrophobicContact CE2-CD1 4.26Å; F330-L334 HydrophobicContact CG-CD1 4.45Å; F330-L334 HydrophobicContact CZ-CD1 3.63Å; F330-L334 HydrophobicContact CZ-CG 4.37Å; F330-L334 WeakPolarHBondContact O-CG 3.26Å; F330-L334 PolarHBondContact O-N 3.19Å; F330-I362 HydrophobicContact CE2-CD1 3.98Å; F330-I362 HydrophobicContact CZ-CD1 4.28Å; F330-I362 HydrophobicContact CZ-CG2 4.25Å; F330-R374 HydrophobicContact CD1-CB 4.25Å; F330-R374 HydrophobicContact CD1-CG 4.12Å; F330-R374 HydrophobicContact CE1-CB 4Å; F330-R374 HydrophobicContact CE1-CG 4.38Å; F330-R374 VanDerWaalsContact CE1-O 3.3Å; F330-R374 WeakPolarHBondContact CE1-O 3.47Å; F330-R374 HydrophobicContact CG-CG 4.5Å; F330-R374 HydrophobicContact CZ-CB 4.49Å; F330-A378 HydrophobicContact CE1-CB 4.45Å; F330-A378 HydrophobicContact CZ-CB 4.27Å
331A95.5Very high93.2Very high31 Ų3141.9 Ų41.926%0.25619%0.194SC..Hα-helixtrans-63.6-38.3177.300000113.1V327 W328 L334 R335 I377V327-A331 VanDerWaalsContact O-CB 3.29Å; V327-A331 WeakPolarHBondContact O-CB 3.4Å; V327-A331 PolarHBondContact O-N 3.02Å; W328-A331 PolarHBondContact O-N 3.17Å; A331-L334 PolarHBondContact O-N 3.45Å; A331-R335 PolarHBondContact O-N 3.1Å; A331-I377 HydrophobicContact CB-CG2 4.12Å
332A95.6Very high93.2Very high30 Ų3043.7 Ų43.725%0.24820%0.202CC..Hα-helixtrans-65.9-42.6174.300000111.8L286 W328 F330 L334 R335 V336L286-A332 HydrophobicContact CB-CB 4.37Å; L286-A332 HydrophobicContact CD1-CB 4Å; W328-A332 WeakPolarHBondContact O-CB 3.31Å; W328-A332 PolarHBondContact O-N 2.86Å; F330-A332 PolarHBondContact O-N 3.03Å; A332-L334 VanDerWaalsContact C-N 3.31Å; A332-L334 PolarHBondContact O-N 3.04Å; A332-R335 WeakPolarHBondContact O-CB 3.36Å; A332-R335 PolarHBondContact O-N 3.13Å; A332-V336 WeakPolarHBondContact O-CG2 3.3Å; A332-V336 PolarHBondContact O-N 3.19Å
333T97Very high93.2Very high0 Ų044 Ų440%020%0.204CC..Hα-helixtrans-59-43.7173.6-59.10000110.7L318 L321 L322 Q329 F330 V336 C337L318-T333 HydrophobicContact CB-CG2 4.38Å; L318-T333 HydrophobicContact CD2-CG2 3.88Å; L318-T333 WeakPolarHBondContact O-CG2 3.49Å; L321-T333 HydrophobicContact CB-CG2 3.79Å; L322-T333 HydrophobicContact CD2-CG2 3.81Å; L322-T333 HydrophobicContact CG-CG2 3.98Å; Q329-T333 VanDerWaalsContact O-CB 3.3Å; Q329-T333 WeakPolarHBondContact O-CB 3.15Å; Q329-T333 PolarHBondContact O-N 2.83Å; Q329-T333 PolarHBondContact O-OG1 3.39Å; F330-T333 WeakPolarHBondContact O-CB 3.21Å; F330-T333 PolarHBondContact O-N 3.41Å; T333-V336 PolarHBondContact O-N 3.34Å; T333-C337 PolarHBondContact O-N 3.13Å; T333-C337 PolarHBondContact O-SG 2.67Å
334L96.7Very high93.4Very high3 Ų338.6 Ų38.62%0.01618%0.183CC..Hα-helixtrans-64.5-36.8175.5-72.3172.1000113.2L322 F330 A331 A332 C337 F338 Y355 L359 I377L322-L334 HydrophobicContact CD2-CD2 3.63Å; L322-L334 HydrophobicContact CD2-CG 3.95Å; F330-L334 HydrophobicContact CD1-CD1 3.85Å; F330-L334 HydrophobicContact CE1-CD1 3.39Å; F330-L334 HydrophobicContact CE1-CG 4.44Å; F330-L334 HydrophobicContact CE2-CD1 4.26Å; F330-L334 HydrophobicContact CG-CD1 4.45Å; F330-L334 HydrophobicContact CZ-CD1 3.63Å; F330-L334 HydrophobicContact CZ-CG 4.37Å; F330-L334 WeakPolarHBondContact O-CG 3.26Å; F330-L334 PolarHBondContact O-N 3.19Å; A331-L334 PolarHBondContact O-N 3.45Å; A332-L334 VanDerWaalsContact C-N 3.31Å; A332-L334 PolarHBondContact O-N 3.04Å; L334-C337 PolarHBondContact O-N 2.88Å; L334-F338 WeakPolarHBondContact O-CB 3.45Å; L334-F338 PolarHBondContact O-N 2.79Å; L334-Y355 HydrophobicContact CD2-CE2 3.92Å; L334-L359 HydrophobicContact CD2-CD2 3.78Å; L334-I377 HydrophobicContact CD1-CG2 3.85Å
335R96.7Very high93.7Very high137 Ų13737.9 Ų37.952%0.51718%0.178SC..Hα-helixtrans-61.1-46.8172.1-172.1-169.6-176.7100.8-3.7111.4T290 E294 A331 A332 F338 L339T290-R335 HydrophobicContact CG2-CG 4.43Å; T290-R335 VanDerWaalsContact CG2-NE 3.34Å; E294-R335 IonicContact OE1-CZ 3.59Å; E294-R335 VanDerWaalsContact OE1-CZ 3.25Å; E294-R335 IonicContact OE1-NE 3.79Å; E294-R335 PolarHBondContact OE1-NE 3.23Å; E294-R335 IonicContact OE1-NH2 2.79Å; E294-R335 PolarHBondContact OE1-NH2 2.92Å; A331-R335 PolarHBondContact O-N 3.1Å; A332-R335 WeakPolarHBondContact O-CB 3.36Å; A332-R335 PolarHBondContact O-N 3.13Å; R335-F338 PolarHBondContact O-N 2.64Å; R335-L339 HydrophobicContact CG-CD1 4.16Å; R335-L339 WeakPolarHBondContact O-CG 3.49Å; R335-L339 PolarHBondContact O-N 3.17Å
336V96.9Very high94Very high0 Ų032.5 Ų32.50%016%0.156CC..Hα-helixtrans-62.8-46177.9178.30000110.4L286 I289 T290 L293 L318 A332 T333 F338 L339 L340L286-V336 HydrophobicContact CD2-CG2 4.06Å; I289-V336 HydrophobicContact CG2-CG1 3.88Å; T290-V336 VanDerWaalsContact OG1-CG2 3.3Å; T290-V336 WeakPolarHBondContact OG1-CG2 3.27Å; L293-V336 HydrophobicContact CD1-CG1 3.81Å; L318-V336 HydrophobicContact CD1-CG1 3.72Å; L318-V336 HydrophobicContact CD2-CB 3.98Å; L318-V336 HydrophobicContact CD2-CG1 3.77Å; L318-V336 HydrophobicContact CG-CG1 4.39Å; A332-V336 WeakPolarHBondContact O-CG2 3.3Å; A332-V336 PolarHBondContact O-N 3.19Å; T333-V336 PolarHBondContact O-N 3.34Å; V336-F338 PolarHBondContact O-N 2.84Å; V336-L339 PolarHBondContact O-N 3.14Å; V336-L340 WeakPolarHBondContact O-CB 3.37Å; V336-L340 PolarHBondContact O-N 3.06Å
337C97.2Very high94.1Very high0 Ų032.6 Ų32.60%016%0.155CC..Hα-helixtrans-58.7-43.9174.8-70.10000112.4T333 L334 L340 F341 Y355T333-C337 PolarHBondContact O-N 3.13Å; T333-C337 PolarHBondContact O-SG 2.67Å; L334-C337 PolarHBondContact O-N 2.88Å; C337-L340 PolarHBondContact O-N 2.75Å; C337-F341 HydrophobicContact CB-CD2 4.21Å; C337-F341 HydrophobicContact CB-CE2 4.19Å; C337-F341 WeakPolarHBondContact O-CD2 3.37Å; C337-F341 PolarHBondContact O-N 3.1Å; C337-Y355 HydrophobicContact CB-CD2 4.13Å; C337-Y355 HydrophobicContact CB-CE1 4.32Å; C337-Y355 HydrophobicContact CB-CE2 3.52Å
338F96.2Very high94.2Very high54 Ų5430.7 Ų30.724%0.23714%0.143CC..Hα-helixtrans-59.6-52.5177.5177.1-92.5000111.5L334 R335 V336 L340 F341 E342 R384 L385 V388L334-F338 WeakPolarHBondContact O-CB 3.45Å; L334-F338 PolarHBondContact O-N 2.79Å; R335-F338 PolarHBondContact O-N 2.64Å; V336-F338 PolarHBondContact O-N 2.84Å; F338-L340 VanDerWaalsContact C-N 3.27Å; F338-L340 PolarHBondContact O-N 2.77Å; F338-F341 PolarHBondContact O-N 3.38Å; F338-E342 HydrophobicContact CE1-CB 4.49Å; F338-E342 HydrophobicContact CZ-CG 4.34Å; F338-E342 WeakPolarHBondContact O-CB 3.36Å; F338-E342 PolarHBondContact O-N 2.98Å; F338-R384 HydrophobicContact CD2-CB 4.29Å; F338-R384 HydrophobicContact CE2-CB 3.93Å; F338-L385 HydrophobicContact CD2-CD2 3.94Å; F338-L385 HydrophobicContact CD2-CG 4.23Å; F338-L385 HydrophobicContact CE2-CD2 4.27Å; F338-V388 HydrophobicContact CE2-CG2 4.02Å; F338-V388 HydrophobicContact CZ-CG2 4.17Å
339L95.3Very high94.3Very high31 Ų3121 Ų2116%0.16211%0.107CC..Hα-helixtrans-59.9-38.9178-69.5164.8000112.2T290 L293 E294 R335 V336 S343T290-L339 HydrophobicContact CG2-CD1 3.87Å; L293-L339 HydrophobicContact CB-CB 4.13Å; L293-L339 HydrophobicContact CB-CD1 4.47Å; L293-L339 HydrophobicContact CD1-CB 4.07Å; E294-L339 HydrophobicContact CG-CD1 3.73Å; E294-L339 HydrophobicContact CG-CD2 3.92Å; E294-L339 HydrophobicContact CG-CG 4.49Å; R335-L339 HydrophobicContact CG-CD1 4.16Å; R335-L339 WeakPolarHBondContact O-CG 3.49Å; R335-L339 PolarHBondContact O-N 3.17Å; V336-L339 PolarHBondContact O-N 3.14Å; L339-S343 PolarHBondContact O-N 3.31Å; L339-S343 PolarHBondContact O-OG 3.49Å
340L95.3Very high94.4Very high0 Ų020.5 Ų20.50%010%0.104CC..Hα-helixtrans-69.3-47.6-178.8-17174.8000112.2L293 V310 L314 T315 L318 V336 C337 F338 S343 M344 L348L293-L340 HydrophobicContact CD1-CB 4.08Å; L293-L340 HydrophobicContact CD1-CD1 4.19Å; L293-L340 HydrophobicContact CD2-CD1 3.85Å; V310-L340 HydrophobicContact CG1-CD1 3.7Å; V310-L340 HydrophobicContact CG1-CD2 4.49Å; L314-L340 HydrophobicContact CD2-CD1 4.09Å; L314-L340 HydrophobicContact CD2-CD2 4.39Å; T315-L340 HydrophobicContact CG2-CD2 3.48Å; T315-L340 VanDerWaalsContact CG2-CD2 3.48Å; L318-L340 HydrophobicContact CD1-CD2 4.09Å; V336-L340 WeakPolarHBondContact O-CB 3.37Å; V336-L340 PolarHBondContact O-N 3.06Å; C337-L340 PolarHBondContact O-N 2.75Å; F338-L340 VanDerWaalsContact C-N 3.27Å; F338-L340 PolarHBondContact O-N 2.77Å; L340-S343 PolarHBondContact O-N 3.4Å; L340-S343 PolarHBondContact O-OG 3.24Å; L340-S343 VanDerWaalsContact O-OG 3.08Å; L340-M344 HydrophobicContact CD1-CE 3.67Å; L340-M344 HydrophobicContact CD1-SD 4.42Å; L340-M344 WeakPolarHBondContact O-CB 3.14Å; L340-M344 PolarHBondContact O-N 3.27Å; L340-L348 HydrophobicContact CD1-CD1 4.21Å; L340-L348 HydrophobicContact CD2-CD1 3.95Å; L340-L348 HydrophobicContact CG-CD1 3.77Å
341F94.9Very high94.4Very high0 Ų020.4 Ų20.40%010%0.104CC..Hα-helixtrans-77.9-30.5179.6-66.3-59.6000112.3M319 C337 F338 S343 R345 L348 Q351 M352 Y355M319-F341 HydrophobicContact CE-CE2 4.3Å; M319-F341 HydrophobicContact CE-CZ 4.4Å; C337-F341 HydrophobicContact CB-CD2 4.21Å; C337-F341 HydrophobicContact CB-CE2 4.19Å; C337-F341 WeakPolarHBondContact O-CD2 3.37Å; C337-F341 PolarHBondContact O-N 3.1Å; F338-F341 PolarHBondContact O-N 3.38Å; F341-S343 PolarHBondContact O-N 3.11Å; F341-R345 WeakPolarHBondContact O-CB 3.45Å; F341-R345 WeakPolarHBondContact O-CD 3.24Å; F341-R345 WeakPolarHBondContact O-CG 3.45Å; F341-R345 PolarHBondContact O-N 2.91Å; F341-L348 HydrophobicContact CD1-CB 4.28Å; F341-L348 HydrophobicContact CE1-CB 4.03Å; F341-L348 HydrophobicContact CE1-CD1 4.41Å; F341-Q351 HydrophobicContact CE1-CB 4Å; F341-Q351 HydrophobicContact CZ-CB 4.2Å; F341-M352 HydrophobicContact CB-CE 4.04Å; F341-M352 HydrophobicContact CB-CG 4.35Å; F341-M352 HydrophobicContact CB-SD 4.17Å; F341-M352 HydrophobicContact CD1-CB 3.61Å; F341-M352 HydrophobicContact CD1-CG 3.8Å; F341-M352 HydrophobicContact CD1-SD 4.29Å; F341-M352 HydrophobicContact CE1-CB 3.68Å; F341-M352 HydrophobicContact CE1-CG 4.26Å; F341-M352 HydrophobicContact CG-CB 4.32Å; F341-M352 HydrophobicContact CG-CG 4.02Å; F341-M352 HydrophobicContact CG-SD 4.43Å; F341-M352 HydrophobicContact CZ-CB 4.43Å; F341-Y355 AromaticContact CD2-CD1 3.34Å; F341-Y355 HydrophobicContact CD2-CD1 3.34Å; F341-Y355 AromaticContact CD2-CE1 3.69Å; F341-Y355 HydrophobicContact CD2-CE1 3.69Å; F341-Y355 AromaticContact CD2-CG 3.85Å; F341-Y355 HydrophobicContact CD2-CG 3.85Å; F341-Y355 AromaticContact CE2-CD1 3.41Å; F341-Y355 HydrophobicContact CE2-CD1 3.41Å; F341-Y355 VanDerWaalsContact CE2-CD1 3.41Å; F341-Y355 HydrophobicContact CE2-CD2 4.06Å; F341-Y355 HydrophobicContact CE2-CE1 4.09Å; F341-Y355 AromaticContact CE2-CG 3.38Å; F341-Y355 HydrophobicContact CE2-CG 3.38Å; F341-Y355 HydrophobicContact CG-CD1 4.29Å; F341-Y355 HydrophobicContact CZ-CD1 4.38Å; F341-Y355 HydrophobicContact CZ-CG 4.2Å
342E92.3Very high94.4Very high43 Ų4319 Ų1920%0.2019%0.092CC..Hα-helixtrans-65.9-21.1174.2-163.9-85.413100112.6F338 V388 R490 H491F338-E342 HydrophobicContact CE1-CB 4.49Å; F338-E342 HydrophobicContact CZ-CG 4.34Å; F338-E342 WeakPolarHBondContact O-CB 3.36Å; F338-E342 PolarHBondContact O-N 2.98Å; E342-V388 HydrophobicContact CG-CG1 4.14Å; E342-V388 HydrophobicContact CG-CG2 3.97Å; E342-R490 PolarHBondContact O-NH2 3.09Å; E342-R490 IonicContact OE1-CZ 2.88Å; E342-R490 IonicContact OE1-NE 2.67Å; E342-R490 PolarHBondContact OE1-NE 2.86Å; E342-R490 IonicContact OE1-NH2 3.09Å; E342-R490 PolarHBondContact OE1-NH2 3.33Å; E342-R490 IonicContact OE2-CZ 2.75Å; E342-R490 IonicContact OE2-NE 3.62Å; E342-R490 IonicContact OE2-NH2 2.67Å; E342-R490 PolarHBondContact OE2-NH2 2.72Å; E342-H491 PolarHBondContact O-CE1 3.15Å; E342-H491 PolarHBondContact O-NE2 2.95Å
343S90.7Very high94.4Very high7 Ų718 Ų185%0.0498%0.082CC..Hα-helixtrans-104.1-45.417852.90000115.3L339 L340 F341 R490L339-S343 PolarHBondContact O-N 3.31Å; L339-S343 PolarHBondContact O-OG 3.49Å; L340-S343 PolarHBondContact O-N 3.4Å; L340-S343 PolarHBondContact O-OG 3.24Å; L340-S343 VanDerWaalsContact O-OG 3.08Å; F341-S343 PolarHBondContact O-N 3.11Å; S343-R490 VanDerWaalsContact CA-NH2 3.31Å; S343-R490 VanDerWaalsContact CB-NH2 3.31Å
344M92.2Very high94.2Very high0 Ų020 Ų200%010%0.095CC..Hα-helixtrans-112.316.9-168.1-77.5172.4-93.800113.9L293 A297 I300 A301 V310 L340 S346 Q347 L348L293-M344 HydrophobicContact CD2-CE 3.79Å; A297-M344 HydrophobicContact CB-CE 3.94Å; I300-M344 HydrophobicContact CB-CE 4.34Å; I300-M344 HydrophobicContact CB-SD 4.36Å; I300-M344 HydrophobicContact CG2-CE 4.11Å; I300-M344 HydrophobicContact CG2-SD 3.81Å; A301-M344 HydrophobicContact CB-CG 3.79Å; A301-M344 HydrophobicContact CB-SD 4.23Å; V310-M344 HydrophobicContact CG1-SD 4.19Å; L340-M344 HydrophobicContact CD1-CE 3.67Å; L340-M344 HydrophobicContact CD1-SD 4.42Å; L340-M344 WeakPolarHBondContact O-CB 3.14Å; L340-M344 PolarHBondContact O-N 3.27Å; M344-S346 PolarHBondContact O-N 3.05Å; M344-S346 VanDerWaalsContact O-N 3.14Å; M344-Q347 VanDerWaalsContact C-OE1 3.3Å; M344-Q347 VanDerWaalsContact CA-OE1 3.22Å; M344-Q347 PolarHBondContact O-N 3.45Å; M344-Q347 PolarHBondContact O-OE1 3.42Å; M344-Q347 VanDerWaalsContact O-OE1 3.09Å; M344-L348 HydrophobicContact CB-CD1 3.65Å; M344-L348 HydrophobicContact CB-CG 4.08Å; M344-L348 VanDerWaalsContact O-CB 3.26Å; M344-L348 WeakPolarHBondContact O-CB 3.5Å; M344-L348 WeakPolarHBondContact O-CG 3.48Å; M344-L348 PolarHBondContact O-N 3.11Å
345R92.6Very high94.2Very high1 Ų119.9 Ų19.90%0.0049%0.094CC..THydrogen-bonded Turntrans-53.8-31.2178.844.8-166.8178.395.8-24.6114.9F341 L348 K349 M352 E394 N489 H491 F725 H727F341-R345 WeakPolarHBondContact O-CB 3.45Å; F341-R345 WeakPolarHBondContact O-CD 3.24Å; F341-R345 WeakPolarHBondContact O-CG 3.45Å; F341-R345 PolarHBondContact O-N 2.91Å; R345-L348 CarbonylContact O-C 3.59Å; R345-L348 PolarHBondContact O-N 3.43Å; R345-K349 PolarHBondContact O-N 3.2Å; R345-K349 VanDerWaalsContact O-N 3.08Å; R345-M352 HydrophobicContact CB-SD 3.71Å; R345-E394 IonicContact CZ-OE1 3.44Å; R345-E394 IonicContact CZ-OE2 2.72Å; R345-E394 IonicContact NH1-OE1 3.74Å; R345-E394 PolarHBondContact NH1-OE1 3.22Å; R345-E394 IonicContact NH1-OE2 2.8Å; R345-E394 PolarHBondContact NH1-OE2 3.37Å; R345-E394 IonicContact NH2-OE1 3.74Å; R345-E394 IonicContact NH2-OE2 2.7Å; R345-E394 PolarHBondContact NH2-OE2 2.92Å; R345-N489 PolarHBondContact NH2-OD1 3.21Å; R345-H491 PolarHBondContact NE-CE1 3.44Å; R345-H491 PolarHBondContact NH2-ND1 3.1Å; R345-F725 HydrophobicContact CB-CE2 4.4Å; R345-F725 HydrophobicContact CB-CZ 4.43Å; R345-F725 HydrophobicContact CG-CZ 4.39Å; R345-H727 PolarHBondContact NH1-CE1 3.3Å; R345-H727 PolarHBondContact NH1-ND1 3.47Å
346S89.7Confident94.1Very high31 Ų3113.5 Ų13.522%0.2177%0.07CC..THydrogen-bonded Turntrans-75.1-24.3176.941.90000114.2M344 H727M344-S346 PolarHBondContact O-N 3.05Å; M344-S346 VanDerWaalsContact O-N 3.14Å; S346-H727 VanDerWaalsContact CB-NE2 3.3Å; S346-H727 WeakPolarHBondContact CB-NE2 3.03Å; S346-H727 PolarHBondContact OG-NE2 3.06Å
347Q91.1Very high94Very high53 Ų5317.4 Ų17.425%0.2489%0.089CC..THydrogen-bonded Turntrans-91.3-18.2170.8-55.579.75.700112.6L307 R311 M344L307-Q347 HydrophobicContact CD1-CB 3.79Å; L307-Q347 HydrophobicContact CD1-CG 4.17Å; L307-Q347 HydrophobicContact CD2-CB 4.13Å; L307-Q347 HydrophobicContact CD2-CG 3.93Å; R311-Q347 PolarHBondContact NE-O 3.17Å; R311-Q347 VanDerWaalsContact NE-O 3.11Å; R311-Q347 PolarHBondContact NH2-O 2.85Å; M344-Q347 VanDerWaalsContact C-OE1 3.3Å; M344-Q347 VanDerWaalsContact CA-OE1 3.22Å; M344-Q347 PolarHBondContact O-N 3.45Å; M344-Q347 PolarHBondContact O-OE1 3.42Å; M344-Q347 VanDerWaalsContact O-OE1 3.09Å
348L94.3Very high93.7Very high0 Ų020.1 Ų20.10%010%0.099CC..  trans-118.622.3-170.6-60.2178.1000114.3V310 R311 T315 L340 F341 M344 R345 L350 Q351 M352V310-L348 HydrophobicContact CG1-CD1 3.94Å; V310-L348 HydrophobicContact CG1-CD2 4.3Å; R311-L348 HydrophobicContact CB-CD2 3.89Å; R311-L348 HydrophobicContact CG-CD2 4.06Å; T315-L348 HydrophobicContact CG2-CD1 4.4Å; L340-L348 HydrophobicContact CD1-CD1 4.21Å; L340-L348 HydrophobicContact CD2-CD1 3.95Å; L340-L348 HydrophobicContact CG-CD1 3.77Å; F341-L348 HydrophobicContact CD1-CB 4.28Å; F341-L348 HydrophobicContact CE1-CB 4.03Å; F341-L348 HydrophobicContact CE1-CD1 4.41Å; M344-L348 HydrophobicContact CB-CD1 3.65Å; M344-L348 HydrophobicContact CB-CG 4.08Å; M344-L348 VanDerWaalsContact O-CB 3.26Å; M344-L348 WeakPolarHBondContact O-CB 3.5Å; M344-L348 WeakPolarHBondContact O-CG 3.48Å; M344-L348 PolarHBondContact O-N 3.11Å; R345-L348 CarbonylContact O-C 3.59Å; R345-L348 PolarHBondContact O-N 3.43Å; L348-L350 VanDerWaalsContact C-N 3.31Å; L348-L350 PolarHBondContact O-N 3.2Å; L348-L350 VanDerWaalsContact O-N 3.15Å; L348-Q351 HydrophobicContact CB-CB 4.28Å; L348-Q351 HydrophobicContact CD2-CG 4.39Å; L348-Q351 WeakPolarHBondContact O-CB 3.34Å; L348-Q351 PolarHBondContact O-N 3.32Å; L348-Q351 PolarHBondContact O-OE1 2.99Å; L348-M352 PolarHBondContact O-N 3.19Å
349K94.6Very high93.5Very high7 Ų717.6 Ų17.63%0.039%0.088CC..Hα-helixtrans-40.1-54-179.6-178.9-175.6175-177.10113.4R345 M352 E353 N398 Y399 D402 Q722 L724 F725R345-K349 PolarHBondContact O-N 3.2Å; R345-K349 VanDerWaalsContact O-N 3.08Å; K349-M352 WeakPolarHBondContact O-CB 3.37Å; K349-M352 PolarHBondContact O-N 2.87Å; K349-E353 PolarHBondContact O-N 3.25Å; K349-N398 WeakPolarHBondContact CE-O 3.34Å; K349-N398 PolarHBondContact NZ-O 3.01Å; K349-Y399 WeakPolarHBondContact CA-OH 3.15Å; K349-Y399 HydrophobicContact CG-CE1 3.59Å; K349-Y399 WeakPolarHBondContact O-CE1 3.46Å; K349-Y399 PolarHBondContact O-OH 2.8Å; K349-D402 IonicContact NZ-OD2 2.8Å; K349-D402 PolarHBondContact NZ-OD2 3.29Å; K349-Q722 PolarHBondContact NZ-O 2.75Å; K349-L724 WeakPolarHBondContact CD-O 3.36Å; K349-L724 PolarHBondContact NZ-O 2.9Å; K349-F725 HydrophobicContact CB-CD2 4.18Å; K349-F725 HydrophobicContact CG-CD2 4.18Å
350L93.5Very high93.4Very high1 Ų117.3 Ų17.31%0.0059%0.087CC..Hα-helixtrans-76.4-30.8-173.7-50.6-176.7000112.8L348 M352 E353 V354 L714 R717L348-L350 VanDerWaalsContact C-N 3.31Å; L348-L350 PolarHBondContact O-N 3.2Å; L348-L350 VanDerWaalsContact O-N 3.15Å; L350-M352 VanDerWaalsContact C-N 3.29Å; L350-E353 WeakPolarHBondContact O-CB 3.33Å; L350-E353 PolarHBondContact O-N 3.03Å; L350-V354 PolarHBondContact O-N 3.21Å; L350-L714 HydrophobicContact CB-CD2 4.05Å; L350-L714 HydrophobicContact CB-CG 3.98Å; L350-R717 VanDerWaalsContact CD1-C 3.45Å; L350-R717 HydrophobicContact CD1-CB 3.64Å; L350-R717 HydrophobicContact CD1-CG 3.62Å
351Q94.7Very high93.2Very high0 Ų020 Ų200%011%0.109CC..Hα-helixtrans-66.1-35.7170.3-68.777.7-3.300110.7R311 T315 F341 L348 V354 Y355 W711 L714R311-Q351 PolarHBondContact O-NE2 3.49Å; T315-Q351 HydrophobicContact CG2-CB 4.11Å; T315-Q351 HydrophobicContact CG2-CG 4.07Å; F341-Q351 HydrophobicContact CE1-CB 4Å; F341-Q351 HydrophobicContact CZ-CB 4.2Å; L348-Q351 HydrophobicContact CB-CB 4.28Å; L348-Q351 HydrophobicContact CD2-CG 4.39Å; L348-Q351 WeakPolarHBondContact O-CB 3.34Å; L348-Q351 PolarHBondContact O-N 3.32Å; L348-Q351 PolarHBondContact O-OE1 2.99Å; Q351-V354 PolarHBondContact O-N 3.49Å; Q351-Y355 WeakPolarHBondContact O-CB 3.25Å; Q351-Y355 PolarHBondContact O-N 3.4Å; Q351-W711 HydrophobicContact CG-CH2 4.02Å; Q351-W711 HydrophobicContact CG-CZ2 4.1Å; Q351-L714 VanDerWaalsContact CD-CD2 3.48Å; Q351-L714 HydrophobicContact CG-CD2 3.8Å
352M95.6Very high93Very high1 Ų120.3 Ų20.31%0.00511%0.111CC..Hα-helixtrans-69.8-35.7175.1-165.2174.4-171.600111.9F341 R345 L348 K349 L350 Y355 L356 L391F341-M352 HydrophobicContact CB-CE 4.04Å; F341-M352 HydrophobicContact CB-CG 4.35Å; F341-M352 HydrophobicContact CB-SD 4.17Å; F341-M352 HydrophobicContact CD1-CB 3.61Å; F341-M352 HydrophobicContact CD1-CG 3.8Å; F341-M352 HydrophobicContact CD1-SD 4.29Å; F341-M352 HydrophobicContact CE1-CB 3.68Å; F341-M352 HydrophobicContact CE1-CG 4.26Å; F341-M352 HydrophobicContact CG-CB 4.32Å; F341-M352 HydrophobicContact CG-CG 4.02Å; F341-M352 HydrophobicContact CG-SD 4.43Å; F341-M352 HydrophobicContact CZ-CB 4.43Å; R345-M352 HydrophobicContact CB-SD 3.71Å; L348-M352 PolarHBondContact O-N 3.19Å; K349-M352 WeakPolarHBondContact O-CB 3.37Å; K349-M352 PolarHBondContact O-N 2.87Å; L350-M352 VanDerWaalsContact C-N 3.29Å; M352-Y355 PolarHBondContact O-N 3.13Å; M352-L356 HydrophobicContact CE-CD1 4.27Å; M352-L356 HydrophobicContact CG-CD1 4.03Å; M352-L356 HydrophobicContact CG-CG 4.39Å; M352-L356 WeakPolarHBondContact O-CB 3.32Å; M352-L356 WeakPolarHBondContact O-CG 3.43Å; M352-L356 PolarHBondContact O-N 3.27Å; M352-L391 HydrophobicContact CE-CD1 3.97Å; M352-L391 HydrophobicContact CE-CD2 4.05Å
353E94.8Very high92.9Very high8 Ų818.3 Ų18.34%0.03710%0.102CC..Hα-helixtrans-56-51.8170.1177.5172.2-150.400111.3K349 L350 Y355 L356 Q357 Y399 C405 S406 L408 R717K349-E353 PolarHBondContact O-N 3.25Å; L350-E353 WeakPolarHBondContact O-CB 3.33Å; L350-E353 PolarHBondContact O-N 3.03Å; E353-Y355 PolarHBondContact O-N 3.48Å; E353-L356 PolarHBondContact O-N 3.37Å; E353-Q357 WeakPolarHBondContact O-CB 3.25Å; E353-Q357 VanDerWaalsContact O-CG 3.27Å; E353-Q357 WeakPolarHBondContact O-CG 3.5Å; E353-Q357 PolarHBondContact O-N 3.1Å; E353-Y399 HydrophobicContact CB-CD1 4.2Å; E353-Y399 HydrophobicContact CB-CE1 3.95Å; E353-C405 WeakPolarHBondContact OE1-CA 3.46Å; E353-C405 PolarHBondContact OE2-SG 3.42Å; E353-S406 WeakPolarHBondContact OE1-CB 3.48Å; E353-S406 PolarHBondContact OE1-N 2.9Å; E353-S406 PolarHBondContact OE1-OG 3.03Å; E353-L408 HydrophobicContact CB-CD1 4.1Å; E353-L408 HydrophobicContact CG-CD1 4.23Å; E353-L408 HydrophobicContact CG-CD2 4.33Å; E353-R717 IonicContact OE2-CZ 3.81Å; E353-R717 IonicContact OE2-NH2 3.8Å; E353-R717 PolarHBondContact OE2-NH2 3.28Å
354V93.1Very high92.8Very high43 Ų4319.6 Ų19.626%0.26111%0.111SC..Hα-helixtrans-65.4-38.5178.5171.40000112.2M319 L350 Q351 R358 W711 L714M319-V354 HydrophobicContact CG-CG1 4.14Å; M319-V354 HydrophobicContact SD-CG1 4.26Å; L350-V354 PolarHBondContact O-N 3.21Å; Q351-V354 PolarHBondContact O-N 3.49Å; V354-R358 WeakPolarHBondContact O-CB 3.4Å; V354-R358 PolarHBondContact O-N 2.89Å; V354-W711 HydrophobicContact CG1-CZ3 4.4Å; V354-L714 HydrophobicContact CB-CD1 4.22Å; V354-L714 HydrophobicContact CG2-CD1 3.34Å
355Y95.7Very high92.3Very high0 Ų020.7 Ų20.70%012%0.118CC..Hα-helixtrans-59.9-46.4175.2171.3-121.7000112.7M319 L322 L334 C337 F341 Q351 M352 E353 R358 L359 L385M319-Y355 HydrophobicContact CE-CD2 3.97Å; M319-Y355 HydrophobicContact CE-CG 4.33Å; M319-Y355 HydrophobicContact SD-CD2 4.36Å; L322-Y355 HydrophobicContact CD1-CD2 3.73Å; L322-Y355 HydrophobicContact CD1-CE2 3.99Å; L334-Y355 HydrophobicContact CD2-CE2 3.92Å; C337-Y355 HydrophobicContact CB-CD2 4.13Å; C337-Y355 HydrophobicContact CB-CE1 4.32Å; C337-Y355 HydrophobicContact CB-CE2 3.52Å; F341-Y355 AromaticContact CD2-CD1 3.34Å; F341-Y355 HydrophobicContact CD2-CD1 3.34Å; F341-Y355 AromaticContact CD2-CE1 3.69Å; F341-Y355 HydrophobicContact CD2-CE1 3.69Å; F341-Y355 AromaticContact CD2-CG 3.85Å; F341-Y355 HydrophobicContact CD2-CG 3.85Å; F341-Y355 AromaticContact CE2-CD1 3.41Å; F341-Y355 HydrophobicContact CE2-CD1 3.41Å; F341-Y355 VanDerWaalsContact CE2-CD1 3.41Å; F341-Y355 HydrophobicContact CE2-CD2 4.06Å; F341-Y355 HydrophobicContact CE2-CE1 4.09Å; F341-Y355 AromaticContact CE2-CG 3.38Å; F341-Y355 HydrophobicContact CE2-CG 3.38Å; F341-Y355 HydrophobicContact CG-CD1 4.29Å; F341-Y355 HydrophobicContact CZ-CD1 4.38Å; F341-Y355 HydrophobicContact CZ-CG 4.2Å; Q351-Y355 WeakPolarHBondContact O-CB 3.25Å; Q351-Y355 PolarHBondContact O-N 3.4Å; M352-Y355 PolarHBondContact O-N 3.13Å; E353-Y355 PolarHBondContact O-N 3.48Å; Y355-R358 PolarHBondContact O-N 2.8Å; Y355-L359 HydrophobicContact CD1-CD1 4.45Å; Y355-L359 HydrophobicContact CD2-CD1 4.45Å; Y355-L359 HydrophobicContact CE1-CD1 3.87Å; Y355-L359 HydrophobicContact CE2-CD1 3.85Å; Y355-L359 HydrophobicContact CE2-CG 4.06Å; Y355-L359 PolarHBondContact O-N 3.12Å; Y355-L385 HydrophobicContact CE1-CD1 3.97Å
356L95.9Very high91.3Very high4 Ų426.6 Ų26.62%0.02115%0.15CC..Hα-helixtrans-72.5-37.9-179.2-70.2173.9000112.2M352 E353 R358 L359 T360 L385 L395 L408 I412M352-L356 HydrophobicContact CE-CD1 4.27Å; M352-L356 HydrophobicContact CG-CD1 4.03Å; M352-L356 HydrophobicContact CG-CG 4.39Å; M352-L356 WeakPolarHBondContact O-CB 3.32Å; M352-L356 WeakPolarHBondContact O-CG 3.43Å; M352-L356 PolarHBondContact O-N 3.27Å; E353-L356 PolarHBondContact O-N 3.37Å; L356-R358 VanDerWaalsContact C-N 3.32Å; L356-L359 HydrophobicContact CD2-CD1 4.35Å; L356-T360 VanDerWaalsContact O-CB 3.31Å; L356-T360 WeakPolarHBondContact O-CB 3.42Å; L356-T360 PolarHBondContact O-N 2.96Å; L356-T360 PolarHBondContact O-OG1 3.2Å; L356-L385 HydrophobicContact CD2-CD1 4.02Å; L356-L395 HydrophobicContact CD1-CD1 4.42Å; L356-L395 HydrophobicContact CD1-CD2 3.49Å; L356-L395 VanDerWaalsContact CD1-CD2 3.49Å; L356-L408 HydrophobicContact CB-CD1 4.38Å; L356-L408 HydrophobicContact CB-CD2 4.3Å; L356-L408 HydrophobicContact CD1-CD1 3.96Å; L356-I412 HydrophobicContact CB-CD1 4.24Å; L356-I412 HydrophobicContact CD1-CD1 4.33Å; L356-I412 HydrophobicContact CD2-CD1 4Å; L356-I412 HydrophobicContact CG-CD1 4.42Å
357Q93.5Very high90Very high82 Ų8230.1 Ų30.138%0.38317%0.166SC..Hα-helixtrans-58.6-43.9167.7-74173.6-1200111.5E353 T360 A361 S406 L408E353-Q357 WeakPolarHBondContact O-CB 3.25Å; E353-Q357 VanDerWaalsContact O-CG 3.27Å; E353-Q357 WeakPolarHBondContact O-CG 3.5Å; E353-Q357 PolarHBondContact O-N 3.1Å; Q357-T360 PolarHBondContact O-N 3.18Å; Q357-A361 WeakPolarHBondContact O-CB 3.41Å; Q357-A361 PolarHBondContact O-N 3.24Å; Q357-S406 PolarHBondContact NE2-OG 3.23Å; Q357-L408 HydrophobicContact CG-CD2 4.14Å
358R91.4Very high88.7Confident56 Ų5636.8 Ų36.821%0.21120%0.197CC..Hα-helixtrans-65.4-44.1-179.4-178.165.5-167.9162.110.9111.8L322 Y323 V354 Y355 L356 A361 I362L322-R358 HydrophobicContact CB-CG 3.99Å; L322-R358 HydrophobicContact CD1-CG 4.01Å; L322-R358 PolarHBondContact O-NE 2.99Å; L322-R358 PolarHBondContact O-NH2 3.18Å; Y323-R358 VanDerWaalsContact CG-NH2 3.32Å; Y323-R358 VanDerWaalsContact CZ-NH1 3.25Å; V354-R358 WeakPolarHBondContact O-CB 3.4Å; V354-R358 PolarHBondContact O-N 2.89Å; Y355-R358 PolarHBondContact O-N 2.8Å; L356-R358 VanDerWaalsContact C-N 3.32Å; R358-A361 PolarHBondContact O-N 3.45Å; R358-I362 HydrophobicContact CG-CD1 4.04Å; R358-I362 WeakPolarHBondContact O-CD1 3.09Å; R358-I362 VanDerWaalsContact O-CG1 3.27Å; R358-I362 WeakPolarHBondContact O-CG1 3.33Å; R358-I362 PolarHBondContact O-N 3.24Å
359L93.5Very high87.1Confident1 Ų140.6 Ų40.61%0.00522%0.224CC..Hα-helixtrans-57.7-49.9170.4-83.1174.2000111.5L334 Y355 L356 A361 I362 I363 A378 V382 L385L334-L359 HydrophobicContact CD2-CD2 3.78Å; Y355-L359 HydrophobicContact CD1-CD1 4.45Å; Y355-L359 HydrophobicContact CD2-CD1 4.45Å; Y355-L359 HydrophobicContact CE1-CD1 3.87Å; Y355-L359 HydrophobicContact CE2-CD1 3.85Å; Y355-L359 HydrophobicContact CE2-CG 4.06Å; Y355-L359 PolarHBondContact O-N 3.12Å; L356-L359 HydrophobicContact CD2-CD1 4.35Å; L359-A361 VanDerWaalsContact C-N 3.27Å; L359-A361 PolarHBondContact O-N 3.48Å; L359-I362 PolarHBondContact O-N 3.28Å; L359-I362 VanDerWaalsContact O-N 3.13Å; L359-I363 VanDerWaalsContact O-CG1 3.3Å; L359-I363 WeakPolarHBondContact O-CG1 3.3Å; L359-I363 PolarHBondContact O-N 3.06Å; L359-A378 HydrophobicContact CD2-CB 3.79Å; L359-V382 HydrophobicContact CD1-CG2 4.24Å; L359-L385 HydrophobicContact CD1-CD1 4.25Å
360T92.3Very high86Confident26 Ų2641.3 Ų41.316%0.1623%0.229CC..Hα-helixtrans-57.6-40.4180-58.50000111.4L356 Q357 S364 M415L356-T360 VanDerWaalsContact O-CB 3.31Å; L356-T360 WeakPolarHBondContact O-CB 3.42Å; L356-T360 PolarHBondContact O-N 2.96Å; L356-T360 PolarHBondContact O-OG1 3.2Å; Q357-T360 PolarHBondContact O-N 3.18Å; T360-S364 WeakPolarHBondContact O-CB 3.41Å; T360-S364 PolarHBondContact O-N 3.04Å; T360-S364 PolarHBondContact O-OG 2.99Å; T360-M415 HydrophobicContact CG2-CB 3.92Å; T360-M415 HydrophobicContact CG2-CG 3.98Å
361A90.4Very high85.3Confident55 Ų5542.3 Ų42.346%0.45524%0.24SC..Hα-helixtrans-68.6-40.3175.800000113.6Q357 R358 L359 S365Q357-A361 WeakPolarHBondContact O-CB 3.41Å; Q357-A361 PolarHBondContact O-N 3.24Å; R358-A361 PolarHBondContact O-N 3.45Å; L359-A361 VanDerWaalsContact C-N 3.27Å; L359-A361 PolarHBondContact O-N 3.48Å; A361-S365 WeakPolarHBondContact O-CB 3.35Å; A361-S365 PolarHBondContact O-N 3.2Å; A361-S365 PolarHBondContact O-OG 2.97Å
362I90.5Very high84.9Confident8 Ų845.1 Ų45.14%0.04125%0.251CS..Hα-helixtrans-67.8-38.3177.7-68.5163.3000111.4L322 F330 R358 L359 S365 R375 A378L322-I362 HydrophobicContact CB-CD1 4.37Å; L322-I362 WeakPolarHBondContact O-CD1 3.3Å; F330-I362 HydrophobicContact CE2-CD1 3.98Å; F330-I362 HydrophobicContact CZ-CD1 4.28Å; F330-I362 HydrophobicContact CZ-CG2 4.25Å; R358-I362 HydrophobicContact CG-CD1 4.04Å; R358-I362 WeakPolarHBondContact O-CD1 3.09Å; R358-I362 VanDerWaalsContact O-CG1 3.27Å; R358-I362 WeakPolarHBondContact O-CG1 3.33Å; R358-I362 PolarHBondContact O-N 3.24Å; L359-I362 PolarHBondContact O-N 3.28Å; L359-I362 VanDerWaalsContact O-N 3.13Å; I362-S365 PolarHBondContact O-OG 2.91Å; I362-R375 WeakPolarHBondContact O-CD 3.1Å; I362-R375 WeakPolarHBondContact O-CG 3.3Å; I362-A378 HydrophobicContact CG2-CB 4.42Å
363I91.6Very high84.6Confident0 Ų050 Ų500%027%0.274CS..Hα-helixtrans-75.5-39.6178.8-59.4161.5000110.4L359 S365 A378 L379 V382 M415L359-I363 VanDerWaalsContact O-CG1 3.3Å; L359-I363 WeakPolarHBondContact O-CG1 3.3Å; L359-I363 PolarHBondContact O-N 3.06Å; I363-S365 VanDerWaalsContact C-N 3.33Å; I363-S365 PolarHBondContact O-N 3.32Å; I363-A378 HydrophobicContact CD1-CB 3.98Å; I363-A378 HydrophobicContact CG1-CB 3.59Å; I363-L379 HydrophobicContact CD1-CD2 4.14Å; I363-L379 HydrophobicContact CD1-CG 4.05Å; I363-L379 HydrophobicContact CG1-CG 4.19Å; I363-L379 HydrophobicContact CG2-CD1 3.9Å; I363-L379 HydrophobicContact CG2-CD2 3.87Å; I363-L379 HydrophobicContact CG2-CG 3.7Å; I363-V382 HydrophobicContact CD1-CG2 3.92Å; I363-M415 HydrophobicContact CB-CG 4.5Å; I363-M415 HydrophobicContact CB-SD 3.84Å; I363-M415 HydrophobicContact CD1-CE 3.92Å; I363-M415 HydrophobicContact CD1-SD 4.01Å; I363-M415 HydrophobicContact CG2-CG 4.39Å; I363-M415 HydrophobicContact CG2-SD 3.48Å; I363-M415 WeakPolarHBondContact CG2-SD 3.41Å
364S88.7Confident84.5Confident35 Ų3550.9 Ų50.925%0.24528%0.276CS..Hα-helixtrans-78.5-9.9-176.6-560000114.9T360 D366 M415T360-S364 WeakPolarHBondContact O-CB 3.41Å; T360-S364 PolarHBondContact O-N 3.04Å; T360-S364 PolarHBondContact O-OG 2.99Å; S364-D366 PolarHBondContact O-N 2.95Å; S364-M415 WeakPolarHBondContact OG-CG 3.26Å
365S81.9Confident84.4Confident23 Ų2351.6 Ų51.616%0.16127%0.274CS..  trans-72.3119.8-177.353.10000111.5A361 I362 I363 N367 T370 R375A361-S365 WeakPolarHBondContact O-CB 3.35Å; A361-S365 PolarHBondContact O-N 3.2Å; A361-S365 PolarHBondContact O-OG 2.97Å; I362-S365 PolarHBondContact O-OG 2.91Å; I363-S365 VanDerWaalsContact C-N 3.33Å; I363-S365 PolarHBondContact O-N 3.32Å; S365-N367 PolarHBondContact O-N 3.22Å; S365-T370 WeakPolarHBondContact OG-CB 3.49Å; S365-T370 WeakPolarHBondContact OG-CG2 3.14Å; S365-T370 PolarHBondContact OG-OG1 3.15Å; S365-R375 PolarHBondContact O-NH1 3.48Å
366D70Confident84.3Confident124 Ų12454.4 Ų54.466%0.66329%0.288SS*.  trans-81.49.2177.5-59.1-48.9000112.2S364 K418S364-D366 PolarHBondContact O-N 2.95Å; D366-K418 VanDerWaalsContact CG-NZ 3.27Å; D366-K418 IonicContact OD1-NZ 2.8Å; D366-K418 PolarHBondContact OD1-NZ 3.36Å; D366-K418 IonicContact OD2-NZ 3.67Å; D366-K418 PolarHBondContact OD2-NZ 3.46Å
367N64.1Low84.2Confident105 Ų10556.4 Ų56.456%0.56130%0.298SS*.  trans-79.4135.3-179.9-66.9-15.5000112.3S365 S369 T370S365-N367 PolarHBondContact O-N 3.22Å; N367-S369 VanDerWaalsContact C-N 3.25Å; N367-S369 PolarHBondContact O-N 2.93Å; N367-T370 PolarHBondContact O-N 3.4Å; N367-T370 PolarHBondContact O-OG1 3.42Å
368E61.9Low84.2Confident193 Ų19352.5 Ų52.590%0.90228%0.28SS*.THydrogen-bonded Turntrans-63.6-26.9175.2-62.9-173.714900113.6T370E368-T370 VanDerWaalsContact C-N 3.26Å; E368-T370 PolarHBondContact O-N 3.41Å
369S62.2Low84.4Confident80 Ų8049.8 Ų49.856%0.55927%0.269SS*.THydrogen-bonded Turntrans-64.9-28.1175.956.40000113.2N367 G371 R374N367-S369 VanDerWaalsContact C-N 3.25Å; N367-S369 PolarHBondContact O-N 2.93Å; S369-G371 PolarHBondContact O-N 2.97Å; S369-R374 PolarHBondContact O-NH2 3.36Å
370T71Confident84.4Confident22 Ų2251.9 Ų51.914%0.13528%0.281CS..SBendtrans-79.275.7167.1360000110.3S365 N367 E368 R375S365-T370 WeakPolarHBondContact OG-CB 3.49Å; S365-T370 WeakPolarHBondContact OG-CG2 3.14Å; S365-T370 PolarHBondContact OG-OG1 3.15Å; N367-T370 PolarHBondContact O-N 3.4Å; N367-T370 PolarHBondContact O-OG1 3.42Å; E368-T370 VanDerWaalsContact C-N 3.26Å; E368-T370 PolarHBondContact O-N 3.41Å; T370-R375 PolarHBondContact O-NE 3.05Å
371G78.8Confident84.6Confident22 Ų2251.1 Ų51.123%0.22728%0.276CS..  trans-45.3145.518000000113.9S369 E373 R374 R375S369-G371 PolarHBondContact O-N 2.97Å; G371-E373 VanDerWaalsContact C-N 3.27Å; G371-E373 PolarHBondContact O-N 2.96Å; G371-R374 PolarHBondContact O-N 2.78Å; G371-R375 PolarHBondContact O-N 3.09Å
372Y87.1Confident84.8Confident60 Ų6048.7 Ų48.724%0.23526%0.256CS..Hα-helixtrans-54.3-42.4-170.1173.6-90.2000112.6R374 R375 E376 M427 G428 T429Y372-R374 VanDerWaalsContact C-N 3.32Å; Y372-R374 PolarHBondContact O-N 3.17Å; Y372-R375 PolarHBondContact O-N 3.01Å; Y372-R375 VanDerWaalsContact O-N 3.08Å; Y372-E376 HydrophobicContact CE1-CB 4.15Å; Y372-E376 VanDerWaalsContact CE1-CD 3.41Å; Y372-E376 HydrophobicContact CE1-CG 4.33Å; Y372-E376 VanDerWaalsContact CE1-OE1 3.25Å; Y372-E376 WeakPolarHBondContact CE1-OE1 3.39Å; Y372-E376 WeakPolarHBondContact CE1-OE2 3.24Å; Y372-E376 VanDerWaalsContact CZ-OE1 3.26Å; Y372-E376 PolarHBondContact O-N 2.81Å; Y372-E376 PolarHBondContact OH-OE1 3.24Å; Y372-M427 HydrophobicContact CD2-CE 3.76Å; Y372-M427 HydrophobicContact CD2-SD 4.37Å; Y372-M427 HydrophobicContact CE2-CB 4.03Å; Y372-M427 HydrophobicContact CE2-CE 3.37Å; Y372-M427 HydrophobicContact CE2-SD 3.88Å; Y372-G428 WeakPolarHBondContact OH-CA 3.3Å; Y372-G428 PolarHBondContact OH-N 2.92Å; Y372-T429 HydrophobicContact CD2-CG2 4.18Å; Y372-T429 HydrophobicContact CE2-CG2 3.53Å; Y372-T429 PolarHBondContact OH-N 3.23Å
373E89.5Confident85Confident103 Ų10349 Ų4948%0.48126%0.258SS..Hα-helixtrans-60.1-39.7-179.6-54.384.7168.500111.8V327 G371 R375 E376 I377V327-E373 HydrophobicContact CG1-CB 4.11Å; V327-E373 HydrophobicContact CG2-CB 4.25Å; G371-E373 VanDerWaalsContact C-N 3.27Å; G371-E373 PolarHBondContact O-N 2.96Å; E373-R375 VanDerWaalsContact C-N 3.34Å; E373-R375 PolarHBondContact O-N 3.47Å; E373-E376 PolarHBondContact O-N 3.19Å; E373-I377 WeakPolarHBondContact O-CB 3.25Å; E373-I377 WeakPolarHBondContact O-CD1 3.25Å; E373-I377 VanDerWaalsContact O-CG1 3.26Å; E373-I377 WeakPolarHBondContact O-CG1 3.47Å; E373-I377 PolarHBondContact O-N 3.44Å
374R91.6Very high85.2Confident26 Ų2655.3 Ų55.310%0.09828%0.282CS..Hα-helixtrans-65.9-37176.6-66.8-163.8-77.1176.3-7.9111.2S324 E325 V327 F330 S369 G371 Y372 A378S324-R374 PolarHBondContact O-NH1 3.22Å; E325-R374 IonicContact OE1-NH2 2.89Å; V327-R374 HydrophobicContact CG2-CG 4.4Å; F330-R374 HydrophobicContact CD1-CB 4.25Å; F330-R374 HydrophobicContact CD1-CG 4.12Å; F330-R374 HydrophobicContact CE1-CB 4Å; F330-R374 HydrophobicContact CE1-CG 4.38Å; F330-R374 VanDerWaalsContact CE1-O 3.3Å; F330-R374 WeakPolarHBondContact CE1-O 3.47Å; F330-R374 HydrophobicContact CG-CG 4.5Å; F330-R374 HydrophobicContact CZ-CB 4.49Å; S369-R374 PolarHBondContact O-NH2 3.36Å; G371-R374 PolarHBondContact O-N 2.78Å; Y372-R374 VanDerWaalsContact C-N 3.32Å; Y372-R374 PolarHBondContact O-N 3.17Å; R374-A378 WeakPolarHBondContact O-CB 3.36Å; R374-A378 PolarHBondContact O-N 3.16Å; R374-A378 VanDerWaalsContact O-N 3.07Å
375R91.4Very high85.4Confident58 Ų5853.8 Ų53.822%0.21927%0.271CS..Hα-helixtrans-72.8-37.9176.2-65.7-167.3-73.3173.54.3112.4I362 S365 T370 G371 Y372 E373 L379 T429I362-R375 WeakPolarHBondContact O-CD 3.1Å; I362-R375 WeakPolarHBondContact O-CG 3.3Å; S365-R375 PolarHBondContact O-NH1 3.48Å; T370-R375 PolarHBondContact O-NE 3.05Å; G371-R375 PolarHBondContact O-N 3.09Å; Y372-R375 PolarHBondContact O-N 3.01Å; Y372-R375 VanDerWaalsContact O-N 3.08Å; E373-R375 VanDerWaalsContact C-N 3.34Å; E373-R375 PolarHBondContact O-N 3.47Å; R375-L379 WeakPolarHBondContact O-CB 3.3Å; R375-L379 WeakPolarHBondContact O-CG 3.49Å; R375-L379 PolarHBondContact O-N 3.47Å; R375-T429 HydrophobicContact CB-CG2 4.47Å
376E92.3Very high85.9Confident60 Ų6053.1 Ų53.128%0.2827%0.265SS..Hα-helixtrans-65.2-47.6176.6-166.1168-115.600112Y372 E373 A378 L379 D380 G428 T429 L432Y372-E376 HydrophobicContact CE1-CB 4.15Å; Y372-E376 VanDerWaalsContact CE1-CD 3.41Å; Y372-E376 HydrophobicContact CE1-CG 4.33Å; Y372-E376 VanDerWaalsContact CE1-OE1 3.25Å; Y372-E376 WeakPolarHBondContact CE1-OE1 3.39Å; Y372-E376 WeakPolarHBondContact CE1-OE2 3.24Å; Y372-E376 VanDerWaalsContact CZ-OE1 3.26Å; Y372-E376 PolarHBondContact O-N 2.81Å; Y372-E376 PolarHBondContact OH-OE1 3.24Å; E373-E376 PolarHBondContact O-N 3.19Å; E376-A378 PolarHBondContact O-N 3.12Å; E376-L379 PolarHBondContact O-N 2.97Å; E376-D380 PolarHBondContact O-N 3.29Å; E376-G428 WeakPolarHBondContact OE1-CA 3.45Å; E376-T429 HydrophobicContact CB-CG2 4.06Å; E376-T429 HydrophobicContact CG-CG2 4.49Å; E376-L432 HydrophobicContact CG-CD1 3.65Å; E376-L432 WeakPolarHBondContact O-CD1 3.45Å
377I94.6Very high86.9Confident45 Ų4552.2 Ų52.223%0.23126%0.26CS..Hα-helixtrans-68.8-33.9177.8-63.8164.4000111.8V327 A331 L334 E373 S381V327-I377 HydrophobicContact CG1-CD1 3.41Å; V327-I377 VanDerWaalsContact CG1-CD1 3.41Å; A331-I377 HydrophobicContact CB-CG2 4.12Å; L334-I377 HydrophobicContact CD1-CG2 3.85Å; E373-I377 WeakPolarHBondContact O-CB 3.25Å; E373-I377 WeakPolarHBondContact O-CD1 3.25Å; E373-I377 VanDerWaalsContact O-CG1 3.26Å; E373-I377 WeakPolarHBondContact O-CG1 3.47Å; E373-I377 PolarHBondContact O-N 3.44Å; I377-S381 WeakPolarHBondContact O-CB 3.33Å; I377-S381 PolarHBondContact O-N 2.99Å; I377-S381 PolarHBondContact O-OG 3.41Å
378A94.7Very high88.1Confident0 Ų047.7 Ų47.70%024%0.236CC..Hα-helixtrans-65.1-41.5172.400000111.9F330 L359 I362 I363 R374 E376 S381 V382F330-A378 HydrophobicContact CE1-CB 4.45Å; F330-A378 HydrophobicContact CZ-CB 4.27Å; L359-A378 HydrophobicContact CD2-CB 3.79Å; I362-A378 HydrophobicContact CG2-CB 4.42Å; I363-A378 HydrophobicContact CD1-CB 3.98Å; I363-A378 HydrophobicContact CG1-CB 3.59Å; R374-A378 WeakPolarHBondContact O-CB 3.36Å; R374-A378 PolarHBondContact O-N 3.16Å; R374-A378 VanDerWaalsContact O-N 3.07Å; E376-A378 PolarHBondContact O-N 3.12Å; A378-S381 WeakPolarHBondContact O-CB 3.32Å; A378-S381 PolarHBondContact O-N 2.77Å; A378-V382 PolarHBondContact O-N 2.9Å; A378-V382 VanDerWaalsContact O-N 3.08Å
379L94.4Very high89.3Confident0 Ų040 Ų400%020%0.203CC..Hα-helixtrans-65.8-45.7175.4-84.5163.4000112.5I363 R375 E376 S381 V382 V383 M415 L416 T429 L432 A433I363-L379 HydrophobicContact CD1-CD2 4.14Å; I363-L379 HydrophobicContact CD1-CG 4.05Å; I363-L379 HydrophobicContact CG1-CG 4.19Å; I363-L379 HydrophobicContact CG2-CD1 3.9Å; I363-L379 HydrophobicContact CG2-CD2 3.87Å; I363-L379 HydrophobicContact CG2-CG 3.7Å; R375-L379 WeakPolarHBondContact O-CB 3.3Å; R375-L379 WeakPolarHBondContact O-CG 3.49Å; R375-L379 PolarHBondContact O-N 3.47Å; E376-L379 PolarHBondContact O-N 2.97Å; L379-S381 PolarHBondContact O-N 3.05Å; L379-V382 WeakPolarHBondContact O-CA 3.46Å; L379-V382 WeakPolarHBondContact O-CB 3.18Å; L379-V382 PolarHBondContact O-N 3Å; L379-V383 WeakPolarHBondContact O-CG2 3.33Å; L379-V383 PolarHBondContact O-N 3.14Å; L379-M415 HydrophobicContact CD2-SD 4.47Å; L379-L416 HydrophobicContact CD2-CD2 3.64Å; L379-T429 HydrophobicContact CD1-CG2 3.95Å; L379-L432 HydrophobicContact CB-CB 3.96Å; L379-L432 HydrophobicContact CB-CD1 4.27Å; L379-A433 HydrophobicContact CD2-CB 4.1Å
380D94.6Very high90.5Very high45 Ų4536.5 Ų36.524%0.24118%0.179CC..Hα-helixtrans-58.5-34.8172.8174.849.6000111.8E376 V382 V383 R384 L432E376-D380 PolarHBondContact O-N 3.29Å; D380-V382 PolarHBondContact O-N 3.08Å; D380-V383 PolarHBondContact O-N 2.71Å; D380-R384 VanDerWaalsContact O-CG 3.23Å; D380-R384 WeakPolarHBondContact O-CG 3.47Å; D380-R384 PolarHBondContact O-N 3.08Å; D380-R384 IonicContact OD1-NE 3.98Å; D380-R384 PolarHBondContact OD1-NE 2.88Å; D380-R384 IonicContact OD1-NH2 3.98Å; D380-R384 IonicContact OD2-CZ 2.72Å; D380-R384 IonicContact OD2-NE 3.09Å; D380-R384 PolarHBondContact OD2-NE 3.49Å; D380-R384 IonicContact OD2-NH2 3.74Å; D380-R384 PolarHBondContact OD2-NH2 3.35Å; D380-L432 HydrophobicContact CB-CD1 4.19Å; D380-L432 HydrophobicContact CB-CD2 4.27Å
381S94.8Very high91.5Very high10 Ų1035.6 Ų35.67%0.0717%0.173CC..Hα-helixtrans-65.4-35.7172.4-58.10000112.9I377 A378 L379 L385I377-S381 WeakPolarHBondContact O-CB 3.33Å; I377-S381 PolarHBondContact O-N 2.99Å; I377-S381 PolarHBondContact O-OG 3.41Å; A378-S381 WeakPolarHBondContact O-CB 3.32Å; A378-S381 PolarHBondContact O-N 2.77Å; L379-S381 PolarHBondContact O-N 3.05Å; S381-L385 WeakPolarHBondContact O-CD1 3.26Å; S381-L385 VanDerWaalsContact O-CG 3.26Å; S381-L385 WeakPolarHBondContact O-CG 3.38Å; S381-L385 PolarHBondContact O-N 2.83Å; S381-L385 VanDerWaalsContact O-N 3.08Å
382V95.8Very high92.2Very high3 Ų335.2 Ų35.22%0.01817%0.168CC..Hα-helixtrans-69-41.3172.61760000111.5L359 I363 A378 L379 D380 R384 L385 F386 I412 L416 A436L359-V382 HydrophobicContact CD1-CG2 4.24Å; I363-V382 HydrophobicContact CD1-CG2 3.92Å; A378-V382 PolarHBondContact O-N 2.9Å; A378-V382 VanDerWaalsContact O-N 3.08Å; L379-V382 WeakPolarHBondContact O-CA 3.46Å; L379-V382 WeakPolarHBondContact O-CB 3.18Å; L379-V382 PolarHBondContact O-N 3Å; D380-V382 PolarHBondContact O-N 3.08Å; V382-R384 VanDerWaalsContact C-N 3.34Å; V382-R384 PolarHBondContact O-N 3.39Å; V382-L385 PolarHBondContact O-N 2.7Å; V382-F386 PolarHBondContact O-N 3.21Å; V382-I412 HydrophobicContact CG1-CG2 3.92Å; V382-L416 HydrophobicContact CG1-CD1 4.27Å; V382-L416 HydrophobicContact CG1-CD2 4.1Å; V382-A436 HydrophobicContact CG1-CB 4.4Å
383V95Very high92.4Very high15 Ų1532.5 Ų32.59%0.09116%0.158CC..Hα-helixtrans-56.1-49.4172.9178.40000110.3L379 D380 L385 F386 L387 L432 D435 A436L379-V383 WeakPolarHBondContact O-CG2 3.33Å; L379-V383 PolarHBondContact O-N 3.14Å; D380-V383 PolarHBondContact O-N 2.71Å; V383-L385 VanDerWaalsContact C-N 3.3Å; V383-L385 PolarHBondContact O-N 3.07Å; V383-F386 PolarHBondContact O-N 3.4Å; V383-L387 HydrophobicContact CG1-CD1 4.05Å; V383-L387 WeakPolarHBondContact O-CG 3.37Å; V383-L387 PolarHBondContact O-N 2.7Å; V383-L432 HydrophobicContact CG2-CB 4.41Å; V383-L432 HydrophobicContact CG2-CD2 4.36Å; V383-L432 VanDerWaalsContact CG2-O 3.29Å; V383-L432 WeakPolarHBondContact CG2-O 3.33Å; V383-D435 HydrophobicContact CG2-CB 4.42Å; V383-A436 HydrophobicContact CG2-CB 3.86Å
384R94.3Very high92.6Very high132 Ų13227.6 Ų27.650%0.49814%0.136SC..Hα-helixtrans-60.5-36.8178.2-68.5167.1-169.5-1439.4113F338 D380 V382 L387F338-R384 HydrophobicContact CD2-CB 4.29Å; F338-R384 HydrophobicContact CE2-CB 3.93Å; D380-R384 VanDerWaalsContact O-CG 3.23Å; D380-R384 WeakPolarHBondContact O-CG 3.47Å; D380-R384 PolarHBondContact O-N 3.08Å; D380-R384 IonicContact OD1-NE 3.98Å; D380-R384 PolarHBondContact OD1-NE 2.88Å; D380-R384 IonicContact OD1-NH2 3.98Å; D380-R384 IonicContact OD2-CZ 2.72Å; D380-R384 IonicContact OD2-NE 3.09Å; D380-R384 PolarHBondContact OD2-NE 3.49Å; D380-R384 IonicContact OD2-NH2 3.74Å; D380-R384 PolarHBondContact OD2-NH2 3.35Å; V382-R384 VanDerWaalsContact C-N 3.34Å; V382-R384 PolarHBondContact O-N 3.39Å; R384-L387 PolarHBondContact O-N 3.23Å
385L93.7Very high92.8Very high4 Ų426.5 Ų26.52%0.02113%0.131CC..Hα-helixtrans-68.2-44.4175.5-72.8163.4000111.5F338 Y355 L356 L359 S381 V382 V383 L387 V388 L391F338-L385 HydrophobicContact CD2-CD2 3.94Å; F338-L385 HydrophobicContact CD2-CG 4.23Å; F338-L385 HydrophobicContact CE2-CD2 4.27Å; Y355-L385 HydrophobicContact CE1-CD1 3.97Å; L356-L385 HydrophobicContact CD2-CD1 4.02Å; L359-L385 HydrophobicContact CD1-CD1 4.25Å; S381-L385 WeakPolarHBondContact O-CD1 3.26Å; S381-L385 VanDerWaalsContact O-CG 3.26Å; S381-L385 WeakPolarHBondContact O-CG 3.38Å; S381-L385 PolarHBondContact O-N 2.83Å; S381-L385 VanDerWaalsContact O-N 3.08Å; V382-L385 PolarHBondContact O-N 2.7Å; V383-L385 VanDerWaalsContact C-N 3.3Å; V383-L385 PolarHBondContact O-N 3.07Å; L385-L387 PolarHBondContact O-N 2.85Å; L385-V388 VanDerWaalsContact O-CB 3.28Å; L385-V388 WeakPolarHBondContact O-CB 3.3Å; L385-V388 WeakPolarHBondContact O-CG2 3.49Å; L385-V388 PolarHBondContact O-N 2.71Å; L385-L391 HydrophobicContact CB-CD2 4.13Å; L385-L391 HydrophobicContact CD2-CD2 4.11Å; L385-L391 WeakPolarHBondContact O-CD2 3.36Å
386F92.5Very high92.9Very high8 Ų823.7 Ų23.74%0.03512%0.121CC..Hα-helixtrans-70.1-15.1177.3-77.16.8000113.6V382 V383 L395 F409 I412 L416 A436 A439 V440V382-F386 PolarHBondContact O-N 3.21Å; V383-F386 PolarHBondContact O-N 3.4Å; F386-L395 HydrophobicContact CE1-CD1 3.87Å; F386-F409 HydrophobicContact CZ-CD2 4.29Å; F386-F409 HydrophobicContact CZ-CE2 4.38Å; F386-I412 HydrophobicContact CE1-CG2 4.21Å; F386-I412 HydrophobicContact CE2-CG2 4.01Å; F386-I412 HydrophobicContact CZ-CB 4.23Å; F386-I412 HydrophobicContact CZ-CG2 3.46Å; F386-I412 VanDerWaalsContact CZ-CG2 3.46Å; F386-L416 HydrophobicContact CD2-CD1 4.21Å; F386-L416 HydrophobicContact CE2-CD1 3.62Å; F386-L416 HydrophobicContact CZ-CD1 4.43Å; F386-A436 HydrophobicContact CD2-CB 4.24Å; F386-A439 HydrophobicContact CB-CB 4.46Å; F386-V440 HydrophobicContact CB-CG2 4.17Å; F386-V440 HydrophobicContact CD2-CG2 3.44Å; F386-V440 VanDerWaalsContact CD2-CG2 3.44Å; F386-V440 HydrophobicContact CE2-CG2 3.92Å; F386-V440 HydrophobicContact CG-CG2 3.95Å
387L91.2Very high92.9Very high105 Ų10521.3 Ų21.355%0.5511%0.11SC..THydrogen-bonded Turntrans-82-4.8167-69.2169000114.2V383 R384 L385 P389 A439V383-L387 HydrophobicContact CG1-CD1 4.05Å; V383-L387 WeakPolarHBondContact O-CG 3.37Å; V383-L387 PolarHBondContact O-N 2.7Å; R384-L387 PolarHBondContact O-N 3.23Å; L385-L387 PolarHBondContact O-N 2.85Å; L387-P389 WeakPolarHBondContact O-CD 2.99Å; L387-A439 HydrophobicContact CD2-CB 3.91Å; L387-A439 HydrophobicContact CG-CB 4.23Å
388V89.8Confident92.8Very high11 Ų1119.4 Ų19.47%0.06710%0.1CC..SBendtrans-76.3120172.9178.60000109.3F338 E342 L385 G390 L391F338-V388 HydrophobicContact CE2-CG2 4.02Å; F338-V388 HydrophobicContact CZ-CG2 4.17Å; E342-V388 HydrophobicContact CG-CG1 4.14Å; E342-V388 HydrophobicContact CG-CG2 3.97Å; L385-V388 VanDerWaalsContact O-CB 3.28Å; L385-V388 WeakPolarHBondContact O-CB 3.3Å; L385-V388 WeakPolarHBondContact O-CG2 3.49Å; L385-V388 PolarHBondContact O-N 2.71Å; V388-G390 PolarHBondContact O-N 3.36Å; V388-L391 HydrophobicContact CB-CB 3.98Å; V388-L391 HydrophobicContact CB-CD2 4.17Å; V388-L391 HydrophobicContact CG1-CB 4.18Å; V388-L391 WeakPolarHBondContact O-CB 3.42Å; V388-L391 PolarHBondContact O-N 3.49Å; V388-L391 VanDerWaalsContact O-N 3.08Å
389P86.9Confident92.9Very high31 Ų3119.4 Ų19.420%0.20110%0.1CC..THydrogen-bonded Turntrans-60.6131-174.1-22.631.8000113.3L387 L391 R487 T730L387-P389 WeakPolarHBondContact O-CD 2.99Å; P389-L391 VanDerWaalsContact C-N 3.27Å; P389-L391 PolarHBondContact O-N 2.97Å; P389-R487 WeakPolarHBondContact CB-O 3.45Å; P389-R487 HydrophobicContact CG-CB 3.84Å; P389-R487 WeakPolarHBondContact CG-O 3.48Å; P389-T730 WeakPolarHBondContact CB-OG1 3.14Å
390G87.2Confident92.9Very high6 Ų619.6 Ų19.66%0.06210%0.101CC..THydrogen-bonded Turntrans83.4-16.8-177.300000115V388 A392 A393 E394 T730V388-G390 PolarHBondContact O-N 3.36Å; G390-A392 VanDerWaalsContact C-N 3.34Å; G390-A392 PolarHBondContact O-N 3.07Å; G390-A393 PolarHBondContact O-N 3.15Å; G390-A393 VanDerWaalsContact O-N 3.13Å; G390-E394 VanDerWaalsContact C-OE2 3.27Å; G390-E394 WeakPolarHBondContact O-CG 3Å; G390-E394 PolarHBondContact O-N 2.87Å; G390-T730 PolarHBondContact N-OG1 3.29Å
391L92.5Very high92.7Very high3 Ų317.6 Ų17.62%0.0169%0.091CC..Hα-helixtrans-63.8-34.8-167.1-17262.5000113.5M352 L385 V388 P389 E394 L395M352-L391 HydrophobicContact CE-CD1 3.97Å; M352-L391 HydrophobicContact CE-CD2 4.05Å; L385-L391 HydrophobicContact CB-CD2 4.13Å; L385-L391 HydrophobicContact CD2-CD2 4.11Å; L385-L391 WeakPolarHBondContact O-CD2 3.36Å; V388-L391 HydrophobicContact CB-CB 3.98Å; V388-L391 HydrophobicContact CB-CD2 4.17Å; V388-L391 HydrophobicContact CG1-CB 4.18Å; V388-L391 WeakPolarHBondContact O-CB 3.42Å; V388-L391 PolarHBondContact O-N 3.49Å; V388-L391 VanDerWaalsContact O-N 3.08Å; P389-L391 VanDerWaalsContact C-N 3.27Å; P389-L391 PolarHBondContact O-N 2.97Å; L391-E394 WeakPolarHBondContact CA-OE2 3.12Å; L391-E394 PolarHBondContact N-OE2 3.27Å; L391-E394 CarbonylContact O-C 3.51Å; L391-E394 PolarHBondContact O-N 3.18Å; L391-L395 HydrophobicContact CD1-CG 4.33Å; L391-L395 HydrophobicContact CG-CD1 4.29Å; L391-L395 HydrophobicContact CG-CG 4.22Å; L391-L395 WeakPolarHBondContact O-CB 3.41Å; L391-L395 VanDerWaalsContact O-CG 3.28Å; L391-L395 WeakPolarHBondContact O-CG 3.48Å; L391-L395 PolarHBondContact O-N 3.3Å
392A92.4Very high92.5Very high14 Ų1418.4 Ų18.412%0.1169%0.094CC..Hα-helixtrans-60.1-46.617600000112.4G390 L395 Y396 F409 V440 L737G390-A392 VanDerWaalsContact C-N 3.34Å; G390-A392 PolarHBondContact O-N 3.07Å; A392-L395 PolarHBondContact O-N 3.31Å; A392-Y396 PolarHBondContact O-N 3.42Å; A392-Y396 VanDerWaalsContact O-N 3.09Å; A392-F409 HydrophobicContact CB-CD2 4.33Å; A392-F409 HydrophobicContact CB-CE2 3.91Å; A392-V440 HydrophobicContact CB-CG1 4.39Å; A392-V440 HydrophobicContact CB-CG2 4.42Å; A392-L737 HydrophobicContact CB-CD1 4.18Å
393A91.5Very high92.1Very high4 Ų420.1 Ų20.13%0.03311%0.105CC..Hα-helixtrans-64.9-42.7174.700000111.5G390 L395 Y396 I397 A732 L737G390-A393 PolarHBondContact O-N 3.15Å; G390-A393 VanDerWaalsContact O-N 3.13Å; A393-L395 VanDerWaalsContact C-N 3.3Å; A393-L395 PolarHBondContact O-N 3.16Å; A393-Y396 PolarHBondContact O-N 3.05Å; A393-I397 WeakPolarHBondContact O-CB 3.4Å; A393-I397 WeakPolarHBondContact O-CD1 3.5Å; A393-I397 VanDerWaalsContact O-CG1 3.31Å; A393-I397 WeakPolarHBondContact O-CG1 3.25Å; A393-I397 PolarHBondContact O-N 2.98Å; A393-A732 WeakPolarHBondContact CB-O 3.5Å; A393-L737 HydrophobicContact CB-CD1 4.05Å
394E93.7Very high91.7Very high0 Ų021.7 Ų21.70%011%0.11CC..Hα-helixtrans-66.4-29.6178.5-64.5169.2117.900112.1R345 G390 L391 N398 N489 F725 H727 V728R345-E394 IonicContact CZ-OE1 3.44Å; R345-E394 IonicContact CZ-OE2 2.72Å; R345-E394 IonicContact NH1-OE1 3.74Å; R345-E394 PolarHBondContact NH1-OE1 3.22Å; R345-E394 IonicContact NH1-OE2 2.8Å; R345-E394 PolarHBondContact NH1-OE2 3.37Å; R345-E394 IonicContact NH2-OE1 3.74Å; R345-E394 IonicContact NH2-OE2 2.7Å; R345-E394 PolarHBondContact NH2-OE2 2.92Å; G390-E394 VanDerWaalsContact C-OE2 3.27Å; G390-E394 WeakPolarHBondContact O-CG 3Å; G390-E394 PolarHBondContact O-N 2.87Å; L391-E394 WeakPolarHBondContact CA-OE2 3.12Å; L391-E394 PolarHBondContact N-OE2 3.27Å; L391-E394 CarbonylContact O-C 3.51Å; L391-E394 PolarHBondContact O-N 3.18Å; E394-N398 VanDerWaalsContact O-CB 3.24Å; E394-N398 WeakPolarHBondContact O-CB 3.41Å; E394-N398 PolarHBondContact O-N 3.12Å; E394-N398 VanDerWaalsContact O-N 3.11Å; E394-N398 PolarHBondContact O-ND2 2.83Å; E394-N489 PolarHBondContact OE1-ND2 3.09Å; E394-N489 PolarHBondContact OE2-ND2 3.28Å; E394-F725 HydrophobicContact CB-CE1 4.22Å; E394-F725 HydrophobicContact CB-CZ 3.92Å; E394-F725 HydrophobicContact CG-CE1 4.46Å; E394-H727 VanDerWaalsContact OE1-CA 3.31Å; E394-H727 WeakPolarHBondContact OE1-CA 3.11Å; E394-H727 IonicContact OE1-CE1 3.55Å; E394-H727 IonicContact OE1-CG 2.76Å; E394-H727 IonicContact OE1-ND1 2.77Å; E394-H727 PolarHBondContact OE1-ND1 3.18Å; E394-V728 HydrophobicContact CG-CB 3.87Å; E394-V728 HydrophobicContact CG-CG2 4.03Å; E394-V728 PolarHBondContact OE1-N 3.44Å
395L95Very high91.5Very high2 Ų215.5 Ų15.51%0.019%0.087CC..Hα-helixtrans-69.9-47.3170.9-72.7174000111.5L356 F386 L391 A392 A393 I397 Y399 F409L356-L395 HydrophobicContact CD1-CD1 4.42Å; L356-L395 HydrophobicContact CD1-CD2 3.49Å; L356-L395 VanDerWaalsContact CD1-CD2 3.49Å; F386-L395 HydrophobicContact CE1-CD1 3.87Å; L391-L395 HydrophobicContact CD1-CG 4.33Å; L391-L395 HydrophobicContact CG-CD1 4.29Å; L391-L395 HydrophobicContact CG-CG 4.22Å; L391-L395 WeakPolarHBondContact O-CB 3.41Å; L391-L395 VanDerWaalsContact O-CG 3.28Å; L391-L395 WeakPolarHBondContact O-CG 3.48Å; L391-L395 PolarHBondContact O-N 3.3Å; A392-L395 PolarHBondContact O-N 3.31Å; A393-L395 VanDerWaalsContact C-N 3.3Å; A393-L395 PolarHBondContact O-N 3.16Å; L395-I397 VanDerWaalsContact C-N 3.33Å; L395-I397 PolarHBondContact O-N 3.31Å; L395-Y399 HydrophobicContact CD2-CD2 3.96Å; L395-Y399 HydrophobicContact CD2-CE2 3.76Å; L395-Y399 WeakPolarHBondContact O-CD2 3.25Å; L395-Y399 PolarHBondContact O-N 3.47Å; L395-Y399 VanDerWaalsContact O-N 3.13Å; L395-F409 HydrophobicContact CB-CB 4.13Å
396Y93.9Very high91.4Very high0 Ų016.4 Ų16.40%09%0.094CC..Iπ-helixtrans-59.4-42.1177.8176.2-118.2000112.7A392 A393 D400 C401 K508 D736 L737 L740A392-Y396 PolarHBondContact O-N 3.42Å; A392-Y396 VanDerWaalsContact O-N 3.09Å; A393-Y396 PolarHBondContact O-N 3.05Å; Y396-D400 HydrophobicContact CD2-CB 3.75Å; Y396-D400 HydrophobicContact CE2-CB 4.29Å; Y396-D400 WeakPolarHBondContact O-CB 3.27Å; Y396-D400 PolarHBondContact O-N 2.98Å; Y396-C401 PolarHBondContact O-N 2.91Å; Y396-C401 PolarHBondContact O-SG 2.94Å; Y396-K508 HydrophobicContact CE2-CD 4.08Å; Y396-K508 VanDerWaalsContact OH-CD 3.3Å; Y396-K508 WeakPolarHBondContact OH-CD 3.4Å; Y396-K508 PolarHBondContact OH-NZ 2.98Å; Y396-D736 HydrophobicContact CD1-CB 4.44Å; Y396-D736 HydrophobicContact CE1-CB 3.57Å; Y396-L737 HydrophobicContact CD1-CD2 4.2Å; Y396-L737 HydrophobicContact CG-CD2 3.91Å; Y396-L740 HydrophobicContact CD2-CD1 3.84Å; Y396-L740 HydrophobicContact CE2-CD1 3.67Å
397I92.9Very high91.4Very high10 Ų1017.6 Ų17.65%0.05110%0.1CC..Iπ-helixtrans-76.1-46.3-177-68.9159000112A393 L395 P499 L504 I726 V728 F733A393-I397 WeakPolarHBondContact O-CB 3.4Å; A393-I397 WeakPolarHBondContact O-CD1 3.5Å; A393-I397 VanDerWaalsContact O-CG1 3.31Å; A393-I397 WeakPolarHBondContact O-CG1 3.25Å; A393-I397 PolarHBondContact O-N 2.98Å; L395-I397 VanDerWaalsContact C-N 3.33Å; L395-I397 PolarHBondContact O-N 3.31Å; I397-P499 HydrophobicContact CG2-CG 4.41Å; I397-L504 HydrophobicContact CD1-CD1 4.41Å; I397-L504 HydrophobicContact CG1-CD1 3.82Å; I397-L504 HydrophobicContact CG1-CD2 4.25Å; I397-L504 HydrophobicContact CG2-CD2 4.23Å; I397-I726 HydrophobicContact CG2-CB 4.43Å; I397-I726 HydrophobicContact CG2-CD1 4.34Å; I397-V728 HydrophobicContact CD1-CG1 4.32Å; I397-V728 HydrophobicContact CD1-CG2 3.74Å; I397-F733 HydrophobicContact CD1-CD2 3.48Å; I397-F733 VanDerWaalsContact CD1-CD2 3.48Å; I397-F733 HydrophobicContact CD1-CE2 3.58Å; I397-F733 HydrophobicContact CD1-CG 4.33Å; I397-F733 HydrophobicContact CG1-CD2 4.4Å
398N93.3Very high91.5Very high5 Ų512.8 Ų12.83%0.0278%0.075CC..Iπ-helixtrans-84.5-12.7-171.6-66.6-72.6000114.2K349 E394 D402 F725 I726K349-N398 WeakPolarHBondContact CE-O 3.34Å; K349-N398 PolarHBondContact NZ-O 3.01Å; E394-N398 VanDerWaalsContact O-CB 3.24Å; E394-N398 WeakPolarHBondContact O-CB 3.41Å; E394-N398 PolarHBondContact O-N 3.12Å; E394-N398 VanDerWaalsContact O-N 3.11Å; E394-N398 PolarHBondContact O-ND2 2.83Å; N398-D402 WeakPolarHBondContact O-CB 3.38Å; N398-F725 HydrophobicContact CB-CD2 4.09Å; N398-F725 HydrophobicContact CB-CE2 4.16Å; N398-F725 WeakPolarHBondContact OD1-CA 3.35Å; N398-I726 PolarHBondContact ND2-O 2.94Å; N398-I726 PolarHBondContact OD1-N 3.4Å
399Y95.1Very high91.8Very high0 Ų012.2 Ų12.20%07%0.072CC..Iπ-helixtrans-129.6-59.5-178.2-50.7-91.8000111.5K349 E353 L395 C401 D402 C405 S406 L408 K511 F725K349-Y399 WeakPolarHBondContact CA-OH 3.15Å; K349-Y399 HydrophobicContact CG-CE1 3.59Å; K349-Y399 WeakPolarHBondContact O-CE1 3.46Å; K349-Y399 PolarHBondContact O-OH 2.8Å; E353-Y399 HydrophobicContact CB-CD1 4.2Å; E353-Y399 HydrophobicContact CB-CE1 3.95Å; L395-Y399 HydrophobicContact CD2-CD2 3.96Å; L395-Y399 HydrophobicContact CD2-CE2 3.76Å; L395-Y399 WeakPolarHBondContact O-CD2 3.25Å; L395-Y399 PolarHBondContact O-N 3.47Å; L395-Y399 VanDerWaalsContact O-N 3.13Å; Y399-C401 VanDerWaalsContact C-N 3.3Å; Y399-C401 PolarHBondContact O-N 3.17Å; Y399-D402 PolarHBondContact O-N 2.77Å; Y399-C405 HydrophobicContact CD1-CB 4Å; Y399-S406 CarbonylContact C-O 3.56Å; Y399-S406 WeakPolarHBondContact CB-O 2.95Å; Y399-S406 VanDerWaalsContact O-O 3.12Å; Y399-L408 HydrophobicContact CD1-CD1 3.41Å; Y399-L408 VanDerWaalsContact CD1-CD1 3.41Å; Y399-L408 HydrophobicContact CD1-CG 4.27Å; Y399-L408 HydrophobicContact CD2-CD1 3.89Å; Y399-L408 HydrophobicContact CE1-CD1 3.8Å; Y399-L408 HydrophobicContact CE2-CD1 4.25Å; Y399-L408 HydrophobicContact CG-CB 4.5Å; Y399-L408 HydrophobicContact CG-CD1 3.45Å; Y399-L408 VanDerWaalsContact CG-CD1 3.45Å; Y399-L408 HydrophobicContact CG-CG 4.06Å; Y399-K511 PolarHBondContact O-NZ 3.39Å; Y399-F725 HydrophobicContact CE2-CE2 4.19Å
400D94.2Very high92.1Very high3 Ų313.2 Ų13.22%0.0167%0.074CC..Iπ-helixtrans-62.3-36.7-177.1-59.740.6000112.4Y396 N407 L408 F409 E410 K511Y396-D400 HydrophobicContact CD2-CB 3.75Å; Y396-D400 HydrophobicContact CE2-CB 4.29Å; Y396-D400 WeakPolarHBondContact O-CB 3.27Å; Y396-D400 PolarHBondContact O-N 2.98Å; D400-N407 HydrophobicContact CB-CB 4.42Å; D400-N407 VanDerWaalsContact CG-C 3.49Å; D400-N407 WeakPolarHBondContact OD1-CA 3.47Å; D400-L408 PolarHBondContact OD1-N 3.41Å; D400-F409 PolarHBondContact OD1-N 3.37Å; D400-F409 PolarHBondContact OD2-N 2.9Å; D400-E410 WeakPolarHBondContact OD2-CB 3.26Å; D400-E410 PolarHBondContact OD2-N 3.48Å; D400-K511 WeakPolarHBondContact O-CD 3.31Å; D400-K511 PolarHBondContact O-NZ 3.33Å; D400-K511 VanDerWaalsContact O-NZ 3.1Å
401C92.1Very high92.4Very high3 Ų316 Ų162%0.029%0.087CC..THydrogen-bonded Turntrans-88.1-9.6174.9-59.20000114.4Y396 Y399 L504 S507Y396-C401 PolarHBondContact O-N 2.91Å; Y396-C401 PolarHBondContact O-SG 2.94Å; Y399-C401 VanDerWaalsContact C-N 3.3Å; Y399-C401 PolarHBondContact O-N 3.17Å; C401-L504 HydrophobicContact CB-CD2 3.94Å; C401-S507 WeakPolarHBondContact O-CB 3.06Å; C401-S507 PolarHBondContact O-OG 2.71Å
402D90.2Very high92.5Very high27 Ų2715.9 Ų15.914%0.1449%0.087CC..SBendtrans-83.7124.5177.5-178.3-48.7000110.5K349 N398 Y399 Y404 C405 K511K349-D402 IonicContact NZ-OD2 2.8Å; K349-D402 PolarHBondContact NZ-OD2 3.29Å; N398-D402 WeakPolarHBondContact O-CB 3.38Å; Y399-D402 PolarHBondContact O-N 2.77Å; D402-Y404 VanDerWaalsContact C-N 3.27Å; D402-Y404 PolarHBondContact O-N 3.24Å; D402-Y404 VanDerWaalsContact O-N 3.17Å; D402-Y404 PolarHBondContact OD1-N 2.82Å; D402-C405 HydrophobicContact CB-CB 4.15Å; D402-C405 PolarHBondContact O-N 3.19Å; D402-C405 PolarHBondContact OD1-N 3.43Å; D402-K511 VanDerWaalsContact O-CD 3.25Å; D402-K511 WeakPolarHBondContact O-CD 3.48Å; D402-K511 WeakPolarHBondContact O-CE 3.48Å; D402-K511 PolarHBondContact O-NZ 2.9Å
403P86.1Confident92.5Very high39 Ų3915.4 Ų15.425%0.2538%0.082SC..THydrogen-bonded Turntrans-58-29-175.4-2735.4000116.2L514P403-L514 HydrophobicContact CB-CD2 3.74Å
404Y87Confident92.4Very high48 Ų4820 Ų2019%0.18810%0.101CC..THydrogen-bonded Turntrans-1112.6-171.3-60.9-53.2000114.4D402 L514 N554 R717D402-Y404 VanDerWaalsContact C-N 3.27Å; D402-Y404 PolarHBondContact O-N 3.24Å; D402-Y404 VanDerWaalsContact O-N 3.17Å; D402-Y404 PolarHBondContact OD1-N 2.82Å; Y404-L514 HydrophobicContact CD1-CD2 4.25Å; Y404-L514 HydrophobicContact CE1-CD2 3.81Å; Y404-N554 HydrophobicContact CE1-CB 3.92Å; Y404-R717 PolarHBondContact O-NH1 3.22Å
405C90.9Very high92.4Very high3 Ų320.3 Ų20.32%0.0210%0.103CC..SBendtrans-101.4170.3169.1-80.10000112.7E353 Y399 D402 K511E353-C405 WeakPolarHBondContact OE1-CA 3.46Å; E353-C405 PolarHBondContact OE2-SG 3.42Å; Y399-C405 HydrophobicContact CD1-CB 4Å; D402-C405 HydrophobicContact CB-CB 4.15Å; D402-C405 PolarHBondContact O-N 3.19Å; D402-C405 PolarHBondContact OD1-N 3.43Å; C405-K511 WeakPolarHBondContact O-CE 3.45Å; C405-K511 PolarHBondContact O-NZ 2.89Å
406S90.9Very high92.3Very high22 Ų2220.2 Ų20.215%0.15410%0.103CC..  trans-73.1167.7174.7-50.60000111.8E353 Q357 Y399 L408 K511E353-S406 WeakPolarHBondContact OE1-CB 3.48Å; E353-S406 PolarHBondContact OE1-N 2.9Å; E353-S406 PolarHBondContact OE1-OG 3.03Å; Q357-S406 PolarHBondContact NE2-OG 3.23Å; Y399-S406 CarbonylContact C-O 3.56Å; Y399-S406 WeakPolarHBondContact CB-O 2.95Å; Y399-S406 VanDerWaalsContact O-O 3.12Å; S406-L408 VanDerWaalsContact C-N 3.29Å; S406-L408 PolarHBondContact O-N 3.36Å; S406-K511 PolarHBondContact O-NZ 3.4Å
407N92.6Very high92Very high33 Ų3320.6 Ų20.618%0.17611%0.106CC..  trans-9264.9174-67.915.1000109.1D400 F409 E410 D411 K511D400-N407 HydrophobicContact CB-CB 4.42Å; D400-N407 VanDerWaalsContact CG-C 3.49Å; D400-N407 WeakPolarHBondContact OD1-CA 3.47Å; N407-F409 VanDerWaalsContact C-N 3.31Å; N407-F409 PolarHBondContact O-N 3.45Å; N407-E410 HydrophobicContact CB-CB 3.93Å; N407-E410 PolarHBondContact ND2-OE2 2.91Å; N407-E410 PolarHBondContact O-N 2.79Å; N407-D411 WeakPolarHBondContact O-CB 3.42Å; N407-D411 PolarHBondContact O-N 2.83Å; N407-K511 VanDerWaalsContact OD1-CE 3.28Å; N407-K511 WeakPolarHBondContact OD1-CE 3.24Å; N407-K511 PolarHBondContact OD1-NZ 2.91Å
408L94.3Very high91.7Very high4 Ų424.9 Ų24.92%0.02112%0.124CC..Hα-helixtrans-57.6-39.1-169.1-63.4-179.4000113.5E353 L356 Q357 Y399 D400 S406 I412E353-L408 HydrophobicContact CB-CD1 4.1Å; E353-L408 HydrophobicContact CG-CD1 4.23Å; E353-L408 HydrophobicContact CG-CD2 4.33Å; L356-L408 HydrophobicContact CB-CD1 4.38Å; L356-L408 HydrophobicContact CB-CD2 4.3Å; L356-L408 HydrophobicContact CD1-CD1 3.96Å; Q357-L408 HydrophobicContact CG-CD2 4.14Å; Y399-L408 HydrophobicContact CD1-CD1 3.41Å; Y399-L408 VanDerWaalsContact CD1-CD1 3.41Å; Y399-L408 HydrophobicContact CD1-CG 4.27Å; Y399-L408 HydrophobicContact CD2-CD1 3.89Å; Y399-L408 HydrophobicContact CE1-CD1 3.8Å; Y399-L408 HydrophobicContact CE2-CD1 4.25Å; Y399-L408 HydrophobicContact CG-CB 4.5Å; Y399-L408 HydrophobicContact CG-CD1 3.45Å; Y399-L408 VanDerWaalsContact CG-CD1 3.45Å; Y399-L408 HydrophobicContact CG-CG 4.06Å; D400-L408 PolarHBondContact OD1-N 3.41Å; S406-L408 VanDerWaalsContact C-N 3.29Å; S406-L408 PolarHBondContact O-N 3.36Å; L408-I412 VanDerWaalsContact O-CB 3.22Å; L408-I412 WeakPolarHBondContact O-CB 3.31Å; L408-I412 VanDerWaalsContact O-CD1 3.27Å; L408-I412 WeakPolarHBondContact O-CD1 3.47Å; L408-I412 WeakPolarHBondContact O-CG1 3.35Å; L408-I412 PolarHBondContact O-N 2.88Å
409F95Very high91.5Very high0 Ų025.7 Ų25.70%013%0.128CC..Hα-helixtrans-70.1-47178.4179.1-102000111.3F386 A392 L395 D400 N407 T413 V440 L737 L740 I741F386-F409 HydrophobicContact CZ-CD2 4.29Å; F386-F409 HydrophobicContact CZ-CE2 4.38Å; A392-F409 HydrophobicContact CB-CD2 4.33Å; A392-F409 HydrophobicContact CB-CE2 3.91Å; L395-F409 HydrophobicContact CB-CB 4.13Å; D400-F409 PolarHBondContact OD1-N 3.37Å; D400-F409 PolarHBondContact OD2-N 2.9Å; N407-F409 VanDerWaalsContact C-N 3.31Å; N407-F409 PolarHBondContact O-N 3.45Å; F409-T413 VanDerWaalsContact O-CB 3.23Å; F409-T413 WeakPolarHBondContact O-CB 3.32Å; F409-T413 PolarHBondContact O-N 2.66Å; F409-T413 PolarHBondContact O-OG1 2.99Å; F409-V440 HydrophobicContact CE2-CG1 4.45Å; F409-V440 HydrophobicContact CE2-CG2 4.48Å; F409-V440 HydrophobicContact CZ-CG1 4.32Å; F409-L737 HydrophobicContact CD1-CD2 3.92Å; F409-L737 HydrophobicContact CD2-CD2 4.47Å; F409-L737 HydrophobicContact CE1-CB 4.35Å; F409-L737 HydrophobicContact CE1-CD2 3.65Å; F409-L737 HydrophobicContact CE2-CD2 4.24Å; F409-L737 HydrophobicContact CG-CD2 4.33Å; F409-L737 HydrophobicContact CZ-CB 4.31Å; F409-L737 HydrophobicContact CZ-CD2 3.83Å; F409-L740 HydrophobicContact CD1-CD1 3.98Å; F409-L740 HydrophobicContact CE1-CB 4.16Å; F409-L740 HydrophobicContact CE1-CD1 4.21Å; F409-I741 HydrophobicContact CZ-CD1 4.25Å
410E93.2Very high91.1Very high52 Ų5225.7 Ų25.724%0.24313%0.128CC..Hα-helixtrans-61.9-43.8176.7-158.8-165.2154.600112.4D400 N407 T413 K414 L740D400-E410 WeakPolarHBondContact OD2-CB 3.26Å; D400-E410 PolarHBondContact OD2-N 3.48Å; N407-E410 HydrophobicContact CB-CB 3.93Å; N407-E410 PolarHBondContact ND2-OE2 2.91Å; N407-E410 PolarHBondContact O-N 2.79Å; E410-T413 PolarHBondContact O-N 3.02Å; E410-K414 VanDerWaalsContact O-CG 3.28Å; E410-K414 WeakPolarHBondContact O-CG 3.4Å; E410-K414 PolarHBondContact O-N 2.92Å; E410-K414 WeakPolarHBondContact OE1-CE 3.46Å; E410-K414 IonicContact OE1-NZ 3.82Å; E410-K414 PolarHBondContact OE1-NZ 3.3Å; E410-K414 IonicContact OE2-NZ 3.93Å; E410-L740 HydrophobicContact CG-CD2 4.39Å
411D93.4Very high90.4Very high63 Ų6329 Ų2934%0.33714%0.143SC..Hα-helixtrans-74-39.4-176.1-66.4-28.6000111.9N407 T413 K414 M415N407-D411 WeakPolarHBondContact O-CB 3.42Å; N407-D411 PolarHBondContact O-N 2.83Å; D411-T413 VanDerWaalsContact C-N 3.35Å; D411-K414 IonicContact OD1-NZ 3.69Å; D411-K414 PolarHBondContact OD1-NZ 2.89Å; D411-M415 WeakPolarHBondContact O-CB 3.48Å; D411-M415 PolarHBondContact O-N 3.06Å
412I94.8Very high89.3Confident2 Ų229.2 Ų29.21%0.0114%0.144CC..Hα-helixtrans-62.5-44.4168.9-68.6166.2000109.7L356 V382 F386 L408 K414 M415 L416L356-I412 HydrophobicContact CB-CD1 4.24Å; L356-I412 HydrophobicContact CD1-CD1 4.33Å; L356-I412 HydrophobicContact CD2-CD1 4Å; L356-I412 HydrophobicContact CG-CD1 4.42Å; V382-I412 HydrophobicContact CG1-CG2 3.92Å; F386-I412 HydrophobicContact CE1-CG2 4.21Å; F386-I412 HydrophobicContact CE2-CG2 4.01Å; F386-I412 HydrophobicContact CZ-CB 4.23Å; F386-I412 HydrophobicContact CZ-CG2 3.46Å; F386-I412 VanDerWaalsContact CZ-CG2 3.46Å; L408-I412 VanDerWaalsContact O-CB 3.22Å; L408-I412 WeakPolarHBondContact O-CB 3.31Å; L408-I412 VanDerWaalsContact O-CD1 3.27Å; L408-I412 WeakPolarHBondContact O-CD1 3.47Å; L408-I412 WeakPolarHBondContact O-CG1 3.35Å; L408-I412 PolarHBondContact O-N 2.88Å; I412-K414 PolarHBondContact O-N 3.09Å; I412-M415 HydrophobicContact CB-CE 4.45Å; I412-M415 HydrophobicContact CG2-CE 3.94Å; I412-M415 PolarHBondContact O-N 3.09Å; I412-M415 VanDerWaalsContact O-N 3.15Å; I412-L416 HydrophobicContact CG2-CD1 3.79Å; I412-L416 HydrophobicContact CG2-CG 4.07Å; I412-L416 WeakPolarHBondContact O-CB 3.33Å; I412-L416 VanDerWaalsContact O-CG 3.28Å; I412-L416 WeakPolarHBondContact O-CG 3.11Å; I412-L416 PolarHBondContact O-N 2.87Å
413T91.9Very high88.3Confident3 Ų334.6 Ų34.62%0.01818%0.177CC..Hα-helixtrans-61.3-42.8179.8-63.50000112.2F409 E410 D411 L416 A417 L437 I741 P744F409-T413 VanDerWaalsContact O-CB 3.23Å; F409-T413 WeakPolarHBondContact O-CB 3.32Å; F409-T413 PolarHBondContact O-N 2.66Å; F409-T413 PolarHBondContact O-OG1 2.99Å; E410-T413 PolarHBondContact O-N 3.02Å; D411-T413 VanDerWaalsContact C-N 3.35Å; T413-L416 PolarHBondContact O-N 3.33Å; T413-A417 WeakPolarHBondContact O-CB 3.41Å; T413-A417 PolarHBondContact O-N 3.4Å; T413-L437 HydrophobicContact CG2-CD2 4.1Å; T413-I741 HydrophobicContact CG2-CB 4.14Å; T413-I741 HydrophobicContact CG2-CD1 4.32Å; T413-I741 HydrophobicContact CG2-CG1 3.78Å; T413-P744 HydrophobicContact CG2-CB 4.38Å; T413-P744 HydrophobicContact CG2-CG 4.34Å
414K90.9Very high87.5Confident100 Ų10039.5 Ų39.544%0.43521%0.206SC..Hα-helixtrans-62.8-42.2172.4-70.9163.3-172.9156.40112.4E410 D411 I412 A417 K418E410-K414 VanDerWaalsContact O-CG 3.28Å; E410-K414 WeakPolarHBondContact O-CG 3.4Å; E410-K414 PolarHBondContact O-N 2.92Å; E410-K414 WeakPolarHBondContact OE1-CE 3.46Å; E410-K414 IonicContact OE1-NZ 3.82Å; E410-K414 PolarHBondContact OE1-NZ 3.3Å; E410-K414 IonicContact OE2-NZ 3.93Å; D411-K414 IonicContact OD1-NZ 3.69Å; D411-K414 PolarHBondContact OD1-NZ 2.89Å; I412-K414 PolarHBondContact O-N 3.09Å; K414-A417 PolarHBondContact O-N 2.9Å; K414-K418 PolarHBondContact O-N 3.17Å
415M92.3Very high86.9Confident8 Ų847 Ų474%0.03923%0.234CC..Hα-helixtrans-65.2-43.9178.1170.5-81.2-61.500111.7T360 I363 S364 L379 D411 I412 A417 K418 N419T360-M415 HydrophobicContact CG2-CB 3.92Å; T360-M415 HydrophobicContact CG2-CG 3.98Å; I363-M415 HydrophobicContact CB-CG 4.5Å; I363-M415 HydrophobicContact CB-SD 3.84Å; I363-M415 HydrophobicContact CD1-CE 3.92Å; I363-M415 HydrophobicContact CD1-SD 4.01Å; I363-M415 HydrophobicContact CG2-CG 4.39Å; I363-M415 HydrophobicContact CG2-SD 3.48Å; I363-M415 WeakPolarHBondContact CG2-SD 3.41Å; S364-M415 WeakPolarHBondContact OG-CG 3.26Å; L379-M415 HydrophobicContact CD2-SD 4.47Å; D411-M415 WeakPolarHBondContact O-CB 3.48Å; D411-M415 PolarHBondContact O-N 3.06Å; I412-M415 HydrophobicContact CB-CE 4.45Å; I412-M415 HydrophobicContact CG2-CE 3.94Å; I412-M415 PolarHBondContact O-N 3.09Å; I412-M415 VanDerWaalsContact O-N 3.15Å; M415-A417 VanDerWaalsContact C-N 3.34Å; M415-K418 PolarHBondContact O-N 3.45Å; M415-N419 WeakPolarHBondContact O-CB 3.42Å; M415-N419 PolarHBondContact O-N 2.94Å; M415-N419 PolarHBondContact O-ND2 3.43Å
416L92.9Very high86.4Confident0 Ų048.8 Ų48.80%024%0.243CC..Hα-helixtrans-60.1-45.6174-71173000110.5L379 V382 F386 I412 T413 N419 A420 A433 A436 L437L379-L416 HydrophobicContact CD2-CD2 3.64Å; V382-L416 HydrophobicContact CG1-CD1 4.27Å; V382-L416 HydrophobicContact CG1-CD2 4.1Å; F386-L416 HydrophobicContact CD2-CD1 4.21Å; F386-L416 HydrophobicContact CE2-CD1 3.62Å; F386-L416 HydrophobicContact CZ-CD1 4.43Å; I412-L416 HydrophobicContact CG2-CD1 3.79Å; I412-L416 HydrophobicContact CG2-CG 4.07Å; I412-L416 WeakPolarHBondContact O-CB 3.33Å; I412-L416 VanDerWaalsContact O-CG 3.28Å; I412-L416 WeakPolarHBondContact O-CG 3.11Å; I412-L416 PolarHBondContact O-N 2.87Å; T413-L416 PolarHBondContact O-N 3.33Å; L416-N419 CarbonylContact O-C 3.59Å; L416-N419 PolarHBondContact O-N 2.85Å; L416-N419 VanDerWaalsContact O-N 3.16Å; L416-A420 WeakPolarHBondContact O-CB 3.44Å; L416-A420 PolarHBondContact O-N 2.94Å; L416-A433 HydrophobicContact CD2-CB 4.4Å; L416-A436 HydrophobicContact CD1-CB 3.6Å; L416-A436 HydrophobicContact CD2-CB 3.7Å; L416-A436 HydrophobicContact CG-CB 4.29Å; L416-L437 HydrophobicContact CB-CD1 4.4Å; L416-L437 HydrophobicContact CB-CD2 3.91Å; L416-L437 HydrophobicContact CB-CG 4.05Å; L416-L437 HydrophobicContact CD1-CD2 4.01Å; L416-L437 HydrophobicContact CD1-CG 4.37Å
417A87.8Confident86.1Confident8 Ų852 Ų527%0.06626%0.257CS..Hα-helixtrans-60.6-49.2175.400000112.4T413 K414 M415 N419 A420 F421 P744T413-A417 WeakPolarHBondContact O-CB 3.41Å; T413-A417 PolarHBondContact O-N 3.4Å; K414-A417 PolarHBondContact O-N 2.9Å; M415-A417 VanDerWaalsContact C-N 3.34Å; A417-N419 PolarHBondContact O-N 3.23Å; A417-A420 PolarHBondContact O-N 2.96Å; A417-F421 WeakPolarHBondContact O-CD2 3.43Å; A417-F421 WeakPolarHBondContact O-CE2 3.49Å; A417-P744 HydrophobicContact CB-CB 3.59Å
418K87.4Confident85.8Confident100 Ų10051.6 Ų51.644%0.43526%0.261SS..Hα-helixtrans-51.8-44.2173.1-172.1-160.3173.7-161.40110.5D366 K414 M415 A420 F421D366-K418 VanDerWaalsContact CG-NZ 3.27Å; D366-K418 IonicContact OD1-NZ 2.8Å; D366-K418 PolarHBondContact OD1-NZ 3.36Å; D366-K418 IonicContact OD2-NZ 3.67Å; D366-K418 PolarHBondContact OD2-NZ 3.46Å; K414-K418 PolarHBondContact O-N 3.17Å; M415-K418 PolarHBondContact O-N 3.45Å; K418-A420 VanDerWaalsContact C-N 3.32Å; K418-A420 PolarHBondContact O-N 3.07Å; K418-F421 PolarHBondContact O-N 3.31Å
419N88.9Confident85.6Confident21 Ų2152 Ų5211%0.11226%0.264CS..Hα-helixtrans-77.5-9.7-178.9-78.4-86.9000114.4M415 L416 A417 H430 A433M415-N419 WeakPolarHBondContact O-CB 3.42Å; M415-N419 PolarHBondContact O-N 2.94Å; M415-N419 PolarHBondContact O-ND2 3.43Å; L416-N419 CarbonylContact O-C 3.59Å; L416-N419 PolarHBondContact O-N 2.85Å; L416-N419 VanDerWaalsContact O-N 3.16Å; A417-N419 PolarHBondContact O-N 3.23Å; N419-H430 WeakPolarHBondContact O-CA 3.46Å; N419-H430 PolarHBondContact O-ND1 3.33Å; N419-A433 HydrophobicContact CB-CB 3.88Å
420A86Confident85.4Confident0 Ų053.2 Ų53.20%027%0.269CS..THydrogen-bonded Turntrans-89.5-1.3174.500000113.5L416 A417 K418 P422 A433 A748 I752L416-A420 WeakPolarHBondContact O-CB 3.44Å; L416-A420 PolarHBondContact O-N 2.94Å; A417-A420 PolarHBondContact O-N 2.96Å; K418-A420 VanDerWaalsContact C-N 3.32Å; K418-A420 PolarHBondContact O-N 3.07Å; A420-P422 WeakPolarHBondContact O-CD 3.39Å; A420-A433 HydrophobicContact CB-CB 4.19Å; A420-A748 HydrophobicContact CB-CB 3.6Å; A420-I752 HydrophobicContact CB-CD1 4.37Å
421F80.8Confident85.3Confident73 Ų7353 Ų5332%0.3227%0.269SS..SBendtrans-100.394.5176.3-62.9-72.5000112.8A417 K418 V423 F751A417-F421 WeakPolarHBondContact O-CD2 3.43Å; A417-F421 WeakPolarHBondContact O-CE2 3.49Å; K418-F421 PolarHBondContact O-N 3.31Å; F421-V423 PolarHBondContact O-N 2.94Å; F421-F751 HydrophobicContact CD1-CB 3.63Å; F421-F751 HydrophobicContact CD1-CD1 4.15Å; F421-F751 AromaticContact CD1-CD2 3.95Å; F421-F751 HydrophobicContact CD1-CD2 3.95Å; F421-F751 AromaticContact CD1-CG 3.64Å; F421-F751 HydrophobicContact CD1-CG 3.64Å; F421-F751 HydrophobicContact CE1-CB 3.8Å; F421-F751 HydrophobicContact CE1-CG 4.27Å
422P68.9Low85.2Confident7 Ų751.6 Ų51.65%0.04526%0.262CS..  trans-63.5122.7172.74.7-12.8000114.3A420 R425 L426 H430 F751A420-P422 WeakPolarHBondContact O-CD 3.39Å; P422-R425 WeakPolarHBondContact CB-O 3.23Å; P422-L426 HydrophobicContact CB-CD1 4.42Å; P422-L426 HydrophobicContact CG-CD1 3.55Å; P422-L426 HydrophobicContact CG-CG 4.07Å; P422-H430 WeakPolarHBondContact CA-NE2 3.49Å; P422-H430 VanDerWaalsContact CB-CD2 3.49Å; P422-H430 WeakPolarHBondContact CB-CD2 3.49Å; P422-H430 HydrophobicContact CG-CB 4.3Å; P422-F751 HydrophobicContact CB-CE1 4.36Å; P422-F751 HydrophobicContact CG-CD1 4.22Å; P422-F751 HydrophobicContact CG-CE1 3.83Å; P422-F751 WeakPolarHBondContact O-CE1 3.31Å; P422-F751 WeakPolarHBondContact O-CZ 3.34Å
423V67.5Low85.2Confident140 Ų14051.5 Ų51.585%0.84826%0.261SS*.SBendtrans-74.1-29.6176.9-176.50000112.5F421F421-V423 PolarHBondContact O-N 2.94Å
424V70.1Confident85.2Confident143 Ų14351.4 Ų51.487%0.86726%0.261SS*.SBendtrans-135.4-48.1-173.7-175.50000113.6
425R74.6Confident85.3Confident204 Ų20448.7 Ų48.777%0.7725%0.251SS*.SBendtrans-147.2147.9-178.4-169.5-170.9-72.2-172.2-2.5108.9P422P422-R425 WeakPolarHBondContact CB-O 3.23Å
426L80.1Confident85.4Confident41 Ų4148.3 Ų48.322%0.21525%0.249CC..  trans-58.2143.2165-101.879.6000110.7P422 L431 I752 K755 V761P422-L426 HydrophobicContact CB-CD1 4.42Å; P422-L426 HydrophobicContact CG-CD1 3.55Å; P422-L426 HydrophobicContact CG-CG 4.07Å; L426-L431 HydrophobicContact CD2-CD2 3.84Å; L426-L431 HydrophobicContact CD2-CG 4.29Å; L426-I752 HydrophobicContact CD2-CG2 4.44Å; L426-K755 HydrophobicContact CD1-CB 4.41Å; L426-V761 HydrophobicContact CD2-CG1 3.98Å
427M84.4Confident85.5Confident90 Ų9048.3 Ų48.344%0.44325%0.249SC..  trans-141.3164.2179.7-59.4-164.977.200107.9Y372 T429 H430 L431Y372-M427 HydrophobicContact CD2-CE 3.76Å; Y372-M427 HydrophobicContact CD2-SD 4.37Å; Y372-M427 HydrophobicContact CE2-CB 4.03Å; Y372-M427 HydrophobicContact CE2-CE 3.37Å; Y372-M427 HydrophobicContact CE2-SD 3.88Å; M427-T429 VanDerWaalsContact C-N 3.26Å; M427-T429 PolarHBondContact O-N 3.2Å; M427-H430 PolarHBondContact N-CD2 3.49Å; M427-H430 PolarHBondContact O-N 2.69Å; M427-H430 VanDerWaalsContact O-N 3.07Å; M427-L431 PolarHBondContact O-N 3.18Å
428G86.5Confident85.7Confident25 Ų2548.5 Ų48.526%0.25825%0.249SC..Hα-helixtrans-57.9-38.1179.800000112.8Y372 E376 H430 L431 L432Y372-G428 WeakPolarHBondContact OH-CA 3.3Å; Y372-G428 PolarHBondContact OH-N 2.92Å; E376-G428 WeakPolarHBondContact OE1-CA 3.45Å; G428-H430 VanDerWaalsContact C-N 3.34Å; G428-H430 PolarHBondContact O-N 2.9Å; G428-L431 PolarHBondContact O-N 2.93Å; G428-L431 VanDerWaalsContact O-N 3.13Å; G428-L432 WeakPolarHBondContact O-CG 3.47Å; G428-L432 PolarHBondContact O-N 2.77Å
429T89.7Confident86Confident12 Ų1244.1 Ų44.17%0.07423%0.231CC..Hα-helixtrans-53.6-45172510000113.3Y372 R375 E376 L379 M427 L431 L432 A433Y372-T429 HydrophobicContact CD2-CG2 4.18Å; Y372-T429 HydrophobicContact CE2-CG2 3.53Å; Y372-T429 PolarHBondContact OH-N 3.23Å; R375-T429 HydrophobicContact CB-CG2 4.47Å; E376-T429 HydrophobicContact CB-CG2 4.06Å; E376-T429 HydrophobicContact CG-CG2 4.49Å; L379-T429 HydrophobicContact CD1-CG2 3.95Å; M427-T429 VanDerWaalsContact C-N 3.26Å; M427-T429 PolarHBondContact O-N 3.2Å; T429-L431 VanDerWaalsContact C-N 3.33Å; T429-L431 PolarHBondContact O-N 3.26Å; T429-L432 PolarHBondContact O-N 3.23Å; T429-A433 VanDerWaalsContact O-CB 3.26Å; T429-A433 WeakPolarHBondContact O-CB 3.43Å; T429-A433 PolarHBondContact O-N 3.06Å
430H90.7Very high86.1Confident26 Ų2643.3 Ų43.312%0.1223%0.227CC..Hα-helixtrans-66.9-33.8179.4-59.4-50000112.5N419 P422 M427 G428 L434N419-H430 WeakPolarHBondContact O-CA 3.46Å; N419-H430 PolarHBondContact O-ND1 3.33Å; P422-H430 WeakPolarHBondContact CA-NE2 3.49Å; P422-H430 VanDerWaalsContact CB-CD2 3.49Å; P422-H430 WeakPolarHBondContact CB-CD2 3.49Å; P422-H430 HydrophobicContact CG-CB 4.3Å; M427-H430 PolarHBondContact N-CD2 3.49Å; M427-H430 PolarHBondContact O-N 2.69Å; M427-H430 VanDerWaalsContact O-N 3.07Å; G428-H430 VanDerWaalsContact C-N 3.34Å; G428-H430 PolarHBondContact O-N 2.9Å; H430-L434 PolarHBondContact O-N 2.8Å
431L90.9Very high86.5Confident47 Ų4743.3 Ų43.325%0.24623%0.227CC..Hα-helixtrans-76-41.8176.3-68.5174.6000112.3L426 M427 G428 T429 A433 L434 D435 V761L426-L431 HydrophobicContact CD2-CD2 3.84Å; L426-L431 HydrophobicContact CD2-CG 4.29Å; M427-L431 PolarHBondContact O-N 3.18Å; G428-L431 PolarHBondContact O-N 2.93Å; G428-L431 VanDerWaalsContact O-N 3.13Å; T429-L431 VanDerWaalsContact C-N 3.33Å; T429-L431 PolarHBondContact O-N 3.26Å; L431-A433 VanDerWaalsContact C-N 3.33Å; L431-A433 PolarHBondContact O-N 3.42Å; L431-L434 PolarHBondContact O-N 3.22Å; L431-D435 WeakPolarHBondContact O-CB 3.3Å; L431-D435 PolarHBondContact O-N 3.47Å; L431-V761 HydrophobicContact CD2-CG1 3.77Å; L431-V761 HydrophobicContact CD2-CG2 4.04Å
432L93.2Very high86.9Confident34 Ų3441.7 Ų41.718%0.17822%0.222CC..Hα-helixtrans-64.5-37.7174.9-69.4169.7000111.9E376 L379 D380 V383 G428 T429 L434 D435 A436E376-L432 HydrophobicContact CG-CD1 3.65Å; E376-L432 WeakPolarHBondContact O-CD1 3.45Å; L379-L432 HydrophobicContact CB-CB 3.96Å; L379-L432 HydrophobicContact CB-CD1 4.27Å; D380-L432 HydrophobicContact CB-CD1 4.19Å; D380-L432 HydrophobicContact CB-CD2 4.27Å; V383-L432 HydrophobicContact CG2-CB 4.41Å; V383-L432 HydrophobicContact CG2-CD2 4.36Å; V383-L432 VanDerWaalsContact CG2-O 3.29Å; V383-L432 WeakPolarHBondContact CG2-O 3.33Å; G428-L432 WeakPolarHBondContact O-CG 3.47Å; G428-L432 PolarHBondContact O-N 2.77Å; T429-L432 PolarHBondContact O-N 3.23Å; L432-L434 VanDerWaalsContact C-N 3.35Å; L432-D435 PolarHBondContact O-N 2.77Å; L432-A436 PolarHBondContact O-N 3.24Å
433A93.7Very high87.9Confident0 Ų043 Ų430%023%0.229CC..Hα-helixtrans-63-41.1174.700000111.9L379 L416 N419 A420 T429 L431 L437L379-A433 HydrophobicContact CD2-CB 4.1Å; L416-A433 HydrophobicContact CD2-CB 4.4Å; N419-A433 HydrophobicContact CB-CB 3.88Å; A420-A433 HydrophobicContact CB-CB 4.19Å; T429-A433 VanDerWaalsContact O-CB 3.26Å; T429-A433 WeakPolarHBondContact O-CB 3.43Å; T429-A433 PolarHBondContact O-N 3.06Å; L431-A433 VanDerWaalsContact C-N 3.33Å; L431-A433 PolarHBondContact O-N 3.42Å; A433-L437 WeakPolarHBondContact O-CG 3.42Å; A433-L437 PolarHBondContact O-N 3.38Å
434L92.3Very high89Confident0 Ų036.4 Ų36.40%019%0.19CC..Hα-helixtrans-65.5-43.4170.8178.864.9000111.9H430 L431 L432 A436 L437 L438 L749 I752 K764H430-L434 PolarHBondContact O-N 2.8Å; L431-L434 PolarHBondContact O-N 3.22Å; L432-L434 VanDerWaalsContact C-N 3.35Å; L434-A436 VanDerWaalsContact C-N 3.29Å; L434-A436 PolarHBondContact O-N 2.91Å; L434-L437 WeakPolarHBondContact O-CB 3.36Å; L434-L437 PolarHBondContact O-N 3.13Å; L434-L437 VanDerWaalsContact O-N 3.12Å; L434-L438 HydrophobicContact CD1-CD1 4.18Å; L434-L438 HydrophobicContact CD1-CG 4.04Å; L434-L438 HydrophobicContact CD2-CD1 4.12Å; L434-L438 HydrophobicContact CG-CD1 3.78Å; L434-L438 HydrophobicContact CG-CG 4.07Å; L434-L438 WeakPolarHBondContact O-CG 3.49Å; L434-L438 PolarHBondContact O-N 2.86Å; L434-L749 HydrophobicContact CD1-CD2 3.78Å; L434-L749 HydrophobicContact CD1-CG 4.14Å; L434-L749 HydrophobicContact CD2-CD2 4.42Å; L434-I752 HydrophobicContact CB-CD1 3.92Å; L434-I752 HydrophobicContact CD1-CD1 4.45Å; L434-I752 HydrophobicContact CD2-CD1 3.79Å; L434-I752 HydrophobicContact CD2-CG2 4.44Å; L434-I752 HydrophobicContact CG-CD1 4.25Å; L434-K764 HydrophobicContact CD2-CD 4.23Å; L434-K764 HydrophobicContact CD2-CG 4.38Å
435D93.6Very high90Very high44 Ų4431.7 Ų31.724%0.23516%0.158CC..Hα-helixtrans-64.6-31.2-178.1-79.6-29.5000113V383 L431 L432 A439 K764V383-D435 HydrophobicContact CG2-CB 4.42Å; L431-D435 WeakPolarHBondContact O-CB 3.3Å; L431-D435 PolarHBondContact O-N 3.47Å; L432-D435 PolarHBondContact O-N 2.77Å; D435-A439 WeakPolarHBondContact O-CB 3.25Å; D435-A439 PolarHBondContact O-N 3.19Å; D435-K764 WeakPolarHBondContact OD1-CD 3.46Å; D435-K764 WeakPolarHBondContact OD1-CE 3.33Å; D435-K764 IonicContact OD1-NZ 2.79Å; D435-K764 PolarHBondContact OD1-NZ 3.34Å; D435-K764 IonicContact OD2-NZ 3.59Å; D435-K764 PolarHBondContact OD2-NZ 3.42Å
436A93.8Very high90.5Very high0 Ų023.6 Ų23.60%013%0.131CC..Hα-helixtrans-65.4-44.5171.200000111.8V382 V383 F386 L416 L432 L434 A439 V440V382-A436 HydrophobicContact CG1-CB 4.4Å; V383-A436 HydrophobicContact CG2-CB 3.86Å; F386-A436 HydrophobicContact CD2-CB 4.24Å; L416-A436 HydrophobicContact CD1-CB 3.6Å; L416-A436 HydrophobicContact CD2-CB 3.7Å; L416-A436 HydrophobicContact CG-CB 4.29Å; L432-A436 PolarHBondContact O-N 3.24Å; L434-A436 VanDerWaalsContact C-N 3.29Å; L434-A436 PolarHBondContact O-N 2.91Å; A436-A439 PolarHBondContact O-N 3.05Å; A436-V440 PolarHBondContact O-N 2.88Å
437L94.3Very high90.5Very high0 Ų024.3 Ų24.30%013%0.133CC..Hα-helixtrans-63.5-43.5175.5-62.2171.3000111.1T413 L416 A433 L434 A439 V440 L441 I741 T745 A748T413-L437 HydrophobicContact CG2-CD2 4.1Å; L416-L437 HydrophobicContact CB-CD1 4.4Å; L416-L437 HydrophobicContact CB-CD2 3.91Å; L416-L437 HydrophobicContact CB-CG 4.05Å; L416-L437 HydrophobicContact CD1-CD2 4.01Å; L416-L437 HydrophobicContact CD1-CG 4.37Å; A433-L437 WeakPolarHBondContact O-CG 3.42Å; A433-L437 PolarHBondContact O-N 3.38Å; L434-L437 WeakPolarHBondContact O-CB 3.36Å; L434-L437 PolarHBondContact O-N 3.13Å; L434-L437 VanDerWaalsContact O-N 3.12Å; L437-A439 VanDerWaalsContact C-N 3.33Å; L437-A439 PolarHBondContact O-N 2.61Å; L437-V440 PolarHBondContact O-N 3.39Å; L437-L441 PolarHBondContact O-N 2.99Å; L437-L441 VanDerWaalsContact O-N 3.16Å; L437-I741 HydrophobicContact CD2-CD1 3.86Å; L437-I741 HydrophobicContact CD2-CG1 3.9Å; L437-T745 HydrophobicContact CB-CG2 3.9Å; L437-T745 HydrophobicContact CD1-CG2 4.34Å; L437-A748 HydrophobicContact CD1-CB 4.41Å
438L92.9Very high90.4Very high12 Ų1220.2 Ų20.26%0.06311%0.114CC..Hα-helixtrans-67.6-27.8177.1-68.6179.9000113.3L434 L441 N442 L749 K764L434-L438 HydrophobicContact CD1-CD1 4.18Å; L434-L438 HydrophobicContact CD1-CG 4.04Å; L434-L438 HydrophobicContact CD2-CD1 4.12Å; L434-L438 HydrophobicContact CG-CD1 3.78Å; L434-L438 HydrophobicContact CG-CG 4.07Å; L434-L438 WeakPolarHBondContact O-CG 3.49Å; L434-L438 PolarHBondContact O-N 2.86Å; L438-L441 HydrophobicContact CD2-CD1 4.38Å; L438-N442 WeakPolarHBondContact O-CB 3.29Å; L438-N442 PolarHBondContact O-N 3.42Å; L438-L749 HydrophobicContact CD2-CD2 4.44Å; L438-K764 HydrophobicContact CD1-CD 4Å; L438-K764 HydrophobicContact CD1-CG 3.56Å
439A92.4Very high89.3Confident8 Ų821.1 Ų21.17%0.06612%0.123CC..Hα-helixtrans-65.5-39.4174.300000112.1F386 L387 D435 A436 L437 T443F386-A439 HydrophobicContact CB-CB 4.46Å; L387-A439 HydrophobicContact CD2-CB 3.91Å; L387-A439 HydrophobicContact CG-CB 4.23Å; D435-A439 WeakPolarHBondContact O-CB 3.25Å; D435-A439 PolarHBondContact O-N 3.19Å; A436-A439 PolarHBondContact O-N 3.05Å; L437-A439 VanDerWaalsContact C-N 3.33Å; L437-A439 PolarHBondContact O-N 2.61Å; A439-T443 PolarHBondContact O-N 2.88Å; A439-T443 VanDerWaalsContact O-N 3.15Å; A439-T443 PolarHBondContact O-OG1 2.69Å
440V92.3Very high87.7Confident3 Ų323 Ų232%0.01814%0.14CC..Hα-helixtrans-67.2-49.5174.1-179.10000110.3F386 A392 F409 A436 L437 N442 T443 I444 I741F386-V440 HydrophobicContact CB-CG2 4.17Å; F386-V440 HydrophobicContact CD2-CG2 3.44Å; F386-V440 VanDerWaalsContact CD2-CG2 3.44Å; F386-V440 HydrophobicContact CE2-CG2 3.92Å; F386-V440 HydrophobicContact CG-CG2 3.95Å; A392-V440 HydrophobicContact CB-CG1 4.39Å; A392-V440 HydrophobicContact CB-CG2 4.42Å; F409-V440 HydrophobicContact CE2-CG1 4.45Å; F409-V440 HydrophobicContact CE2-CG2 4.48Å; F409-V440 HydrophobicContact CZ-CG1 4.32Å; A436-V440 PolarHBondContact O-N 2.88Å; L437-V440 PolarHBondContact O-N 3.39Å; V440-N442 VanDerWaalsContact C-N 3.33Å; V440-N442 PolarHBondContact O-N 3.25Å; V440-T443 WeakPolarHBondContact O-CB 3.43Å; V440-T443 PolarHBondContact O-N 3.31Å; V440-I444 HydrophobicContact CG1-CD1 4.03Å; V440-I444 WeakPolarHBondContact O-CG1 3.45Å; V440-I444 PolarHBondContact O-N 2.99Å; V440-I444 VanDerWaalsContact O-N 3.11Å; V440-I741 HydrophobicContact CB-CD1 3.78Å; V440-I741 HydrophobicContact CG1-CD1 3.86Å; V440-I741 HydrophobicContact CG2-CD1 4.11Å
441L92.9Very high85.9Confident0 Ų023 Ų230%014%0.143CC..Hα-helixtrans-60.6-39.4177.5-66.6-175.7000113L437 L438 T443 I444 E445 F738 I741 T745 C772 I775L437-L441 PolarHBondContact O-N 2.99Å; L437-L441 VanDerWaalsContact O-N 3.16Å; L438-L441 HydrophobicContact CD2-CD1 4.38Å; L441-T443 VanDerWaalsContact C-N 3.27Å; L441-T443 PolarHBondContact O-N 2.84Å; L441-I444 PolarHBondContact O-N 2.95Å; L441-E445 WeakPolarHBondContact O-CB 3.23Å; L441-E445 PolarHBondContact O-N 3.34Å; L441-F738 HydrophobicContact CD2-CD2 3.66Å; L441-F738 HydrophobicContact CD2-CE2 3.7Å; L441-I741 HydrophobicContact CD2-CG2 4Å; L441-T745 HydrophobicContact CD1-CG2 3.72Å; L441-C772 VanDerWaalsContact CD1-SG 3.53Å; L441-I775 HydrophobicContact CB-CD1 4.24Å; L441-I775 HydrophobicContact CD2-CD1 3.95Å
442N90.9Very high83.6Confident39 Ų3926.8 Ų26.821%0.20916%0.159CC..Hα-helixtrans-59.5-38.4173.8178.498.8000112L438 V440 V446 R771L438-N442 WeakPolarHBondContact O-CB 3.29Å; L438-N442 PolarHBondContact O-N 3.42Å; V440-N442 VanDerWaalsContact C-N 3.33Å; V440-N442 PolarHBondContact O-N 3.25Å; N442-V446 VanDerWaalsContact O-CG2 3.27Å; N442-V446 WeakPolarHBondContact O-CG2 3.25Å; N442-V446 PolarHBondContact O-N 3.02Å; N442-R771 PolarHBondContact OD1-NH1 3.18Å; N442-R771 PolarHBondContact OD1-NH2 3.5Å
443T88.3Confident81Confident34 Ų3428.7 Ų28.721%0.20918%0.18CC..Hα-helixtrans-68.5-41.6179.8-57.50000110.9A439 V440 L441 Q447 T730A439-T443 PolarHBondContact O-N 2.88Å; A439-T443 VanDerWaalsContact O-N 3.15Å; A439-T443 PolarHBondContact O-OG1 2.69Å; V440-T443 WeakPolarHBondContact O-CB 3.43Å; V440-T443 PolarHBondContact O-N 3.31Å; L441-T443 VanDerWaalsContact C-N 3.27Å; L441-T443 PolarHBondContact O-N 2.84Å; T443-Q447 PolarHBondContact O-N 3.24Å; T443-T730 HydrophobicContact CG2-CG2 3.39Å
444I91.4Very high78.3Confident2 Ų233.4 Ų33.41%0.0121%0.209CC..Hα-helixtrans-68.9-49.6177.3-61.1166.3000111.3V440 L441 V446 Q447 C448 D734 L737 F738 I775 Y779V440-I444 HydrophobicContact CG1-CD1 4.03Å; V440-I444 WeakPolarHBondContact O-CG1 3.45Å; V440-I444 PolarHBondContact O-N 2.99Å; V440-I444 VanDerWaalsContact O-N 3.11Å; L441-I444 PolarHBondContact O-N 2.95Å; I444-V446 VanDerWaalsContact C-N 3.32Å; I444-V446 PolarHBondContact O-N 3.45Å; I444-Q447 WeakPolarHBondContact O-CB 3.44Å; I444-Q447 PolarHBondContact O-N 3.05Å; I444-C448 PolarHBondContact O-N 2.97Å; I444-C448 PolarHBondContact O-SG 2.86Å; I444-D734 WeakPolarHBondContact CA-OD2 3.49Å; I444-D734 HydrophobicContact CG1-CB 4.03Å; I444-D734 HydrophobicContact CG2-CB 3.99Å; I444-L737 HydrophobicContact CD1-CB 4.3Å; I444-F738 HydrophobicContact CD1-CB 4.35Å; I444-I775 HydrophobicContact CB-CD1 4.06Å; I444-I775 HydrophobicContact CG2-CB 4.48Å; I444-I775 HydrophobicContact CG2-CD1 3.96Å; I444-I775 HydrophobicContact CG2-CG1 4.01Å; I444-I775 HydrophobicContact CG2-CG2 3.61Å; I444-Y779 HydrophobicContact CG2-CE2 4.12Å
445E90.5Very high75.6Confident44 Ų4438.8 Ų38.821%0.20624%0.237CC..Hα-helixtrans-52.6-47.8179.7176.1-170.8-125.700112.3L441 Q447 C448 G449 R771 I775L441-E445 WeakPolarHBondContact O-CB 3.23Å; L441-E445 PolarHBondContact O-N 3.34Å; E445-Q447 PolarHBondContact O-N 3.37Å; E445-C448 WeakPolarHBondContact O-CB 3.27Å; E445-C448 PolarHBondContact O-N 3.35Å; E445-G449 PolarHBondContact O-N 3.26Å; E445-R771 HydrophobicContact CB-CG 4.41Å; E445-R771 VanDerWaalsContact CD-CG 3.44Å; E445-R771 HydrophobicContact CG-CG 4.36Å; E445-R771 WeakPolarHBondContact OE1-CG 3.37Å; E445-R771 IonicContact OE1-NE 3.62Å; E445-R771 IonicContact OE2-CZ 2.74Å; E445-R771 IonicContact OE2-NE 2.69Å; E445-R771 PolarHBondContact OE2-NE 3.15Å; E445-R771 IonicContact OE2-NH2 3.18Å; E445-R771 PolarHBondContact OE2-NH2 3.13Å; E445-I775 HydrophobicContact CB-CD1 4.25Å; E445-I775 HydrophobicContact CB-CG1 4.29Å
446V85.8Confident72.9Confident34 Ų3444.1 Ų44.121%0.20626%0.263CS..Hα-helixtrans-66.7-30.6-177.6176.30000111.2N442 I444 G449 A450 Y484 V486N442-V446 VanDerWaalsContact O-CG2 3.27Å; N442-V446 WeakPolarHBondContact O-CG2 3.25Å; N442-V446 PolarHBondContact O-N 3.02Å; I444-V446 VanDerWaalsContact C-N 3.32Å; I444-V446 PolarHBondContact O-N 3.45Å; V446-G449 PolarHBondContact O-N 2.99Å; V446-A450 PolarHBondContact O-N 3.47Å; V446-Y484 WeakPolarHBondContact CG1-O 3.3Å; V446-Y484 HydrophobicContact CG2-CD1 4.43Å; V446-V486 HydrophobicContact CB-CG2 4.09Å; V446-V486 HydrophobicContact CG1-CG2 3.65Å
447Q80.7Confident69.9Low56 Ų5649.3 Ų49.326%0.26229%0.291SS..Hα-helixtrans-73.1-36.5175.3-169.367.313.600112.8T443 I444 E445 G449 A450 S451T443-Q447 PolarHBondContact O-N 3.24Å; I444-Q447 WeakPolarHBondContact O-CB 3.44Å; I444-Q447 PolarHBondContact O-N 3.05Å; E445-Q447 PolarHBondContact O-N 3.37Å; Q447-G449 VanDerWaalsContact C-N 3.29Å; Q447-G449 PolarHBondContact O-N 3.17Å; Q447-A450 PolarHBondContact O-N 3.21Å; Q447-S451 WeakPolarHBondContact O-CB 3.34Å; Q447-S451 PolarHBondContact O-N 3.11Å; Q447-S451 PolarHBondContact O-OG 3.27Å
448C81Confident66.8Low5 Ų556.8 Ų56.83%0.03433%0.326CS..Hα-helixtrans-55.7-46.2171.1-60.30000110.8I444 E445 S451 Q452 Y778I444-C448 PolarHBondContact O-N 2.97Å; I444-C448 PolarHBondContact O-SG 2.86Å; E445-C448 WeakPolarHBondContact O-CB 3.27Å; E445-C448 PolarHBondContact O-N 3.35Å; C448-S451 PolarHBondContact O-N 3.37Å; C448-Q452 PolarHBondContact O-N 3.18Å; C448-Y778 HydrophobicContact CB-CD1 3.97Å; C448-Y778 HydrophobicContact CB-CD2 3.69Å; C448-Y778 HydrophobicContact CB-CE1 4.34Å; C448-Y778 HydrophobicContact CB-CE2 4.09Å; C448-Y778 HydrophobicContact CB-CG 3.63Å; C448-Y778 WeakPolarHBondContact SG-CD1 3.29Å; C448-Y778 VanDerWaalsContact SG-CG 3.58Å
449G64.6Low63.9Low44 Ų4464.8 Ų64.845%0.45437%0.369SS..Hα-helixtrans-66.3-39.2176.700000114.1E445 V446 Q447 S451E445-G449 PolarHBondContact O-N 3.26Å; V446-G449 PolarHBondContact O-N 2.99Å; Q447-G449 VanDerWaalsContact C-N 3.29Å; Q447-G449 PolarHBondContact O-N 3.17Å; G449-S451 VanDerWaalsContact C-N 3.31Å; G449-S451 PolarHBondContact O-N 2.66Å
450A56.7Low60.9Low51 Ų5168.2 Ų68.242%0.42139%0.392SS..Hα-helixtrans-64.6-35.5176.800000112.7V446 Q447 A453V446-A450 PolarHBondContact O-N 3.47Å; Q447-A450 PolarHBondContact O-N 3.21Å; A450-A453 PolarHBondContact O-N 3.23Å
451S51.8Low57.9Low27 Ų2775.4 Ų75.419%0.18943%0.43CS..Hα-helixtrans-73-30.9-175.8-56.70000113.3Q447 C448 G449 A453 T454 Y778Q447-S451 WeakPolarHBondContact O-CB 3.34Å; Q447-S451 PolarHBondContact O-N 3.11Å; Q447-S451 PolarHBondContact O-OG 3.27Å; C448-S451 PolarHBondContact O-N 3.37Å; G449-S451 VanDerWaalsContact C-N 3.31Å; G449-S451 PolarHBondContact O-N 2.66Å; S451-A453 VanDerWaalsContact C-N 3.25Å; S451-A453 PolarHBondContact O-N 3.48Å; S451-T454 PolarHBondContact O-N 3.21Å; S451-T454 PolarHBondContact O-OG1 3.44Å; S451-Y778 WeakPolarHBondContact CB-OH 3.23Å
452Q43.7Very low54.8Low125 Ų12582.7 Ų82.758%0.58447%0.469SS*.Hα-helixtrans-66.3-27.8174.7-71.2-174.7-19.600112.7C448 T454 Y778C448-Q452 PolarHBondContact O-N 3.18Å; Q452-T454 VanDerWaalsContact C-N 3.33Å; Q452-T454 PolarHBondContact O-N 2.98Å; Q452-Y778 HydrophobicContact CG-CE2 4.31Å
453A36.7Very low51.9Low75 Ų7590.4 Ų90.462%0.6250%0.501SS*.Hα-helixtrans-72.2-22179.400000113.8A450 S451A450-A453 PolarHBondContact O-N 3.23Å; S451-A453 VanDerWaalsContact C-N 3.25Å; S451-A453 PolarHBondContact O-N 3.48Å
454T37.5Very low48.8Very low99 Ų9993.5 Ų93.561%0.60752%0.524SS*.Hα-helixtrans-93.2-11.3-179.138.40000114.5S451 Q452S451-T454 PolarHBondContact O-N 3.21Å; S451-T454 PolarHBondContact O-OG1 3.44Å; Q452-T454 VanDerWaalsContact C-N 3.33Å; Q452-T454 PolarHBondContact O-N 2.98Å
455I36Very low45.9Very low112 Ų11299.3 Ų99.357%0.57456%0.562SS**Hα-helixtrans-78.9-21.8179.5-66.3171.3000112D457I455-D457 VanDerWaalsContact C-N 3.26Å; I455-D457 PolarHBondContact O-N 2.93Å
456I36.4Very low42.8Very low156 Ų156104.3 Ų104.380%0.859%0.59SS**THydrogen-bonded Turntrans-75.2-10.1-177-63176.2000113
457D31.2Very low40Very low110 Ų110108 Ų10859%0.58862%0.617SS**THydrogen-bonded Turntrans-127.136.5-173.7-151.4-18.9000113.2I455 S460I455-D457 VanDerWaalsContact C-N 3.26Å; I455-D457 PolarHBondContact O-N 2.93Å; D457-S460 PolarHBondContact O-OG 2.92Å; D457-S460 WeakPolarHBondContact OD1-CB 3.36Å; D457-S460 PolarHBondContact OD1-OG 3.4Å
458Q29.5Very low37.3Very low156 Ų156112.4 Ų112.473%0.72965%0.648SS**  trans-86.3-15.1176.2-74.6-157.8-17.600115S460Q458-S460 PolarHBondContact O-N 3.33Å
459D30.9Very low34.7Very low181 Ų181118.6 Ų118.697%0.96868%0.681SS**THydrogen-bonded Turntrans-73.3-5.1177.2-86.6-28.3000114
460S30.9Very low32.8Very low79 Ų79126.8 Ų126.855%0.55270%0.699SS**THydrogen-bonded Turntrans-102.5-8.8-168.263.40000115.8D457 Q458D457-S460 PolarHBondContact O-OG 2.92Å; D457-S460 WeakPolarHBondContact OD1-CB 3.36Å; D457-S460 PolarHBondContact OD1-OG 3.4Å; Q458-S460 PolarHBondContact O-N 3.33Å
461L28.1Very low31.2Very low155 Ų155132.7 Ų132.781%0.81272%0.723SS**  trans-109.969.8-167.6-104155.6000114.8
462N28.1Very low30Very low153 Ų153136.1 Ų136.182%0.81875%0.745SS**  trans-133.563.9173.3-137.6-25.9000112.7
463K29.4Very low29.1Very low201 Ų201138.2 Ų138.287%0.87476%0.759SS**SBendtrans-166.3131.2167.5-106.2142.5-171.9169.40114.5
464S24.8Very low28.7Very low99 Ų99139.6 Ų139.669%0.69276%0.759SS**  trans60.698154.3-173.60000119.9N466S464-N466 PolarHBondContact O-N 3.04Å
465P29.5Very low28.2Very low124 Ų124141.3 Ų141.381%0.80577%0.765SS**  trans-81.996.5161.333.1-30.4000111
466N26.1Very low27.8Very low148 Ų148144.2 Ų144.279%0.79177%0.774SS**  trans-169.890.7164.6-107.1-29.8000113.2S464S464-N466 PolarHBondContact O-N 3.04Å
467S27.1Very low27.3Very low113 Ų113142.9 Ų142.979%0.7978%0.778SS**  trans-178.899148.4-85.70000110.9N469S467-N469 PolarHBondContact O-N 3.37Å
468T23Very low27Very low147 Ų147141.4 Ų141.490%0.90278%0.776SS**  trans-72.5105.1166.8-37.10000108.4
469N25.8Very low27Very low135 Ų135141.2 Ų141.272%0.72279%0.786SS**  trans-148.5142.7172.5-107.6-43.2000112.7S467 L471S467-N469 PolarHBondContact O-N 3.37Å; N469-L471 PolarHBondContact O-N 3.24Å
470Y24.8Very low27Very low216 Ų216139.6 Ų139.685%0.84778%0.776SS**  trans-55.7128.7-178.7-57.2-97.8000111.7P472Y470-P472 VanDerWaalsContact O-CD 3.27Å; Y470-P472 WeakPolarHBondContact O-CD 3.49Å
471L24.7Very low27.1Very low175 Ų175143 Ų14392%0.91679%0.787SS**  trans-82.2112.4164-80.6170.5000108.9N469N469-L471 PolarHBondContact O-N 3.24Å
472P26Very low27.2Very low99 Ų99141 Ų14164%0.64379%0.786SS**  trans-74.7145.6173.831.6-34000110.6Y470 V474Y470-P472 VanDerWaalsContact O-CD 3.27Å; Y470-P472 WeakPolarHBondContact O-CD 3.49Å; P472-V474 HydrophobicContact CG-CG2 4.27Å; P472-V474 PolarHBondContact O-N 2.92Å
473L24.6Very low28Very low169 Ų169141.8 Ų141.889%0.88578%0.783SS**  trans-65.5105.5172.3-17474.7000109.6
474V28.7Very low28.6Very low104 Ų104138.1 Ų138.163%0.6376%0.764SS**  trans-116.3105.4175.5178.90000109.4P472 K476P472-V474 HydrophobicContact CG-CG2 4.27Å; P472-V474 PolarHBondContact O-N 2.92Å; V474-K476 PolarHBondContact O-N 2.8Å
475D26.4Very low29.6Very low136 Ų136142.2 Ų142.273%0.72776%0.764SS**  trans-62.1114.9168.2-91.1-50.6000110.4
476K28.5Very low30.8Very low173 Ų173139 Ų13975%0.75274%0.742SS**  trans-96.8111.3160.4-79.6-173.1175.7178.10109.2V474 S478V474-K476 PolarHBondContact O-N 2.8Å; K476-S478 PolarHBondContact O-N 3.15Å
477S24.2Very low32.5Very low127 Ų127141.4 Ų141.489%0.88874%0.741SS**  trans-68105.9174.454.70000111.2
478S26.5Very low34.3Very low79 Ų79141.4 Ų141.455%0.55274%0.738SS**  trans-139121.2165.959.10000108.9K476 I480K476-S478 PolarHBondContact O-N 3.15Å; S478-I480 PolarHBondContact O-N 3.47Å
479T28.1Very low36.8Very low152 Ų152135.4 Ų135.493%0.93370%0.7SS**  trans-75.188.3-173.348.70000112
480I30.9Very low39.5Very low148 Ų148134.5 Ų134.576%0.75969%0.687SS**SBendtrans-136143.1167.7-56.9-179.4000106.6S478 S482S478-I480 PolarHBondContact O-N 3.47Å; I480-S482 PolarHBondContact O-N 3.17Å
481D32.8Very low42.3Very low149 Ų149125.4 Ų125.480%0.79765%0.652SS**  trans-53.4127.4-158.8-78.2-72.9000116.3K483D481-K483 VanDerWaalsContact C-N 3.26Å; D481-K483 PolarHBondContact O-N 3.34Å
482S32Very low44.9Very low113 Ų113125.3 Ų125.379%0.7964%0.644SS**G310 helixtrans-79.34.7-170.558.60000115.4I480 Y484I480-S482 PolarHBondContact O-N 3.17Å; S482-Y484 PolarHBondContact O-N 2.8Å
483K43.8Very low47.5Very low170 Ų170121.4 Ų121.474%0.73962%0.619SS**G310 helixtrans-72.4-23.2-174.7-89.1-171.7172-176.70115.1D481D481-K483 VanDerWaalsContact C-N 3.26Å; D481-K483 PolarHBondContact O-N 3.34Å
484Y42.8Very low50Low125 Ų125115.4 Ų115.449%0.4959%0.588SS.*G310 helixtrans-128.827.2-164.9-56.5-76.6000115.1V446 S482 V486V446-Y484 WeakPolarHBondContact CG1-O 3.3Å; V446-Y484 HydrophobicContact CG2-CD1 4.43Å; S482-Y484 PolarHBondContact O-N 2.8Å; Y484-V486 PolarHBondContact O-N 3.49Å
485R44.9Very low52.2Low184 Ų184116.1 Ų116.169%0.69459%0.587SS**  trans-78.7107.8164.1-78.8-170177.4178.31109.6R487R485-R487 PolarHBondContact O-N 2.86Å
486V55.1Low54.5Low56 Ų56115.6 Ų115.634%0.33959%0.589SS.*PPolyproline II helixtrans-54.5123168.3177.30000108.4V446 Y484 T730V446-V486 HydrophobicContact CB-CG2 4.09Å; V446-V486 HydrophobicContact CG1-CG2 3.65Å; Y484-V486 PolarHBondContact O-N 3.49Å; V486-T730 HydrophobicContact CG1-CG2 3.75Å
487R62.9Low56.8Low200 Ų200113.2 Ų113.276%0.75558%0.579SS**PPolyproline II helixtrans-72.5135.7171-70.4-178.9176.9-175.2-1.2108.2P389 R485P389-R487 WeakPolarHBondContact CB-O 3.45Å; P389-R487 HydrophobicContact CG-CB 3.84Å; P389-R487 WeakPolarHBondContact CG-O 3.48Å; R485-R487 PolarHBondContact O-N 2.86Å
488P63.5Low59.5Low113 Ų113109.8 Ų109.873%0.73455%0.55SS**PPolyproline II helixtrans-63.1148.5171.327.4-33.9000110.4R490P488-R490 PolarHBondContact O-N 3.35Å
489N75.7Confident62.2Low21 Ų21107.1 Ų107.111%0.11253%0.531CS..PPolyproline II helixtrans-57.9128.9169.3-175-6.6000108.8R345 E394 H491 V728R345-N489 PolarHBondContact NH2-OD1 3.21Å; E394-N489 PolarHBondContact OE1-ND2 3.09Å; E394-N489 PolarHBondContact OE2-ND2 3.28Å; N489-H491 PolarHBondContact O-N 3.12Å; N489-H491 PolarHBondContact OD1-N 3.41Å; N489-H491 PolarHBondContact OD1-ND1 2.81Å; N489-V728 PolarHBondContact ND2-O 2.87Å
490R81.8Confident64.9Low115 Ų115102.1 Ų102.143%0.43450%0.502SS..SBendtrans-71.4-18.1-177.468.3156.4163.6157.4-10.6114D298 E342 S343 P488D298-R490 VanDerWaalsContact CG-NH1 3.29Å; D298-R490 IonicContact OD1-CZ 2.74Å; D298-R490 IonicContact OD1-NH1 3.19Å; D298-R490 PolarHBondContact OD1-NH1 3.34Å; D298-R490 IonicContact OD2-NH1 2.77Å; D298-R490 PolarHBondContact OD2-NH1 3.36Å; D298-R490 VanDerWaalsContact OD2-NH1 3.09Å; E342-R490 PolarHBondContact O-NH2 3.09Å; E342-R490 IonicContact OE1-CZ 2.88Å; E342-R490 IonicContact OE1-NE 2.67Å; E342-R490 PolarHBondContact OE1-NE 2.86Å; E342-R490 IonicContact OE1-NH2 3.09Å; E342-R490 PolarHBondContact OE1-NH2 3.33Å; E342-R490 IonicContact OE2-CZ 2.75Å; E342-R490 IonicContact OE2-NE 3.62Å; E342-R490 IonicContact OE2-NH2 2.67Å; E342-R490 PolarHBondContact OE2-NH2 2.72Å; S343-R490 VanDerWaalsContact CA-NH2 3.31Å; S343-R490 VanDerWaalsContact CB-NH2 3.31Å; P488-R490 PolarHBondContact O-N 3.35Å
491H83.8Confident67.4Low26 Ų26100 Ų10012%0.1249%0.485CS..SBendtrans-82.2142.3-177.9-54.784.3000110.4E342 R345 N489 V493 H727E342-H491 PolarHBondContact O-CE1 3.15Å; E342-H491 PolarHBondContact O-NE2 2.95Å; R345-H491 PolarHBondContact NE-CE1 3.44Å; R345-H491 PolarHBondContact NH2-ND1 3.1Å; N489-H491 PolarHBondContact O-N 3.12Å; N489-H491 PolarHBondContact OD1-N 3.41Å; N489-H491 PolarHBondContact OD1-ND1 2.81Å; H491-V493 PolarHBondContact O-N 3.49Å; H491-H727 HydrophobicContact CB-CB 4.27Å; H491-H727 VanDerWaalsContact CB-CE1 3.45Å; H491-H727 WeakPolarHBondContact CB-CE1 3.39Å; H491-H727 WeakPolarHBondContact CB-ND1 3.11Å; H491-H727 AromaticContact CD2-CE1 3.36Å; H491-H727 PolarHBondContact CD2-CE1 2.91Å; H491-H727 AromaticContact CD2-NE2 3.59Å; H491-H727 AromaticContact CG-CE1 3.26Å; H491-H727 AromaticContact CG-ND1 3.62Å; H491-H727 AromaticContact CG-NE2 3.74Å; H491-H727 AromaticContact ND1-CE1 3.91Å
492F80.1Confident69.8Low172 Ų17299.9 Ų99.975%0.75448%0.479SS*.  trans-64.6123.9175.5178.9-96.2000110.7D494F492-D494 HydrophobicContact CD1-CB 4.43Å; F492-D494 HydrophobicContact CE1-CB 3.97Å
493V80.9Confident72.4Confident17 Ų1799.7 Ų99.710%0.10347%0.466CS..  trans-95.2110177177.20000109.1H491 L495 L498 H727 Q729H491-V493 PolarHBondContact O-N 3.49Å; V493-L495 HydrophobicContact CG1-CD2 4.22Å; V493-L495 PolarHBondContact O-N 2.82Å; V493-L498 HydrophobicContact CG1-CD1 4.2Å; V493-L498 HydrophobicContact CG1-CD2 4.31Å; V493-L498 HydrophobicContact CG1-CG 4.45Å; V493-H727 WeakPolarHBondContact CG1-O 3.5Å; V493-H727 HydrophobicContact CG2-CB 4.36Å; V493-Q729 HydrophobicContact CB-CG 4.07Å; V493-Q729 HydrophobicContact CG1-CG 4.07Å; V493-Q729 HydrophobicContact CG2-CG 3.86Å
494D77.6Confident74.5Confident44 Ų4492 Ų9224%0.23543%0.432CS..  trans-80.796.4174.7-172.6-12.6000110.2F492 T496 K497F492-D494 HydrophobicContact CD1-CB 4.43Å; F492-D494 HydrophobicContact CE1-CB 3.97Å; D494-T496 PolarHBondContact O-N 2.99Å; D494-T496 WeakPolarHBondContact OD1-CB 3.45Å; D494-T496 PolarHBondContact OD1-N 3.4Å; D494-T496 PolarHBondContact OD1-OG1 3.13Å; D494-T496 PolarHBondContact OD2-OG1 3.45Å; D494-K497 HydrophobicContact CB-CG 4.46Å; D494-K497 PolarHBondContact O-N 3.43Å; D494-K497 IonicContact OD2-NZ 2.76Å; D494-K497 PolarHBondContact OD2-NZ 2.85Å
495L73.7Confident76.5Confident119 Ų11988.5 Ų88.562%0.62342%0.422SS*.G310 helixtrans-56.6-20.2178.8-60.7177.7000113.4V493 K497 L498V493-L495 HydrophobicContact CG1-CD2 4.22Å; V493-L495 PolarHBondContact O-N 2.82Å; L495-K497 VanDerWaalsContact C-N 3.26Å; L495-K497 PolarHBondContact O-N 3.13Å; L495-L498 HydrophobicContact CD2-CD1 3.68Å
496T75.7Confident78.5Confident124 Ų12484.8 Ų84.876%0.76142%0.415SS*.G310 helixtrans-79.2-7.3177.572.20000113.8D494D494-T496 PolarHBondContact O-N 2.99Å; D494-T496 WeakPolarHBondContact OD1-CB 3.45Å; D494-T496 PolarHBondContact OD1-N 3.4Å; D494-T496 PolarHBondContact OD1-OG1 3.13Å; D494-T496 PolarHBondContact OD2-OG1 3.45Å
497K76.8Confident80.2Confident123 Ų12383.9 Ų83.954%0.53541%0.411SS..G310 helixtrans-118.97.2-180-59.4-166.8-177.387.80113.9D494 L495 P499D494-K497 HydrophobicContact CB-CG 4.46Å; D494-K497 PolarHBondContact O-N 3.43Å; D494-K497 IonicContact OD2-NZ 2.76Å; D494-K497 PolarHBondContact OD2-NZ 2.85Å; L495-K497 VanDerWaalsContact C-N 3.26Å; L495-K497 PolarHBondContact O-N 3.13Å; K497-P499 WeakPolarHBondContact O-CD 3.41Å
498L81Confident81.4Confident56 Ų5676.6 Ų76.629%0.29339%0.385SS..PPolyproline II helixtrans-74.9121.7173.9-71.7176.6000109.5V493 L495 I726 V728V493-L498 HydrophobicContact CG1-CD1 4.2Å; V493-L498 HydrophobicContact CG1-CD2 4.31Å; V493-L498 HydrophobicContact CG1-CG 4.45Å; L495-L498 HydrophobicContact CD2-CD1 3.68Å; L498-I726 HydrophobicContact CD2-CG2 4.22Å; L498-V728 HydrophobicContact CD2-CB 4.33Å; L498-V728 HydrophobicContact CD2-CG1 4.08Å; L498-V728 HydrophobicContact CD2-CG2 3.85Å
499P83.4Confident82.6Confident23 Ų2374.5 Ų74.515%0.14937%0.373CS..PPolyproline II helixtrans-71.3155175.230.6-34.3000110.7I397 K497 E503 L504 F733I397-P499 HydrophobicContact CG2-CG 4.41Å; K497-P499 WeakPolarHBondContact O-CD 3.41Å; P499-E503 VanDerWaalsContact CA-OE2 3.25Å; P499-E503 WeakPolarHBondContact CA-OE2 3.44Å; P499-E503 HydrophobicContact CB-CB 4.29Å; P499-L504 HydrophobicContact CB-CD2 4.09Å; P499-L504 HydrophobicContact CB-CG 4.19Å; P499-L504 HydrophobicContact CG-CD1 4.31Å; P499-L504 HydrophobicContact CG-CD2 3.57Å; P499-L504 HydrophobicContact CG-CG 3.86Å; P499-F733 WeakPolarHBondContact O-CZ 3.23Å
500S82.8Confident83.3Confident46 Ų4678.2 Ų78.232%0.32239%0.388SS..PPolyproline II helixtrans-73.5158.8171.5690000112.1E502 E503 L504S500-E502 PolarHBondContact O-N 3.39Å; S500-E503 WeakPolarHBondContact CB-OE1 3.45Å; S500-E503 PolarHBondContact N-OE2 2.8Å; S500-E503 PolarHBondContact O-N 2.89Å; S500-E503 WeakPolarHBondContact OG-CB 3.43Å; S500-E503 VanDerWaalsContact OG-CG 3.25Å; S500-E503 WeakPolarHBondContact OG-CG 3.28Å; S500-E503 PolarHBondContact OG-N 2.96Å; S500-E503 VanDerWaalsContact OG-N 3.08Å; S500-E503 PolarHBondContact OG-OE1 3.31Å; S500-L504 PolarHBondContact O-N 3.25Å
501R84Confident83.9Confident105 Ų10572.9 Ų72.940%0.39637%0.368SS..Hα-helixtrans-60-30.1173178.5174168.7124.7-1.2111.5N505 F733 A735 D736 E739R501-N505 WeakPolarHBondContact O-CB 3.38Å; R501-N505 PolarHBondContact O-N 2.97Å; R501-N505 VanDerWaalsContact O-N 3.1Å; R501-N505 PolarHBondContact O-ND2 3.36Å; R501-F733 HydrophobicContact CB-CD1 4.38Å; R501-F733 HydrophobicContact CB-CE1 4.29Å; R501-A735 VanDerWaalsContact NH1-CB 3.34Å; R501-D736 WeakPolarHBondContact CD-OD2 3.29Å; R501-D736 IonicContact CZ-OD1 2.71Å; R501-D736 IonicContact CZ-OD2 2.63Å; R501-D736 IonicContact NE-OD1 3.11Å; R501-D736 PolarHBondContact NE-OD1 3.02Å; R501-D736 IonicContact NE-OD2 3.86Å; R501-D736 IonicContact NH1-OD1 3.92Å; R501-D736 PolarHBondContact NH1-OD1 2.98Å; R501-D736 VanDerWaalsContact NH1-OD1 3.16Å; R501-D736 IonicContact NH1-OD2 2.66Å; R501-D736 PolarHBondContact NH1-OD2 3.35Å; R501-D736 IonicContact NH2-OD1 3.87Å; R501-E739 IonicContact NH2-OE2 3.23Å
502E83.2Confident84.3Confident146 Ų14678.8 Ų78.868%0.68239%0.394SS*.Hα-helixtrans-70.7-47175.2-169.3167.2-165.300111.4S500 L504 N505 I506S500-E502 PolarHBondContact O-N 3.39Å; E502-L504 PolarHBondContact O-N 3.27Å; E502-N505 PolarHBondContact O-N 2.93Å; E502-I506 HydrophobicContact CG-CD1 4.09Å; E502-I506 VanDerWaalsContact O-CG1 3.3Å; E502-I506 WeakPolarHBondContact O-CG1 3.31Å; E502-I506 PolarHBondContact O-N 3.36Å
503E86.9Confident84.9Confident108 Ų10873 Ų7351%0.50537%0.37SS..Hα-helixtrans-57.8-42.9173.3-75.9149.1-130.900113P499 S500 I506 S507P499-E503 VanDerWaalsContact CA-OE2 3.25Å; P499-E503 WeakPolarHBondContact CA-OE2 3.44Å; P499-E503 HydrophobicContact CB-CB 4.29Å; S500-E503 WeakPolarHBondContact CB-OE1 3.45Å; S500-E503 PolarHBondContact N-OE2 2.8Å; S500-E503 PolarHBondContact O-N 2.89Å; S500-E503 WeakPolarHBondContact OG-CB 3.43Å; S500-E503 VanDerWaalsContact OG-CG 3.25Å; S500-E503 WeakPolarHBondContact OG-CG 3.28Å; S500-E503 PolarHBondContact OG-N 2.96Å; S500-E503 VanDerWaalsContact OG-N 3.08Å; S500-E503 PolarHBondContact OG-OE1 3.31Å; E503-I506 PolarHBondContact O-N 3.24Å; E503-S507 WeakPolarHBondContact O-CB 3.48Å; E503-S507 PolarHBondContact O-N 3.29Å
504L87.1Confident85.4Confident8 Ų872.7 Ų72.74%0.04237%0.368CS..Hα-helixtrans-63.1-43.5175.8-71.6-178000111.9I397 C401 P499 S500 E502 S507 K508 F733I397-L504 HydrophobicContact CD1-CD1 4.41Å; I397-L504 HydrophobicContact CG1-CD1 3.82Å; I397-L504 HydrophobicContact CG1-CD2 4.25Å; I397-L504 HydrophobicContact CG2-CD2 4.23Å; C401-L504 HydrophobicContact CB-CD2 3.94Å; P499-L504 HydrophobicContact CB-CD2 4.09Å; P499-L504 HydrophobicContact CB-CG 4.19Å; P499-L504 HydrophobicContact CG-CD1 4.31Å; P499-L504 HydrophobicContact CG-CD2 3.57Å; P499-L504 HydrophobicContact CG-CG 3.86Å; S500-L504 PolarHBondContact O-N 3.25Å; E502-L504 PolarHBondContact O-N 3.27Å; L504-S507 PolarHBondContact O-N 3.43Å; L504-K508 VanDerWaalsContact O-CB 3.26Å; L504-K508 WeakPolarHBondContact O-CB 3.33Å; L504-K508 PolarHBondContact O-N 3.01Å; L504-F733 HydrophobicContact CD1-CD1 3.48Å; L504-F733 VanDerWaalsContact CD1-CD1 3.48Å; L504-F733 HydrophobicContact CD1-CD2 4.38Å; L504-F733 HydrophobicContact CD1-CE1 3.38Å; L504-F733 HydrophobicContact CD1-CE2 4.3Å; L504-F733 HydrophobicContact CD1-CG 4Å; L504-F733 HydrophobicContact CD1-CZ 3.82Å; L504-F733 HydrophobicContact CG-CE1 4.41Å
505N85.7Confident86.1Confident52 Ų5272.1 Ų72.128%0.27836%0.364SS..Hα-helixtrans-69.5-32.7178.8-76.9-43000112.4R501 E502 S509R501-N505 WeakPolarHBondContact O-CB 3.38Å; R501-N505 PolarHBondContact O-N 2.97Å; R501-N505 VanDerWaalsContact O-N 3.1Å; R501-N505 PolarHBondContact O-ND2 3.36Å; E502-N505 PolarHBondContact O-N 2.93Å; N505-S509 WeakPolarHBondContact O-CB 3.38Å; N505-S509 PolarHBondContact O-N 3.37Å; N505-S509 PolarHBondContact O-OG 3.25Å
506I87.2Confident87.1Confident106 Ų10669 Ų6954%0.54435%0.348SS..Hα-helixtrans-63.8-46.6167.8-68.9164.5000110.4E502 E503 S509 K510E502-I506 HydrophobicContact CG-CD1 4.09Å; E502-I506 VanDerWaalsContact O-CG1 3.3Å; E502-I506 WeakPolarHBondContact O-CG1 3.31Å; E502-I506 PolarHBondContact O-N 3.36Å; E503-I506 PolarHBondContact O-N 3.24Å; I506-S509 PolarHBondContact O-N 2.79Å; I506-K510 WeakPolarHBondContact O-CB 3.39Å; I506-K510 PolarHBondContact O-N 2.99Å
507S89.6Confident87.9Confident37 Ų3763.1 Ų63.126%0.25931%0.312SS..Hα-helixtrans-64.1-45.3179.9-164.60000112.3C401 E503 L504 S509 K510 K511C401-S507 WeakPolarHBondContact O-CB 3.06Å; C401-S507 PolarHBondContact O-OG 2.71Å; E503-S507 WeakPolarHBondContact O-CB 3.48Å; E503-S507 PolarHBondContact O-N 3.29Å; L504-S507 PolarHBondContact O-N 3.43Å; S507-S509 VanDerWaalsContact C-N 3.35Å; S507-S509 PolarHBondContact O-N 3.13Å; S507-K510 PolarHBondContact O-N 3.31Å; S507-K511 WeakPolarHBondContact O-CB 3.4Å; S507-K511 PolarHBondContact O-N 2.86Å
508K89Confident88.8Confident48 Ų4857.3 Ų57.321%0.20929%0.287CS..Hα-helixtrans-62.4-38.8175.4-171.2178.4-179.5-172.60111.9Y396 L504 K512Y396-K508 HydrophobicContact CE2-CD 4.08Å; Y396-K508 VanDerWaalsContact OH-CD 3.3Å; Y396-K508 WeakPolarHBondContact OH-CD 3.4Å; Y396-K508 PolarHBondContact OH-NZ 2.98Å; L504-K508 VanDerWaalsContact O-CB 3.26Å; L504-K508 WeakPolarHBondContact O-CB 3.33Å; L504-K508 PolarHBondContact O-N 3.01Å; K508-K512 PolarHBondContact O-N 3.08Å
509S88.6Confident89.4Confident68 Ų6858.1 Ų58.148%0.47629%0.292SS..Hα-helixtrans-67.8-46.3173.8-610000112N505 I506 S507 K511 K512 L513N505-S509 WeakPolarHBondContact O-CB 3.38Å; N505-S509 PolarHBondContact O-N 3.37Å; N505-S509 PolarHBondContact O-OG 3.25Å; I506-S509 PolarHBondContact O-N 2.79Å; S507-S509 VanDerWaalsContact C-N 3.35Å; S507-S509 PolarHBondContact O-N 3.13Å; S509-K511 VanDerWaalsContact C-N 3.31Å; S509-K511 PolarHBondContact O-N 3.47Å; S509-K512 PolarHBondContact O-N 3.5Å; S509-L513 WeakPolarHBondContact O-CG 3.12Å; S509-L513 PolarHBondContact O-N 3.24Å
510K90.8Very high90Very high100 Ų10058.8 Ų58.844%0.43529%0.293SS..Hα-helixtrans-61.4-38.6175-175.3162.5-177.4159.40111.5I506 S507 L513 L514 I537I506-K510 WeakPolarHBondContact O-CB 3.39Å; I506-K510 PolarHBondContact O-N 2.99Å; S507-K510 PolarHBondContact O-N 3.31Å; K510-L513 PolarHBondContact O-N 3.2Å; K510-L514 VanDerWaalsContact O-CB 3.26Å; K510-L514 WeakPolarHBondContact O-CB 3.35Å; K510-L514 PolarHBondContact O-N 3.1Å; K510-I537 HydrophobicContact CG-CD1 4.06Å; K510-I537 HydrophobicContact CG-CG1 4.22Å
511K93.2Very high90.6Very high3 Ų356.6 Ų56.61%0.01328%0.277CS..Hα-helixtrans-60.6-48.7172.3-178.9-179.9-164.7178.80112Y399 D400 D402 C405 S406 N407 S507 S509 L513 L514 I515Y399-K511 PolarHBondContact O-NZ 3.39Å; D400-K511 WeakPolarHBondContact O-CD 3.31Å; D400-K511 PolarHBondContact O-NZ 3.33Å; D400-K511 VanDerWaalsContact O-NZ 3.1Å; D402-K511 VanDerWaalsContact O-CD 3.25Å; D402-K511 WeakPolarHBondContact O-CD 3.48Å; D402-K511 WeakPolarHBondContact O-CE 3.48Å; D402-K511 PolarHBondContact O-NZ 2.9Å; C405-K511 WeakPolarHBondContact O-CE 3.45Å; C405-K511 PolarHBondContact O-NZ 2.89Å; S406-K511 PolarHBondContact O-NZ 3.4Å; N407-K511 VanDerWaalsContact OD1-CE 3.28Å; N407-K511 WeakPolarHBondContact OD1-CE 3.24Å; N407-K511 PolarHBondContact OD1-NZ 2.91Å; S507-K511 WeakPolarHBondContact O-CB 3.4Å; S507-K511 PolarHBondContact O-N 2.86Å; S509-K511 VanDerWaalsContact C-N 3.31Å; S509-K511 PolarHBondContact O-N 3.47Å; K511-L513 VanDerWaalsContact C-N 3.3Å; K511-L513 PolarHBondContact O-N 3.39Å; K511-L514 WeakPolarHBondContact O-CB 3.08Å; K511-L514 PolarHBondContact O-N 2.97Å; K511-I515 HydrophobicContact CG-CD1 3.95Å; K511-I515 VanDerWaalsContact O-CG1 3.27Å; K511-I515 WeakPolarHBondContact O-CG1 3.4Å; K511-I515 PolarHBondContact O-N 3.19Å
512K92.1Very high91.1Very high150 Ų15053.5 Ų53.565%0.65227%0.269SS*.Hα-helixtrans-57.4-43.2177.8-175178.2180179.60111.9K508 S509 L516K508-K512 PolarHBondContact O-N 3.08Å; S509-K512 PolarHBondContact O-N 3.5Å; K512-L516 WeakPolarHBondContact O-CG 3.28Å; K512-L516 PolarHBondContact O-N 3.49Å
513L93.3Very high91.7Very high50 Ų5052.8 Ų52.826%0.26227%0.268SS..Hα-helixtrans-68.7-40.1175.8-70.5167.4000112.6S509 K510 K511 I515 L516 G517 F531 N535 I537S509-L513 WeakPolarHBondContact O-CG 3.12Å; S509-L513 PolarHBondContact O-N 3.24Å; K510-L513 PolarHBondContact O-N 3.2Å; K511-L513 VanDerWaalsContact C-N 3.3Å; K511-L513 PolarHBondContact O-N 3.39Å; L513-I515 VanDerWaalsContact C-N 3.33Å; L513-I515 PolarHBondContact O-N 3.22Å; L513-L516 PolarHBondContact O-N 3.26Å; L513-G517 PolarHBondContact O-N 2.93Å; L513-F531 HydrophobicContact CD2-CZ 4.32Å; L513-N535 HydrophobicContact CD1-CB 4.26Å; L513-N535 HydrophobicContact CD2-CB 4.19Å; L513-N535 WeakPolarHBondContact CD2-OD1 3.44Å; L513-I537 HydrophobicContact CB-CD1 3.59Å
514L92.6Very high92Very high10 Ų1054.5 Ų54.55%0.05227%0.274CS..Hα-helixtrans-61.5-40.2175.5-17372.8000111.8P403 Y404 K510 K511 S518 L532 I537 F550P403-L514 HydrophobicContact CB-CD2 3.74Å; Y404-L514 HydrophobicContact CD1-CD2 4.25Å; Y404-L514 HydrophobicContact CE1-CD2 3.81Å; K510-L514 VanDerWaalsContact O-CB 3.26Å; K510-L514 WeakPolarHBondContact O-CB 3.35Å; K510-L514 PolarHBondContact O-N 3.1Å; K511-L514 WeakPolarHBondContact O-CB 3.08Å; K511-L514 PolarHBondContact O-N 2.97Å; L514-S518 WeakPolarHBondContact O-CB 3.29Å; L514-S518 PolarHBondContact O-N 3.35Å; L514-S518 PolarHBondContact O-OG 3.33Å; L514-L532 HydrophobicContact CD1-CD2 4.41Å; L514-I537 HydrophobicContact CB-CD1 4.15Å; L514-I537 HydrophobicContact CD1-CG2 3.93Å; L514-F550 HydrophobicContact CD1-CD2 4.03Å; L514-F550 HydrophobicContact CD1-CE2 3.68Å
515I92.2Very high92.3Very high32 Ų3255.1 Ų55.116%0.16428%0.278CS..Hα-helixtrans-62.2-54.2175.4-67.4166.5000110K511 L513 G517 S518 D519K511-I515 HydrophobicContact CG-CD1 3.95Å; K511-I515 VanDerWaalsContact O-CG1 3.27Å; K511-I515 WeakPolarHBondContact O-CG1 3.4Å; K511-I515 PolarHBondContact O-N 3.19Å; L513-I515 VanDerWaalsContact C-N 3.33Å; L513-I515 PolarHBondContact O-N 3.22Å; I515-G517 VanDerWaalsContact C-N 3.3Å; I515-G517 PolarHBondContact O-N 3.11Å; I515-S518 WeakPolarHBondContact O-CA 3.19Å; I515-S518 VanDerWaalsContact O-CB 3.32Å; I515-S518 WeakPolarHBondContact O-CB 3.45Å; I515-S518 PolarHBondContact O-N 3.45Å; I515-D519 PolarHBondContact O-N 2.78Å
516L93.4Very high92.7Very high55 Ų5557.4 Ų57.429%0.28829%0.286SS..Hα-helixtrans-59.1-38.9179.1-68.7171000112.8K512 L513 D519 H520 F531K512-L516 WeakPolarHBondContact O-CG 3.28Å; K512-L516 PolarHBondContact O-N 3.49Å; L513-L516 PolarHBondContact O-N 3.26Å; L516-D519 PolarHBondContact O-N 2.69Å; L516-H520 WeakPolarHBondContact O-CB 3.42Å; L516-H520 PolarHBondContact O-N 3.16Å; L516-F531 HydrophobicContact CB-CE1 3.95Å; L516-F531 HydrophobicContact CB-CZ 4.02Å
517G93.8Very high93Very high0 Ų059.3 Ų59.30%029%0.286CS..Hα-helixtrans-68.2-33.2174.500000113.6L513 I515 F521L513-G517 PolarHBondContact O-N 2.93Å; I515-G517 VanDerWaalsContact C-N 3.3Å; I515-G517 PolarHBondContact O-N 3.11Å; G517-F521 WeakPolarHBondContact O-CB 3.44Å; G517-F521 PolarHBondContact O-N 2.86Å
518S94.5Very high93.2Very high0 Ų057.6 Ų57.60%027%0.274CS..Hα-helixtrans-67.1-44.8172.4-54.90000111.1L514 I515 H520 F521 N522 N554L514-S518 WeakPolarHBondContact O-CB 3.29Å; L514-S518 PolarHBondContact O-N 3.35Å; L514-S518 PolarHBondContact O-OG 3.33Å; I515-S518 WeakPolarHBondContact O-CA 3.19Å; I515-S518 VanDerWaalsContact O-CB 3.32Å; I515-S518 WeakPolarHBondContact O-CB 3.45Å; I515-S518 PolarHBondContact O-N 3.45Å; S518-H520 VanDerWaalsContact C-N 3.33Å; S518-H520 PolarHBondContact O-N 3.17Å; S518-F521 WeakPolarHBondContact O-CB 3.24Å; S518-F521 PolarHBondContact O-N 3.19Å; S518-N522 WeakPolarHBondContact O-CB 3.22Å; S518-N522 PolarHBondContact O-N 2.88Å; S518-N522 PolarHBondContact O-ND2 3.46Å; S518-N554 PolarHBondContact OG-ND2 2.68Å
519D95Very high93.5Very high74 Ų7455.6 Ų55.640%0.39627%0.266SS..Hα-helixtrans-64.3-38.3176.9-63.6-29.8000111.4I515 L516 N522 I523I515-D519 PolarHBondContact O-N 2.78Å; L516-D519 PolarHBondContact O-N 2.69Å; D519-N522 PolarHBondContact O-N 2.9Å; D519-I523 WeakPolarHBondContact O-CG1 3.48Å; D519-I523 PolarHBondContact O-N 3.26Å
520H94.7Very high93.8Very high37 Ų3755.3 Ų55.317%0.17126%0.261CS..Hα-helixtrans-66.5-39.2171.1-77.4-26000113.3L516 S518 I523 K524 F531L516-H520 WeakPolarHBondContact O-CB 3.42Å; L516-H520 PolarHBondContact O-N 3.16Å; S518-H520 VanDerWaalsContact C-N 3.33Å; S518-H520 PolarHBondContact O-N 3.17Å; H520-I523 PolarHBondContact O-N 3.3Å; H520-K524 CarbonylContact O-C 3.37Å; H520-K524 PolarHBondContact O-N 2.92Å; H520-F531 AromaticContact CD2-CD2 3.88Å; H520-F531 AromaticContact CD2-CG 3.83Å
521F96.2Very high94Very high0 Ų052 Ų520%025%0.247CC..Hα-helixtrans-61.9-44.2173.9-175.7-81.6000111.2G517 S518 I523 K524 P525 I529 F550 L551 L557 M561 I562 Y565G517-F521 WeakPolarHBondContact O-CB 3.44Å; G517-F521 PolarHBondContact O-N 2.86Å; S518-F521 WeakPolarHBondContact O-CB 3.24Å; S518-F521 PolarHBondContact O-N 3.19Å; F521-I523 PolarHBondContact O-N 3.4Å; F521-I523 VanDerWaalsContact O-N 3.13Å; F521-K524 CarbonylContact O-C 3.5Å; F521-K524 PolarHBondContact O-N 2.82Å; F521-P525 HydrophobicContact CD1-CG 4.43Å; F521-P525 HydrophobicContact CD2-CB 3.95Å; F521-P525 HydrophobicContact CE1-CB 4.29Å; F521-P525 HydrophobicContact CE1-CG 4.13Å; F521-P525 HydrophobicContact CE2-CB 3.59Å; F521-P525 HydrophobicContact CE2-CG 4.32Å; F521-P525 HydrophobicContact CG-CB 4.42Å; F521-P525 HydrophobicContact CZ-CB 3.77Å; F521-P525 HydrophobicContact CZ-CG 4.06Å; F521-P525 VanDerWaalsContact O-CD 3.25Å; F521-P525 WeakPolarHBondContact O-CD 3.26Å; F521-P525 VanDerWaalsContact O-N 3.14Å; F521-I529 HydrophobicContact CD2-CG1 4.18Å; F521-I529 HydrophobicContact CE2-CD1 4.18Å; F521-I529 HydrophobicContact CE2-CG1 4.27Å; F521-F550 HydrophobicContact CD2-CE1 4.46Å; F521-L551 HydrophobicContact CE1-CD2 4.15Å; F521-L551 HydrophobicContact CE2-CD2 3.66Å; F521-L551 HydrophobicContact CZ-CD2 3.37Å; F521-L557 HydrophobicContact CB-CD2 4.14Å; F521-L557 HydrophobicContact CD1-CD2 3.8Å; F521-L557 HydrophobicContact CG-CD2 4.07Å; F521-M561 HydrophobicContact CD1-CB 4.29Å; F521-M561 HydrophobicContact CE1-CB 3.93Å; F521-I562 HydrophobicContact CE1-CG1 4.27Å; F521-Y565 HydrophobicContact CE2-CD1 4.25Å; F521-Y565 HydrophobicContact CE2-CG 4.48Å; F521-Y565 HydrophobicContact CZ-CD1 4.18Å; F521-Y565 HydrophobicContact CZ-CG 4.3Å
522N94.6Very high94.1Very high40 Ų4051.9 Ų51.921%0.21425%0.246CC..Hα-helixtrans-63-17.4179.6-70.8-18.5000114.1S518 D519 R556 L557 D558S518-N522 WeakPolarHBondContact O-CB 3.22Å; S518-N522 PolarHBondContact O-N 2.88Å; S518-N522 PolarHBondContact O-ND2 3.46Å; D519-N522 PolarHBondContact O-N 2.9Å; N522-R556 PolarHBondContact ND2-O 2.82Å; N522-L557 WeakPolarHBondContact OD1-CA 3.45Å; N522-D558 PolarHBondContact OD1-N 3.39Å
523I94.7Very high94.2Very high130 Ų13045.9 Ų45.967%0.66722%0.22SC*.Hα-helixtrans-100.4-44.6175.2-62.7167.3000111.1D519 H520 F521D519-I523 WeakPolarHBondContact O-CG1 3.48Å; D519-I523 PolarHBondContact O-N 3.26Å; H520-I523 PolarHBondContact O-N 3.3Å; F521-I523 PolarHBondContact O-N 3.4Å; F521-I523 VanDerWaalsContact O-N 3.13Å
524K94.1Very high94.2Very high144 Ų14449.2 Ų49.263%0.62624%0.235SC*.  trans-149.8103.5174.6-72.5-167.1178.4-174.40110.4H520 F521 K526 R527 G528H520-K524 CarbonylContact O-C 3.37Å; H520-K524 PolarHBondContact O-N 2.92Å; F521-K524 CarbonylContact O-C 3.5Å; F521-K524 PolarHBondContact O-N 2.82Å; K524-K526 PolarHBondContact O-N 3.13Å; K524-R527 HydrophobicContact CB-CB 4.14Å; K524-R527 PolarHBondContact O-N 3.39Å; K524-G528 PolarHBondContact O-N 3Å; K524-G528 VanDerWaalsContact O-N 3.13Å
525P94Very high94.2Very high22 Ų2250.8 Ų50.814%0.14324%0.243CC..Hα-helixtrans-47-50.7-175.6-36.439.2000115.4F521 R527 G528 I529 M561 Y565F521-P525 HydrophobicContact CD1-CG 4.43Å; F521-P525 HydrophobicContact CD2-CB 3.95Å; F521-P525 HydrophobicContact CE1-CB 4.29Å; F521-P525 HydrophobicContact CE1-CG 4.13Å; F521-P525 HydrophobicContact CE2-CB 3.59Å; F521-P525 HydrophobicContact CE2-CG 4.32Å; F521-P525 HydrophobicContact CG-CB 4.42Å; F521-P525 HydrophobicContact CZ-CB 3.77Å; F521-P525 HydrophobicContact CZ-CG 4.06Å; F521-P525 VanDerWaalsContact O-CD 3.25Å; F521-P525 WeakPolarHBondContact O-CD 3.26Å; F521-P525 VanDerWaalsContact O-N 3.14Å; P525-R527 VanDerWaalsContact C-N 3.26Å; P525-R527 PolarHBondContact O-N 3.31Å; P525-G528 PolarHBondContact O-N 2.98Å; P525-G528 VanDerWaalsContact O-N 3.1Å; P525-I529 WeakPolarHBondContact O-CG1 3.36Å; P525-I529 PolarHBondContact O-N 3.39Å; P525-M561 HydrophobicContact CG-CB 4.32Å; P525-Y565 HydrophobicContact CB-CD2 3.51Å; P525-Y565 HydrophobicContact CB-CE2 4.27Å; P525-Y565 HydrophobicContact CB-CG 3.76Å; P525-Y565 HydrophobicContact CG-CD2 4.43Å; P525-Y565 HydrophobicContact CG-CG 4.46Å
526K93.5Very high94.1Very high99 Ų9955.9 Ų55.943%0.4327%0.271SS..Hα-helixtrans-58.8-32.8179.3-67.9178.7-179.1169.40112.9K524 T530 Y565 D568 E570K524-K526 PolarHBondContact O-N 3.13Å; K526-T530 PolarHBondContact O-N 2.95Å; K526-T530 PolarHBondContact O-OG1 3.24Å; K526-Y565 HydrophobicContact CG-CE2 4.04Å; K526-D568 IonicContact NZ-OD2 3.99Å; K526-D568 PolarHBondContact NZ-OD2 3.13Å; K526-E570 IonicContact NZ-OE2 3.35Å; K526-E570 PolarHBondContact NZ-OE2 3.1Å
527R93.2Very high94Very high147 Ų14754 Ų5456%0.55526%0.261SS*.Hα-helixtrans-78-35.6175.8-177.9178.1176.3173.21.2112.6K524 P525 I529 T530 F531K524-R527 HydrophobicContact CB-CB 4.14Å; K524-R527 PolarHBondContact O-N 3.39Å; P525-R527 VanDerWaalsContact C-N 3.26Å; P525-R527 PolarHBondContact O-N 3.31Å; R527-I529 VanDerWaalsContact C-N 3.33Å; R527-T530 PolarHBondContact O-OG1 2.97Å; R527-F531 WeakPolarHBondContact O-CB 3.35Å; R527-F531 PolarHBondContact O-N 3.45Å
528G94.2Very high93.9Very high0 Ų054.3 Ų54.30%026%0.262CS..Hα-helixtrans-61-44172.800000111.7K524 P525 F531 L532K524-G528 PolarHBondContact O-N 3Å; K524-G528 VanDerWaalsContact O-N 3.13Å; P525-G528 PolarHBondContact O-N 2.98Å; P525-G528 VanDerWaalsContact O-N 3.1Å; G528-F531 PolarHBondContact O-N 2.94Å; G528-L532 VanDerWaalsContact O-CG 3.28Å; G528-L532 WeakPolarHBondContact O-CG 3.36Å; G528-L532 PolarHBondContact O-N 3.31Å
529I95.1Very high93.6Very high7 Ų758.9 Ų58.94%0.03628%0.284CS..Hα-helixtrans-63.8-49.7177.8-64.4165.7000111.2F521 P525 R527 F531 L532 Q533 L538 L542 L547 Y565F521-I529 HydrophobicContact CD2-CG1 4.18Å; F521-I529 HydrophobicContact CE2-CD1 4.18Å; F521-I529 HydrophobicContact CE2-CG1 4.27Å; P525-I529 WeakPolarHBondContact O-CG1 3.36Å; P525-I529 PolarHBondContact O-N 3.39Å; R527-I529 VanDerWaalsContact C-N 3.33Å; I529-F531 VanDerWaalsContact C-N 3.32Å; I529-F531 PolarHBondContact O-N 3.46Å; I529-L532 PolarHBondContact O-N 3.32Å; I529-Q533 HydrophobicContact CG2-CG 4.39Å; I529-Q533 WeakPolarHBondContact O-CG 3.32Å; I529-Q533 PolarHBondContact O-N 2.9Å; I529-L538 HydrophobicContact CG2-CD1 4.32Å; I529-L542 HydrophobicContact CG2-CD1 3.84Å; I529-L542 HydrophobicContact CG2-CD2 4.18Å; I529-L547 HydrophobicContact CD1-CD1 4.04Å; I529-L547 HydrophobicContact CD1-CD2 3.83Å; I529-L547 HydrophobicContact CG1-CD1 4.02Å; I529-Y565 HydrophobicContact CD1-CE1 3.68Å; I529-Y565 HydrophobicContact CD1-CE2 4.01Å; I529-Y565 WeakPolarHBondContact CD1-OH 3.38Å
530T94.1Very high93.2Very high61 Ų6161.7 Ų61.737%0.37429%0.292SS..Hα-helixtrans-61.7-39.6178.656.20000112.2K526 R527 L532 Q533 E534K526-T530 PolarHBondContact O-N 2.95Å; K526-T530 PolarHBondContact O-OG1 3.24Å; R527-T530 PolarHBondContact O-OG1 2.97Å; T530-L532 PolarHBondContact O-N 3.37Å; T530-Q533 CarbonylContact O-C 3.6Å; T530-Q533 PolarHBondContact O-N 2.75Å; T530-E534 WeakPolarHBondContact O-CB 3.41Å; T530-E534 WeakPolarHBondContact O-CG 3.42Å; T530-E534 PolarHBondContact O-N 2.97Å
531F96Very high92.7Very high32 Ų3265.7 Ų65.714%0.1432%0.322CS..Hα-helixtrans-60.8-44174.6177-91.1000112.3L513 L516 H520 R527 G528 I529 Q533 E534 N535L513-F531 HydrophobicContact CD2-CZ 4.32Å; L516-F531 HydrophobicContact CB-CE1 3.95Å; L516-F531 HydrophobicContact CB-CZ 4.02Å; H520-F531 AromaticContact CD2-CD2 3.88Å; H520-F531 AromaticContact CD2-CG 3.83Å; R527-F531 WeakPolarHBondContact O-CB 3.35Å; R527-F531 PolarHBondContact O-N 3.45Å; G528-F531 PolarHBondContact O-N 2.94Å; I529-F531 VanDerWaalsContact C-N 3.32Å; I529-F531 PolarHBondContact O-N 3.46Å; F531-Q533 VanDerWaalsContact C-N 3.29Å; F531-Q533 PolarHBondContact O-N 3.12Å; F531-E534 PolarHBondContact O-N 3.02Å; F531-E534 VanDerWaalsContact O-N 3.14Å; F531-N535 PolarHBondContact O-N 3.1Å; F531-N535 VanDerWaalsContact O-N 3.16Å; F531-N535 PolarHBondContact O-ND2 3.38Å
532L94.3Very high92.3Very high0 Ų067.8 Ų67.80%033%0.333CS..Hα-helixtrans-66.4-31.6176.7-70.6167.9000112.4L514 G528 I529 T530 D536 I537 L538 F550L514-L532 HydrophobicContact CD1-CD2 4.41Å; G528-L532 VanDerWaalsContact O-CG 3.28Å; G528-L532 WeakPolarHBondContact O-CG 3.36Å; G528-L532 PolarHBondContact O-N 3.31Å; I529-L532 PolarHBondContact O-N 3.32Å; T530-L532 PolarHBondContact O-N 3.37Å; L532-D536 PolarHBondContact O-N 2.72Å; L532-I537 HydrophobicContact CB-CB 4.38Å; L532-I537 HydrophobicContact CD2-CB 3.98Å; L532-I537 HydrophobicContact CD2-CD1 3.95Å; L532-I537 HydrophobicContact CD2-CG1 4.46Å; L532-I537 HydrophobicContact CD2-CG2 3.92Å; L532-I537 PolarHBondContact O-N 2.78Å; L532-L538 HydrophobicContact CB-CB 4.42Å; L532-L538 HydrophobicContact CB-CD1 3.84Å; L532-L538 HydrophobicContact CB-CG 3.96Å; L532-L538 HydrophobicContact CD1-CD1 4.06Å; L532-L538 PolarHBondContact O-N 3.43Å; L532-F550 HydrophobicContact CD1-CD2 4.46Å; L532-F550 HydrophobicContact CD1-CE1 4.03Å; L532-F550 HydrophobicContact CD1-CE2 3.69Å; L532-F550 HydrophobicContact CD1-CZ 3.43Å; L532-F550 VanDerWaalsContact CD1-CZ 3.43Å
533Q94.6Very high92.2Very high23 Ų2368.4 Ų68.411%0.10734%0.336CS..Hα-helixtrans-77.7-20.1171.7-68.7-176.1-69.200113.7I529 T530 F531 L538 Q539 K540 L542I529-Q533 HydrophobicContact CG2-CG 4.39Å; I529-Q533 WeakPolarHBondContact O-CG 3.32Å; I529-Q533 PolarHBondContact O-N 2.9Å; T530-Q533 CarbonylContact O-C 3.6Å; T530-Q533 PolarHBondContact O-N 2.75Å; F531-Q533 VanDerWaalsContact C-N 3.29Å; F531-Q533 PolarHBondContact O-N 3.12Å; Q533-L538 WeakPolarHBondContact CA-O 3.45Å; Q533-L538 HydrophobicContact CG-CB 3.78Å; Q533-Q539 PolarHBondContact NE2-O 3.23Å; Q533-K540 HydrophobicContact CB-CD 4.32Å; Q533-K540 HydrophobicContact CB-CG 3.97Å; Q533-K540 HydrophobicContact CG-CG 4.45Å; Q533-K540 WeakPolarHBondContact O-CD 3.2Å; Q533-K540 WeakPolarHBondContact O-CE 3.43Å; Q533-K540 PolarHBondContact O-NZ 2.71Å; Q533-L542 HydrophobicContact CG-CD1 4.43Å
534E93.7Very high92.2Very high120 Ų12067.2 Ų67.256%0.56132%0.324SS*.Hα-helixtrans-83.7-16.1174.3-76.8157.9-16700112.8T530 F531T530-E534 WeakPolarHBondContact O-CB 3.41Å; T530-E534 WeakPolarHBondContact O-CG 3.42Å; T530-E534 PolarHBondContact O-N 2.97Å; F531-E534 PolarHBondContact O-N 3.02Å; F531-E534 VanDerWaalsContact O-N 3.14Å
535N92.4Very high92.1Very high44 Ų4464.2 Ų64.224%0.23532%0.315CS..THydrogen-bonded Turntrans-117.924.7179.2-65.6-95.4000112.1L513 F531 I537L513-N535 HydrophobicContact CD1-CB 4.26Å; L513-N535 HydrophobicContact CD2-CB 4.19Å; L513-N535 WeakPolarHBondContact CD2-OD1 3.44Å; F531-N535 PolarHBondContact O-N 3.1Å; F531-N535 VanDerWaalsContact O-N 3.16Å; F531-N535 PolarHBondContact O-ND2 3.38Å; N535-I537 PolarHBondContact O-N 2.84Å
536D90.6Very high92.1Very high138 Ų13865.8 Ų65.874%0.73832%0.32SS*.THydrogen-bonded Turntrans49.833.5175.4-57.6-37.7000115.6L532L532-D536 PolarHBondContact O-N 2.72Å
537I90.5Very high92.1Very high16 Ų1661.1 Ų61.18%0.08230%0.3CS..SBendtrans-90-32.5170.3-62.8-170.8000111.4K510 L513 L514 L532 N535K510-I537 HydrophobicContact CG-CD1 4.06Å; K510-I537 HydrophobicContact CG-CG1 4.22Å; L513-I537 HydrophobicContact CB-CD1 3.59Å; L514-I537 HydrophobicContact CB-CD1 4.15Å; L514-I537 HydrophobicContact CD1-CG2 3.93Å; L532-I537 HydrophobicContact CB-CB 4.38Å; L532-I537 HydrophobicContact CD2-CB 3.98Å; L532-I537 HydrophobicContact CD2-CD1 3.95Å; L532-I537 HydrophobicContact CD2-CG1 4.46Å; L532-I537 HydrophobicContact CD2-CG2 3.92Å; L532-I537 PolarHBondContact O-N 2.78Å; N535-I537 PolarHBondContact O-N 2.84Å
538L92Very high92.1Very high7 Ų754.1 Ų54.14%0.03727%0.273CS..SBendtrans-120.9145.9172.4-65.8177.7000110I529 L532 Q533 E546 L547 F550I529-L538 HydrophobicContact CG2-CD1 4.32Å; L532-L538 HydrophobicContact CB-CB 4.42Å; L532-L538 HydrophobicContact CB-CD1 3.84Å; L532-L538 HydrophobicContact CB-CG 3.96Å; L532-L538 HydrophobicContact CD1-CD1 4.06Å; L532-L538 PolarHBondContact O-N 3.43Å; Q533-L538 WeakPolarHBondContact CA-O 3.45Å; Q533-L538 HydrophobicContact CG-CB 3.78Å; L538-E546 WeakPolarHBondContact CA-OE2 3.1Å; L538-E546 HydrophobicContact CD2-CG 3.82Å; L538-L547 HydrophobicContact CD1-CD1 4.17Å; L538-F550 HydrophobicContact CD2-CB 4.44Å
539Q89.3Confident91.9Very high95 Ų9557.4 Ų57.444%0.44429%0.291SS..  trans-66.9153.4-175.3-69.5162.941.500113.3Q533 P541 L542 N543 E546Q533-Q539 PolarHBondContact NE2-O 3.23Å; Q539-P541 CarbonylContact C-O 3.19Å; Q539-P541 CarbonylContact O-C 3.6Å; Q539-P541 VanDerWaalsContact O-O 3.08Å; Q539-L542 WeakPolarHBondContact O-CA 3.15Å; Q539-N543 HydrophobicContact CB-CB 4.18Å; Q539-N543 PolarHBondContact OE1-ND2 2.75Å; Q539-N543 VanDerWaalsContact OE1-ND2 3.09Å; Q539-E546 WeakPolarHBondContact CB-OE2 3.25Å; Q539-E546 WeakPolarHBondContact CG-OE2 3.35Å; Q539-E546 PolarHBondContact N-OE2 3.49Å; Q539-E546 VanDerWaalsContact NE2-CD 3.28Å; Q539-E546 PolarHBondContact NE2-OE1 3.05Å
540K86.5Confident91.7Very high133 Ų13357.5 Ų57.558%0.57829%0.291SS*.SBendtrans-119.7118.6168-83.7172.1164.6149.20109Q533Q533-K540 HydrophobicContact CB-CD 4.32Å; Q533-K540 HydrophobicContact CB-CG 3.97Å; Q533-K540 HydrophobicContact CG-CG 4.45Å; Q533-K540 WeakPolarHBondContact O-CD 3.2Å; Q533-K540 WeakPolarHBondContact O-CE 3.43Å; Q533-K540 PolarHBondContact O-NZ 2.71Å
541P84.4Confident91.7Very high122 Ų12254.7 Ų54.779%0.79227%0.274SS*.SBendcis-63163.5-4.529.8-36.8000112.9Q539 N543Q539-P541 CarbonylContact C-O 3.19Å; Q539-P541 CarbonylContact O-C 3.6Å; Q539-P541 VanDerWaalsContact O-O 3.08Å; P541-N543 PolarHBondContact O-N 2.66Å
542L87.2Confident91.3Very high43 Ų4357.9 Ų57.923%0.22529%0.285CS..PPolyproline II helixtrans-62.2122.4-174.9-176.862.9000111.6I529 Q533 Q539 Y544 L547I529-L542 HydrophobicContact CG2-CD1 3.84Å; I529-L542 HydrophobicContact CG2-CD2 4.18Å; Q533-L542 HydrophobicContact CG-CD1 4.43Å; Q539-L542 WeakPolarHBondContact O-CA 3.15Å; L542-Y544 HydrophobicContact CD2-CD1 4.47Å; L542-Y544 HydrophobicContact CD2-CE1 4.33Å; L542-L547 HydrophobicContact CD1-CB 4.36Å; L542-L547 HydrophobicContact CD1-CD2 4.26Å; L542-L547 HydrophobicContact CD2-CD2 3.94Å; L542-L547 HydrophobicContact CG-CD2 4.42Å
543N92.4Very high90.7Very high53 Ų5361.4 Ų61.428%0.28330%0.301SS..PPolyproline II helixtrans-88.1116.1173.8-176.3-30.4000109.8Q539 P541 D545 E546 L547Q539-N543 HydrophobicContact CB-CB 4.18Å; Q539-N543 PolarHBondContact OE1-ND2 2.75Å; Q539-N543 VanDerWaalsContact OE1-ND2 3.09Å; P541-N543 PolarHBondContact O-N 2.66Å; N543-D545 PolarHBondContact OD1-N 3.37Å; N543-D545 VanDerWaalsContact OD1-N 3.17Å; N543-E546 HydrophobicContact CB-CB 3.82Å; N543-E546 PolarHBondContact O-N 3.25Å; N543-E546 PolarHBondContact OD1-N 3.47Å; N543-L547 PolarHBondContact O-N 2.93Å
544Y93.8Very high90.4Very high106 Ų10660.7 Ų60.742%0.41630%0.298SS..Hα-helixtrans-69.3-33.2-174.4-56.1-52.8000113.5L542 A548 D573 V574 A577L542-Y544 HydrophobicContact CD2-CD1 4.47Å; L542-Y544 HydrophobicContact CD2-CE1 4.33Å; Y544-A548 WeakPolarHBondContact O-CB 3.35Å; Y544-A548 PolarHBondContact O-N 3.49Å; Y544-D573 HydrophobicContact CD1-CB 4.46Å; Y544-D573 HydrophobicContact CD2-CB 3.77Å; Y544-D573 HydrophobicContact CE1-CB 4.39Å; Y544-D573 HydrophobicContact CE2-CB 3.71Å; Y544-D573 HydrophobicContact CG-CB 4.16Å; Y544-V574 HydrophobicContact CD1-CG2 3.83Å; Y544-V574 HydrophobicContact CE1-CG2 4.27Å; Y544-A577 WeakPolarHBondContact O-CB 3.41Å
545D92.6Very high89.9Confident81 Ų8158.6 Ų58.643%0.43330%0.295SS..Hα-helixtrans-72.7-35.3176.4-70.3-60.2000111.6N543 A548 L549N543-D545 PolarHBondContact OD1-N 3.37Å; N543-D545 VanDerWaalsContact OD1-N 3.17Å; D545-A548 PolarHBondContact O-N 3.08Å; D545-L549 WeakPolarHBondContact O-CB 3.22Å; D545-L549 PolarHBondContact O-N 3.41Å
546E92.9Very high89.6Confident55 Ų5560.8 Ų60.826%0.25730%0.3SS..Hα-helixtrans-65.6-44.6172.9-172.6-179.7-118.400111.5L538 Q539 N543 L549 F550L538-E546 WeakPolarHBondContact CA-OE2 3.1Å; L538-E546 HydrophobicContact CD2-CG 3.82Å; Q539-E546 WeakPolarHBondContact CB-OE2 3.25Å; Q539-E546 WeakPolarHBondContact CG-OE2 3.35Å; Q539-E546 PolarHBondContact N-OE2 3.49Å; Q539-E546 VanDerWaalsContact NE2-CD 3.28Å; Q539-E546 PolarHBondContact NE2-OE1 3.05Å; N543-E546 HydrophobicContact CB-CB 3.82Å; N543-E546 PolarHBondContact O-N 3.25Å; N543-E546 PolarHBondContact OD1-N 3.47Å; E546-L549 PolarHBondContact O-N 3.23Å; E546-F550 PolarHBondContact O-N 2.99Å
547L94.6Very high89.6Confident0 Ų054.9 Ų54.90%027%0.268CS..Hα-helixtrans-64.7-41.5174.1178.959.5000111.7I529 L538 L542 N543 L549 F550 L551 Y565 V574I529-L547 HydrophobicContact CD1-CD1 4.04Å; I529-L547 HydrophobicContact CD1-CD2 3.83Å; I529-L547 HydrophobicContact CG1-CD1 4.02Å; L538-L547 HydrophobicContact CD1-CD1 4.17Å; L542-L547 HydrophobicContact CD1-CB 4.36Å; L542-L547 HydrophobicContact CD1-CD2 4.26Å; L542-L547 HydrophobicContact CD2-CD2 3.94Å; L542-L547 HydrophobicContact CG-CD2 4.42Å; N543-L547 PolarHBondContact O-N 2.93Å; L547-L549 VanDerWaalsContact C-N 3.32Å; L547-L549 PolarHBondContact O-N 3.04Å; L547-F550 HydrophobicContact CD1-CD1 3.97Å; L547-F550 PolarHBondContact O-N 3.05Å; L547-L551 HydrophobicContact CD1-CD1 4.33Å; L547-L551 HydrophobicContact CD1-CD2 4.46Å; L547-L551 HydrophobicContact CD1-CG 4.08Å; L547-L551 HydrophobicContact CG-CD1 4.1Å; L547-L551 HydrophobicContact CG-CG 4.31Å; L547-L551 WeakPolarHBondContact O-CB 3.28Å; L547-L551 VanDerWaalsContact O-CG 3.27Å; L547-L551 WeakPolarHBondContact O-CG 3.16Å; L547-L551 PolarHBondContact O-N 2.85Å; L547-Y565 HydrophobicContact CD2-CE1 4.14Å; L547-V574 HydrophobicContact CD2-CG1 3.89Å; L547-V574 HydrophobicContact CD2-CG2 4.09Å; L547-V574 HydrophobicContact CG-CG1 4.2Å
548A93.6Very high89.6Confident0 Ų056.3 Ų56.30%028%0.276CS..Hα-helixtrans-59.2-41.7175.500000112.3Y544 D545 R552 A577 F578 Q581Y544-A548 WeakPolarHBondContact O-CB 3.35Å; Y544-A548 PolarHBondContact O-N 3.49Å; D545-A548 PolarHBondContact O-N 3.08Å; A548-R552 WeakPolarHBondContact O-CB 3.42Å; A548-R552 PolarHBondContact O-N 3.02Å; A548-A577 HydrophobicContact CB-CB 3.92Å; A548-F578 HydrophobicContact CB-CB 4.27Å; A548-Q581 HydrophobicContact CB-CG 3.88Å
549L89.7Confident89.4Confident69 Ų6958 Ų5836%0.36128%0.283SS..Hα-helixtrans-64.9-46.3173.9-166.479000111.4D545 E546 L547 L551 R552 E553D545-L549 WeakPolarHBondContact O-CB 3.22Å; D545-L549 PolarHBondContact O-N 3.41Å; E546-L549 PolarHBondContact O-N 3.23Å; L547-L549 VanDerWaalsContact C-N 3.32Å; L547-L549 PolarHBondContact O-N 3.04Å; L549-L551 PolarHBondContact O-N 3.31Å; L549-R552 PolarHBondContact O-N 3.36Å; L549-R552 VanDerWaalsContact O-N 3.15Å; L549-E553 HydrophobicContact CD1-CG 4.23Å; L549-E553 HydrophobicContact CG-CG 4.31Å; L549-E553 PolarHBondContact O-N 3.21Å
550F91.5Very high89.5Confident9 Ų957.9 Ų57.94%0.03928%0.279CS..Hα-helixtrans-57.2-47176.3166.2-93.3000112.3L514 F521 L532 L538 E546 L547 R552 N554 L557L514-F550 HydrophobicContact CD1-CD2 4.03Å; L514-F550 HydrophobicContact CD1-CE2 3.68Å; F521-F550 HydrophobicContact CD2-CE1 4.46Å; L532-F550 HydrophobicContact CD1-CD2 4.46Å; L532-F550 HydrophobicContact CD1-CE1 4.03Å; L532-F550 HydrophobicContact CD1-CE2 3.69Å; L532-F550 HydrophobicContact CD1-CZ 3.43Å; L532-F550 VanDerWaalsContact CD1-CZ 3.43Å; L538-F550 HydrophobicContact CD2-CB 4.44Å; E546-F550 PolarHBondContact O-N 2.99Å; L547-F550 HydrophobicContact CD1-CD1 3.97Å; L547-F550 PolarHBondContact O-N 3.05Å; F550-R552 PolarHBondContact O-N 3.37Å; F550-N554 HydrophobicContact CD2-CB 4.44Å; F550-N554 HydrophobicContact CE2-CB 4.42Å; F550-N554 WeakPolarHBondContact CE2-ND2 3.27Å; F550-N554 WeakPolarHBondContact O-CB 3.32Å; F550-N554 PolarHBondContact O-N 2.81Å; F550-L557 HydrophobicContact CD1-CD1 4.16Å; F550-L557 HydrophobicContact CE1-CD1 3.72Å; F550-L557 HydrophobicContact CE1-CD2 4.11Å; F550-L557 HydrophobicContact CZ-CD1 4.11Å; F550-L557 HydrophobicContact CZ-CD2 3.91Å
551L93.1Very high89.8Confident3 Ų352.2 Ų52.22%0.01625%0.254CS..Hα-helixtrans-62.2-29178.5-69.6174000112.5F521 L547 L549 L557 I562 Y565 I566 V574 F578F521-L551 HydrophobicContact CE1-CD2 4.15Å; F521-L551 HydrophobicContact CE2-CD2 3.66Å; F521-L551 HydrophobicContact CZ-CD2 3.37Å; L547-L551 HydrophobicContact CD1-CD1 4.33Å; L547-L551 HydrophobicContact CD1-CD2 4.46Å; L547-L551 HydrophobicContact CD1-CG 4.08Å; L547-L551 HydrophobicContact CG-CD1 4.1Å; L547-L551 HydrophobicContact CG-CG 4.31Å; L547-L551 WeakPolarHBondContact O-CB 3.28Å; L547-L551 VanDerWaalsContact O-CG 3.27Å; L547-L551 WeakPolarHBondContact O-CG 3.16Å; L547-L551 PolarHBondContact O-N 2.85Å; L549-L551 PolarHBondContact O-N 3.31Å; L551-L557 HydrophobicContact CD2-CD1 4.16Å; L551-I562 HydrophobicContact CB-CG2 4.42Å; L551-I562 HydrophobicContact CD2-CG1 4.27Å; L551-I562 HydrophobicContact CD2-CG2 4.49Å; L551-I562 VanDerWaalsContact O-CD1 3.27Å; L551-I562 WeakPolarHBondContact O-CD1 3.42Å; L551-Y565 HydrophobicContact CD1-CD1 4.34Å; L551-Y565 HydrophobicContact CD1-CE1 4.48Å; L551-I566 HydrophobicContact CD1-CG2 4Å; L551-V574 HydrophobicContact CD1-CG1 3.95Å; L551-F578 HydrophobicContact CB-CD2 4.03Å; L551-F578 HydrophobicContact CB-CE2 3.89Å; L551-F578 HydrophobicContact CD1-CD2 4.5Å
552R86.8Confident90.2Very high98 Ų9846.6 Ų46.637%0.3722%0.217SC..Hα-helixtrans-92.1-40.6-176-174.7179.4178.5-138.912.1114A548 L549 F550 F578 Q581 F582A548-R552 WeakPolarHBondContact O-CB 3.42Å; A548-R552 PolarHBondContact O-N 3.02Å; L549-R552 PolarHBondContact O-N 3.36Å; L549-R552 VanDerWaalsContact O-N 3.15Å; F550-R552 PolarHBondContact O-N 3.37Å; R552-F578 HydrophobicContact CB-CE2 4.02Å; R552-Q581 PolarHBondContact NH1-O 3.27Å; R552-Q581 PolarHBondContact NH2-O 2.99Å; R552-F582 HydrophobicContact CG-CZ 4.49Å
553E83.6Confident90.4Very high74 Ų7444.5 Ų44.535%0.34621%0.207SC..Hα-helixtrans-88.9-23-174.6-70.3-155.7-176.200114.2L549 P555 Q722L549-E553 HydrophobicContact CD1-CG 4.23Å; L549-E553 HydrophobicContact CG-CG 4.31Å; L549-E553 PolarHBondContact O-N 3.21Å; E553-P555 VanDerWaalsContact O-CD 3.26Å; E553-P555 WeakPolarHBondContact O-CD 3.31Å; E553-Q722 PolarHBondContact OE2-NE2 2.92Å
554N88.2Confident90.4Very high9 Ų946.2 Ų46.25%0.04821%0.213CC..  trans-78.8111.1-174.8-176.7-4.1000112.3Y404 S518 F550 R556 L557Y404-N554 HydrophobicContact CE1-CB 3.92Å; S518-N554 PolarHBondContact OG-ND2 2.68Å; F550-N554 HydrophobicContact CD2-CB 4.44Å; F550-N554 HydrophobicContact CE2-CB 4.42Å; F550-N554 WeakPolarHBondContact CE2-ND2 3.27Å; F550-N554 WeakPolarHBondContact O-CB 3.32Å; F550-N554 PolarHBondContact O-N 2.81Å; N554-R556 PolarHBondContact O-N 3.21Å; N554-R556 WeakPolarHBondContact OD1-CB 3.25Å; N554-R556 PolarHBondContact OD1-N 3.07Å; N554-L557 HydrophobicContact CB-CD1 3.92Å; N554-L557 HydrophobicContact CB-CG 4Å
555P82Confident90.4Very high76 Ų7642 Ų4249%0.49420%0.196SC..THydrogen-bonded Turntrans-76.9-4.8-175.534.4-36.6000113.8E553E553-P555 VanDerWaalsContact O-CD 3.26Å; E553-P555 WeakPolarHBondContact O-CD 3.31Å
556R86.4Confident90.5Very high90 Ų9038.1 Ų38.134%0.3418%0.176SC..THydrogen-bonded Turntrans-91-4-178.8-61.2-174-179.5-124.41.5113.8N522 N554N522-R556 PolarHBondContact ND2-O 2.82Å; N554-R556 PolarHBondContact O-N 3.21Å; N554-R556 WeakPolarHBondContact OD1-CB 3.25Å; N554-R556 PolarHBondContact OD1-N 3.07Å
557L90.8Very high90.5Very high14 Ų1435.8 Ų35.87%0.07317%0.165CC..SBendtrans-83137.4-179-59.6178.9000111.9F521 N522 F550 L551 N554 K559 I562F521-L557 HydrophobicContact CB-CD2 4.14Å; F521-L557 HydrophobicContact CD1-CD2 3.8Å; F521-L557 HydrophobicContact CG-CD2 4.07Å; N522-L557 WeakPolarHBondContact OD1-CA 3.45Å; F550-L557 HydrophobicContact CD1-CD1 4.16Å; F550-L557 HydrophobicContact CE1-CD1 3.72Å; F550-L557 HydrophobicContact CE1-CD2 4.11Å; F550-L557 HydrophobicContact CZ-CD1 4.11Å; F550-L557 HydrophobicContact CZ-CD2 3.91Å; L551-L557 HydrophobicContact CD2-CD1 4.16Å; N554-L557 HydrophobicContact CB-CD1 3.92Å; N554-L557 HydrophobicContact CB-CG 4Å; L557-K559 PolarHBondContact O-N 3.04Å; L557-K559 VanDerWaalsContact O-N 3.17Å; L557-I562 HydrophobicContact CB-CD1 3.84Å; L557-I562 HydrophobicContact CB-CG1 4.12Å; L557-I562 HydrophobicContact CD1-CD1 4.2Å; L557-I562 HydrophobicContact CD1-CG1 4.36Å
558D89.6Confident90.3Very high45 Ų4538.1 Ų38.124%0.24118%0.178CC..  trans-65.9113.7168.11785.6000108.6N522 R560 M561 I562N522-D558 PolarHBondContact OD1-N 3.39Å; D558-R560 PolarHBondContact O-N 2.72Å; D558-R560 VanDerWaalsContact OD1-CB 3.3Å; D558-R560 WeakPolarHBondContact OD1-CB 3.47Å; D558-R560 PolarHBondContact OD1-N 2.81Å; D558-R560 IonicContact OD2-CZ 3.39Å; D558-R560 IonicContact OD2-NE 3.16Å; D558-R560 PolarHBondContact OD2-NE 3.14Å; D558-R560 IonicContact OD2-NH2 3.6Å; D558-R560 PolarHBondContact OD2-NH2 3.43Å; D558-M561 HydrophobicContact CB-CB 4.12Å; D558-M561 HydrophobicContact CB-CG 3.76Å; D558-M561 WeakPolarHBondContact O-CA 3.24Å; D558-M561 WeakPolarHBondContact O-CB 3.46Å; D558-M561 PolarHBondContact O-N 2.82Å; D558-I562 PolarHBondContact O-N 2.97Å
559K88.9Confident90.1Very high44 Ų4447.8 Ų47.819%0.19121%0.214CC..Hα-helixtrans-52.8-27.3176.4-68.3-166.3174.2-172.90112.8L557 G563 E598 A599 F600 R601 I699 Y709L557-K559 PolarHBondContact O-N 3.04Å; L557-K559 VanDerWaalsContact O-N 3.17Å; K559-G563 PolarHBondContact O-N 2.7Å; K559-G563 VanDerWaalsContact O-N 3.14Å; K559-E598 WeakPolarHBondContact CE-O 3.3Å; K559-E598 PolarHBondContact NZ-O 3.4Å; K559-A599 WeakPolarHBondContact CG-O 3.27Å; K559-F600 CarbonylContact O-C 3.43Å; K559-F600 WeakPolarHBondContact O-CA 3.21Å; K559-R601 PolarHBondContact O-N 3.37Å; K559-I699 HydrophobicContact CB-CD1 3.93Å; K559-I699 HydrophobicContact CD-CD1 4.36Å; K559-I699 HydrophobicContact CG-CD1 4.18Å; K559-Y709 PolarHBondContact NZ-OH 3.39Å
560R90.2Very high90.1Very high92 Ų9251.4 Ų51.435%0.34723%0.229SC..Hα-helixtrans-72-42.8172.3-179.3-172.960.199.51.9112.5D558 I562 G563 E564 R601D558-R560 PolarHBondContact O-N 2.72Å; D558-R560 VanDerWaalsContact OD1-CB 3.3Å; D558-R560 WeakPolarHBondContact OD1-CB 3.47Å; D558-R560 PolarHBondContact OD1-N 2.81Å; D558-R560 IonicContact OD2-CZ 3.39Å; D558-R560 IonicContact OD2-NE 3.16Å; D558-R560 PolarHBondContact OD2-NE 3.14Å; D558-R560 IonicContact OD2-NH2 3.6Å; D558-R560 PolarHBondContact OD2-NH2 3.43Å; R560-I562 VanDerWaalsContact C-N 3.29Å; R560-I562 PolarHBondContact O-N 3.38Å; R560-G563 PolarHBondContact O-N 3.3Å; R560-E564 WeakPolarHBondContact CD-OE1 3.37Å; R560-E564 HydrophobicContact CG-CG 4.33Å; R560-E564 WeakPolarHBondContact CG-OE1 3.19Å; R560-E564 IonicContact CZ-OE1 3.58Å; R560-E564 IonicContact NE-OE1 2.91Å; R560-E564 IonicContact NH1-OE1 3.27Å; R560-E564 PolarHBondContact NH1-OE1 2.79Å; R560-E564 IonicContact NH1-OE2 3.83Å; R560-E564 WeakPolarHBondContact O-CB 3.27Å; R560-E564 WeakPolarHBondContact O-CG 3.44Å; R560-E564 PolarHBondContact O-N 3.19Å; R560-R601 HydrophobicContact CB-CB 4.15Å
561M92.6Very high90.1Very high13 Ų1351.7 Ų51.76%0.06423%0.231CC..Hα-helixtrans-64.3-34.4175.2-62.2-74.582.900112.1F521 P525 D558 E564 Y565F521-M561 HydrophobicContact CD1-CB 4.29Å; F521-M561 HydrophobicContact CE1-CB 3.93Å; P525-M561 HydrophobicContact CG-CB 4.32Å; D558-M561 HydrophobicContact CB-CB 4.12Å; D558-M561 HydrophobicContact CB-CG 3.76Å; D558-M561 WeakPolarHBondContact O-CA 3.24Å; D558-M561 WeakPolarHBondContact O-CB 3.46Å; D558-M561 PolarHBondContact O-N 2.82Å; M561-E564 HydrophobicContact CE-CG 4.37Å; M561-E564 WeakPolarHBondContact CE-OE1 3.27Å; M561-E564 WeakPolarHBondContact CE-OE2 3.36Å; M561-Y565 WeakPolarHBondContact O-CB 3.43Å; M561-Y565 PolarHBondContact O-N 3.34Å
562I93.9Very high90.1Very high4 Ų453.7 Ų53.72%0.02124%0.244CC..Hα-helixtrans-60.4-53.5169.6-58.7170.3000110F521 L551 L557 D558 R560 Y565 I566 F578 F600F521-I562 HydrophobicContact CE1-CG1 4.27Å; L551-I562 HydrophobicContact CB-CG2 4.42Å; L551-I562 HydrophobicContact CD2-CG1 4.27Å; L551-I562 HydrophobicContact CD2-CG2 4.49Å; L551-I562 VanDerWaalsContact O-CD1 3.27Å; L551-I562 WeakPolarHBondContact O-CD1 3.42Å; L557-I562 HydrophobicContact CB-CD1 3.84Å; L557-I562 HydrophobicContact CB-CG1 4.12Å; L557-I562 HydrophobicContact CD1-CD1 4.2Å; L557-I562 HydrophobicContact CD1-CG1 4.36Å; D558-I562 PolarHBondContact O-N 2.97Å; R560-I562 VanDerWaalsContact C-N 3.29Å; R560-I562 PolarHBondContact O-N 3.38Å; I562-Y565 PolarHBondContact O-N 3.13Å; I562-I566 HydrophobicContact CG2-CG2 4.32Å; I562-I566 WeakPolarHBondContact O-CG1 3.48Å; I562-I566 PolarHBondContact O-N 3.45Å; I562-F578 HydrophobicContact CG2-CE2 4.46Å; I562-F578 HydrophobicContact CG2-CZ 4.41Å; I562-F600 HydrophobicContact CB-CB 4.05Å; I562-F600 HydrophobicContact CG2-CB 3.79Å
563G91.7Very high90.4Very high0 Ų053.4 Ų53.40%025%0.249CC..Hα-helixtrans-61.6-45.7-177.100000113.8K559 R560 Y565 S567 R601K559-G563 PolarHBondContact O-N 2.7Å; K559-G563 VanDerWaalsContact O-N 3.14Å; R560-G563 PolarHBondContact O-N 3.3Å; G563-Y565 PolarHBondContact O-N 3.19Å; G563-S567 VanDerWaalsContact O-CB 3.27Å; G563-S567 WeakPolarHBondContact O-CB 3.49Å; G563-S567 PolarHBondContact O-N 2.98Å; G563-S567 PolarHBondContact O-OG 2.89Å; G563-R601 WeakPolarHBondContact CA-O 3.5Å
564E91.6Very high90.9Very high89 Ų8950 Ų5042%0.41623%0.234SC..Hα-helixtrans-58-47.2172.9-71.2177-151.300110.3R560 M561 S567R560-E564 WeakPolarHBondContact CD-OE1 3.37Å; R560-E564 HydrophobicContact CG-CG 4.33Å; R560-E564 WeakPolarHBondContact CG-OE1 3.19Å; R560-E564 IonicContact CZ-OE1 3.58Å; R560-E564 IonicContact NE-OE1 2.91Å; R560-E564 IonicContact NH1-OE1 3.27Å; R560-E564 PolarHBondContact NH1-OE1 2.79Å; R560-E564 IonicContact NH1-OE2 3.83Å; R560-E564 WeakPolarHBondContact O-CB 3.27Å; R560-E564 WeakPolarHBondContact O-CG 3.44Å; R560-E564 PolarHBondContact O-N 3.19Å; M561-E564 HydrophobicContact CE-CG 4.37Å; M561-E564 WeakPolarHBondContact CE-OE1 3.27Å; M561-E564 WeakPolarHBondContact CE-OE2 3.36Å; E564-S567 PolarHBondContact O-N 2.85Å; E564-S567 PolarHBondContact O-OG 3.14Å
565Y94.7Very high91.3Very high16 Ų1649.6 Ų49.66%0.06323%0.232CC..Hα-helixtrans-66.8-47.2-177.9-179.2-109000114.3F521 P525 K526 I529 L547 L551 M561 I562 G563 S567 D568 N571 V574F521-Y565 HydrophobicContact CE2-CD1 4.25Å; F521-Y565 HydrophobicContact CE2-CG 4.48Å; F521-Y565 HydrophobicContact CZ-CD1 4.18Å; F521-Y565 HydrophobicContact CZ-CG 4.3Å; P525-Y565 HydrophobicContact CB-CD2 3.51Å; P525-Y565 HydrophobicContact CB-CE2 4.27Å; P525-Y565 HydrophobicContact CB-CG 3.76Å; P525-Y565 HydrophobicContact CG-CD2 4.43Å; P525-Y565 HydrophobicContact CG-CG 4.46Å; K526-Y565 HydrophobicContact CG-CE2 4.04Å; I529-Y565 HydrophobicContact CD1-CE1 3.68Å; I529-Y565 HydrophobicContact CD1-CE2 4.01Å; I529-Y565 WeakPolarHBondContact CD1-OH 3.38Å; L547-Y565 HydrophobicContact CD2-CE1 4.14Å; L551-Y565 HydrophobicContact CD1-CD1 4.34Å; L551-Y565 HydrophobicContact CD1-CE1 4.48Å; M561-Y565 WeakPolarHBondContact O-CB 3.43Å; M561-Y565 PolarHBondContact O-N 3.34Å; I562-Y565 PolarHBondContact O-N 3.13Å; G563-Y565 PolarHBondContact O-N 3.19Å; Y565-S567 PolarHBondContact O-N 3.44Å; Y565-D568 WeakPolarHBondContact O-CB 3.44Å; Y565-D568 PolarHBondContact O-N 3.04Å; Y565-N571 VanDerWaalsContact CD2-ND2 3.31Å; Y565-N571 WeakPolarHBondContact CD2-ND2 3.31Å; Y565-N571 WeakPolarHBondContact CE2-ND2 3.41Å; Y565-N571 WeakPolarHBondContact CE2-OD1 3.27Å; Y565-N571 PolarHBondContact O-ND2 3.39Å; Y565-N571 PolarHBondContact OH-OD1 3.42Å; Y565-N571 VanDerWaalsContact OH-OD1 3.05Å; Y565-V574 HydrophobicContact CE1-CG1 4.25Å
566I94.9Very high91.9Very high0 Ų047.8 Ų47.80%022%0.219CC..Hα-helixtrans-71.3-19.3-18069.6-179.5000112.8L551 I562 L575 F578 F600L551-I566 HydrophobicContact CD1-CG2 4Å; I562-I566 HydrophobicContact CG2-CG2 4.32Å; I562-I566 WeakPolarHBondContact O-CG1 3.48Å; I562-I566 PolarHBondContact O-N 3.45Å; I566-L575 HydrophobicContact CB-CD1 4.21Å; I566-L575 HydrophobicContact CD1-CD1 4.09Å; I566-L575 HydrophobicContact CG1-CD1 4.2Å; I566-F578 HydrophobicContact CD1-CD1 3.96Å; I566-F578 HydrophobicContact CD1-CE1 3.97Å; I566-F600 HydrophobicContact CD1-CD1 4Å; I566-F600 HydrophobicContact CD1-CD2 4.05Å; I566-F600 HydrophobicContact CD1-CE1 4.22Å; I566-F600 HydrophobicContact CD1-CE2 4.26Å; I566-F600 HydrophobicContact CD1-CG 3.93Å; I566-F600 HydrophobicContact CD1-CZ 4.35Å
567S91.9Very high92.2Very high6 Ų643.7 Ų43.74%0.04221%0.205CC..Hα-helixtrans-75.5-29.4177.477.10000113.8G563 E564 Y565 R611G563-S567 VanDerWaalsContact O-CB 3.27Å; G563-S567 WeakPolarHBondContact O-CB 3.49Å; G563-S567 PolarHBondContact O-N 2.98Å; G563-S567 PolarHBondContact O-OG 2.89Å; E564-S567 PolarHBondContact O-N 2.85Å; E564-S567 PolarHBondContact O-OG 3.14Å; Y565-S567 PolarHBondContact O-N 3.44Å; S567-R611 PolarHBondContact O-NE 3.26Å
568D91.6Very high92.5Very high50 Ų5043 Ų4327%0.26720%0.201SC..SBendtrans-53.9138.1-178-178.8-2.4000111.1K526 Y565 E570 N571 R611K526-D568 IonicContact NZ-OD2 3.99Å; K526-D568 PolarHBondContact NZ-OD2 3.13Å; Y565-D568 WeakPolarHBondContact O-CB 3.44Å; Y565-D568 PolarHBondContact O-N 3.04Å; D568-E570 PolarHBondContact O-N 3.43Å; D568-E570 PolarHBondContact OD1-N 3.37Å; D568-E570 VanDerWaalsContact OD1-N 3.08Å; D568-N571 WeakPolarHBondContact CB-ND2 3.46Å; D568-N571 PolarHBondContact O-N 2.68Å; D568-N571 VanDerWaalsContact O-N 3.11Å; D568-R611 PolarHBondContact O-NH2 3.4Å
569R88.3Confident92.7Very high203 Ų20341 Ų4177%0.76619%0.191SC*.G310 helixtrans-62-30.7-179.1-64.9-175.2179.4-144.1-2.3112N571 T572R569-N571 VanDerWaalsContact C-N 3.27Å; R569-N571 PolarHBondContact O-N 3.25Å; R569-T572 PolarHBondContact O-OG1 3.13Å
570E89.6Confident92.9Very high144 Ų14446.5 Ų46.567%0.67321%0.21SC*.G310 helixtrans-67.9-23.9177.2-66.3-178.8-171.300113.1K526 D568K526-E570 IonicContact NZ-OE2 3.35Å; K526-E570 PolarHBondContact NZ-OE2 3.1Å; D568-E570 PolarHBondContact O-N 3.43Å; D568-E570 PolarHBondContact OD1-N 3.37Å; D568-E570 VanDerWaalsContact OD1-N 3.08Å
571N92.5Very high92.9Very high15 Ų1544.3 Ų44.38%0.0820%0.204CC..G310 helixtrans-104.629.3-172.4-55.1-48.8000113.4Y565 D568 R569 D573 V574 L575Y565-N571 VanDerWaalsContact CD2-ND2 3.31Å; Y565-N571 WeakPolarHBondContact CD2-ND2 3.31Å; Y565-N571 WeakPolarHBondContact CE2-ND2 3.41Å; Y565-N571 WeakPolarHBondContact CE2-OD1 3.27Å; Y565-N571 PolarHBondContact O-ND2 3.39Å; Y565-N571 PolarHBondContact OH-OD1 3.42Å; Y565-N571 VanDerWaalsContact OH-OD1 3.05Å; D568-N571 WeakPolarHBondContact CB-ND2 3.46Å; D568-N571 PolarHBondContact O-N 2.68Å; D568-N571 VanDerWaalsContact O-N 3.11Å; R569-N571 VanDerWaalsContact C-N 3.27Å; R569-N571 PolarHBondContact O-N 3.25Å; N571-D573 VanDerWaalsContact C-N 3.34Å; N571-D573 PolarHBondContact O-N 3.45Å; N571-V574 HydrophobicContact CB-CB 4.21Å; N571-V574 HydrophobicContact CB-CG2 4.11Å; N571-V574 WeakPolarHBondContact O-CB 3.39Å; N571-V574 PolarHBondContact O-N 2.77Å; N571-L575 PolarHBondContact O-N 3.08Å; N571-L575 VanDerWaalsContact O-N 3.08Å
572T92.3Very high92.8Very high45 Ų4544 Ų4428%0.27620%0.202SC..Hα-helixtrans-56.7-44-175.9-53.10000112.6R569 V574 L575 T576 R611R569-T572 PolarHBondContact O-OG1 3.13Å; T572-V574 VanDerWaalsContact C-N 3.26Å; T572-V574 PolarHBondContact O-N 3.41Å; T572-L575 WeakPolarHBondContact O-CB 3.44Å; T572-L575 PolarHBondContact O-N 2.89Å; T572-L575 VanDerWaalsContact O-N 3.15Å; T572-T576 PolarHBondContact O-N 2.97Å; T572-T576 PolarHBondContact O-OG1 2.84Å; T572-R611 PolarHBondContact OG1-NH1 3.21Å; T572-R611 PolarHBondContact OG1-NH2 3.41Å
573D93.3Very high92.6Very high92 Ų9248.4 Ų48.449%0.49223%0.226SC..Hα-helixtrans-64.7-31.2178.8-53.2-75.6000112.7Y544 N571 A577Y544-D573 HydrophobicContact CD1-CB 4.46Å; Y544-D573 HydrophobicContact CD2-CB 3.77Å; Y544-D573 HydrophobicContact CE1-CB 4.39Å; Y544-D573 HydrophobicContact CE2-CB 3.71Å; Y544-D573 HydrophobicContact CG-CB 4.16Å; N571-D573 VanDerWaalsContact C-N 3.34Å; N571-D573 PolarHBondContact O-N 3.45Å; D573-A577 WeakPolarHBondContact O-CB 3.44Å; D573-A577 PolarHBondContact O-N 3.27Å
574V94.8Very high92.6Very high3 Ų348.6 Ų48.62%0.01823%0.227CC..Hα-helixtrans-68.8-41.4174.1-170.50000110.8Y544 L547 L551 Y565 N571 T572 A577 F578Y544-V574 HydrophobicContact CD1-CG2 3.83Å; Y544-V574 HydrophobicContact CE1-CG2 4.27Å; L547-V574 HydrophobicContact CD2-CG1 3.89Å; L547-V574 HydrophobicContact CD2-CG2 4.09Å; L547-V574 HydrophobicContact CG-CG1 4.2Å; L551-V574 HydrophobicContact CD1-CG1 3.95Å; Y565-V574 HydrophobicContact CE1-CG1 4.25Å; N571-V574 HydrophobicContact CB-CB 4.21Å; N571-V574 HydrophobicContact CB-CG2 4.11Å; N571-V574 WeakPolarHBondContact O-CB 3.39Å; N571-V574 PolarHBondContact O-N 2.77Å; T572-V574 VanDerWaalsContact C-N 3.26Å; T572-V574 PolarHBondContact O-N 3.41Å; V574-A577 PolarHBondContact O-N 2.73Å; V574-F578 WeakPolarHBondContact O-CB 3.35Å; V574-F578 PolarHBondContact O-N 3.39Å
575L95.1Very high92.6Very high0 Ų048.5 Ų48.50%023%0.232CC..Hα-helixtrans-61.8-45.8175.3179.561.5000110.9I566 N571 T572 A577 F578 V579 R611 I612 H615I566-L575 HydrophobicContact CB-CD1 4.21Å; I566-L575 HydrophobicContact CD1-CD1 4.09Å; I566-L575 HydrophobicContact CG1-CD1 4.2Å; N571-L575 PolarHBondContact O-N 3.08Å; N571-L575 VanDerWaalsContact O-N 3.08Å; T572-L575 WeakPolarHBondContact O-CB 3.44Å; T572-L575 PolarHBondContact O-N 2.89Å; T572-L575 VanDerWaalsContact O-N 3.15Å; L575-A577 PolarHBondContact O-N 2.89Å; L575-F578 PolarHBondContact O-N 3.35Å; L575-V579 HydrophobicContact CD1-CG2 4.31Å; L575-V579 WeakPolarHBondContact O-CG2 3.49Å; L575-V579 PolarHBondContact O-N 2.92Å; L575-R611 HydrophobicContact CD2-CG 4.09Å; L575-I612 HydrophobicContact CD1-CG1 4.43Å; L575-H615 HydrophobicContact CD2-CB 4.44Å; L575-H615 HydrophobicContact CG-CB 4.42Å
576T94.2Very high92.2Very high38 Ų3851 Ų5123%0.23326%0.262CS..Hα-helixtrans-61.4-43.8176.6-53.10000112.1T572 R580T572-T576 PolarHBondContact O-N 2.97Å; T572-T576 PolarHBondContact O-OG1 2.84Å; T576-R580 VanDerWaalsContact O-CG 3.3Å; T576-R580 WeakPolarHBondContact O-CG 3.14Å; T576-R580 PolarHBondContact O-N 2.95Å
577A94.4Very high92Very high4 Ų452.8 Ų52.83%0.03327%0.273CS..Hα-helixtrans-66.1-38.7175.100000112.4Y544 A548 D573 V574 L575 R580 Q581Y544-A577 WeakPolarHBondContact O-CB 3.41Å; A548-A577 HydrophobicContact CB-CB 3.92Å; D573-A577 WeakPolarHBondContact O-CB 3.44Å; D573-A577 PolarHBondContact O-N 3.27Å; V574-A577 PolarHBondContact O-N 2.73Å; L575-A577 PolarHBondContact O-N 2.89Å; A577-R580 PolarHBondContact O-N 3.49Å; A577-Q581 WeakPolarHBondContact O-CG 3.3Å; A577-Q581 PolarHBondContact O-N 3.44Å
578F95.4Very high91.9Very high0 Ų055 Ų550%029%0.287CS..Hα-helixtrans-65.2-45.1178.8-175.2-97.6000112.4A548 L551 R552 I562 I566 V574 L575 R580 Q581 F582 Y596 A599 F600A548-F578 HydrophobicContact CB-CB 4.27Å; L551-F578 HydrophobicContact CB-CD2 4.03Å; L551-F578 HydrophobicContact CB-CE2 3.89Å; L551-F578 HydrophobicContact CD1-CD2 4.5Å; R552-F578 HydrophobicContact CB-CE2 4.02Å; I562-F578 HydrophobicContact CG2-CE2 4.46Å; I562-F578 HydrophobicContact CG2-CZ 4.41Å; I566-F578 HydrophobicContact CD1-CD1 3.96Å; I566-F578 HydrophobicContact CD1-CE1 3.97Å; V574-F578 WeakPolarHBondContact O-CB 3.35Å; V574-F578 PolarHBondContact O-N 3.39Å; L575-F578 PolarHBondContact O-N 3.35Å; F578-R580 VanDerWaalsContact C-N 3.32Å; F578-R580 PolarHBondContact O-N 3.17Å; F578-Q581 WeakPolarHBondContact O-CB 3.42Å; F578-Q581 PolarHBondContact O-N 3.3Å; F578-F582 HydrophobicContact CD1-CE2 4.13Å; F578-F582 AromaticContact CE1-CE2 3.82Å; F578-F582 HydrophobicContact CE1-CE2 3.82Å; F578-F582 HydrophobicContact CE1-CZ 4.18Å; F578-F582 HydrophobicContact CZ-CE2 4.17Å; F578-F582 HydrophobicContact CZ-CZ 4.27Å; F578-F582 VanDerWaalsContact O-CD2 3.32Å; F578-F582 WeakPolarHBondContact O-CD2 3.16Å; F578-F582 WeakPolarHBondContact O-CE2 3.36Å; F578-Y596 HydrophobicContact CD1-CE2 4.21Å; F578-Y596 HydrophobicContact CE1-CE2 4.16Å; F578-A599 HydrophobicContact CZ-CB 3.9Å; F578-F600 AromaticContact CE1-CD1 3.65Å; F578-F600 HydrophobicContact CE1-CD1 3.65Å; F578-F600 AromaticContact CE1-CE1 3.93Å; F578-F600 HydrophobicContact CE1-CE1 3.93Å; F578-F600 HydrophobicContact CZ-CD1 4.06Å
579V95Very high92Very high4 Ų452.8 Ų52.82%0.02428%0.275CS..Hα-helixtrans-61.1-40.4175.6172.50000111.4L575 Q581 F582 Y596 H615 H619L575-V579 HydrophobicContact CD1-CG2 4.31Å; L575-V579 WeakPolarHBondContact O-CG2 3.49Å; L575-V579 PolarHBondContact O-N 2.92Å; V579-Q581 PolarHBondContact O-N 2.99Å; V579-Q581 VanDerWaalsContact O-N 3.17Å; V579-F582 WeakPolarHBondContact O-CD2 3.5Å; V579-F582 PolarHBondContact O-N 3.28Å; V579-F582 VanDerWaalsContact O-N 3.08Å; V579-Y596 HydrophobicContact CG2-CE2 3.75Å; V579-Y596 VanDerWaalsContact CG2-OH 3.27Å; V579-Y596 WeakPolarHBondContact CG2-OH 3.3Å; V579-H615 HydrophobicContact CG2-CB 4.1Å; V579-H619 HydrophobicContact CG1-CB 3.36Å; V579-H619 PolarHBondContact O-CD2 2.95Å; V579-H619 VanDerWaalsContact O-CD2 3.32Å; V579-H619 PolarHBondContact O-NE2 3.15Å
580R92.6Very high92.2Very high158 Ų15843.2 Ų43.260%0.59624%0.24SC*.Hα-helixtrans-62.4-20.6178.1-73.6170.8-176.4168.74.2114.6T576 A577 F578 F582T576-R580 VanDerWaalsContact O-CG 3.3Å; T576-R580 WeakPolarHBondContact O-CG 3.14Å; T576-R580 PolarHBondContact O-N 2.95Å; A577-R580 PolarHBondContact O-N 3.49Å; F578-R580 VanDerWaalsContact C-N 3.32Å; F578-R580 PolarHBondContact O-N 3.17Å; R580-F582 PolarHBondContact O-N 2.88Å
581Q91Very high92.3Very high46 Ų4638.9 Ų38.922%0.21522%0.219CC..THydrogen-bonded Turntrans-66-19.2174.9-59.1-57.1-42.700112.8A548 R552 A577 F578 V579A548-Q581 HydrophobicContact CB-CG 3.88Å; R552-Q581 PolarHBondContact NH1-O 3.27Å; R552-Q581 PolarHBondContact NH2-O 2.99Å; A577-Q581 WeakPolarHBondContact O-CG 3.3Å; A577-Q581 PolarHBondContact O-N 3.44Å; F578-Q581 WeakPolarHBondContact O-CB 3.42Å; F578-Q581 PolarHBondContact O-N 3.3Å; V579-Q581 PolarHBondContact O-N 2.99Å; V579-Q581 VanDerWaalsContact O-N 3.17Å
582F90.9Very high92.3Very high7 Ų738.2 Ų38.23%0.03122%0.216CC..SBendtrans-90.5122.7-179.5-62.5-97.8000110.9R552 F578 V579 R580 F584 V595 Y596 A599 H619R552-F582 HydrophobicContact CG-CZ 4.49Å; F578-F582 HydrophobicContact CD1-CE2 4.13Å; F578-F582 AromaticContact CE1-CE2 3.82Å; F578-F582 HydrophobicContact CE1-CE2 3.82Å; F578-F582 HydrophobicContact CE1-CZ 4.18Å; F578-F582 HydrophobicContact CZ-CE2 4.17Å; F578-F582 HydrophobicContact CZ-CZ 4.27Å; F578-F582 VanDerWaalsContact O-CD2 3.32Å; F578-F582 WeakPolarHBondContact O-CD2 3.16Å; F578-F582 WeakPolarHBondContact O-CE2 3.36Å; V579-F582 WeakPolarHBondContact O-CD2 3.5Å; V579-F582 PolarHBondContact O-N 3.28Å; V579-F582 VanDerWaalsContact O-N 3.08Å; R580-F582 PolarHBondContact O-N 2.88Å; F582-F584 HydrophobicContact CB-CD1 4.17Å; F582-F584 HydrophobicContact CB-CE1 3.54Å; F582-F584 HydrophobicContact CB-CE2 3.99Å; F582-F584 HydrophobicContact CB-CZ 3.41Å; F582-F584 VanDerWaalsContact CB-CZ 3.41Å; F582-F584 HydrophobicContact CD1-CE1 4.33Å; F582-F584 HydrophobicContact CD1-CZ 4.43Å; F582-F584 HydrophobicContact CG-CE1 4.23Å; F582-F584 HydrophobicContact CG-CZ 4.01Å; F582-F584 PolarHBondContact O-N 3.28Å; F582-V595 HydrophobicContact CD1-CG1 4.16Å; F582-V595 HydrophobicContact CE1-CG1 4.35Å; F582-V595 WeakPolarHBondContact CE1-O 3.29Å; F582-Y596 AromaticContact CD2-CD2 3.98Å; F582-Y596 HydrophobicContact CD2-CD2 3.98Å; F582-Y596 HydrophobicContact CD2-CE2 4.45Å; F582-Y596 HydrophobicContact CE1-CD2 4.42Å; F582-Y596 AromaticContact CE2-CD2 3.83Å; F582-Y596 HydrophobicContact CE2-CD2 3.83Å; F582-Y596 HydrophobicContact CE2-CE2 4.21Å; F582-Y596 HydrophobicContact CG-CD2 4.36Å; F582-Y596 HydrophobicContact CZ-CD2 4.06Å; F582-A599 HydrophobicContact CE1-CB 4.38Å; F582-A599 HydrophobicContact CZ-CB 3.78Å; F582-H619 PolarHBondContact O-NE2 2.97Å
583N89.5Confident92.3Very high96 Ų9636 Ų3651%0.51320%0.202SC..  trans-86.5106171.5-179.25.1000109.1V585N583-V585 WeakPolarHBondContact OD1-CB 3.35Å; N583-V585 WeakPolarHBondContact OD1-CG2 3.38Å; N583-V585 PolarHBondContact OD1-N 3.26Å; N583-V585 VanDerWaalsContact OD1-N 3.11Å
584F91.3Very high92.2Very high4 Ų433.7 Ų33.72%0.01819%0.186CC..  trans-100.45.4177.5-60.4-41.6000113.9F582 G586 V587 A592 Y596 F616 H619 W620 N624F582-F584 HydrophobicContact CB-CD1 4.17Å; F582-F584 HydrophobicContact CB-CE1 3.54Å; F582-F584 HydrophobicContact CB-CE2 3.99Å; F582-F584 HydrophobicContact CB-CZ 3.41Å; F582-F584 VanDerWaalsContact CB-CZ 3.41Å; F582-F584 HydrophobicContact CD1-CE1 4.33Å; F582-F584 HydrophobicContact CD1-CZ 4.43Å; F582-F584 HydrophobicContact CG-CE1 4.23Å; F582-F584 HydrophobicContact CG-CZ 4.01Å; F582-F584 PolarHBondContact O-N 3.28Å; F584-G586 PolarHBondContact O-N 3.39Å; F584-G586 VanDerWaalsContact O-N 3.14Å; F584-V587 PolarHBondContact O-N 2.69Å; F584-A592 HydrophobicContact CD1-CB 3.56Å; F584-A592 HydrophobicContact CE1-CB 3.87Å; F584-A592 HydrophobicContact CG-CB 4.13Å; F584-Y596 HydrophobicContact CZ-CD2 4.49Å; F584-Y596 HydrophobicContact CZ-CG 4.43Å; F584-F616 HydrophobicContact CD2-CE2 4.45Å; F584-F616 HydrophobicContact CE1-CE2 4.12Å; F584-F616 AromaticContact CE2-CD2 3.7Å; F584-F616 HydrophobicContact CE2-CD2 3.7Å; F584-F616 AromaticContact CE2-CE2 3.72Å; F584-F616 HydrophobicContact CE2-CE2 3.72Å; F584-F616 AromaticContact CZ-CD2 3.7Å; F584-F616 HydrophobicContact CZ-CD2 3.7Å; F584-F616 AromaticContact CZ-CE2 3.55Å; F584-F616 HydrophobicContact CZ-CE2 3.55Å; F584-H619 AromaticContact CD2-CD2 3.52Å; F584-H619 AromaticContact CE2-CD2 3.63Å; F584-W620 HydrophobicContact CD2-CB 4.11Å; F584-N624 PolarHBondContact O-ND2 3.21Å; F584-N624 PolarHBondContact O-OD1 3.32Å
585V90.6Very high91.8Very high88 Ų8835.9 Ų35.953%0.53320%0.2SC..THydrogen-bonded Turntrans-64.2114.9-177.1-179.90000110.2N583 V587N583-V585 WeakPolarHBondContact OD1-CB 3.35Å; N583-V585 WeakPolarHBondContact OD1-CG2 3.38Å; N583-V585 PolarHBondContact OD1-N 3.26Å; N583-V585 VanDerWaalsContact OD1-N 3.11Å; V585-V587 VanDerWaalsContact C-N 3.32Å
586G88Confident91.6Very high67 Ų6735.9 Ų35.969%0.69120%0.2SC*.THydrogen-bonded Turntrans77.211.2-177.300000114.8F584 N624F584-G586 PolarHBondContact O-N 3.39Å; F584-G586 VanDerWaalsContact O-N 3.14Å; G586-N624 PolarHBondContact N-OD1 3.36Å
587V88.9Confident91.4Very high38 Ų3834.3 Ų34.323%0.2319%0.19CC..  trans-99.6122.8-178.8-172.20000110.2F584 V585 E591 A592 W620F584-V587 PolarHBondContact O-N 2.69Å; V585-V587 VanDerWaalsContact C-N 3.32Å; V587-E591 HydrophobicContact CG1-CB 4.36Å; V587-A592 HydrophobicContact CB-CB 4.33Å; V587-A592 HydrophobicContact CG1-CB 3.89Å; V587-W620 PolarHBondContact O-NE1 2.8Å
588P91.6Very high90.9Very high52 Ų5235.6 Ų35.634%0.33820%0.195SC..  trans-52.3144.2174.2-28.136.5000112.8D590 E591 A592P588-D590 VanDerWaalsContact C-N 3.28Å; P588-D590 WeakPolarHBondContact CB-OD1 3.43Å; P588-D590 PolarHBondContact O-N 3.3Å; P588-E591 PolarHBondContact O-N 3.26Å; P588-A592 VanDerWaalsContact O-CB 3.31Å; P588-A592 WeakPolarHBondContact O-CB 3.1Å; P588-A592 PolarHBondContact O-N 2.93Å
589I93Very high90.5Very high4 Ų436.5 Ų36.52%0.02120%0.203CC..Hα-helixtrans-62.4-31.7-171.5-169.7165.3000113.5L593 F616 W620 F628 A634 L637 A638 I641 I686I589-L593 WeakPolarHBondContact O-CB 3.49Å; I589-L593 PolarHBondContact O-N 3.44Å; I589-F616 HydrophobicContact CD1-CE1 4.39Å; I589-F616 HydrophobicContact CG1-CE1 4.02Å; I589-F616 HydrophobicContact CG1-CZ 4.17Å; I589-W620 HydrophobicContact CB-CD2 4.23Å; I589-W620 HydrophobicContact CB-CZ2 4.05Å; I589-W620 HydrophobicContact CD1-CD2 4.24Å; I589-W620 HydrophobicContact CD1-CE3 4.28Å; I589-W620 HydrophobicContact CG1-CD2 4.22Å; I589-W620 HydrophobicContact CG1-CG 4.38Å; I589-F628 HydrophobicContact CB-CE2 4.27Å; I589-F628 HydrophobicContact CD1-CE2 3.81Å; I589-F628 HydrophobicContact CG2-CE2 4.19Å; I589-F628 HydrophobicContact CG2-CZ 4.05Å; I589-A634 HydrophobicContact CD1-CB 4.28Å; I589-A634 WeakPolarHBondContact CD1-O 3.46Å; I589-L637 HydrophobicContact CG2-CD2 3.89Å; I589-L637 HydrophobicContact CG2-CG 4.36Å; I589-A638 HydrophobicContact CD1-CB 4.34Å; I589-I641 HydrophobicContact CG2-CD1 4.05Å; I589-I686 HydrophobicContact CG2-CD1 4.03Å
590D92.5Very high90.3Very high3 Ų336.3 Ų36.32%0.01620%0.202CC..Hα-helixtrans-68.4-42.5175.858.1-39.8000112.6P588 R594 I641 I686 N689 I690P588-D590 VanDerWaalsContact C-N 3.28Å; P588-D590 WeakPolarHBondContact CB-OD1 3.43Å; P588-D590 PolarHBondContact O-N 3.3Å; D590-R594 WeakPolarHBondContact O-CB 3.28Å; D590-R594 PolarHBondContact O-N 2.94Å; D590-I641 HydrophobicContact CB-CD1 4.17Å; D590-I686 HydrophobicContact CB-CG1 4.26Å; D590-I686 HydrophobicContact CB-CG2 4.27Å; D590-N689 VanDerWaalsContact OD2-CB 3.31Å; D590-N689 WeakPolarHBondContact OD2-CB 3.46Å; D590-N689 PolarHBondContact OD2-ND2 3.09Å; D590-I690 HydrophobicContact CB-CD1 4.47Å
591E90.9Very high90Very high53 Ų5333.3 Ų33.325%0.24819%0.19CC..Hα-helixtrans-78.3-33.1176.6-169.962.3-168.700112.2M235 V587 P588 R594 V595M235-E591 HydrophobicContact CE-CG 4.17Å; V587-E591 HydrophobicContact CG1-CB 4.36Å; P588-E591 PolarHBondContact O-N 3.26Å; E591-R594 WeakPolarHBondContact O-CB 3.36Å; E591-R594 PolarHBondContact O-N 3.35Å; E591-R594 WeakPolarHBondContact OE2-CD 3.49Å; E591-R594 IonicContact OE2-CZ 2.65Å; E591-R594 IonicContact OE2-NE 3.47Å; E591-R594 PolarHBondContact OE2-NE 2.85Å; E591-V595 WeakPolarHBondContact O-CG2 3.47Å; E591-V595 PolarHBondContact O-N 3.35Å
592A92.6Very high89.8Confident0 Ų033.5 Ų33.50%019%0.193CC..Hα-helixtrans-61.5-45.3170.700000111.2F584 V587 P588 V595 Y596 F616 W620F584-A592 HydrophobicContact CD1-CB 3.56Å; F584-A592 HydrophobicContact CE1-CB 3.87Å; F584-A592 HydrophobicContact CG-CB 4.13Å; V587-A592 HydrophobicContact CB-CB 4.33Å; V587-A592 HydrophobicContact CG1-CB 3.89Å; P588-A592 VanDerWaalsContact O-CB 3.31Å; P588-A592 WeakPolarHBondContact O-CB 3.1Å; P588-A592 PolarHBondContact O-N 2.93Å; A592-V595 PolarHBondContact O-N 3.41Å; A592-Y596 WeakPolarHBondContact O-CB 3.47Å; A592-Y596 PolarHBondContact O-N 3.05Å; A592-F616 HydrophobicContact CB-CE2 4.13Å; A592-F616 HydrophobicContact CB-CZ 4.08Å; A592-W620 VanDerWaalsContact CB-CD1 3.46Å
593L92.7Very high89.7Confident0 Ų033.8 Ų33.80%020%0.195CC..Hα-helixtrans-63.9-41.8175.4-176.864.1000111I589 Y596 L597 I613 F616 A638 I641 L642I589-L593 WeakPolarHBondContact O-CB 3.49Å; I589-L593 PolarHBondContact O-N 3.44Å; L593-Y596 PolarHBondContact O-N 3.29Å; L593-L597 HydrophobicContact CD1-CD1 3.75Å; L593-L597 HydrophobicContact CD1-CD2 4.38Å; L593-L597 HydrophobicContact CD1-CG 3.87Å; L593-L597 HydrophobicContact CD2-CD1 4.47Å; L593-L597 HydrophobicContact CG-CD1 3.77Å; L593-L597 HydrophobicContact CG-CG 4.23Å; L593-L597 WeakPolarHBondContact O-CB 3.44Å; L593-L597 VanDerWaalsContact O-CG 3.26Å; L593-L597 WeakPolarHBondContact O-CG 3.46Å; L593-L597 PolarHBondContact O-N 2.82Å; L593-I613 HydrophobicContact CD1-CD1 3.91Å; L593-F616 HydrophobicContact CB-CE1 4.07Å; L593-F616 HydrophobicContact CB-CE2 4.31Å; L593-F616 HydrophobicContact CB-CZ 3.68Å; L593-F616 HydrophobicContact CD1-CD1 4.02Å; L593-F616 HydrophobicContact CD1-CE1 3.84Å; L593-F616 HydrophobicContact CD1-CE2 4.43Å; L593-F616 HydrophobicContact CD1-CG 4.42Å; L593-F616 HydrophobicContact CD1-CZ 4.07Å; L593-F616 HydrophobicContact CG-CE1 4.49Å; L593-F616 HydrophobicContact CG-CZ 4.48Å; L593-A638 HydrophobicContact CD2-CB 4.34Å; L593-I641 HydrophobicContact CD2-CB 4.11Å; L593-I641 HydrophobicContact CD2-CG2 3.8Å; L593-L642 HydrophobicContact CD2-CG 4.4Å
594R90.8Very high89.4Confident42 Ų4233.3 Ų33.316%0.15821%0.213CC..Hα-helixtrans-55.1-53.3172.4-177-169.7-58-77.1-7.7111.4D590 E591 Y596 E598 H693 E694D590-R594 WeakPolarHBondContact O-CB 3.28Å; D590-R594 PolarHBondContact O-N 2.94Å; E591-R594 WeakPolarHBondContact O-CB 3.36Å; E591-R594 PolarHBondContact O-N 3.35Å; E591-R594 WeakPolarHBondContact OE2-CD 3.49Å; E591-R594 IonicContact OE2-CZ 2.65Å; E591-R594 IonicContact OE2-NE 3.47Å; E591-R594 PolarHBondContact OE2-NE 2.85Å; R594-Y596 VanDerWaalsContact C-N 3.31Å; R594-Y596 PolarHBondContact O-N 3.04Å; R594-E598 VanDerWaalsContact O-CB 3.3Å; R594-E598 WeakPolarHBondContact O-CB 3.49Å; R594-E598 PolarHBondContact O-N 3.33Å; R594-H693 PolarHBondContact NH2-O 2.89Å; R594-E694 PolarHBondContact NH1-O 3.44Å
595V86.4Confident89.2Confident49 Ų4939.1 Ų39.130%0.29724%0.24SC..Hα-helixtrans-66.3-32.5-177.61740000112.1F582 E591 A592 E598F582-V595 HydrophobicContact CD1-CG1 4.16Å; F582-V595 HydrophobicContact CE1-CG1 4.35Å; F582-V595 WeakPolarHBondContact CE1-O 3.29Å; E591-V595 WeakPolarHBondContact O-CG2 3.47Å; E591-V595 PolarHBondContact O-N 3.35Å; A592-V595 PolarHBondContact O-N 3.41Å; V595-E598 WeakPolarHBondContact O-CB 3.36Å
596Y91.6Very high89.1Confident0 Ų037.6 Ų37.60%024%0.237CC..Hα-helixtrans-68.7-55.9175.6179.6-123.1000112.4F578 V579 F582 F584 A592 L593 R594 E598 A599 F600 I612 F616F578-Y596 HydrophobicContact CD1-CE2 4.21Å; F578-Y596 HydrophobicContact CE1-CE2 4.16Å; V579-Y596 HydrophobicContact CG2-CE2 3.75Å; V579-Y596 VanDerWaalsContact CG2-OH 3.27Å; V579-Y596 WeakPolarHBondContact CG2-OH 3.3Å; F582-Y596 AromaticContact CD2-CD2 3.98Å; F582-Y596 HydrophobicContact CD2-CD2 3.98Å; F582-Y596 HydrophobicContact CD2-CE2 4.45Å; F582-Y596 HydrophobicContact CE1-CD2 4.42Å; F582-Y596 AromaticContact CE2-CD2 3.83Å; F582-Y596 HydrophobicContact CE2-CD2 3.83Å; F582-Y596 HydrophobicContact CE2-CE2 4.21Å; F582-Y596 HydrophobicContact CG-CD2 4.36Å; F582-Y596 HydrophobicContact CZ-CD2 4.06Å; F584-Y596 HydrophobicContact CZ-CD2 4.49Å; F584-Y596 HydrophobicContact CZ-CG 4.43Å; A592-Y596 WeakPolarHBondContact O-CB 3.47Å; A592-Y596 PolarHBondContact O-N 3.05Å; L593-Y596 PolarHBondContact O-N 3.29Å; R594-Y596 VanDerWaalsContact C-N 3.31Å; R594-Y596 PolarHBondContact O-N 3.04Å; Y596-E598 PolarHBondContact O-N 3.16Å; Y596-A599 PolarHBondContact O-N 3.15Å; Y596-A599 VanDerWaalsContact O-N 3.14Å; Y596-F600 HydrophobicContact CD1-CE1 4.25Å; Y596-F600 HydrophobicContact CD1-CZ 4.24Å; Y596-F600 HydrophobicContact CD2-CE1 4.08Å; Y596-F600 AromaticContact CE1-CE1 3.95Å; Y596-F600 HydrophobicContact CE1-CE1 3.95Å; Y596-F600 AromaticContact CE1-CZ 3.71Å; Y596-F600 HydrophobicContact CE1-CZ 3.71Å; Y596-F600 AromaticContact CE2-CE1 3.75Å; Y596-F600 HydrophobicContact CE2-CE1 3.75Å; Y596-F600 HydrophobicContact CE2-CZ 4.29Å; Y596-F600 HydrophobicContact CG-CE1 4.32Å; Y596-F600 AromaticContact CZ-CE1 3.69Å; Y596-F600 AromaticContact CZ-CZ 3.75Å; Y596-F600 WeakPolarHBondContact O-CE1 3.49Å; Y596-I612 HydrophobicContact CE1-CG2 3.85Å; Y596-I612 PolarHBondContact OH-O 3.08Å; Y596-F616 HydrophobicContact CD1-CB 3.88Å; Y596-F616 AromaticContact CD1-CD2 3.53Å; Y596-F616 HydrophobicContact CD1-CD2 3.53Å; Y596-F616 HydrophobicContact CD1-CE2 4.38Å; Y596-F616 AromaticContact CD1-CG 3.88Å; Y596-F616 HydrophobicContact CD1-CG 3.88Å; Y596-F616 HydrophobicContact CE1-CB 3.63Å; Y596-F616 HydrophobicContact CE1-CD2 4.17Å; Y596-F616 HydrophobicContact CE1-CG 4.17Å; Y596-F616 AromaticContact CG-CD2 3.73Å; Y596-F616 HydrophobicContact CG-CD2 3.73Å; Y596-F616 HydrophobicContact CG-CE2 4.38Å
597L89.8Confident89.2Confident6 Ų638.4 Ų38.43%0.03123%0.23CC..Hα-helixtrans-64.2-23.9179.2-63.3178.9000112.3L593 A599 F600 L602 I613 L642 I695 M697L593-L597 HydrophobicContact CD1-CD1 3.75Å; L593-L597 HydrophobicContact CD1-CD2 4.38Å; L593-L597 HydrophobicContact CD1-CG 3.87Å; L593-L597 HydrophobicContact CD2-CD1 4.47Å; L593-L597 HydrophobicContact CG-CD1 3.77Å; L593-L597 HydrophobicContact CG-CG 4.23Å; L593-L597 WeakPolarHBondContact O-CB 3.44Å; L593-L597 VanDerWaalsContact O-CG 3.26Å; L593-L597 WeakPolarHBondContact O-CG 3.46Å; L593-L597 PolarHBondContact O-N 2.82Å; L597-A599 PolarHBondContact O-N 3.48Å; L597-F600 HydrophobicContact CD2-CZ 4.11Å; L597-L602 HydrophobicContact CD1-CD1 4.32Å; L597-L602 HydrophobicContact CD2-CD1 3.86Å; L597-L602 HydrophobicContact CD2-CD2 3.84Å; L597-L602 HydrophobicContact CD2-CG 3.85Å; L597-I613 HydrophobicContact CD2-CD1 4.22Å; L597-L642 HydrophobicContact CD1-CD2 3.66Å; L597-I695 HydrophobicContact CD1-CG2 4.42Å; L597-M697 WeakPolarHBondContact O-CE 3.29Å
598E84.2Confident89.4Confident31 Ų3138.2 Ų38.215%0.14523%0.227CC..THydrogen-bonded Turntrans-55.5-33.5173.9-167-176.7136.300112.8K559 R594 V595 Y596 Y709 C713 R716K559-E598 WeakPolarHBondContact CE-O 3.3Å; K559-E598 PolarHBondContact NZ-O 3.4Å; R594-E598 VanDerWaalsContact O-CB 3.3Å; R594-E598 WeakPolarHBondContact O-CB 3.49Å; R594-E598 PolarHBondContact O-N 3.33Å; V595-E598 WeakPolarHBondContact O-CB 3.36Å; Y596-E598 PolarHBondContact O-N 3.16Å; E598-Y709 HydrophobicContact CG-CE2 3.54Å; E598-Y709 WeakPolarHBondContact CG-OH 3.4Å; E598-Y709 WeakPolarHBondContact OE1-CE2 3.42Å; E598-Y709 PolarHBondContact OE1-OH 2.93Å; E598-C713 PolarHBondContact OE1-SG 2.99Å; E598-R716 IonicContact OE1-CZ 2.64Å; E598-R716 IonicContact OE1-NH1 3.97Å; E598-R716 IonicContact OE1-NH2 3.89Å; E598-R716 PolarHBondContact OE1-NH2 3.36Å; E598-R716 IonicContact OE2-CZ 2.8Å; E598-R716 IonicContact OE2-NH1 2.76Å; E598-R716 PolarHBondContact OE2-NH1 3.17Å; E598-R716 IonicContact OE2-NH2 2.94Å; E598-R716 PolarHBondContact OE2-NH2 3.28Å
599A86.8Confident89.4Confident19 Ų1937.3 Ų37.316%0.15722%0.219CC..THydrogen-bonded Turntrans-75.4-27.9-170.600000114.4K559 F578 F582 Y596 L597K559-A599 WeakPolarHBondContact CG-O 3.27Å; F578-A599 HydrophobicContact CZ-CB 3.9Å; F582-A599 HydrophobicContact CE1-CB 4.38Å; F582-A599 HydrophobicContact CZ-CB 3.78Å; Y596-A599 PolarHBondContact O-N 3.15Å; Y596-A599 VanDerWaalsContact O-N 3.14Å; L597-A599 PolarHBondContact O-N 3.48Å
600F89.8Confident89.3Confident0 Ų041.9 Ų41.90%024%0.241CC..SBendtrans-146.1158.4-174.163.7-84.1000111.2K559 I562 I566 F578 Y596 L597 L602 I612 M697K559-F600 CarbonylContact O-C 3.43Å; K559-F600 WeakPolarHBondContact O-CA 3.21Å; I562-F600 HydrophobicContact CB-CB 4.05Å; I562-F600 HydrophobicContact CG2-CB 3.79Å; I566-F600 HydrophobicContact CD1-CD1 4Å; I566-F600 HydrophobicContact CD1-CD2 4.05Å; I566-F600 HydrophobicContact CD1-CE1 4.22Å; I566-F600 HydrophobicContact CD1-CE2 4.26Å; I566-F600 HydrophobicContact CD1-CG 3.93Å; I566-F600 HydrophobicContact CD1-CZ 4.35Å; F578-F600 AromaticContact CE1-CD1 3.65Å; F578-F600 HydrophobicContact CE1-CD1 3.65Å; F578-F600 AromaticContact CE1-CE1 3.93Å; F578-F600 HydrophobicContact CE1-CE1 3.93Å; F578-F600 HydrophobicContact CZ-CD1 4.06Å; Y596-F600 HydrophobicContact CD1-CE1 4.25Å; Y596-F600 HydrophobicContact CD1-CZ 4.24Å; Y596-F600 HydrophobicContact CD2-CE1 4.08Å; Y596-F600 AromaticContact CE1-CE1 3.95Å; Y596-F600 HydrophobicContact CE1-CE1 3.95Å; Y596-F600 AromaticContact CE1-CZ 3.71Å; Y596-F600 HydrophobicContact CE1-CZ 3.71Å; Y596-F600 AromaticContact CE2-CE1 3.75Å; Y596-F600 HydrophobicContact CE2-CE1 3.75Å; Y596-F600 HydrophobicContact CE2-CZ 4.29Å; Y596-F600 HydrophobicContact CG-CE1 4.32Å; Y596-F600 AromaticContact CZ-CE1 3.69Å; Y596-F600 AromaticContact CZ-CZ 3.75Å; Y596-F600 WeakPolarHBondContact O-CE1 3.49Å; L597-F600 HydrophobicContact CD2-CZ 4.11Å; F600-L602 HydrophobicContact CE2-CD2 4.08Å; F600-I612 HydrophobicContact CE2-CD1 4.11Å; F600-I612 HydrophobicContact CE2-CG2 3.79Å; F600-I612 HydrophobicContact CZ-CG2 3.58Å; F600-M697 VanDerWaalsContact O-CE 3.26Å; F600-M697 WeakPolarHBondContact O-CE 3.49Å
601R87.3Confident89.3Confident94 Ų9443.7 Ų43.736%0.35525%0.247SC..PPolyproline II helixtrans-85.4129.7175.2-161.7-177.7-172.6-167.8-1.8109.3K559 R560 G563 E700K559-R601 PolarHBondContact O-N 3.37Å; R560-R601 HydrophobicContact CB-CB 4.15Å; G563-R601 WeakPolarHBondContact CA-O 3.5Å; R601-E700 IonicContact CZ-OE1 2.71Å; R601-E700 IonicContact NE-OE1 2.72Å; R601-E700 PolarHBondContact NE-OE1 3.43Å; R601-E700 IonicContact NH2-OE1 3.63Å; R601-E700 PolarHBondContact NH2-OE1 3.26Å
602L86.9Confident89.5Confident50 Ų5041.2 Ų41.226%0.26224%0.236SC..PPolyproline II helixtrans-58.8137173.9-78.9167.9000110.8L597 F600 I609 I612 L642L597-L602 HydrophobicContact CD1-CD1 4.32Å; L597-L602 HydrophobicContact CD2-CD1 3.86Å; L597-L602 HydrophobicContact CD2-CD2 3.84Å; L597-L602 HydrophobicContact CD2-CG 3.85Å; F600-L602 HydrophobicContact CE2-CD2 4.08Å; L602-I609 HydrophobicContact CD2-CG2 4.4Å; L602-I612 HydrophobicContact CD2-CG2 4.1Å; L602-L642 HydrophobicContact CD1-CD2 4.09Å
603P88.2Confident89.6Confident14 Ų1441.2 Ų41.29%0.09124%0.236CC..PPolyproline II helixtrans-68.2150.5171.729.4-34.1000110.4E605 L608 I609 I612P603-E605 VanDerWaalsContact C-N 3.26Å; P603-E605 PolarHBondContact O-N 3.1Å; P603-L608 HydrophobicContact CB-CB 4.04Å; P603-L608 HydrophobicContact CB-CD1 4.06Å; P603-L608 HydrophobicContact CG-CB 3.5Å; P603-L608 HydrophobicContact CG-CD1 4.39Å; P603-I609 HydrophobicContact CG-CG1 4.49Å; P603-I609 WeakPolarHBondContact O-CD1 3.16Å; P603-I609 WeakPolarHBondContact O-CG1 3.31Å; P603-I612 HydrophobicContact CG-CD1 3.89Å
604G83.5Confident89.7Confident86 Ų8645.9 Ų45.989%0.88726%0.257SS*.SBendtrans-75.5-7.9-177.700000115.4
605E87.8Confident89.9Confident126 Ų12645.2 Ų45.259%0.58926%0.256SS*.SBendtrans-92.9120.4-177.6-62.8-178.6-152.900111.2P603 P607 L608 I609P603-E605 VanDerWaalsContact C-N 3.26Å; P603-E605 PolarHBondContact O-N 3.1Å; E605-P607 VanDerWaalsContact C-CD 3.44Å; E605-L608 HydrophobicContact CB-CB 4.33Å; E605-L608 HydrophobicContact CB-CD1 3.94Å; E605-L608 HydrophobicContact CB-CG 3.99Å; E605-L608 HydrophobicContact CG-CD1 4.33Å; E605-L608 WeakPolarHBondContact O-CB 3.39Å; E605-L608 PolarHBondContact O-N 3.22Å; E605-I609 PolarHBondContact O-N 3.3Å; E605-I609 VanDerWaalsContact O-N 3.09Å
606A87.5Confident90.3Very high56 Ų5642.9 Ų42.946%0.46324%0.242SC..Hα-helixtrans-52.5-39.6-177.900000115.1L608 I609 Q610A606-L608 VanDerWaalsContact C-N 3.26Å; A606-L608 PolarHBondContact O-N 2.85Å; A606-I609 PolarHBondContact O-N 2.7Å; A606-Q610 PolarHBondContact O-N 2.84Å
607P90.5Very high90.5Very high83 Ų8342.9 Ų42.954%0.53924%0.242SC..Hα-helixtrans-64.1-28.3175.7-22.835.1000114.1E605 R611E605-P607 VanDerWaalsContact C-CD 3.44Å; P607-R611 PolarHBondContact O-N 2.79Å
608L92.6Very high90.7Very high34 Ų3447.7 Ų47.718%0.17826%0.264CS..Hα-helixtrans-79.5-38177-60-177.7000111P603 E605 A606 I612P603-L608 HydrophobicContact CB-CB 4.04Å; P603-L608 HydrophobicContact CB-CD1 4.06Å; P603-L608 HydrophobicContact CG-CB 3.5Å; P603-L608 HydrophobicContact CG-CD1 4.39Å; E605-L608 HydrophobicContact CB-CB 4.33Å; E605-L608 HydrophobicContact CB-CD1 3.94Å; E605-L608 HydrophobicContact CB-CG 3.99Å; E605-L608 HydrophobicContact CG-CD1 4.33Å; E605-L608 WeakPolarHBondContact O-CB 3.39Å; E605-L608 PolarHBondContact O-N 3.22Å; A606-L608 VanDerWaalsContact C-N 3.26Å; A606-L608 PolarHBondContact O-N 2.85Å; L608-I612 WeakPolarHBondContact O-CG1 3.44Å; L608-I612 PolarHBondContact O-N 2.86Å
609I91.5Very high91.2Very high33 Ų3348.1 Ų48.117%0.16927%0.266CS..Hα-helixtrans-59.9-49.3171.3-60.1173.3000110.2L602 P603 E605 A606 R611 I612 I613 Y639 L642L602-I609 HydrophobicContact CD2-CG2 4.4Å; P603-I609 HydrophobicContact CG-CG1 4.49Å; P603-I609 WeakPolarHBondContact O-CD1 3.16Å; P603-I609 WeakPolarHBondContact O-CG1 3.31Å; E605-I609 PolarHBondContact O-N 3.3Å; E605-I609 VanDerWaalsContact O-N 3.09Å; A606-I609 PolarHBondContact O-N 2.7Å; I609-R611 PolarHBondContact O-N 3.07Å; I609-I612 PolarHBondContact O-N 2.77Å; I609-I612 VanDerWaalsContact O-N 3.17Å; I609-I613 HydrophobicContact CG2-CG1 4.18Å; I609-I613 WeakPolarHBondContact O-CG1 3.06Å; I609-I613 PolarHBondContact O-N 3.24Å; I609-Y639 HydrophobicContact CG2-CE2 4.39Å; I609-L642 HydrophobicContact CG2-CD1 4.47Å
610Q92.1Very high91.5Very high101 Ų10147.7 Ų47.747%0.47226%0.26SS..Hα-helixtrans-52.3-55.4179.1173.9171.4-2.300111.5A606 I612 I613 E614 F635A606-Q610 PolarHBondContact O-N 2.84Å; Q610-I612 VanDerWaalsContact C-N 3.27Å; Q610-I612 PolarHBondContact O-N 3.29Å; Q610-I613 PolarHBondContact O-N 3.11Å; Q610-I613 VanDerWaalsContact O-N 3.11Å; Q610-E614 VanDerWaalsContact O-CB 3.31Å; Q610-E614 WeakPolarHBondContact O-CB 3.44Å; Q610-E614 PolarHBondContact O-N 3.33Å; Q610-F635 HydrophobicContact CG-CE2 4.29Å; Q610-F635 HydrophobicContact CG-CZ 3.96Å
611R92.6Very high91.7Very high41 Ų4150.5 Ų50.516%0.15527%0.272CS..Hα-helixtrans-54-39.9178.7170.1174.1160.287.3-4.7113.1S567 D568 T572 L575 P607 I609 H615S567-R611 PolarHBondContact O-NE 3.26Å; D568-R611 PolarHBondContact O-NH2 3.4Å; T572-R611 PolarHBondContact OG1-NH1 3.21Å; T572-R611 PolarHBondContact OG1-NH2 3.41Å; L575-R611 HydrophobicContact CD2-CG 4.09Å; P607-R611 PolarHBondContact O-N 2.79Å; I609-R611 PolarHBondContact O-N 3.07Å; R611-H615 PolarHBondContact O-N 2.92Å; R611-H615 PolarHBondContact O-ND1 2.71Å
612I94.7Very high91.9Very high0 Ų049.9 Ų49.90%028%0.278CS..Hα-helixtrans-70-39.7178.9-75171.5000112.2L575 Y596 F600 L602 P603 L608 I609 Q610 F616L575-I612 HydrophobicContact CD1-CG1 4.43Å; Y596-I612 HydrophobicContact CE1-CG2 3.85Å; Y596-I612 PolarHBondContact OH-O 3.08Å; F600-I612 HydrophobicContact CE2-CD1 4.11Å; F600-I612 HydrophobicContact CE2-CG2 3.79Å; F600-I612 HydrophobicContact CZ-CG2 3.58Å; L602-I612 HydrophobicContact CD2-CG2 4.1Å; P603-I612 HydrophobicContact CG-CD1 3.89Å; L608-I612 WeakPolarHBondContact O-CG1 3.44Å; L608-I612 PolarHBondContact O-N 2.86Å; I609-I612 PolarHBondContact O-N 2.77Å; I609-I612 VanDerWaalsContact O-N 3.17Å; Q610-I612 VanDerWaalsContact C-N 3.27Å; Q610-I612 PolarHBondContact O-N 3.29Å; I612-F616 PolarHBondContact O-N 2.94Å
613I95Very high92Very high0 Ų048.9 Ų48.90%028%0.276CS..Hα-helixtrans-79.4-29.3-178.3-59.6-59.8000111.8L593 L597 I609 Q610 F616 A617 F635 A638 L642L593-I613 HydrophobicContact CD1-CD1 3.91Å; L597-I613 HydrophobicContact CD2-CD1 4.22Å; I609-I613 HydrophobicContact CG2-CG1 4.18Å; I609-I613 WeakPolarHBondContact O-CG1 3.06Å; I609-I613 PolarHBondContact O-N 3.24Å; Q610-I613 PolarHBondContact O-N 3.11Å; Q610-I613 VanDerWaalsContact O-N 3.11Å; I613-F616 PolarHBondContact O-N 3.28Å; I613-A617 WeakPolarHBondContact O-CB 3.47Å; I613-A617 PolarHBondContact O-N 2.92Å; I613-F635 HydrophobicContact CB-CD2 4.29Å; I613-F635 HydrophobicContact CB-CE2 3.99Å; I613-F635 HydrophobicContact CG2-CD2 3.83Å; I613-F635 HydrophobicContact CG2-CE2 3.91Å; I613-A638 HydrophobicContact CG2-CB 3.82Å; I613-L642 HydrophobicContact CD1-CD1 3.85Å; I613-L642 HydrophobicContact CG1-CD1 3.91Å
614E94.4Very high92Very high98 Ų9849.8 Ų49.846%0.45828%0.279SS..Hα-helixtrans-59.8-50.8172.7-172.2173.1-162.300111.5Q610 F616 A617 E618 F635Q610-E614 VanDerWaalsContact O-CB 3.31Å; Q610-E614 WeakPolarHBondContact O-CB 3.44Å; Q610-E614 PolarHBondContact O-N 3.33Å; E614-F616 VanDerWaalsContact C-N 3.34Å; E614-F616 PolarHBondContact O-N 2.84Å; E614-A617 PolarHBondContact O-N 2.88Å; E614-E618 PolarHBondContact O-N 3.47Å; E614-F635 HydrophobicContact CB-CD2 4.23Å; E614-F635 HydrophobicContact CB-CE2 4.27Å
615H94.7Very high91.6Very high28 Ų2852.4 Ų52.413%0.1327%0.269CS..Hα-helixtrans-65.4-35.9176.3-68.864.9000112.3L575 V579 R611 H619L575-H615 HydrophobicContact CD2-CB 4.44Å; L575-H615 HydrophobicContact CG-CB 4.42Å; V579-H615 HydrophobicContact CG2-CB 4.1Å; R611-H615 PolarHBondContact O-N 2.92Å; R611-H615 PolarHBondContact O-ND1 2.71Å; H615-H619 PolarHBondContact O-N 3.23Å
616F95.8Very high90.6Very high0 Ų050 Ų500%027%0.266CS..Hα-helixtrans-62.3-46.6173.3164.3-94.1000111.8F584 I589 A592 L593 Y596 I612 I613 E614 H619 W620 A638F584-F616 HydrophobicContact CD2-CE2 4.45Å; F584-F616 HydrophobicContact CE1-CE2 4.12Å; F584-F616 AromaticContact CE2-CD2 3.7Å; F584-F616 HydrophobicContact CE2-CD2 3.7Å; F584-F616 AromaticContact CE2-CE2 3.72Å; F584-F616 HydrophobicContact CE2-CE2 3.72Å; F584-F616 AromaticContact CZ-CD2 3.7Å; F584-F616 HydrophobicContact CZ-CD2 3.7Å; F584-F616 AromaticContact CZ-CE2 3.55Å; F584-F616 HydrophobicContact CZ-CE2 3.55Å; I589-F616 HydrophobicContact CD1-CE1 4.39Å; I589-F616 HydrophobicContact CG1-CE1 4.02Å; I589-F616 HydrophobicContact CG1-CZ 4.17Å; A592-F616 HydrophobicContact CB-CE2 4.13Å; A592-F616 HydrophobicContact CB-CZ 4.08Å; L593-F616 HydrophobicContact CB-CE1 4.07Å; L593-F616 HydrophobicContact CB-CE2 4.31Å; L593-F616 HydrophobicContact CB-CZ 3.68Å; L593-F616 HydrophobicContact CD1-CD1 4.02Å; L593-F616 HydrophobicContact CD1-CE1 3.84Å; L593-F616 HydrophobicContact CD1-CE2 4.43Å; L593-F616 HydrophobicContact CD1-CG 4.42Å; L593-F616 HydrophobicContact CD1-CZ 4.07Å; L593-F616 HydrophobicContact CG-CE1 4.49Å; L593-F616 HydrophobicContact CG-CZ 4.48Å; Y596-F616 HydrophobicContact CD1-CB 3.88Å; Y596-F616 AromaticContact CD1-CD2 3.53Å; Y596-F616 HydrophobicContact CD1-CD2 3.53Å; Y596-F616 HydrophobicContact CD1-CE2 4.38Å; Y596-F616 AromaticContact CD1-CG 3.88Å; Y596-F616 HydrophobicContact CD1-CG 3.88Å; Y596-F616 HydrophobicContact CE1-CB 3.63Å; Y596-F616 HydrophobicContact CE1-CD2 4.17Å; Y596-F616 HydrophobicContact CE1-CG 4.17Å; Y596-F616 AromaticContact CG-CD2 3.73Å; Y596-F616 HydrophobicContact CG-CD2 3.73Å; Y596-F616 HydrophobicContact CG-CE2 4.38Å; I612-F616 PolarHBondContact O-N 2.94Å; I613-F616 PolarHBondContact O-N 3.28Å; E614-F616 VanDerWaalsContact C-N 3.34Å; E614-F616 PolarHBondContact O-N 2.84Å; F616-H619 PolarHBondContact O-N 3.3Å; F616-W620 HydrophobicContact CZ-CB 4.4Å; F616-W620 WeakPolarHBondContact O-CB 3.39Å; F616-W620 PolarHBondContact O-N 2.95Å; F616-A638 HydrophobicContact CD1-CB 4.2Å; F616-A638 HydrophobicContact CE1-CB 3.97Å
617A94.6Very high89.9Confident0 Ų051.1 Ų51.10%027%0.269CS..Hα-helixtrans-64-43.3-179.600000111.8I613 E614 W620 Y621 V631 A634 F635I613-A617 WeakPolarHBondContact O-CB 3.47Å; I613-A617 PolarHBondContact O-N 2.92Å; E614-A617 PolarHBondContact O-N 2.88Å; A617-W620 PolarHBondContact O-N 2.77Å; A617-Y621 WeakPolarHBondContact O-CB 3.33Å; A617-Y621 PolarHBondContact O-N 2.89Å; A617-V631 HydrophobicContact CB-CG1 4.2Å; A617-A634 HydrophobicContact CB-CB 4.09Å; A617-F635 HydrophobicContact CB-CB 3.76Å
618E94.2Very high89.7Confident108 Ų10847.6 Ų47.651%0.50525%0.245SC..Hα-helixtrans-58.1-48.7175.8-173.4-173.7-166.900111.6E614 T622 V631E614-E618 PolarHBondContact O-N 3.47Å; E618-T622 VanDerWaalsContact O-CB 3.27Å; E618-T622 WeakPolarHBondContact O-CB 3.16Å; E618-T622 PolarHBondContact O-N 3.13Å; E618-T622 PolarHBondContact O-OG1 3.35Å; E618-V631 HydrophobicContact CB-CG1 4.12Å
619H94.4Very high89.4Confident39 Ų3949.4 Ų49.418%0.18125%0.254CS..Hα-helixtrans-71.3-38.9-179.3-175.556.1000112.8V579 F582 F584 H615 F616 S623V579-H619 HydrophobicContact CG1-CB 3.36Å; V579-H619 PolarHBondContact O-CD2 2.95Å; V579-H619 VanDerWaalsContact O-CD2 3.32Å; V579-H619 PolarHBondContact O-NE2 3.15Å; F582-H619 PolarHBondContact O-NE2 2.97Å; F584-H619 AromaticContact CD2-CD2 3.52Å; F584-H619 AromaticContact CE2-CD2 3.63Å; H615-H619 PolarHBondContact O-N 3.23Å; F616-H619 PolarHBondContact O-N 3.3Å; H619-S623 VanDerWaalsContact O-CB 3.28Å; H619-S623 WeakPolarHBondContact O-CB 3.05Å; H619-S623 PolarHBondContact O-N 3Å; H619-S623 PolarHBondContact O-OG 3.14Å
620W94.6Very high89.3Confident10 Ų1050 Ų504%0.03826%0.258CS..Hα-helixtrans-63.3-45.8174.6-173.593.5000111.4F584 V587 I589 A592 F616 A617 S623 N624 F628 A634F584-W620 HydrophobicContact CD2-CB 4.11Å; V587-W620 PolarHBondContact O-NE1 2.8Å; I589-W620 HydrophobicContact CB-CD2 4.23Å; I589-W620 HydrophobicContact CB-CZ2 4.05Å; I589-W620 HydrophobicContact CD1-CD2 4.24Å; I589-W620 HydrophobicContact CD1-CE3 4.28Å; I589-W620 HydrophobicContact CG1-CD2 4.22Å; I589-W620 HydrophobicContact CG1-CG 4.38Å; A592-W620 VanDerWaalsContact CB-CD1 3.46Å; F616-W620 HydrophobicContact CZ-CB 4.4Å; F616-W620 WeakPolarHBondContact O-CB 3.39Å; F616-W620 PolarHBondContact O-N 2.95Å; A617-W620 PolarHBondContact O-N 2.77Å; W620-S623 PolarHBondContact O-N 3.24Å; W620-N624 HydrophobicContact CE3-CB 4.48Å; W620-N624 HydrophobicContact CH2-CB 3.84Å; W620-N624 HydrophobicContact CZ2-CB 4.03Å; W620-N624 HydrophobicContact CZ3-CB 4.07Å; W620-N624 PolarHBondContact O-N 3.18Å; W620-N624 PolarHBondContact O-ND2 2.68Å; W620-F628 HydrophobicContact CE3-CD2 4.01Å; W620-F628 AromaticContact CE3-CE2 3.97Å; W620-F628 HydrophobicContact CE3-CE2 3.97Å; W620-F628 AromaticContact CH2-CD2 3.93Å; W620-F628 HydrophobicContact CH2-CD2 3.93Å; W620-F628 AromaticContact CH2-CE2 3.5Å; W620-F628 HydrophobicContact CH2-CE2 3.5Å; W620-F628 HydrophobicContact CH2-CZ 4.22Å; W620-F628 HydrophobicContact CZ2-CE2 4.35Å; W620-F628 AromaticContact CZ3-CD2 3.3Å; W620-F628 HydrophobicContact CZ3-CD2 3.3Å; W620-F628 AromaticContact CZ3-CE2 3.27Å; W620-F628 HydrophobicContact CZ3-CE2 3.27Å; W620-F628 HydrophobicContact CZ3-CG 4.39Å; W620-F628 HydrophobicContact CZ3-CZ 4.36Å; W620-A634 HydrophobicContact CE3-CB 4.5Å
621Y93Very high89.3Confident60 Ų6047.4 Ų47.424%0.23525%0.248CC..Hα-helixtrans-62.1-48.4176.9175.9-91.9000110.9A617 S623 N624 Q625 I629 D630 V631A617-Y621 WeakPolarHBondContact O-CB 3.33Å; A617-Y621 PolarHBondContact O-N 2.89Å; Y621-S623 PolarHBondContact O-N 2.67Å; Y621-N624 PolarHBondContact O-N 3.03Å; Y621-Q625 WeakPolarHBondContact O-CA 3.45Å; Y621-Q625 PolarHBondContact O-N 3.39Å; Y621-I629 PolarHBondContact OH-O 2.86Å; Y621-D630 WeakPolarHBondContact CD2-O 3.38Å; Y621-V631 HydrophobicContact CD1-CG2 3.64Å; Y621-V631 HydrophobicContact CE1-CG2 4.24Å; Y621-V631 HydrophobicContact CG-CG2 3.92Å
622T91.2Very high89.3Confident81 Ų8151 Ų5150%0.49727%0.27SS..Hα-helixtrans-58.7-34.6177.2-58.80000112.2E618 Q625E618-T622 VanDerWaalsContact O-CB 3.27Å; E618-T622 WeakPolarHBondContact O-CB 3.16Å; E618-T622 PolarHBondContact O-N 3.13Å; E618-T622 PolarHBondContact O-OG1 3.35Å; T622-Q625 PolarHBondContact O-NE2 2.81Å
623S90.2Very high89.2Confident29 Ų2951 Ų5120%0.20327%0.271CS..Hα-helixtrans-76.8-21.9179.9-61.40000114.9H619 W620 Y621H619-S623 VanDerWaalsContact O-CB 3.28Å; H619-S623 WeakPolarHBondContact O-CB 3.05Å; H619-S623 PolarHBondContact O-N 3Å; H619-S623 PolarHBondContact O-OG 3.14Å; W620-S623 PolarHBondContact O-N 3.24Å; Y621-S623 PolarHBondContact O-N 2.67Å
624N88.5Confident89.2Confident32 Ų3251 Ų5117%0.17127%0.271CS..Hα-helixtrans-127.5-30.1-170.2-67.6-74.4000114.8F584 G586 W620 Y621 S626F584-N624 PolarHBondContact O-ND2 3.21Å; F584-N624 PolarHBondContact O-OD1 3.32Å; G586-N624 PolarHBondContact N-OD1 3.36Å; W620-N624 HydrophobicContact CE3-CB 4.48Å; W620-N624 HydrophobicContact CH2-CB 3.84Å; W620-N624 HydrophobicContact CZ2-CB 4.03Å; W620-N624 HydrophobicContact CZ3-CB 4.07Å; W620-N624 PolarHBondContact O-N 3.18Å; W620-N624 PolarHBondContact O-ND2 2.68Å; Y621-N624 PolarHBondContact O-N 3.03Å; N624-S626 PolarHBondContact O-N 3.17Å; N624-S626 PolarHBondContact O-OG 3.34Å
625Q73.5Confident89.2Confident141 Ų14148.2 Ų48.266%0.65926%0.257SS*.  trans54.81.7174.2-56.918012.600116.8Y621 T622Y621-Q625 WeakPolarHBondContact O-CA 3.45Å; Y621-Q625 PolarHBondContact O-N 3.39Å; T622-Q625 PolarHBondContact O-NE2 2.81Å
626S68.3Low89.1Confident77 Ų7749.2 Ų49.254%0.53827%0.265SS..  trans-160.2150.4-179.259.10000108.1N624N624-S626 PolarHBondContact O-N 3.17Å; N624-S626 PolarHBondContact O-OG 3.34Å
627P71.7Confident89.1Confident79 Ų7949.2 Ų49.251%0.51327%0.265SS..SBendcis-93.915.97.237.5-34.2000114.7L682P627-L682 HydrophobicContact CG-CD2 3.73Å
628F85.8Confident89.1Confident9 Ų949.2 Ų49.24%0.03927%0.265CS..  trans-92.7150.3-178.5-47.8-34.5000111.9I589 W620 A633 A634 L637 N673 F678 L682I589-F628 HydrophobicContact CB-CE2 4.27Å; I589-F628 HydrophobicContact CD1-CE2 3.81Å; I589-F628 HydrophobicContact CG2-CE2 4.19Å; I589-F628 HydrophobicContact CG2-CZ 4.05Å; W620-F628 HydrophobicContact CE3-CD2 4.01Å; W620-F628 AromaticContact CE3-CE2 3.97Å; W620-F628 HydrophobicContact CE3-CE2 3.97Å; W620-F628 AromaticContact CH2-CD2 3.93Å; W620-F628 HydrophobicContact CH2-CD2 3.93Å; W620-F628 AromaticContact CH2-CE2 3.5Å; W620-F628 HydrophobicContact CH2-CE2 3.5Å; W620-F628 HydrophobicContact CH2-CZ 4.22Å; W620-F628 HydrophobicContact CZ2-CE2 4.35Å; W620-F628 AromaticContact CZ3-CD2 3.3Å; W620-F628 HydrophobicContact CZ3-CD2 3.3Å; W620-F628 AromaticContact CZ3-CE2 3.27Å; W620-F628 HydrophobicContact CZ3-CE2 3.27Å; W620-F628 HydrophobicContact CZ3-CG 4.39Å; W620-F628 HydrophobicContact CZ3-CZ 4.36Å; F628-A633 HydrophobicContact CB-CB 4.15Å; F628-A634 HydrophobicContact CD2-CB 3.95Å; F628-L637 HydrophobicContact CE1-CD2 3.71Å; F628-L637 HydrophobicContact CE2-CD2 4.06Å; F628-L637 HydrophobicContact CZ-CD2 3.37Å; F628-N673 WeakPolarHBondContact CA-OD1 3.32Å; F628-F678 AromaticContact CD1-CD1 3.54Å; F628-F678 HydrophobicContact CD1-CD1 3.54Å; F628-F678 AromaticContact CD1-CE1 3.49Å; F628-F678 HydrophobicContact CD1-CE1 3.49Å; F628-F678 VanDerWaalsContact CD1-CE1 3.49Å; F628-F678 AromaticContact CE1-CD1 3.59Å; F628-F678 HydrophobicContact CE1-CD1 3.59Å; F628-F678 AromaticContact CE1-CE1 3.77Å; F628-F678 HydrophobicContact CE1-CE1 3.77Å; F628-F678 HydrophobicContact CG-CE1 4.15Å; F628-L682 HydrophobicContact CE1-CD2 3.63Å; F628-L682 HydrophobicContact CZ-CD2 3.98Å
629I87.1Confident89.1Confident72 Ų7248 Ų4837%0.36926%0.257SS..SBendtrans-79-37.2-175.9-62.7-170.9000112.5Y621 N673 Q676Y621-I629 PolarHBondContact OH-O 2.86Å; I629-N673 WeakPolarHBondContact CD1-O 3.29Å; I629-N673 PolarHBondContact N-OD1 2.96Å; I629-Q676 HydrophobicContact CD1-CB 4.23Å; I629-Q676 HydrophobicContact CD1-CG 3.86Å
630D89.8Confident89.1Confident46 Ų4647.2 Ų47.225%0.24626%0.256CS..SBendtrans-149.6174.6-172.447.945.1000111.7Y621 D632 A633 A634 G674Y621-D630 WeakPolarHBondContact CD2-O 3.38Å; D630-D632 VanDerWaalsContact C-N 3.31Å; D630-D632 PolarHBondContact OD1-N 3.11Å; D630-A633 WeakPolarHBondContact OD1-CB 3.45Å; D630-A633 PolarHBondContact OD1-N 2.72Å; D630-A634 PolarHBondContact O-N 2.67Å; D630-G674 VanDerWaalsContact OD2-CA 3.25Å; D630-G674 WeakPolarHBondContact OD2-CA 3.13Å
631V92Very high89.1Confident45 Ų4546.7 Ų46.727%0.27326%0.255SS..Hα-helixtrans-67.6-33.2176.8178.70000111.1A617 E618 Y621 A633 A634 F635A617-V631 HydrophobicContact CB-CG1 4.2Å; E618-V631 HydrophobicContact CB-CG1 4.12Å; Y621-V631 HydrophobicContact CD1-CG2 3.64Å; Y621-V631 HydrophobicContact CE1-CG2 4.24Å; Y621-V631 HydrophobicContact CG-CG2 3.92Å; V631-A633 VanDerWaalsContact C-N 3.34Å; V631-A633 PolarHBondContact O-N 2.94Å; V631-A634 PolarHBondContact O-N 2.83Å; V631-F635 WeakPolarHBondContact O-CB 3.24Å; V631-F635 PolarHBondContact O-N 3.01Å
632D92.5Very high89Confident117 Ų11745.1 Ų45.163%0.62625%0.25SC*.Hα-helixtrans-63.4-38.5179.1-69.9-30.8000111.8D630 F635 T636D630-D632 VanDerWaalsContact C-N 3.31Å; D630-D632 PolarHBondContact OD1-N 3.11Å; D632-F635 PolarHBondContact O-N 3.13Å; D632-T636 VanDerWaalsContact O-CB 3.23Å; D632-T636 WeakPolarHBondContact O-CB 3.38Å; D632-T636 PolarHBondContact O-N 3.36Å; D632-T636 PolarHBondContact O-OG1 3.45Å
633A93.3Very high89Confident1 Ų146.6 Ų46.61%0.00825%0.253CS..Hα-helixtrans-62.7-45.7171.700000112.1F628 D630 V631 T636 L637 N673 F678F628-A633 HydrophobicContact CB-CB 4.15Å; D630-A633 WeakPolarHBondContact OD1-CB 3.45Å; D630-A633 PolarHBondContact OD1-N 2.72Å; V631-A633 VanDerWaalsContact C-N 3.34Å; V631-A633 PolarHBondContact O-N 2.94Å; A633-T636 PolarHBondContact O-N 3.3Å; A633-L637 WeakPolarHBondContact O-CB 3.28Å; A633-L637 PolarHBondContact O-N 2.81Å; A633-N673 HydrophobicContact CB-CB 4.44Å; A633-N673 WeakPolarHBondContact CB-OD1 3.4Å; A633-F678 HydrophobicContact CB-CE1 4.12Å; A633-F678 HydrophobicContact CB-CZ 4.06Å
634A93.3Very high89.2Confident0 Ų045.3 Ų45.30%024%0.243CC..Hα-helixtrans-63.4-42.417700000111.8I589 A617 W620 F628 D630 V631 A638I589-A634 HydrophobicContact CD1-CB 4.28Å; I589-A634 WeakPolarHBondContact CD1-O 3.46Å; A617-A634 HydrophobicContact CB-CB 4.09Å; W620-A634 HydrophobicContact CE3-CB 4.5Å; F628-A634 HydrophobicContact CD2-CB 3.95Å; D630-A634 PolarHBondContact O-N 2.67Å; V631-A634 PolarHBondContact O-N 2.83Å; A634-A638 WeakPolarHBondContact O-CB 2.94Å; A634-A638 PolarHBondContact O-N 3.45Å
635F94.8Very high89.3Confident39 Ų3944.6 Ų44.617%0.17124%0.24CC..Hα-helixtrans-63.5-48.8175.7173.2-96.5000111.7Q610 I613 E614 A617 V631 D632 L637 A638 Y639Q610-F635 HydrophobicContact CG-CE2 4.29Å; Q610-F635 HydrophobicContact CG-CZ 3.96Å; I613-F635 HydrophobicContact CB-CD2 4.29Å; I613-F635 HydrophobicContact CB-CE2 3.99Å; I613-F635 HydrophobicContact CG2-CD2 3.83Å; I613-F635 HydrophobicContact CG2-CE2 3.91Å; E614-F635 HydrophobicContact CB-CD2 4.23Å; E614-F635 HydrophobicContact CB-CE2 4.27Å; A617-F635 HydrophobicContact CB-CB 3.76Å; V631-F635 WeakPolarHBondContact O-CB 3.24Å; V631-F635 PolarHBondContact O-N 3.01Å; D632-F635 PolarHBondContact O-N 3.13Å; F635-L637 VanDerWaalsContact C-N 3.33Å; F635-L637 PolarHBondContact O-N 2.92Å; F635-A638 PolarHBondContact O-N 3Å; F635-Y639 HydrophobicContact CZ-CD2 4.26Å; F635-Y639 WeakPolarHBondContact O-CB 3.26Å; F635-Y639 PolarHBondContact O-N 3.16Å
636T93.7Very high90Very high48 Ų4841.4 Ų41.429%0.29423%0.23SC..Hα-helixtrans-61.7-42.2-179.3-59.40000111.2D632 A633 A640 L669 M672D632-T636 VanDerWaalsContact O-CB 3.23Å; D632-T636 WeakPolarHBondContact O-CB 3.38Å; D632-T636 PolarHBondContact O-N 3.36Å; D632-T636 PolarHBondContact O-OG1 3.45Å; A633-T636 PolarHBondContact O-N 3.3Å; T636-A640 VanDerWaalsContact O-CB 3.3Å; T636-A640 WeakPolarHBondContact O-CB 3.48Å; T636-A640 PolarHBondContact O-N 2.59Å; T636-L669 HydrophobicContact CG2-CD2 4.38Å; T636-M672 HydrophobicContact CG2-CB 4.07Å; T636-M672 HydrophobicContact CG2-CG 4.36Å
637L94.4Very high91.1Very high0 Ų039.2 Ų39.20%021%0.212CC..Hα-helixtrans-68-42.5175.8-177.257.9000112.3I589 F628 A633 F635 Y639 A640 I641 F665 L669 F678 L683 I686I589-L637 HydrophobicContact CG2-CD2 3.89Å; I589-L637 HydrophobicContact CG2-CG 4.36Å; F628-L637 HydrophobicContact CE1-CD2 3.71Å; F628-L637 HydrophobicContact CE2-CD2 4.06Å; F628-L637 HydrophobicContact CZ-CD2 3.37Å; A633-L637 WeakPolarHBondContact O-CB 3.28Å; A633-L637 PolarHBondContact O-N 2.81Å; F635-L637 VanDerWaalsContact C-N 3.33Å; F635-L637 PolarHBondContact O-N 2.92Å; L637-Y639 VanDerWaalsContact C-N 3.34Å; L637-Y639 PolarHBondContact O-N 2.98Å; L637-A640 PolarHBondContact O-N 3.23Å; L637-I641 HydrophobicContact CD1-CD1 4.33Å; L637-I641 HydrophobicContact CD1-CG1 4.44Å; L637-I641 HydrophobicContact CG-CD1 4.08Å; L637-I641 VanDerWaalsContact O-CG1 3.26Å; L637-I641 WeakPolarHBondContact O-CG1 3.42Å; L637-I641 PolarHBondContact O-N 2.86Å; L637-F665 HydrophobicContact CD1-CZ 4.39Å; L637-L669 HydrophobicContact CD1-CD1 3.71Å; L637-L669 HydrophobicContact CD1-CD2 4.44Å; L637-F678 HydrophobicContact CB-CE1 4.27Å; L637-F678 HydrophobicContact CB-CZ 4.01Å; L637-F678 HydrophobicContact CD2-CD1 4.19Å; L637-F678 HydrophobicContact CD2-CE1 4.01Å; L637-F678 HydrophobicContact CD2-CZ 4.48Å; L637-L683 HydrophobicContact CD1-CD2 3.81Å; L637-I686 HydrophobicContact CD2-CD1 4.15Å
638A95Very high92Very high0 Ų035.9 Ų35.90%019%0.19CC..Hα-helixtrans-61.5-41.2175.700000112.2I589 L593 I613 F616 A634 F635 I641 L642I589-A638 HydrophobicContact CD1-CB 4.34Å; L593-A638 HydrophobicContact CD2-CB 4.34Å; I613-A638 HydrophobicContact CG2-CB 3.82Å; F616-A638 HydrophobicContact CD1-CB 4.2Å; F616-A638 HydrophobicContact CE1-CB 3.97Å; A634-A638 WeakPolarHBondContact O-CB 2.94Å; A634-A638 PolarHBondContact O-N 3.45Å; F635-A638 PolarHBondContact O-N 3Å; A638-I641 PolarHBondContact O-N 3.41Å; A638-L642 PolarHBondContact O-N 3.09Å; A638-L642 VanDerWaalsContact O-N 3.12Å
639Y93.4Very high92Very high84 Ų8437.2 Ų37.233%0.32920%0.196SC..Hα-helixtrans-68.5-38.4175.8-157.9-87000111.9I609 F635 L637 I641 L642 M643I609-Y639 HydrophobicContact CG2-CE2 4.39Å; F635-Y639 HydrophobicContact CZ-CD2 4.26Å; F635-Y639 WeakPolarHBondContact O-CB 3.26Å; F635-Y639 PolarHBondContact O-N 3.16Å; L637-Y639 VanDerWaalsContact C-N 3.34Å; L637-Y639 PolarHBondContact O-N 2.98Å; Y639-I641 VanDerWaalsContact C-N 3.34Å; Y639-I641 PolarHBondContact O-N 3.28Å; Y639-L642 WeakPolarHBondContact O-CB 3.45Å; Y639-L642 PolarHBondContact O-N 3.2Å; Y639-M643 HydrophobicContact CD1-CG 4.2Å; Y639-M643 HydrophobicContact CD1-SD 4.02Å; Y639-M643 HydrophobicContact CE1-CG 4.14Å; Y639-M643 HydrophobicContact CE1-SD 3.85Å; Y639-M643 WeakPolarHBondContact O-CG 3.35Å; Y639-M643 PolarHBondContact O-N 2.82Å
640A94.7Very high91.8Very high21 Ų2136.3 Ų36.317%0.17419%0.192CC..Hα-helixtrans-65-34.8173.100000112.7T636 L637 M643 L644 F665 L669T636-A640 VanDerWaalsContact O-CB 3.3Å; T636-A640 WeakPolarHBondContact O-CB 3.48Å; T636-A640 PolarHBondContact O-N 2.59Å; L637-A640 PolarHBondContact O-N 3.23Å; A640-M643 PolarHBondContact O-N 2.95Å; A640-L644 VanDerWaalsContact O-CB 3.32Å; A640-L644 WeakPolarHBondContact O-CB 3.39Å; A640-L644 PolarHBondContact O-N 2.97Å; A640-F665 HydrophobicContact CB-CE2 4.16Å; A640-L669 HydrophobicContact CB-CD1 4.31Å; A640-L669 HydrophobicContact CB-CD2 3.79Å; A640-L669 HydrophobicContact CB-CG 4.37Å
641I95.3Very high91.2Very high0 Ų038 Ų380%021%0.206CC..Hα-helixtrans-65.1-41.3173.3-70.8162000111.1I589 D590 L593 L637 A638 Y639 L644 N645 I686 I690 I695I589-I641 HydrophobicContact CG2-CD1 4.05Å; D590-I641 HydrophobicContact CB-CD1 4.17Å; L593-I641 HydrophobicContact CD2-CB 4.11Å; L593-I641 HydrophobicContact CD2-CG2 3.8Å; L637-I641 HydrophobicContact CD1-CD1 4.33Å; L637-I641 HydrophobicContact CD1-CG1 4.44Å; L637-I641 HydrophobicContact CG-CD1 4.08Å; L637-I641 VanDerWaalsContact O-CG1 3.26Å; L637-I641 WeakPolarHBondContact O-CG1 3.42Å; L637-I641 PolarHBondContact O-N 2.86Å; A638-I641 PolarHBondContact O-N 3.41Å; Y639-I641 VanDerWaalsContact C-N 3.34Å; Y639-I641 PolarHBondContact O-N 3.28Å; I641-L644 PolarHBondContact O-N 3.19Å; I641-N645 WeakPolarHBondContact O-CB 3.14Å; I641-N645 PolarHBondContact O-N 3.35Å; I641-I686 HydrophobicContact CD1-CD1 4.47Å; I641-I686 HydrophobicContact CD1-CG2 3.86Å; I641-I686 HydrophobicContact CG1-CG2 3.7Å; I641-I690 HydrophobicContact CG2-CD1 3.71Å; I641-I690 HydrophobicContact CG2-CG1 4.11Å; I641-I695 HydrophobicContact CG2-CD1 3.91Å
642L91.4Very high90.5Very high26 Ų2640.3 Ų40.314%0.13622%0.216CC..Hα-helixtrans-60.8-44.7173.1-78.7172.8000112.3L593 L597 L602 I609 I613 A638 Y639 T646L593-L642 HydrophobicContact CD2-CG 4.4Å; L597-L642 HydrophobicContact CD1-CD2 3.66Å; L602-L642 HydrophobicContact CD1-CD2 4.09Å; I609-L642 HydrophobicContact CG2-CD1 4.47Å; I613-L642 HydrophobicContact CD1-CD1 3.85Å; I613-L642 HydrophobicContact CG1-CD1 3.91Å; A638-L642 PolarHBondContact O-N 3.09Å; A638-L642 VanDerWaalsContact O-N 3.12Å; Y639-L642 WeakPolarHBondContact O-CB 3.45Å; Y639-L642 PolarHBondContact O-N 3.2Å; L642-T646 WeakPolarHBondContact O-CB 3.41Å; L642-T646 PolarHBondContact O-N 3.39Å; L642-T646 VanDerWaalsContact O-N 3.09Å; L642-T646 PolarHBondContact O-OG1 3.08Å
643M90.1Very high89.7Confident113 Ų11336.1 Ų36.156%0.55720%0.196SC*.Hα-helixtrans-65.1-42.8176.3-69.5-170.170.900111.8Y639 A640 T646 D647Y639-M643 HydrophobicContact CD1-CG 4.2Å; Y639-M643 HydrophobicContact CD1-SD 4.02Å; Y639-M643 HydrophobicContact CE1-CG 4.14Å; Y639-M643 HydrophobicContact CE1-SD 3.85Å; Y639-M643 WeakPolarHBondContact O-CG 3.35Å; Y639-M643 PolarHBondContact O-N 2.82Å; A640-M643 PolarHBondContact O-N 2.95Å; M643-T646 PolarHBondContact O-N 2.93Å; M643-D647 WeakPolarHBondContact O-CB 3.29Å; M643-D647 PolarHBondContact O-N 3.46Å
644L94.1Very high88.7Confident1 Ų141 Ų411%0.00522%0.217CC..Hα-helixtrans-61.7-46.4176.2-177.168.5000111.4A640 I641 T646 D647 Q648 M660 F665 Y687 I690A640-L644 VanDerWaalsContact O-CB 3.32Å; A640-L644 WeakPolarHBondContact O-CB 3.39Å; A640-L644 PolarHBondContact O-N 2.97Å; I641-L644 PolarHBondContact O-N 3.19Å; L644-T646 VanDerWaalsContact C-N 3.28Å; L644-T646 PolarHBondContact O-N 3.27Å; L644-D647 PolarHBondContact O-N 3.44Å; L644-Q648 HydrophobicContact CD1-CG 3.64Å; L644-Q648 HydrophobicContact CG-CG 3.91Å; L644-Q648 WeakPolarHBondContact O-CB 3.44Å; L644-Q648 WeakPolarHBondContact O-CG 3.44Å; L644-Q648 PolarHBondContact O-N 2.86Å; L644-M660 HydrophobicContact CD1-CB 4.44Å; L644-M660 HydrophobicContact CD1-SD 4.18Å; L644-F665 HydrophobicContact CB-CD2 4.3Å; L644-F665 HydrophobicContact CB-CE2 4.06Å; L644-F665 HydrophobicContact CD1-CD2 4.13Å; L644-F665 HydrophobicContact CD2-CD1 4.43Å; L644-F665 HydrophobicContact CD2-CD2 3.98Å; L644-F665 HydrophobicContact CD2-CE1 4.29Å; L644-F665 HydrophobicContact CD2-CE2 3.82Å; L644-F665 HydrophobicContact CD2-CG 4.28Å; L644-F665 HydrophobicContact CD2-CZ 3.98Å; L644-F665 HydrophobicContact CG-CD2 4.36Å; L644-F665 HydrophobicContact CG-CE2 4.38Å; L644-Y687 HydrophobicContact CD1-CD2 3.83Å; L644-Y687 HydrophobicContact CD1-CE2 3.82Å; L644-Y687 HydrophobicContact CD2-CD2 3.83Å; L644-Y687 HydrophobicContact CD2-CG 4.32Å; L644-Y687 HydrophobicContact CG-CD2 4.48Å; L644-I690 HydrophobicContact CD2-CB 4.14Å; L644-I690 HydrophobicContact CD2-CG2 4.09Å; L644-I690 HydrophobicContact CG-CG2 4.11Å
645N91.1Very high87.8Confident18 Ų1850.8 Ų50.810%0.09625%0.254CS..Hα-helixtrans-58.9-42.1176.9-172.370.3000111.7I641 H649 I690 I695I641-N645 WeakPolarHBondContact O-CB 3.14Å; I641-N645 PolarHBondContact O-N 3.35Å; N645-H649 PolarHBondContact O-N 3.34Å; N645-H649 VanDerWaalsContact O-N 3.14Å; N645-H649 PolarHBondContact OD1-CD2 3Å; N645-I690 HydrophobicContact CB-CG2 4.04Å; N645-I695 PolarHBondContact ND2-O 3.29Å; N645-I695 PolarHBondContact OD1-N 3.08Å
646T88.6Confident86.9Confident74 Ų7456.4 Ų56.445%0.45428%0.281SS..Hα-helixtrans-67-35.7178.1-53.80000112.5L642 M643 L644 N650 S653L642-T646 WeakPolarHBondContact O-CB 3.41Å; L642-T646 PolarHBondContact O-N 3.39Å; L642-T646 VanDerWaalsContact O-N 3.09Å; L642-T646 PolarHBondContact O-OG1 3.08Å; M643-T646 PolarHBondContact O-N 2.93Å; L644-T646 VanDerWaalsContact C-N 3.28Å; L644-T646 PolarHBondContact O-N 3.27Å; T646-N650 WeakPolarHBondContact O-CB 3.39Å; T646-N650 PolarHBondContact O-N 2.89Å; T646-S653 PolarHBondContact O-OG 3.45Å
647D90.9Very high86.2Confident31 Ų3159.7 Ų59.717%0.16630%0.296CS..Hα-helixtrans-73.3-48175.9171.584.5000112.2M643 L644 H649 P659 M660M643-D647 WeakPolarHBondContact O-CB 3.29Å; M643-D647 PolarHBondContact O-N 3.46Å; L644-D647 PolarHBondContact O-N 3.44Å; D647-H649 PolarHBondContact O-N 2.74Å; D647-P659 WeakPolarHBondContact OD2-CA 3.26Å; D647-M660 PolarHBondContact OD1-N 2.67Å; D647-M660 WeakPolarHBondContact OD2-CB 3.45Å; D647-M660 PolarHBondContact OD2-N 3.38Å
648Q90.6Very high85.6Confident9 Ų963.8 Ų63.84%0.04233%0.331CS..Hα-helixtrans-72-24.3-174.1-65.3-64.5-70.800113.7L644 K654 M660 Y687 H691L644-Q648 HydrophobicContact CD1-CG 3.64Å; L644-Q648 HydrophobicContact CG-CG 3.91Å; L644-Q648 WeakPolarHBondContact O-CB 3.44Å; L644-Q648 WeakPolarHBondContact O-CG 3.44Å; L644-Q648 PolarHBondContact O-N 2.86Å; Q648-K654 WeakPolarHBondContact O-CE 3.38Å; Q648-K654 PolarHBondContact O-NZ 2.9Å; Q648-M660 PolarHBondContact NE2-O 2.97Å; Q648-Y687 PolarHBondContact OE1-OH 2.95Å; Q648-H691 PolarHBondContact OE1-ND1 2.73Å
649H86.3Confident85.2Confident36 Ų3666.3 Ų66.317%0.16735%0.347CS..Hα-helixtrans-116.2-38-173.7-65.8-57.5000115.6N645 D647 K654 I690 H691 E694N645-H649 PolarHBondContact O-N 3.34Å; N645-H649 VanDerWaalsContact O-N 3.14Å; N645-H649 PolarHBondContact OD1-CD2 3Å; D647-H649 PolarHBondContact O-N 2.74Å; H649-K654 PolarHBondContact O-NZ 2.91Å; H649-I690 PolarHBondContact NE2-O 3.17Å; H649-H691 PolarHBondContact CE1-O 3.24Å; H649-E694 HydrophobicContact CB-CB 4.45Å; H649-E694 HydrophobicContact CB-CG 3.91Å; H649-E694 WeakPolarHBondContact CB-OE1 3.44Å
650N83Confident85Confident54 Ų5464.3 Ų64.329%0.28934%0.341SS..  trans-58.1120.7-175-177.7-13.9000112.1T646 N652 S653 K654T646-N650 WeakPolarHBondContact O-CB 3.39Å; T646-N650 PolarHBondContact O-N 2.89Å; N650-N652 PolarHBondContact O-N 3.35Å; N650-N652 WeakPolarHBondContact OD1-CB 3.33Å; N650-N652 PolarHBondContact OD1-N 3.29Å; N650-S653 WeakPolarHBondContact CB-OG 3.48Å; N650-S653 PolarHBondContact O-N 2.96Å; N650-S653 VanDerWaalsContact O-N 3.16Å; N650-K654 PolarHBondContact O-N 3.01Å
651P75.9Confident84.9Confident82 Ų8271.9 Ų71.953%0.53237%0.365SS..THydrogen-bonded Turntrans-67.8-16.3-177.727.9-35.7000113.6R655P651-R655 WeakPolarHBondContact O-CD 3.39Å; P651-R655 VanDerWaalsContact O-CG 3.31Å; P651-R655 WeakPolarHBondContact O-CG 3.27Å
652N77.9Confident84.8Confident92 Ų9273.3 Ų73.349%0.49237%0.372SS..THydrogen-bonded Turntrans-81.7-38.7172.9-64.5-43.4000111.9N650 K654 R655 Q656N650-N652 PolarHBondContact O-N 3.35Å; N650-N652 WeakPolarHBondContact OD1-CB 3.33Å; N650-N652 PolarHBondContact OD1-N 3.29Å; N652-K654 VanDerWaalsContact C-N 3.34Å; N652-K654 PolarHBondContact O-N 2.93Å; N652-R655 PolarHBondContact O-N 3.13Å; N652-R655 VanDerWaalsContact O-N 3.11Å; N652-Q656 PolarHBondContact O-N 3.3Å
653S75.2Confident84.9Confident29 Ų2977.8 Ų77.820%0.20339%0.392CS..Hα-helixtrans-56.6-49.8173.6-56.80000110.6T646 N650 R655 Q656 N657T646-S653 PolarHBondContact O-OG 3.45Å; N650-S653 WeakPolarHBondContact CB-OG 3.48Å; N650-S653 PolarHBondContact O-N 2.96Å; N650-S653 VanDerWaalsContact O-N 3.16Å; S653-R655 PolarHBondContact O-N 3.03Å; S653-Q656 PolarHBondContact O-N 3.47Å; S653-N657 PolarHBondContact O-N 3.44Å
654K72.4Confident85.1Confident103 Ų10375.6 Ų75.645%0.44838%0.383SS..Hα-helixtrans-59.4-14.7177-71.1171.5177.6163.20115.3Q648 H649 N650 N652 P659Q648-K654 WeakPolarHBondContact O-CE 3.38Å; Q648-K654 PolarHBondContact O-NZ 2.9Å; H649-K654 PolarHBondContact O-NZ 2.91Å; N650-K654 PolarHBondContact O-N 3.01Å; N652-K654 VanDerWaalsContact C-N 3.34Å; N652-K654 PolarHBondContact O-N 2.93Å; K654-P659 HydrophobicContact CG-CG 4.12Å
655R74.5Confident85.1Confident207 Ų20775.8 Ų75.878%0.78138%0.384SS*.Hα-helixtrans-95.8-20175.7-71.9170.6179.2-172.6-0.3113.2P651 N652 S653P651-R655 WeakPolarHBondContact O-CD 3.39Å; P651-R655 VanDerWaalsContact O-CG 3.31Å; P651-R655 WeakPolarHBondContact O-CG 3.27Å; N652-R655 PolarHBondContact O-N 3.13Å; N652-R655 VanDerWaalsContact O-N 3.11Å; S653-R655 PolarHBondContact O-N 3.03Å
656Q75.7Confident85.2Confident157 Ų15776.9 Ų76.973%0.73439%0.388SS*.Hα-helixtrans-102.6-40.6-176.8-66.5-176.6-0.300112.1N652 S653N652-Q656 PolarHBondContact O-N 3.3Å; S653-Q656 PolarHBondContact O-N 3.47Å
657N80Confident85.4Confident116 Ų11680.8 Ų80.862%0.6240%0.398SS*.SBendtrans-132.4159.4-178.4-67.9-54.2000111.1S653S653-N657 PolarHBondContact O-N 3.44Å
658A82.1Confident85.4Confident87 Ų8784 Ų8472%0.71942%0.416SS*.PPolyproline II helixtrans-72.9135.1163.800000109
659P86.6Confident85.5Confident52 Ų5283.8 Ų83.834%0.33842%0.415SS..PPolyproline II helixtrans-58.1145.5178.1-25.134.4000112.7D647 K654D647-P659 WeakPolarHBondContact OD2-CA 3.26Å; K654-P659 HydrophobicContact CG-CG 4.12Å
660M89.6Confident85.8Confident43 Ų4385.2 Ų85.221%0.21243%0.429CS..PPolyproline II helixtrans-53135.3174.7-171.3-177.2-55.800110.3L644 D647 Q648 D664 F665 Y687L644-M660 HydrophobicContact CD1-CB 4.44Å; L644-M660 HydrophobicContact CD1-SD 4.18Å; D647-M660 PolarHBondContact OD1-N 2.67Å; D647-M660 WeakPolarHBondContact OD2-CB 3.45Å; D647-M660 PolarHBondContact OD2-N 3.38Å; Q648-M660 PolarHBondContact NE2-O 2.97Å; M660-D664 HydrophobicContact CG-CB 3.7Å; M660-F665 HydrophobicContact CG-CB 4.41Å; M660-F665 HydrophobicContact SD-CB 3.82Å; M660-F665 HydrophobicContact SD-CD2 3.98Å; M660-F665 HydrophobicContact SD-CG 4.41Å; M660-Y687 PolarHBondContact O-OH 3.35Å
661R92.2Very high86.2Confident179 Ų17983.8 Ų83.868%0.67543%0.426SS*.PPolyproline II helixtrans-91.7162.6177-54177.9175.2-158.4-3.1111E663 D664 F665 Y687R661-E663 PolarHBondContact O-N 3.39Å; R661-E663 VanDerWaalsContact O-N 3.14Å; R661-D664 VanDerWaalsContact CB-OD2 3.24Å; R661-D664 WeakPolarHBondContact CB-OD2 3.42Å; R661-D664 WeakPolarHBondContact CG-OD2 3.22Å; R661-D664 PolarHBondContact N-OD2 3.02Å; R661-D664 VanDerWaalsContact N-OD2 3.08Å; R661-D664 WeakPolarHBondContact O-CB 3.28Å; R661-D664 PolarHBondContact O-N 2.68Å; R661-F665 PolarHBondContact O-N 3.48Å; R661-Y687 VanDerWaalsContact C-CE2 3.46Å
662M93.7Very high86.9Confident30 Ų3084 Ų8415%0.14842%0.421CS..Hα-helixtrans-40.3-50.6171.2-179.564.873.500113F665 K666 E684 Y687 N688M662-F665 PolarHBondContact O-N 3.18Å; M662-K666 WeakPolarHBondContact O-CG 3.3Å; M662-K666 PolarHBondContact O-N 3.38Å; M662-E684 HydrophobicContact CE-CB 4.35Å; M662-E684 HydrophobicContact CE-CG 3.73Å; M662-E684 HydrophobicContact SD-CB 4.01Å; M662-E684 HydrophobicContact SD-CG 3.94Å; M662-Y687 HydrophobicContact CB-CD1 4.47Å; M662-Y687 HydrophobicContact CB-CE1 4.41Å; M662-Y687 HydrophobicContact CE-CD1 3.29Å; M662-Y687 HydrophobicContact CE-CE1 4.05Å; M662-Y687 HydrophobicContact CE-CG 3.72Å; M662-Y687 VanDerWaalsContact N-CE2 3.3Å; M662-Y687 PolarHBondContact N-OH 2.96Å; M662-Y687 HydrophobicContact SD-CD1 3.97Å; M662-Y687 HydrophobicContact SD-CD2 4.42Å; M662-Y687 HydrophobicContact SD-CG 3.78Å; M662-N688 VanDerWaalsContact CE-OD1 3.32Å; M662-N688 WeakPolarHBondContact CE-OD1 3.23Å
663E93.3Very high87.5Confident120 Ų12080.1 Ų80.156%0.56140%0.401SS*.Hα-helixtrans-79-25-174-42.2-63.8-13900112.3R661 K666 K667R661-E663 PolarHBondContact O-N 3.39Å; R661-E663 VanDerWaalsContact O-N 3.14Å; E663-K666 WeakPolarHBondContact OE2-CD 3.21Å; E663-K666 IonicContact OE2-NZ 2.71Å; E663-K666 PolarHBondContact OE2-NZ 3.37Å; E663-K667 WeakPolarHBondContact O-CB 3.09Å; E663-K667 PolarHBondContact O-N 3.36Å
664D92.6Very high88Confident68 Ų6879.7 Ų79.736%0.36440%0.401SS..Hα-helixtrans-70.1-41.2170.5-58.4-52.1000110.1M660 R661 K667 N668M660-D664 HydrophobicContact CG-CB 3.7Å; R661-D664 VanDerWaalsContact CB-OD2 3.24Å; R661-D664 WeakPolarHBondContact CB-OD2 3.42Å; R661-D664 WeakPolarHBondContact CG-OD2 3.22Å; R661-D664 PolarHBondContact N-OD2 3.02Å; R661-D664 VanDerWaalsContact N-OD2 3.08Å; R661-D664 WeakPolarHBondContact O-CB 3.28Å; R661-D664 PolarHBondContact O-N 2.68Å; D664-K667 PolarHBondContact O-N 3.48Å; D664-N668 WeakPolarHBondContact O-CB 3.27Å; D664-N668 PolarHBondContact O-N 3.45Å; D664-N668 PolarHBondContact O-ND2 3.43Å; D664-N668 VanDerWaalsContact O-ND2 3.16Å
665F94.6Very high88.6Confident4 Ų482.3 Ų82.32%0.01842%0.419CS..Hα-helixtrans-62.4-49175.1-178.4-111.6000111.7L637 A640 L644 M660 R661 M662 K667 N668 L669 L683 I686 Y687L637-F665 HydrophobicContact CD1-CZ 4.39Å; A640-F665 HydrophobicContact CB-CE2 4.16Å; L644-F665 HydrophobicContact CB-CD2 4.3Å; L644-F665 HydrophobicContact CB-CE2 4.06Å; L644-F665 HydrophobicContact CD1-CD2 4.13Å; L644-F665 HydrophobicContact CD2-CD1 4.43Å; L644-F665 HydrophobicContact CD2-CD2 3.98Å; L644-F665 HydrophobicContact CD2-CE1 4.29Å; L644-F665 HydrophobicContact CD2-CE2 3.82Å; L644-F665 HydrophobicContact CD2-CG 4.28Å; L644-F665 HydrophobicContact CD2-CZ 3.98Å; L644-F665 HydrophobicContact CG-CD2 4.36Å; L644-F665 HydrophobicContact CG-CE2 4.38Å; M660-F665 HydrophobicContact CG-CB 4.41Å; M660-F665 HydrophobicContact SD-CB 3.82Å; M660-F665 HydrophobicContact SD-CD2 3.98Å; M660-F665 HydrophobicContact SD-CG 4.41Å; R661-F665 PolarHBondContact O-N 3.48Å; M662-F665 PolarHBondContact O-N 3.18Å; F665-K667 VanDerWaalsContact C-N 3.33Å; F665-K667 PolarHBondContact O-N 2.76Å; F665-N668 PolarHBondContact O-N 3.21Å; F665-L669 HydrophobicContact CD1-CD1 4.3Å; F665-L669 HydrophobicContact CD2-CD1 4.18Å; F665-L669 HydrophobicContact CE1-CD1 3.86Å; F665-L669 HydrophobicContact CE2-CD1 3.72Å; F665-L669 HydrophobicContact CG-CD1 4.46Å; F665-L669 HydrophobicContact CZ-CD1 3.54Å; F665-L669 PolarHBondContact O-N 3.31Å; F665-L683 HydrophobicContact CD1-CB 4.5Å; F665-L683 HydrophobicContact CE1-CB 4.3Å; F665-L683 HydrophobicContact CE1-CD2 4.24Å; F665-I686 HydrophobicContact CE1-CG2 4.34Å; F665-I686 HydrophobicContact CZ-CG2 4.28Å; F665-Y687 HydrophobicContact CB-CD2 3.9Å; F665-Y687 HydrophobicContact CB-CE2 4.39Å; F665-Y687 HydrophobicContact CD1-CD2 4.16Å; F665-Y687 HydrophobicContact CG-CD2 4.12Å
666K93.5Very high89.2Confident41 Ų4178.3 Ų78.318%0.17841%0.41CS..Hα-helixtrans-58.3-43.4173.9-69.7175.9-168.81590112.1M662 E663 L669 S670 L683 E684M662-K666 WeakPolarHBondContact O-CG 3.3Å; M662-K666 PolarHBondContact O-N 3.38Å; E663-K666 WeakPolarHBondContact OE2-CD 3.21Å; E663-K666 IonicContact OE2-NZ 2.71Å; E663-K666 PolarHBondContact OE2-NZ 3.37Å; K666-L669 PolarHBondContact O-N 3.45Å; K666-S670 PolarHBondContact O-N 3.28Å; K666-L683 HydrophobicContact CB-CD1 4.39Å; K666-L683 HydrophobicContact CG-CB 4.07Å; K666-L683 HydrophobicContact CG-CD1 4.15Å; K666-E684 IonicContact NZ-OE2 2.99Å; K666-E684 PolarHBondContact NZ-OE2 3.16Å
667K92.6Very high89.9Confident156 Ų15675.4 Ų75.468%0.67840%0.399SS*.Hα-helixtrans-65.2-41.5178.6180-173.9173.1-1670112.9E663 D664 F665 L669 S670E663-K667 WeakPolarHBondContact O-CB 3.09Å; E663-K667 PolarHBondContact O-N 3.36Å; D664-K667 PolarHBondContact O-N 3.48Å; F665-K667 VanDerWaalsContact C-N 3.33Å; F665-K667 PolarHBondContact O-N 2.76Å; K667-L669 PolarHBondContact O-N 3.02Å; K667-S670 WeakPolarHBondContact O-CB 3.46Å; K667-S670 PolarHBondContact O-N 3.02Å
668N91.7Very high90.5Very high99 Ų9970.2 Ų70.253%0.52937%0.371SS..Hα-helixtrans-66.7-19.9179.6-70.5-21.7000113D664 F665D664-N668 WeakPolarHBondContact O-CB 3.27Å; D664-N668 PolarHBondContact O-N 3.45Å; D664-N668 PolarHBondContact O-ND2 3.43Å; D664-N668 VanDerWaalsContact O-ND2 3.16Å; F665-N668 PolarHBondContact O-N 3.21Å
669L93Very high90.9Very high5 Ų570.2 Ų70.23%0.02636%0.359CS..THydrogen-bonded Turntrans-102.16.7178.3-72.5168.5000113.8T636 L637 A640 F665 K666 K667 M672 F678 L683T636-L669 HydrophobicContact CG2-CD2 4.38Å; L637-L669 HydrophobicContact CD1-CD1 3.71Å; L637-L669 HydrophobicContact CD1-CD2 4.44Å; A640-L669 HydrophobicContact CB-CD1 4.31Å; A640-L669 HydrophobicContact CB-CD2 3.79Å; A640-L669 HydrophobicContact CB-CG 4.37Å; F665-L669 HydrophobicContact CD1-CD1 4.3Å; F665-L669 HydrophobicContact CD2-CD1 4.18Å; F665-L669 HydrophobicContact CE1-CD1 3.86Å; F665-L669 HydrophobicContact CE2-CD1 3.72Å; F665-L669 HydrophobicContact CG-CD1 4.46Å; F665-L669 HydrophobicContact CZ-CD1 3.54Å; F665-L669 PolarHBondContact O-N 3.31Å; K666-L669 PolarHBondContact O-N 3.45Å; K667-L669 PolarHBondContact O-N 3.02Å; L669-M672 WeakPolarHBondContact O-CB 3.12Å; L669-M672 PolarHBondContact O-N 3.33Å; L669-F678 HydrophobicContact CB-CD2 4.1Å; L669-F678 HydrophobicContact CB-CE2 4.3Å; L669-F678 HydrophobicContact CD2-CE2 4.11Å; L669-L683 HydrophobicContact CB-CD1 4.09Å; L669-L683 HydrophobicContact CD1-CD1 4.14Å; L669-L683 HydrophobicContact CD1-CD2 3.76Å
670S92.5Very high91Very high66 Ų6671.6 Ų71.646%0.46237%0.368SS..THydrogen-bonded Turntrans-69.6134.5179.4-175.70000111.7K666 K667 M672 D677K666-S670 PolarHBondContact O-N 3.28Å; K667-S670 WeakPolarHBondContact O-CB 3.46Å; K667-S670 PolarHBondContact O-N 3.02Å; S670-M672 PolarHBondContact O-N 3.24Å; S670-D677 WeakPolarHBondContact CA-OD1 3.45Å; S670-D677 VanDerWaalsContact CB-OD1 3.32Å; S670-D677 WeakPolarHBondContact CB-OD1 3.41Å; S670-D677 PolarHBondContact OG-OD1 3.27Å
671G90.3Very high91.1Very high23 Ų2377.3 Ų77.324%0.23739%0.392CS..THydrogen-bonded Turntrans70.9-1.3-173.300000115.7N673 N675 Q676 D677G671-N673 VanDerWaalsContact C-N 3.34Å; G671-N673 PolarHBondContact O-N 2.78Å; G671-N675 WeakPolarHBondContact O-CA 3.45Å; G671-N675 PolarHBondContact O-N 3.04Å; G671-Q676 CarbonylContact C-O 3.02Å; G671-Q676 WeakPolarHBondContact CA-O 3.41Å; G671-Q676 PolarHBondContact N-O 3.04Å; G671-D677 PolarHBondContact N-OD1 3.45Å
672M91.4Very high91.1Very high87 Ų8771 Ų7143%0.42937%0.371SS..THydrogen-bonded Turntrans-874.4-172.5-59.5-64.995.500114.5T636 L669 S670 Q676 F678T636-M672 HydrophobicContact CG2-CB 4.07Å; T636-M672 HydrophobicContact CG2-CG 4.36Å; L669-M672 WeakPolarHBondContact O-CB 3.12Å; L669-M672 PolarHBondContact O-N 3.33Å; S670-M672 PolarHBondContact O-N 3.24Å; M672-Q676 PolarHBondContact N-O 3.48Å; M672-F678 HydrophobicContact CB-CE2 4Å
673N90.1Very high91.1Very high11 Ų1169.8 Ų69.86%0.05937%0.365CS..BIsolated β-bridgetrans-104.778.9173.3-175.424.5000109.5F628 I629 A633 G671 N675 Q676 D677 F678F628-N673 WeakPolarHBondContact CA-OD1 3.32Å; I629-N673 WeakPolarHBondContact CD1-O 3.29Å; I629-N673 PolarHBondContact N-OD1 2.96Å; A633-N673 HydrophobicContact CB-CB 4.44Å; A633-N673 WeakPolarHBondContact CB-OD1 3.4Å; G671-N673 VanDerWaalsContact C-N 3.34Å; G671-N673 PolarHBondContact O-N 2.78Å; N673-N675 VanDerWaalsContact C-N 3.34Å; N673-N675 PolarHBondContact O-N 3.42Å; N673-Q676 WeakPolarHBondContact CA-O 3.12Å; N673-Q676 WeakPolarHBondContact CB-O 3.35Å; N673-Q676 PolarHBondContact N-O 3.48Å; N673-Q676 WeakPolarHBondContact O-CA 3.46Å; N673-Q676 WeakPolarHBondContact O-CB 3.27Å; N673-Q676 PolarHBondContact O-N 3.36Å; N673-D677 PolarHBondContact ND2-O 3.25Å; N673-F678 HydrophobicContact CB-CD1 3.77Å; N673-F678 HydrophobicContact CB-CD2 4.06Å; N673-F678 HydrophobicContact CB-CE1 3.7Å; N673-F678 HydrophobicContact CB-CE2 4Å; N673-F678 HydrophobicContact CB-CG 3.95Å; N673-F678 HydrophobicContact CB-CZ 3.82Å
674G84.5Confident91.1Very high19 Ų1968.2 Ų68.220%0.19636%0.358CS..THydrogen-bonded Turntrans58.137.7-179.100000115.1D630 Q676D630-G674 VanDerWaalsContact OD2-CA 3.25Å; D630-G674 WeakPolarHBondContact OD2-CA 3.13Å; G674-Q676 VanDerWaalsContact C-N 3.33Å
675N85.3Confident91.2Very high158 Ų15867.8 Ų67.885%0.84536%0.36SS*.THydrogen-bonded Turntrans72.614-169.1-48.2-92.2000115.4G671 N673G671-N675 WeakPolarHBondContact O-CA 3.45Å; G671-N675 PolarHBondContact O-N 3.04Å; N673-N675 VanDerWaalsContact C-N 3.34Å; N673-N675 PolarHBondContact O-N 3.42Å
676Q88.1Confident91.2Very high123 Ų12367.7 Ų67.758%0.57536%0.36SS*.BIsolated β-bridgetrans-118.6173.3170.5-53.1-17329.100110.5I629 G671 M672 N673 G674I629-Q676 HydrophobicContact CD1-CB 4.23Å; I629-Q676 HydrophobicContact CD1-CG 3.86Å; G671-Q676 CarbonylContact C-O 3.02Å; G671-Q676 WeakPolarHBondContact CA-O 3.41Å; G671-Q676 PolarHBondContact N-O 3.04Å; M672-Q676 PolarHBondContact N-O 3.48Å; N673-Q676 WeakPolarHBondContact CA-O 3.12Å; N673-Q676 WeakPolarHBondContact CB-O 3.35Å; N673-Q676 PolarHBondContact N-O 3.48Å; N673-Q676 WeakPolarHBondContact O-CA 3.46Å; N673-Q676 WeakPolarHBondContact O-CB 3.27Å; N673-Q676 PolarHBondContact O-N 3.36Å; G674-Q676 VanDerWaalsContact C-N 3.33Å
677D90.1Very high91.3Very high97 Ų9766.9 Ų66.952%0.51936%0.356SS..PPolyproline II helixtrans-82.3159.8170.8-61.7-44.7000111.3S670 G671 N673S670-D677 WeakPolarHBondContact CA-OD1 3.45Å; S670-D677 VanDerWaalsContact CB-OD1 3.32Å; S670-D677 WeakPolarHBondContact CB-OD1 3.41Å; S670-D677 PolarHBondContact OG-OD1 3.27Å; G671-D677 PolarHBondContact N-OD1 3.45Å; N673-D677 PolarHBondContact ND2-O 3.25Å
678F91.7Very high91.4Very high7 Ų762.4 Ų62.43%0.03134%0.339CS..PPolyproline II helixtrans-80.8159.8163.5-61.1-86.1000110.3F628 A633 L637 L669 M672 N673 P680 L683F628-F678 AromaticContact CD1-CD1 3.54Å; F628-F678 HydrophobicContact CD1-CD1 3.54Å; F628-F678 AromaticContact CD1-CE1 3.49Å; F628-F678 HydrophobicContact CD1-CE1 3.49Å; F628-F678 VanDerWaalsContact CD1-CE1 3.49Å; F628-F678 AromaticContact CE1-CD1 3.59Å; F628-F678 HydrophobicContact CE1-CD1 3.59Å; F628-F678 AromaticContact CE1-CE1 3.77Å; F628-F678 HydrophobicContact CE1-CE1 3.77Å; F628-F678 HydrophobicContact CG-CE1 4.15Å; A633-F678 HydrophobicContact CB-CE1 4.12Å; A633-F678 HydrophobicContact CB-CZ 4.06Å; L637-F678 HydrophobicContact CB-CE1 4.27Å; L637-F678 HydrophobicContact CB-CZ 4.01Å; L637-F678 HydrophobicContact CD2-CD1 4.19Å; L637-F678 HydrophobicContact CD2-CE1 4.01Å; L637-F678 HydrophobicContact CD2-CZ 4.48Å; L669-F678 HydrophobicContact CB-CD2 4.1Å; L669-F678 HydrophobicContact CB-CE2 4.3Å; L669-F678 HydrophobicContact CD2-CE2 4.11Å; M672-F678 HydrophobicContact CB-CE2 4Å; N673-F678 HydrophobicContact CB-CD1 3.77Å; N673-F678 HydrophobicContact CB-CD2 4.06Å; N673-F678 HydrophobicContact CB-CE1 3.7Å; N673-F678 HydrophobicContact CB-CE2 4Å; N673-F678 HydrophobicContact CB-CG 3.95Å; N673-F678 HydrophobicContact CB-CZ 3.82Å; F678-P680 VanDerWaalsContact O-CD 3.3Å; F678-P680 WeakPolarHBondContact O-CD 3.47Å; F678-L683 HydrophobicContact CB-CD1 4.05Å; F678-L683 HydrophobicContact CB-CD2 3.88Å; F678-L683 HydrophobicContact CB-CG 3.88Å; F678-L683 HydrophobicContact CD2-CD2 4.38Å; F678-L683 HydrophobicContact CG-CD2 4.21Å
679D90.4Very high91.4Very high87 Ų8760.5 Ų60.547%0.46533%0.329SS..PPolyproline II helixtrans-56.7120.8172.7177.6-0.2000110.3K681 L682 L683D679-K681 PolarHBondContact O-N 3.33Å; D679-K681 VanDerWaalsContact O-N 3.12Å; D679-K681 WeakPolarHBondContact OD1-CB 3.43Å; D679-K681 PolarHBondContact OD1-N 3.08Å; D679-L682 HydrophobicContact CB-CB 4Å; D679-L682 WeakPolarHBondContact O-CB 3.35Å; D679-L682 PolarHBondContact O-N 3.4Å; D679-L683 PolarHBondContact O-N 2.72Å; D679-L683 VanDerWaalsContact O-N 3.09Å
680P90.5Very high91.5Very high81 Ų8160.2 Ų60.253%0.52633%0.328SS..Hα-helixtrans-54.5-31177.3-27.636.1000113.9F678 E684F678-P680 VanDerWaalsContact O-CD 3.3Å; F678-P680 WeakPolarHBondContact O-CD 3.47Å; P680-E684 WeakPolarHBondContact O-CB 3.33Å; P680-E684 PolarHBondContact O-N 3.32Å
681K90.9Very high91.4Very high163 Ų16361.3 Ų61.371%0.70933%0.325SS*.Hα-helixtrans-71.3-36.8176-67.1-177.2176.2-177.80112.6D679 E684 S685D679-K681 PolarHBondContact O-N 3.33Å; D679-K681 VanDerWaalsContact O-N 3.12Å; D679-K681 WeakPolarHBondContact OD1-CB 3.43Å; D679-K681 PolarHBondContact OD1-N 3.08Å; K681-E684 PolarHBondContact O-N 3.11Å; K681-S685 WeakPolarHBondContact O-CB 3.41Å; K681-S685 PolarHBondContact O-N 2.81Å
682L91.6Very high91.2Very high45 Ų4565.4 Ų65.424%0.23634%0.342CS..Hα-helixtrans-66.5-47.1176.1178.162000110.3P627 F628 D679 E684 S685 I686P627-L682 HydrophobicContact CG-CD2 3.73Å; F628-L682 HydrophobicContact CE1-CD2 3.63Å; F628-L682 HydrophobicContact CZ-CD2 3.98Å; D679-L682 HydrophobicContact CB-CB 4Å; D679-L682 WeakPolarHBondContact O-CB 3.35Å; D679-L682 PolarHBondContact O-N 3.4Å; L682-E684 VanDerWaalsContact C-N 3.27Å; L682-E684 PolarHBondContact O-N 3.06Å; L682-S685 PolarHBondContact O-N 3.15Å; L682-I686 HydrophobicContact CD1-CD1 3.91Å; L682-I686 HydrophobicContact CD1-CG1 4.3Å; L682-I686 HydrophobicContact CG-CD1 3.87Å; L682-I686 WeakPolarHBondContact O-CB 3.42Å; L682-I686 VanDerWaalsContact O-CG1 3.28Å; L682-I686 WeakPolarHBondContact O-CG1 3.29Å; L682-I686 PolarHBondContact O-N 3.33Å
683L94.2Very high90.9Very high5 Ų566.4 Ų66.43%0.02635%0.345CS..Hα-helixtrans-61.9-36.4175.3-62.9-170000112.2L637 F665 K666 L669 F678 D679 Y687L637-L683 HydrophobicContact CD1-CD2 3.81Å; F665-L683 HydrophobicContact CD1-CB 4.5Å; F665-L683 HydrophobicContact CE1-CB 4.3Å; F665-L683 HydrophobicContact CE1-CD2 4.24Å; K666-L683 HydrophobicContact CB-CD1 4.39Å; K666-L683 HydrophobicContact CG-CB 4.07Å; K666-L683 HydrophobicContact CG-CD1 4.15Å; L669-L683 HydrophobicContact CB-CD1 4.09Å; L669-L683 HydrophobicContact CD1-CD1 4.14Å; L669-L683 HydrophobicContact CD1-CD2 3.76Å; F678-L683 HydrophobicContact CB-CD1 4.05Å; F678-L683 HydrophobicContact CB-CD2 3.88Å; F678-L683 HydrophobicContact CB-CG 3.88Å; F678-L683 HydrophobicContact CD2-CD2 4.38Å; F678-L683 HydrophobicContact CG-CD2 4.21Å; D679-L683 PolarHBondContact O-N 2.72Å; D679-L683 VanDerWaalsContact O-N 3.09Å; L683-Y687 WeakPolarHBondContact O-CB 3.5Å; L683-Y687 PolarHBondContact O-N 3.03Å
684E93.9Very high90.6Very high87 Ų8768.8 Ų68.841%0.40736%0.356SS..Hα-helixtrans-69.1-41.3176.3-175.3156.814600112.8M662 K666 P680 K681 L682 N688M662-E684 HydrophobicContact CE-CB 4.35Å; M662-E684 HydrophobicContact CE-CG 3.73Å; M662-E684 HydrophobicContact SD-CB 4.01Å; M662-E684 HydrophobicContact SD-CG 3.94Å; K666-E684 IonicContact NZ-OE2 2.99Å; K666-E684 PolarHBondContact NZ-OE2 3.16Å; P680-E684 WeakPolarHBondContact O-CB 3.33Å; P680-E684 PolarHBondContact O-N 3.32Å; K681-E684 PolarHBondContact O-N 3.11Å; L682-E684 VanDerWaalsContact C-N 3.27Å; L682-E684 PolarHBondContact O-N 3.06Å; E684-N688 VanDerWaalsContact O-CB 3.32Å; E684-N688 WeakPolarHBondContact O-CB 3.23Å; E684-N688 VanDerWaalsContact O-CG 3.24Å; E684-N688 PolarHBondContact O-N 2.99Å; E684-N688 PolarHBondContact O-ND2 3.39Å
685S93.2Very high90.6Very high60 Ų6068.6 Ų68.642%0.4235%0.35SS..Hα-helixtrans-62.1-46.9171.7-1690000111.4K681 L682 N688 N689K681-S685 WeakPolarHBondContact O-CB 3.41Å; K681-S685 PolarHBondContact O-N 2.81Å; L682-S685 PolarHBondContact O-N 3.15Å; S685-N688 PolarHBondContact O-N 3.44Å; S685-N689 VanDerWaalsContact O-CB 3.29Å; S685-N689 WeakPolarHBondContact O-CB 3.45Å; S685-N689 PolarHBondContact O-N 3.33Å; S685-N689 PolarHBondContact O-OD1 2.95Å
686I94.7Very high90Very high1 Ų162.5 Ų62.51%0.00532%0.319CS..Hα-helixtrans-62.2-48179.4-72168.7000110.7I589 D590 L637 I641 F665 L682 N688 N689 I690I589-I686 HydrophobicContact CG2-CD1 4.03Å; D590-I686 HydrophobicContact CB-CG1 4.26Å; D590-I686 HydrophobicContact CB-CG2 4.27Å; L637-I686 HydrophobicContact CD2-CD1 4.15Å; I641-I686 HydrophobicContact CD1-CD1 4.47Å; I641-I686 HydrophobicContact CD1-CG2 3.86Å; I641-I686 HydrophobicContact CG1-CG2 3.7Å; F665-I686 HydrophobicContact CE1-CG2 4.34Å; F665-I686 HydrophobicContact CZ-CG2 4.28Å; L682-I686 HydrophobicContact CD1-CD1 3.91Å; L682-I686 HydrophobicContact CD1-CG1 4.3Å; L682-I686 HydrophobicContact CG-CD1 3.87Å; L682-I686 WeakPolarHBondContact O-CB 3.42Å; L682-I686 VanDerWaalsContact O-CG1 3.28Å; L682-I686 WeakPolarHBondContact O-CG1 3.29Å; L682-I686 PolarHBondContact O-N 3.33Å; I686-N688 PolarHBondContact O-N 3.33Å; I686-N689 PolarHBondContact O-N 2.65Å; I686-I690 HydrophobicContact CG2-CG1 4.41Å; I686-I690 VanDerWaalsContact O-CG1 3.29Å; I686-I690 WeakPolarHBondContact O-CG1 3.45Å; I686-I690 PolarHBondContact O-N 3.1Å
687Y96.3Very high89.3Confident24 Ų2458.2 Ų58.29%0.09430%0.299CS..Hα-helixtrans-60.1-46.3177.7-179.9-74.2000111.1L644 Q648 M660 R661 M662 F665 L683 N689 I690 H691L644-Y687 HydrophobicContact CD1-CD2 3.83Å; L644-Y687 HydrophobicContact CD1-CE2 3.82Å; L644-Y687 HydrophobicContact CD2-CD2 3.83Å; L644-Y687 HydrophobicContact CD2-CG 4.32Å; L644-Y687 HydrophobicContact CG-CD2 4.48Å; Q648-Y687 PolarHBondContact OE1-OH 2.95Å; M660-Y687 PolarHBondContact O-OH 3.35Å; R661-Y687 VanDerWaalsContact C-CE2 3.46Å; M662-Y687 HydrophobicContact CB-CD1 4.47Å; M662-Y687 HydrophobicContact CB-CE1 4.41Å; M662-Y687 HydrophobicContact CE-CD1 3.29Å; M662-Y687 HydrophobicContact CE-CE1 4.05Å; M662-Y687 HydrophobicContact CE-CG 3.72Å; M662-Y687 VanDerWaalsContact N-CE2 3.3Å; M662-Y687 PolarHBondContact N-OH 2.96Å; M662-Y687 HydrophobicContact SD-CD1 3.97Å; M662-Y687 HydrophobicContact SD-CD2 4.42Å; M662-Y687 HydrophobicContact SD-CG 3.78Å; F665-Y687 HydrophobicContact CB-CD2 3.9Å; F665-Y687 HydrophobicContact CB-CE2 4.39Å; F665-Y687 HydrophobicContact CD1-CD2 4.16Å; F665-Y687 HydrophobicContact CG-CD2 4.12Å; L683-Y687 WeakPolarHBondContact O-CB 3.5Å; L683-Y687 PolarHBondContact O-N 3.03Å; Y687-N689 VanDerWaalsContact C-N 3.35Å; Y687-N689 PolarHBondContact O-N 3.49Å; Y687-I690 PolarHBondContact O-N 3.18Å; Y687-H691 HydrophobicContact CD1-CB 4.33Å; Y687-H691 HydrophobicContact CE1-CB 4.14Å; Y687-H691 WeakPolarHBondContact O-CB 3.48Å; Y687-H691 PolarHBondContact O-N 3.44Å
688N94.4Very high87.9Confident62 Ų6253.8 Ų53.833%0.33228%0.276SS..Hα-helixtrans-66.1-36.2178.8-72.5-33000112.1M662 E684 S685 I686 N692M662-N688 VanDerWaalsContact CE-OD1 3.32Å; M662-N688 WeakPolarHBondContact CE-OD1 3.23Å; E684-N688 VanDerWaalsContact O-CB 3.32Å; E684-N688 WeakPolarHBondContact O-CB 3.23Å; E684-N688 VanDerWaalsContact O-CG 3.24Å; E684-N688 PolarHBondContact O-N 2.99Å; E684-N688 PolarHBondContact O-ND2 3.39Å; S685-N688 PolarHBondContact O-N 3.44Å; I686-N688 PolarHBondContact O-N 3.33Å; N688-N692 WeakPolarHBondContact O-CB 3.38Å; N688-N692 PolarHBondContact O-N 2.88Å; N688-N692 VanDerWaalsContact O-N 3.1Å; N688-N692 PolarHBondContact O-ND2 3.48Å
689N92.9Very high86.7Confident59 Ų5958.1 Ų58.132%0.31630%0.298SS..Hα-helixtrans-62.3-50.1173.9-76.8-10.5000111.1D590 S685 I686 Y687 H693D590-N689 VanDerWaalsContact OD2-CB 3.31Å; D590-N689 WeakPolarHBondContact OD2-CB 3.46Å; D590-N689 PolarHBondContact OD2-ND2 3.09Å; S685-N689 VanDerWaalsContact O-CB 3.29Å; S685-N689 WeakPolarHBondContact O-CB 3.45Å; S685-N689 PolarHBondContact O-N 3.33Å; S685-N689 PolarHBondContact O-OD1 2.95Å; I686-N689 PolarHBondContact O-N 2.65Å; Y687-N689 VanDerWaalsContact C-N 3.35Å; Y687-N689 PolarHBondContact O-N 3.49Å; N689-H693 WeakPolarHBondContact O-CA 3.46Å; N689-H693 VanDerWaalsContact O-CB 3.3Å; N689-H693 WeakPolarHBondContact O-CB 3.26Å; N689-H693 PolarHBondContact O-N 2.92Å; N689-H693 PolarHBondContact O-ND1 2.97Å
690I93.5Very high85.7Confident0 Ų059.1 Ų59.10%030%0.3CS..Hα-helixtrans-68.4-40.3-179.3-62.9-65000111.7D590 I641 L644 N645 H649 I686 Y687 H693 I695D590-I690 HydrophobicContact CB-CD1 4.47Å; I641-I690 HydrophobicContact CG2-CD1 3.71Å; I641-I690 HydrophobicContact CG2-CG1 4.11Å; L644-I690 HydrophobicContact CD2-CB 4.14Å; L644-I690 HydrophobicContact CD2-CG2 4.09Å; L644-I690 HydrophobicContact CG-CG2 4.11Å; N645-I690 HydrophobicContact CB-CG2 4.04Å; H649-I690 PolarHBondContact NE2-O 3.17Å; I686-I690 HydrophobicContact CG2-CG1 4.41Å; I686-I690 VanDerWaalsContact O-CG1 3.29Å; I686-I690 WeakPolarHBondContact O-CG1 3.45Å; I686-I690 PolarHBondContact O-N 3.1Å; Y687-I690 PolarHBondContact O-N 3.18Å; I690-H693 CarbonylContact O-C 3.6Å; I690-I695 HydrophobicContact CD1-CD1 3.6Å; I690-I695 HydrophobicContact CD1-CG1 3.74Å
691H90.6Very high84.7Confident88 Ų8857.9 Ų57.941%0.40729%0.287SS..Hα-helixtrans-63.5-43.8178.3-175.185.4000112.2Q648 H649 Y687Q648-H691 PolarHBondContact OE1-ND1 2.73Å; H649-H691 PolarHBondContact CE1-O 3.24Å; Y687-H691 HydrophobicContact CD1-CB 4.33Å; Y687-H691 HydrophobicContact CE1-CB 4.14Å; Y687-H691 WeakPolarHBondContact O-CB 3.48Å; Y687-H691 PolarHBondContact O-N 3.44Å
692N87.6Confident83.7Confident110 Ų11055.5 Ų55.559%0.58829%0.287SS*.Hα-helixtrans-82.7-25179.7-65.4-54.6000113.3N688N688-N692 WeakPolarHBondContact O-CB 3.38Å; N688-N692 PolarHBondContact O-N 2.88Å; N688-N692 VanDerWaalsContact O-N 3.1Å; N688-N692 PolarHBondContact O-ND2 3.48Å
693H83.5Confident82.8Confident107 Ų10755.7 Ų55.750%0.49530%0.299SS..SBendtrans-135.490-176.2-47.5100.8000111.4R594 N689 I690 I695R594-H693 PolarHBondContact NH2-O 2.89Å; N689-H693 WeakPolarHBondContact O-CA 3.46Å; N689-H693 VanDerWaalsContact O-CB 3.3Å; N689-H693 WeakPolarHBondContact O-CB 3.26Å; N689-H693 PolarHBondContact O-N 2.92Å; N689-H693 PolarHBondContact O-ND1 2.97Å; I690-H693 CarbonylContact O-C 3.6Å; H693-I695 PolarHBondContact O-N 2.8Å
694E84.8Confident81.6Confident62 Ų6259.1 Ų59.129%0.2932%0.317SS..  trans-46.1136.6171.4-178.9180-155.400111.9R594 H649 V696R594-E694 PolarHBondContact NH1-O 3.44Å; H649-E694 HydrophobicContact CB-CB 4.45Å; H649-E694 HydrophobicContact CB-CG 3.91Å; H649-E694 WeakPolarHBondContact CB-OE1 3.44Å; E694-V696 HydrophobicContact CB-CG2 3.91Å; E694-V696 HydrophobicContact CG-CG2 3.8Å; E694-V696 PolarHBondContact O-N 3.29Å; E694-V696 WeakPolarHBondContact OE2-CG2 3.45Å
695I85.4Confident80.6Confident14 Ų1458.4 Ų58.47%0.07232%0.318CS..  trans-73.186.9163.7-58.8179.3000107.3L597 I641 N645 I690 H693L597-I695 HydrophobicContact CD1-CG2 4.42Å; I641-I695 HydrophobicContact CG2-CD1 3.91Å; N645-I695 PolarHBondContact ND2-O 3.29Å; N645-I695 PolarHBondContact OD1-N 3.08Å; I690-I695 HydrophobicContact CD1-CD1 3.6Å; I690-I695 HydrophobicContact CD1-CG1 3.74Å; H693-I695 PolarHBondContact O-N 2.8Å
696V72.4Confident79.8Confident30 Ų3061 Ų6118%0.18232%0.319CS..  trans-79.4126.7-176.5166.50000111.7E694 Q701 V705E694-V696 HydrophobicContact CB-CG2 3.91Å; E694-V696 HydrophobicContact CG-CG2 3.8Å; E694-V696 PolarHBondContact O-N 3.29Å; E694-V696 WeakPolarHBondContact OE2-CG2 3.45Å; V696-Q701 HydrophobicContact CG1-CB 4.39Å; V696-Q701 HydrophobicContact CG1-CG 3.6Å; V696-V705 HydrophobicContact CG1-CG1 4.14Å; V696-V705 HydrophobicContact CG2-CG1 4.12Å
697M72Confident78.9Confident33 Ų3364 Ų6416%0.16333%0.333CS..  trans-87.6127.9162.5-73-52.9-61.600111.6L597 F600 I699 E700L597-M697 WeakPolarHBondContact O-CE 3.29Å; F600-M697 VanDerWaalsContact O-CE 3.26Å; F600-M697 WeakPolarHBondContact O-CE 3.49Å; M697-I699 PolarHBondContact O-N 2.96Å; M697-E700 HydrophobicContact CB-CG 4.25Å; M697-E700 PolarHBondContact O-N 3.01Å
698P61.5Low78.2Confident5 Ų565.6 Ų65.63%0.03234%0.343CS..THydrogen-bonded Turntrans-76.4-29.1-161.4-19.834.4000115.4R706 Y709P698-R706 WeakPolarHBondContact O-CD 3.28Å; P698-Y709 HydrophobicContact CB-CD1 3.36Å; P698-Y709 HydrophobicContact CB-CE1 3.32Å; P698-Y709 HydrophobicContact CB-CG 4.05Å; P698-Y709 HydrophobicContact CG-CD1 3.47Å; P698-Y709 VanDerWaalsContact CG-CD1 3.47Å; P698-Y709 HydrophobicContact CG-CD2 3.98Å; P698-Y709 HydrophobicContact CG-CE1 3.05Å; P698-Y709 HydrophobicContact CG-CE2 3.62Å; P698-Y709 HydrophobicContact CG-CG 3.91Å
699I66.4Low77.4Confident98 Ų9863.9 Ų63.950%0.50333%0.332SS..THydrogen-bonded Turntrans-76.6-20-176.5-64.8174.4000110.4K559 M697K559-I699 HydrophobicContact CB-CD1 3.93Å; K559-I699 HydrophobicContact CD-CD1 4.36Å; K559-I699 HydrophobicContact CG-CD1 4.18Å; M697-I699 PolarHBondContact O-N 2.96Å
700E68.8Low76.9Confident107 Ų10765 Ų6550%0.534%0.338SS..THydrogen-bonded Turntrans-90.2-18.2-179.1-54.4-175.8157.900112.3R601 M697R601-E700 IonicContact CZ-OE1 2.71Å; R601-E700 IonicContact NE-OE1 2.72Å; R601-E700 PolarHBondContact NE-OE1 3.43Å; R601-E700 IonicContact NH2-OE1 3.63Å; R601-E700 PolarHBondContact NH2-OE1 3.26Å; M697-E700 HydrophobicContact CB-CG 4.25Å; M697-E700 PolarHBondContact O-N 3.01Å
701Q70.7Confident76.5Confident56 Ų5666.2 Ų66.226%0.26234%0.343SS..  trans-98.3157.9179-66-64.2-5.400113.1V696 V705 R706V696-Q701 HydrophobicContact CG1-CB 4.39Å; V696-Q701 HydrophobicContact CG1-CG 3.6Å; Q701-V705 HydrophobicContact CB-CB 4.49Å; Q701-V705 HydrophobicContact CB-CG1 4.24Å; Q701-V705 HydrophobicContact CG-CG1 4.04Å; Q701-R706 HydrophobicContact CB-CB 4.34Å; Q701-R706 VanDerWaalsContact O-CD 3.26Å; Q701-R706 WeakPolarHBondContact O-CD 3.45Å
702T69Low76.2Confident113 Ų11368.5 Ų68.569%0.69335%0.351SS*.  trans-132.8162.8178.356.90000111.4
703G72.6Confident75.9Confident48 Ų4864.6 Ų64.650%0.49533%0.332SS..THydrogen-bonded Turntrans61.2-150.1-178.500000114.1V705 R706 E707G703-V705 VanDerWaalsContact C-N 3.25Å; G703-V705 PolarHBondContact O-N 2.97Å; G703-V705 VanDerWaalsContact O-N 3.09Å; G703-R706 PolarHBondContact O-N 3.07Å; G703-E707 PolarHBondContact O-N 3.49Å; G703-E707 VanDerWaalsContact O-N 3.09Å
704L70.1Confident76.1Confident78 Ų7860.2 Ų60.241%0.40831%0.312SS..Hα-helixtrans-53.5-32.7-170.3-75.1158.9000114.7E275 L320 E707 N708E275-L704 WeakPolarHBondContact OE1-CD1 3.23Å; L320-L704 HydrophobicContact CD2-CD2 4.19Å; L704-E707 PolarHBondContact O-N 3.13Å; L704-N708 VanDerWaalsContact O-CB 3.31Å; L704-N708 WeakPolarHBondContact O-CB 3.41Å; L704-N708 PolarHBondContact O-N 3.5Å; L704-N708 PolarHBondContact O-ND2 2.81Å
705V72Confident76.3Confident71 Ų7159.6 Ų59.643%0.4331%0.311SS..Hα-helixtrans-63.3-45.6177.6178.80000110.6V696 Q701 G703 Y709V696-V705 HydrophobicContact CG1-CG1 4.14Å; V696-V705 HydrophobicContact CG2-CG1 4.12Å; Q701-V705 HydrophobicContact CB-CB 4.49Å; Q701-V705 HydrophobicContact CB-CG1 4.24Å; Q701-V705 HydrophobicContact CG-CG1 4.04Å; G703-V705 VanDerWaalsContact C-N 3.25Å; G703-V705 PolarHBondContact O-N 2.97Å; G703-V705 VanDerWaalsContact O-N 3.09Å; V705-Y709 WeakPolarHBondContact O-CB 3.16Å; V705-Y709 PolarHBondContact O-N 3.15Å; V705-Y709 VanDerWaalsContact O-N 3.12Å
706R76.8Confident76.2Confident115 Ų11563.6 Ų63.643%0.43433%0.325SS..Hα-helixtrans-69.2-39176.4175.6177161.7-171.4-5.4111.7P698 Q701 G703 Y709 L710P698-R706 WeakPolarHBondContact O-CD 3.28Å; Q701-R706 HydrophobicContact CB-CB 4.34Å; Q701-R706 VanDerWaalsContact O-CD 3.26Å; Q701-R706 WeakPolarHBondContact O-CD 3.45Å; G703-R706 PolarHBondContact O-N 3.07Å; R706-Y709 PolarHBondContact O-N 3.48Å; R706-L710 HydrophobicContact CG-CD1 3.98Å; R706-L710 HydrophobicContact CG-CG 4.35Å; R706-L710 WeakPolarHBondContact O-CB 3.44Å; R706-L710 VanDerWaalsContact O-CG 3.31Å; R706-L710 WeakPolarHBondContact O-CG 3.3Å; R706-L710 PolarHBondContact O-N 3.41Å
707E76.7Confident76.8Confident64 Ų6464.8 Ų64.830%0.29933%0.326SS..Hα-helixtrans-66.1-45.7177.7-67.8-176.313000112.1Y323 G703 L704 Y709 L710 W711Y323-E707 PolarHBondContact OH-OE1 3.44Å; G703-E707 PolarHBondContact O-N 3.49Å; G703-E707 VanDerWaalsContact O-N 3.09Å; L704-E707 PolarHBondContact O-N 3.13Å; E707-Y709 VanDerWaalsContact C-N 3.28Å; E707-Y709 PolarHBondContact O-N 3.35Å; E707-L710 PolarHBondContact O-N 3.35Å; E707-W711 WeakPolarHBondContact O-CB 3.41Å; E707-W711 PolarHBondContact O-N 3.37Å
708N80.4Confident77.4Confident57 Ų5763.4 Ų63.431%0.30532%0.32SS..Hα-helixtrans-58.8-39.7173.9-82.4-71.7000112K316 L704 K712K316-N708 WeakPolarHBondContact CE-OD1 3.48Å; K316-N708 PolarHBondContact NZ-OD1 2.96Å; L704-N708 VanDerWaalsContact O-CB 3.31Å; L704-N708 WeakPolarHBondContact O-CB 3.41Å; L704-N708 PolarHBondContact O-N 3.5Å; L704-N708 PolarHBondContact O-ND2 2.81Å; N708-K712 PolarHBondContact O-N 2.95Å; N708-K712 VanDerWaalsContact O-N 3.15Å
709Y78.1Confident78.4Confident27 Ų2767.9 Ų67.911%0.10635%0.351CS..Hα-helixtrans-63.4-51.2173.4165.8-88.1000112.3K559 E598 P698 V705 R706 E707 W711 K712 C713K559-Y709 PolarHBondContact NZ-OH 3.39Å; E598-Y709 HydrophobicContact CG-CE2 3.54Å; E598-Y709 WeakPolarHBondContact CG-OH 3.4Å; E598-Y709 WeakPolarHBondContact OE1-CE2 3.42Å; E598-Y709 PolarHBondContact OE1-OH 2.93Å; P698-Y709 HydrophobicContact CB-CD1 3.36Å; P698-Y709 HydrophobicContact CB-CE1 3.32Å; P698-Y709 HydrophobicContact CB-CG 4.05Å; P698-Y709 HydrophobicContact CG-CD1 3.47Å; P698-Y709 VanDerWaalsContact CG-CD1 3.47Å; P698-Y709 HydrophobicContact CG-CD2 3.98Å; P698-Y709 HydrophobicContact CG-CE1 3.05Å; P698-Y709 HydrophobicContact CG-CE2 3.62Å; P698-Y709 HydrophobicContact CG-CG 3.91Å; V705-Y709 WeakPolarHBondContact O-CB 3.16Å; V705-Y709 PolarHBondContact O-N 3.15Å; V705-Y709 VanDerWaalsContact O-N 3.12Å; R706-Y709 PolarHBondContact O-N 3.48Å; E707-Y709 VanDerWaalsContact C-N 3.28Å; E707-Y709 PolarHBondContact O-N 3.35Å; Y709-W711 PolarHBondContact O-N 3.08Å; Y709-K712 WeakPolarHBondContact O-CB 3.49Å; Y709-K712 PolarHBondContact O-N 3.36Å; Y709-K712 VanDerWaalsContact O-N 3.07Å; Y709-C713 WeakPolarHBondContact CE1-SG 3.33Å; Y709-C713 VanDerWaalsContact CE2-SG 3.55Å; Y709-C713 PolarHBondContact O-N 2.85Å; Y709-C713 PolarHBondContact O-SG 2.96Å; Y709-C713 PolarHBondContact OH-SG 2.8Å
710L81.3Confident79.2Confident83 Ų8366.3 Ų66.344%0.43535%0.346SS..Hα-helixtrans-61.3-34.6-178.6-73.1172.5000110.8R706 E707 C713 L714R706-L710 HydrophobicContact CG-CD1 3.98Å; R706-L710 HydrophobicContact CG-CG 4.35Å; R706-L710 WeakPolarHBondContact O-CB 3.44Å; R706-L710 VanDerWaalsContact O-CG 3.31Å; R706-L710 WeakPolarHBondContact O-CG 3.3Å; R706-L710 PolarHBondContact O-N 3.41Å; E707-L710 PolarHBondContact O-N 3.35Å; L710-C713 WeakPolarHBondContact O-CB 3.48Å; L710-C713 PolarHBondContact O-N 2.89Å; L710-L714 PolarHBondContact O-N 2.82Å
711W86.7Confident79.7Confident25 Ų2570.4 Ų70.410%0.09536%0.362CS..Hα-helixtrans-61.4-50.3171.7-158.1-103000112.3G312 T315 K316 M319 Q351 V354 E707 Y709 C713 L714 L715G312-W711 PolarHBondContact O-NE1 3.06Å; G312-W711 VanDerWaalsContact O-NE1 3.12Å; T315-W711 WeakPolarHBondContact OG1-CZ2 3.28Å; K316-W711 HydrophobicContact CB-CD2 4.25Å; K316-W711 HydrophobicContact CB-CG 4.45Å; K316-W711 HydrophobicContact CB-CZ2 4.11Å; K316-W711 HydrophobicContact CG-CD2 4.24Å; K316-W711 HydrophobicContact CG-CG 4.13Å; K316-W711 VanDerWaalsContact N-CZ2 3.33Å; M319-W711 HydrophobicContact CB-CZ3 4.42Å; M319-W711 HydrophobicContact CG-CH2 3.92Å; M319-W711 HydrophobicContact CG-CZ3 3.83Å; Q351-W711 HydrophobicContact CG-CH2 4.02Å; Q351-W711 HydrophobicContact CG-CZ2 4.1Å; V354-W711 HydrophobicContact CG1-CZ3 4.4Å; E707-W711 WeakPolarHBondContact O-CB 3.41Å; E707-W711 PolarHBondContact O-N 3.37Å; Y709-W711 PolarHBondContact O-N 3.08Å; W711-C713 PolarHBondContact O-N 3.06Å; W711-L714 HydrophobicContact CZ3-CD1 4.25Å; W711-L714 WeakPolarHBondContact O-CB 3.17Å; W711-L714 PolarHBondContact O-N 3.33Å; W711-L715 WeakPolarHBondContact O-CG 3.35Å; W711-L715 PolarHBondContact O-N 2.91Å
712K83.5Confident80.1Confident135 Ų13569.1 Ų69.159%0.58736%0.356SS*.Hα-helixtrans-56.7-32.4175.2-72.8-178.3177-173.70112.9N708 Y709 R716N708-K712 PolarHBondContact O-N 2.95Å; N708-K712 VanDerWaalsContact O-N 3.15Å; Y709-K712 WeakPolarHBondContact O-CB 3.49Å; Y709-K712 PolarHBondContact O-N 3.36Å; Y709-K712 VanDerWaalsContact O-N 3.07Å; K712-R716 PolarHBondContact O-N 3.34Å; K712-R716 VanDerWaalsContact O-N 3.14Å; K712-R716 PolarHBondContact O-NE 2.75Å; K712-R716 VanDerWaalsContact O-NE 3.1Å
713C81.9Confident81Confident28 Ų2864.3 Ų64.319%0.18933%0.328CS..Hα-helixtrans-69.5-46.6174-58.80000112.4E598 Y709 L710 W711 L715 R716 R717E598-C713 PolarHBondContact OE1-SG 2.99Å; Y709-C713 WeakPolarHBondContact CE1-SG 3.33Å; Y709-C713 VanDerWaalsContact CE2-SG 3.55Å; Y709-C713 PolarHBondContact O-N 2.85Å; Y709-C713 PolarHBondContact O-SG 2.96Å; Y709-C713 PolarHBondContact OH-SG 2.8Å; L710-C713 WeakPolarHBondContact O-CB 3.48Å; L710-C713 PolarHBondContact O-N 2.89Å; W711-C713 PolarHBondContact O-N 3.06Å; C713-L715 VanDerWaalsContact C-N 3.3Å; C713-L715 PolarHBondContact O-N 3.43Å; C713-R716 PolarHBondContact O-N 3.28Å; C713-R716 PolarHBondContact SG-NH2 2.99Å; C713-R717 WeakPolarHBondContact O-CB 3.36Å; C713-R717 PolarHBondContact O-N 3.47Å
714L87.6Confident81.7Confident16 Ų1667.6 Ų67.68%0.08433%0.334CS..Hα-helixtrans-59.1-42.8176-173.4155.8000111.1L350 Q351 V354 L710 W711 R717 S718L350-L714 HydrophobicContact CB-CD2 4.05Å; L350-L714 HydrophobicContact CB-CG 3.98Å; Q351-L714 VanDerWaalsContact CD-CD2 3.48Å; Q351-L714 HydrophobicContact CG-CD2 3.8Å; V354-L714 HydrophobicContact CB-CD1 4.22Å; V354-L714 HydrophobicContact CG2-CD1 3.34Å; L710-L714 PolarHBondContact O-N 2.82Å; W711-L714 HydrophobicContact CZ3-CD1 4.25Å; W711-L714 WeakPolarHBondContact O-CB 3.17Å; W711-L714 PolarHBondContact O-N 3.33Å; L714-R717 PolarHBondContact O-N 3.19Å; L714-S718 WeakPolarHBondContact O-CB 3.44Å; L714-S718 PolarHBondContact O-N 3.3Å
715L88.1Confident82.8Confident49 Ų4964.7 Ų64.726%0.25732%0.318SS..Hα-helixtrans-60.8-48.1175.5-63.8-175.8000111.9R311 W711 C713 S718 S719R311-L715 HydrophobicContact CG-CD2 4.49Å; R311-L715 WeakPolarHBondContact O-CD2 3.31Å; W711-L715 WeakPolarHBondContact O-CG 3.35Å; W711-L715 PolarHBondContact O-N 2.91Å; C713-L715 VanDerWaalsContact C-N 3.3Å; C713-L715 PolarHBondContact O-N 3.43Å; L715-S718 WeakPolarHBondContact O-CB 3.27Å; L715-S718 PolarHBondContact O-N 3.22Å; L715-S718 VanDerWaalsContact O-N 3.17Å; L715-S718 PolarHBondContact O-OG 3.18Å; L715-S719 PolarHBondContact O-N 3.49Å
716R84Confident83.6Confident97 Ų9763.3 Ų63.337%0.36631%0.307SS..Hα-helixtrans-59.8-47.2174.6-76.1174.9-68.8-165.67.8111.8E598 K712 C713 S718 S719E598-R716 IonicContact OE1-CZ 2.64Å; E598-R716 IonicContact OE1-NH1 3.97Å; E598-R716 IonicContact OE1-NH2 3.89Å; E598-R716 PolarHBondContact OE1-NH2 3.36Å; E598-R716 IonicContact OE2-CZ 2.8Å; E598-R716 IonicContact OE2-NH1 2.76Å; E598-R716 PolarHBondContact OE2-NH1 3.17Å; E598-R716 IonicContact OE2-NH2 2.94Å; E598-R716 PolarHBondContact OE2-NH2 3.28Å; K712-R716 PolarHBondContact O-N 3.34Å; K712-R716 VanDerWaalsContact O-N 3.14Å; K712-R716 PolarHBondContact O-NE 2.75Å; K712-R716 VanDerWaalsContact O-NE 3.1Å; C713-R716 PolarHBondContact O-N 3.28Å; C713-R716 PolarHBondContact SG-NH2 2.99Å; R716-S718 PolarHBondContact O-N 2.8Å; R716-S719 PolarHBondContact O-N 2.92Å; R716-S719 VanDerWaalsContact O-N 3.08Å
717R84.9Confident84.3Confident56 Ų5659 Ų5921%0.21129%0.292CS..Hα-helixtrans-58.9-35.7175.9-161.2168.974.8135.50.7111.4L350 E353 Y404 C713 L714 S719 T720 Q722L350-R717 VanDerWaalsContact CD1-C 3.45Å; L350-R717 HydrophobicContact CD1-CB 3.64Å; L350-R717 HydrophobicContact CD1-CG 3.62Å; E353-R717 IonicContact OE2-CZ 3.81Å; E353-R717 IonicContact OE2-NH2 3.8Å; E353-R717 PolarHBondContact OE2-NH2 3.28Å; Y404-R717 PolarHBondContact O-NH1 3.22Å; C713-R717 WeakPolarHBondContact O-CB 3.36Å; C713-R717 PolarHBondContact O-N 3.47Å; L714-R717 PolarHBondContact O-N 3.19Å; R717-S719 PolarHBondContact O-N 2.87Å; R717-T720 WeakPolarHBondContact O-CB 3.07Å; R717-T720 PolarHBondContact O-N 2.72Å; R717-T720 VanDerWaalsContact O-N 3.08Å; R717-T720 PolarHBondContact O-OG1 2.78Å; R717-Q722 VanDerWaalsContact CD-OE1 3.29Å; R717-Q722 VanDerWaalsContact CG-OE1 3.26Å
718S85Confident84.7Confident3 Ų356 Ų562%0.02128%0.278CS..Hα-helixtrans-67.9-19.4178.782.60000113.8R311 L714 L715 R716 A723R311-S718 VanDerWaalsContact NH1-C 3.27Å; R311-S718 PolarHBondContact NH1-O 3Å; R311-S718 PolarHBondContact NH1-OG 3.35Å; R311-S718 PolarHBondContact NH2-O 3.43Å; L714-S718 WeakPolarHBondContact O-CB 3.44Å; L714-S718 PolarHBondContact O-N 3.3Å; L715-S718 WeakPolarHBondContact O-CB 3.27Å; L715-S718 PolarHBondContact O-N 3.22Å; L715-S718 VanDerWaalsContact O-N 3.17Å; L715-S718 PolarHBondContact O-OG 3.18Å; R716-S718 PolarHBondContact O-N 2.8Å; S718-A723 WeakPolarHBondContact O-CB 3.28Å
719S81.6Confident84.7Confident99 Ų9958.8 Ų58.869%0.69229%0.289SS*.THydrogen-bonded Turntrans-910.9174.4-59.20000113.4L715 R716 R717L715-S719 PolarHBondContact O-N 3.49Å; R716-S719 PolarHBondContact O-N 2.92Å; R716-S719 VanDerWaalsContact O-N 3.08Å; R717-S719 PolarHBondContact O-N 2.87Å
720T82.8Confident84.7Confident65 Ų6558.5 Ų58.540%0.39929%0.291SS..SBendtrans-96.3171.8176.475.40000112.2R717 Q722 A723R717-T720 WeakPolarHBondContact O-CB 3.07Å; R717-T720 PolarHBondContact O-N 2.72Å; R717-T720 VanDerWaalsContact O-N 3.08Å; R717-T720 PolarHBondContact O-OG1 2.78Å; T720-Q722 PolarHBondContact O-N 2.82Å; T720-Q722 VanDerWaalsContact O-N 3.16Å; T720-Q722 WeakPolarHBondContact OG1-CB 3.27Å; T720-Q722 PolarHBondContact OG1-N 3.37Å; T720-A723 WeakPolarHBondContact O-CB 3.46Å; T720-A723 PolarHBondContact O-N 3.25Å; T720-A723 VanDerWaalsContact O-N 3.09Å
721K80.1Confident84.5Confident193 Ų19355.6 Ų55.684%0.83928%0.28SS*.G310 helixtrans-57.8-24.6172.5-65.2-179.5-178.8176.20113.6A723 L724K721-A723 PolarHBondContact O-N 2.71Å; K721-A723 VanDerWaalsContact O-N 3.16Å; K721-L724 VanDerWaalsContact O-CB 3.27Å; K721-L724 WeakPolarHBondContact O-CB 3.25Å; K721-L724 PolarHBondContact O-N 3.03Å; K721-L724 VanDerWaalsContact O-N 3.07Å
722Q79.9Confident84.1Confident29 Ų2955.7 Ų55.714%0.13629%0.287CS..G310 helixtrans-62.3-20.8177.1-56.6-177.1-1.500112.4K349 E553 R717 T720 L724K349-Q722 PolarHBondContact NZ-O 2.75Å; E553-Q722 PolarHBondContact OE2-NE2 2.92Å; R717-Q722 VanDerWaalsContact CD-OE1 3.29Å; R717-Q722 VanDerWaalsContact CG-OE1 3.26Å; T720-Q722 PolarHBondContact O-N 2.82Å; T720-Q722 VanDerWaalsContact O-N 3.16Å; T720-Q722 WeakPolarHBondContact OG1-CB 3.27Å; T720-Q722 PolarHBondContact OG1-N 3.37Å; Q722-L724 VanDerWaalsContact C-N 3.26Å; Q722-L724 PolarHBondContact O-N 2.85Å
723A85.8Confident84.2Confident12 Ų1251 Ų5110%0.09927%0.266CS..G310 helixtrans-76.8-5.617600000114.6S718 T720 K721 F725S718-A723 WeakPolarHBondContact O-CB 3.28Å; T720-A723 WeakPolarHBondContact O-CB 3.46Å; T720-A723 PolarHBondContact O-N 3.25Å; T720-A723 VanDerWaalsContact O-N 3.09Å; K721-A723 PolarHBondContact O-N 2.71Å; K721-A723 VanDerWaalsContact O-N 3.16Å; A723-F725 PolarHBondContact O-N 3.38Å
724L89.1Confident84.5Confident117 Ų11750 Ų5061%0.61326%0.259SS*.  trans-59.2131.3178.9-176.866.4000110.8K349 K721 Q722K349-L724 WeakPolarHBondContact CD-O 3.36Å; K349-L724 PolarHBondContact NZ-O 2.9Å; K721-L724 VanDerWaalsContact O-CB 3.27Å; K721-L724 WeakPolarHBondContact O-CB 3.25Å; K721-L724 PolarHBondContact O-N 3.03Å; K721-L724 VanDerWaalsContact O-N 3.07Å; Q722-L724 VanDerWaalsContact C-N 3.26Å; Q722-L724 PolarHBondContact O-N 2.85Å
725F91.7Very high84.6Confident18 Ų1850.1 Ų50.18%0.07926%0.262CS..  trans-121.9131.9178.5-169.4-77.4000109.8R345 K349 E394 N398 Y399 A723 H727R345-F725 HydrophobicContact CB-CE2 4.4Å; R345-F725 HydrophobicContact CB-CZ 4.43Å; R345-F725 HydrophobicContact CG-CZ 4.39Å; K349-F725 HydrophobicContact CB-CD2 4.18Å; K349-F725 HydrophobicContact CG-CD2 4.18Å; E394-F725 HydrophobicContact CB-CE1 4.22Å; E394-F725 HydrophobicContact CB-CZ 3.92Å; E394-F725 HydrophobicContact CG-CE1 4.46Å; N398-F725 HydrophobicContact CB-CD2 4.09Å; N398-F725 HydrophobicContact CB-CE2 4.16Å; N398-F725 WeakPolarHBondContact OD1-CA 3.35Å; Y399-F725 HydrophobicContact CE2-CE2 4.19Å; A723-F725 PolarHBondContact O-N 3.38Å; F725-H727 AromaticContact CE1-CE1 3.77Å; F725-H727 AromaticContact CE1-ND1 3.61Å
726I90.1Very high84.6Confident41 Ų4147.8 Ų47.821%0.2125%0.25CS..  trans-101.5120.1177.9-55.7177000108I397 N398 L498 V728I397-I726 HydrophobicContact CG2-CB 4.43Å; I397-I726 HydrophobicContact CG2-CD1 4.34Å; N398-I726 PolarHBondContact ND2-O 2.94Å; N398-I726 PolarHBondContact OD1-N 3.4Å; L498-I726 HydrophobicContact CD2-CG2 4.22Å; I726-V728 HydrophobicContact CG2-CG2 4.12Å
727H90.8Very high85Confident26 Ų2643.3 Ų43.312%0.1223%0.233CC..  trans-82.9143.5170.6-77.5-61.8000110.9R345 S346 E394 H491 V493 F725R345-H727 PolarHBondContact NH1-CE1 3.3Å; R345-H727 PolarHBondContact NH1-ND1 3.47Å; S346-H727 VanDerWaalsContact CB-NE2 3.3Å; S346-H727 WeakPolarHBondContact CB-NE2 3.03Å; S346-H727 PolarHBondContact OG-NE2 3.06Å; E394-H727 VanDerWaalsContact OE1-CA 3.31Å; E394-H727 WeakPolarHBondContact OE1-CA 3.11Å; E394-H727 IonicContact OE1-CE1 3.55Å; E394-H727 IonicContact OE1-CG 2.76Å; E394-H727 IonicContact OE1-ND1 2.77Å; E394-H727 PolarHBondContact OE1-ND1 3.18Å; H491-H727 HydrophobicContact CB-CB 4.27Å; H491-H727 VanDerWaalsContact CB-CE1 3.45Å; H491-H727 WeakPolarHBondContact CB-CE1 3.39Å; H491-H727 WeakPolarHBondContact CB-ND1 3.11Å; H491-H727 AromaticContact CD2-CE1 3.36Å; H491-H727 PolarHBondContact CD2-CE1 2.91Å; H491-H727 AromaticContact CD2-NE2 3.59Å; H491-H727 AromaticContact CG-CE1 3.26Å; H491-H727 AromaticContact CG-ND1 3.62Å; H491-H727 AromaticContact CG-NE2 3.74Å; H491-H727 AromaticContact ND1-CE1 3.91Å; V493-H727 WeakPolarHBondContact CG1-O 3.5Å; V493-H727 HydrophobicContact CG2-CB 4.36Å; F725-H727 AromaticContact CE1-CE1 3.77Å; F725-H727 AromaticContact CE1-ND1 3.61Å
728V86Confident85.4Confident0 Ų040.7 Ų40.70%022%0.223CC..  trans-138.3145.7-170.2-171.50000111.2E394 I397 N489 L498 I726 A732 F733E394-V728 HydrophobicContact CG-CB 3.87Å; E394-V728 HydrophobicContact CG-CG2 4.03Å; E394-V728 PolarHBondContact OE1-N 3.44Å; I397-V728 HydrophobicContact CD1-CG1 4.32Å; I397-V728 HydrophobicContact CD1-CG2 3.74Å; N489-V728 PolarHBondContact ND2-O 2.87Å; L498-V728 HydrophobicContact CD2-CB 4.33Å; L498-V728 HydrophobicContact CD2-CG1 4.08Å; L498-V728 HydrophobicContact CD2-CG2 3.85Å; I726-V728 HydrophobicContact CG2-CG2 4.12Å; V728-A732 HydrophobicContact CG1-CB 3.6Å; V728-F733 HydrophobicContact CG1-CD2 4.48Å; V728-F733 HydrophobicContact CG1-CE2 4.3Å
729Q80.4Confident85.8Confident115 Ų11545.1 Ų45.154%0.53724%0.244SC..  trans-72.7144.1174-69.9-176-1.500110.5V493 G731 A732V493-Q729 HydrophobicContact CB-CG 4.07Å; V493-Q729 HydrophobicContact CG1-CG 4.07Å; V493-Q729 HydrophobicContact CG2-CG 3.86Å; Q729-G731 PolarHBondContact O-N 2.86Å; Q729-A732 PolarHBondContact O-N 3.38Å
730T78.2Confident86.2Confident22 Ų2242 Ų4214%0.13522%0.219CC..THydrogen-bonded Turntrans-60.7131.6172.9-410000109.5P389 G390 T443 V486P389-T730 WeakPolarHBondContact CB-OG1 3.14Å; G390-T730 PolarHBondContact N-OG1 3.29Å; T443-T730 HydrophobicContact CG2-CG2 3.39Å; V486-T730 HydrophobicContact CG1-CG2 3.75Å
731G76.3Confident86.6Confident21 Ų2139 Ų3922%0.21620%0.2CC..THydrogen-bonded Turntrans105.8-9.8-175.500000115.9Q729 D734Q729-G731 PolarHBondContact O-N 2.86Å; G731-D734 VanDerWaalsContact CA-OD1 3.24Å; G731-D734 WeakPolarHBondContact CA-OD1 3.49Å; G731-D734 WeakPolarHBondContact CA-OD2 3.29Å
732A78.2Confident87.2Confident28 Ų2832 Ų3223%0.23117%0.169CC..SBendtrans-88.3135.4178.700000111.4A393 V728 Q729 D734A393-A732 WeakPolarHBondContact CB-O 3.5Å; V728-A732 HydrophobicContact CG1-CB 3.6Å; Q729-A732 PolarHBondContact O-N 3.38Å; A732-D734 PolarHBondContact O-N 3.24Å
733F84.8Confident87.7Confident36 Ų3631.5 Ų31.516%0.15817%0.172CC..SBendtrans62.915.4-178-44-83.1000114.5I397 P499 R501 L504 V728 A735 D736 L737I397-F733 HydrophobicContact CD1-CD2 3.48Å; I397-F733 VanDerWaalsContact CD1-CD2 3.48Å; I397-F733 HydrophobicContact CD1-CE2 3.58Å; I397-F733 HydrophobicContact CD1-CG 4.33Å; I397-F733 HydrophobicContact CG1-CD2 4.4Å; P499-F733 WeakPolarHBondContact O-CZ 3.23Å; R501-F733 HydrophobicContact CB-CD1 4.38Å; R501-F733 HydrophobicContact CB-CE1 4.29Å; L504-F733 HydrophobicContact CD1-CD1 3.48Å; L504-F733 VanDerWaalsContact CD1-CD1 3.48Å; L504-F733 HydrophobicContact CD1-CD2 4.38Å; L504-F733 HydrophobicContact CD1-CE1 3.38Å; L504-F733 HydrophobicContact CD1-CE2 4.3Å; L504-F733 HydrophobicContact CD1-CG 4Å; L504-F733 HydrophobicContact CD1-CZ 3.82Å; L504-F733 HydrophobicContact CG-CE1 4.41Å; V728-F733 HydrophobicContact CG1-CD2 4.48Å; V728-F733 HydrophobicContact CG1-CE2 4.3Å; F733-A735 PolarHBondContact O-N 3.06Å; F733-A735 VanDerWaalsContact O-N 3.09Å; F733-D736 HydrophobicContact CB-CB 4.37Å; F733-D736 WeakPolarHBondContact O-CA 3.47Å; F733-D736 WeakPolarHBondContact O-CB 3.49Å; F733-D736 PolarHBondContact O-N 3.48Å; F733-L737 PolarHBondContact O-N 2.98Å
734D89.5Confident87.8Confident8 Ų832.7 Ų32.74%0.04318%0.178CC..Hα-helixtrans-50.7-33.8177.9-81.923.8000113.9I444 G731 A732 F738 Y779I444-D734 WeakPolarHBondContact CA-OD2 3.49Å; I444-D734 HydrophobicContact CG1-CB 4.03Å; I444-D734 HydrophobicContact CG2-CB 3.99Å; G731-D734 VanDerWaalsContact CA-OD1 3.24Å; G731-D734 WeakPolarHBondContact CA-OD1 3.49Å; G731-D734 WeakPolarHBondContact CA-OD2 3.29Å; A732-D734 PolarHBondContact O-N 3.24Å; D734-F738 VanDerWaalsContact O-CB 3.29Å; D734-F738 WeakPolarHBondContact O-CB 3.24Å; D734-F738 PolarHBondContact O-N 3.5Å; D734-Y779 VanDerWaalsContact CB-OH 3.26Å; D734-Y779 WeakPolarHBondContact CB-OH 3.48Å
735A88.6Confident87.9Confident17 Ų1727.1 Ų27.114%0.1415%0.149CC..Hα-helixtrans-70.9-38.2173.400000113.3R501 F733 L737 F738 E739 Y779R501-A735 VanDerWaalsContact NH1-CB 3.34Å; F733-A735 PolarHBondContact O-N 3.06Å; F733-A735 VanDerWaalsContact O-N 3.09Å; A735-L737 VanDerWaalsContact C-N 3.32Å; A735-F738 PolarHBondContact O-N 2.69Å; A735-E739 WeakPolarHBondContact O-CB 3.42Å; A735-E739 PolarHBondContact O-N 3.12Å; A735-Y779 HydrophobicContact CB-CD1 3.73Å; A735-Y779 HydrophobicContact CB-CD2 4.02Å; A735-Y779 HydrophobicContact CB-CE1 3.75Å; A735-Y779 HydrophobicContact CB-CE2 4.03Å; A735-Y779 HydrophobicContact CB-CG 3.88Å
736D88.5Confident87.9Confident1 Ų126.6 Ų26.61%0.00515%0.147CC..Hα-helixtrans-67.6-34.5173.9-54.7-91.5000111.2Y396 R501 F733Y396-D736 HydrophobicContact CD1-CB 4.44Å; Y396-D736 HydrophobicContact CE1-CB 3.57Å; R501-D736 WeakPolarHBondContact CD-OD2 3.29Å; R501-D736 IonicContact CZ-OD1 2.71Å; R501-D736 IonicContact CZ-OD2 2.63Å; R501-D736 IonicContact NE-OD1 3.11Å; R501-D736 PolarHBondContact NE-OD1 3.02Å; R501-D736 IonicContact NE-OD2 3.86Å; R501-D736 IonicContact NH1-OD1 3.92Å; R501-D736 PolarHBondContact NH1-OD1 2.98Å; R501-D736 VanDerWaalsContact NH1-OD1 3.16Å; R501-D736 IonicContact NH1-OD2 2.66Å; R501-D736 PolarHBondContact NH1-OD2 3.35Å; R501-D736 IonicContact NH2-OD1 3.87Å; F733-D736 HydrophobicContact CB-CB 4.37Å; F733-D736 WeakPolarHBondContact O-CA 3.47Å; F733-D736 WeakPolarHBondContact O-CB 3.49Å; F733-D736 PolarHBondContact O-N 3.48Å
737L92.1Very high87.8Confident3 Ų327.5 Ų27.52%0.01616%0.157CC..Hα-helixtrans-68.3-45.2172.2-63.7176.5000111.3A392 A393 Y396 F409 I444 F733 A735 E739 L740 I741A392-L737 HydrophobicContact CB-CD1 4.18Å; A393-L737 HydrophobicContact CB-CD1 4.05Å; Y396-L737 HydrophobicContact CD1-CD2 4.2Å; Y396-L737 HydrophobicContact CG-CD2 3.91Å; F409-L737 HydrophobicContact CD1-CD2 3.92Å; F409-L737 HydrophobicContact CD2-CD2 4.47Å; F409-L737 HydrophobicContact CE1-CB 4.35Å; F409-L737 HydrophobicContact CE1-CD2 3.65Å; F409-L737 HydrophobicContact CE2-CD2 4.24Å; F409-L737 HydrophobicContact CG-CD2 4.33Å; F409-L737 HydrophobicContact CZ-CB 4.31Å; F409-L737 HydrophobicContact CZ-CD2 3.83Å; I444-L737 HydrophobicContact CD1-CB 4.3Å; F733-L737 PolarHBondContact O-N 2.98Å; A735-L737 VanDerWaalsContact C-N 3.32Å; L737-E739 PolarHBondContact O-N 2.84Å; L737-L740 PolarHBondContact O-N 3.25Å; L737-I741 VanDerWaalsContact O-CG2 3.29Å; L737-I741 WeakPolarHBondContact O-CG2 3.4Å; L737-I741 PolarHBondContact O-N 3.27Å
738F94.7Very high87.7Confident0 Ų026.2 Ų26.20%015%0.151CC..Hα-helixtrans-61.4-44.2179.7-173.4-114.6000111.5L441 I444 D734 A735 L740 I741 W742 C772 I775 A776 M781 V784L441-F738 HydrophobicContact CD2-CD2 3.66Å; L441-F738 HydrophobicContact CD2-CE2 3.7Å; I444-F738 HydrophobicContact CD1-CB 4.35Å; D734-F738 VanDerWaalsContact O-CB 3.29Å; D734-F738 WeakPolarHBondContact O-CB 3.24Å; D734-F738 PolarHBondContact O-N 3.5Å; A735-F738 PolarHBondContact O-N 2.69Å; F738-L740 PolarHBondContact O-N 3.27Å; F738-I741 HydrophobicContact CD2-CG2 4.37Å; F738-I741 PolarHBondContact O-N 3.49Å; F738-I741 VanDerWaalsContact O-N 3.1Å; F738-W742 HydrophobicContact CD1-CB 4.48Å; F738-W742 HydrophobicContact CD2-CB 4.23Å; F738-W742 HydrophobicContact CE1-CB 4.06Å; F738-W742 HydrophobicContact CE2-CB 3.78Å; F738-W742 HydrophobicContact CZ-CB 3.69Å; F738-W742 WeakPolarHBondContact O-CB 3.35Å; F738-W742 VanDerWaalsContact O-CD1 3.29Å; F738-W742 PolarHBondContact O-N 3.01Å; F738-C772 HydrophobicContact CZ-CB 4.48Å; F738-C772 WeakPolarHBondContact CZ-O 3.41Å; F738-I775 HydrophobicContact CB-CG2 4.11Å; F738-I775 HydrophobicContact CD1-CG2 3.7Å; F738-I775 HydrophobicContact CD2-CB 4.17Å; F738-I775 HydrophobicContact CD2-CD1 4.32Å; F738-I775 HydrophobicContact CD2-CG2 3.53Å; F738-I775 HydrophobicContact CE1-CB 4.35Å; F738-I775 HydrophobicContact CE1-CG2 3.94Å; F738-I775 HydrophobicContact CE2-CB 3.92Å; F738-I775 HydrophobicContact CE2-CD1 4.23Å; F738-I775 HydrophobicContact CE2-CG2 3.78Å; F738-I775 HydrophobicContact CG-CB 4.5Å; F738-I775 HydrophobicContact CG-CG2 3.49Å; F738-I775 VanDerWaalsContact CG-CG2 3.49Å; F738-I775 HydrophobicContact CZ-CB 4.02Å; F738-I775 HydrophobicContact CZ-CG2 3.98Å; F738-A776 HydrophobicContact CE1-CB 4Å; F738-A776 HydrophobicContact CZ-CB 4.28Å; F738-M781 HydrophobicContact CD1-SD 3.66Å; F738-M781 HydrophobicContact CE1-SD 4.02Å; F738-V784 HydrophobicContact CE1-CG1 3.97Å; F738-V784 HydrophobicContact CZ-CG1 3.99Å
739E91.5Very high88Confident96 Ų9626.2 Ų26.245%0.44915%0.151SC..Hα-helixtrans-52.9-35.2176.3-166-175.3141.300112.9R501 A735 L737 W742 M781R501-E739 IonicContact NH2-OE2 3.23Å; A735-E739 WeakPolarHBondContact O-CB 3.42Å; A735-E739 PolarHBondContact O-N 3.12Å; L737-E739 PolarHBondContact O-N 2.84Å; E739-W742 VanDerWaalsContact O-CD1 3.23Å; E739-W742 PolarHBondContact O-NE1 3.4Å; E739-M781 HydrophobicContact CB-CE 4.47Å; E739-M781 HydrophobicContact CG-CE 4.36Å
740L90.1Very high88.5Confident35 Ų3521.5 Ų21.518%0.18313%0.131CC..Hα-helixtrans-82.8-32.2178-67.1174.1000114.1Y396 F409 E410 L737 F738Y396-L740 HydrophobicContact CD2-CD1 3.84Å; Y396-L740 HydrophobicContact CE2-CD1 3.67Å; F409-L740 HydrophobicContact CD1-CD1 3.98Å; F409-L740 HydrophobicContact CE1-CB 4.16Å; F409-L740 HydrophobicContact CE1-CD1 4.21Å; E410-L740 HydrophobicContact CG-CD2 4.39Å; L737-L740 PolarHBondContact O-N 3.25Å; F738-L740 PolarHBondContact O-N 3.27Å
741I93Very high88.9Confident0 Ų023.2 Ų23.20%014%0.136CC..Hα-helixtrans-99.5-22.8-169.4-164.2160.7000114.3F409 T413 L437 V440 L441 L737 F738 G743 T745F409-I741 HydrophobicContact CZ-CD1 4.25Å; T413-I741 HydrophobicContact CG2-CB 4.14Å; T413-I741 HydrophobicContact CG2-CD1 4.32Å; T413-I741 HydrophobicContact CG2-CG1 3.78Å; L437-I741 HydrophobicContact CD2-CD1 3.86Å; L437-I741 HydrophobicContact CD2-CG1 3.9Å; V440-I741 HydrophobicContact CB-CD1 3.78Å; V440-I741 HydrophobicContact CG1-CD1 3.86Å; V440-I741 HydrophobicContact CG2-CD1 4.11Å; L441-I741 HydrophobicContact CD2-CG2 4Å; L737-I741 VanDerWaalsContact O-CG2 3.29Å; L737-I741 WeakPolarHBondContact O-CG2 3.4Å; L737-I741 PolarHBondContact O-N 3.27Å; F738-I741 HydrophobicContact CD2-CG2 4.37Å; F738-I741 PolarHBondContact O-N 3.49Å; F738-I741 VanDerWaalsContact O-N 3.1Å; I741-G743 PolarHBondContact O-N 2.92Å; I741-T745 WeakPolarHBondContact CG1-OG1 3.37Å; I741-T745 VanDerWaalsContact O-CB 3.24Å; I741-T745 WeakPolarHBondContact O-CB 3.38Å; I741-T745 PolarHBondContact O-N 2.96Å; I741-T745 PolarHBondContact O-OG1 2.78Å
742W92.8Very high89.5Confident48 Ų4822.2 Ų22.218%0.18213%0.126CC..Hα-helixtrans-61.2-50.4-173.977.3-92.4000112.4F738 E739 T745 V746 V784 N787F738-W742 HydrophobicContact CD1-CB 4.48Å; F738-W742 HydrophobicContact CD2-CB 4.23Å; F738-W742 HydrophobicContact CE1-CB 4.06Å; F738-W742 HydrophobicContact CE2-CB 3.78Å; F738-W742 HydrophobicContact CZ-CB 3.69Å; F738-W742 WeakPolarHBondContact O-CB 3.35Å; F738-W742 VanDerWaalsContact O-CD1 3.29Å; F738-W742 PolarHBondContact O-N 3.01Å; E739-W742 VanDerWaalsContact O-CD1 3.23Å; E739-W742 PolarHBondContact O-NE1 3.4Å; W742-T745 PolarHBondContact O-N 3.09Å; W742-V746 HydrophobicContact CE3-CG2 4.39Å; W742-V746 WeakPolarHBondContact O-CB 3.48Å; W742-V746 WeakPolarHBondContact O-CG2 3.19Å; W742-V746 PolarHBondContact O-N 2.74Å; W742-V784 HydrophobicContact CB-CG1 4.16Å; W742-V784 HydrophobicContact CD2-CB 4.23Å; W742-V784 HydrophobicContact CD2-CG1 3.78Å; W742-V784 HydrophobicContact CD2-CG2 3.62Å; W742-V784 HydrophobicContact CE3-CB 4.28Å; W742-V784 HydrophobicContact CE3-CG1 3.67Å; W742-V784 HydrophobicContact CE3-CG2 4.11Å; W742-V784 HydrophobicContact CG-CG1 3.99Å; W742-V784 HydrophobicContact CG-CG2 3.93Å; W742-V784 HydrophobicContact CH2-CG2 4.44Å; W742-V784 HydrophobicContact CZ2-CG2 4.01Å; W742-V784 HydrophobicContact CZ3-CG1 4.35Å; W742-V784 HydrophobicContact CZ3-CG2 4.49Å; W742-N787 HydrophobicContact CH2-CB 4.36Å; W742-N787 HydrophobicContact CZ3-CB 4.09Å
743G90.4Very high90Very high18 Ų1820.9 Ų20.919%0.18612%0.115CC..Hα-helixtrans-62.5-51.2-174.700000112.9I741 T745 S747I741-G743 PolarHBondContact O-N 2.92Å; G743-T745 VanDerWaalsContact C-N 3.3Å; G743-T745 PolarHBondContact O-N 2.78Å; G743-S747 WeakPolarHBondContact O-CB 3.46Å; G743-S747 PolarHBondContact O-N 3.2Å; G743-S747 VanDerWaalsContact O-N 3.09Å; G743-S747 PolarHBondContact O-OG 3.03Å
744P87.2Confident90.1Very high37 Ų3722.4 Ų22.424%0.2413%0.125CC..Hα-helixtrans-58.5-39.2172.9-24.233.7000112.9T413 A417 A748T413-P744 HydrophobicContact CG2-CB 4.38Å; T413-P744 HydrophobicContact CG2-CG 4.34Å; A417-P744 HydrophobicContact CB-CB 3.59Å; P744-A748 WeakPolarHBondContact O-CB 3.26Å; P744-A748 PolarHBondContact O-N 2.88Å
745T91.3Very high89.8Confident0 Ų027.4 Ų27.40%015%0.146CC..Hα-helixtrans-75.3-43-177.6-51.90000113L437 L441 I741 W742 G743 S747 A748 L749L437-T745 HydrophobicContact CB-CG2 3.9Å; L437-T745 HydrophobicContact CD1-CG2 4.34Å; L441-T745 HydrophobicContact CD1-CG2 3.72Å; I741-T745 WeakPolarHBondContact CG1-OG1 3.37Å; I741-T745 VanDerWaalsContact O-CB 3.24Å; I741-T745 WeakPolarHBondContact O-CB 3.38Å; I741-T745 PolarHBondContact O-N 2.96Å; I741-T745 PolarHBondContact O-OG1 2.78Å; W742-T745 PolarHBondContact O-N 3.09Å; G743-T745 VanDerWaalsContact C-N 3.3Å; G743-T745 PolarHBondContact O-N 2.78Å; T745-S747 PolarHBondContact O-N 3.39Å; T745-A748 PolarHBondContact O-N 3.4Å; T745-L749 HydrophobicContact CG2-CD1 3.96Å; T745-L749 HydrophobicContact CG2-CG 4.24Å; T745-L749 WeakPolarHBondContact O-CB 3.35Å; T745-L749 VanDerWaalsContact O-CG 3.23Å; T745-L749 WeakPolarHBondContact O-CG 3.35Å; T745-L749 PolarHBondContact O-N 3.22Å
746V91.4Very high89.7Confident7 Ų727 Ų274%0.04214%0.142CC..Hα-helixtrans-61.5-36.1173.9170.30000110.6W742 S750 F769 C772 L788W742-V746 HydrophobicContact CE3-CG2 4.39Å; W742-V746 WeakPolarHBondContact O-CB 3.48Å; W742-V746 WeakPolarHBondContact O-CG2 3.19Å; W742-V746 PolarHBondContact O-N 2.74Å; V746-S750 VanDerWaalsContact O-CB 3.23Å; V746-S750 WeakPolarHBondContact O-CB 3.44Å; V746-S750 PolarHBondContact O-N 3.45Å; V746-S750 PolarHBondContact O-OG 2.98Å; V746-F769 HydrophobicContact CG1-CE1 4.36Å; V746-C772 HydrophobicContact CG2-CB 4.08Å; V746-L788 HydrophobicContact CG2-CD1 4.25Å
747S88.6Confident89.4Confident59 Ų5933.3 Ų33.341%0.41318%0.176SC..Hα-helixtrans-65.5-45.9174.2-56.50000112G743 T745 S750 F751G743-S747 WeakPolarHBondContact O-CB 3.46Å; G743-S747 PolarHBondContact O-N 3.2Å; G743-S747 VanDerWaalsContact O-N 3.09Å; G743-S747 PolarHBondContact O-OG 3.03Å; T745-S747 PolarHBondContact O-N 3.39Å; S747-S750 PolarHBondContact O-N 3.16Å; S747-F751 PolarHBondContact O-N 2.72Å; S747-F751 VanDerWaalsContact O-N 3.08Å
748A88.7Confident89Confident0 Ų036.7 Ų36.70%019%0.194CC..Hα-helixtrans-63.6-46.717600000112.7A420 L437 P744 T745 S750 F751 I752A420-A748 HydrophobicContact CB-CB 3.6Å; L437-A748 HydrophobicContact CD1-CB 4.41Å; P744-A748 WeakPolarHBondContact O-CB 3.26Å; P744-A748 PolarHBondContact O-N 2.88Å; T745-A748 PolarHBondContact O-N 3.4Å; A748-S750 VanDerWaalsContact C-N 3.34Å; A748-S750 PolarHBondContact O-N 2.9Å; A748-F751 PolarHBondContact O-N 3.22Å; A748-I752 WeakPolarHBondContact O-CB 2.94Å; A748-I752 WeakPolarHBondContact O-CG1 3.29Å; A748-I752 PolarHBondContact O-N 3Å
749L91.1Very high88.5Confident0 Ų038.8 Ų38.80%021%0.208CC..Hα-helixtrans-56.9-46.9175.3-75167.6000111.4L434 L438 T745 F751 I752 F753 A765 F769L434-L749 HydrophobicContact CD1-CD2 3.78Å; L434-L749 HydrophobicContact CD1-CG 4.14Å; L434-L749 HydrophobicContact CD2-CD2 4.42Å; L438-L749 HydrophobicContact CD2-CD2 4.44Å; T745-L749 HydrophobicContact CG2-CD1 3.96Å; T745-L749 HydrophobicContact CG2-CG 4.24Å; T745-L749 WeakPolarHBondContact O-CB 3.35Å; T745-L749 VanDerWaalsContact O-CG 3.23Å; T745-L749 WeakPolarHBondContact O-CG 3.35Å; T745-L749 PolarHBondContact O-N 3.22Å; L749-F751 PolarHBondContact O-N 3.32Å; L749-I752 PolarHBondContact O-N 3.5Å; L749-F753 VanDerWaalsContact O-CB 3.23Å; L749-F753 WeakPolarHBondContact O-CB 3.34Å; L749-F753 PolarHBondContact O-N 2.94Å; L749-A765 HydrophobicContact CD2-CB 4.23Å; L749-F769 HydrophobicContact CB-CD1 4.37Å; L749-F769 HydrophobicContact CB-CE1 3.91Å; L749-F769 HydrophobicContact CB-CE2 4.07Å; L749-F769 HydrophobicContact CB-CZ 3.76Å; L749-F769 HydrophobicContact CD1-CD1 4.32Å
750S90.5Very high88.3Confident15 Ų1541.8 Ų41.811%0.10522%0.222CC..Hα-helixtrans-58.9-46.4177.4-630000111.9V746 S747 A748 D754 F795V746-S750 VanDerWaalsContact O-CB 3.23Å; V746-S750 WeakPolarHBondContact O-CB 3.44Å; V746-S750 PolarHBondContact O-N 3.45Å; V746-S750 PolarHBondContact O-OG 2.98Å; S747-S750 PolarHBondContact O-N 3.16Å; A748-S750 VanDerWaalsContact C-N 3.34Å; A748-S750 PolarHBondContact O-N 2.9Å; S750-D754 WeakPolarHBondContact O-CB 3.14Å; S750-D754 PolarHBondContact O-N 2.89Å; S750-F795 WeakPolarHBondContact O-CZ 3.45Å
751F87.3Confident88.2Confident58 Ų5840.7 Ų40.725%0.25422%0.216SC..Hα-helixtrans-68.3-43.1179.1-169.7-84.9000112.7F421 P422 S747 A748 L749 D754 K755F421-F751 HydrophobicContact CD1-CB 3.63Å; F421-F751 HydrophobicContact CD1-CD1 4.15Å; F421-F751 AromaticContact CD1-CD2 3.95Å; F421-F751 HydrophobicContact CD1-CD2 3.95Å; F421-F751 AromaticContact CD1-CG 3.64Å; F421-F751 HydrophobicContact CD1-CG 3.64Å; F421-F751 HydrophobicContact CE1-CB 3.8Å; F421-F751 HydrophobicContact CE1-CG 4.27Å; P422-F751 HydrophobicContact CB-CE1 4.36Å; P422-F751 HydrophobicContact CG-CD1 4.22Å; P422-F751 HydrophobicContact CG-CE1 3.83Å; P422-F751 WeakPolarHBondContact O-CE1 3.31Å; P422-F751 WeakPolarHBondContact O-CZ 3.34Å; S747-F751 PolarHBondContact O-N 2.72Å; S747-F751 VanDerWaalsContact O-N 3.08Å; A748-F751 PolarHBondContact O-N 3.22Å; L749-F751 PolarHBondContact O-N 3.32Å; F751-D754 PolarHBondContact O-N 3.17Å; F751-K755 HydrophobicContact CD1-CG 3.99Å; F751-K755 HydrophobicContact CE1-CG 3.57Å; F751-K755 HydrophobicContact CZ-CD 4.46Å; F751-K755 HydrophobicContact CZ-CG 3.86Å; F751-K755 WeakPolarHBondContact O-CG 3.44Å; F751-K755 PolarHBondContact O-N 3.42Å
752I88Confident88Confident0 Ų041 Ų410%022%0.218CC..Hα-helixtrans-64.9-42.2179.3-72.7171.3000110.5A420 L426 L434 A748 L749 K755 T756 V761A420-I752 HydrophobicContact CB-CD1 4.37Å; L426-I752 HydrophobicContact CD2-CG2 4.44Å; L434-I752 HydrophobicContact CB-CD1 3.92Å; L434-I752 HydrophobicContact CD1-CD1 4.45Å; L434-I752 HydrophobicContact CD2-CD1 3.79Å; L434-I752 HydrophobicContact CD2-CG2 4.44Å; L434-I752 HydrophobicContact CG-CD1 4.25Å; A748-I752 WeakPolarHBondContact O-CB 2.94Å; A748-I752 WeakPolarHBondContact O-CG1 3.29Å; A748-I752 PolarHBondContact O-N 3Å; L749-I752 PolarHBondContact O-N 3.5Å; I752-K755 PolarHBondContact O-N 2.7Å; I752-T756 HydrophobicContact CG2-CG2 4.37Å; I752-T756 VanDerWaalsContact O-CB 3.26Å; I752-T756 WeakPolarHBondContact O-CB 3.38Å; I752-T756 WeakPolarHBondContact O-CG2 3.25Å; I752-T756 PolarHBondContact O-N 2.73Å; I752-V761 HydrophobicContact CG2-CG1 3.6Å
753F89.8Confident87.8Confident1 Ų140.2 Ų40.20%0.00422%0.219CC..Hα-helixtrans-60.2-47.4174.5-171.9-97.9000111.8L749 K755 A765 I766 F769 F795 K817 L820 A821L749-F753 VanDerWaalsContact O-CB 3.23Å; L749-F753 WeakPolarHBondContact O-CB 3.34Å; L749-F753 PolarHBondContact O-N 2.94Å; F753-K755 PolarHBondContact O-N 3.17Å; F753-A765 HydrophobicContact CB-CB 4.3Å; F753-A765 HydrophobicContact CD2-CB 4.19Å; F753-I766 HydrophobicContact CE2-CD1 4.31Å; F753-I766 HydrophobicContact CE2-CG1 4.06Å; F753-F769 HydrophobicContact CB-CE2 4.3Å; F753-F769 HydrophobicContact CG-CE2 4.44Å; F753-F795 HydrophobicContact CD1-CB 4.33Å; F753-F795 HydrophobicContact CD1-CD1 4.28Å; F753-F795 HydrophobicContact CD1-CD2 4.18Å; F753-F795 AromaticContact CD1-CG 4Å; F753-F795 HydrophobicContact CD1-CG 4Å; F753-F795 HydrophobicContact CE1-CB 4.03Å; F753-F795 HydrophobicContact CE1-CG 4.21Å; F753-K817 HydrophobicContact CE1-CB 4.04Å; F753-K817 HydrophobicContact CZ-CB 4.22Å; F753-K817 WeakPolarHBondContact CZ-O 3.34Å; F753-K817 PolarHBondContact O-NZ 2.8Å; F753-L820 HydrophobicContact CZ-CB 4.19Å; F753-A821 HydrophobicContact CE1-CB 4.08Å; F753-A821 HydrophobicContact CZ-CB 4.24Å
754D87.1Confident87.8Confident68 Ų6842.5 Ų42.536%0.36422%0.224SC..Hα-helixtrans-57.2-44.4176.9-173.552.2000112.8S750 F751 F795 K817S750-D754 WeakPolarHBondContact O-CB 3.14Å; S750-D754 PolarHBondContact O-N 2.89Å; F751-D754 PolarHBondContact O-N 3.17Å; D754-F795 HydrophobicContact CB-CE1 3.71Å; D754-F795 HydrophobicContact CB-CZ 4.27Å; D754-K817 PolarHBondContact O-NZ 3.13Å
755K83.7Confident88Confident112 Ų11240.8 Ų40.849%0.48721%0.213SC..Hα-helixtrans-87.5-29.4-174.9-57.2-44.4179.7-158.80114.7L426 F751 I752 F753L426-K755 HydrophobicContact CD1-CB 4.41Å; F751-K755 HydrophobicContact CD1-CG 3.99Å; F751-K755 HydrophobicContact CE1-CG 3.57Å; F751-K755 HydrophobicContact CZ-CD 4.46Å; F751-K755 HydrophobicContact CZ-CG 3.86Å; F751-K755 WeakPolarHBondContact O-CG 3.44Å; F751-K755 PolarHBondContact O-N 3.42Å; I752-K755 PolarHBondContact O-N 2.7Å; F753-K755 PolarHBondContact O-N 3.17Å
756T84.8Confident88Confident9 Ų941.2 Ų41.26%0.05522%0.215CC..  trans-85.4133.6-172.4-163.50000114I752 D758 V761 Q762 K817I752-T756 HydrophobicContact CG2-CG2 4.37Å; I752-T756 VanDerWaalsContact O-CB 3.26Å; I752-T756 WeakPolarHBondContact O-CB 3.38Å; I752-T756 WeakPolarHBondContact O-CG2 3.25Å; I752-T756 PolarHBondContact O-N 2.73Å; T756-D758 PolarHBondContact OG1-N 2.92Å; T756-V761 HydrophobicContact CG2-CB 3.92Å; T756-V761 HydrophobicContact CG2-CG1 3.75Å; T756-Q762 HydrophobicContact CG2-CG 3.81Å; T756-Q762 PolarHBondContact O-NE2 3.47Å; T756-K817 WeakPolarHBondContact O-CE 3Å; T756-K817 PolarHBondContact O-NZ 2.95Å
757N82.8Confident88Confident134 Ų13443.1 Ų43.172%0.71723%0.225SC*.  trans-104.83171.5-66.2-7000112.1K817N757-K817 WeakPolarHBondContact OD1-CE 3.15Å; N757-K817 PolarHBondContact OD1-NZ 3.31Å
758D85Confident88.2Confident74 Ų7440.3 Ų40.340%0.39621%0.206SC..  trans-79.6123.6178.7-175.7-36000110.1T756 E760 V761 Q762T756-D758 PolarHBondContact OG1-N 2.92Å; D758-E760 VanDerWaalsContact C-N 3.32Å; D758-E760 PolarHBondContact O-N 3.19Å; D758-E760 PolarHBondContact OD1-N 3.08Å; D758-V761 HydrophobicContact CB-CB 4.12Å; D758-V761 HydrophobicContact CB-CG2 3.86Å; D758-V761 PolarHBondContact O-N 2.85Å; D758-V761 PolarHBondContact OD1-N 2.66Å; D758-Q762 WeakPolarHBondContact O-CG 3.43Å; D758-Q762 PolarHBondContact O-N 3.39Å
759P84.2Confident88.4Confident44 Ų4440.3 Ų40.329%0.28621%0.206SC..Hα-helixtrans-64.1-31-178.327.1-35000113.7S763 L996P759-S763 WeakPolarHBondContact O-CB 3.39Å; P759-S763 PolarHBondContact O-N 2.87Å; P759-L996 HydrophobicContact CB-CD2 3.92Å
760E86Confident88.5Confident159 Ų15941.8 Ų41.874%0.74321%0.214SC*.Hα-helixtrans-71.8-40.5178.4-63.2-168.418000110.8D758 S763 K764D758-E760 VanDerWaalsContact C-N 3.32Å; D758-E760 PolarHBondContact O-N 3.19Å; D758-E760 PolarHBondContact OD1-N 3.08Å; E760-S763 PolarHBondContact O-N 3.04Å; E760-K764 PolarHBondContact O-N 3.17Å
761V88.3Confident88.7Confident11 Ų1142.8 Ų42.87%0.06722%0.215CC..Hα-helixtrans-70.5-35.5175.6-171.10000111.2L426 L431 I752 T756 D758 K764 A765L426-V761 HydrophobicContact CD2-CG1 3.98Å; L431-V761 HydrophobicContact CD2-CG1 3.77Å; L431-V761 HydrophobicContact CD2-CG2 4.04Å; I752-V761 HydrophobicContact CG2-CG1 3.6Å; T756-V761 HydrophobicContact CG2-CB 3.92Å; T756-V761 HydrophobicContact CG2-CG1 3.75Å; D758-V761 HydrophobicContact CB-CB 4.12Å; D758-V761 HydrophobicContact CB-CG2 3.86Å; D758-V761 PolarHBondContact O-N 2.85Å; D758-V761 PolarHBondContact OD1-N 2.66Å; V761-K764 PolarHBondContact O-N 2.81Å; V761-A765 WeakPolarHBondContact O-CB 3.39Å; V761-A765 PolarHBondContact O-N 3.3Å
762Q89.1Confident89Confident8 Ų840 Ų404%0.03720%0.203CC..Hα-helixtrans-62.7-44.3171.6-73.4178.64.800111.5T756 D758 A765 I766T756-Q762 HydrophobicContact CG2-CG 3.81Å; T756-Q762 PolarHBondContact O-NE2 3.47Å; D758-Q762 WeakPolarHBondContact O-CG 3.43Å; D758-Q762 PolarHBondContact O-N 3.39Å; Q762-A765 PolarHBondContact O-N 3.13Å; Q762-I766 WeakPolarHBondContact O-CD1 3.28Å; Q762-I766 VanDerWaalsContact O-CG1 3.26Å; Q762-I766 WeakPolarHBondContact O-CG1 3.48Å; Q762-I766 PolarHBondContact O-N 2.6Å
763S89Confident89.3Confident30 Ų3040 Ų4021%0.2120%0.203CC..Hα-helixtrans-59.8-48.3175-161.60000111.5P759 E760 A765 I766 D767P759-S763 WeakPolarHBondContact O-CB 3.39Å; P759-S763 PolarHBondContact O-N 2.87Å; E760-S763 PolarHBondContact O-N 3.04Å; S763-A765 VanDerWaalsContact C-N 3.28Å; S763-A765 PolarHBondContact O-N 3.14Å; S763-I766 WeakPolarHBondContact O-CB 3.42Å; S763-I766 PolarHBondContact O-N 2.96Å; S763-I766 VanDerWaalsContact O-N 3.13Å; S763-D767 PolarHBondContact O-N 3.25Å
764K89.1Confident89.5Confident67 Ų6741.4 Ų41.429%0.29121%0.211SC..Hα-helixtrans-58.2-38.4176.7179.3178.4-72.9-1710112.6L434 D435 L438 E760 V761 G768L434-K764 HydrophobicContact CD2-CD 4.23Å; L434-K764 HydrophobicContact CD2-CG 4.38Å; D435-K764 WeakPolarHBondContact OD1-CD 3.46Å; D435-K764 WeakPolarHBondContact OD1-CE 3.33Å; D435-K764 IonicContact OD1-NZ 2.79Å; D435-K764 PolarHBondContact OD1-NZ 3.34Å; D435-K764 IonicContact OD2-NZ 3.59Å; D435-K764 PolarHBondContact OD2-NZ 3.42Å; L438-K764 HydrophobicContact CD1-CD 4Å; L438-K764 HydrophobicContact CD1-CG 3.56Å; E760-K764 PolarHBondContact O-N 3.17Å; V761-K764 PolarHBondContact O-N 2.81Å; K764-G768 PolarHBondContact O-N 3.07Å; K764-G768 VanDerWaalsContact O-N 3.09Å
765A91.9Very high89.8Confident0 Ų038.1 Ų38.10%019%0.194CC..Hα-helixtrans-69.5-40.8175.900000112.4L749 F753 V761 Q762 S763 G768 F769L749-A765 HydrophobicContact CD2-CB 4.23Å; F753-A765 HydrophobicContact CB-CB 4.3Å; F753-A765 HydrophobicContact CD2-CB 4.19Å; V761-A765 WeakPolarHBondContact O-CB 3.39Å; V761-A765 PolarHBondContact O-N 3.3Å; Q762-A765 PolarHBondContact O-N 3.13Å; S763-A765 VanDerWaalsContact C-N 3.28Å; S763-A765 PolarHBondContact O-N 3.14Å; A765-G768 PolarHBondContact O-N 3.35Å; A765-F769 WeakPolarHBondContact O-CD2 3.2Å; A765-F769 PolarHBondContact O-N 2.97Å
766I91.5Very high90.3Very high9 Ų932.8 Ų32.85%0.04617%0.171CC..Hα-helixtrans-61-45.4175.2-72163.8000111F753 Q762 S763 G768 F769 N770 L820 L824F753-I766 HydrophobicContact CE2-CD1 4.31Å; F753-I766 HydrophobicContact CE2-CG1 4.06Å; Q762-I766 WeakPolarHBondContact O-CD1 3.28Å; Q762-I766 VanDerWaalsContact O-CG1 3.26Å; Q762-I766 WeakPolarHBondContact O-CG1 3.48Å; Q762-I766 PolarHBondContact O-N 2.6Å; S763-I766 WeakPolarHBondContact O-CB 3.42Å; S763-I766 PolarHBondContact O-N 2.96Å; S763-I766 VanDerWaalsContact O-N 3.13Å; I766-G768 VanDerWaalsContact C-N 3.31Å; I766-G768 PolarHBondContact O-N 3.48Å; I766-F769 PolarHBondContact O-N 3.37Å; I766-N770 WeakPolarHBondContact O-CB 3.33Å; I766-N770 PolarHBondContact O-N 3.28Å; I766-L820 HydrophobicContact CD1-CB 4.11Å; I766-L820 HydrophobicContact CD1-CD1 4.16Å; I766-L820 HydrophobicContact CD1-CD2 4.01Å; I766-L820 HydrophobicContact CD1-CG 4.32Å; I766-L824 HydrophobicContact CB-CD2 4.43Å; I766-L824 HydrophobicContact CG1-CD2 4.23Å; I766-L824 HydrophobicContact CG2-CD1 4.07Å; I766-L824 HydrophobicContact CG2-CD2 4.21Å
767D90.6Very high90.6Very high48 Ų4833.1 Ų33.126%0.25717%0.174SC..Hα-helixtrans-60.6-40.8175-68.6-31.7000111.4S763 N770 R771S763-D767 PolarHBondContact O-N 3.25Å; D767-N770 PolarHBondContact O-N 2.99Å; D767-R771 WeakPolarHBondContact O-CB 3.34Å; D767-R771 WeakPolarHBondContact O-CD 3.34Å; D767-R771 VanDerWaalsContact O-CG 3.31Å; D767-R771 WeakPolarHBondContact O-CG 3.23Å; D767-R771 PolarHBondContact O-N 3.23Å
768G92.9Very high91Very high0 Ų030.6 Ų30.60%016%0.155CC..Hα-helixtrans-61.2-42.3174.700000114.1K764 A765 I766 R771 C772K764-G768 PolarHBondContact O-N 3.07Å; K764-G768 VanDerWaalsContact O-N 3.09Å; A765-G768 PolarHBondContact O-N 3.35Å; I766-G768 VanDerWaalsContact C-N 3.31Å; I766-G768 PolarHBondContact O-N 3.48Å; G768-R771 WeakPolarHBondContact O-CB 3.33Å; G768-R771 PolarHBondContact O-N 3.09Å; G768-C772 PolarHBondContact O-N 2.64Å; G768-C772 PolarHBondContact O-SG 2.93Å
769F94.6Very high91.2Very high0 Ų030.5 Ų30.50%015%0.15CC..Hα-helixtrans-66.5-43.9174.2-76.2-62.9000112.1V746 L749 F753 A765 I766 R771 C772 A773 L788 L792 L824V746-F769 HydrophobicContact CG1-CE1 4.36Å; L749-F769 HydrophobicContact CB-CD1 4.37Å; L749-F769 HydrophobicContact CB-CE1 3.91Å; L749-F769 HydrophobicContact CB-CE2 4.07Å; L749-F769 HydrophobicContact CB-CZ 3.76Å; L749-F769 HydrophobicContact CD1-CD1 4.32Å; F753-F769 HydrophobicContact CB-CE2 4.3Å; F753-F769 HydrophobicContact CG-CE2 4.44Å; A765-F769 WeakPolarHBondContact O-CD2 3.2Å; A765-F769 PolarHBondContact O-N 2.97Å; I766-F769 PolarHBondContact O-N 3.37Å; F769-R771 PolarHBondContact O-N 3.43Å; F769-C772 PolarHBondContact O-N 3.48Å; F769-A773 PolarHBondContact O-N 2.84Å; F769-L788 HydrophobicContact CD1-CD1 4.1Å; F769-L788 HydrophobicContact CD1-CG 4.08Å; F769-L788 WeakPolarHBondContact O-CD1 3.47Å; F769-L792 HydrophobicContact CD1-CD2 4.24Å; F769-L792 HydrophobicContact CD2-CD2 3.95Å; F769-L792 HydrophobicContact CE1-CD2 4.19Å; F769-L792 HydrophobicContact CE2-CD2 3.9Å; F769-L792 HydrophobicContact CG-CD2 4.12Å; F769-L792 HydrophobicContact CZ-CD2 4.01Å; F769-L824 HydrophobicContact CB-CD2 3.83Å; F769-L824 HydrophobicContact CD2-CD2 4.08Å; F769-L824 HydrophobicContact CG-CD2 4.28Å
770N93.1Very high91.5Very high31 Ų3130.7 Ų30.717%0.16616%0.159CC..Hα-helixtrans-62.3-34.3178.5-16633000111.7I766 D767 T774I766-N770 WeakPolarHBondContact O-CB 3.33Å; I766-N770 PolarHBondContact O-N 3.28Å; D767-N770 PolarHBondContact O-N 2.99Å; N770-T774 WeakPolarHBondContact O-CB 3.37Å; N770-T774 PolarHBondContact O-N 3.47Å; N770-T774 PolarHBondContact O-OG1 2.83Å
771R93.1Very high91.8Very high35 Ų3524.7 Ų24.713%0.13213%0.132CC..Hα-helixtrans-62.9-54.2170.4-82.9162.7172.8-160.7-17.2112.8N442 E445 D767 G768 F769 A773 T774 I775N442-R771 PolarHBondContact OD1-NH1 3.18Å; N442-R771 PolarHBondContact OD1-NH2 3.5Å; E445-R771 HydrophobicContact CB-CG 4.41Å; E445-R771 VanDerWaalsContact CD-CG 3.44Å; E445-R771 HydrophobicContact CG-CG 4.36Å; E445-R771 WeakPolarHBondContact OE1-CG 3.37Å; E445-R771 IonicContact OE1-NE 3.62Å; E445-R771 IonicContact OE2-CZ 2.74Å; E445-R771 IonicContact OE2-NE 2.69Å; E445-R771 PolarHBondContact OE2-NE 3.15Å; E445-R771 IonicContact OE2-NH2 3.18Å; E445-R771 PolarHBondContact OE2-NH2 3.13Å; D767-R771 WeakPolarHBondContact O-CB 3.34Å; D767-R771 WeakPolarHBondContact O-CD 3.34Å; D767-R771 VanDerWaalsContact O-CG 3.31Å; D767-R771 WeakPolarHBondContact O-CG 3.23Å; D767-R771 PolarHBondContact O-N 3.23Å; G768-R771 WeakPolarHBondContact O-CB 3.33Å; G768-R771 PolarHBondContact O-N 3.09Å; F769-R771 PolarHBondContact O-N 3.43Å; R771-A773 VanDerWaalsContact C-N 3.25Å; R771-A773 PolarHBondContact O-N 2.74Å; R771-T774 PolarHBondContact O-N 2.71Å; R771-I775 WeakPolarHBondContact O-CB 3.43Å; R771-I775 WeakPolarHBondContact O-CD1 3.34Å; R771-I775 VanDerWaalsContact O-CG1 3.25Å; R771-I775 WeakPolarHBondContact O-CG1 3.45Å; R771-I775 PolarHBondContact O-N 2.83Å
772C95Very high92Very high0 Ų026 Ų260%014%0.142CC..Hα-helixtrans-55.2-42.4176.5-72.60000111.7L441 F738 V746 G768 F769 A776 L788L441-C772 VanDerWaalsContact CD1-SG 3.53Å; F738-C772 HydrophobicContact CZ-CB 4.48Å; F738-C772 WeakPolarHBondContact CZ-O 3.41Å; V746-C772 HydrophobicContact CG2-CB 4.08Å; G768-C772 PolarHBondContact O-N 2.64Å; G768-C772 PolarHBondContact O-SG 2.93Å; F769-C772 PolarHBondContact O-N 3.48Å; C772-A776 WeakPolarHBondContact O-CB 3.09Å; C772-A776 PolarHBondContact O-N 2.84Å; C772-L788 HydrophobicContact CB-CD1 3.45Å; C772-L788 VanDerWaalsContact CB-CD1 3.45Å
773A93.9Very high92.1Very high0 Ų029.4 Ų29.40%016%0.16CC..Hα-helixtrans-65.8-45176.500000113F769 R771 I775 A776 A777 L785 L788 I828F769-A773 PolarHBondContact O-N 2.84Å; R771-A773 VanDerWaalsContact C-N 3.25Å; R771-A773 PolarHBondContact O-N 2.74Å; A773-I775 PolarHBondContact O-N 3.08Å; A773-A776 PolarHBondContact O-N 2.9Å; A773-A777 VanDerWaalsContact O-CB 3.28Å; A773-A777 WeakPolarHBondContact O-CB 3.41Å; A773-A777 PolarHBondContact O-N 3.3Å; A773-L785 HydrophobicContact CB-CD1 3.88Å; A773-L788 HydrophobicContact CB-CD1 4.44Å; A773-L788 HydrophobicContact CB-CD2 4.44Å; A773-I828 HydrophobicContact CB-CB 4.49Å; A773-I828 HydrophobicContact CB-CD1 3.91Å; A773-I828 HydrophobicContact CB-CG1 4.04Å; A773-I828 HydrophobicContact CB-CG2 3.68Å
774T93.6Very high92.3Very high30 Ų3028 Ų2818%0.18415%0.15CC..Hα-helixtrans-64.3-40.5179.8-60.10000111.8N770 R771 Y778N770-T774 WeakPolarHBondContact O-CB 3.37Å; N770-T774 PolarHBondContact O-N 3.47Å; N770-T774 PolarHBondContact O-OG1 2.83Å; R771-T774 PolarHBondContact O-N 2.71Å; T774-Y778 WeakPolarHBondContact O-CB 3.34Å; T774-Y778 PolarHBondContact O-N 3.31Å
775I93.6Very high92.5Very high0 Ų024.8 Ų24.80%014%0.136CC..Hα-helixtrans-72.5-43.8178.6-60.9163.4000110.9L441 I444 E445 F738 R771 A773 A777 Y778 Y779L441-I775 HydrophobicContact CB-CD1 4.24Å; L441-I775 HydrophobicContact CD2-CD1 3.95Å; I444-I775 HydrophobicContact CB-CD1 4.06Å; I444-I775 HydrophobicContact CG2-CB 4.48Å; I444-I775 HydrophobicContact CG2-CD1 3.96Å; I444-I775 HydrophobicContact CG2-CG1 4.01Å; I444-I775 HydrophobicContact CG2-CG2 3.61Å; E445-I775 HydrophobicContact CB-CD1 4.25Å; E445-I775 HydrophobicContact CB-CG1 4.29Å; F738-I775 HydrophobicContact CB-CG2 4.11Å; F738-I775 HydrophobicContact CD1-CG2 3.7Å; F738-I775 HydrophobicContact CD2-CB 4.17Å; F738-I775 HydrophobicContact CD2-CD1 4.32Å; F738-I775 HydrophobicContact CD2-CG2 3.53Å; F738-I775 HydrophobicContact CE1-CB 4.35Å; F738-I775 HydrophobicContact CE1-CG2 3.94Å; F738-I775 HydrophobicContact CE2-CB 3.92Å; F738-I775 HydrophobicContact CE2-CD1 4.23Å; F738-I775 HydrophobicContact CE2-CG2 3.78Å; F738-I775 HydrophobicContact CG-CB 4.5Å; F738-I775 HydrophobicContact CG-CG2 3.49Å; F738-I775 VanDerWaalsContact CG-CG2 3.49Å; F738-I775 HydrophobicContact CZ-CB 4.02Å; F738-I775 HydrophobicContact CZ-CG2 3.98Å; R771-I775 WeakPolarHBondContact O-CB 3.43Å; R771-I775 WeakPolarHBondContact O-CD1 3.34Å; R771-I775 VanDerWaalsContact O-CG1 3.25Å; R771-I775 WeakPolarHBondContact O-CG1 3.45Å; R771-I775 PolarHBondContact O-N 2.83Å; A773-I775 PolarHBondContact O-N 3.08Å; I775-A777 VanDerWaalsContact C-N 3.29Å; I775-A777 PolarHBondContact O-N 3.37Å; I775-Y778 PolarHBondContact O-N 3.47Å; I775-Y779 HydrophobicContact CG2-CD2 3.77Å; I775-Y779 HydrophobicContact CG2-CE2 3.84Å; I775-Y779 WeakPolarHBondContact O-CD2 3.41Å; I775-Y779 PolarHBondContact O-N 2.85Å; I775-Y779 VanDerWaalsContact O-N 3.08Å
776A94Very high92.5Very high0 Ų025 Ų250%014%0.137CC..Hα-helixtrans-59-41.6174.500000111.6F738 C772 A773 Y779 G780 M781 V784F738-A776 HydrophobicContact CE1-CB 4Å; F738-A776 HydrophobicContact CZ-CB 4.28Å; C772-A776 WeakPolarHBondContact O-CB 3.09Å; C772-A776 PolarHBondContact O-N 2.84Å; A773-A776 PolarHBondContact O-N 2.9Å; A776-Y779 CarbonylContact O-C 3.56Å; A776-Y779 PolarHBondContact O-N 3.45Å; A776-G780 PolarHBondContact O-N 3.34Å; A776-M781 HydrophobicContact CB-CB 4.29Å; A776-M781 PolarHBondContact O-N 3Å; A776-V784 HydrophobicContact CB-CB 3.89Å; A776-V784 HydrophobicContact CB-CG1 3.77Å
777A91Very high92.5Very high15 Ų1528.2 Ų28.212%0.12416%0.155CC..Hα-helixtrans-64.7-44.9174.900000112.2A773 I775 Y779 G780 H832 I835A773-A777 VanDerWaalsContact O-CB 3.28Å; A773-A777 WeakPolarHBondContact O-CB 3.41Å; A773-A777 PolarHBondContact O-N 3.3Å; I775-A777 VanDerWaalsContact C-N 3.29Å; I775-A777 PolarHBondContact O-N 3.37Å; A777-Y779 PolarHBondContact O-N 3.31Å; A777-G780 PolarHBondContact O-N 3.03Å; A777-H832 HydrophobicContact CB-CB 4.15Å; A777-H832 VanDerWaalsContact CB-ND1 3.27Å; A777-H832 WeakPolarHBondContact CB-ND1 3.18Å; A777-I835 HydrophobicContact CB-CD1 4.05Å; A777-I835 WeakPolarHBondContact O-CD1 3.45Å
778Y91.4Very high92.7Very high82 Ų8226 Ų2632%0.32214%0.142SC..Hα-helixtrans-60.3-33.2178.3-176.5-93.5000113.2C448 S451 Q452 T774 I775C448-Y778 HydrophobicContact CB-CD1 3.97Å; C448-Y778 HydrophobicContact CB-CD2 3.69Å; C448-Y778 HydrophobicContact CB-CE1 4.34Å; C448-Y778 HydrophobicContact CB-CE2 4.09Å; C448-Y778 HydrophobicContact CB-CG 3.63Å; C448-Y778 WeakPolarHBondContact SG-CD1 3.29Å; C448-Y778 VanDerWaalsContact SG-CG 3.58Å; S451-Y778 WeakPolarHBondContact CB-OH 3.23Å; Q452-Y778 HydrophobicContact CG-CE2 4.31Å; T774-Y778 WeakPolarHBondContact O-CB 3.34Å; T774-Y778 PolarHBondContact O-N 3.31Å; I775-Y778 PolarHBondContact O-N 3.47Å
779Y90.4Very high92.6Very high72 Ų7226 Ų2628%0.28214%0.142SC..THydrogen-bonded Turntrans-99.26.5177.6-64.9-58.2000115I444 D734 A735 I775 A776 A777 M781I444-Y779 HydrophobicContact CG2-CE2 4.12Å; D734-Y779 VanDerWaalsContact CB-OH 3.26Å; D734-Y779 WeakPolarHBondContact CB-OH 3.48Å; A735-Y779 HydrophobicContact CB-CD1 3.73Å; A735-Y779 HydrophobicContact CB-CD2 4.02Å; A735-Y779 HydrophobicContact CB-CE1 3.75Å; A735-Y779 HydrophobicContact CB-CE2 4.03Å; A735-Y779 HydrophobicContact CB-CG 3.88Å; I775-Y779 HydrophobicContact CG2-CD2 3.77Å; I775-Y779 HydrophobicContact CG2-CE2 3.84Å; I775-Y779 WeakPolarHBondContact O-CD2 3.41Å; I775-Y779 PolarHBondContact O-N 2.85Å; I775-Y779 VanDerWaalsContact O-N 3.08Å; A776-Y779 CarbonylContact O-C 3.56Å; A776-Y779 PolarHBondContact O-N 3.45Å; A777-Y779 PolarHBondContact O-N 3.31Å; Y779-M781 VanDerWaalsContact C-N 3.31Å; Y779-M781 PolarHBondContact O-N 3.13Å
780G89.5Confident92.4Very high47 Ų4727.7 Ų27.749%0.48515%0.151SC..THydrogen-bonded Turntrans70.518.4177.100000115.7A776 A777 S782A776-G780 PolarHBondContact O-N 3.34Å; A777-G780 PolarHBondContact O-N 3.03Å; G780-S782 PolarHBondContact O-N 2.69Å
781M92.7Very high92.3Very high34 Ų3427.5 Ų27.517%0.16715%0.153CC..  trans-81.780.3-174.6-59.3-175.977.500111.5F738 E739 A776 Y779 D783 V784 L785F738-M781 HydrophobicContact CD1-SD 3.66Å; F738-M781 HydrophobicContact CE1-SD 4.02Å; E739-M781 HydrophobicContact CB-CE 4.47Å; E739-M781 HydrophobicContact CG-CE 4.36Å; A776-M781 HydrophobicContact CB-CB 4.29Å; A776-M781 PolarHBondContact O-N 3Å; Y779-M781 VanDerWaalsContact C-N 3.31Å; Y779-M781 PolarHBondContact O-N 3.13Å; M781-D783 VanDerWaalsContact C-N 3.3Å; M781-D783 PolarHBondContact O-N 2.85Å; M781-V784 HydrophobicContact CB-CB 4.09Å; M781-V784 HydrophobicContact CB-CG2 3.83Å; M781-V784 HydrophobicContact CE-CG2 3.77Å; M781-V784 PolarHBondContact O-N 3.04Å; M781-V784 HydrophobicContact SD-CG2 4.31Å; M781-L785 PolarHBondContact O-N 2.89Å
782S92.1Very high92.3Very high39 Ų3925.9 Ų25.927%0.27315%0.146SC..Hα-helixtrans-61.6-34.9-177.858.10000113.7G780 L785 D786 I835G780-S782 PolarHBondContact O-N 2.69Å; S782-L785 PolarHBondContact O-N 3.37Å; S782-D786 WeakPolarHBondContact O-CB 3.45Å; S782-D786 VanDerWaalsContact O-CG 3.24Å; S782-D786 PolarHBondContact O-N 2.82Å; S782-I835 WeakPolarHBondContact CB-O 3.45Å
783D90.7Very high92.1Very high78 Ų7825.9 Ų25.942%0.41715%0.146SC..Hα-helixtrans-63.7-40.2177.365.9-46.4000112.3M781 N787M781-D783 VanDerWaalsContact C-N 3.3Å; M781-D783 PolarHBondContact O-N 2.85Å; D783-N787 WeakPolarHBondContact O-CB 3Å; D783-N787 PolarHBondContact O-N 2.7Å; D783-N787 PolarHBondContact O-ND2 3.07Å
784V92.8Very high91.9Very high0 Ų031.3 Ų31.30%017%0.17CC..Hα-helixtrans-66.4-44.7175.8179.60000110.5F738 W742 A776 M781 L788F738-V784 HydrophobicContact CE1-CG1 3.97Å; F738-V784 HydrophobicContact CZ-CG1 3.99Å; W742-V784 HydrophobicContact CB-CG1 4.16Å; W742-V784 HydrophobicContact CD2-CB 4.23Å; W742-V784 HydrophobicContact CD2-CG1 3.78Å; W742-V784 HydrophobicContact CD2-CG2 3.62Å; W742-V784 HydrophobicContact CE3-CB 4.28Å; W742-V784 HydrophobicContact CE3-CG1 3.67Å; W742-V784 HydrophobicContact CE3-CG2 4.11Å; W742-V784 HydrophobicContact CG-CG1 3.99Å; W742-V784 HydrophobicContact CG-CG2 3.93Å; W742-V784 HydrophobicContact CH2-CG2 4.44Å; W742-V784 HydrophobicContact CZ2-CG2 4.01Å; W742-V784 HydrophobicContact CZ3-CG1 4.35Å; W742-V784 HydrophobicContact CZ3-CG2 4.49Å; A776-V784 HydrophobicContact CB-CB 3.89Å; A776-V784 HydrophobicContact CB-CG1 3.77Å; M781-V784 HydrophobicContact CB-CB 4.09Å; M781-V784 HydrophobicContact CB-CG2 3.83Å; M781-V784 HydrophobicContact CE-CG2 3.77Å; M781-V784 PolarHBondContact O-N 3.04Å; M781-V784 HydrophobicContact SD-CG2 4.31Å; V784-L788 WeakPolarHBondContact O-CB 3.42Å; V784-L788 PolarHBondContact O-N 3.31Å
785L93.5Very high91.7Very high1 Ų131.8 Ų31.81%0.00517%0.169CC..Hα-helixtrans-66.3-43.2179.3-173.166.4000111.9A773 M781 S782 L788 V789 I828 H832 I835 L836A773-L785 HydrophobicContact CB-CD1 3.88Å; M781-L785 PolarHBondContact O-N 2.89Å; S782-L785 PolarHBondContact O-N 3.37Å; L785-L788 PolarHBondContact O-N 2.69Å; L785-V789 WeakPolarHBondContact O-CG2 3.25Å; L785-V789 PolarHBondContact O-N 2.96Å; L785-I828 HydrophobicContact CD1-CG2 3.77Å; L785-H832 HydrophobicContact CD1-CB 4.34Å; L785-H832 HydrophobicContact CD2-CB 3.83Å; L785-H832 VanDerWaalsContact CD2-O 3.25Å; L785-H832 WeakPolarHBondContact CD2-O 3.24Å; L785-I835 HydrophobicContact CD2-CB 4.1Å; L785-I835 HydrophobicContact CD2-CG2 3.98Å; L785-L836 HydrophobicContact CD2-CB 4.31Å; L785-L836 HydrophobicContact CD2-CD1 4.18Å; L785-L836 HydrophobicContact CG-CD1 3.99Å
786D92.7Very high91.5Very high5 Ų531.8 Ų31.83%0.02717%0.169CC..Hα-helixtrans-59.7-50.2174.7-78.3-26.3000111.3S782 L788 V789 I790 L836 R837 Y838 G839S782-D786 WeakPolarHBondContact O-CB 3.45Å; S782-D786 VanDerWaalsContact O-CG 3.24Å; S782-D786 PolarHBondContact O-N 2.82Å; D786-L788 VanDerWaalsContact C-N 3.25Å; D786-L788 PolarHBondContact O-N 3.18Å; D786-V789 PolarHBondContact O-N 2.64Å; D786-I790 HydrophobicContact CB-CD1 4.47Å; D786-I790 WeakPolarHBondContact O-CB 3.47Å; D786-I790 WeakPolarHBondContact O-CD1 3.47Å; D786-I790 WeakPolarHBondContact O-CG1 3.49Å; D786-I790 PolarHBondContact O-N 3.28Å; D786-L836 VanDerWaalsContact OD1-CD1 3.28Å; D786-L836 WeakPolarHBondContact OD1-CD1 3.5Å; D786-R837 PolarHBondContact OD1-N 3.36Å; D786-R837 WeakPolarHBondContact OD2-CB 3.1Å; D786-Y838 PolarHBondContact OD1-N 3.45Å; D786-Y838 VanDerWaalsContact OD1-N 3.08Å; D786-Y838 WeakPolarHBondContact OD2-CD2 3.37Å; D786-Y838 PolarHBondContact OD2-N 3.22Å; D786-G839 PolarHBondContact OD1-N 2.9Å
787N92.4Very high91.1Very high76 Ų7634.2 Ų34.241%0.40618%0.184SC..Hα-helixtrans-59.7-37.1178.1-84.2-70.5000112.2W742 D783 S791W742-N787 HydrophobicContact CH2-CB 4.36Å; W742-N787 HydrophobicContact CZ3-CB 4.09Å; D783-N787 WeakPolarHBondContact O-CB 3Å; D783-N787 PolarHBondContact O-N 2.7Å; D783-N787 PolarHBondContact O-ND2 3.07Å; N787-S791 VanDerWaalsContact O-CB 3.29Å; N787-S791 WeakPolarHBondContact O-CB 3.48Å; N787-S791 PolarHBondContact O-N 3.08Å; N787-S791 PolarHBondContact O-OG 3.47Å
788L92.9Very high90.7Very high0 Ų033.5 Ų33.50%018%0.179CC..Hα-helixtrans-68.6-46.7176.8-171.7150.4000111.6V746 F769 C772 A773 V784 L785 D786 S791 L792 I828V746-L788 HydrophobicContact CG2-CD1 4.25Å; F769-L788 HydrophobicContact CD1-CD1 4.1Å; F769-L788 HydrophobicContact CD1-CG 4.08Å; F769-L788 WeakPolarHBondContact O-CD1 3.47Å; C772-L788 HydrophobicContact CB-CD1 3.45Å; C772-L788 VanDerWaalsContact CB-CD1 3.45Å; A773-L788 HydrophobicContact CB-CD1 4.44Å; A773-L788 HydrophobicContact CB-CD2 4.44Å; V784-L788 WeakPolarHBondContact O-CB 3.42Å; V784-L788 PolarHBondContact O-N 3.31Å; L785-L788 PolarHBondContact O-N 2.69Å; D786-L788 VanDerWaalsContact C-N 3.25Å; D786-L788 PolarHBondContact O-N 3.18Å; L788-S791 PolarHBondContact O-N 2.95Å; L788-L792 HydrophobicContact CD2-CD1 3.64Å; L788-L792 HydrophobicContact CD2-CG 4.27Å; L788-L792 WeakPolarHBondContact O-CG 3.36Å; L788-L792 PolarHBondContact O-N 2.56Å; L788-I828 HydrophobicContact CD2-CD1 3.68Å; L788-I828 HydrophobicContact CD2-CG2 4.45Å
789V92.7Very high90.3Very high0 Ų031.6 Ų31.60%017%0.174CC..Hα-helixtrans-61.9-47.7176.31640000111.3L785 D786 S791 L792 C793 V825 I828 L836 L843L785-V789 WeakPolarHBondContact O-CG2 3.25Å; L785-V789 PolarHBondContact O-N 2.96Å; D786-V789 PolarHBondContact O-N 2.64Å; V789-S791 PolarHBondContact O-N 3.05Å; V789-L792 PolarHBondContact O-N 3.07Å; V789-C793 WeakPolarHBondContact O-CB 3.44Å; V789-C793 PolarHBondContact O-N 3.36Å; V789-C793 PolarHBondContact O-SG 3.44Å; V789-C793 VanDerWaalsContact O-SG 3.36Å; V789-V825 HydrophobicContact CB-CG2 4.2Å; V789-V825 HydrophobicContact CG1-CG2 3.84Å; V789-V825 HydrophobicContact CG2-CG2 4.16Å; V789-I828 HydrophobicContact CG2-CG2 4.31Å; V789-L836 HydrophobicContact CB-CD1 4.03Å; V789-L836 HydrophobicContact CG1-CD1 4.31Å; V789-L836 HydrophobicContact CG2-CD1 3.74Å; V789-L843 HydrophobicContact CG1-CD1 4.13Å; V789-L843 HydrophobicContact CG1-CD2 4.16Å; V789-L843 HydrophobicContact CG1-CG 3.86Å
790I90.4Very high89.4Confident37 Ų3733 Ų3319%0.1919%0.19CC..Hα-helixtrans-59.6-35.8176.7-67.9164000111.3D786 K794D786-I790 HydrophobicContact CB-CD1 4.47Å; D786-I790 WeakPolarHBondContact O-CB 3.47Å; D786-I790 WeakPolarHBondContact O-CD1 3.47Å; D786-I790 WeakPolarHBondContact O-CG1 3.49Å; D786-I790 PolarHBondContact O-N 3.28Å; I790-K794 WeakPolarHBondContact O-CG 3.05Å; I790-K794 PolarHBondContact O-N 3.08Å
791S90.2Very high88.2Confident27 Ų2731.6 Ų31.619%0.18917%0.174CC..Hα-helixtrans-71.5-43.3176.9-60.70000112.1N787 L788 V789 K794 F795N787-S791 VanDerWaalsContact O-CB 3.29Å; N787-S791 WeakPolarHBondContact O-CB 3.48Å; N787-S791 PolarHBondContact O-N 3.08Å; N787-S791 PolarHBondContact O-OG 3.47Å; L788-S791 PolarHBondContact O-N 2.95Å; V789-S791 PolarHBondContact O-N 3.05Å; S791-K794 PolarHBondContact O-N 3.46Å; S791-F795 VanDerWaalsContact O-CD2 3.25Å; S791-F795 WeakPolarHBondContact O-CD2 3.42Å; S791-F795 PolarHBondContact O-N 3.44Å
792L92.4Very high86.6Confident0 Ų037.1 Ų37.10%020%0.204CC..Hα-helixtrans-66.6-39.1175.4-68.9178.9000112.6F769 L788 V789 K794 F795 T796 L824 V825 I828F769-L792 HydrophobicContact CD1-CD2 4.24Å; F769-L792 HydrophobicContact CD2-CD2 3.95Å; F769-L792 HydrophobicContact CE1-CD2 4.19Å; F769-L792 HydrophobicContact CE2-CD2 3.9Å; F769-L792 HydrophobicContact CG-CD2 4.12Å; F769-L792 HydrophobicContact CZ-CD2 4.01Å; L788-L792 HydrophobicContact CD2-CD1 3.64Å; L788-L792 HydrophobicContact CD2-CG 4.27Å; L788-L792 WeakPolarHBondContact O-CG 3.36Å; L788-L792 PolarHBondContact O-N 2.56Å; V789-L792 PolarHBondContact O-N 3.07Å; L792-K794 PolarHBondContact O-N 2.81Å; L792-F795 PolarHBondContact O-N 3.41Å; L792-T796 PolarHBondContact O-N 3.35Å; L792-L824 HydrophobicContact CD1-CB 4.48Å; L792-L824 HydrophobicContact CD1-CD2 3.8Å; L792-L824 HydrophobicContact CD1-CG 3.81Å; L792-L824 HydrophobicContact CD2-CD2 3.92Å; L792-V825 HydrophobicContact CB-CB 3.86Å; L792-V825 HydrophobicContact CB-CG2 3.79Å; L792-V825 HydrophobicContact CD1-CB 4.27Å; L792-V825 HydrophobicContact CD1-CG2 4.34Å; L792-I828 HydrophobicContact CD1-CD1 3.89Å
793C91.4Very high84.8Confident0 Ų040.4 Ų40.40%022%0.218CC..Hα-helixtrans-55.6-38.3174.1-76.80000112.1V789 F795 T796 L799V789-C793 WeakPolarHBondContact O-CB 3.44Å; V789-C793 PolarHBondContact O-N 3.36Å; V789-C793 PolarHBondContact O-SG 3.44Å; V789-C793 VanDerWaalsContact O-SG 3.36Å; C793-F795 PolarHBondContact O-N 2.85Å; C793-T796 WeakPolarHBondContact O-CB 3.24Å; C793-T796 PolarHBondContact O-N 3.11Å; C793-T796 PolarHBondContact O-OG1 2.92Å; C793-L799 HydrophobicContact CB-CD1 3.76Å; C793-L799 HydrophobicContact CB-CG 4.43Å
794K89.8Confident83.7Confident114 Ų11442 Ų4250%0.49623%0.227SC..Hα-helixtrans-63.6-40.1174.7-67.5163.8-171.9170.70112I790 S791 L792 T796 T797 L799I790-K794 WeakPolarHBondContact O-CG 3.05Å; I790-K794 PolarHBondContact O-N 3.08Å; S791-K794 PolarHBondContact O-N 3.46Å; L792-K794 PolarHBondContact O-N 2.81Å; K794-T796 PolarHBondContact O-N 3.25Å; K794-T797 PolarHBondContact O-N 3.34Å; K794-L799 HydrophobicContact CG-CD1 4.25Å
795F90.1Very high82.5Confident40 Ų4044.6 Ų44.618%0.17524%0.244CC..Hα-helixtrans-68.7-16.2177.5-68.6-55.1000114.7S750 F753 D754 S791 L792 C793 T797 A818 A821S750-F795 WeakPolarHBondContact O-CZ 3.45Å; F753-F795 HydrophobicContact CD1-CB 4.33Å; F753-F795 HydrophobicContact CD1-CD1 4.28Å; F753-F795 HydrophobicContact CD1-CD2 4.18Å; F753-F795 AromaticContact CD1-CG 4Å; F753-F795 HydrophobicContact CD1-CG 4Å; F753-F795 HydrophobicContact CE1-CB 4.03Å; F753-F795 HydrophobicContact CE1-CG 4.21Å; D754-F795 HydrophobicContact CB-CE1 3.71Å; D754-F795 HydrophobicContact CB-CZ 4.27Å; S791-F795 VanDerWaalsContact O-CD2 3.25Å; S791-F795 WeakPolarHBondContact O-CD2 3.42Å; S791-F795 PolarHBondContact O-N 3.44Å; L792-F795 PolarHBondContact O-N 3.41Å; C793-F795 PolarHBondContact O-N 2.85Å; F795-T797 PolarHBondContact O-N 3.33Å; F795-A818 WeakPolarHBondContact O-CA 3.09Å; F795-A821 HydrophobicContact CB-CB 3.64Å
796T88.3Confident81.6Confident0 Ų049 Ų490%027%0.271CS..THydrogen-bonded Turntrans-65.7-14.8168.474.70000112.9L792 C793 K794 L798 A818 A821 L822L792-T796 PolarHBondContact O-N 3.35Å; C793-T796 WeakPolarHBondContact O-CB 3.24Å; C793-T796 PolarHBondContact O-N 3.11Å; C793-T796 PolarHBondContact O-OG1 2.92Å; K794-T796 PolarHBondContact O-N 3.25Å; T796-L798 PolarHBondContact O-N 3.04Å; T796-L798 WeakPolarHBondContact OG1-CB 3.46Å; T796-L798 WeakPolarHBondContact OG1-CG 3.4Å; T796-L798 PolarHBondContact OG1-N 3.23Å; T796-A818 WeakPolarHBondContact O-CB 3.43Å; T796-A821 HydrophobicContact CG2-CB 4.38Å; T796-L822 HydrophobicContact CG2-CB 4.04Å; T796-L822 HydrophobicContact CG2-CD1 3.84Å
797T84.9Confident81.1Confident51 Ų5152.6 Ų52.631%0.31329%0.29SS..SBendtrans61.2-6.9-170.4650000116K794 F795 L799 T800 A801K794-T797 PolarHBondContact O-N 3.34Å; F795-T797 PolarHBondContact O-N 3.33Å; T797-L799 VanDerWaalsContact C-N 3.32Å; T797-L799 PolarHBondContact O-N 3.17Å; T797-T800 PolarHBondContact O-N 3.39Å; T797-T800 VanDerWaalsContact O-N 3.12Å; T797-T800 PolarHBondContact O-OG1 3.23Å; T797-A801 PolarHBondContact O-N 3.36Å
798L84.3Confident80.7Confident1 Ų149.6 Ų49.61%0.00527%0.274CS..G310 helixtrans-60-39.4179.5-60.5173.6000112.3T796 T800 L808 L822 C846 Q849 L850T796-L798 PolarHBondContact O-N 3.04Å; T796-L798 WeakPolarHBondContact OG1-CB 3.46Å; T796-L798 WeakPolarHBondContact OG1-CG 3.4Å; T796-L798 PolarHBondContact OG1-N 3.23Å; L798-T800 PolarHBondContact O-N 2.99Å; L798-L808 HydrophobicContact CD2-CD1 4.29Å; L798-L808 HydrophobicContact CD2-CD2 3.67Å; L798-L808 HydrophobicContact CD2-CG 4.07Å; L798-L822 HydrophobicContact CD1-CD1 3.87Å; L798-C846 HydrophobicContact CD1-CB 3.88Å; L798-Q849 HydrophobicContact CB-CB 4.04Å; L798-Q849 HydrophobicContact CB-CG 4.45Å; L798-Q849 HydrophobicContact CD2-CB 4.31Å; L798-Q849 WeakPolarHBondContact O-CG 3.31Å; L798-Q849 PolarHBondContact O-NE2 3.12Å; L798-L850 HydrophobicContact CD1-CD2 4.09Å; L798-L850 HydrophobicContact CD1-CG 4.04Å; L798-L850 HydrophobicContact CD2-CD2 4.28Å
799L81.5Confident80.3Confident42 Ų4250 Ų5022%0.2228%0.277CS..G310 helixtrans-70.7-14.4179.4-57.4-171.1000114.1C793 K794 T797 D845C793-L799 HydrophobicContact CB-CD1 3.76Å; C793-L799 HydrophobicContact CB-CG 4.43Å; K794-L799 HydrophobicContact CG-CD1 4.25Å; T797-L799 VanDerWaalsContact C-N 3.32Å; T797-L799 PolarHBondContact O-N 3.17Å; L799-D845 HydrophobicContact CD2-CB 3.36Å
800T72.4Confident79.8Confident100 Ų10051.5 Ų51.561%0.61329%0.285SS*.G310 helixtrans-114.7-2.7-175.547.90000113.3T797 L798 N802T797-T800 PolarHBondContact O-N 3.39Å; T797-T800 VanDerWaalsContact O-N 3.12Å; T797-T800 PolarHBondContact O-OG1 3.23Å; L798-T800 PolarHBondContact O-N 2.99Å; T800-N802 PolarHBondContact O-N 2.86Å
801A63.3Low79.5Confident19 Ų1954.3 Ų54.316%0.15730%0.298CS..  trans-80.797.5-178.400000111.2T797 L808 Q849T797-A801 PolarHBondContact O-N 3.36Å; A801-L808 HydrophobicContact CB-CD1 3.75Å; A801-Q849 PolarHBondContact O-NE2 2.84Å
802N60.5Low79.3Confident150 Ų15053.1 Ų53.180%0.80229%0.289SS*.  trans-79.81.9164.4-80-10.4000112.7T800T800-N802 PolarHBondContact O-N 2.86Å
803D53.1Low78.8Confident107 Ų10753.1 Ų53.157%0.57229%0.289SS*.SBendtrans-81.2159.7-174.4-70.4-57.7000113.6
804N67.6Low78.4Confident113 Ų11357.5 Ų57.560%0.60431%0.306SS*.  trans-59.1125.7-176.7-143.25.8000110.9T806 N807N804-T806 PolarHBondContact O-N 3.29Å; N804-N807 PolarHBondContact O-N 3.19Å
805P69Low78.3Confident53 Ų5354.6 Ų54.634%0.34430%0.296SS..THydrogen-bonded Turntrans-64.6-15.9-166.623.2-34.5000114.7N807 L808 R852P805-N807 PolarHBondContact O-N 3.13Å; P805-L808 PolarHBondContact O-N 2.89Å; P805-R852 HydrophobicContact CB-CB 4.14Å
806T74.5Confident77.9Confident95 Ų9555 Ų5558%0.58330%0.302SS*.THydrogen-bonded Turntrans-59-28.8170.9530000113.5N804N804-T806 PolarHBondContact O-N 3.29Å
807N82.2Confident77.9Confident80 Ų8056.5 Ų56.543%0.42831%0.308SS..THydrogen-bonded Turntrans-94.9-18-172.4-62.48.3000112.2N804 P805 P809 I810 M811N804-N807 PolarHBondContact O-N 3.19Å; P805-N807 PolarHBondContact O-N 3.13Å; N807-P809 VanDerWaalsContact C-CD 3.49Å; N807-I810 PolarHBondContact O-N 2.99Å; N807-M811 PolarHBondContact O-N 3.3Å
808L83.9Confident78.1Confident12 Ų1254 Ų546%0.06329%0.293CS..Hα-helixtrans-58-39.1-175.8-160.366000113.8L798 A801 P805 I810 M811 L812 Q849 A853L798-L808 HydrophobicContact CD2-CD1 4.29Å; L798-L808 HydrophobicContact CD2-CD2 3.67Å; L798-L808 HydrophobicContact CD2-CG 4.07Å; A801-L808 HydrophobicContact CB-CD1 3.75Å; P805-L808 PolarHBondContact O-N 2.89Å; L808-I810 VanDerWaalsContact C-N 3.31Å; L808-I810 PolarHBondContact O-N 2.88Å; L808-M811 PolarHBondContact O-N 3.4Å; L808-L812 VanDerWaalsContact O-CB 3.27Å; L808-L812 WeakPolarHBondContact O-CB 3.47Å; L808-L812 PolarHBondContact O-N 3.06Å; L808-Q849 HydrophobicContact CD2-CB 4.24Å; L808-A853 HydrophobicContact CB-CB 4.08Å; L808-A853 HydrophobicContact CD2-CB 4.06Å; L808-A853 HydrophobicContact CG-CB 4.48Å
809P83.3Confident78.4Confident9 Ų954 Ų546%0.05829%0.293CS..Hα-helixtrans-58-39.9172.5-26.736.5000113.9N807 G813 A853 L855 S1010 A1013N807-P809 VanDerWaalsContact C-CD 3.49Å; P809-G813 PolarHBondContact O-N 2.66Å; P809-A853 HydrophobicContact CG-CB 4.13Å; P809-L855 HydrophobicContact CB-CD1 4.36Å; P809-L855 HydrophobicContact CB-CD2 4.06Å; P809-L855 HydrophobicContact CB-CG 4.42Å; P809-L855 HydrophobicContact CG-CD1 4.18Å; P809-L855 HydrophobicContact CG-CD2 4.16Å; P809-L855 HydrophobicContact CG-CG 4.08Å; P809-S1010 WeakPolarHBondContact CB-OG 3.3Å; P809-A1013 WeakPolarHBondContact O-CB 3.18Å
810I83.4Confident78.8Confident32 Ų3252.6 Ų52.616%0.16429%0.286CS..Hα-helixtrans-73.3-41.8-178.3-58.6164.7000109.7N807 L808 R814 E1006N807-I810 PolarHBondContact O-N 2.99Å; L808-I810 VanDerWaalsContact C-N 3.31Å; L808-I810 PolarHBondContact O-N 2.88Å; I810-R814 VanDerWaalsContact CG2-NH1 3.32Å; I810-R814 WeakPolarHBondContact O-CB 3.42Å; I810-R814 VanDerWaalsContact O-CG 3.31Å; I810-R814 WeakPolarHBondContact O-CG 3.36Å; I810-R814 PolarHBondContact O-N 3.5Å; I810-E1006 HydrophobicContact CD1-CB 3.87Å; I810-E1006 HydrophobicContact CD1-CG 4.17Å; I810-E1006 HydrophobicContact CG1-CB 4.19Å; I810-E1006 HydrophobicContact CG2-CB 4.46Å; I810-E1006 HydrophobicContact CG2-CG 4.16Å
811M84Confident79.8Confident95 Ų9547.8 Ų47.847%0.46826%0.256SS..Hα-helixtrans-67.6-44.8178.4-65.9-178.975.900112N807 L808 N815N807-M811 PolarHBondContact O-N 3.3Å; L808-M811 PolarHBondContact O-N 3.4Å; M811-N815 VanDerWaalsContact O-CB 3.26Å; M811-N815 WeakPolarHBondContact O-CB 3.46Å; M811-N815 PolarHBondContact O-N 3.28Å
812L85.8Confident81.2Confident2 Ų246.9 Ų46.91%0.0125%0.249CC..Hα-helixtrans-61.5-50175.4179.159.5000111L808 R814 N815 A818 C819 L822 L850 L855 A1013L808-L812 VanDerWaalsContact O-CB 3.27Å; L808-L812 WeakPolarHBondContact O-CB 3.47Å; L808-L812 PolarHBondContact O-N 3.06Å; L812-R814 VanDerWaalsContact C-N 3.31Å; L812-R814 PolarHBondContact O-N 2.97Å; L812-N815 CarbonylContact O-C 3.36Å; L812-N815 PolarHBondContact O-N 3.19Å; L812-N815 VanDerWaalsContact O-O 3.09Å; L812-A818 HydrophobicContact CD1-CB 3.68Å; L812-C819 PolarHBondContact O-SG 3.41Å; L812-L822 HydrophobicContact CD1-CD2 4.39Å; L812-L822 HydrophobicContact CD2-CD2 3.92Å; L812-L850 HydrophobicContact CD2-CD2 4.12Å; L812-L855 HydrophobicContact CD2-CD1 4.02Å; L812-A1013 HydrophobicContact CB-CB 4.33Å; L812-A1013 HydrophobicContact CD2-CB 4.24Å; L812-A1013 HydrophobicContact CG-CB 4.24Å
813G81.8Confident82.7Confident0 Ų041.2 Ų41.20%022%0.217CC..Hα-helixtrans-66.5-27-17800000115P809 S1009P809-G813 PolarHBondContact O-N 2.66Å; G813-S1009 WeakPolarHBondContact CA-O 3.39Å
814R83.8Confident84.6Confident92 Ų9236.5 Ų36.535%0.34719%0.191SC..Hα-helixtrans-80.9-25.2171.2-72.7176.4171.8158.3-3.2112.8I810 L812 T816 L1004 E1006 S1009I810-R814 VanDerWaalsContact CG2-NH1 3.32Å; I810-R814 WeakPolarHBondContact O-CB 3.42Å; I810-R814 VanDerWaalsContact O-CG 3.31Å; I810-R814 WeakPolarHBondContact O-CG 3.36Å; I810-R814 PolarHBondContact O-N 3.5Å; L812-R814 VanDerWaalsContact C-N 3.31Å; L812-R814 PolarHBondContact O-N 2.97Å; R814-T816 PolarHBondContact O-N 2.94Å; R814-L1004 PolarHBondContact NE-O 3.39Å; R814-L1004 PolarHBondContact NH2-O 2.75Å; R814-E1006 IonicContact NH1-OE1 3.05Å; R814-S1009 WeakPolarHBondContact CG-OG 3.42Å; R814-S1009 PolarHBondContact NE-OG 2.86Å
815N86.9Confident85.8Confident53 Ų5331.1 Ų31.128%0.28316%0.162SC..  trans-92.994.4179.9-175-6.7000111.7M811 L812 K817 A818 C819M811-N815 VanDerWaalsContact O-CB 3.26Å; M811-N815 WeakPolarHBondContact O-CB 3.46Å; M811-N815 PolarHBondContact O-N 3.28Å; L812-N815 CarbonylContact O-C 3.36Å; L812-N815 PolarHBondContact O-N 3.19Å; L812-N815 VanDerWaalsContact O-O 3.09Å; N815-K817 VanDerWaalsContact C-N 3.26Å; N815-K817 PolarHBondContact O-N 2.84Å; N815-K817 WeakPolarHBondContact OD1-CB 3.48Å; N815-K817 PolarHBondContact OD1-N 2.91Å; N815-K817 VanDerWaalsContact OD1-N 3.13Å; N815-A818 HydrophobicContact CB-CB 3.94Å; N815-A818 WeakPolarHBondContact ND2-CB 3.45Å; N815-A818 PolarHBondContact O-N 2.97Å; N815-A818 PolarHBondContact OD1-N 3.27Å; N815-A818 VanDerWaalsContact OD1-N 3.15Å; N815-C819 PolarHBondContact O-N 2.97Å
816T82.3Confident86.9Confident50 Ų5028.7 Ų28.731%0.30715%0.146SC..Hα-helixtrans-56.9-36.1177.549.70000113.4R814 C819 L820R814-T816 PolarHBondContact O-N 2.94Å; T816-C819 PolarHBondContact O-N 3.45Å; T816-L820 WeakPolarHBondContact O-CB 3.31Å; T816-L820 VanDerWaalsContact O-CG 3.28Å; T816-L820 WeakPolarHBondContact O-CG 3.3Å; T816-L820 PolarHBondContact O-N 3.28Å
817K87.8Confident87.7Confident30 Ų3025.1 Ų25.113%0.1312%0.124CC..Hα-helixtrans-67-43.2179.3-50.6-167-168-162.20111.4F753 D754 T756 N757 N815 L820 A821F753-K817 HydrophobicContact CE1-CB 4.04Å; F753-K817 HydrophobicContact CZ-CB 4.22Å; F753-K817 WeakPolarHBondContact CZ-O 3.34Å; F753-K817 PolarHBondContact O-NZ 2.8Å; D754-K817 PolarHBondContact O-NZ 3.13Å; T756-K817 WeakPolarHBondContact O-CE 3Å; T756-K817 PolarHBondContact O-NZ 2.95Å; N757-K817 WeakPolarHBondContact OD1-CE 3.15Å; N757-K817 PolarHBondContact OD1-NZ 3.31Å; N815-K817 VanDerWaalsContact C-N 3.26Å; N815-K817 PolarHBondContact O-N 2.84Å; N815-K817 WeakPolarHBondContact OD1-CB 3.48Å; N815-K817 PolarHBondContact OD1-N 2.91Å; N815-K817 VanDerWaalsContact OD1-N 3.13Å; K817-L820 PolarHBondContact O-N 3.39Å; K817-A821 VanDerWaalsContact O-CB 3.3Å; K817-A821 WeakPolarHBondContact O-CB 3.49Å; K817-A821 PolarHBondContact O-N 2.79Å
818A89.7Confident88.1Confident0 Ų021.3 Ų21.30%010%0.104CC..Hα-helixtrans-64.6-41.4176.200000111.8F795 T796 L812 N815 A821 L822F795-A818 WeakPolarHBondContact O-CA 3.09Å; T796-A818 WeakPolarHBondContact O-CB 3.43Å; L812-A818 HydrophobicContact CD1-CB 3.68Å; N815-A818 HydrophobicContact CB-CB 3.94Å; N815-A818 WeakPolarHBondContact ND2-CB 3.45Å; N815-A818 PolarHBondContact O-N 2.97Å; N815-A818 PolarHBondContact OD1-N 3.27Å; N815-A818 VanDerWaalsContact OD1-N 3.15Å; A818-A821 PolarHBondContact O-N 3.35Å; A818-L822 WeakPolarHBondContact O-CB 3.44Å; A818-L822 PolarHBondContact O-N 3.05Å
819C89.9Confident88.5Confident0 Ų020.8 Ų20.80%010%0.102CC..Hα-helixtrans-60.1-45.4172.4-73.50000112.5L812 N815 T816 L822 Y823 F1012 I1016L812-C819 PolarHBondContact O-SG 3.41Å; N815-C819 PolarHBondContact O-N 2.97Å; T816-C819 PolarHBondContact O-N 3.45Å; C819-L822 PolarHBondContact O-N 3.38Å; C819-Y823 WeakPolarHBondContact O-CB 3.45Å; C819-Y823 PolarHBondContact O-N 2.94Å; C819-F1012 HydrophobicContact CB-CE1 4.36Å; C819-I1016 HydrophobicContact CB-CG1 4.34Å; C819-I1016 HydrophobicContact CB-CG2 4.25Å
820L89.7Confident88.7Confident12 Ų1223.2 Ų23.26%0.06312%0.119CC..Hα-helixtrans-67.4-41.5179.1-73.1168.7000112.2F753 I766 T816 K817 L824 L995 L996F753-L820 HydrophobicContact CZ-CB 4.19Å; I766-L820 HydrophobicContact CD1-CB 4.11Å; I766-L820 HydrophobicContact CD1-CD1 4.16Å; I766-L820 HydrophobicContact CD1-CD2 4.01Å; I766-L820 HydrophobicContact CD1-CG 4.32Å; T816-L820 WeakPolarHBondContact O-CB 3.31Å; T816-L820 VanDerWaalsContact O-CG 3.28Å; T816-L820 WeakPolarHBondContact O-CG 3.3Å; T816-L820 PolarHBondContact O-N 3.28Å; K817-L820 PolarHBondContact O-N 3.39Å; L820-L824 WeakPolarHBondContact O-CB 3.45Å; L820-L824 PolarHBondContact O-N 3.37Å; L820-L995 HydrophobicContact CD2-CD1 4.49Å; L820-L995 HydrophobicContact CD2-CD2 4.05Å; L820-L996 HydrophobicContact CD1-CD2 4.17Å
821A92.6Very high89Confident0 Ų027.3 Ų27.30%013%0.132CC..Hα-helixtrans-64.5-39.8175.200000112.1F753 F795 T796 K817 A818 L824 V825F753-A821 HydrophobicContact CE1-CB 4.08Å; F753-A821 HydrophobicContact CZ-CB 4.24Å; F795-A821 HydrophobicContact CB-CB 3.64Å; T796-A821 HydrophobicContact CG2-CB 4.38Å; K817-A821 VanDerWaalsContact O-CB 3.3Å; K817-A821 WeakPolarHBondContact O-CB 3.49Å; K817-A821 PolarHBondContact O-N 2.79Å; A818-A821 PolarHBondContact O-N 3.35Å; A821-L824 PolarHBondContact O-N 3.41Å; A821-V825 WeakPolarHBondContact O-CB 3.25Å; A821-V825 PolarHBondContact O-N 3.47Å
822L92.6Very high89.3Confident0 Ų023.9 Ų23.90%012%0.115CC..Hα-helixtrans-65-48.7177.1-171.867.7000111.3T796 L798 L812 A818 C819 L824 V825 F826 L850 V1017T796-L822 HydrophobicContact CG2-CB 4.04Å; T796-L822 HydrophobicContact CG2-CD1 3.84Å; L798-L822 HydrophobicContact CD1-CD1 3.87Å; L812-L822 HydrophobicContact CD1-CD2 4.39Å; L812-L822 HydrophobicContact CD2-CD2 3.92Å; A818-L822 WeakPolarHBondContact O-CB 3.44Å; A818-L822 PolarHBondContact O-N 3.05Å; C819-L822 PolarHBondContact O-N 3.38Å; L822-L824 VanDerWaalsContact C-N 3.34Å; L822-L824 PolarHBondContact O-N 2.87Å; L822-V825 PolarHBondContact O-N 3.14Å; L822-F826 HydrophobicContact CD1-CD2 4.02Å; L822-F826 HydrophobicContact CD1-CE2 3.71Å; L822-F826 HydrophobicContact CG-CD2 4.36Å; L822-F826 HydrophobicContact CG-CE2 4.47Å; L822-F826 WeakPolarHBondContact O-CD2 3.39Å; L822-F826 PolarHBondContact O-N 3.33Å; L822-L850 HydrophobicContact CD1-CD1 4.37Å; L822-L850 HydrophobicContact CD2-CD1 4.44Å; L822-L850 HydrophobicContact CD2-CD2 4.35Å; L822-V1017 HydrophobicContact CD2-CG2 3.99Å
823Y92.2Very high89.4Confident31 Ų3124 Ų2412%0.12212%0.117CC..Hα-helixtrans-59.7-44.7175179.1-102.5000111.8C819 T827 Q1019C819-Y823 WeakPolarHBondContact O-CB 3.45Å; C819-Y823 PolarHBondContact O-N 2.94Å; Y823-T827 VanDerWaalsContact O-CB 3.25Å; Y823-T827 WeakPolarHBondContact O-CB 3.45Å; Y823-T827 PolarHBondContact O-N 3.11Å; Y823-T827 PolarHBondContact O-OG1 2.94Å; Y823-Q1019 HydrophobicContact CD2-CB 4.4Å; Y823-Q1019 HydrophobicContact CE2-CB 4.34Å
824L92.9Very high89.7Confident7 Ų726.8 Ų26.84%0.03713%0.131CC..Hα-helixtrans-65.6-44-179.7-178.160.2000112.4I766 F769 L792 L820 A821 L822 F826 T827 I828I766-L824 HydrophobicContact CB-CD2 4.43Å; I766-L824 HydrophobicContact CG1-CD2 4.23Å; I766-L824 HydrophobicContact CG2-CD1 4.07Å; I766-L824 HydrophobicContact CG2-CD2 4.21Å; F769-L824 HydrophobicContact CB-CD2 3.83Å; F769-L824 HydrophobicContact CD2-CD2 4.08Å; F769-L824 HydrophobicContact CG-CD2 4.28Å; L792-L824 HydrophobicContact CD1-CB 4.48Å; L792-L824 HydrophobicContact CD1-CD2 3.8Å; L792-L824 HydrophobicContact CD1-CG 3.81Å; L792-L824 HydrophobicContact CD2-CD2 3.92Å; L820-L824 WeakPolarHBondContact O-CB 3.45Å; L820-L824 PolarHBondContact O-N 3.37Å; A821-L824 PolarHBondContact O-N 3.41Å; L822-L824 VanDerWaalsContact C-N 3.34Å; L822-L824 PolarHBondContact O-N 2.87Å; L824-F826 PolarHBondContact O-N 3.28Å; L824-T827 PolarHBondContact O-N 3.4Å; L824-I828 HydrophobicContact CD1-CD1 3.72Å; L824-I828 HydrophobicContact CD1-CG1 4.03Å; L824-I828 HydrophobicContact CD2-CD1 4.49Å; L824-I828 HydrophobicContact CG-CD1 3.84Å; L824-I828 HydrophobicContact CG-CG1 4.46Å; L824-I828 WeakPolarHBondContact O-CB 3.19Å; L824-I828 WeakPolarHBondContact O-CG1 3.23Å; L824-I828 PolarHBondContact O-N 3.25Å
825V93.6Very high89.9Confident0 Ų023.4 Ų23.40%012%0.12CC..Hα-helixtrans-67.6-38.6-176.481.10000111.8V789 L792 A821 L822 S829 L843V789-V825 HydrophobicContact CB-CG2 4.2Å; V789-V825 HydrophobicContact CG1-CG2 3.84Å; V789-V825 HydrophobicContact CG2-CG2 4.16Å; L792-V825 HydrophobicContact CB-CB 3.86Å; L792-V825 HydrophobicContact CB-CG2 3.79Å; L792-V825 HydrophobicContact CD1-CB 4.27Å; L792-V825 HydrophobicContact CD1-CG2 4.34Å; A821-V825 WeakPolarHBondContact O-CB 3.25Å; A821-V825 PolarHBondContact O-N 3.47Å; L822-V825 PolarHBondContact O-N 3.14Å; V825-S829 VanDerWaalsContact O-CB 3.31Å; V825-S829 WeakPolarHBondContact O-CB 3.4Å; V825-S829 PolarHBondContact O-N 3.48Å; V825-S829 PolarHBondContact O-OG 3.21Å; V825-L843 HydrophobicContact CG1-CD2 4.16Å; V825-L843 HydrophobicContact CG2-CD2 4.03Å
826F91.4Very high90Very high2 Ų221 Ų211%0.00911%0.107CC..Hα-helixtrans-72.8-32172.6-77.7-70.4000113L822 L824 S829 S830 L843 L847 C1020 I1022 L1025L822-F826 HydrophobicContact CD1-CD2 4.02Å; L822-F826 HydrophobicContact CD1-CE2 3.71Å; L822-F826 HydrophobicContact CG-CD2 4.36Å; L822-F826 HydrophobicContact CG-CE2 4.47Å; L822-F826 WeakPolarHBondContact O-CD2 3.39Å; L822-F826 PolarHBondContact O-N 3.33Å; L824-F826 PolarHBondContact O-N 3.28Å; F826-S829 PolarHBondContact O-N 3.09Å; F826-S830 WeakPolarHBondContact O-CB 3.18Å; F826-S830 PolarHBondContact O-N 3.32Å; F826-S830 PolarHBondContact O-OG 3.44Å; F826-L843 HydrophobicContact CE1-CD2 4.15Å; F826-L843 HydrophobicContact CZ-CD2 4.3Å; F826-L847 HydrophobicContact CE1-CD2 4.03Å; F826-L847 HydrophobicContact CE1-CG 4.37Å; F826-L847 HydrophobicContact CZ-CD2 3.6Å; F826-L847 HydrophobicContact CZ-CG 3.95Å; F826-C1020 HydrophobicContact CB-CB 3.87Å; F826-C1020 HydrophobicContact CD2-CB 4.18Å; F826-C1020 HydrophobicContact CG-CB 4.16Å; F826-I1022 HydrophobicContact CD1-CG1 4.02Å; F826-I1022 HydrophobicContact CD2-CG1 4.43Å; F826-I1022 HydrophobicContact CE1-CD1 4.45Å; F826-I1022 HydrophobicContact CE1-CG1 4.06Å; F826-I1022 HydrophobicContact CE1-CG2 4.28Å; F826-I1022 HydrophobicContact CE2-CD1 4.22Å; F826-I1022 HydrophobicContact CE2-CG1 4.46Å; F826-I1022 HydrophobicContact CG-CG1 4.23Å; F826-I1022 HydrophobicContact CZ-CD1 4.2Å; F826-I1022 HydrophobicContact CZ-CG1 4.29Å; F826-L1025 HydrophobicContact CD1-CD2 3.98Å; F826-L1025 HydrophobicContact CE1-CD2 4.19Å
827T91Very high90.4Very high20 Ų2020.9 Ų20.912%0.12310%0.101CC..Hα-helixtrans-66.6-40.7172.9-60.80000112.1Y823 L824 S830 R831 L988Y823-T827 VanDerWaalsContact O-CB 3.25Å; Y823-T827 WeakPolarHBondContact O-CB 3.45Å; Y823-T827 PolarHBondContact O-N 3.11Å; Y823-T827 PolarHBondContact O-OG1 2.94Å; L824-T827 PolarHBondContact O-N 3.4Å; T827-S830 PolarHBondContact O-OG 3.26Å; T827-R831 WeakPolarHBondContact O-CD 3.37Å; T827-R831 VanDerWaalsContact O-CG 3.24Å; T827-R831 WeakPolarHBondContact O-CG 3.36Å; T827-R831 PolarHBondContact O-N 3.28Å; T827-L988 HydrophobicContact CG2-CD2 4.16Å
828I91.9Very high90.4Very high0 Ų025.4 Ų25.40%012%0.118CC..Hα-helixtrans-68.5-44.9175-74.9172.4000110.3A773 L785 L788 V789 L792 L824 R831 H832A773-I828 HydrophobicContact CB-CB 4.49Å; A773-I828 HydrophobicContact CB-CD1 3.91Å; A773-I828 HydrophobicContact CB-CG1 4.04Å; A773-I828 HydrophobicContact CB-CG2 3.68Å; L785-I828 HydrophobicContact CD1-CG2 3.77Å; L788-I828 HydrophobicContact CD2-CD1 3.68Å; L788-I828 HydrophobicContact CD2-CG2 4.45Å; V789-I828 HydrophobicContact CG2-CG2 4.31Å; L792-I828 HydrophobicContact CD1-CD1 3.89Å; L824-I828 HydrophobicContact CD1-CD1 3.72Å; L824-I828 HydrophobicContact CD1-CG1 4.03Å; L824-I828 HydrophobicContact CD2-CD1 4.49Å; L824-I828 HydrophobicContact CG-CD1 3.84Å; L824-I828 HydrophobicContact CG-CG1 4.46Å; L824-I828 WeakPolarHBondContact O-CB 3.19Å; L824-I828 WeakPolarHBondContact O-CG1 3.23Å; L824-I828 PolarHBondContact O-N 3.25Å; I828-R831 PolarHBondContact O-N 3.4Å; I828-H832 PolarHBondContact O-N 3.36Å
829S91.2Very high90.2Very high2 Ų225.4 Ų25.41%0.01412%0.118CC..Hα-helixtrans-61.4-48.4179.2-55.70000111.6V825 F826 R831 H832 A833 L843V825-S829 VanDerWaalsContact O-CB 3.31Å; V825-S829 WeakPolarHBondContact O-CB 3.4Å; V825-S829 PolarHBondContact O-N 3.48Å; V825-S829 PolarHBondContact O-OG 3.21Å; F826-S829 PolarHBondContact O-N 3.09Å; S829-R831 PolarHBondContact O-N 2.85Å; S829-R831 VanDerWaalsContact O-N 3.12Å; S829-H832 PolarHBondContact O-N 2.9Å; S829-A833 WeakPolarHBondContact O-CA 3.26Å; S829-A833 WeakPolarHBondContact O-CB 3.45Å; S829-A833 PolarHBondContact O-N 3.19Å; S829-L843 WeakPolarHBondContact OG-CD1 3.2Å
830S88.7Confident90.2Very high59 Ų5925.8 Ų25.841%0.41312%0.119SC..Hα-helixtrans-64.7-15.5177.853.20000114.7F826 T827F826-S830 WeakPolarHBondContact O-CB 3.18Å; F826-S830 PolarHBondContact O-N 3.32Å; F826-S830 PolarHBondContact O-OG 3.44Å; T827-S830 PolarHBondContact O-OG 3.26Å
831R88.7Confident90.1Very high119 Ų11927.5 Ų27.545%0.44913%0.127SC..Hα-helixtrans-96.2-26.7174.9-69.7171.562.486.7-0.5114.3T827 I828 S829T827-R831 WeakPolarHBondContact O-CD 3.37Å; T827-R831 VanDerWaalsContact O-CG 3.24Å; T827-R831 WeakPolarHBondContact O-CG 3.36Å; T827-R831 PolarHBondContact O-N 3.28Å; I828-R831 PolarHBondContact O-N 3.4Å; S829-R831 PolarHBondContact O-N 2.85Å; S829-R831 VanDerWaalsContact O-N 3.12Å
832H90.4Very high89.9Confident22 Ų2228.4 Ų28.410%0.10213%0.133CC..Hα-helixtrans-138.517.2-165.9-55.7-56000114.2A777 L785 I828 S829 D834 I835 L836A777-H832 HydrophobicContact CB-CB 4.15Å; A777-H832 VanDerWaalsContact CB-ND1 3.27Å; A777-H832 WeakPolarHBondContact CB-ND1 3.18Å; L785-H832 HydrophobicContact CD1-CB 4.34Å; L785-H832 HydrophobicContact CD2-CB 3.83Å; L785-H832 VanDerWaalsContact CD2-O 3.25Å; L785-H832 WeakPolarHBondContact CD2-O 3.24Å; I828-H832 PolarHBondContact O-N 3.36Å; S829-H832 PolarHBondContact O-N 2.9Å; H832-D834 WeakPolarHBondContact CA-OD1 3.36Å; H832-D834 PolarHBondContact O-N 3.03Å; H832-I835 PolarHBondContact O-N 3.41Å; H832-I835 VanDerWaalsContact O-N 3.13Å; H832-L836 PolarHBondContact O-N 3.39Å
833A88.5Confident89.8Confident6 Ų628.4 Ų28.45%0.0513%0.133CC..THydrogen-bonded Turntrans-61.2-21.2179.700000114S829 I835 L836 W840 L1025 L1032 S1036S829-A833 WeakPolarHBondContact O-CA 3.26Å; S829-A833 WeakPolarHBondContact O-CB 3.45Å; S829-A833 PolarHBondContact O-N 3.19Å; A833-I835 PolarHBondContact O-N 2.87Å; A833-L836 PolarHBondContact O-N 3.03Å; A833-W840 HydrophobicContact CB-CH2 3.77Å; A833-W840 HydrophobicContact CB-CZ2 3.69Å; A833-L1025 HydrophobicContact CB-CD1 4.04Å; A833-L1032 VanDerWaalsContact C-CD2 3.49Å; A833-L1032 HydrophobicContact CB-CD2 3.48Å; A833-L1032 VanDerWaalsContact CB-CD2 3.48Å; A833-S1036 WeakPolarHBondContact O-CB 3.28Å; A833-S1036 PolarHBondContact O-OG 3.48Å
834D87.2Confident89.5Confident58 Ų5827.3 Ų27.331%0.3113%0.129SC..THydrogen-bonded Turntrans-59.7-29.5174.165.9-48.9000112.8H832 R837 V1033H832-D834 WeakPolarHBondContact CA-OD1 3.36Å; H832-D834 PolarHBondContact O-N 3.03Å; D834-R837 PolarHBondContact O-NH1 3.49Å; D834-R837 PolarHBondContact O-NH2 3.45Å; D834-V1033 HydrophobicContact CB-CG2 4.07Å
835I89.2Confident89.1Confident21 Ų2129.9 Ų29.911%0.10814%0.143CC..THydrogen-bonded Turntrans-101.7-16.7-179.7-71.8165000112.5A777 S782 L785 H832 A833 R837A777-I835 HydrophobicContact CB-CD1 4.05Å; A777-I835 WeakPolarHBondContact O-CD1 3.45Å; S782-I835 WeakPolarHBondContact CB-O 3.45Å; L785-I835 HydrophobicContact CD2-CB 4.1Å; L785-I835 HydrophobicContact CD2-CG2 3.98Å; H832-I835 PolarHBondContact O-N 3.41Å; H832-I835 VanDerWaalsContact O-N 3.13Å; A833-I835 PolarHBondContact O-N 2.87Å; I835-R837 PolarHBondContact O-NH1 3.4Å
836L88.6Confident88.8Confident1 Ų129.9 Ų29.91%0.00514%0.143CC..  trans-65142.4177.1-16171.5000112.7L785 D786 V789 H832 A833 W840 L843 S1036L785-L836 HydrophobicContact CD2-CB 4.31Å; L785-L836 HydrophobicContact CD2-CD1 4.18Å; L785-L836 HydrophobicContact CG-CD1 3.99Å; D786-L836 VanDerWaalsContact OD1-CD1 3.28Å; D786-L836 WeakPolarHBondContact OD1-CD1 3.5Å; V789-L836 HydrophobicContact CB-CD1 4.03Å; V789-L836 HydrophobicContact CG1-CD1 4.31Å; V789-L836 HydrophobicContact CG2-CD1 3.74Å; H832-L836 PolarHBondContact O-N 3.39Å; A833-L836 PolarHBondContact O-N 3.03Å; L836-W840 HydrophobicContact CD2-CD2 3.83Å; L836-W840 HydrophobicContact CD2-CE3 4.14Å; L836-W840 HydrophobicContact CD2-CG 4.17Å; L836-W840 HydrophobicContact CD2-CZ2 4.44Å; L836-L843 HydrophobicContact CD2-CD1 3.53Å; L836-S1036 PolarHBondContact O-OG 2.97Å
837R90.3Very high88.7Confident49 Ų4930.2 Ų30.219%0.18515%0.145CC..SBendtrans-132.8-84.3177.6-55.6-69.1177.8-91.8-1.9110.9D786 D834 I835 G839 W840 S1036 E1039D786-R837 PolarHBondContact OD1-N 3.36Å; D786-R837 WeakPolarHBondContact OD2-CB 3.1Å; D834-R837 PolarHBondContact O-NH1 3.49Å; D834-R837 PolarHBondContact O-NH2 3.45Å; I835-R837 PolarHBondContact O-NH1 3.4Å; R837-G839 VanDerWaalsContact C-N 3.31Å; R837-G839 PolarHBondContact O-N 3.48Å; R837-W840 PolarHBondContact O-N 3.48Å; R837-S1036 VanDerWaalsContact NH1-CB 3.31Å; R837-E1039 HydrophobicContact CB-CG 4.14Å
838Y87.4Confident88.4Confident125 Ų12530.5 Ų30.549%0.4915%0.145SC..THydrogen-bonded Turntrans-70.6-24.8-177.1-64.7-77.3000113.2D786 W840 H841D786-Y838 PolarHBondContact OD1-N 3.45Å; D786-Y838 VanDerWaalsContact OD1-N 3.08Å; D786-Y838 WeakPolarHBondContact OD2-CD2 3.37Å; D786-Y838 PolarHBondContact OD2-N 3.22Å; Y838-W840 PolarHBondContact O-N 3.1Å; Y838-W840 VanDerWaalsContact O-N 3.14Å; Y838-H841 PolarHBondContact O-N 2.87Å
839G86.6Confident88.1Confident0 Ų031.8 Ų31.80%015%0.152CC..Hα-helixtrans-61.2-20.8178.200000114.1D786 R837 H841 S842 L843D786-G839 PolarHBondContact OD1-N 2.9Å; R837-G839 VanDerWaalsContact C-N 3.31Å; R837-G839 PolarHBondContact O-N 3.48Å; G839-H841 PolarHBondContact O-N 3.32Å; G839-S842 PolarHBondContact O-N 2.96Å; G839-L843 WeakPolarHBondContact O-CG 3.34Å; G839-L843 PolarHBondContact O-N 2.94Å; G839-L843 VanDerWaalsContact O-N 3.11Å
840W90.2Very high87.9Confident8 Ų831.7 Ų31.73%0.0315%0.151CC..Hα-helixtrans-56.8-34.5173.9-75.2125000113.3A833 L836 R837 Y838 L843 L844 L1025 L1032 S1036 L1040 A1043A833-W840 HydrophobicContact CB-CH2 3.77Å; A833-W840 HydrophobicContact CB-CZ2 3.69Å; L836-W840 HydrophobicContact CD2-CD2 3.83Å; L836-W840 HydrophobicContact CD2-CE3 4.14Å; L836-W840 HydrophobicContact CD2-CG 4.17Å; L836-W840 HydrophobicContact CD2-CZ2 4.44Å; R837-W840 PolarHBondContact O-N 3.48Å; Y838-W840 PolarHBondContact O-N 3.1Å; Y838-W840 VanDerWaalsContact O-N 3.14Å; W840-L843 HydrophobicContact CE3-CD1 3.84Å; W840-L843 HydrophobicContact CZ3-CD1 4.14Å; W840-L843 PolarHBondContact O-N 3.06Å; W840-L844 WeakPolarHBondContact O-CB 3.15Å; W840-L844 VanDerWaalsContact O-CG 3.31Å; W840-L844 WeakPolarHBondContact O-CG 3.27Å; W840-L844 PolarHBondContact O-N 3.27Å; W840-L1025 HydrophobicContact CH2-CD1 4.03Å; W840-L1025 HydrophobicContact CH2-CG 4.31Å; W840-L1025 HydrophobicContact CZ3-CD1 4.43Å; W840-L1025 HydrophobicContact CZ3-CD2 4.12Å; W840-L1025 HydrophobicContact CZ3-CG 4.34Å; W840-L1032 HydrophobicContact CH2-CD1 4.4Å; W840-L1032 HydrophobicContact CZ2-CD1 3.87Å; W840-L1032 HydrophobicContact CZ2-CD2 4.43Å; W840-S1036 PolarHBondContact NE1-OG 3.17Å; W840-L1040 HydrophobicContact CD2-CB 4.12Å; W840-L1040 HydrophobicContact CD2-CD1 3.95Å; W840-L1040 HydrophobicContact CD2-CG 4.47Å; W840-L1040 HydrophobicContact CE3-CD1 3.78Å; W840-L1040 HydrophobicContact CG-CB 4.17Å; W840-L1040 HydrophobicContact CG-CD1 4.38Å; W840-L1040 HydrophobicContact CH2-CD2 4.21Å; W840-L1040 HydrophobicContact CZ2-CD2 4.21Å; W840-L1040 HydrophobicContact CZ3-CD1 4.16Å; W840-L1040 HydrophobicContact CZ3-CD2 4.48Å; W840-A1043 HydrophobicContact CB-CB 4.37Å
841H87Confident87.8Confident48 Ų4829 Ų2922%0.22213%0.132CC..Hα-helixtrans-62.9-53.4177.7-72.1-92.4000111.5Y838 G839 L843 L844 D845Y838-H841 PolarHBondContact O-N 2.87Å; G839-H841 PolarHBondContact O-N 3.32Å; H841-L843 VanDerWaalsContact C-N 3.27Å; H841-L843 PolarHBondContact O-N 2.83Å; H841-L844 PolarHBondContact O-N 3.42Å; H841-D845 PolarHBondContact O-N 2.77Å
842S88.3Confident87.5Confident18 Ų1826.3 Ų26.313%0.12612%0.122CC..Hα-helixtrans-66.9-26179.8-620000113.6G839 C846G839-S842 PolarHBondContact O-N 2.96Å; S842-C846 PolarHBondContact O-N 2.79Å; S842-C846 VanDerWaalsContact O-N 3.17Å; S842-C846 PolarHBondContact O-SG 2.62Å; S842-C846 VanDerWaalsContact O-SG 3.37Å
843L89.6Confident87.2Confident1 Ų125.6 Ų25.61%0.00512%0.12CC..Hα-helixtrans-67.6-45168.6-73.2171.8000111.7V789 V825 F826 S829 L836 G839 W840 H841 D845 C846 L847V789-L843 HydrophobicContact CG1-CD1 4.13Å; V789-L843 HydrophobicContact CG1-CD2 4.16Å; V789-L843 HydrophobicContact CG1-CG 3.86Å; V825-L843 HydrophobicContact CG1-CD2 4.16Å; V825-L843 HydrophobicContact CG2-CD2 4.03Å; F826-L843 HydrophobicContact CE1-CD2 4.15Å; F826-L843 HydrophobicContact CZ-CD2 4.3Å; S829-L843 WeakPolarHBondContact OG-CD1 3.2Å; L836-L843 HydrophobicContact CD2-CD1 3.53Å; G839-L843 WeakPolarHBondContact O-CG 3.34Å; G839-L843 PolarHBondContact O-N 2.94Å; G839-L843 VanDerWaalsContact O-N 3.11Å; W840-L843 HydrophobicContact CE3-CD1 3.84Å; W840-L843 HydrophobicContact CZ3-CD1 4.14Å; W840-L843 PolarHBondContact O-N 3.06Å; H841-L843 VanDerWaalsContact C-N 3.27Å; H841-L843 PolarHBondContact O-N 2.83Å; L843-D845 VanDerWaalsContact C-N 3.35Å; L843-C846 WeakPolarHBondContact O-CB 3.31Å; L843-C846 PolarHBondContact O-N 2.79Å; L843-L847 VanDerWaalsContact O-CG 3.32Å; L843-L847 WeakPolarHBondContact O-CG 3.25Å; L843-L847 PolarHBondContact O-N 3.28Å
844L87.7Confident87Confident8 Ų829.7 Ų29.74%0.04214%0.141CC..Hα-helixtrans-64.8-37.6177.6-72.9165.9000112.1W840 H841 L847 L848 A1043 L1044 L1179W840-L844 WeakPolarHBondContact O-CB 3.15Å; W840-L844 VanDerWaalsContact O-CG 3.31Å; W840-L844 WeakPolarHBondContact O-CG 3.27Å; W840-L844 PolarHBondContact O-N 3.27Å; H841-L844 PolarHBondContact O-N 3.42Å; L844-L847 HydrophobicContact CD2-CD1 4.23Å; L844-L847 WeakPolarHBondContact O-CB 3.36Å; L844-L847 PolarHBondContact O-N 3Å; L844-L848 WeakPolarHBondContact O-CB 3.3Å; L844-L848 WeakPolarHBondContact O-CG 3.26Å; L844-L848 PolarHBondContact O-N 3.17Å; L844-A1043 HydrophobicContact CD1-CB 3.53Å; L844-L1044 HydrophobicContact CD1-CD2 4.16Å; L844-L1044 HydrophobicContact CD1-CG 4.05Å; L844-L1044 HydrophobicContact CD2-CD2 3.58Å; L844-L1044 HydrophobicContact CD2-CG 4.26Å; L844-L1179 HydrophobicContact CD2-CD2 3.86Å
845D83.7Confident87Confident61 Ų6127.4 Ų27.433%0.32613%0.128SC..Hα-helixtrans-62.5-43.3172.9-65.7-35.5000111.7L799 H841 L843 L847 L848 Q849L799-D845 HydrophobicContact CD2-CB 3.36Å; H841-D845 PolarHBondContact O-N 2.77Å; L843-D845 VanDerWaalsContact C-N 3.35Å; D845-L847 PolarHBondContact O-N 3.37Å; D845-L848 PolarHBondContact O-N 3.16Å; D845-Q849 WeakPolarHBondContact O-CG 3.48Å; D845-Q849 PolarHBondContact O-N 3.15Å; D845-Q849 VanDerWaalsContact O-N 3.12Å
846C88.1Confident86.9Confident0 Ų026.9 Ų26.90%013%0.126CC..Hα-helixtrans-60.2-43.1171.6-75.90000111.8L798 S842 L843 Q849 L850L798-C846 HydrophobicContact CD1-CB 3.88Å; S842-C846 PolarHBondContact O-N 2.79Å; S842-C846 VanDerWaalsContact O-N 3.17Å; S842-C846 PolarHBondContact O-SG 2.62Å; S842-C846 VanDerWaalsContact O-SG 3.37Å; L843-C846 WeakPolarHBondContact O-CB 3.31Å; L843-C846 PolarHBondContact O-N 2.79Å; C846-Q849 PolarHBondContact O-N 2.68Å; C846-L850 WeakPolarHBondContact O-CG 3.2Å; C846-L850 PolarHBondContact O-N 2.62Å
847L88.3Confident86.6Confident9 Ų927.5 Ų27.55%0.04713%0.13CC..Hα-helixtrans-63.6-40.6177.1-70.4172.6000112.5F826 L843 L844 D845 Q849 L850 F851 L856 I1022 L1179F826-L847 HydrophobicContact CE1-CD2 4.03Å; F826-L847 HydrophobicContact CE1-CG 4.37Å; F826-L847 HydrophobicContact CZ-CD2 3.6Å; F826-L847 HydrophobicContact CZ-CG 3.95Å; L843-L847 VanDerWaalsContact O-CG 3.32Å; L843-L847 WeakPolarHBondContact O-CG 3.25Å; L843-L847 PolarHBondContact O-N 3.28Å; L844-L847 HydrophobicContact CD2-CD1 4.23Å; L844-L847 WeakPolarHBondContact O-CB 3.36Å; L844-L847 PolarHBondContact O-N 3Å; D845-L847 PolarHBondContact O-N 3.37Å; L847-Q849 VanDerWaalsContact C-N 3.31Å; L847-Q849 PolarHBondContact O-N 2.93Å; L847-L850 PolarHBondContact O-N 3.31Å; L847-F851 WeakPolarHBondContact O-CB 3.46Å; L847-F851 PolarHBondContact O-N 3.16Å; L847-L856 HydrophobicContact CD2-CD2 4.02Å; L847-I1022 HydrophobicContact CD1-CG2 4.45Å; L847-I1022 HydrophobicContact CD2-CD1 3.85Å; L847-I1022 HydrophobicContact CD2-CG1 4.45Å; L847-I1022 HydrophobicContact CD2-CG2 3.47Å; L847-I1022 VanDerWaalsContact CD2-CG2 3.47Å; L847-L1179 HydrophobicContact CD1-CD2 4.44Å
848L85.4Confident86.1Confident25 Ų2529.2 Ų29.213%0.13114%0.143CC..Hα-helixtrans-61.8-38175.4-82.6174.5000112.3L844 D845 F851 R852 C1172 F1175L844-L848 WeakPolarHBondContact O-CB 3.3Å; L844-L848 WeakPolarHBondContact O-CG 3.26Å; L844-L848 PolarHBondContact O-N 3.17Å; D845-L848 PolarHBondContact O-N 3.16Å; L848-F851 WeakPolarHBondContact O-CB 3.26Å; L848-F851 PolarHBondContact O-N 3.31Å; L848-R852 WeakPolarHBondContact O-CB 3.37Å; L848-R852 WeakPolarHBondContact O-CD 3.38Å; L848-R852 VanDerWaalsContact O-CG 3.23Å; L848-R852 WeakPolarHBondContact O-CG 3.45Å; L848-R852 PolarHBondContact O-N 3.45Å; L848-C1172 HydrophobicContact CD2-CB 3.77Å; L848-F1175 HydrophobicContact CD2-CD1 4.22Å
849Q85.7Confident85.8Confident28 Ų2829 Ų2913%0.13115%0.147CC..Hα-helixtrans-74.3-35.1176.9-63.2-7962.200111.9L798 A801 L808 D845 C846 L847 R852 A853L798-Q849 HydrophobicContact CB-CB 4.04Å; L798-Q849 HydrophobicContact CB-CG 4.45Å; L798-Q849 HydrophobicContact CD2-CB 4.31Å; L798-Q849 WeakPolarHBondContact O-CG 3.31Å; L798-Q849 PolarHBondContact O-NE2 3.12Å; A801-Q849 PolarHBondContact O-NE2 2.84Å; L808-Q849 HydrophobicContact CD2-CB 4.24Å; D845-Q849 WeakPolarHBondContact O-CG 3.48Å; D845-Q849 PolarHBondContact O-N 3.15Å; D845-Q849 VanDerWaalsContact O-N 3.12Å; C846-Q849 PolarHBondContact O-N 2.68Å; L847-Q849 VanDerWaalsContact C-N 3.31Å; L847-Q849 PolarHBondContact O-N 2.93Å; Q849-R852 PolarHBondContact O-N 3.09Å; Q849-A853 WeakPolarHBondContact O-CB 3.46Å; Q849-A853 PolarHBondContact O-N 3.3Å
850L87.4Confident85.7Confident0 Ų029.3 Ų29.30%015%0.148CC..Hα-helixtrans-65.7-37.2169.7-68.2179.2000112.4L798 L812 L822 C846 L847 A853 N854 L855 L856 V1017 I1022L798-L850 HydrophobicContact CD1-CD2 4.09Å; L798-L850 HydrophobicContact CD1-CG 4.04Å; L798-L850 HydrophobicContact CD2-CD2 4.28Å; L812-L850 HydrophobicContact CD2-CD2 4.12Å; L822-L850 HydrophobicContact CD1-CD1 4.37Å; L822-L850 HydrophobicContact CD2-CD1 4.44Å; L822-L850 HydrophobicContact CD2-CD2 4.35Å; C846-L850 WeakPolarHBondContact O-CG 3.2Å; C846-L850 PolarHBondContact O-N 2.62Å; L847-L850 PolarHBondContact O-N 3.31Å; L850-A853 PolarHBondContact O-N 3.3Å; L850-N854 PolarHBondContact O-N 3.38Å; L850-L855 HydrophobicContact CB-CB 4.47Å; L850-L855 HydrophobicContact CD2-CB 4.15Å; L850-L855 HydrophobicContact CD2-CD1 3.8Å; L850-L855 PolarHBondContact O-N 3.43Å; L850-L856 HydrophobicContact CB-CD2 3.63Å; L850-L856 HydrophobicContact CB-CG 3.94Å; L850-L856 HydrophobicContact CD1-CD2 4.02Å; L850-V1017 HydrophobicContact CD1-CG1 4.23Å; L850-V1017 HydrophobicContact CD1-CG2 4.11Å; L850-V1017 HydrophobicContact CD2-CG2 3.88Å; L850-I1022 HydrophobicContact CD1-CD1 4.17Å
851F86.5Confident85.4Confident3 Ų329.7 Ų29.71%0.01315%0.151CC..Hα-helixtrans-61.7-48.9171.9171.3-108.4000111.1L847 L848 A853 N854 L856 L861 I875 T877 D1171 F1175L847-F851 WeakPolarHBondContact O-CB 3.46Å; L847-F851 PolarHBondContact O-N 3.16Å; L848-F851 WeakPolarHBondContact O-CB 3.26Å; L848-F851 PolarHBondContact O-N 3.31Å; F851-A853 VanDerWaalsContact C-N 3.27Å; F851-A853 PolarHBondContact O-N 3.01Å; F851-N854 WeakPolarHBondContact O-CA 3.49Å; F851-N854 PolarHBondContact O-N 2.88Å; F851-L856 HydrophobicContact CB-CD1 3.76Å; F851-L861 HydrophobicContact CD2-CD2 3.7Å; F851-L861 HydrophobicContact CE2-CD2 3.97Å; F851-I875 HydrophobicContact CE2-CB 4.44Å; F851-I875 HydrophobicContact CE2-CG2 3.86Å; F851-I875 HydrophobicContact CZ-CG2 3.84Å; F851-T877 HydrophobicContact CE1-CG2 4.4Å; F851-D1171 HydrophobicContact CE1-CB 4Å; F851-D1171 WeakPolarHBondContact CE1-O 3.43Å; F851-D1171 HydrophobicContact CZ-CB 4.09Å; F851-F1175 HydrophobicContact CB-CD1 4.35Å; F851-F1175 HydrophobicContact CB-CE1 4.5Å; F851-F1175 HydrophobicContact CB-CG 4.45Å; F851-F1175 HydrophobicContact CD1-CB 4.17Å; F851-F1175 HydrophobicContact CD1-CG 4.35Å; F851-F1175 HydrophobicContact CD2-CB 4.22Å; F851-F1175 AromaticContact CD2-CD2 3.77Å; F851-F1175 HydrophobicContact CD2-CD2 3.77Å; F851-F1175 HydrophobicContact CD2-CE2 4.36Å; F851-F1175 AromaticContact CD2-CG 3.94Å; F851-F1175 HydrophobicContact CD2-CG 3.94Å; F851-F1175 HydrophobicContact CE1-CB 4.09Å; F851-F1175 HydrophobicContact CE2-CB 4.14Å; F851-F1175 HydrophobicContact CE2-CD2 4.13Å; F851-F1175 HydrophobicContact CE2-CG 4.29Å; F851-F1175 HydrophobicContact CG-CB 4.24Å; F851-F1175 HydrophobicContact CG-CD1 4.3Å; F851-F1175 HydrophobicContact CG-CD2 4.23Å; F851-F1175 AromaticContact CG-CG 3.98Å; F851-F1175 HydrophobicContact CG-CG 3.98Å; F851-F1175 HydrophobicContact CZ-CB 4.07Å
852R81.9Confident85.3Confident61 Ų6130.1 Ų30.123%0.2315%0.153CC..Hα-helixtrans-58.2-37.2176.3-74.6162.8168.9-156.9-8.7112.9P805 L848 Q849 N854 T1167 C1172P805-R852 HydrophobicContact CB-CB 4.14Å; L848-R852 WeakPolarHBondContact O-CB 3.37Å; L848-R852 WeakPolarHBondContact O-CD 3.38Å; L848-R852 VanDerWaalsContact O-CG 3.23Å; L848-R852 WeakPolarHBondContact O-CG 3.45Å; L848-R852 PolarHBondContact O-N 3.45Å; Q849-R852 PolarHBondContact O-N 3.09Å; R852-N854 PolarHBondContact O-N 3.29Å; R852-N854 PolarHBondContact O-ND2 2.67Å; R852-T1167 PolarHBondContact NH2-O 3.25Å; R852-C1172 PolarHBondContact NE-SG 2.67Å; R852-C1172 VanDerWaalsContact NE-SG 3.39Å
853A83.6Confident85Confident8 Ų829.4 Ų29.47%0.06615%0.147CC..THydrogen-bonded Turntrans-76.1-6.7174.700000114.4L808 P809 Q849 L850 F851 L855L808-A853 HydrophobicContact CB-CB 4.08Å; L808-A853 HydrophobicContact CD2-CB 4.06Å; L808-A853 HydrophobicContact CG-CB 4.48Å; P809-A853 HydrophobicContact CG-CB 4.13Å; Q849-A853 WeakPolarHBondContact O-CB 3.46Å; Q849-A853 PolarHBondContact O-N 3.3Å; L850-A853 PolarHBondContact O-N 3.3Å; F851-A853 VanDerWaalsContact C-N 3.27Å; F851-A853 PolarHBondContact O-N 3.01Å; A853-L855 VanDerWaalsContact C-N 3.28Å; A853-L855 HydrophobicContact CB-CB 4.42Å; A853-L855 HydrophobicContact CB-CD1 3.78Å; A853-L855 HydrophobicContact CB-CG 3.88Å; A853-L855 PolarHBondContact O-N 3.41Å
854N85.3Confident84.5Confident92 Ų9231.9 Ų31.949%0.49216%0.159SC..THydrogen-bonded Turntrans56.739.1-172.2-44.8-89.5000112.6L850 F851 R852 T877L850-N854 PolarHBondContact O-N 3.38Å; F851-N854 WeakPolarHBondContact O-CA 3.49Å; F851-N854 PolarHBondContact O-N 2.88Å; R852-N854 PolarHBondContact O-N 3.29Å; R852-N854 PolarHBondContact O-ND2 2.67Å; N854-T877 PolarHBondContact ND2-OG1 2.95Å; N854-T877 PolarHBondContact OD1-OG1 3.13Å
855L86.3Confident84.2Confident9 Ų931.8 Ų31.85%0.04716%0.159CC..  trans-98.8-12.9-179.1-77.4173.8000114.5P809 L812 L850 A853 A1013 V1017P809-L855 HydrophobicContact CB-CD1 4.36Å; P809-L855 HydrophobicContact CB-CD2 4.06Å; P809-L855 HydrophobicContact CB-CG 4.42Å; P809-L855 HydrophobicContact CG-CD1 4.18Å; P809-L855 HydrophobicContact CG-CD2 4.16Å; P809-L855 HydrophobicContact CG-CG 4.08Å; L812-L855 HydrophobicContact CD2-CD1 4.02Å; L850-L855 HydrophobicContact CB-CB 4.47Å; L850-L855 HydrophobicContact CD2-CB 4.15Å; L850-L855 HydrophobicContact CD2-CD1 3.8Å; L850-L855 PolarHBondContact O-N 3.43Å; A853-L855 VanDerWaalsContact C-N 3.28Å; A853-L855 HydrophobicContact CB-CB 4.42Å; A853-L855 HydrophobicContact CB-CD1 3.78Å; A853-L855 HydrophobicContact CB-CG 3.88Å; A853-L855 PolarHBondContact O-N 3.41Å; L855-A1013 HydrophobicContact CD2-CB 4.23Å; L855-V1017 HydrophobicContact CB-CG2 4.38Å; L855-V1017 VanDerWaalsContact O-CG1 3.32Å; L855-V1017 WeakPolarHBondContact O-CG1 3.3Å
856L86.2Confident84Confident10 Ų1030.2 Ų30.25%0.05215%0.149CC..SBendtrans-70.4149.5-176.6-69.6-178.9000112.6L847 L850 F851 L860 L861 V1017 I1022 F1175L847-L856 HydrophobicContact CD2-CD2 4.02Å; L850-L856 HydrophobicContact CB-CD2 3.63Å; L850-L856 HydrophobicContact CB-CG 3.94Å; L850-L856 HydrophobicContact CD1-CD2 4.02Å; F851-L856 HydrophobicContact CB-CD1 3.76Å; L856-L860 HydrophobicContact CD2-CD1 4.34Å; L856-L861 HydrophobicContact CB-CD2 4.23Å; L856-L861 HydrophobicContact CB-CG 4.42Å; L856-L861 HydrophobicContact CD1-CD2 4.39Å; L856-V1017 HydrophobicContact CD2-CG1 4.48Å; L856-I1022 HydrophobicContact CD2-CD1 4.03Å; L856-F1175 HydrophobicContact CD1-CE1 4.09Å; L856-F1175 HydrophobicContact CD1-CE2 3.64Å; L856-F1175 HydrophobicContact CD1-CZ 3.34Å
857P82.9Confident83.3Confident15 Ų1532.7 Ų32.710%0.09716%0.162CC..  trans-59.9147172.6-21.133.6000112.4E859 L860P857-E859 WeakPolarHBondContact CB-OE2 3.26Å; P857-E859 PolarHBondContact O-N 2.74Å; P857-E859 VanDerWaalsContact O-N 3.13Å; P857-L860 PolarHBondContact O-N 2.89Å; P857-L860 VanDerWaalsContact O-N 3.08Å
858N80.6Confident82.4Confident84 Ų8433.5 Ų33.545%0.44917%0.167SC..Hα-helixtrans-54.6-34.2-178.5-75.6-22.1000112.4L860 L861 E862 Y874N858-L860 PolarHBondContact O-N 3.36Å; N858-L861 CarbonylContact O-C 3.51Å; N858-L861 WeakPolarHBondContact O-CA 3.47Å; N858-L861 PolarHBondContact O-N 3.38Å; N858-E862 PolarHBondContact O-N 3.21Å; N858-Y874 HydrophobicContact CB-CE1 3.93Å
859E81.1Confident81.3Confident122 Ų12238.7 Ų38.757%0.5720%0.2SC*.Hα-helixtrans-57.4-31.3-179.6-63.171.5-159.900112.5P857P857-E859 WeakPolarHBondContact CB-OE2 3.26Å; P857-E859 PolarHBondContact O-N 2.74Å; P857-E859 VanDerWaalsContact O-N 3.13Å
860L83.3Confident80.2Confident5 Ų538.8 Ų38.83%0.02620%0.204CC..Hα-helixtrans-87.3-17.5174.6-61.8178.1000113L856 P857 N858 I1022 I1026 F1175 R1182L856-L860 HydrophobicContact CD2-CD1 4.34Å; P857-L860 PolarHBondContact O-N 2.89Å; P857-L860 VanDerWaalsContact O-N 3.08Å; N858-L860 PolarHBondContact O-N 3.36Å; L860-I1022 HydrophobicContact CD1-CB 3.97Å; L860-I1022 HydrophobicContact CD1-CG2 3.54Å; L860-I1026 HydrophobicContact CD2-CG1 4.35Å; L860-F1175 HydrophobicContact CB-CE2 4.33Å; L860-R1182 VanDerWaalsContact C-NH2 3.28Å; L860-R1182 PolarHBondContact O-NH1 3.03Å; L860-R1182 PolarHBondContact O-NH2 3Å
861L85Confident79.5Confident17 Ų1744 Ų449%0.08922%0.224CC..Hα-helixtrans-97.2-19.9-177.1-56-178.1000113.1F851 L856 N858 S863 Y874 I875 F1175F851-L861 HydrophobicContact CD2-CD2 3.7Å; F851-L861 HydrophobicContact CE2-CD2 3.97Å; L856-L861 HydrophobicContact CB-CD2 4.23Å; L856-L861 HydrophobicContact CB-CG 4.42Å; L856-L861 HydrophobicContact CD1-CD2 4.39Å; N858-L861 CarbonylContact O-C 3.51Å; N858-L861 WeakPolarHBondContact O-CA 3.47Å; N858-L861 PolarHBondContact O-N 3.38Å; L861-S863 PolarHBondContact O-N 3.41Å; L861-Y874 HydrophobicContact CB-CD1 4.21Å; L861-Y874 WeakPolarHBondContact O-CA 3.43Å; L861-I875 WeakPolarHBondContact O-CG1 3.44Å; L861-I875 PolarHBondContact O-N 2.7Å; L861-F1175 HydrophobicContact CD2-CD2 4.2Å; L861-F1175 HydrophobicContact CD2-CE2 4.09Å
862E85.2Confident79.3Confident57 Ų5747.1 Ų47.127%0.26624%0.237SC..EExtended strand (participates in β ladder)trans-70.3109.3175.7-71.9-166.3175.400112.3N858 K872 V873 Y874 I883 R1182N858-E862 PolarHBondContact O-N 3.21Å; E862-K872 WeakPolarHBondContact OE2-CD 3.31Å; E862-K872 WeakPolarHBondContact OE2-CE 3.39Å; E862-K872 IonicContact OE2-NZ 3.82Å; E862-K872 PolarHBondContact OE2-NZ 3.39Å; E862-V873 WeakPolarHBondContact CA-O 3.27Å; E862-Y874 HydrophobicContact CG-CD1 4.06Å; E862-Y874 HydrophobicContact CG-CE1 3.64Å; E862-I883 HydrophobicContact CG-CD1 3.93Å; E862-R1182 PolarHBondContact O-NH2 3.02Å
863S81.7Confident79.2Confident2 Ų244.2 Ų44.21%0.01423%0.226CC..EExtended strand (participates in β ladder)trans-103.5153.6167.2165.80000110.2L861 K872 V873 E1178 R1218L861-S863 PolarHBondContact O-N 3.41Å; S863-K872 CarbonylContact O-C 3.44Å; S863-K872 VanDerWaalsContact O-CA 3.24Å; S863-K872 WeakPolarHBondContact O-CA 3.24Å; S863-V873 PolarHBondContact N-O 3.27Å; S863-V873 PolarHBondContact O-N 3.37Å; S863-E1178 VanDerWaalsContact CB-OE1 3.3Å; S863-E1178 WeakPolarHBondContact CB-OE1 3.43Å; S863-E1178 VanDerWaalsContact OG-CD 3.3Å; S863-E1178 PolarHBondContact OG-OE1 2.91Å; S863-R1218 PolarHBondContact OG-NH1 2.93Å; S863-R1218 VanDerWaalsContact OG-NH1 3.08Å
864Q79.7Confident79.1Confident54 Ų5446.8 Ų46.825%0.25224%0.235SC..EExtended strand (participates in β ladder)trans-79.3141.4171.2-174.2172.20.700110F866 R871 R1218Q864-F866 HydrophobicContact CG-CE1 4.28Å; Q864-F866 HydrophobicContact CG-CZ 4.47Å; Q864-F866 VanDerWaalsContact NE2-CE1 3.31Å; Q864-R871 CarbonylContact C-O 3.51Å; Q864-R871 VanDerWaalsContact CA-O 3.3Å; Q864-R871 WeakPolarHBondContact CA-O 3.36Å; Q864-R871 WeakPolarHBondContact CG-O 3.31Å; Q864-R1218 PolarHBondContact O-NH1 2.9Å
865D80.6Confident78.9Confident6 Ų642.5 Ų42.53%0.03221%0.212CC..  trans-141.4110.1176.6-167.9-18.4000111.5L867 T868 R871 V873 R1218 Q1313D865-L867 PolarHBondContact O-N 3.26Å; D865-L867 VanDerWaalsContact O-N 3.17Å; D865-L867 VanDerWaalsContact OD1-CB 3.3Å; D865-L867 WeakPolarHBondContact OD1-CB 3.5Å; D865-L867 WeakPolarHBondContact OD1-CG 3.43Å; D865-L867 PolarHBondContact OD1-N 3.47Å; D865-T868 HydrophobicContact CB-CG2 4.28Å; D865-T868 PolarHBondContact O-N 3.44Å; D865-T868 PolarHBondContact O-OG1 3.24Å; D865-R871 PolarHBondContact N-O 2.95Å; D865-R871 WeakPolarHBondContact O-CA 3.34Å; D865-V873 HydrophobicContact CB-CB 4.39Å; D865-V873 HydrophobicContact CB-CG1 3.62Å; D865-V873 HydrophobicContact CB-CG2 3.97Å; D865-V873 WeakPolarHBondContact OD2-CG1 3.3Å; D865-R1218 VanDerWaalsContact CG-NH2 3.32Å; D865-R1218 IonicContact OD1-NH2 3.87Å; D865-R1218 IonicContact OD2-CZ 3.31Å; D865-R1218 IonicContact OD2-NH1 3.05Å; D865-R1218 IonicContact OD2-NH2 2.74Å; D865-R1218 PolarHBondContact OD2-NH2 3.49Å; D865-Q1313 PolarHBondContact OD1-NE2 2.95Å
866F78.7Confident78.6Confident28 Ų2843.1 Ų43.112%0.12322%0.216CC..THydrogen-bonded Turntrans-65.7-11.7-179.8-54.7-67000113.8Q864 T868 V1221 L1224 R1225 I1228 Q1313 D1320Q864-F866 HydrophobicContact CG-CE1 4.28Å; Q864-F866 HydrophobicContact CG-CZ 4.47Å; Q864-F866 VanDerWaalsContact NE2-CE1 3.31Å; F866-T868 VanDerWaalsContact C-N 3.35Å; F866-V1221 HydrophobicContact CD2-CG2 4.13Å; F866-V1221 HydrophobicContact CE2-CB 4.48Å; F866-V1221 HydrophobicContact CE2-CG1 4.14Å; F866-V1221 HydrophobicContact CE2-CG2 4.27Å; F866-L1224 HydrophobicContact CE2-CB 4.12Å; F866-L1224 HydrophobicContact CE2-CD1 4.21Å; F866-L1224 HydrophobicContact CZ-CB 4.42Å; F866-R1225 HydrophobicContact CZ-CG 4.36Å; F866-I1228 HydrophobicContact CE1-CD1 4.45Å; F866-I1228 HydrophobicContact CZ-CD1 4.27Å; F866-Q1313 HydrophobicContact CB-CG 4.46Å; F866-Q1313 HydrophobicContact CD2-CB 4.5Å; F866-D1320 HydrophobicContact CD1-CB 4.45Å; F866-D1320 HydrophobicContact CE1-CB 4.26Å
867L74.2Confident77.9Confident51 Ų5144.9 Ų44.927%0.26723%0.227SC..THydrogen-bonded Turntrans-82.3-7.1176-56.2179000114.2D865 R1309 R1312 Q1313D865-L867 PolarHBondContact O-N 3.26Å; D865-L867 VanDerWaalsContact O-N 3.17Å; D865-L867 VanDerWaalsContact OD1-CB 3.3Å; D865-L867 WeakPolarHBondContact OD1-CB 3.5Å; D865-L867 WeakPolarHBondContact OD1-CG 3.43Å; D865-L867 PolarHBondContact OD1-N 3.47Å; L867-R1309 HydrophobicContact CD1-CB 4.24Å; L867-R1309 HydrophobicContact CD1-CG 4.01Å; L867-R1312 HydrophobicContact CD2-CB 3.39Å; L867-Q1313 HydrophobicContact CD1-CG 3.99Å; L867-Q1313 HydrophobicContact CD2-CG 3.78Å; L867-Q1313 HydrophobicContact CG-CG 3.55Å
868T68.3Low77.2Confident26 Ų2652.8 Ų52.816%0.1626%0.26CS..SBendtrans-120.9140.8-16663.50000113.3D865 F866 S870 R871 V873 P882D865-T868 HydrophobicContact CB-CG2 4.28Å; D865-T868 PolarHBondContact O-N 3.44Å; D865-T868 PolarHBondContact O-OG1 3.24Å; F866-T868 VanDerWaalsContact C-N 3.35Å; T868-S870 WeakPolarHBondContact CB-OG 3.49Å; T868-S870 PolarHBondContact O-N 2.89Å; T868-S870 VanDerWaalsContact O-N 3.15Å; T868-S870 PolarHBondContact OG1-OG 2.9Å; T868-R871 WeakPolarHBondContact O-CA 3.08Å; T868-R871 PolarHBondContact O-N 3.46Å; T868-R871 PolarHBondContact OG1-N 3.45Å; T868-V873 HydrophobicContact CG2-CG1 4.14Å; T868-P882 HydrophobicContact CG2-CB 4.27Å; T868-P882 HydrophobicContact CG2-CG 4.18Å
869T63.3Low76.7Confident134 Ų13449.4 Ų49.482%0.82225%0.245SC*.THydrogen-bonded Turntrans-65.7-14.5176.3-29.30000113.4
870S62.7Low76.2Confident31 Ų3144.9 Ų44.922%0.21723%0.227CC..THydrogen-bonded Turntrans-81.9-16.4169.250.70000113.3T868 K872 I883T868-S870 WeakPolarHBondContact CB-OG 3.49Å; T868-S870 PolarHBondContact O-N 2.89Å; T868-S870 VanDerWaalsContact O-N 3.15Å; T868-S870 PolarHBondContact OG1-OG 2.9Å; S870-K872 PolarHBondContact O-N 3.5Å; S870-K872 PolarHBondContact OG-O 3.34Å; S870-I883 WeakPolarHBondContact CB-O 3.17Å
871R73.2Confident75.9Confident109 Ų10948.4 Ų48.441%0.41125%0.245SC..SBendtrans53.66.6-166.3-65.6178.3165.2-148.1-8.2114.8Q864 D865 T868 D1320Q864-R871 CarbonylContact C-O 3.51Å; Q864-R871 VanDerWaalsContact CA-O 3.3Å; Q864-R871 WeakPolarHBondContact CA-O 3.36Å; Q864-R871 WeakPolarHBondContact CG-O 3.31Å; D865-R871 PolarHBondContact N-O 2.95Å; D865-R871 WeakPolarHBondContact O-CA 3.34Å; T868-R871 WeakPolarHBondContact O-CA 3.08Å; T868-R871 PolarHBondContact O-N 3.46Å; T868-R871 PolarHBondContact OG1-N 3.45Å; R871-D1320 IonicContact CZ-OD1 3.37Å; R871-D1320 IonicContact CZ-OD2 3.86Å; R871-D1320 IonicContact NH1-OD1 2.73Å; R871-D1320 PolarHBondContact NH1-OD1 2.88Å; R871-D1320 IonicContact NH1-OD2 3.63Å; R871-D1320 PolarHBondContact NH1-OD2 3.22Å; R871-D1320 IonicContact NH2-OD1 2.82Å; R871-D1320 PolarHBondContact NH2-OD1 2.89Å; R871-D1320 IonicContact NH2-OD2 3.5Å
872K80.8Confident75.2Confident68 Ų6851.1 Ų51.130%0.29626%0.263SS..EExtended strand (participates in β ladder)trans-141.5146.6-176.1-73.2-171.5173.6-1740111.5E862 S863 S870 I883E862-K872 WeakPolarHBondContact OE2-CD 3.31Å; E862-K872 WeakPolarHBondContact OE2-CE 3.39Å; E862-K872 IonicContact OE2-NZ 3.82Å; E862-K872 PolarHBondContact OE2-NZ 3.39Å; S863-K872 CarbonylContact O-C 3.44Å; S863-K872 VanDerWaalsContact O-CA 3.24Å; S863-K872 WeakPolarHBondContact O-CA 3.24Å; S870-K872 PolarHBondContact O-N 3.5Å; S870-K872 PolarHBondContact OG-O 3.34Å; K872-I883 HydrophobicContact CB-CD1 3.62Å; K872-I883 HydrophobicContact CB-CG1 4.22Å; K872-I883 HydrophobicContact CD-CD1 4.34Å; K872-I883 PolarHBondContact O-N 2.86Å
873V80.9Confident74.6Confident1 Ų150.1 Ų50.11%0.00626%0.259CS..EExtended strand (participates in β ladder)trans-131.5151.9174.8-68.20000110.2E862 S863 D865 T868 C880 I881E862-V873 WeakPolarHBondContact CA-O 3.27Å; S863-V873 PolarHBondContact N-O 3.27Å; S863-V873 PolarHBondContact O-N 3.37Å; D865-V873 HydrophobicContact CB-CB 4.39Å; D865-V873 HydrophobicContact CB-CG1 3.62Å; D865-V873 HydrophobicContact CB-CG2 3.97Å; D865-V873 WeakPolarHBondContact OD2-CG1 3.3Å; T868-V873 HydrophobicContact CG2-CG1 4.14Å; V873-C880 HydrophobicContact CB-CB 4.08Å; V873-C880 HydrophobicContact CG1-CB 4.41Å; V873-C880 HydrophobicContact CG2-CB 3.88Å; V873-I881 CarbonylContact C-O 3.59Å; V873-I881 WeakPolarHBondContact CA-O 3.4Å; V873-I881 WeakPolarHBondContact CB-O 3.42Å
874Y81.2Confident73.5Confident62 Ų6259.4 Ų59.424%0.24330%0.299CS..EExtended strand (participates in β ladder)trans-85.2125.5162.3-68.5-62.8000109.9N858 L861 E862 C880 I881 I883N858-Y874 HydrophobicContact CB-CE1 3.93Å; L861-Y874 HydrophobicContact CB-CD1 4.21Å; L861-Y874 WeakPolarHBondContact O-CA 3.43Å; E862-Y874 HydrophobicContact CG-CD1 4.06Å; E862-Y874 HydrophobicContact CG-CE1 3.64Å; Y874-C880 CarbonylContact O-C 3.52Å; Y874-C880 WeakPolarHBondContact O-CA 3.44Å; Y874-I881 PolarHBondContact N-O 3.03Å; Y874-I881 PolarHBondContact O-N 3.01Å; Y874-I883 HydrophobicContact CD1-CD1 4.48Å; Y874-I883 HydrophobicContact CD2-CD1 4.35Å; Y874-I883 HydrophobicContact CD2-CG1 3.83Å; Y874-I883 HydrophobicContact CE1-CD1 4.14Å; Y874-I883 HydrophobicContact CE2-CB 4.47Å; Y874-I883 HydrophobicContact CE2-CD1 4.02Å; Y874-I883 HydrophobicContact CE2-CG1 3.72Å; Y874-I883 HydrophobicContact CE2-CG2 4.31Å; Y874-I883 HydrophobicContact CG-CG1 4.36Å
875I80.4Confident72.1Confident1 Ų163.5 Ų63.51%0.00532%0.316CS..EExtended strand (participates in β ladder)trans-71.2127165.1-50158.9000107.4F851 L861 V1174 F1175 E1178F851-I875 HydrophobicContact CE2-CB 4.44Å; F851-I875 HydrophobicContact CE2-CG2 3.86Å; F851-I875 HydrophobicContact CZ-CG2 3.84Å; L861-I875 WeakPolarHBondContact O-CG1 3.44Å; L861-I875 PolarHBondContact O-N 2.7Å; I875-V1174 HydrophobicContact CG2-CG1 3.97Å; I875-F1175 HydrophobicContact CG2-CB 4.44Å; I875-E1178 HydrophobicContact CD1-CB 3.59Å; I875-E1178 HydrophobicContact CD1-CG 3.63Å
876T80.9Confident70Confident22 Ų2270.2 Ų70.214%0.13535%0.348CS..EExtended strand (participates in β ladder)trans-138.8170.5178.272.50000111.4K878 G879 I881T876-K878 PolarHBondContact O-N 2.84Å; T876-K878 PolarHBondContact OG1-N 2.62Å; T876-G879 PolarHBondContact N-O 3.38Å; T876-G879 PolarHBondContact O-N 2.89Å; T876-G879 PolarHBondContact OG1-O 3.47Å; T876-I881 HydrophobicContact CG2-CD1 3.84Å; T876-I881 HydrophobicContact CG2-CG1 4.2Å
877T72.1Confident67.9Low47 Ų4774.6 Ų74.629%0.28838%0.381SS..THydrogen-bonded Turntrans-65.514.4168.249.30000115F851 N854F851-T877 HydrophobicContact CE1-CG2 4.4Å; N854-T877 PolarHBondContact ND2-OG1 2.95Å; N854-T877 PolarHBondContact OD1-OG1 3.13Å
878K66.9Low65.9Low182 Ų18279.4 Ų79.479%0.79140%0.4SS*.THydrogen-bonded Turntrans-136.325.3179-57.9-179.6-177.5176.10110.6T876T876-K878 PolarHBondContact O-N 2.84Å; T876-K878 PolarHBondContact OG1-N 2.62Å
879G69.6Low64Low12 Ų1286 Ų8612%0.12443%0.434CS..EExtended strand (participates in β ladder)trans78.1-164.7-169.900000114.2T876 D1171T876-G879 PolarHBondContact N-O 3.38Å; T876-G879 PolarHBondContact O-N 2.89Å; T876-G879 PolarHBondContact OG1-O 3.47Å; G879-D1171 VanDerWaalsContact CA-OD1 3.31Å; G879-D1171 WeakPolarHBondContact CA-OD1 3.47Å; G879-D1171 PolarHBondContact N-OD1 3.39Å; G879-D1171 VanDerWaalsContact N-OD1 3.15Å
880C72Confident62.4Low28 Ų2885 Ų8519%0.18943%0.433CS..EExtended strand (participates in β ladder)trans-87128.4-177.5-69.30000112.4V873 Y874V873-C880 HydrophobicContact CB-CB 4.08Å; V873-C880 HydrophobicContact CG1-CB 4.41Å; V873-C880 HydrophobicContact CG2-CB 3.88Å; Y874-C880 CarbonylContact O-C 3.52Å; Y874-C880 WeakPolarHBondContact O-CA 3.44Å
881I76Confident60.8Low79 Ų7994 Ų9441%0.40546%0.462SS..EExtended strand (participates in β ladder)trans-114.4125.7-176.6-53.9-176.8000110.6V873 Y874 T876V873-I881 CarbonylContact C-O 3.59Å; V873-I881 WeakPolarHBondContact CA-O 3.4Å; V873-I881 WeakPolarHBondContact CB-O 3.42Å; Y874-I881 PolarHBondContact N-O 3.03Å; Y874-I881 PolarHBondContact O-N 3.01Å; T876-I881 HydrophobicContact CG2-CD1 3.84Å; T876-I881 HydrophobicContact CG2-CG1 4.2Å
882P70.9Confident58.7Low74 Ų7494.6 Ų94.648%0.48147%0.469SS..EExtended strand (participates in β ladder)trans-61.4134.8178.4-24.234.4000114.2T868 K884T868-P882 HydrophobicContact CG2-CB 4.27Å; T868-P882 HydrophobicContact CG2-CG 4.18Å; P882-K884 PolarHBondContact O-N 2.99Å
883I71.6Confident56.2Low36 Ų3696.6 Ų96.619%0.18549%0.492CS..  trans-75108.6174.6-54.1-173.5000109.5E862 S870 K872 Y874 K885E862-I883 HydrophobicContact CG-CD1 3.93Å; S870-I883 WeakPolarHBondContact CB-O 3.17Å; K872-I883 HydrophobicContact CB-CD1 3.62Å; K872-I883 HydrophobicContact CB-CG1 4.22Å; K872-I883 HydrophobicContact CD-CD1 4.34Å; K872-I883 PolarHBondContact O-N 2.86Å; Y874-I883 HydrophobicContact CD1-CD1 4.48Å; Y874-I883 HydrophobicContact CD2-CD1 4.35Å; Y874-I883 HydrophobicContact CD2-CG1 3.83Å; Y874-I883 HydrophobicContact CE1-CD1 4.14Å; Y874-I883 HydrophobicContact CE2-CB 4.47Å; Y874-I883 HydrophobicContact CE2-CD1 4.02Å; Y874-I883 HydrophobicContact CE2-CG1 3.72Å; Y874-I883 HydrophobicContact CE2-CG2 4.31Å; Y874-I883 HydrophobicContact CG-CG1 4.36Å; I883-K885 PolarHBondContact O-N 3.42Å
884K58.9Low53.8Low196 Ų196102.7 Ų102.785%0.85252%0.52SS*.  trans-68.4126.5172.6-67.5-174.3177.8-176.10110.1P882 E886P882-K884 PolarHBondContact O-N 2.99Å; K884-E886 PolarHBondContact O-N 3.06Å
885K49.8Very low51.2Low140 Ų140110 Ų11061%0.60955%0.547SS*.  trans-67.4123.1167.6-68.3-179.9180175.10109.1I883 S887I883-K885 PolarHBondContact O-N 3.42Å; K885-S887 PolarHBondContact O-N 3.46Å
886E37.2Very low48.8Very low148 Ų148120.4 Ų120.469%0.69259%0.587SS**  trans-74.8107.4169-70.9-168.7139.500110.2K884 K888K884-E886 PolarHBondContact O-N 3.06Å; E886-K888 PolarHBondContact O-N 2.91Å; E886-K888 WeakPolarHBondContact OE2-CE 3.29Å; E886-K888 IonicContact OE2-NZ 3.35Å; E886-K888 PolarHBondContact OE2-NZ 3.32Å
887S34.5Very low46.2Very low119 Ų119129.8 Ų129.883%0.83262%0.619SS**  trans-71.2104.8169.544.60000110.4K885K885-S887 PolarHBondContact O-N 3.46Å
888K31.6Very low44.1Very low152 Ų152134.1 Ų134.166%0.66164%0.636SS**  trans-104.585179.3-78175.3-179.1150.50112.1E886E886-K888 PolarHBondContact O-N 2.91Å; E886-K888 WeakPolarHBondContact OE2-CE 3.29Å; E886-K888 IonicContact OE2-NZ 3.35Å; E886-K888 PolarHBondContact OE2-NZ 3.32Å
889N28.7Very low42.2Very low164 Ų164134.5 Ų134.588%0.87764%0.638SS**  trans176.8152146.8-86.2-26.1000107.3
890S31Very low40.2Very low113 Ų113138.3 Ų138.379%0.7967%0.668SS**  cis-113.3-177.313.868.50000114.3
891R27.6Very low38Very low221 Ų221141.8 Ų141.883%0.83469%0.693SS**  trans-152.2152.3174.5-99.8-177.4172.7168.6-1.2110.7
892H29.1Very low35.5Very low122 Ų122146.4 Ų146.457%0.56571%0.705SS**  trans79.6151.3177.5-50.6-31.9000113.7H894 R902H892-H894 AromaticContact CE1-CE1 3.79Å; H892-H894 AromaticContact ND1-CE1 3.55Å; H892-R902 PolarHBondContact CD2-NH2 3.3Å; H892-R902 VanDerWaalsContact CD2-NH2 3.34Å; H892-R902 PolarHBondContact NE2-NH2 3.25Å
893S28.8Very low33.3Very low110 Ų110149.4 Ų149.477%0.76972%0.717SS**  cis-114.7134.115.630.20000113.9
894H30.6Very low31Very low129 Ų129155.8 Ų155.860%0.59775%0.745SS**  64.1137.480-66.7-7.9000113.6H892H892-H894 AromaticContact CE1-CE1 3.79Å; H892-H894 AromaticContact ND1-CE1 3.55Å
895R27.8Very low29.3Very low214 Ų214152.6 Ų152.681%0.80874%0.738SS**  cis-168.1141.626-147.1176.5-176.3177.32.1115.5
896R28.6Very low28.2Very low221 Ų221151.4 Ų151.483%0.83475%0.747SS**  trans126.3135.6141.8-75.1174.7169.7164.1-1.7111.2
897R27Very low27.5Very low218 Ų218151.7 Ų151.782%0.82375%0.754SS**SBendcis-152.2152.16.5-114.1178.4169.9168.4-5.3106.2
898Q28Very low27.1Very low139 Ų139151.9 Ų151.965%0.6576%0.755SS**  cis-139.4154.19.2-60-164.926.800112.3
899K25.9Very low26.8Very low189 Ų189151.8 Ų151.882%0.82276%0.761SS**  trans42.8137138.6-63.3174.4-179.3177.10120.6
900A28.4Very low26.7Very low92 Ų92153.3 Ų153.376%0.7676%0.755SS**  cis-143.7153.71200000115.1
901S25.9Very low26.5Very low101 Ų101154.9 Ų154.971%0.70675%0.75SS**  trans-38.4153.1167.347.30000116.7
902R23.1Very low26.3Very low177 Ų177152.7 Ų152.767%0.66875%0.754SS**  56.3141.761.9-71.9-170.6-179.4-158.74.3111.6H892H892-R902 PolarHBondContact CD2-NH2 3.3Å; H892-R902 VanDerWaalsContact CD2-NH2 3.34Å; H892-R902 PolarHBondContact NE2-NH2 3.25Å
903L24.6Very low26Very low137 Ų137150 Ų15072%0.71776%0.759SS**  cis-163-174.78.1-127171.1000110.2
904Q23.7Very low26.1Very low169 Ų169150.7 Ų150.779%0.7976%0.758SS**  trans78.3147.2170.5-49.3-173.7-9.400115.5
905N24.2Very low25.8Very low129 Ų129153.4 Ų153.469%0.6977%0.769SS**  cis-150.1148.51.6-149.73000112.9
906S26.6Very low25.8Very low115 Ų115148.6 Ų148.680%0.80477%0.768SS**  trans-165.8123.9153.3-10.80000111.5
907N22.6Very low25.8Very low155 Ų155142.6 Ų142.683%0.82976%0.76SS**  trans-107.1149.2160.9-73.9-19.2000108.5
908S26.1Very low25.8Very low123 Ų123139.1 Ų139.186%0.8675%0.751SS**  trans-158161.8139.557.10000109.9
909N24.8Very low25.9Very low149 Ų149141.4 Ų141.480%0.79776%0.755SS**  trans-133.2148.5-168.2-109.8-18.7000110.3
910R25.4Very low26.3Very low197 Ų197139.5 Ų139.574%0.74375%0.749SS**  trans66.5117.4145.8-70.3-169.1152.8151.95.3122.4
911E26.8Very low26.5Very low145 Ų145142.5 Ų142.568%0.67874%0.742SS**  78146.3118.9-65.8158.4-156.200121.7
912L23.3Very low26.6Very low175 Ų175140.2 Ų140.292%0.91672%0.721SS**  trans68.9130.4170.9-58.8140.6000116.7
913G24.2Very low27Very low65 Ų65135.6 Ų135.667%0.6771%0.713SS**  cis168.2164.6-9.800000113.7
914V30.1Very low27.7Very low126 Ų126133.7 Ų133.776%0.76471%0.707SS**  trans67.8109.7154.8-1710000118.7S916V914-S916 VanDerWaalsContact C-N 3.35Å; V914-S916 PolarHBondContact O-N 3.33Å
915F25Very low27.9Very low186 Ų186129.3 Ų129.382%0.81671%0.707SS**SBendtrans59-20.8153.8-79.9-109.6000122.4S917F915-S917 PolarHBondContact O-N 2.92Å
916S27Very low28.1Very low112 Ų112127.8 Ų127.878%0.78371%0.707SS**G310 helixtrans-69.3-29.4-171.6-166.40000115.4V914V914-S916 VanDerWaalsContact C-N 3.35Å; V914-S916 PolarHBondContact O-N 3.33Å
917S28.1Very low28.1Very low96 Ų96126.3 Ų126.367%0.67170%0.696SS**G310 helixtrans-79.6-15.5-175.250.80000115F915 Y919 Q920F915-S917 PolarHBondContact O-N 2.92Å; S917-Y919 PolarHBondContact O-N 2.97Å; S917-Q920 PolarHBondContact O-N 3.4Å; S917-Q920 VanDerWaalsContact O-N 3.08Å
918F27.7Very low28.2Very low145 Ų145130.8 Ų130.864%0.63670%0.702SS**G310 helixtrans-61.8-31.2-175.8-171.7-107.7000112.7Q920F918-Q920 VanDerWaalsContact C-N 3.32Å; F918-Q920 PolarHBondContact O-N 3.46Å
919Y30.2Very low28.4Very low186 Ų186129.8 Ų129.873%0.72969%0.686SS**G310 helixtrans-72.1-25.3178.4-143.7-96.8000113.2S917 Y921 L922S917-Y919 PolarHBondContact O-N 2.97Å; Y919-Y921 VanDerWaalsContact C-N 3.32Å; Y919-L922 HydrophobicContact CD2-CD1 3.89Å; Y919-L922 HydrophobicContact CE2-CD1 4.18Å; Y919-L922 HydrophobicContact CG-CD1 4.19Å; Y919-L922 WeakPolarHBondContact O-CB 3.44Å; Y919-L922 PolarHBondContact O-N 3.44Å
920Q33.5Very low28.6Very low149 Ų149126.2 Ų126.270%0.69668%0.684SS**G310 helixtrans-80.8-15.3-177.2-162.1158.4-7.200112.9S917 F918 L922S917-Q920 PolarHBondContact O-N 3.4Å; S917-Q920 VanDerWaalsContact O-N 3.08Å; F918-Q920 VanDerWaalsContact C-N 3.32Å; F918-Q920 PolarHBondContact O-N 3.46Å; Q920-L922 VanDerWaalsContact C-N 3.29Å
921Y34.2Very low28.7Very low156 Ų156123.1 Ų123.161%0.61269%0.692SS**G310 helixtrans-71.8-18.9167.1173.7-108.8000112.8Y919 T923Y919-Y921 VanDerWaalsContact C-N 3.32Å; Y921-T923 PolarHBondContact O-N 2.98Å
922L26.5Very low28.8Very low53 Ų53119 Ų11928%0.27769%0.689SS.*G310 helixtrans-86.7-1.4-169.1-51.5178.6000115.3Y919 Q920Y919-L922 HydrophobicContact CD2-CD1 3.89Å; Y919-L922 HydrophobicContact CE2-CD1 4.18Å; Y919-L922 HydrophobicContact CG-CD1 4.19Å; Y919-L922 WeakPolarHBondContact O-CB 3.44Å; Y919-L922 PolarHBondContact O-N 3.44Å; Q920-L922 VanDerWaalsContact C-N 3.29Å
923T31.5Very low29.2Very low79 Ų79118 Ų11849%0.48568%0.684SS.*THydrogen-bonded Turntrans-130.2-29.3-168.950.30000116.3Y921Y921-T923 PolarHBondContact O-N 2.98Å
924T40.8Very low29.3Very low98 Ų98123.5 Ų123.560%0.60169%0.693SS**  trans-157.8121.3-178.644.70000109.9
925G27.6Very low29.4Very low77 Ų77125.1 Ų125.179%0.79470%0.697SS**  trans-143.6117.4-177.200000113.7
926S27.9Very low29.6Very low97 Ų97125.1 Ų125.168%0.67870%0.7SS**  trans-103.2147.4159.4-840000109.7
927S27.1Very low29.7Very low83 Ų83127.2 Ų127.258%0.5870%0.702SS**  trans-47.1138.6-169.9-173.50000116.3
928W24.7Very low29.7Very low250 Ų250129.1 Ų129.195%0.94771%0.705SS**  trans-114.1154.3143-94.577.8000109.1
929I29.7Very low29.9Very low102 Ų102129 Ų12952%0.52371%0.71SS.*  trans-127.9130179.8-66.1170.9000107.6
930G28.3Very low29.9Very low74 Ų74127.5 Ų127.576%0.76371%0.71SS**  trans-104.1158166.800000110.9
931S29.2Very low29.7Very low131 Ų131125.9 Ų125.992%0.91671%0.706SS**  trans-122.3163-173.9-56.90000112.4
932G27.7Very low29.6Very low59 Ų59125.7 Ų125.761%0.60871%0.708SS**  trans-173.9144.1162.100000106.5
933D31.7Very low29.7Very low153 Ų153127.8 Ų127.882%0.81872%0.72SS**  cis-141.7141.90.3-55.1-55.9000106.1
934E26.6Very low29.6Very low182 Ų182130.1 Ų130.185%0.8573%0.729SS**  68.715787.3-59.3-165166.200115.8
935D32.8Very low29Very low160 Ų160133 Ų13386%0.85674%0.736SS**  trans67.4107.2-161.8-50.3-21.2000113.5
936E28.8Very low29Very low186 Ų186135.2 Ų135.287%0.86973%0.729SS**  cis69.6121.627.9-57.6-163.2166.800115.9
937D28.7Very low28.9Very low156 Ų156136.6 Ų136.683%0.83473%0.729SS**  cis-150.3-144.8-25.1-131.78.6000107.9
938D28.1Very low29Very low135 Ų135138.9 Ų138.972%0.72274%0.735SS**  cis-159.9-149.79-160.2-23.1000108.7
939D32.2Very low29.1Very low142 Ų142135 Ų13576%0.75973%0.728SS**  trans7884.2165.1-83-17.4000120.5
940E29.8Very low29Very low156 Ų156136.6 Ų136.673%0.72974%0.737SS**  24.9148.1111.5-61.3-139.5132.500121.1
941L30.2Very low29.1Very low114 Ų114140.5 Ų140.560%0.59774%0.735SS**  cis-172.5153.2-4.6-105.9178.4000110
942K31.4Very low28.9Very low152 Ų152140.2 Ų140.266%0.66172%0.724SS**  trans67.8160.1140.7-67.7-172.9152.6-690121.1
943D28.1Very low28.9Very low97 Ų97144.7 Ų144.752%0.51973%0.733SS.*  cis-161.1161.1-10.4-108.1-5.9000109.7
944D29.4Very low28.6Very low128 Ų128145 Ų14568%0.68473%0.73SS**  trans55.5155.9140-58.6-1.9000123.2
945E28.4Very low28.7Very low158 Ų158142.4 Ų142.474%0.73872%0.721SS**  cis-169.3-174.5-33.1-149.7167.9-149.900108
946N27.9Very low28.5Very low124 Ų124141.2 Ų141.266%0.66371%0.713SS**  trans73.5149.3157.9-64.62.4000120.7
947D26.3Very low28.4Very low127 Ų127140 Ų14068%0.67971%0.711SS**  cis-170.6-176.1-26.4-115.6-14.9000111.9
948N29.9Very low28.3Very low131 Ų131138 Ų13870%0.70170%0.701SS**  trans85.6120172.3-42.9-81.9000113.8
949E25.6Very low28.3Very low169 Ų169138.6 Ų138.679%0.7970%0.697SS**  70.6132.261.1-61.2178.9161.500111
950D28.6Very low27.9Very low134 Ų134136.7 Ų136.772%0.71769%0.687SS**  cis-159.2167.433.5-134.1-23.5000114.1
951E29Very low27.8Very low157 Ų157136.9 Ų136.973%0.73469%0.691SS**  trans46.7158155-58.3-155.6117.900122.5
952N25.2Very low27.6Very low125 Ų125134.5 Ų134.567%0.66869%0.694SS**  cis-164.2147.9-31.6-107.3-39.2000107.9
953D28.4Very low27.5Very low152 Ų152135.7 Ų135.781%0.81371%0.706SS**  trans173.3127.1130.6-95.2-16.4000116.1
954E26.1Very low27.4Very low159 Ų159136.5 Ų136.574%0.74372%0.719SS**  trans66.3124.9144.7-65.4-129.711000125.4
955I28.8Very low27.2Very low128 Ų128136.5 Ų136.566%0.65673%0.729SS**  trans68.491.6146.3-55.7160.1000116.9
956I27.2Very low27.1Very low135 Ų135134.1 Ų134.169%0.69273%0.73SS**  70.311454.3-54.1172.7000114.7
957L28.2Very low27.1Very low160 Ų160136.6 Ų136.684%0.83874%0.742SS**  -151.8142.3112.4-110178.1000115.3
958N25.6Very low26.9Very low114 Ų114137.7 Ų137.761%0.6175%0.748SS**  trans-161.1156-164.4-81-78.8000107.5
959K27.6Very low26.8Very low148 Ų148137.9 Ų137.964%0.64376%0.758SS**  cis-161.2175.1-2.8-128.6-179.3173.8-69.10113.2
960D25.5Very low26.6Very low102 Ų102138.7 Ų138.755%0.54576%0.762SS.*  trans23.6139.8140.1-63.41.5000122.4
961I27.3Very low26.4Very low161 Ų161137.4 Ų137.483%0.82676%0.764SS**  trans67.1141.5140.5-63.3163.6000117.1
962G25.7Very low26.3Very low64 Ų64136.4 Ų136.466%0.6677%0.768SS**  cis133.1124.3-0.500000112.1
963I28.5Very low26.4Very low177 Ų177139 Ų13991%0.90878%0.776SS**  trans-138148.8177.4-61.9-177.5000110
964S25.6Very low26.6Very low114 Ų114136.7 Ų136.780%0.79777%0.769SS**  trans-120.1160.2-170.756.80000114.4
965S26.8Very low26.5Very low127 Ų127135.8 Ų135.889%0.88877%0.769SS**  trans-156162.8149.762.30000110
966S24.6Very low26.3Very low108 Ų108140.2 Ų140.276%0.75578%0.784SS**  trans-124150.2-162.8550000113.5
967L27.9Very low26.1Very low177 Ų177138.4 Ų138.493%0.92778%0.784SS**  trans-152.4125156.5-117.7157.2000110.6
968D22.9Very low25.9Very low149 Ų149140.6 Ų140.680%0.79779%0.786SS**  trans-78.9149.2-179.8-70.6-68000113
969C27.3Very low25.8Very low136 Ų136143.2 Ų143.292%0.91980%0.799SS**  trans-151.4151.6140.1-101.80000111.2
970Q22.2Very low25.7Very low185 Ų185146.7 Ų146.786%0.86482%0.815SS**  trans-102146.8-167.6-59.1164-8.500111.6
971S24.5Very low25.6Very low108 Ų108148.9 Ų148.976%0.75583%0.826SS**  160.6151120.252.60000115.7
972T27.3Very low25.5Very low135 Ų135148.4 Ų148.483%0.82883%0.826SS**  trans58.599.5156.747.70000121.7
973H25.9Very low25.4Very low181 Ų181152.2 Ų152.284%0.83883%0.831SS**  trans-53.6169.6136.2-78.4-57.1000112.3
974P32.1Very low25.2Very low103 Ų103149.9 Ų149.967%0.66982%0.82SS**  cis-152.8179.933.145.9-25.1000120.6
975N24.4Very low25.3Very low139 Ų139151.3 Ų151.374%0.74382%0.819SS**  trans62.4104.8149.9-62.9-14.6000121.7
976K25.1Very low25.4Very low221 Ų221152 Ų15296%0.96181%0.813SS**  trans-10299.1146.8-85.1-171.3174.6-177.40110.2
977S22.5Very low25.7Very low98 Ų98153.2 Ų153.269%0.68581%0.811SS**  trans-154.539.8174.352.70000113.8
978K23.9Very low26Very low206 Ų206148.9 Ų148.990%0.89679%0.788SS**  trans-157.293.4169.8-101.2-179.8-179.8179.40109.9
979L24.4Very low26.6Very low168 Ų168146.7 Ų146.788%0.8878%0.776SS**  trans-165.857.8168.6-120.6170.2000113.2
980F25.1Very low26.9Very low221 Ų221147.1 Ų147.197%0.96977%0.766SS**SBendtrans-150.243.1164-102.9-62.2000112.1
981N23.3Very low27.8Very low148 Ų148143.5 Ų143.579%0.79175%0.753SS**  trans-159.2102.4157.8-152.9-6.3000110.7
982N25Very low28.6Very low151 Ų151140.2 Ų140.281%0.80773%0.725SS**  trans-168.4124152.9-127.56.7000110.2N984N982-N984 PolarHBondContact O-N 3.45Å
983N24.5Very low29.3Very low145 Ų145137 Ų13778%0.77571%0.709SS**  trans-72122.2168.9-68.6-21.2000109.1
984N24.3Very low30.2Very low127 Ų127135.2 Ų135.268%0.67970%0.7SS**  trans-175.994.8159.5-97.9-25.1000110N982 N986N982-N984 PolarHBondContact O-N 3.45Å; N984-N986 PolarHBondContact O-N 3.18Å
985N27.7Very low31Very low144 Ų144131.2 Ų131.277%0.7767%0.673SS**THydrogen-bonded Turntrans-77.213.2-169.7-73.3-3000115.6
986N29.4Very low32Very low141 Ų141126.4 Ų126.475%0.75465%0.647SS**THydrogen-bonded Turntrans-98-3.2-172.6-68.71.9000114.7N984 L988N984-N986 PolarHBondContact O-N 3.18Å; N986-L988 PolarHBondContact O-N 3.03Å
987N29.2Very low33Very low135 Ų135119.3 Ų119.372%0.72263%0.626SS**  trans-97.935.4-172.1-76.2-1.6000115L989N987-L989 PolarHBondContact O-N 2.91Å
988L35.6Very low34.3Very low86 Ų86121.8 Ų121.845%0.4562%0.621SS.*G310 helixtrans-72.4-23.8-179.4-131.180.5000114.2T827 N986 M990 N991T827-L988 HydrophobicContact CG2-CD2 4.16Å; N986-L988 PolarHBondContact O-N 3.03Å; L988-M990 PolarHBondContact O-N 3.43Å; L988-N991 PolarHBondContact O-N 3.44Å
989L36Very low35.2Very low102 Ų102117 Ų11753%0.53461%0.609SS.*G310 helixtrans-57.8-30.8-177.5-93.574.1000113.8N987 N991 Q992N987-L989 PolarHBondContact O-N 2.91Å; L989-N991 PolarHBondContact O-N 2.76Å; L989-N991 VanDerWaalsContact O-N 3.15Å; L989-Q992 PolarHBondContact O-N 3.25Å; L989-Q992 VanDerWaalsContact O-N 3.16Å
990M32.6Very low36.3Very low146 Ų146116 Ų11672%0.71961%0.605SS**G310 helixtrans-59.8-30-174.5-95.6-73.2171.500113.7L988 Q992 S993L988-M990 PolarHBondContact O-N 3.43Å; M990-Q992 PolarHBondContact O-N 2.93Å; M990-S993 PolarHBondContact O-OG 3.19Å
991N40.1Very low37.8Very low108 Ų108106.6 Ų106.658%0.57856%0.562SS**G310 helixtrans-74.4-23.2-179.1-75.8-3.9000113.9L988 L989 S993 H994L988-N991 PolarHBondContact O-N 3.44Å; L989-N991 PolarHBondContact O-N 2.76Å; L989-N991 VanDerWaalsContact O-N 3.15Å; N991-S993 VanDerWaalsContact C-N 3.25Å; N991-S993 PolarHBondContact O-N 3.33Å; N991-H994 PolarHBondContact O-N 3.03Å
992Q43.2Very low39.3Very low39 Ų39104.2 Ų104.218%0.18256%0.558CS.*Hα-helixtrans-62-35.2-179.8-66.6176.7-1600112L989 M990 H994 L995 L996L989-Q992 PolarHBondContact O-N 3.25Å; L989-Q992 VanDerWaalsContact O-N 3.16Å; M990-Q992 PolarHBondContact O-N 2.93Å; Q992-H994 VanDerWaalsContact C-N 3.3Å; Q992-H994 PolarHBondContact O-N 3.28Å; Q992-L995 WeakPolarHBondContact O-CB 3.29Å; Q992-L995 PolarHBondContact O-N 3.3Å; Q992-L995 VanDerWaalsContact O-N 3.09Å; Q992-L996 PolarHBondContact O-N 2.63Å; Q992-L996 VanDerWaalsContact O-N 3.1Å
993S40.4Very low40.7Very low69 Ų69105.7 Ų105.748%0.48356%0.56SS.*Hα-helixtrans-59.4-37.8179.467.20000113.2M990 N991 L995 S997M990-S993 PolarHBondContact O-OG 3.19Å; N991-S993 VanDerWaalsContact C-N 3.25Å; N991-S993 PolarHBondContact O-N 3.33Å; S993-L995 VanDerWaalsContact C-N 3.28Å; S993-L995 PolarHBondContact O-N 3.37Å; S993-S997 WeakPolarHBondContact O-CB 3.42Å; S993-S997 PolarHBondContact O-N 3.17Å
994H46.1Very low42.5Very low142 Ų142101.1 Ų101.166%0.65754%0.535SS*.Hα-helixtrans-71.7-22.2178.4-117.2-68.7000113.4N991 Q992 S997N991-H994 PolarHBondContact O-N 3.03Å; Q992-H994 VanDerWaalsContact C-N 3.3Å; Q992-H994 PolarHBondContact O-N 3.28Å; H994-S997 PolarHBondContact O-OG 3.27Å
995L47.9Very low44.9Very low20 Ų2099.1 Ų99.111%0.10552%0.524CS..Hα-helixtrans-83.8-40.7179.8-139.5165.7000110.2L820 Q992 S993 R1001 F1012 I1016L820-L995 HydrophobicContact CD2-CD1 4.49Å; L820-L995 HydrophobicContact CD2-CD2 4.05Å; Q992-L995 WeakPolarHBondContact O-CB 3.29Å; Q992-L995 PolarHBondContact O-N 3.3Å; Q992-L995 VanDerWaalsContact O-N 3.09Å; S993-L995 VanDerWaalsContact C-N 3.28Å; S993-L995 PolarHBondContact O-N 3.37Å; L995-R1001 PolarHBondContact O-NH2 3.01Å; L995-F1012 HydrophobicContact CD2-CZ 3.96Å; L995-I1016 HydrophobicContact CD1-CD1 3.81Å; L995-I1016 HydrophobicContact CD2-CD1 3.8Å; L995-I1016 HydrophobicContact CG-CD1 3.87Å
996L46.4Very low47.5Very low37 Ų3797.7 Ų97.719%0.19451%0.513CS..Hα-helixtrans-77-22.7177.6-70.3163.9000113.9P759 L820 Q992 Y998 V999P759-L996 HydrophobicContact CB-CD2 3.92Å; L820-L996 HydrophobicContact CD1-CD2 4.17Å; Q992-L996 PolarHBondContact O-N 2.63Å; Q992-L996 VanDerWaalsContact O-N 3.1Å; L996-Y998 PolarHBondContact O-N 3.27Å; L996-V999 VanDerWaalsContact O-CG2 3.23Å; L996-V999 WeakPolarHBondContact O-CG2 3.42Å
997S46.3Very low49.9Very low73 Ų7397 Ų9751%0.5151%0.505SS..THydrogen-bonded Turntrans-67.22.2-173.164.70000116.7S993 H994S993-S997 WeakPolarHBondContact O-CB 3.42Å; S993-S997 PolarHBondContact O-N 3.17Å; H994-S997 PolarHBondContact O-OG 3.27Å
998Y48.4Very low52.4Low150 Ų15093.3 Ų93.359%0.58849%0.488SS*.  trans-116.587.4176.5-66.8-93.8000109.4L996 R1001L996-Y998 PolarHBondContact O-N 3.27Å; Y998-R1001 WeakPolarHBondContact O-CG 3.42Å; Y998-R1001 PolarHBondContact O-NE 3.26Å
999V42.4Very low54.6Low106 Ų10689.2 Ų89.264%0.64247%0.466SS*.  trans-94.8-0.8-163.1-173.80000114.3L996L996-V999 VanDerWaalsContact O-CG2 3.23Å; L996-V999 WeakPolarHBondContact O-CG2 3.42Å
1000N48.5Very low56.8Low147 Ų14786.2 Ų86.279%0.78645%0.454SS*.  trans-13085.8173.8-107.2-34.5000111
1001R56.1Low59.3Low22 Ų2287.1 Ų87.18%0.08345%0.449CS..  trans-106.9-6.5-172.3-67.2-178-174.6-12317.6115.6L995 Y998 Q1003 L1004 F1012L995-R1001 PolarHBondContact O-NH2 3.01Å; Y998-R1001 WeakPolarHBondContact O-CG 3.42Å; Y998-R1001 PolarHBondContact O-NE 3.26Å; R1001-Q1003 PolarHBondContact O-N 3.26Å; R1001-Q1003 VanDerWaalsContact O-N 3.08Å; R1001-L1004 HydrophobicContact CB-CD1 3.86Å; R1001-L1004 HydrophobicContact CB-CG 4.29Å; R1001-L1004 HydrophobicContact CG-CD1 3.97Å; R1001-L1004 PolarHBondContact O-N 3.5Å; R1001-L1004 VanDerWaalsContact O-N 3.11Å; R1001-F1012 VanDerWaalsContact NH1-CD1 3.27Å; R1001-F1012 VanDerWaalsContact NH2-CZ 3.3Å
1002S54.3Low61.3Low99 Ų9983.3 Ų83.369%0.69243%0.428SS*.THydrogen-bonded Turntrans-64.2-10.8176.850.60000114.1
1003Q55.1Low63.3Low182 Ų18281.5 Ų81.585%0.8542%0.419SS*.THydrogen-bonded Turntrans-109.210.9177-64.4-176-20.400113.7R1001R1001-Q1003 PolarHBondContact O-N 3.26Å; R1001-Q1003 VanDerWaalsContact O-N 3.08Å
1004L62.4Low65.5Low48 Ų4880.1 Ų80.125%0.25141%0.409SS..  trans-64.7136.1171.6-72.7174.2000110.6R814 R1001 S1009R814-L1004 PolarHBondContact NE-O 3.39Å; R814-L1004 PolarHBondContact NH2-O 2.75Å; R1001-L1004 HydrophobicContact CB-CD1 3.86Å; R1001-L1004 HydrophobicContact CB-CG 4.29Å; R1001-L1004 HydrophobicContact CG-CD1 3.97Å; R1001-L1004 PolarHBondContact O-N 3.5Å; R1001-L1004 VanDerWaalsContact O-N 3.11Å; L1004-S1009 WeakPolarHBondContact CB-OG 3.46Å
1005D75.7Confident67.4Low85 Ų8578.5 Ų78.546%0.45540%0.402SS..  trans-67.5168.8171.793.2-22.7000110.6Q1007 T1008 S1009D1005-Q1007 VanDerWaalsContact C-N 3.33Å; D1005-Q1007 PolarHBondContact O-N 2.7Å; D1005-Q1007 PolarHBondContact OD1-N 2.94Å; D1005-T1008 PolarHBondContact N-OG1 3.15Å; D1005-T1008 PolarHBondContact O-OG1 2.92Å; D1005-T1008 VanDerWaalsContact OD1-CB 3.24Å; D1005-T1008 WeakPolarHBondContact OD1-CB 3.45Å; D1005-T1008 VanDerWaalsContact OD1-CG2 3.29Å; D1005-T1008 WeakPolarHBondContact OD1-CG2 3.45Å; D1005-T1008 PolarHBondContact OD1-N 3.17Å; D1005-T1008 PolarHBondContact OD1-OG1 2.8Å; D1005-S1009 VanDerWaalsContact O-CB 3.28Å; D1005-S1009 WeakPolarHBondContact O-CB 3.45Å; D1005-S1009 PolarHBondContact O-N 3.42Å; D1005-S1009 PolarHBondContact O-OG 3.37Å
1006E81.2Confident69.2Low115 Ų11577.6 Ų77.654%0.53740%0.397SS..Hα-helixtrans-71.9-30.3-170.9-63.1-173.7160.400112.3I810 R814 S1010I810-E1006 HydrophobicContact CD1-CB 3.87Å; I810-E1006 HydrophobicContact CD1-CG 4.17Å; I810-E1006 HydrophobicContact CG1-CB 4.19Å; I810-E1006 HydrophobicContact CG2-CB 4.46Å; I810-E1006 HydrophobicContact CG2-CG 4.16Å; R814-E1006 IonicContact NH1-OE1 3.05Å; E1006-S1010 VanDerWaalsContact O-CB 3.27Å; E1006-S1010 WeakPolarHBondContact O-CB 3.38Å; E1006-S1010 PolarHBondContact O-N 3.24Å
1007Q79.8Confident71.2Confident126 Ų12675.8 Ų75.859%0.58939%0.388SS*.Hα-helixtrans-73.2-43.4176.9-61.2-166.313.100112.2D1005 S1010 R1011D1005-Q1007 VanDerWaalsContact C-N 3.33Å; D1005-Q1007 PolarHBondContact O-N 2.7Å; D1005-Q1007 PolarHBondContact OD1-N 2.94Å; Q1007-S1010 PolarHBondContact O-N 3.35Å; Q1007-R1011 WeakPolarHBondContact O-CB 3.34Å; Q1007-R1011 VanDerWaalsContact O-CG 3.25Å; Q1007-R1011 WeakPolarHBondContact O-CG 3.2Å; Q1007-R1011 PolarHBondContact O-N 3.32Å
1008T81.9Confident73Confident58 Ų5877.4 Ų77.436%0.35639%0.39SS..Hα-helixtrans-69.1-37.1176.253.10000111.8D1005 F1012D1005-T1008 PolarHBondContact N-OG1 3.15Å; D1005-T1008 PolarHBondContact O-OG1 2.92Å; D1005-T1008 VanDerWaalsContact OD1-CB 3.24Å; D1005-T1008 WeakPolarHBondContact OD1-CB 3.45Å; D1005-T1008 VanDerWaalsContact OD1-CG2 3.29Å; D1005-T1008 WeakPolarHBondContact OD1-CG2 3.45Å; D1005-T1008 PolarHBondContact OD1-N 3.17Å; D1005-T1008 PolarHBondContact OD1-OG1 2.8Å; T1008-F1012 WeakPolarHBondContact O-CB 3.2Å; T1008-F1012 PolarHBondContact O-N 3.04Å
1009S82.4Confident74.8Confident0 Ų074.1 Ų74.10%038%0.38CS..Hα-helixtrans-59.2-51.7171-56.50000111.1G813 R814 L1004 D1005 F1012 A1013G813-S1009 WeakPolarHBondContact CA-O 3.39Å; R814-S1009 WeakPolarHBondContact CG-OG 3.42Å; R814-S1009 PolarHBondContact NE-OG 2.86Å; L1004-S1009 WeakPolarHBondContact CB-OG 3.46Å; D1005-S1009 VanDerWaalsContact O-CB 3.28Å; D1005-S1009 WeakPolarHBondContact O-CB 3.45Å; D1005-S1009 PolarHBondContact O-N 3.42Å; D1005-S1009 PolarHBondContact O-OG 3.37Å; S1009-F1012 PolarHBondContact O-N 3.06Å; S1009-A1013 PolarHBondContact O-N 3.46Å
1010S82.8Confident76.9Confident39 Ų3969.3 Ų69.327%0.27335%0.351SS..Hα-helixtrans-62.8-44.8179.7-175.30000112.5P809 E1006 Q1007 F1012 A1013 S1014P809-S1010 WeakPolarHBondContact CB-OG 3.3Å; E1006-S1010 VanDerWaalsContact O-CB 3.27Å; E1006-S1010 WeakPolarHBondContact O-CB 3.38Å; E1006-S1010 PolarHBondContact O-N 3.24Å; Q1007-S1010 PolarHBondContact O-N 3.35Å; S1010-F1012 VanDerWaalsContact C-N 3.34Å; S1010-F1012 PolarHBondContact O-N 3.14Å; S1010-A1013 WeakPolarHBondContact O-CB 3.23Å; S1010-A1013 PolarHBondContact O-N 3.26Å; S1010-S1014 PolarHBondContact O-N 3.24Å; S1010-S1014 PolarHBondContact O-OG 2.76Å; S1010-S1014 VanDerWaalsContact O-OG 3.09Å
1011R83.7Confident78.7Confident164 Ų16470 Ų7062%0.61934%0.342SS*.Hα-helixtrans-59.2-42.1174.7-75.5174.9-172.4169.28.5112.5Q1007 S1014 E1015Q1007-R1011 WeakPolarHBondContact O-CB 3.34Å; Q1007-R1011 VanDerWaalsContact O-CG 3.25Å; Q1007-R1011 WeakPolarHBondContact O-CG 3.2Å; Q1007-R1011 PolarHBondContact O-N 3.32Å; R1011-S1014 WeakPolarHBondContact O-CB 3.21Å; R1011-S1014 PolarHBondContact O-N 3.05Å; R1011-E1015 PolarHBondContact O-N 2.79Å
1012F82.2Confident80.2Confident29 Ų2969 Ų6913%0.12734%0.339CS..Hα-helixtrans-65.8-39.5177.7-178.4-103.7000111.9C819 L995 R1001 T1008 S1009 S1010 S1014 E1015 I1016C819-F1012 HydrophobicContact CB-CE1 4.36Å; L995-F1012 HydrophobicContact CD2-CZ 3.96Å; R1001-F1012 VanDerWaalsContact NH1-CD1 3.27Å; R1001-F1012 VanDerWaalsContact NH2-CZ 3.3Å; T1008-F1012 WeakPolarHBondContact O-CB 3.2Å; T1008-F1012 PolarHBondContact O-N 3.04Å; S1009-F1012 PolarHBondContact O-N 3.06Å; S1010-F1012 VanDerWaalsContact C-N 3.34Å; S1010-F1012 PolarHBondContact O-N 3.14Å; F1012-S1014 VanDerWaalsContact C-N 3.34Å; F1012-S1014 PolarHBondContact O-N 2.93Å; F1012-E1015 PolarHBondContact O-N 3.38Å; F1012-I1016 HydrophobicContact CD1-CG1 4.26Å; F1012-I1016 HydrophobicContact CE1-CD1 4.22Å; F1012-I1016 HydrophobicContact CE1-CG1 3.7Å; F1012-I1016 HydrophobicContact CE2-CD1 4.05Å; F1012-I1016 HydrophobicContact CE2-CG1 4.02Å; F1012-I1016 HydrophobicContact CZ-CD1 3.61Å; F1012-I1016 HydrophobicContact CZ-CG1 3.57Å; F1012-I1016 WeakPolarHBondContact O-CG1 3.26Å; F1012-I1016 PolarHBondContact O-N 3.45Å
1013A86.2Confident81.6Confident0 Ų067 Ų670%032%0.32CS..Hα-helixtrans-59.7-43.8172.500000111.9P809 L812 L855 S1009 S1010 I1016 V1017P809-A1013 WeakPolarHBondContact O-CB 3.18Å; L812-A1013 HydrophobicContact CB-CB 4.33Å; L812-A1013 HydrophobicContact CD2-CB 4.24Å; L812-A1013 HydrophobicContact CG-CB 4.24Å; L855-A1013 HydrophobicContact CD2-CB 4.23Å; S1009-A1013 PolarHBondContact O-N 3.46Å; S1010-A1013 WeakPolarHBondContact O-CB 3.23Å; S1010-A1013 PolarHBondContact O-N 3.26Å; A1013-I1016 PolarHBondContact O-N 3.14Å; A1013-V1017 WeakPolarHBondContact O-CG2 3.5Å; A1013-V1017 PolarHBondContact O-N 2.78Å; A1013-V1017 VanDerWaalsContact O-N 3.09Å
1014S86Confident83Confident40 Ų4061.5 Ų61.528%0.2829%0.294SS..Hα-helixtrans-61.6-43.7174.8-49.90000112.4S1010 R1011 F1012 I1016 V1017 I1018S1010-S1014 PolarHBondContact O-N 3.24Å; S1010-S1014 PolarHBondContact O-OG 2.76Å; S1010-S1014 VanDerWaalsContact O-OG 3.09Å; R1011-S1014 WeakPolarHBondContact O-CB 3.21Å; R1011-S1014 PolarHBondContact O-N 3.05Å; F1012-S1014 VanDerWaalsContact C-N 3.34Å; F1012-S1014 PolarHBondContact O-N 2.93Å; S1014-I1016 VanDerWaalsContact C-N 3.34Å; S1014-I1016 PolarHBondContact O-N 3.44Å; S1014-V1017 PolarHBondContact O-N 3.06Å; S1014-I1018 WeakPolarHBondContact O-CG1 3.22Å; S1014-I1018 PolarHBondContact O-N 3.11Å
1015E85.6Confident84.1Confident109 Ų10959.8 Ų59.851%0.50929%0.286SS..Hα-helixtrans-62.9-38.8178.7-170.3174.4-17000112R1011 F1012 I1018 Q1019R1011-E1015 PolarHBondContact O-N 2.79Å; F1012-E1015 PolarHBondContact O-N 3.38Å; E1015-I1018 PolarHBondContact O-N 3.28Å; E1015-Q1019 WeakPolarHBondContact O-CG 3.37Å; E1015-Q1019 PolarHBondContact O-N 3.5Å
1016I86.1Confident84.5Confident0 Ų056.6 Ų56.60%027%0.268CS..Hα-helixtrans-65.7-42.4174.3-68.4-65.4000111.9C819 L995 F1012 A1013 S1014 I1018 Q1019 C1020C819-I1016 HydrophobicContact CB-CG1 4.34Å; C819-I1016 HydrophobicContact CB-CG2 4.25Å; L995-I1016 HydrophobicContact CD1-CD1 3.81Å; L995-I1016 HydrophobicContact CD2-CD1 3.8Å; L995-I1016 HydrophobicContact CG-CD1 3.87Å; F1012-I1016 HydrophobicContact CD1-CG1 4.26Å; F1012-I1016 HydrophobicContact CE1-CD1 4.22Å; F1012-I1016 HydrophobicContact CE1-CG1 3.7Å; F1012-I1016 HydrophobicContact CE2-CD1 4.05Å; F1012-I1016 HydrophobicContact CE2-CG1 4.02Å; F1012-I1016 HydrophobicContact CZ-CD1 3.61Å; F1012-I1016 HydrophobicContact CZ-CG1 3.57Å; F1012-I1016 WeakPolarHBondContact O-CG1 3.26Å; F1012-I1016 PolarHBondContact O-N 3.45Å; A1013-I1016 PolarHBondContact O-N 3.14Å; S1014-I1016 VanDerWaalsContact C-N 3.34Å; S1014-I1016 PolarHBondContact O-N 3.44Å; I1016-I1018 VanDerWaalsContact C-N 3.31Å; I1016-I1018 PolarHBondContact O-N 3.33Å; I1016-Q1019 PolarHBondContact O-N 3.31Å; I1016-Q1019 VanDerWaalsContact O-N 3.15Å; I1016-C1020 PolarHBondContact O-N 2.82Å; I1016-C1020 VanDerWaalsContact O-N 3.12Å; I1016-C1020 PolarHBondContact O-SG 3.19Å
1017V87.5Confident84.6Confident0 Ų055.6 Ų55.60%026%0.263CS..Hα-helixtrans-64.1-37.6177.3174.50000111.4L822 L850 L855 L856 A1013 S1014 C1020 I1022L822-V1017 HydrophobicContact CD2-CG2 3.99Å; L850-V1017 HydrophobicContact CD1-CG1 4.23Å; L850-V1017 HydrophobicContact CD1-CG2 4.11Å; L850-V1017 HydrophobicContact CD2-CG2 3.88Å; L855-V1017 HydrophobicContact CB-CG2 4.38Å; L855-V1017 VanDerWaalsContact O-CG1 3.32Å; L855-V1017 WeakPolarHBondContact O-CG1 3.3Å; L856-V1017 HydrophobicContact CD2-CG1 4.48Å; A1013-V1017 WeakPolarHBondContact O-CG2 3.5Å; A1013-V1017 PolarHBondContact O-N 2.78Å; A1013-V1017 VanDerWaalsContact O-N 3.09Å; S1014-V1017 PolarHBondContact O-N 3.06Å; V1017-C1020 WeakPolarHBondContact O-CB 3.36Å; V1017-C1020 PolarHBondContact O-N 3.42Å; V1017-I1022 HydrophobicContact CG1-CD1 3.9Å
1018I85.6Confident84.9Confident107 Ų10751.9 Ų51.955%0.54925%0.248SC..Hα-helixtrans-64.4-41172.4-67.1163.9000111.1S1014 E1015 I1016 C1020 R1021S1014-I1018 WeakPolarHBondContact O-CG1 3.22Å; S1014-I1018 PolarHBondContact O-N 3.11Å; E1015-I1018 PolarHBondContact O-N 3.28Å; I1016-I1018 VanDerWaalsContact C-N 3.31Å; I1016-I1018 PolarHBondContact O-N 3.33Å; I1018-C1020 PolarHBondContact O-N 3.28Å; I1018-R1021 PolarHBondContact O-N 3.05Å
1019Q85.7Confident85.1Confident81 Ų8149.1 Ų49.138%0.37923%0.231SC..Hα-helixtrans-64.9-20176-72.5177.12600113.7Y823 E1015 I1016 R1021Y823-Q1019 HydrophobicContact CD2-CB 4.4Å; Y823-Q1019 HydrophobicContact CE2-CB 4.34Å; E1015-Q1019 WeakPolarHBondContact O-CG 3.37Å; E1015-Q1019 PolarHBondContact O-N 3.5Å; I1016-Q1019 PolarHBondContact O-N 3.31Å; I1016-Q1019 VanDerWaalsContact O-N 3.15Å; Q1019-R1021 VanDerWaalsContact C-N 3.3Å; Q1019-R1021 PolarHBondContact O-N 3.45Å
1020C87.2Confident85.3Confident5 Ų552.8 Ų52.83%0.03425%0.247CC..THydrogen-bonded Turntrans-73.1-15.4177.2-64.40000114.4F826 I1016 V1017 I1018 I1022F826-C1020 HydrophobicContact CB-CB 3.87Å; F826-C1020 HydrophobicContact CD2-CB 4.18Å; F826-C1020 HydrophobicContact CG-CB 4.16Å; I1016-C1020 PolarHBondContact O-N 2.82Å; I1016-C1020 VanDerWaalsContact O-N 3.12Å; I1016-C1020 PolarHBondContact O-SG 3.19Å; V1017-C1020 WeakPolarHBondContact O-CB 3.36Å; V1017-C1020 PolarHBondContact O-N 3.42Å; I1018-C1020 PolarHBondContact O-N 3.28Å; C1020-I1022 HydrophobicContact CB-CD1 4.37Å; C1020-I1022 HydrophobicContact CB-CG1 3.93Å; C1020-I1022 PolarHBondContact O-N 2.81Å
1021R85.9Confident85.4Confident161 Ų16158 Ų5861%0.60827%0.265SS*.THydrogen-bonded Turntrans46.851.5-179.4-64.9-170.6174.4-157.3-2.2114.5I1018 Q1019 D1023 Q1024 L1025I1018-R1021 PolarHBondContact O-N 3.05Å; Q1019-R1021 VanDerWaalsContact C-N 3.3Å; Q1019-R1021 PolarHBondContact O-N 3.45Å; R1021-D1023 WeakPolarHBondContact CA-OD1 3.37Å; R1021-D1023 PolarHBondContact O-N 3.39Å; R1021-Q1024 HydrophobicContact CB-CB 4.01Å; R1021-Q1024 WeakPolarHBondContact O-CB 3.3Å; R1021-Q1024 PolarHBondContact O-N 3.39Å; R1021-Q1024 VanDerWaalsContact O-N 3.08Å; R1021-L1025 PolarHBondContact O-N 3.16Å
1022I87.6Confident85.6Confident1 Ų150.8 Ų50.81%0.00524%0.239CC..Hα-helixtrans-63.6-32.7-178-57.4170.9000111F826 L847 L850 L856 L860 V1017 C1020 L1025 I1026F826-I1022 HydrophobicContact CD1-CG1 4.02Å; F826-I1022 HydrophobicContact CD2-CG1 4.43Å; F826-I1022 HydrophobicContact CE1-CD1 4.45Å; F826-I1022 HydrophobicContact CE1-CG1 4.06Å; F826-I1022 HydrophobicContact CE1-CG2 4.28Å; F826-I1022 HydrophobicContact CE2-CD1 4.22Å; F826-I1022 HydrophobicContact CE2-CG1 4.46Å; F826-I1022 HydrophobicContact CG-CG1 4.23Å; F826-I1022 HydrophobicContact CZ-CD1 4.2Å; F826-I1022 HydrophobicContact CZ-CG1 4.29Å; L847-I1022 HydrophobicContact CD1-CG2 4.45Å; L847-I1022 HydrophobicContact CD2-CD1 3.85Å; L847-I1022 HydrophobicContact CD2-CG1 4.45Å; L847-I1022 HydrophobicContact CD2-CG2 3.47Å; L847-I1022 VanDerWaalsContact CD2-CG2 3.47Å; L850-I1022 HydrophobicContact CD1-CD1 4.17Å; L856-I1022 HydrophobicContact CD2-CD1 4.03Å; L860-I1022 HydrophobicContact CD1-CB 3.97Å; L860-I1022 HydrophobicContact CD1-CG2 3.54Å; V1017-I1022 HydrophobicContact CG1-CD1 3.9Å; C1020-I1022 HydrophobicContact CB-CD1 4.37Å; C1020-I1022 HydrophobicContact CB-CG1 3.93Å; C1020-I1022 PolarHBondContact O-N 2.81Å; I1022-L1025 WeakPolarHBondContact O-CB 3.39Å; I1022-L1025 PolarHBondContact O-N 2.98Å; I1022-I1026 PolarHBondContact O-N 2.92Å
1023D82.5Confident85.9Confident56 Ų5653.1 Ų53.130%0.29926%0.255SS..Hα-helixtrans-53.8-47.7168.857.2-55.9000112.6R1021 L1025 I1026 E1027R1021-D1023 WeakPolarHBondContact CA-OD1 3.37Å; R1021-D1023 PolarHBondContact O-N 3.39Å; D1023-L1025 VanDerWaalsContact C-N 3.34Å; D1023-L1025 PolarHBondContact O-N 3.32Å; D1023-I1026 PolarHBondContact O-N 3.47Å; D1023-I1026 VanDerWaalsContact O-N 3.13Å; D1023-E1027 PolarHBondContact O-N 3.48Å
1024Q84.5Confident85.8Confident67 Ų6757.1 Ų57.131%0.31328%0.276SS..Hα-helixtrans-63.1-38.7179.9-171.466.862.800111.9R1021 I1026 E1027 D1028R1021-Q1024 HydrophobicContact CB-CB 4.01Å; R1021-Q1024 WeakPolarHBondContact O-CB 3.3Å; R1021-Q1024 PolarHBondContact O-N 3.39Å; R1021-Q1024 VanDerWaalsContact O-N 3.08Å; Q1024-I1026 PolarHBondContact O-N 2.95Å; Q1024-E1027 PolarHBondContact O-N 2.92Å; Q1024-D1028 WeakPolarHBondContact CG-OD2 3.41Å; Q1024-D1028 VanDerWaalsContact NE2-CG 3.28Å; Q1024-D1028 PolarHBondContact NE2-OD1 3.08Å; Q1024-D1028 PolarHBondContact NE2-OD2 3.36Å; Q1024-D1028 WeakPolarHBondContact O-CB 3.23Å; Q1024-D1028 PolarHBondContact O-N 3.48Å
1025L85.6Confident85.8Confident13 Ų1357.4 Ų57.47%0.06828%0.281CS..Hα-helixtrans-59.8-33.5176.1-178.364.6000112.3F826 A833 W840 R1021 I1022 D1023F826-L1025 HydrophobicContact CD1-CD2 3.98Å; F826-L1025 HydrophobicContact CE1-CD2 4.19Å; A833-L1025 HydrophobicContact CB-CD1 4.04Å; W840-L1025 HydrophobicContact CH2-CD1 4.03Å; W840-L1025 HydrophobicContact CH2-CG 4.31Å; W840-L1025 HydrophobicContact CZ3-CD1 4.43Å; W840-L1025 HydrophobicContact CZ3-CD2 4.12Å; W840-L1025 HydrophobicContact CZ3-CG 4.34Å; R1021-L1025 PolarHBondContact O-N 3.16Å; I1022-L1025 WeakPolarHBondContact O-CB 3.39Å; I1022-L1025 PolarHBondContact O-N 2.98Å; D1023-L1025 VanDerWaalsContact C-N 3.34Å; D1023-L1025 PolarHBondContact O-N 3.32Å
1026I84.3Confident85.9Confident17 Ų1752.2 Ų52.29%0.08726%0.257CS..Hα-helixtrans-81.8-38.1176.3-55.5-60.9000111.2L860 I1022 D1023 Q1024 D1028 S1029 L1179 R1182 V1183L860-I1026 HydrophobicContact CD2-CG1 4.35Å; I1022-I1026 PolarHBondContact O-N 2.92Å; D1023-I1026 PolarHBondContact O-N 3.47Å; D1023-I1026 VanDerWaalsContact O-N 3.13Å; Q1024-I1026 PolarHBondContact O-N 2.95Å; I1026-D1028 VanDerWaalsContact C-N 3.26Å; I1026-D1028 PolarHBondContact O-N 2.93Å; I1026-S1029 VanDerWaalsContact O-CB 3.27Å; I1026-S1029 WeakPolarHBondContact O-CB 3.35Å; I1026-S1029 PolarHBondContact O-N 3.32Å; I1026-S1029 PolarHBondContact O-OG 3.29Å; I1026-L1179 HydrophobicContact CD1-CD1 3.71Å; I1026-L1179 HydrophobicContact CD1-CG 4.31Å; I1026-L1179 HydrophobicContact CG1-CD1 3.83Å; I1026-L1179 HydrophobicContact CG2-CD1 4.19Å; I1026-R1182 HydrophobicContact CG2-CB 4.5Å; I1026-V1183 HydrophobicContact CG2-CG2 4.11Å
1027E83.9Confident86.1Confident94 Ų9452.2 Ų52.244%0.43926%0.257SS..Hα-helixtrans-59.4-35.3171.9-80.5-115.3178.600112.6D1023 Q1024 S1029 K1030 R1186D1023-E1027 PolarHBondContact O-N 3.48Å; Q1024-E1027 PolarHBondContact O-N 2.92Å; E1027-S1029 VanDerWaalsContact C-N 3.35Å; E1027-K1030 WeakPolarHBondContact O-CE 3.24Å; E1027-R1186 PolarHBondContact O-NE 2.87Å; E1027-R1186 PolarHBondContact O-NH2 3.04Å; E1027-R1186 IonicContact OE2-CZ 2.75Å; E1027-R1186 IonicContact OE2-NH1 3.49Å; E1027-R1186 PolarHBondContact OE2-NH1 3.45Å; E1027-R1186 VanDerWaalsContact OE2-NH1 3.11Å; E1027-R1186 IonicContact OE2-NH2 3.99Å; E1027-R1186 PolarHBondContact OE2-NH2 2.86Å
1028D85Confident86.1Confident48 Ų4853.9 Ų53.926%0.25727%0.267SS..G310 helixtrans-89.82.7-179.1-67.7-31.1000113.7Q1024 I1026 K1030 F1031Q1024-D1028 WeakPolarHBondContact CG-OD2 3.41Å; Q1024-D1028 VanDerWaalsContact NE2-CG 3.28Å; Q1024-D1028 PolarHBondContact NE2-OD1 3.08Å; Q1024-D1028 PolarHBondContact NE2-OD2 3.36Å; Q1024-D1028 WeakPolarHBondContact O-CB 3.23Å; Q1024-D1028 PolarHBondContact O-N 3.48Å; I1026-D1028 VanDerWaalsContact C-N 3.26Å; I1026-D1028 PolarHBondContact O-N 2.93Å; D1028-K1030 PolarHBondContact O-N 3.45Å; D1028-F1031 HydrophobicContact CB-CD2 4.07Å; D1028-F1031 WeakPolarHBondContact O-CB 3.42Å; D1028-F1031 PolarHBondContact O-N 3.24Å; D1028-F1031 WeakPolarHBondContact OD1-CE2 3.37Å
1029S87.6Confident86.2Confident0 Ų050.5 Ų50.50%025%0.249CC..G310 helixtrans-53.9-27.3172.962.70000113.9I1026 E1027 F1031 L1032 N1187 R1190I1026-S1029 VanDerWaalsContact O-CB 3.27Å; I1026-S1029 WeakPolarHBondContact O-CB 3.35Å; I1026-S1029 PolarHBondContact O-N 3.32Å; I1026-S1029 PolarHBondContact O-OG 3.29Å; E1027-S1029 VanDerWaalsContact C-N 3.35Å; S1029-F1031 PolarHBondContact O-N 3.24Å; S1029-L1032 WeakPolarHBondContact O-CB 3.45Å; S1029-L1032 WeakPolarHBondContact O-CG 3.28Å; S1029-L1032 PolarHBondContact O-N 3.1Å; S1029-N1187 PolarHBondContact O-OD1 2.92Å; S1029-N1187 PolarHBondContact OG-ND2 2.81Å; S1029-R1190 PolarHBondContact O-NH2 2.9Å
1030K85.2Confident86.4Confident78 Ų7846.9 Ų46.934%0.33923%0.232SC..G310 helixtrans-61.2-23.7171.661.2178.1174.4-178.50114.9E1027 D1028 R1186 N1187 R1190E1027-K1030 WeakPolarHBondContact O-CE 3.24Å; D1028-K1030 PolarHBondContact O-N 3.45Å; K1030-R1186 HydrophobicContact CB-CG 4.26Å; K1030-R1186 VanDerWaalsContact CE-NH2 3.3Å; K1030-N1187 WeakPolarHBondContact CA-OD1 3.48Å; K1030-R1190 PolarHBondContact O-NH2 3.12Å
1031F86.6Confident86.5Confident149 Ų14946.8 Ų46.865%0.65423%0.231SC*.G310 helixtrans-97.4-6.8-177.9-60.5-49.1000112.8D1028 S1029D1028-F1031 HydrophobicContact CB-CD2 4.07Å; D1028-F1031 WeakPolarHBondContact O-CB 3.42Å; D1028-F1031 PolarHBondContact O-N 3.24Å; D1028-F1031 WeakPolarHBondContact OD1-CE2 3.37Å; S1029-F1031 PolarHBondContact O-N 3.24Å
1032L86.9Confident86.4Confident12 Ų1243.2 Ų43.26%0.06322%0.22CC..SBendtrans-66.5139176.6-58.9177.8000110.9A833 W840 S1029 L1037 L1040 R1190A833-L1032 VanDerWaalsContact C-CD2 3.49Å; A833-L1032 HydrophobicContact CB-CD2 3.48Å; A833-L1032 VanDerWaalsContact CB-CD2 3.48Å; W840-L1032 HydrophobicContact CH2-CD1 4.4Å; W840-L1032 HydrophobicContact CZ2-CD1 3.87Å; W840-L1032 HydrophobicContact CZ2-CD2 4.43Å; S1029-L1032 WeakPolarHBondContact O-CB 3.45Å; S1029-L1032 WeakPolarHBondContact O-CG 3.28Å; S1029-L1032 PolarHBondContact O-N 3.1Å; L1032-L1037 HydrophobicContact CB-CB 4.49Å; L1032-L1040 HydrophobicContact CD1-CD2 4.04Å; L1032-R1190 VanDerWaalsContact O-CZ 3.29Å; L1032-R1190 PolarHBondContact O-NH1 3.32Å; L1032-R1190 PolarHBondContact O-NH2 3.09Å
1033V87.7Confident86.3Confident78 Ų7843.2 Ų43.247%0.47322%0.22SC..  trans-58.6147.2168.6-155.80000109.8D834 A1035 S1036 L1037D834-V1033 HydrophobicContact CB-CG2 4.07Å; V1033-A1035 PolarHBondContact O-N 3.14Å; V1033-S1036 PolarHBondContact O-N 3.46Å; V1033-L1037 PolarHBondContact O-N 3.06Å; V1033-L1037 VanDerWaalsContact O-N 3.14Å
1034D85.4Confident86.5Confident83 Ų8340.6 Ų40.644%0.44421%0.206SC..Hα-helixtrans-50.5-37.3-175.9-60.1-36.1000113.2S1036 L1037 T1038 R1190D1034-S1036 PolarHBondContact O-N 3.43Å; D1034-L1037 PolarHBondContact O-N 3.1Å; D1034-T1038 WeakPolarHBondContact O-CB 3.42Å; D1034-T1038 PolarHBondContact O-N 3.29Å; D1034-T1038 PolarHBondContact O-OG1 3.38Å; D1034-R1190 VanDerWaalsContact OD1-CD 3.29Å; D1034-R1190 WeakPolarHBondContact OD1-CD 3.34Å; D1034-R1190 IonicContact OD1-CZ 2.66Å; D1034-R1190 IonicContact OD1-NE 3.71Å; D1034-R1190 IonicContact OD1-NH1 3.66Å; D1034-R1190 PolarHBondContact OD1-NH1 2.93Å
1035A85Confident86.5Confident46 Ų4637.5 Ų37.538%0.3819%0.192SC..Hα-helixtrans-64.5-35176.900000113.9V1033 E1039V1033-A1035 PolarHBondContact O-N 3.14Å; A1035-E1039 PolarHBondContact O-N 2.84Å
1036S88Confident86.3Confident0 Ų040 Ų400%021%0.209CC..Hα-helixtrans-73.1-46.1173.3-178.90000111.2A833 L836 R837 W840 V1033 D1034 T1038 E1039 L1040A833-S1036 WeakPolarHBondContact O-CB 3.28Å; A833-S1036 PolarHBondContact O-OG 3.48Å; L836-S1036 PolarHBondContact O-OG 2.97Å; R837-S1036 VanDerWaalsContact NH1-CB 3.31Å; W840-S1036 PolarHBondContact NE1-OG 3.17Å; V1033-S1036 PolarHBondContact O-N 3.46Å; D1034-S1036 PolarHBondContact O-N 3.43Å; S1036-T1038 PolarHBondContact O-N 3.26Å; S1036-E1039 PolarHBondContact O-N 3.11Å; S1036-L1040 PolarHBondContact O-N 3.25Å
1037L89.8Confident86.1Confident0 Ų040.5 Ų40.50%022%0.217CC..Hα-helixtrans-59.2-38.3178.3-178.866.6000111.3L1032 V1033 D1034 L1040 I1041 V1183 N1187 F1194L1032-L1037 HydrophobicContact CB-CB 4.49Å; V1033-L1037 PolarHBondContact O-N 3.06Å; V1033-L1037 VanDerWaalsContact O-N 3.14Å; D1034-L1037 PolarHBondContact O-N 3.1Å; L1037-L1040 PolarHBondContact O-N 2.99Å; L1037-I1041 HydrophobicContact CD1-CD1 4.02Å; L1037-I1041 HydrophobicContact CD1-CG1 4.22Å; L1037-I1041 HydrophobicContact CD2-CD1 4.28Å; L1037-I1041 HydrophobicContact CG-CD1 3.78Å; L1037-I1041 HydrophobicContact CG-CG1 4.34Å; L1037-I1041 WeakPolarHBondContact O-CB 3.21Å; L1037-I1041 VanDerWaalsContact O-CG1 3.3Å; L1037-I1041 WeakPolarHBondContact O-CG1 3.37Å; L1037-I1041 PolarHBondContact O-N 3.32Å; L1037-V1183 HydrophobicContact CD1-CG1 3.68Å; L1037-N1187 HydrophobicContact CD2-CB 4.08Å; L1037-N1187 WeakPolarHBondContact CD2-OD1 3.35Å; L1037-F1194 HydrophobicContact CD2-CD2 4.26Å; L1037-F1194 HydrophobicContact CD2-CE2 3.51Å; L1037-F1194 HydrophobicContact CD2-CZ 3.99Å; L1037-F1194 HydrophobicContact CG-CE2 4.27Å; L1037-F1194 HydrophobicContact CG-CZ 4.45Å
1038T88.1Confident86Confident35 Ų3536 Ų3622%0.21520%0.196CC..Hα-helixtrans-58.6-49.1176.4-58.60000111.6D1034 S1036 I1041 K1042 F1194D1034-T1038 WeakPolarHBondContact O-CB 3.42Å; D1034-T1038 PolarHBondContact O-N 3.29Å; D1034-T1038 PolarHBondContact O-OG1 3.38Å; S1036-T1038 PolarHBondContact O-N 3.26Å; T1038-I1041 PolarHBondContact O-N 3.45Å; T1038-K1042 HydrophobicContact CG2-CD 4.1Å; T1038-K1042 VanDerWaalsContact O-CG 3.31Å; T1038-K1042 WeakPolarHBondContact O-CG 3.37Å; T1038-K1042 PolarHBondContact O-N 3.25Å; T1038-F1194 WeakPolarHBondContact OG1-CE1 3.35Å
1039E87.4Confident85.5Confident37 Ų3737 Ų3717%0.17320%0.196CC..Hα-helixtrans-71.1-35.5179.5-57-37114.800112.3R837 A1035 S1036 K1042 A1043R837-E1039 HydrophobicContact CB-CG 4.14Å; A1035-E1039 PolarHBondContact O-N 2.84Å; S1036-E1039 PolarHBondContact O-N 3.11Å; E1039-K1042 PolarHBondContact O-N 2.98Å; E1039-K1042 IonicContact OE1-NZ 3.73Å; E1039-K1042 PolarHBondContact OE1-NZ 2.88Å; E1039-K1042 WeakPolarHBondContact OE2-CD 3.32Å; E1039-K1042 IonicContact OE2-NZ 2.9Å; E1039-K1042 PolarHBondContact OE2-NZ 3.49Å; E1039-A1043 VanDerWaalsContact O-CB 3.3Å; E1039-A1043 WeakPolarHBondContact O-CB 3.42Å; E1039-A1043 PolarHBondContact O-N 3.32Å
1040L90.3Very high84.3Confident4 Ų437.8 Ų37.82%0.02120%0.204CC..Hα-helixtrans-59.8-46.1171.3174.857.9000111.7W840 L1032 S1036 L1037 A1043 L1044 V1183W840-L1040 HydrophobicContact CD2-CB 4.12Å; W840-L1040 HydrophobicContact CD2-CD1 3.95Å; W840-L1040 HydrophobicContact CD2-CG 4.47Å; W840-L1040 HydrophobicContact CE3-CD1 3.78Å; W840-L1040 HydrophobicContact CG-CB 4.17Å; W840-L1040 HydrophobicContact CG-CD1 4.38Å; W840-L1040 HydrophobicContact CH2-CD2 4.21Å; W840-L1040 HydrophobicContact CZ2-CD2 4.21Å; W840-L1040 HydrophobicContact CZ3-CD1 4.16Å; W840-L1040 HydrophobicContact CZ3-CD2 4.48Å; L1032-L1040 HydrophobicContact CD1-CD2 4.04Å; S1036-L1040 PolarHBondContact O-N 3.25Å; L1037-L1040 PolarHBondContact O-N 2.99Å; L1040-A1043 PolarHBondContact O-N 3.13Å; L1040-L1044 HydrophobicContact CD1-CD1 3.87Å; L1040-L1044 HydrophobicContact CD1-CG 4.24Å; L1040-L1044 HydrophobicContact CG-CD1 4.02Å; L1040-L1044 WeakPolarHBondContact O-CB 3.45Å; L1040-L1044 WeakPolarHBondContact O-CD1 3.39Å; L1040-L1044 VanDerWaalsContact O-CG 3.31Å; L1040-L1044 WeakPolarHBondContact O-CG 3.2Å; L1040-L1044 PolarHBondContact O-N 2.98Å; L1040-V1183 HydrophobicContact CD2-CG1 4.35Å; L1040-V1183 HydrophobicContact CD2-CG2 4.37Å
1041I89Confident82.6Confident3 Ų337.2 Ų37.22%0.01521%0.205CC..Hα-helixtrans-63.7-45.4176.9-71.8171.9000110.7L1037 T1038 A1043 L1044 L1045 L1180 V1183 L1184 F1194 V1198L1037-I1041 HydrophobicContact CD1-CD1 4.02Å; L1037-I1041 HydrophobicContact CD1-CG1 4.22Å; L1037-I1041 HydrophobicContact CD2-CD1 4.28Å; L1037-I1041 HydrophobicContact CG-CD1 3.78Å; L1037-I1041 HydrophobicContact CG-CG1 4.34Å; L1037-I1041 WeakPolarHBondContact O-CB 3.21Å; L1037-I1041 VanDerWaalsContact O-CG1 3.3Å; L1037-I1041 WeakPolarHBondContact O-CG1 3.37Å; L1037-I1041 PolarHBondContact O-N 3.32Å; T1038-I1041 PolarHBondContact O-N 3.45Å; I1041-A1043 PolarHBondContact O-N 3.3Å; I1041-L1044 PolarHBondContact O-N 2.98Å; I1041-L1045 HydrophobicContact CG2-CD1 3.87Å; I1041-L1045 HydrophobicContact CG2-CG 4.31Å; I1041-L1045 WeakPolarHBondContact O-CB 3.43Å; I1041-L1045 VanDerWaalsContact O-CG 3.27Å; I1041-L1045 WeakPolarHBondContact O-CG 3.34Å; I1041-L1045 PolarHBondContact O-N 3.35Å; I1041-L1180 HydrophobicContact CG2-CD1 4.26Å; I1041-V1183 HydrophobicContact CG1-CG1 4.41Å; I1041-L1184 HydrophobicContact CD1-CD2 4.05Å; I1041-F1194 HydrophobicContact CD1-CB 4.1Å; I1041-F1194 HydrophobicContact CD1-CD1 4.39Å; I1041-F1194 HydrophobicContact CD1-CD2 3.82Å; I1041-F1194 HydrophobicContact CD1-CE2 4.41Å; I1041-F1194 HydrophobicContact CD1-CG 3.81Å; I1041-V1198 HydrophobicContact CG2-CG2 4.02Å
1042K84.7Confident80.4Confident86 Ų8635.2 Ų35.237%0.37421%0.209SC..Hα-helixtrans-59.2-44.9175.7-75.5162.7169.5174.90112.5T1038 E1039 L1045 C1046 L1197T1038-K1042 HydrophobicContact CG2-CD 4.1Å; T1038-K1042 VanDerWaalsContact O-CG 3.31Å; T1038-K1042 WeakPolarHBondContact O-CG 3.37Å; T1038-K1042 PolarHBondContact O-N 3.25Å; E1039-K1042 PolarHBondContact O-N 2.98Å; E1039-K1042 IonicContact OE1-NZ 3.73Å; E1039-K1042 PolarHBondContact OE1-NZ 2.88Å; E1039-K1042 WeakPolarHBondContact OE2-CD 3.32Å; E1039-K1042 IonicContact OE2-NZ 2.9Å; E1039-K1042 PolarHBondContact OE2-NZ 3.49Å; K1042-L1045 PolarHBondContact O-N 2.82Å; K1042-C1046 WeakPolarHBondContact O-CB 3.46Å; K1042-C1046 PolarHBondContact O-N 3.32Å; K1042-L1197 HydrophobicContact CG-CD2 4.44Å
1043A84.1Confident78Confident2 Ų243.3 Ų43.32%0.01724%0.24CC..Hα-helixtrans-65.3-41.1-179.600000111.5W840 L844 E1039 L1040 I1041 C1046 A1047W840-A1043 HydrophobicContact CB-CB 4.37Å; L844-A1043 HydrophobicContact CD1-CB 3.53Å; E1039-A1043 VanDerWaalsContact O-CB 3.3Å; E1039-A1043 WeakPolarHBondContact O-CB 3.42Å; E1039-A1043 PolarHBondContact O-N 3.32Å; L1040-A1043 PolarHBondContact O-N 3.13Å; I1041-A1043 PolarHBondContact O-N 3.3Å; A1043-C1046 PolarHBondContact O-N 2.9Å; A1043-A1047 WeakPolarHBondContact O-CB 3.49Å; A1043-A1047 PolarHBondContact O-N 2.91Å
1044L87.9Confident75.2Confident0 Ų045.2 Ų45.20%025%0.252CS..Hα-helixtrans-62.1-47.1172-75.1164.8000112.3L844 L1040 I1041 C1046 A1047 T1048 L1179 L1180 V1183L844-L1044 HydrophobicContact CD1-CD2 4.16Å; L844-L1044 HydrophobicContact CD1-CG 4.05Å; L844-L1044 HydrophobicContact CD2-CD2 3.58Å; L844-L1044 HydrophobicContact CD2-CG 4.26Å; L1040-L1044 HydrophobicContact CD1-CD1 3.87Å; L1040-L1044 HydrophobicContact CD1-CG 4.24Å; L1040-L1044 HydrophobicContact CG-CD1 4.02Å; L1040-L1044 WeakPolarHBondContact O-CB 3.45Å; L1040-L1044 WeakPolarHBondContact O-CD1 3.39Å; L1040-L1044 VanDerWaalsContact O-CG 3.31Å; L1040-L1044 WeakPolarHBondContact O-CG 3.2Å; L1040-L1044 PolarHBondContact O-N 2.98Å; I1041-L1044 PolarHBondContact O-N 2.98Å; L1044-C1046 VanDerWaalsContact C-N 3.34Å; L1044-C1046 PolarHBondContact O-N 3.21Å; L1044-A1047 PolarHBondContact O-N 3.49Å; L1044-T1048 WeakPolarHBondContact O-CG2 3.13Å; L1044-T1048 PolarHBondContact O-N 3.31Å; L1044-L1179 HydrophobicContact CD2-CB 3.98Å; L1044-L1179 HydrophobicContact CD2-CD2 3.89Å; L1044-L1179 HydrophobicContact CD2-CG 3.95Å; L1044-L1180 HydrophobicContact CB-CB 4.23Å; L1044-L1180 HydrophobicContact CB-CD1 4.11Å; L1044-L1180 HydrophobicContact CD1-CB 4.44Å; L1044-L1180 HydrophobicContact CD1-CD1 4.33Å; L1044-V1183 HydrophobicContact CD1-CG2 4.14Å
1045L84.7Confident72.5Confident2 Ų249.3 Ų49.31%0.0127%0.27CS..Hα-helixtrans-58.4-44.9176.4-73.6171.9000111.5I1041 K1042 A1047 T1048 R1049 L1180 L1197 V1198 Y1201I1041-L1045 HydrophobicContact CG2-CD1 3.87Å; I1041-L1045 HydrophobicContact CG2-CG 4.31Å; I1041-L1045 WeakPolarHBondContact O-CB 3.43Å; I1041-L1045 VanDerWaalsContact O-CG 3.27Å; I1041-L1045 WeakPolarHBondContact O-CG 3.34Å; I1041-L1045 PolarHBondContact O-N 3.35Å; K1042-L1045 PolarHBondContact O-N 2.82Å; L1045-A1047 PolarHBondContact O-N 2.83Å; L1045-T1048 PolarHBondContact O-N 3.27Å; L1045-T1048 PolarHBondContact O-OG1 2.88Å; L1045-R1049 PolarHBondContact O-N 3.45Å; L1045-L1180 HydrophobicContact CD2-CD2 3.59Å; L1045-L1180 HydrophobicContact CG-CD2 4.26Å; L1045-L1197 HydrophobicContact CD1-CD2 4.07Å; L1045-L1197 HydrophobicContact CD1-CG 3.94Å; L1045-V1198 HydrophobicContact CD1-CG2 4.36Å; L1045-Y1201 HydrophobicContact CB-CD1 4.19Å; L1045-Y1201 HydrophobicContact CB-CE1 4.45Å; L1045-Y1201 HydrophobicContact CB-CG 4.49Å; L1045-Y1201 HydrophobicContact CD1-CD2 4.49Å; L1045-Y1201 HydrophobicContact CD2-CG 4.18Å
1046C81.1Confident69.9Low65 Ų6553.9 Ų53.944%0.43929%0.288SS..Hα-helixtrans-57.1-47.8174.7-164.30000111.6K1042 A1043 L1044 T1048 R1049 G1050K1042-C1046 WeakPolarHBondContact O-CB 3.46Å; K1042-C1046 PolarHBondContact O-N 3.32Å; A1043-C1046 PolarHBondContact O-N 2.9Å; L1044-C1046 VanDerWaalsContact C-N 3.34Å; L1044-C1046 PolarHBondContact O-N 3.21Å; C1046-T1048 VanDerWaalsContact C-N 3.31Å; C1046-T1048 PolarHBondContact O-N 2.91Å; C1046-R1049 PolarHBondContact O-N 3.49Å; C1046-R1049 VanDerWaalsContact O-N 3.15Å; C1046-G1050 PolarHBondContact O-N 3.27Å
1047A79.8Confident66.9Low29 Ų2958.2 Ų58.224%0.2432%0.318CS..Hα-helixtrans-66.8-25.3-179.900000114A1043 L1044 L1045 C1176A1043-A1047 WeakPolarHBondContact O-CB 3.49Å; A1043-A1047 PolarHBondContact O-N 2.91Å; L1044-A1047 PolarHBondContact O-N 3.49Å; L1045-A1047 PolarHBondContact O-N 2.83Å; A1047-C1176 HydrophobicContact CB-CB 4.07Å
1048T81.5Confident64Low0 Ų065.9 Ų65.90%035%0.354CS..Hα-helixtrans-75.6-33.717161.80000113.3L1044 L1045 C1046 R1173 C1176 L1177L1044-T1048 WeakPolarHBondContact O-CG2 3.13Å; L1044-T1048 PolarHBondContact O-N 3.31Å; L1045-T1048 PolarHBondContact O-N 3.27Å; L1045-T1048 PolarHBondContact O-OG1 2.88Å; C1046-T1048 VanDerWaalsContact C-N 3.31Å; C1046-T1048 PolarHBondContact O-N 2.91Å; T1048-R1173 PolarHBondContact O-NE 3.06Å; T1048-R1173 PolarHBondContact O-NH2 3.42Å; T1048-C1176 HydrophobicContact CG2-CB 3.91Å; T1048-L1177 HydrophobicContact CG2-CB 3.81Å
1049R74Confident61Low69 Ų6971 Ų7126%0.2638%0.38SS..Hα-helixtrans-74.3-49-176.2-164.4170.7-173.9137.79.6111.8L1045 C1046 D1204L1045-R1049 PolarHBondContact O-N 3.45Å; C1046-R1049 PolarHBondContact O-N 3.49Å; C1046-R1049 VanDerWaalsContact O-N 3.15Å; R1049-D1204 IonicContact CZ-OD1 3.58Å; R1049-D1204 IonicContact CZ-OD2 2.81Å; R1049-D1204 IonicContact NE-OD2 2.69Å; R1049-D1204 IonicContact NH1-OD1 3.38Å; R1049-D1204 IonicContact NH1-OD2 3.51Å; R1049-D1204 PolarHBondContact NH1-OD2 3.2Å; R1049-D1204 IonicContact NH2-OD1 3.9Å; R1049-D1204 PolarHBondContact NH2-OD1 3.44Å; R1049-D1204 IonicContact NH2-OD2 3.06Å; R1049-D1204 PolarHBondContact NH2-OD2 3.4Å
1050G62.9Low58.3Low16 Ų1677.6 Ų77.617%0.16541%0.408CS..  trans80.7155.4-17800000114.1C1046 S1052C1046-G1050 PolarHBondContact O-N 3.27Å; G1050-S1052 PolarHBondContact O-N 3.15Å
1051D50.2Low55.4Low66 Ų6684.6 Ų84.635%0.35345%0.446SS..THydrogen-bonded Turntrans-69.6-0.4-162.6-71.85000116.3Y1053 C1161D1051-Y1053 PolarHBondContact O-N 3.26Å; D1051-C1161 VanDerWaalsContact OD2-CB 3.29Å; D1051-C1161 WeakPolarHBondContact OD2-CB 3.4Å
1052S39Very low52.4Low106 Ų10690 Ų9074%0.74148%0.483SS*.THydrogen-bonded Turntrans-72.8-5.8-174.1-570000115.7G1050G1050-S1052 PolarHBondContact O-N 3.15Å
1053Y37.8Very low49.9Very low182 Ų18291.3 Ų91.371%0.71449%0.494SS*.  trans-138.492.4177.4-81.3-83.4000112.1D1051D1051-Y1053 PolarHBondContact O-N 3.26Å
1054T27.8Very low47.3Very low119 Ų11995 Ų9573%0.7352%0.52SS*.  trans-115.882.2176.5380000111.8
1055M28.7Very low44.9Very low169 Ų169100.4 Ų100.483%0.83355%0.548SS*.  trans-177.5109.4151.3-101.8-53.6124.900110.5
1056L31.6Very low42.6Very low141 Ų141105.8 Ų105.874%0.73857%0.572SS**  trans-162.3105.8152.5-109177.8000107.9
1057S25.4Very low39.9Very low92 Ų92107.2 Ų107.264%0.64358%0.582SS**  trans-116.9120.3-176.557.60000111.5
1058H27Very low37.4Very low161 Ų161112.6 Ų112.675%0.74561%0.612SS**SBendtrans69.8144.2168.8-79.6-90.2000119.3
1059N26.4Very low34.6Very low142 Ų142121.9 Ų121.976%0.75966%0.655SS**  trans61.286.3160.2-599.4000118.1
1060F31.3Very low32.3Very low176 Ų176122.1 Ų122.177%0.77268%0.679SS**  trans-138.4127.5153.4-81.7-81000110.4
1061D27.3Very low30.5Very low151 Ų151129.6 Ų129.681%0.80771%0.714SS**  trans-74.9142.1-178.7-75.5-52.9000112.6N1063D1061-N1063 VanDerWaalsContact C-N 3.26Å; D1061-N1063 PolarHBondContact O-N 3.13Å
1062S27Very low29.3Very low116 Ų116135 Ų13581%0.81174%0.737SS**THydrogen-bonded Turntrans-75.75.2-156.5-46.90000117.2
1063N31.7Very low28.7Very low113 Ų113141.3 Ų141.360%0.60475%0.746SS**THydrogen-bonded Turntrans-120.1-7.4-169.4-76.9-12.1000115.7D1061 I1065D1061-N1063 VanDerWaalsContact C-N 3.26Å; D1061-N1063 PolarHBondContact O-N 3.13Å; N1063-I1065 PolarHBondContact O-N 2.89Å
1064S30.8Very low28.1Very low79 Ų79138.5 Ų138.555%0.55274%0.744SS**G310 helixtrans-79.2-17.4-168.557.30000116.1F1066S1064-F1066 VanDerWaalsContact C-N 3.3Å; S1064-F1066 PolarHBondContact O-N 3.11Å
1065I37.5Very low27.9Very low115 Ų115139.4 Ų139.459%0.5974%0.744SS**G310 helixtrans-78.7-11.6-173.9-66.5175.8000113N1063 Y1200N1063-I1065 PolarHBondContact O-N 2.89Å; I1065-Y1200 HydrophobicContact CD1-CE2 4.44Å
1066F35.8Very low27.7Very low115 Ų115136.3 Ų136.350%0.50474%0.739SS.*G310 helixtrans-111.123.7179.5-69-75000114.2S1064S1064-F1066 VanDerWaalsContact C-N 3.3Å; S1064-F1066 PolarHBondContact O-N 3.11Å
1067S24.8Very low27.5Very low94 Ų94137.2 Ų137.266%0.65774%0.739SS**  trans-126.6103.3174.5-65.20000110.8E1069S1067-E1069 PolarHBondContact O-N 3.36Å
1068V26Very low27.5Very low142 Ų142140 Ų14086%0.86175%0.746SS**  trans-9884.5177.7-177.40000109.8
1069E23.2Very low27.2Very low196 Ų196138.2 Ų138.292%0.91675%0.752SS**  trans-157.1140.1159.9-133174.2-147.600111.2S1067S1067-E1069 PolarHBondContact O-N 3.36Å
1070G25.4Very low27.2Very low73 Ų73137.1 Ų137.175%0.75375%0.746SS**  trans8271.9164.200000118.4
1071L25.9Very low26.8Very low174 Ų174136.9 Ų136.991%0.91174%0.74SS**  trans-122107.4143.2-91.3178.7000110.5Y1073L1071-Y1073 PolarHBondContact O-N 3.44Å
1072Q25.3Very low26.6Very low179 Ų179135.2 Ų135.284%0.83674%0.74SS**  trans-70.7121.5171-67164.1-105.600109.3D1074Q1072-D1074 PolarHBondContact O-N 3.02Å
1073Y26.1Very low26.5Very low238 Ų238136.1 Ų136.193%0.93374%0.74SS**  trans-80100.1156-98.8-83.1000108.5L1071L1071-Y1073 PolarHBondContact O-N 3.44Å
1074D24.4Very low26.2Very low124 Ų124138.3 Ų138.366%0.66375%0.747SS**  trans-111.2112.4159.6-142.5-31.6000109.1Q1072Q1072-D1074 PolarHBondContact O-N 3.02Å
1075N24.8Very low26Very low138 Ų138139.7 Ų139.774%0.73876%0.756SS**  trans13.8103.6162.2-61.1-79.4000118.4
1076S23.7Very low25.5Very low103 Ų103138.9 Ų138.972%0.7276%0.761SS**  163.8161.996.858.10000115.1
1077H26.7Very low25Very low161 Ų161138.4 Ų138.475%0.74577%0.771SS**  trans58.1109.1159-72.5-66.5000122
1078L25.9Very low25.1Very low151 Ų151139.7 Ų139.779%0.79177%0.77SS**  72.793.4129.8-65166.6000119.2
1079S22.1Very low25Very low123 Ų123139.6 Ų139.686%0.8676%0.764SS**  trans-100.3100.914261.90000110.5
1080D24.6Very low25.3Very low119 Ų119137 Ų13764%0.63676%0.761SS**  trans-157.2133.2166-140.525000105.9
1081R24Very low25.1Very low171 Ų171139.8 Ų139.865%0.64576%0.759SS**  cis-164.6144.6-0.8-162.4-178.5-98.9-150.5-7.9109.6
1082S22.4Very low25.2Very low116 Ų116137.5 Ų137.581%0.81176%0.758SS**  trans-16074.316366.90000116.6
1083V24.7Very low25.2Very low135 Ų135132.1 Ų132.182%0.81875%0.75SS**  trans-152.3105.8131-174.80000108.4
1084Q25.3Very low25.2Very low158 Ų158128.5 Ų128.574%0.73875%0.746SS**  trans-148.2132.2159-76.6-161-61.400111.5
1085S27.6Very low25.2Very low108 Ų108127.6 Ų127.676%0.75575%0.75SS**  trans-157.1149.5168.657.40000109.3
1086S27.1Very low25.4Very low99 Ų99125.4 Ų125.469%0.69275%0.745SS**  cis-172.7150.6-21.249.20000109.9
1087C24.7Very low25.4Very low104 Ų104125.2 Ų125.270%0.70374%0.744SS**  cis-168.7153.3-20-980000106.2
1088L26.3Very low25.5Very low122 Ų122122.5 Ų122.564%0.63974%0.743SS**  trans-143.8143.3163.9-89.1-175.4000113.6S1272 P1273L1088-S1272 WeakPolarHBondContact CD1-O 3.36Å; L1088-P1273 HydrophobicContact CD1-CB 4.44Å
1089N25.2Very low25.7Very low139 Ų139123.3 Ų123.374%0.74375%0.747SS**  trans-74.7153.6-168.5-39.7-23.3000113.4
1090V28Very low26Very low141 Ų141121.5 Ų121.586%0.85574%0.739SS**  -140.9152.8109.6174.60000108.5
1091D23.3Very low26.5Very low133 Ų133121.5 Ų121.571%0.71175%0.746SS**  trans-69.1166.1-169.2-57.8-94.8000118.3
1092S26.1Very low26.7Very low126 Ų126119.1 Ų119.188%0.88175%0.75SS**  trans87.7135.2139.177.80000120.4
1093G25.3Very low27.1Very low66 Ų66121 Ų12168%0.6875%0.751SS**  trans142.481.1141.800000117.5
1094L26.7Very low27.3Very low161 Ų161119.4 Ų119.484%0.84375%0.746SS**  trans46.6114.3137-63.6168.5000118.2
1095S25.2Very low27.5Very low105 Ų105116.6 Ų116.673%0.73474%0.744SS**  69.2153.994.792.40000115.1
1096S28.3Very low27.6Very low93 Ų93116.3 Ų116.365%0.6574%0.742SS**  cis-156.3138.511.779.10000107.8
1097S24.9Very low27.5Very low98 Ų98117.2 Ų117.269%0.68575%0.748SS**  85.5159.790.587.70000116.2
1098S28.7Very low27.9Very low104 Ų104117 Ų11773%0.72775%0.746SS**  trans81139.4166.983.60000119
1099L28.6Very low27.8Very low169 Ų169117.5 Ų117.589%0.88576%0.759SS**  cis-162.9150.6-30.1-122.2150.4000110.4
1100A28.2Very low27.7Very low84 Ų84116 Ų11669%0.69476%0.756SS**  trans-83.3161.216900000112
1101P35.4Very low27.5Very low120 Ų120114.4 Ų114.478%0.77975%0.746SS**  -145.2162.1128.7210.9000114.2
1102V29.1Very low27.5Very low121 Ų121115.6 Ų115.673%0.73375%0.752SS**  cis-168.5170.4-20.8115.80000108.8
1103N30.3Very low27.4Very low155 Ų155115 Ų11583%0.82974%0.743SS**  trans83.8129.9177.1-61.3-38000115.8
1104S29.6Very low27.5Very low101 Ų101119.8 Ų119.871%0.70675%0.748SS**  cis-144.2141.94.954.40000113.6
1105S29.9Very low27.6Very low99 Ų99117.5 Ų117.569%0.69274%0.74SS**  trans27.4115.2155.256.50000119.5
1106S28.8Very low27.7Very low102 Ų102120.5 Ų120.571%0.71374%0.743SS**  65.8106.457.584.10000116
1107S24.6Very low27.8Very low118 Ų118121.6 Ų121.683%0.82575%0.745SS**  56167.9122.3-44.90000120.8
1108P33.3Very low28.1Very low100 Ų100121.5 Ų121.565%0.64974%0.744SS**  cis-130.7179.7-3.642-26.9000114.9
1109S24Very low28.2Very low132 Ų132123.1 Ų123.192%0.92375%0.745SS**  trans-154.381.4143.1-80.90000108.7
1110T24.2Very low28.1Very low109 Ų109122.1 Ų122.167%0.66974%0.739SS**  trans-103.1128.7-176.6-25.90000109.8
1111T24Very low28.1Very low107 Ų107121.2 Ų121.266%0.65674%0.738SS**  trans52.7125.7145.250.60000122.4
1112L23.1Very low27.8Very low158 Ų158122.1 Ų122.183%0.82774%0.741SS**  trans68.8165.6133.7-56.3168.7000116.7
1113T23.5Very low27.6Very low114 Ų114121.4 Ų121.470%0.69974%0.741SS**  cis-132.3-175.38.834.70000112.6
1114E27Very low27.9Very low166 Ų166119.3 Ų119.378%0.77674%0.736SS**  trans103.394.2157.3-59.7-172-174.300115.7
1115T28.9Very low27.9Very low113 Ų113123.5 Ų123.569%0.69375%0.745SS**  80.2141.969.459.80000112.6
1116E27.3Very low27.6Very low168 Ų168126.2 Ų126.279%0.78575%0.751SS**  cis-161.5170.3-6.1-124.1-172.6-117.300107.5
1117V31.3Very low27.9Very low116 Ų116126.6 Ų126.670%0.70375%0.751SS**  cis-155.4170.4-1.877.20000104.7
1118S30.1Very low27.9Very low95 Ų95125.6 Ų125.666%0.66474%0.744SS**  cis-158.3-170.812.856.90000107.4
1119N30.7Very low27.5Very low138 Ų138129 Ų12974%0.73875%0.751SS**  cis-154.9178.18.8-151.3-6000112.7
1120I27.9Very low27.7Very low148 Ų148129.9 Ų129.976%0.75974%0.741SS**  trans-77150.5173.1-60.8151.5000110.9
1121G27.4Very low27.8Very low65 Ų65130.8 Ų130.867%0.6774%0.742SS**  cis151.6-174-6.100000113.6
1122V29.2Very low27.7Very low140 Ų140130.9 Ų130.985%0.84875%0.746SS**  trans78.1129.3165.2-168.60000118.6
1123S25.1Very low27.8Very low106 Ų106130 Ų13074%0.74175%0.748SS**  trans-98.1-163.8177.7-22.80000111.6
1124P36.7Very low27.8Very low110 Ų110132.3 Ų132.371%0.71475%0.753SS**  cis-131.8174.4-28.135.5-18.7000113.4
1125Q28.5Very low27.8Very low190 Ų190133.5 Ų133.589%0.88876%0.758SS**  166.1144.2128.7-91.7174.5-2.900114.2
1126D24.4Very low27.6Very low156 Ų156133.2 Ų133.283%0.83476%0.756SS**  trans-78.8-179.5169.7-74.8-69.3000112.7
1127P34.7Very low27.4Very low109 Ų109134.3 Ų134.371%0.70876%0.758SS**  cis-138.4175.93.131.9-9.2000118.4
1128S25.1Very low27.4Very low98 Ų98134 Ų13469%0.68576%0.759SS**  trans85.2126.6139.266.90000124.2
1129Q24.5Very low28.1Very low170 Ų170135.1 Ų135.179%0.79476%0.764SS**  trans59.3129.5150.3-62178-1.800118.5
1130H27.3Very low28Very low151 Ų151134.8 Ų134.870%0.69977%0.769SS**  cis-161.9160.439.8-117.1-72.1000113.3
1131N26.2Very low27.9Very low129 Ų129133.1 Ų133.169%0.6977%0.771SS**  trans53.9102.6149.8-62.3-1.5000122.9
1132S22.7Very low27.9Very low108 Ų108136 Ų13676%0.75578%0.78SS**  43.1113.2122.4-49.10000122.6
1133T25.4Very low27.8Very low141 Ų141133.7 Ų133.787%0.86578%0.776SS**  -170.9146.2115.813.60000114.9
1134M22.9Very low28.1Very low162 Ų162135 Ų13580%0.79878%0.782SS**  trans18.8124.4152.5-67.9-69.6-176.700121.7
1135H28.1Very low27.4Very low191 Ų191134 Ų13488%0.88478%0.783SS**  -160.6179.8121-118.4-84.1000112.1
1136V23.3Very low27.2Very low106 Ų106131 Ų13164%0.64277%0.773SS**  trans-140.3126.8-150.2161.90000113.3
1137F24.6Very low27.2Very low191 Ų191129.9 Ų129.984%0.83877%0.765SS**  trans63.9168.3159.7-82-129.7000118.5
1138P31.8Very low26.6Very low110 Ų110131.6 Ų131.671%0.71476%0.763SS**  cis-131.9-168.5-39.539.1-20.4000112.5
1139P43.4Very low26.5Very low119 Ų119138.6 Ų138.677%0.77378%0.775SS**  trans-106.7-175.9-166.842.2-35.8000115.5
1140P29Very low26.4Very low131 Ų131137.3 Ų137.385%0.85178%0.779SS**  trans-134.3166.2146.438.8-26.1000116.2
1141S24.8Very low26.2Very low113 Ų113133.5 Ų133.579%0.7978%0.781SS**  trans-90.2162.9-167.9550000117.5
1142S28.1Very low26Very low125 Ų125135.7 Ų135.787%0.87479%0.793SS**  -168.3152.3124.930.80000113.7
1143A26.9Very low26Very low91 Ų91133.9 Ų133.975%0.75279%0.791SS**  trans-125.9-172.9169.900000108.2
1144P30.7Very low26Very low135 Ų135134.1 Ų134.188%0.87779%0.787SS**  -147.5-149.453.140.5-16.3000114.8
1145A23.8Very low26.2Very low89 Ų89131.1 Ų131.174%0.73678%0.778SS**  trans-123-158.5-158.300000115.9
1146L22.9Very low26Very low127 Ų127126.5 Ų126.567%0.66577%0.767SS**  trans82.4144.3179.8-67.4145.1000114.8
1147I25.2Very low26.3Very low132 Ų132131.6 Ų131.668%0.67778%0.776SS**  cis-138138.725-71.3176.3000113
1148Q22.6Very low26.5Very low144 Ų144129.6 Ų129.667%0.67376%0.764SS**  trans27.4120.4140.3-149.6165.8-4.700120.1
1149W22.3Very low26.2Very low245 Ų245129.7 Ų129.793%0.92877%0.767SS**  66.694.360.1-86.862.7000117.8
1150T22.8Very low25.3Very low143 Ų143128.9 Ų128.988%0.87777%0.765SS**  trans-161.4120.1140.548.20000111.8
1151G22Very low25.3Very low72 Ų72126.2 Ų126.274%0.74275%0.748SS**SBendtrans75.7136.9155.700000119.4
1152N22.3Very low25.3Very low175 Ų175128.7 Ų128.794%0.93675%0.753SS**  trans57.2122.9163.5-63.2-3.9000120
1153G23.2Very low25.4Very low70 Ų70125.8 Ų125.872%0.72274%0.737SS**  trans109.9138146.300000118.1
1154N24.9Very low25.7Very low145 Ų145124.8 Ų124.878%0.77572%0.721SS**  trans53.680.1153.5-60.6-0.4000119.5S1156N1154-S1156 PolarHBondContact O-N 3.35Å
1155T26.9Very low25.6Very low99 Ų99121.1 Ų121.161%0.60771%0.708SS**  trans-82.457.7154.548.50000112Y1157T1155-Y1157 VanDerWaalsContact C-N 3.28Å; T1155-Y1157 HydrophobicContact CG2-CD2 4.49Å; T1155-Y1157 HydrophobicContact CG2-CE2 3.9Å; T1155-Y1157 PolarHBondContact O-N 3Å
1156S24.4Very low26Very low95 Ų95123 Ų12366%0.66471%0.71SS**  trans-79.374.1172.661.50000110.9N1154 Y1158N1154-S1156 PolarHBondContact O-N 3.35Å; S1156-Y1158 PolarHBondContact O-N 2.84Å; S1156-Y1158 VanDerWaalsContact O-N 3.08Å
1157Y29.4Very low26.6Very low212 Ų212122.2 Ų122.283%0.83171%0.71SS**  trans-74.615.5178.3-76.4-70.2000114.6T1155 S1159T1155-Y1157 VanDerWaalsContact C-N 3.28Å; T1155-Y1157 HydrophobicContact CG2-CD2 4.49Å; T1155-Y1157 HydrophobicContact CG2-CE2 3.9Å; T1155-Y1157 PolarHBondContact O-N 3Å; Y1157-S1159 PolarHBondContact O-N 3.01Å
1158Y30.1Very low27.8Very low150 Ų150118.4 Ų118.459%0.58870%0.696SS**  trans-86.4105.4176.6-81.2-89000111.7S1156S1156-Y1158 PolarHBondContact O-N 2.84Å; S1156-Y1158 VanDerWaalsContact O-N 3.08Å
1159S24Very low30Very low111 Ų111113.8 Ų113.878%0.77668%0.679SS**  trans-62.7147.1136-73.20000108.7Y1157Y1157-S1159 PolarHBondContact O-N 3.01Å
1160S24.7Very low32.3Very low102 Ų102105.3 Ų105.371%0.71365%0.652SS**  trans-51.9149.4-174.6-46.30000114.2N1162S1160-N1162 PolarHBondContact O-N 3.12Å
1161C29.7Very low34.9Very low76 Ų7699.6 Ų99.651%0.51462%0.616SS.*  trans-5887.4178.5-620000113.1D1051 A1163D1051-C1161 VanDerWaalsContact OD2-CB 3.29Å; D1051-C1161 WeakPolarHBondContact OD2-CB 3.4Å; C1161-A1163 PolarHBondContact O-N 3.31Å
1162N25Very low37.6Very low164 Ų16496.5 Ų96.588%0.87758%0.583SS**  trans-97.554.4172.9-78.4-24.6000110.7S1160S1160-N1162 PolarHBondContact O-N 3.12Å
1163A29.1Very low40.6Very low65 Ų6590.3 Ų90.354%0.53755%0.547SS..SBendtrans-134-20.2-177.800000115C1161C1161-A1163 PolarHBondContact O-N 3.31Å
1164T33.2Very low43.5Very low69 Ų6987 Ų8742%0.42351%0.512SS..  trans-101.18316563.80000110.9V1166T1164-V1166 PolarHBondContact O-N 3.37Å; T1164-V1166 VanDerWaalsContact O-N 3.11Å
1165G28.7Very low46.5Very low58 Ų5880.1 Ų80.160%0.59848%0.475SS*.  trans-62.1110.8164.500000110.2
1166V31.9Very low49.4Very low129 Ų12975.4 Ų75.478%0.78245%0.447SS*.SBendtrans49.8104.7164.9-174.60000115.6T1164T1164-V1166 PolarHBondContact O-N 3.37Å; T1164-V1166 VanDerWaalsContact O-N 3.11Å
1167T36.1Very low52.4Low110 Ų11071 Ų7168%0.67542%0.415SS*.  trans77.7107.8177.2710000117R852 S1169R852-T1167 PolarHBondContact NH2-O 3.25Å; T1167-S1169 PolarHBondContact O-N 3.26Å
1168S51Low55.3Low53 Ų5360.9 Ų60.937%0.37138%0.376SS..  trans-73.9101.2145.954.30000108.2D1170S1168-D1170 PolarHBondContact O-N 3Å
1169S67.5Low58Low47 Ų4753.9 Ų53.933%0.32935%0.349SS..  trans-54.5138.2166.2171.10000109.3T1167 D1171 C1172 R1173T1167-S1169 PolarHBondContact O-N 3.26Å; S1169-D1171 PolarHBondContact O-N 2.85Å; S1169-D1171 VanDerWaalsContact O-N 3.17Å; S1169-D1171 PolarHBondContact OG-N 3.03Å; S1169-D1171 PolarHBondContact OG-OD2 2.81Å; S1169-D1171 VanDerWaalsContact OG-OD2 3.07Å; S1169-C1172 VanDerWaalsContact O-CB 3.27Å; S1169-C1172 WeakPolarHBondContact O-CB 3.35Å; S1169-C1172 PolarHBondContact O-N 3.33Å; S1169-R1173 PolarHBondContact O-N 2.99Å
1170D71.9Confident61.2Low66 Ų6648.6 Ų48.635%0.35331%0.312SS..Hα-helixtrans-58.9-26.4175.7-75.8-41.8000112.2S1168 C1172 R1173 V1174S1168-D1170 PolarHBondContact O-N 3Å; D1170-C1172 PolarHBondContact O-N 3.24Å; D1170-R1173 PolarHBondContact O-N 2.93Å; D1170-R1173 VanDerWaalsContact O-N 3.15Å; D1170-R1173 IonicContact OD1-CZ 3.51Å; D1170-R1173 IonicContact OD1-NH1 2.69Å; D1170-R1173 PolarHBondContact OD1-NH1 3.41Å; D1170-V1174 WeakPolarHBondContact O-CB 3.48Å; D1170-V1174 VanDerWaalsContact O-CG2 3.3Å; D1170-V1174 WeakPolarHBondContact O-CG2 3.45Å; D1170-V1174 PolarHBondContact O-N 2.97Å
1171D76.1Confident64.2Low24 Ų2443.9 Ų43.913%0.12828%0.278CS..Hα-helixtrans-58-37172.3-57.4-48.1000112.2F851 G879 S1169 F1175F851-D1171 HydrophobicContact CE1-CB 4Å; F851-D1171 WeakPolarHBondContact CE1-O 3.43Å; F851-D1171 HydrophobicContact CZ-CB 4.09Å; G879-D1171 VanDerWaalsContact CA-OD1 3.31Å; G879-D1171 WeakPolarHBondContact CA-OD1 3.47Å; G879-D1171 PolarHBondContact N-OD1 3.39Å; G879-D1171 VanDerWaalsContact N-OD1 3.15Å; S1169-D1171 PolarHBondContact O-N 2.85Å; S1169-D1171 VanDerWaalsContact O-N 3.17Å; S1169-D1171 PolarHBondContact OG-N 3.03Å; S1169-D1171 PolarHBondContact OG-OD2 2.81Å; S1169-D1171 VanDerWaalsContact OG-OD2 3.07Å; D1171-F1175 WeakPolarHBondContact O-CB 3.46Å; D1171-F1175 PolarHBondContact O-N 3.31Å
1172C80.1Confident67Low7 Ų742 Ų425%0.04726%0.26CS..Hα-helixtrans-70-39.6178.3-63.20000111L848 R852 S1169 D1170 F1175 C1176L848-C1172 HydrophobicContact CD2-CB 3.77Å; R852-C1172 PolarHBondContact NE-SG 2.67Å; R852-C1172 VanDerWaalsContact NE-SG 3.39Å; S1169-C1172 VanDerWaalsContact O-CB 3.27Å; S1169-C1172 WeakPolarHBondContact O-CB 3.35Å; S1169-C1172 PolarHBondContact O-N 3.33Å; D1170-C1172 PolarHBondContact O-N 3.24Å; C1172-F1175 PolarHBondContact O-N 2.93Å; C1172-C1176 PolarHBondContact O-N 3.12Å
1173R84.1Confident70.1Confident44 Ų4434.1 Ų34.117%0.16622%0.219CC..Hα-helixtrans-69.3-39.8177.7-58.6169.765.7-153.78.6110.7T1048 S1169 D1170 C1176 L1177 I1215T1048-R1173 PolarHBondContact O-NE 3.06Å; T1048-R1173 PolarHBondContact O-NH2 3.42Å; S1169-R1173 PolarHBondContact O-N 2.99Å; D1170-R1173 PolarHBondContact O-N 2.93Å; D1170-R1173 VanDerWaalsContact O-N 3.15Å; D1170-R1173 IonicContact OD1-CZ 3.51Å; D1170-R1173 IonicContact OD1-NH1 2.69Å; D1170-R1173 PolarHBondContact OD1-NH1 3.41Å; R1173-C1176 PolarHBondContact O-N 3.35Å; R1173-L1177 VanDerWaalsContact O-CB 3.27Å; R1173-L1177 WeakPolarHBondContact O-CB 3.34Å; R1173-L1177 PolarHBondContact O-N 2.97Å; R1173-I1215 HydrophobicContact CB-CD1 3.67Å
1174V85.2Confident72.9Confident0 Ų031.2 Ų31.20%019%0.194CC..Hα-helixtrans-59.5-45.3170.3165.40000111.3I875 D1170 L1177 E1178 L1214 I1215 R1218I875-V1174 HydrophobicContact CG2-CG1 3.97Å; D1170-V1174 WeakPolarHBondContact O-CB 3.48Å; D1170-V1174 VanDerWaalsContact O-CG2 3.3Å; D1170-V1174 WeakPolarHBondContact O-CG2 3.45Å; D1170-V1174 PolarHBondContact O-N 2.97Å; V1174-L1177 PolarHBondContact O-N 3.11Å; V1174-E1178 WeakPolarHBondContact O-CB 3.37Å; V1174-E1178 WeakPolarHBondContact O-CG 3.41Å; V1174-E1178 PolarHBondContact O-N 2.71Å; V1174-L1214 HydrophobicContact CG2-CD2 4.5Å; V1174-L1214 HydrophobicContact CG2-CG 4.13Å; V1174-I1215 HydrophobicContact CG2-CB 4.11Å; V1174-R1218 HydrophobicContact CG1-CB 4.35Å; V1174-R1218 HydrophobicContact CG1-CG 3.86Å; V1174-R1218 HydrophobicContact CG2-CB 4.41Å; V1174-R1218 HydrophobicContact CG2-CG 4.22Å
1175F87.5Confident75.3Confident1 Ų130.5 Ų30.50%0.00419%0.187CC..Hα-helixtrans-61-47.2176.3174.5-97.8000112.3L848 F851 L856 L860 L861 I875 D1171 C1172 L1177 E1178 L1179L848-F1175 HydrophobicContact CD2-CD1 4.22Å; F851-F1175 HydrophobicContact CB-CD1 4.35Å; F851-F1175 HydrophobicContact CB-CE1 4.5Å; F851-F1175 HydrophobicContact CB-CG 4.45Å; F851-F1175 HydrophobicContact CD1-CB 4.17Å; F851-F1175 HydrophobicContact CD1-CG 4.35Å; F851-F1175 HydrophobicContact CD2-CB 4.22Å; F851-F1175 AromaticContact CD2-CD2 3.77Å; F851-F1175 HydrophobicContact CD2-CD2 3.77Å; F851-F1175 HydrophobicContact CD2-CE2 4.36Å; F851-F1175 AromaticContact CD2-CG 3.94Å; F851-F1175 HydrophobicContact CD2-CG 3.94Å; F851-F1175 HydrophobicContact CE1-CB 4.09Å; F851-F1175 HydrophobicContact CE2-CB 4.14Å; F851-F1175 HydrophobicContact CE2-CD2 4.13Å; F851-F1175 HydrophobicContact CE2-CG 4.29Å; F851-F1175 HydrophobicContact CG-CB 4.24Å; F851-F1175 HydrophobicContact CG-CD1 4.3Å; F851-F1175 HydrophobicContact CG-CD2 4.23Å; F851-F1175 AromaticContact CG-CG 3.98Å; F851-F1175 HydrophobicContact CG-CG 3.98Å; F851-F1175 HydrophobicContact CZ-CB 4.07Å; L856-F1175 HydrophobicContact CD1-CE1 4.09Å; L856-F1175 HydrophobicContact CD1-CE2 3.64Å; L856-F1175 HydrophobicContact CD1-CZ 3.34Å; L860-F1175 HydrophobicContact CB-CE2 4.33Å; L861-F1175 HydrophobicContact CD2-CD2 4.2Å; L861-F1175 HydrophobicContact CD2-CE2 4.09Å; I875-F1175 HydrophobicContact CG2-CB 4.44Å; D1171-F1175 WeakPolarHBondContact O-CB 3.46Å; D1171-F1175 PolarHBondContact O-N 3.31Å; C1172-F1175 PolarHBondContact O-N 2.93Å; F1175-L1177 VanDerWaalsContact C-N 3.34Å; F1175-L1177 PolarHBondContact O-N 3.2Å; F1175-E1178 PolarHBondContact O-N 3.08Å; F1175-L1179 HydrophobicContact CE1-CD2 4.25Å; F1175-L1179 HydrophobicContact CZ-CD2 4.41Å; F1175-L1179 WeakPolarHBondContact O-CB 3.48Å; F1175-L1179 PolarHBondContact O-N 2.8Å
1176C87.8Confident78.1Confident1 Ų130.7 Ų30.71%0.00717%0.169CC..Hα-helixtrans-63.1-37.9176.6-73.10000113A1047 T1048 C1172 R1173 L1179 L1180A1047-C1176 HydrophobicContact CB-CB 4.07Å; T1048-C1176 HydrophobicContact CG2-CB 3.91Å; C1172-C1176 PolarHBondContact O-N 3.12Å; R1173-C1176 PolarHBondContact O-N 3.35Å; C1176-L1179 PolarHBondContact O-N 3.19Å; C1176-L1180 WeakPolarHBondContact O-CB 3.02Å; C1176-L1180 PolarHBondContact O-N 3.08Å
1177L88.2Confident80.7Confident1 Ų124.8 Ų24.81%0.00513%0.133CC..Hα-helixtrans-64.3-43.5175172.865.3000111.4T1048 R1173 V1174 F1175 L1179 L1180 I1181 L1202 I1215 R1218 V1219T1048-L1177 HydrophobicContact CG2-CB 3.81Å; R1173-L1177 VanDerWaalsContact O-CB 3.27Å; R1173-L1177 WeakPolarHBondContact O-CB 3.34Å; R1173-L1177 PolarHBondContact O-N 2.97Å; V1174-L1177 PolarHBondContact O-N 3.11Å; F1175-L1177 VanDerWaalsContact C-N 3.34Å; F1175-L1177 PolarHBondContact O-N 3.2Å; L1177-L1179 VanDerWaalsContact C-N 3.29Å; L1177-L1179 PolarHBondContact O-N 3.2Å; L1177-L1180 WeakPolarHBondContact O-CB 3.49Å; L1177-L1180 PolarHBondContact O-N 2.86Å; L1177-I1181 HydrophobicContact CD1-CD1 4.13Å; L1177-I1181 HydrophobicContact CD1-CG1 4.47Å; L1177-I1181 HydrophobicContact CG-CD1 3.94Å; L1177-I1181 WeakPolarHBondContact O-CD1 3.37Å; L1177-I1181 VanDerWaalsContact O-CG1 3.24Å; L1177-I1181 WeakPolarHBondContact O-CG1 3.49Å; L1177-I1181 PolarHBondContact O-N 3.16Å; L1177-L1202 HydrophobicContact CD1-CD2 3.62Å; L1177-I1215 HydrophobicContact CD2-CG1 4.18Å; L1177-R1218 HydrophobicContact CD2-CB 3.96Å; L1177-V1219 HydrophobicContact CD1-CG2 4.1Å; L1177-V1219 HydrophobicContact CD2-CB 4.25Å; L1177-V1219 HydrophobicContact CD2-CG2 3.44Å; L1177-V1219 VanDerWaalsContact CD2-CG2 3.44Å; L1177-V1219 HydrophobicContact CG-CG2 4.42Å
1178E88.8Confident82.8Confident0 Ų024.5 Ų24.50%012%0.12CC..Hα-helixtrans-68.5-27.4175.8-78.8-75.5-177.500113S863 I875 V1174 F1175 R1182 R1225S863-E1178 VanDerWaalsContact CB-OE1 3.3Å; S863-E1178 WeakPolarHBondContact CB-OE1 3.43Å; S863-E1178 VanDerWaalsContact OG-CD 3.3Å; S863-E1178 PolarHBondContact OG-OE1 2.91Å; I875-E1178 HydrophobicContact CD1-CB 3.59Å; I875-E1178 HydrophobicContact CD1-CG 3.63Å; V1174-E1178 WeakPolarHBondContact O-CB 3.37Å; V1174-E1178 WeakPolarHBondContact O-CG 3.41Å; V1174-E1178 PolarHBondContact O-N 2.71Å; F1175-E1178 PolarHBondContact O-N 3.08Å; E1178-R1182 VanDerWaalsContact C-NH1 3.34Å; E1178-R1182 WeakPolarHBondContact O-CG 3.27Å; E1178-R1182 PolarHBondContact O-N 3.3Å; E1178-R1182 PolarHBondContact O-NH1 3.48Å; E1178-R1225 IonicContact OE1-NH1 3.65Å; E1178-R1225 PolarHBondContact OE1-NH1 2.92Å; E1178-R1225 IonicContact OE2-CZ 2.77Å; E1178-R1225 IonicContact OE2-NH1 3.36Å; E1178-R1225 PolarHBondContact OE2-NH1 3.26Å; E1178-R1225 IonicContact OE2-NH2 3.28Å; E1178-R1225 PolarHBondContact OE2-NH2 2.8Å; E1178-R1225 VanDerWaalsContact OE2-NH2 3.16Å
1179L88.2Confident84.2Confident3 Ų327.2 Ų27.22%0.01613%0.13CC..Hα-helixtrans-73-43.6170.5-165.856.5000111.1L844 L847 I1026 L1044 F1175 C1176 L1177 R1182 V1183L844-L1179 HydrophobicContact CD2-CD2 3.86Å; L847-L1179 HydrophobicContact CD1-CD2 4.44Å; I1026-L1179 HydrophobicContact CD1-CD1 3.71Å; I1026-L1179 HydrophobicContact CD1-CG 4.31Å; I1026-L1179 HydrophobicContact CG1-CD1 3.83Å; I1026-L1179 HydrophobicContact CG2-CD1 4.19Å; L1044-L1179 HydrophobicContact CD2-CB 3.98Å; L1044-L1179 HydrophobicContact CD2-CD2 3.89Å; L1044-L1179 HydrophobicContact CD2-CG 3.95Å; F1175-L1179 HydrophobicContact CE1-CD2 4.25Å; F1175-L1179 HydrophobicContact CZ-CD2 4.41Å; F1175-L1179 WeakPolarHBondContact O-CB 3.48Å; F1175-L1179 PolarHBondContact O-N 2.8Å; C1176-L1179 PolarHBondContact O-N 3.19Å; L1177-L1179 VanDerWaalsContact C-N 3.29Å; L1177-L1179 PolarHBondContact O-N 3.2Å; L1179-R1182 PolarHBondContact O-N 2.96Å; L1179-V1183 WeakPolarHBondContact O-CG2 3.48Å; L1179-V1183 PolarHBondContact O-N 3.4Å
1180L90.1Very high85Confident1 Ų126.6 Ų26.61%0.00512%0.121CC..Hα-helixtrans-57.3-49.8172.8177.964.4000112I1041 L1044 L1045 C1176 L1177 R1182 V1183 L1184I1041-L1180 HydrophobicContact CG2-CD1 4.26Å; L1044-L1180 HydrophobicContact CB-CB 4.23Å; L1044-L1180 HydrophobicContact CB-CD1 4.11Å; L1044-L1180 HydrophobicContact CD1-CB 4.44Å; L1044-L1180 HydrophobicContact CD1-CD1 4.33Å; L1045-L1180 HydrophobicContact CD2-CD2 3.59Å; L1045-L1180 HydrophobicContact CG-CD2 4.26Å; C1176-L1180 WeakPolarHBondContact O-CB 3.02Å; C1176-L1180 PolarHBondContact O-N 3.08Å; L1177-L1180 WeakPolarHBondContact O-CB 3.49Å; L1177-L1180 PolarHBondContact O-N 2.86Å; L1180-R1182 VanDerWaalsContact C-N 3.28Å; L1180-R1182 PolarHBondContact O-N 3.41Å; L1180-V1183 PolarHBondContact O-N 3.44Å; L1180-V1183 VanDerWaalsContact O-N 3.17Å; L1180-L1184 HydrophobicContact CD1-CD1 3.95Å; L1180-L1184 HydrophobicContact CD1-CD2 4.46Å; L1180-L1184 HydrophobicContact CD1-CG 4.08Å; L1180-L1184 HydrophobicContact CG-CD1 3.83Å; L1180-L1184 HydrophobicContact CG-CG 4.36Å; L1180-L1184 VanDerWaalsContact O-CG 3.26Å; L1180-L1184 WeakPolarHBondContact O-CG 3.41Å; L1180-L1184 PolarHBondContact O-N 3.08Å
1181I88.5Confident85.4Confident2 Ų223.6 Ų23.61%0.0110%0.104CC..Hα-helixtrans-57.9-41.6178.2-65.4154000110.7L1177 L1184 M1185L1177-I1181 HydrophobicContact CD1-CD1 4.13Å; L1177-I1181 HydrophobicContact CD1-CG1 4.47Å; L1177-I1181 HydrophobicContact CG-CD1 3.94Å; L1177-I1181 WeakPolarHBondContact O-CD1 3.37Å; L1177-I1181 VanDerWaalsContact O-CG1 3.24Å; L1177-I1181 WeakPolarHBondContact O-CG1 3.49Å; L1177-I1181 PolarHBondContact O-N 3.16Å; I1181-L1184 PolarHBondContact O-N 3.13Å; I1181-M1185 HydrophobicContact CG2-CE 4.35Å; I1181-M1185 HydrophobicContact CG2-CG 4.42Å; I1181-M1185 HydrophobicContact CG2-SD 4.31Å; I1181-M1185 WeakPolarHBondContact O-CB 3.48Å; I1181-M1185 VanDerWaalsContact O-CG 3.3Å; I1181-M1185 WeakPolarHBondContact O-CG 3.44Å; I1181-M1185 PolarHBondContact O-N 3.36Å
1182R88.9Confident85.6Confident36 Ų3626.2 Ų26.214%0.13612%0.121CC..Hα-helixtrans-64.7-44.3176-71.5-177.8-161.9105.4-19.6112.7L860 E862 I1026 E1178 L1179 L1180 L1184 M1185 R1186L860-R1182 VanDerWaalsContact C-NH2 3.28Å; L860-R1182 PolarHBondContact O-NH1 3.03Å; L860-R1182 PolarHBondContact O-NH2 3Å; E862-R1182 PolarHBondContact O-NH2 3.02Å; I1026-R1182 HydrophobicContact CG2-CB 4.5Å; E1178-R1182 VanDerWaalsContact C-NH1 3.34Å; E1178-R1182 WeakPolarHBondContact O-CG 3.27Å; E1178-R1182 PolarHBondContact O-N 3.3Å; E1178-R1182 PolarHBondContact O-NH1 3.48Å; L1179-R1182 PolarHBondContact O-N 2.96Å; L1180-R1182 VanDerWaalsContact C-N 3.28Å; L1180-R1182 PolarHBondContact O-N 3.41Å; R1182-L1184 VanDerWaalsContact C-N 3.34Å; R1182-L1184 PolarHBondContact O-N 2.97Å; R1182-M1185 HydrophobicContact CG-CE 4.24Å; R1182-M1185 PolarHBondContact O-N 2.96Å; R1182-R1186 VanDerWaalsContact O-CB 3.3Å; R1182-R1186 WeakPolarHBondContact O-CB 3.44Å; R1182-R1186 PolarHBondContact O-N 3.04Å
1183V88.5Confident85.6Confident0 Ų030.3 Ų30.30%015%0.149CC..Hα-helixtrans-61-43.1176171.80000111I1026 L1037 L1040 I1041 L1044 L1179 L1180 R1186 N1187I1026-V1183 HydrophobicContact CG2-CG2 4.11Å; L1037-V1183 HydrophobicContact CD1-CG1 3.68Å; L1040-V1183 HydrophobicContact CD2-CG1 4.35Å; L1040-V1183 HydrophobicContact CD2-CG2 4.37Å; I1041-V1183 HydrophobicContact CG1-CG1 4.41Å; L1044-V1183 HydrophobicContact CD1-CG2 4.14Å; L1179-V1183 WeakPolarHBondContact O-CG2 3.48Å; L1179-V1183 PolarHBondContact O-N 3.4Å; L1180-V1183 PolarHBondContact O-N 3.44Å; L1180-V1183 VanDerWaalsContact O-N 3.17Å; V1183-R1186 PolarHBondContact O-N 2.93Å; V1183-N1187 PolarHBondContact O-N 3.39Å; V1183-N1187 VanDerWaalsContact O-N 3.16Å; V1183-N1187 PolarHBondContact O-ND2 3.12Å
1184L88.1Confident85.5Confident3 Ų329.1 Ų29.12%0.01615%0.145CC..Hα-helixtrans-66.2-46.5178.8-64.7170000112.3I1041 L1180 I1181 R1182 R1186 N1187 R1188 L1191 V1198 L1226I1041-L1184 HydrophobicContact CD1-CD2 4.05Å; L1180-L1184 HydrophobicContact CD1-CD1 3.95Å; L1180-L1184 HydrophobicContact CD1-CD2 4.46Å; L1180-L1184 HydrophobicContact CD1-CG 4.08Å; L1180-L1184 HydrophobicContact CG-CD1 3.83Å; L1180-L1184 HydrophobicContact CG-CG 4.36Å; L1180-L1184 VanDerWaalsContact O-CG 3.26Å; L1180-L1184 WeakPolarHBondContact O-CG 3.41Å; L1180-L1184 PolarHBondContact O-N 3.08Å; I1181-L1184 PolarHBondContact O-N 3.13Å; R1182-L1184 VanDerWaalsContact C-N 3.34Å; R1182-L1184 PolarHBondContact O-N 2.97Å; L1184-R1186 PolarHBondContact O-N 3.44Å; L1184-N1187 CarbonylContact O-C 3.5Å; L1184-N1187 PolarHBondContact O-N 3.45Å; L1184-N1187 VanDerWaalsContact O-N 3.09Å; L1184-R1188 PolarHBondContact O-N 3.24Å; L1184-L1191 HydrophobicContact CB-CD1 4.22Å; L1184-L1191 HydrophobicContact CD2-CD1 3.65Å; L1184-L1191 HydrophobicContact CG-CD1 4.39Å; L1184-V1198 HydrophobicContact CD1-CG1 3.76Å; L1184-V1198 HydrophobicContact CD1-CG2 4.3Å; L1184-V1198 HydrophobicContact CD2-CG2 4.07Å; L1184-L1226 HydrophobicContact CB-CD2 3.93Å; L1184-L1226 HydrophobicContact CD1-CD1 4.35Å
1185M85.2Confident85.5Confident55 Ų5529.4 Ų29.427%0.27115%0.146SC..Hα-helixtrans-58.8-35.8174.1-71.5-172.6-48.700112.1I1181 R1182 N1187 R1225 L1226 C1229I1181-M1185 HydrophobicContact CG2-CE 4.35Å; I1181-M1185 HydrophobicContact CG2-CG 4.42Å; I1181-M1185 HydrophobicContact CG2-SD 4.31Å; I1181-M1185 WeakPolarHBondContact O-CB 3.48Å; I1181-M1185 VanDerWaalsContact O-CG 3.3Å; I1181-M1185 WeakPolarHBondContact O-CG 3.44Å; I1181-M1185 PolarHBondContact O-N 3.36Å; R1182-M1185 HydrophobicContact CG-CE 4.24Å; R1182-M1185 PolarHBondContact O-N 2.96Å; M1185-N1187 VanDerWaalsContact C-N 3.28Å; M1185-N1187 PolarHBondContact O-N 3.05Å; M1185-R1225 HydrophobicContact SD-CB 4.43Å; M1185-L1226 HydrophobicContact CG-CD2 4.02Å; M1185-C1229 HydrophobicContact CG-CB 4.24Å
1186R85.9Confident85Confident62 Ų6233.4 Ų33.423%0.23417%0.174CC..Hα-helixtrans-74.2-17179.2-167.755.4168.5-149-6.8113.6E1027 K1030 R1182 V1183 L1184E1027-R1186 PolarHBondContact O-NE 2.87Å; E1027-R1186 PolarHBondContact O-NH2 3.04Å; E1027-R1186 IonicContact OE2-CZ 2.75Å; E1027-R1186 IonicContact OE2-NH1 3.49Å; E1027-R1186 PolarHBondContact OE2-NH1 3.45Å; E1027-R1186 VanDerWaalsContact OE2-NH1 3.11Å; E1027-R1186 IonicContact OE2-NH2 3.99Å; E1027-R1186 PolarHBondContact OE2-NH2 2.86Å; K1030-R1186 HydrophobicContact CB-CG 4.26Å; K1030-R1186 VanDerWaalsContact CE-NH2 3.3Å; R1182-R1186 VanDerWaalsContact O-CB 3.3Å; R1182-R1186 WeakPolarHBondContact O-CB 3.44Å; R1182-R1186 PolarHBondContact O-N 3.04Å; V1183-R1186 PolarHBondContact O-N 2.93Å; L1184-R1186 PolarHBondContact O-N 3.44Å
1187N86.4Confident84.6Confident4 Ų436.5 Ų36.52%0.02119%0.19CC..THydrogen-bonded Turntrans-118.433.5-179.8-70.7-89.1000112S1029 K1030 L1037 V1183 L1184 M1185 D1189 R1190 L1191S1029-N1187 PolarHBondContact O-OD1 2.92Å; S1029-N1187 PolarHBondContact OG-ND2 2.81Å; K1030-N1187 WeakPolarHBondContact CA-OD1 3.48Å; L1037-N1187 HydrophobicContact CD2-CB 4.08Å; L1037-N1187 WeakPolarHBondContact CD2-OD1 3.35Å; V1183-N1187 PolarHBondContact O-N 3.39Å; V1183-N1187 VanDerWaalsContact O-N 3.16Å; V1183-N1187 PolarHBondContact O-ND2 3.12Å; L1184-N1187 CarbonylContact O-C 3.5Å; L1184-N1187 PolarHBondContact O-N 3.45Å; L1184-N1187 VanDerWaalsContact O-N 3.09Å; M1185-N1187 VanDerWaalsContact C-N 3.28Å; M1185-N1187 PolarHBondContact O-N 3.05Å; N1187-D1189 PolarHBondContact O-N 3.36Å; N1187-D1189 VanDerWaalsContact O-N 3.07Å; N1187-R1190 PolarHBondContact O-N 3.42Å; N1187-R1190 PolarHBondContact OD1-NE 3.01Å; N1187-R1190 PolarHBondContact OD1-NH2 3.34Å; N1187-L1191 PolarHBondContact O-N 2.96Å; N1187-L1191 VanDerWaalsContact O-N 3.11Å
1188R81.1Confident84.5Confident104 Ų10436.4 Ų36.439%0.39219%0.19SC..THydrogen-bonded Turntrans-52.3-33.1-174.269-179.9-175177.30.1114.4L1184 L1230L1184-R1188 PolarHBondContact O-N 3.24Å; R1188-L1230 HydrophobicContact CB-CD2 4.11Å
1189D80.3Confident84.4Confident111 Ų11138.5 Ų38.559%0.59420%0.198SC*.THydrogen-bonded Turntrans-73.6-24179.657.4-48.2000113.6N1187N1187-D1189 PolarHBondContact O-N 3.36Å; N1187-D1189 VanDerWaalsContact O-N 3.07Å
1190R83.8Confident84.1Confident34 Ų3443.7 Ų43.713%0.12822%0.218CC..THydrogen-bonded Turntrans-104.9-2.5177.2-57.4-165.5-72-179.1-13113.6S1029 K1030 L1032 D1034 N1187 V1192 C1193 F1194S1029-R1190 PolarHBondContact O-NH2 2.9Å; K1030-R1190 PolarHBondContact O-NH2 3.12Å; L1032-R1190 VanDerWaalsContact O-CZ 3.29Å; L1032-R1190 PolarHBondContact O-NH1 3.32Å; L1032-R1190 PolarHBondContact O-NH2 3.09Å; D1034-R1190 VanDerWaalsContact OD1-CD 3.29Å; D1034-R1190 WeakPolarHBondContact OD1-CD 3.34Å; D1034-R1190 IonicContact OD1-CZ 2.66Å; D1034-R1190 IonicContact OD1-NE 3.71Å; D1034-R1190 IonicContact OD1-NH1 3.66Å; D1034-R1190 PolarHBondContact OD1-NH1 2.93Å; N1187-R1190 PolarHBondContact O-N 3.42Å; N1187-R1190 PolarHBondContact OD1-NE 3.01Å; N1187-R1190 PolarHBondContact OD1-NH2 3.34Å; R1190-V1192 PolarHBondContact O-N 3.43Å; R1190-V1192 VanDerWaalsContact O-N 3.13Å; R1190-C1193 WeakPolarHBondContact O-CB 3.44Å; R1190-C1193 PolarHBondContact O-N 3.44Å; R1190-C1193 VanDerWaalsContact O-N 3.08Å; R1190-F1194 HydrophobicContact CB-CE2 4.07Å; R1190-F1194 WeakPolarHBondContact O-CD2 3.46Å; R1190-F1194 WeakPolarHBondContact O-CE2 3.36Å
1191L81.7Confident83.8Confident2 Ų246.8 Ų46.81%0.0123%0.23CC..THydrogen-bonded Turntrans-55.6-36.7-171.1-178.162.5000113.3L1184 N1187 C1193 F1194 W1195 L1230 V1236L1184-L1191 HydrophobicContact CB-CD1 4.22Å; L1184-L1191 HydrophobicContact CD2-CD1 3.65Å; L1184-L1191 HydrophobicContact CG-CD1 4.39Å; N1187-L1191 PolarHBondContact O-N 2.96Å; N1187-L1191 VanDerWaalsContact O-N 3.11Å; L1191-C1193 PolarHBondContact O-N 3.22Å; L1191-F1194 CarbonylContact O-C 3.48Å; L1191-F1194 PolarHBondContact O-N 2.98Å; L1191-W1195 HydrophobicContact CD1-CE3 4.19Å; L1191-W1195 HydrophobicContact CD2-CE3 4.41Å; L1191-W1195 HydrophobicContact CG-CE3 4.38Å; L1191-W1195 WeakPolarHBondContact O-CB 3.49Å; L1191-W1195 PolarHBondContact O-N 3.15Å; L1191-L1230 HydrophobicContact CD2-CD1 3.37Å; L1191-L1230 HydrophobicContact CD2-CD2 3.65Å; L1191-L1230 HydrophobicContact CD2-CG 4.09Å; L1191-V1236 HydrophobicContact CD2-CG1 4.06Å
1192V79.3Confident83.6Confident80 Ų8046.9 Ų46.949%0.48523%0.23SC..Hα-helixtrans-53.9-37.4179.6-177.40000112R1190 F1194 V1236R1190-V1192 PolarHBondContact O-N 3.43Å; R1190-V1192 VanDerWaalsContact O-N 3.13Å; V1192-F1194 PolarHBondContact O-N 3.02Å; V1192-V1236 HydrophobicContact CG2-CG2 4.25Å
1193C79.5Confident83.3Confident93 Ų9346.5 Ų46.563%0.62823%0.232SC*.Hα-helixtrans-64.7-20.6179.9-57.80000113.8R1190 L1191R1190-C1193 WeakPolarHBondContact O-CB 3.44Å; R1190-C1193 PolarHBondContact O-N 3.44Å; R1190-C1193 VanDerWaalsContact O-N 3.08Å; L1191-C1193 PolarHBondContact O-N 3.22Å
1194F81.7Confident82.9Confident18 Ų1848.2 Ų48.28%0.07924%0.241CC..Hα-helixtrans-122.7-8.3-173.9-44.5-63.8000112.9L1037 T1038 I1041 R1190 L1191 V1192 S1196 L1197 V1198L1037-F1194 HydrophobicContact CD2-CD2 4.26Å; L1037-F1194 HydrophobicContact CD2-CE2 3.51Å; L1037-F1194 HydrophobicContact CD2-CZ 3.99Å; L1037-F1194 HydrophobicContact CG-CE2 4.27Å; L1037-F1194 HydrophobicContact CG-CZ 4.45Å; T1038-F1194 WeakPolarHBondContact OG1-CE1 3.35Å; I1041-F1194 HydrophobicContact CD1-CB 4.1Å; I1041-F1194 HydrophobicContact CD1-CD1 4.39Å; I1041-F1194 HydrophobicContact CD1-CD2 3.82Å; I1041-F1194 HydrophobicContact CD1-CE2 4.41Å; I1041-F1194 HydrophobicContact CD1-CG 3.81Å; R1190-F1194 HydrophobicContact CB-CE2 4.07Å; R1190-F1194 WeakPolarHBondContact O-CD2 3.46Å; R1190-F1194 WeakPolarHBondContact O-CE2 3.36Å; L1191-F1194 CarbonylContact O-C 3.48Å; L1191-F1194 PolarHBondContact O-N 2.98Å; V1192-F1194 PolarHBondContact O-N 3.02Å; F1194-S1196 PolarHBondContact O-N 2.94Å; F1194-L1197 PolarHBondContact O-N 2.99Å; F1194-V1198 WeakPolarHBondContact O-CG2 3.41Å; F1194-V1198 PolarHBondContact O-N 2.93Å
1195W85Confident82.4Confident7 Ų748.6 Ų48.63%0.02724%0.243CC..Hα-helixtrans-62.8-42-168.4-179.9-120000113.3L1191 L1197 V1198 R1199 F1223 L1226 V1236 I1240L1191-W1195 HydrophobicContact CD1-CE3 4.19Å; L1191-W1195 HydrophobicContact CD2-CE3 4.41Å; L1191-W1195 HydrophobicContact CG-CE3 4.38Å; L1191-W1195 WeakPolarHBondContact O-CB 3.49Å; L1191-W1195 PolarHBondContact O-N 3.15Å; W1195-L1197 VanDerWaalsContact C-N 3.34Å; W1195-L1197 PolarHBondContact O-N 3.46Å; W1195-V1198 HydrophobicContact CE3-CB 4.43Å; W1195-V1198 HydrophobicContact CE3-CG1 4.36Å; W1195-V1198 HydrophobicContact CZ3-CG1 4.1Å; W1195-V1198 PolarHBondContact O-N 2.85Å; W1195-R1199 HydrophobicContact CD2-CB 4.32Å; W1195-R1199 HydrophobicContact CH2-CB 4.49Å; W1195-R1199 HydrophobicContact CZ2-CB 4.03Å; W1195-R1199 HydrophobicContact CZ2-CG 4.13Å; W1195-R1199 WeakPolarHBondContact O-CB 3.41Å; W1195-R1199 PolarHBondContact O-N 3.16Å; W1195-F1223 HydrophobicContact CH2-CD1 4.05Å; W1195-F1223 AromaticContact CH2-CE1 3.76Å; W1195-F1223 HydrophobicContact CH2-CE1 3.76Å; W1195-F1223 HydrophobicContact CZ2-CE1 4.31Å; W1195-L1226 HydrophobicContact CZ3-CD1 4.16Å; W1195-V1236 HydrophobicContact CB-CG2 4.45Å; W1195-V1236 HydrophobicContact CD2-CG1 3.65Å; W1195-V1236 HydrophobicContact CE3-CG1 4.18Å; W1195-V1236 HydrophobicContact CG-CG1 3.89Å; W1195-V1236 HydrophobicContact CG-CG2 4.11Å; W1195-V1236 HydrophobicContact CZ2-CG1 4.18Å; W1195-I1240 HydrophobicContact CH2-CD1 4.04Å; W1195-I1240 HydrophobicContact CH2-CG1 3.52Å; W1195-I1240 HydrophobicContact CZ2-CD1 4.22Å; W1195-I1240 HydrophobicContact CZ2-CG1 3.38Å
1196S79Confident82.1Confident85 Ų8546.1 Ų46.159%0.59423%0.231SC*.Hα-helixtrans-57.8-45.417851.50000112.4F1194 Y1200F1194-S1196 PolarHBondContact O-N 2.94Å; S1196-Y1200 WeakPolarHBondContact O-CB 3.48Å; S1196-Y1200 PolarHBondContact O-N 3.3Å; S1196-Y1200 VanDerWaalsContact O-N 3.09Å
1197L79.1Confident81.7Confident65 Ų6546.6 Ų46.634%0.3424%0.238SC..Hα-helixtrans-65.4-48.2177.6-177.267000111.7K1042 L1045 F1194 W1195 Y1200 Y1201K1042-L1197 HydrophobicContact CG-CD2 4.44Å; L1045-L1197 HydrophobicContact CD1-CD2 4.07Å; L1045-L1197 HydrophobicContact CD1-CG 3.94Å; F1194-L1197 PolarHBondContact O-N 2.99Å; W1195-L1197 VanDerWaalsContact C-N 3.34Å; W1195-L1197 PolarHBondContact O-N 3.46Å; L1197-Y1200 PolarHBondContact O-N 3.05Å; L1197-Y1201 HydrophobicContact CD1-CD2 4.13Å; L1197-Y1201 HydrophobicContact CD1-CE2 3.78Å; L1197-Y1201 WeakPolarHBondContact O-CD2 3.22Å; L1197-Y1201 PolarHBondContact O-N 2.92Å
1198V86.2Confident81Confident0 Ų050 Ų500%026%0.262CS..Hα-helixtrans-62.9-47.8179.1171.40000111I1041 L1045 L1184 F1194 W1195 Y1200 Y1201 L1202I1041-V1198 HydrophobicContact CG2-CG2 4.02Å; L1045-V1198 HydrophobicContact CD1-CG2 4.36Å; L1184-V1198 HydrophobicContact CD1-CG1 3.76Å; L1184-V1198 HydrophobicContact CD1-CG2 4.3Å; L1184-V1198 HydrophobicContact CD2-CG2 4.07Å; F1194-V1198 WeakPolarHBondContact O-CG2 3.41Å; F1194-V1198 PolarHBondContact O-N 2.93Å; W1195-V1198 HydrophobicContact CE3-CB 4.43Å; W1195-V1198 HydrophobicContact CE3-CG1 4.36Å; W1195-V1198 HydrophobicContact CZ3-CG1 4.1Å; W1195-V1198 PolarHBondContact O-N 2.85Å; V1198-Y1200 VanDerWaalsContact C-N 3.34Å; V1198-Y1200 PolarHBondContact O-N 3.34Å; V1198-Y1201 PolarHBondContact O-N 2.69Å; V1198-L1202 HydrophobicContact CG1-CD1 3.76Å; V1198-L1202 HydrophobicContact CG1-CG 4.21Å; V1198-L1202 WeakPolarHBondContact O-CG 3.29Å; V1198-L1202 PolarHBondContact O-N 3.32Å
1199R85.4Confident80.4Confident43 Ų4345.7 Ų45.716%0.16225%0.249CC..Hα-helixtrans-56-46.9178.4-176.6-179.2-179.5-157.6-10.3111.2W1195 L1202 V1203 T1243W1195-R1199 HydrophobicContact CD2-CB 4.32Å; W1195-R1199 HydrophobicContact CH2-CB 4.49Å; W1195-R1199 HydrophobicContact CZ2-CB 4.03Å; W1195-R1199 HydrophobicContact CZ2-CG 4.13Å; W1195-R1199 WeakPolarHBondContact O-CB 3.41Å; W1195-R1199 PolarHBondContact O-N 3.16Å; R1199-L1202 PolarHBondContact O-N 2.96Å; R1199-V1203 WeakPolarHBondContact O-CB 3.36Å; R1199-V1203 VanDerWaalsContact O-CG2 3.24Å; R1199-V1203 WeakPolarHBondContact O-CG2 3.31Å; R1199-V1203 PolarHBondContact O-N 3.45Å; R1199-T1243 VanDerWaalsContact CZ-OG1 3.27Å; R1199-T1243 PolarHBondContact NE-OG1 2.84Å; R1199-T1243 PolarHBondContact NH2-OG1 3.49Å
1200Y83.3Confident79.5Confident112 Ų11251.6 Ų51.644%0.43926%0.263SS..Hα-helixtrans-58.3-50.6178.2179.9-96.8000112.4I1065 S1196 L1197 V1198 V1203 D1204I1065-Y1200 HydrophobicContact CD1-CE2 4.44Å; S1196-Y1200 WeakPolarHBondContact O-CB 3.48Å; S1196-Y1200 PolarHBondContact O-N 3.3Å; S1196-Y1200 VanDerWaalsContact O-N 3.09Å; L1197-Y1200 PolarHBondContact O-N 3.05Å; V1198-Y1200 VanDerWaalsContact C-N 3.34Å; V1198-Y1200 PolarHBondContact O-N 3.34Å; Y1200-V1203 PolarHBondContact O-N 2.93Å; Y1200-D1204 WeakPolarHBondContact O-CB 3.09Å; Y1200-D1204 PolarHBondContact O-N 3.16Å
1201Y81.9Confident78.6Confident66 Ų6652.9 Ų52.926%0.25928%0.277SS..Hα-helixtrans-66.5-38-179.3-87.2-107.6000113.1L1045 L1197 V1198 L1205L1045-Y1201 HydrophobicContact CB-CD1 4.19Å; L1045-Y1201 HydrophobicContact CB-CE1 4.45Å; L1045-Y1201 HydrophobicContact CB-CG 4.49Å; L1045-Y1201 HydrophobicContact CD1-CD2 4.49Å; L1045-Y1201 HydrophobicContact CD2-CG 4.18Å; L1197-Y1201 HydrophobicContact CD1-CD2 4.13Å; L1197-Y1201 HydrophobicContact CD1-CE2 3.78Å; L1197-Y1201 WeakPolarHBondContact O-CD2 3.22Å; L1197-Y1201 PolarHBondContact O-N 2.92Å; V1198-Y1201 PolarHBondContact O-N 2.69Å; Y1201-L1205 WeakPolarHBondContact O-CB 3.33Å; Y1201-L1205 WeakPolarHBondContact O-CG 3.41Å; Y1201-L1205 PolarHBondContact O-N 2.98Å
1202L84.4Confident77.9Confident4 Ų455 Ų552%0.02129%0.291CS..Hα-helixtrans-70.9-30.7176.8-65.6-178.2000112.5L1177 V1198 R1199 L1205 L1206 V1219 F1223L1177-L1202 HydrophobicContact CD1-CD2 3.62Å; V1198-L1202 HydrophobicContact CG1-CD1 3.76Å; V1198-L1202 HydrophobicContact CG1-CG 4.21Å; V1198-L1202 WeakPolarHBondContact O-CG 3.29Å; V1198-L1202 PolarHBondContact O-N 3.32Å; R1199-L1202 PolarHBondContact O-N 2.96Å; L1202-L1205 HydrophobicContact CD2-CD1 4.29Å; L1202-L1206 WeakPolarHBondContact O-CG 3.26Å; L1202-L1206 PolarHBondContact O-N 2.79Å; L1202-V1219 HydrophobicContact CB-CG1 4.17Å; L1202-V1219 HydrophobicContact CD2-CG1 4.21Å; L1202-V1219 HydrophobicContact CD2-CG2 4.35Å; L1202-F1223 HydrophobicContact CB-CE1 4.38Å; L1202-F1223 HydrophobicContact CB-CE2 3.79Å; L1202-F1223 HydrophobicContact CB-CZ 3.48Å; L1202-F1223 VanDerWaalsContact CB-CZ 3.48Å; L1202-F1223 HydrophobicContact CD1-CE1 4.17Å; L1202-F1223 HydrophobicContact CD1-CE2 4.35Å; L1202-F1223 HydrophobicContact CD1-CZ 4Å; L1202-F1223 HydrophobicContact CG-CZ 4.41Å
1203V83Confident77.7Confident28 Ų2852.8 Ų52.817%0.1728%0.279CS..Hα-helixtrans-72-45.2172.6168.70000111.3R1199 Y1200 L1205 L1206 L1207 T1243R1199-V1203 WeakPolarHBondContact O-CB 3.36Å; R1199-V1203 VanDerWaalsContact O-CG2 3.24Å; R1199-V1203 WeakPolarHBondContact O-CG2 3.31Å; R1199-V1203 PolarHBondContact O-N 3.45Å; Y1200-V1203 PolarHBondContact O-N 2.93Å; V1203-L1205 VanDerWaalsContact C-N 3.3Å; V1203-L1205 PolarHBondContact O-N 2.76Å; V1203-L1206 PolarHBondContact O-N 3.27Å; V1203-L1207 HydrophobicContact CG1-CD1 3.62Å; V1203-L1207 HydrophobicContact CG1-CG 4.08Å; V1203-L1207 WeakPolarHBondContact O-CG 3.38Å; V1203-L1207 PolarHBondContact O-N 3Å; V1203-T1243 HydrophobicContact CG2-CG2 3.24Å
1204D79.9Confident77.5Confident36 Ų3650.1 Ų50.119%0.19326%0.258CS..Hα-helixtrans-57.9-40.4174.8173.796.7000112.1R1049 Y1200 L1206 S1208R1049-D1204 IonicContact CZ-OD1 3.58Å; R1049-D1204 IonicContact CZ-OD2 2.81Å; R1049-D1204 IonicContact NE-OD2 2.69Å; R1049-D1204 IonicContact NH1-OD1 3.38Å; R1049-D1204 IonicContact NH1-OD2 3.51Å; R1049-D1204 PolarHBondContact NH1-OD2 3.2Å; R1049-D1204 IonicContact NH2-OD1 3.9Å; R1049-D1204 PolarHBondContact NH2-OD1 3.44Å; R1049-D1204 IonicContact NH2-OD2 3.06Å; R1049-D1204 PolarHBondContact NH2-OD2 3.4Å; Y1200-D1204 WeakPolarHBondContact O-CB 3.09Å; Y1200-D1204 PolarHBondContact O-N 3.16Å; D1204-L1206 VanDerWaalsContact C-N 3.26Å; D1204-L1206 PolarHBondContact O-N 3.08Å; D1204-S1208 VanDerWaalsContact O-CB 3.27Å; D1204-S1208 WeakPolarHBondContact O-CB 3.42Å; D1204-S1208 PolarHBondContact O-N 3.26Å; D1204-S1208 PolarHBondContact O-OG 3.09Å
1205L77.9Confident77.4Confident12 Ų1249.6 Ų49.66%0.06326%0.256CS..Hα-helixtrans-62.8-26.8173.4-82.6168.2000114.3Y1201 L1202 V1203 I1215Y1201-L1205 WeakPolarHBondContact O-CB 3.33Å; Y1201-L1205 WeakPolarHBondContact O-CG 3.41Å; Y1201-L1205 PolarHBondContact O-N 2.98Å; L1202-L1205 HydrophobicContact CD2-CD1 4.29Å; V1203-L1205 VanDerWaalsContact C-N 3.3Å; V1203-L1205 PolarHBondContact O-N 2.76Å; L1205-I1215 HydrophobicContact CD2-CD1 4.18Å
1206L78.9Confident77.2Confident3 Ų349.3 Ų49.32%0.01626%0.255CS..Hα-helixtrans-90-43.6176.7-66171.3000111.6L1202 V1203 D1204 S1208 A1209 V1216 V1219 I1220 F1223 L1247 L1255L1202-L1206 WeakPolarHBondContact O-CG 3.26Å; L1202-L1206 PolarHBondContact O-N 2.79Å; V1203-L1206 PolarHBondContact O-N 3.27Å; D1204-L1206 VanDerWaalsContact C-N 3.26Å; D1204-L1206 PolarHBondContact O-N 3.08Å; L1206-S1208 VanDerWaalsContact C-N 3.26Å; L1206-S1208 PolarHBondContact O-N 3Å; L1206-A1209 VanDerWaalsContact O-CB 3.31Å; L1206-A1209 WeakPolarHBondContact O-CB 3.4Å; L1206-A1209 PolarHBondContact O-N 2.93Å; L1206-A1209 VanDerWaalsContact O-N 3.11Å; L1206-V1216 HydrophobicContact CD2-CB 4.2Å; L1206-V1216 HydrophobicContact CD2-CG1 3.79Å; L1206-V1216 HydrophobicContact CD2-CG2 4.22Å; L1206-V1219 HydrophobicContact CD1-CG1 3.75Å; L1206-V1219 HydrophobicContact CD2-CB 4.12Å; L1206-V1219 HydrophobicContact CD2-CG1 4.08Å; L1206-V1219 HydrophobicContact CG-CB 4.46Å; L1206-V1219 HydrophobicContact CG-CG1 3.91Å; L1206-I1220 HydrophobicContact CD1-CG1 4.37Å; L1206-I1220 HydrophobicContact CD2-CD1 4.31Å; L1206-I1220 HydrophobicContact CD2-CG1 4.27Å; L1206-F1223 HydrophobicContact CD1-CD2 4.47Å; L1206-F1223 HydrophobicContact CD1-CE2 3.92Å; L1206-L1247 HydrophobicContact CB-CD1 4.23Å; L1206-L1247 HydrophobicContact CB-CD2 3.7Å; L1206-L1247 HydrophobicContact CD1-CD2 3.36Å; L1206-L1247 HydrophobicContact CG-CD2 4.1Å; L1206-L1255 HydrophobicContact CB-CD2 4.39Å; L1206-L1255 HydrophobicContact CD2-CD2 4.33Å
1207L78Confident77.3Confident72 Ų7245.6 Ų45.638%0.37723%0.228SC..Hα-helixtrans-63.7-29.6177.1-71.3175.1000113V1203 A1209 L1247 H1251V1203-L1207 HydrophobicContact CG1-CD1 3.62Å; V1203-L1207 HydrophobicContact CG1-CG 4.08Å; V1203-L1207 WeakPolarHBondContact O-CG 3.38Å; V1203-L1207 PolarHBondContact O-N 3Å; L1207-A1209 VanDerWaalsContact C-N 3.32Å; L1207-L1247 HydrophobicContact CD2-CD1 3.52Å; L1207-L1247 HydrophobicContact CG-CD1 3.86Å; L1207-H1251 WeakPolarHBondContact CD2-NE2 3.42Å
1208S70.7Confident77.5Confident75 Ų7542.5 Ų42.552%0.52421%0.212SC..THydrogen-bonded Turntrans-81.9-6.4175.8590000114.2D1204 L1206 R1210D1204-S1208 VanDerWaalsContact O-CB 3.27Å; D1204-S1208 WeakPolarHBondContact O-CB 3.42Å; D1204-S1208 PolarHBondContact O-N 3.26Å; D1204-S1208 PolarHBondContact O-OG 3.09Å; L1206-S1208 VanDerWaalsContact C-N 3.26Å; L1206-S1208 PolarHBondContact O-N 3Å; S1208-R1210 PolarHBondContact O-N 3.34Å
1209A69.5Low77.6Confident14 Ų1442.5 Ų42.512%0.11621%0.212CC..  trans-79.2105.3-175.200000112.5L1206 L1207 S1211 V1216 L1255L1206-A1209 VanDerWaalsContact O-CB 3.31Å; L1206-A1209 WeakPolarHBondContact O-CB 3.4Å; L1206-A1209 PolarHBondContact O-N 2.93Å; L1206-A1209 VanDerWaalsContact O-N 3.11Å; L1207-A1209 VanDerWaalsContact C-N 3.32Å; A1209-S1211 PolarHBondContact O-N 3.12Å; A1209-V1216 HydrophobicContact CB-CG2 3.4Å; A1209-L1255 HydrophobicContact CB-CD2 4.28Å
1210R60.5Low77.5Confident234 Ų23440.5 Ų40.588%0.88321%0.205SC*.SBendtrans-71.2-9.5176.2-61.6-176.5-178.2-178.20.2114.5S1208S1208-R1210 PolarHBondContact O-N 3.34Å
1211S65.7Low77.6Confident61 Ų6135.1 Ų35.143%0.42718%0.184SC..SBendtrans-162155.5177.756.50000111.4A1209 S1213A1209-S1211 PolarHBondContact O-N 3.12Å; S1211-S1213 PolarHBondContact O-N 2.89Å
1212P66.6Low77.7Confident46 Ų4632.1 Ų32.130%0.29917%0.172SC..  trans-64.1104.8172.825.9-34.7000110.7Q1254 C1258 V1310P1212-Q1254 WeakPolarHBondContact CD-O 3.28Å; P1212-C1258 VanDerWaalsContact CD-SG 3.51Å; P1212-C1258 WeakPolarHBondContact CG-SG 3.3Å; P1212-V1310 HydrophobicContact CB-CG2 4.4Å
1213S75.2Confident77.8Confident34 Ų3431.9 Ų31.924%0.23817%0.171CC..  trans-110.7165.917951.40000110.8S1211 I1215 V1216 E1217S1211-S1213 PolarHBondContact O-N 2.89Å; S1213-I1215 PolarHBondContact O-N 3.42Å; S1213-I1215 VanDerWaalsContact O-N 3.17Å; S1213-I1215 WeakPolarHBondContact OG-CG2 3.33Å; S1213-V1216 WeakPolarHBondContact O-CB 3.32Å; S1213-V1216 PolarHBondContact O-N 2.84Å; S1213-V1216 WeakPolarHBondContact OG-CG2 3.4Å; S1213-E1217 PolarHBondContact O-N 3.4Å
1214L74.7Confident77.8Confident38 Ų3830.6 Ų30.620%0.19916%0.164CC..Hα-helixtrans-61.4-26.4-178.7-172.563.3000112.6V1174 E1217 R1218V1174-L1214 HydrophobicContact CG2-CD2 4.5Å; V1174-L1214 HydrophobicContact CG2-CG 4.13Å; L1214-E1217 WeakPolarHBondContact CD1-OE1 3.38Å; L1214-E1217 WeakPolarHBondContact O-CB 3.37Å; L1214-R1218 WeakPolarHBondContact O-CG 3.36Å; L1214-R1218 PolarHBondContact O-N 2.9Å; L1214-R1218 VanDerWaalsContact O-N 3.12Å
1215I80.7Confident78.1Confident7 Ų729.6 Ų29.64%0.03616%0.157CC..Hα-helixtrans-72.2-41.8173-167.8177.8000112.2R1173 V1174 L1177 L1205 S1213 E1217 R1218 V1219R1173-I1215 HydrophobicContact CB-CD1 3.67Å; V1174-I1215 HydrophobicContact CG2-CB 4.11Å; L1177-I1215 HydrophobicContact CD2-CG1 4.18Å; L1205-I1215 HydrophobicContact CD2-CD1 4.18Å; S1213-I1215 PolarHBondContact O-N 3.42Å; S1213-I1215 VanDerWaalsContact O-N 3.17Å; S1213-I1215 WeakPolarHBondContact OG-CG2 3.33Å; I1215-E1217 VanDerWaalsContact C-N 3.33Å; I1215-E1217 PolarHBondContact O-N 3.24Å; I1215-R1218 PolarHBondContact O-N 3.28Å; I1215-R1218 VanDerWaalsContact O-N 3.15Å; I1215-V1219 HydrophobicContact CG1-CG2 4.37Å; I1215-V1219 WeakPolarHBondContact O-CG2 3.34Å; I1215-V1219 PolarHBondContact O-N 2.94Å
1216V80.7Confident78.4Confident1 Ų129 Ų291%0.00615%0.154CC..Hα-helixtrans-58.6-46.9173.9169.90000110.7L1206 A1209 S1213 R1218 V1219 I1220 L1255 V1310L1206-V1216 HydrophobicContact CD2-CB 4.2Å; L1206-V1216 HydrophobicContact CD2-CG1 3.79Å; L1206-V1216 HydrophobicContact CD2-CG2 4.22Å; A1209-V1216 HydrophobicContact CB-CG2 3.4Å; S1213-V1216 WeakPolarHBondContact O-CB 3.32Å; S1213-V1216 PolarHBondContact O-N 2.84Å; S1213-V1216 WeakPolarHBondContact OG-CG2 3.4Å; V1216-R1218 VanDerWaalsContact C-N 3.32Å; V1216-R1218 PolarHBondContact O-N 3.35Å; V1216-V1219 PolarHBondContact O-N 3.44Å; V1216-I1220 HydrophobicContact CG1-CD1 4.2Å; V1216-I1220 PolarHBondContact O-N 2.91Å; V1216-L1255 HydrophobicContact CG1-CD2 3.88Å; V1216-V1310 HydrophobicContact CG1-CG2 4.07Å
1217E80.3Confident78.4Confident6 Ų628.9 Ų28.93%0.02815%0.153CC..Hα-helixtrans-50.6-51.3172.7-176.7-172113.900111S1213 L1214 I1215 I1220 V1221 R1309 Q1313S1213-E1217 PolarHBondContact O-N 3.4Å; L1214-E1217 WeakPolarHBondContact CD1-OE1 3.38Å; L1214-E1217 WeakPolarHBondContact O-CB 3.37Å; I1215-E1217 VanDerWaalsContact C-N 3.33Å; I1215-E1217 PolarHBondContact O-N 3.24Å; E1217-I1220 PolarHBondContact O-N 3.35Å; E1217-V1221 PolarHBondContact O-N 3.03Å; E1217-V1221 VanDerWaalsContact O-N 3.14Å; E1217-R1309 IonicContact OE1-NH1 3.65Å; E1217-R1309 PolarHBondContact OE1-NH1 2.84Å; E1217-R1309 WeakPolarHBondContact OE2-CD 3.23Å; E1217-R1309 IonicContact OE2-CZ 2.74Å; E1217-R1309 IonicContact OE2-NE 3.13Å; E1217-R1309 IonicContact OE2-NH1 2.72Å; E1217-R1309 PolarHBondContact OE2-NH1 2.9Å; E1217-Q1313 PolarHBondContact O-OE1 2.91Å; E1217-Q1313 PolarHBondContact OE1-NE2 3.43Å
1218R85.1Confident78.4Confident0 Ų027.2 Ų27.20%015%0.145CC..Hα-helixtrans-77.5-26.8-175.3-63.5-71.5146.5174.2-4114.4S863 Q864 D865 V1174 L1177 L1214 I1215 V1216 I1220 G1222S863-R1218 PolarHBondContact OG-NH1 2.93Å; S863-R1218 VanDerWaalsContact OG-NH1 3.08Å; Q864-R1218 PolarHBondContact O-NH1 2.9Å; D865-R1218 VanDerWaalsContact CG-NH2 3.32Å; D865-R1218 IonicContact OD1-NH2 3.87Å; D865-R1218 IonicContact OD2-CZ 3.31Å; D865-R1218 IonicContact OD2-NH1 3.05Å; D865-R1218 IonicContact OD2-NH2 2.74Å; D865-R1218 PolarHBondContact OD2-NH2 3.49Å; V1174-R1218 HydrophobicContact CG1-CB 4.35Å; V1174-R1218 HydrophobicContact CG1-CG 3.86Å; V1174-R1218 HydrophobicContact CG2-CB 4.41Å; V1174-R1218 HydrophobicContact CG2-CG 4.22Å; L1177-R1218 HydrophobicContact CD2-CB 3.96Å; L1214-R1218 WeakPolarHBondContact O-CG 3.36Å; L1214-R1218 PolarHBondContact O-N 2.9Å; L1214-R1218 VanDerWaalsContact O-N 3.12Å; I1215-R1218 PolarHBondContact O-N 3.28Å; I1215-R1218 VanDerWaalsContact O-N 3.15Å; V1216-R1218 VanDerWaalsContact C-N 3.32Å; V1216-R1218 PolarHBondContact O-N 3.35Å; R1218-I1220 VanDerWaalsContact C-N 3.32Å; R1218-G1222 PolarHBondContact O-N 3.43Å
1219V86.5Confident78.6Confident1 Ų125.7 Ų25.71%0.00613%0.133CC..Hα-helixtrans-64.3-42172171.80000109.8L1177 L1202 L1206 I1215 V1216 G1222 F1223L1177-V1219 HydrophobicContact CD1-CG2 4.1Å; L1177-V1219 HydrophobicContact CD2-CB 4.25Å; L1177-V1219 HydrophobicContact CD2-CG2 3.44Å; L1177-V1219 VanDerWaalsContact CD2-CG2 3.44Å; L1177-V1219 HydrophobicContact CG-CG2 4.42Å; L1202-V1219 HydrophobicContact CB-CG1 4.17Å; L1202-V1219 HydrophobicContact CD2-CG1 4.21Å; L1202-V1219 HydrophobicContact CD2-CG2 4.35Å; L1206-V1219 HydrophobicContact CD1-CG1 3.75Å; L1206-V1219 HydrophobicContact CD2-CB 4.12Å; L1206-V1219 HydrophobicContact CD2-CG1 4.08Å; L1206-V1219 HydrophobicContact CG-CB 4.46Å; L1206-V1219 HydrophobicContact CG-CG1 3.91Å; I1215-V1219 HydrophobicContact CG1-CG2 4.37Å; I1215-V1219 WeakPolarHBondContact O-CG2 3.34Å; I1215-V1219 PolarHBondContact O-N 2.94Å; V1216-V1219 PolarHBondContact O-N 3.44Å; V1219-G1222 WeakPolarHBondContact O-CA 3.44Å; V1219-G1222 PolarHBondContact O-N 2.84Å; V1219-G1222 VanDerWaalsContact O-N 3.12Å; V1219-F1223 HydrophobicContact CG1-CD2 3.78Å; V1219-F1223 HydrophobicContact CG1-CE2 3.58Å; V1219-F1223 WeakPolarHBondContact O-CD2 3.49Å; V1219-F1223 PolarHBondContact O-N 3.44Å
1220I84.4Confident78.8Confident0 Ų025.4 Ų25.40%013%0.13CC..Hα-helixtrans-68.8-42.4179.9-70.7170.8000111L1206 V1216 E1217 R1218 G1222 F1223 L1224 L1244 V1310 V1314L1206-I1220 HydrophobicContact CD1-CG1 4.37Å; L1206-I1220 HydrophobicContact CD2-CD1 4.31Å; L1206-I1220 HydrophobicContact CD2-CG1 4.27Å; V1216-I1220 HydrophobicContact CG1-CD1 4.2Å; V1216-I1220 PolarHBondContact O-N 2.91Å; E1217-I1220 PolarHBondContact O-N 3.35Å; R1218-I1220 VanDerWaalsContact C-N 3.32Å; I1220-G1222 PolarHBondContact O-N 3.45Å; I1220-F1223 PolarHBondContact O-N 3.29Å; I1220-L1224 HydrophobicContact CG2-CD1 4Å; I1220-L1224 WeakPolarHBondContact O-CD1 3.27Å; I1220-L1224 VanDerWaalsContact O-CG 3.29Å; I1220-L1224 WeakPolarHBondContact O-CG 3.43Å; I1220-L1224 PolarHBondContact O-N 3.11Å; I1220-L1244 HydrophobicContact CG1-CD2 4.28Å; I1220-V1310 HydrophobicContact CD1-CG1 3.43Å; I1220-V1310 VanDerWaalsContact CD1-CG1 3.43Å; I1220-V1314 HydrophobicContact CG2-CG2 3.48Å; I1220-V1314 VanDerWaalsContact CG2-CG2 3.48Å
1221V84.8Confident79.2Confident0 Ų014.4 Ų14.40%09%0.088CC..Hα-helixtrans-56.9-38.6167.8169.10000111.9F866 E1217 L1224 R1225 Q1313F866-V1221 HydrophobicContact CD2-CG2 4.13Å; F866-V1221 HydrophobicContact CE2-CB 4.48Å; F866-V1221 HydrophobicContact CE2-CG1 4.14Å; F866-V1221 HydrophobicContact CE2-CG2 4.27Å; E1217-V1221 PolarHBondContact O-N 3.03Å; E1217-V1221 VanDerWaalsContact O-N 3.14Å; V1221-L1224 PolarHBondContact O-N 3.34Å; V1221-R1225 HydrophobicContact CG1-CG 4.44Å; V1221-R1225 WeakPolarHBondContact O-CB 3.21Å; V1221-R1225 WeakPolarHBondContact O-CD 3.46Å; V1221-R1225 VanDerWaalsContact O-CG 3.3Å; V1221-R1225 WeakPolarHBondContact O-CG 3.27Å; V1221-R1225 PolarHBondContact O-N 3.46Å; V1221-Q1313 HydrophobicContact CG2-CB 4.21Å; V1221-Q1313 VanDerWaalsContact CG2-CD 3.5Å; V1221-Q1313 HydrophobicContact CG2-CG 4.22Å
1222G83.8Confident79Confident2 Ų217.2 Ų17.22%0.0219%0.09CC..Hα-helixtrans-61.8-50.817600000113.5R1218 V1219 I1220 L1224 R1225 L1226R1218-G1222 PolarHBondContact O-N 3.43Å; V1219-G1222 WeakPolarHBondContact O-CA 3.44Å; V1219-G1222 PolarHBondContact O-N 2.84Å; V1219-G1222 VanDerWaalsContact O-N 3.12Å; I1220-G1222 PolarHBondContact O-N 3.45Å; G1222-L1224 VanDerWaalsContact C-N 3.35Å; G1222-L1224 PolarHBondContact O-N 3.06Å; G1222-R1225 PolarHBondContact O-N 2.87Å; G1222-L1226 WeakPolarHBondContact O-CG 3.27Å; G1222-L1226 PolarHBondContact O-N 3.46Å
1223F86.5Confident78.4Confident0 Ų024.3 Ų24.30%011%0.111CC..Hα-helixtrans-57.8-46174.9-81.1-66.1000111.8W1195 L1202 L1206 V1219 I1220 R1225 L1226 A1227 I1240 T1243 L1244W1195-F1223 HydrophobicContact CH2-CD1 4.05Å; W1195-F1223 AromaticContact CH2-CE1 3.76Å; W1195-F1223 HydrophobicContact CH2-CE1 3.76Å; W1195-F1223 HydrophobicContact CZ2-CE1 4.31Å; L1202-F1223 HydrophobicContact CB-CE1 4.38Å; L1202-F1223 HydrophobicContact CB-CE2 3.79Å; L1202-F1223 HydrophobicContact CB-CZ 3.48Å; L1202-F1223 VanDerWaalsContact CB-CZ 3.48Å; L1202-F1223 HydrophobicContact CD1-CE1 4.17Å; L1202-F1223 HydrophobicContact CD1-CE2 4.35Å; L1202-F1223 HydrophobicContact CD1-CZ 4Å; L1202-F1223 HydrophobicContact CG-CZ 4.41Å; L1206-F1223 HydrophobicContact CD1-CD2 4.47Å; L1206-F1223 HydrophobicContact CD1-CE2 3.92Å; V1219-F1223 HydrophobicContact CG1-CD2 3.78Å; V1219-F1223 HydrophobicContact CG1-CE2 3.58Å; V1219-F1223 WeakPolarHBondContact O-CD2 3.49Å; V1219-F1223 PolarHBondContact O-N 3.44Å; I1220-F1223 PolarHBondContact O-N 3.29Å; F1223-R1225 PolarHBondContact O-N 3.33Å; F1223-L1226 PolarHBondContact O-N 2.83Å; F1223-A1227 PolarHBondContact O-N 3.48Å; F1223-I1240 HydrophobicContact CB-CG2 3.96Å; F1223-I1240 HydrophobicContact CD1-CG1 4.34Å; F1223-I1240 HydrophobicContact CD1-CG2 3.93Å; F1223-I1240 HydrophobicContact CG-CG2 4.38Å; F1223-T1243 HydrophobicContact CZ-CG2 4.47Å; F1223-L1244 HydrophobicContact CB-CD1 3.89Å; F1223-L1244 HydrophobicContact CB-CD2 4.08Å; F1223-L1244 HydrophobicContact CB-CG 4.14Å; F1223-L1244 HydrophobicContact CD2-CD2 3.88Å; F1223-L1244 HydrophobicContact CG-CD2 4.16Å; F1223-L1244 HydrophobicContact CG-CG 4.37Å
1224L84Confident77.8Confident1 Ų126.4 Ų26.41%0.00512%0.116CC..Hα-helixtrans-62.3-42.1179-67.4160.1000112F866 I1220 V1221 G1222 A1227 I1228 L1244 Q1313 L1318F866-L1224 HydrophobicContact CE2-CB 4.12Å; F866-L1224 HydrophobicContact CE2-CD1 4.21Å; F866-L1224 HydrophobicContact CZ-CB 4.42Å; I1220-L1224 HydrophobicContact CG2-CD1 4Å; I1220-L1224 WeakPolarHBondContact O-CD1 3.27Å; I1220-L1224 VanDerWaalsContact O-CG 3.29Å; I1220-L1224 WeakPolarHBondContact O-CG 3.43Å; I1220-L1224 PolarHBondContact O-N 3.11Å; V1221-L1224 PolarHBondContact O-N 3.34Å; G1222-L1224 VanDerWaalsContact C-N 3.35Å; G1222-L1224 PolarHBondContact O-N 3.06Å; L1224-A1227 PolarHBondContact O-N 2.94Å; L1224-I1228 VanDerWaalsContact O-CG1 3.31Å; L1224-I1228 WeakPolarHBondContact O-CG1 3.29Å; L1224-I1228 PolarHBondContact O-N 3.04Å; L1224-L1244 HydrophobicContact CD2-CD1 4.34Å; L1224-L1244 HydrophobicContact CG-CD1 4.49Å; L1224-Q1313 WeakPolarHBondContact CD1-O 3.43Å; L1224-L1318 HydrophobicContact CD2-CD2 4.26Å; L1224-L1318 HydrophobicContact CD2-CG 4.32Å
1225R85.8Confident77.2Confident14 Ų1432.1 Ų32.15%0.05314%0.142CC..Hα-helixtrans-65.9-36.8175.6-76.5161.663.4-169.5-7.7113.1F866 E1178 M1185 V1221 G1222 F1223 C1229F866-R1225 HydrophobicContact CZ-CG 4.36Å; E1178-R1225 IonicContact OE1-NH1 3.65Å; E1178-R1225 PolarHBondContact OE1-NH1 2.92Å; E1178-R1225 IonicContact OE2-CZ 2.77Å; E1178-R1225 IonicContact OE2-NH1 3.36Å; E1178-R1225 PolarHBondContact OE2-NH1 3.26Å; E1178-R1225 IonicContact OE2-NH2 3.28Å; E1178-R1225 PolarHBondContact OE2-NH2 2.8Å; E1178-R1225 VanDerWaalsContact OE2-NH2 3.16Å; M1185-R1225 HydrophobicContact SD-CB 4.43Å; V1221-R1225 HydrophobicContact CG1-CG 4.44Å; V1221-R1225 WeakPolarHBondContact O-CB 3.21Å; V1221-R1225 WeakPolarHBondContact O-CD 3.46Å; V1221-R1225 VanDerWaalsContact O-CG 3.3Å; V1221-R1225 WeakPolarHBondContact O-CG 3.27Å; V1221-R1225 PolarHBondContact O-N 3.46Å; G1222-R1225 PolarHBondContact O-N 2.87Å; F1223-R1225 PolarHBondContact O-N 3.33Å; R1225-C1229 VanDerWaalsContact O-CB 3.26Å; R1225-C1229 WeakPolarHBondContact O-CB 3.35Å; R1225-C1229 PolarHBondContact O-N 3.35Å
1226L83.4Confident76.8Confident1 Ų132 Ų321%0.00514%0.142CC..Hα-helixtrans-65.5-44.5173.4-70.2170.1000110.5L1184 M1185 W1195 G1222 F1223 I1228 C1229 L1230 I1240L1184-L1226 HydrophobicContact CB-CD2 3.93Å; L1184-L1226 HydrophobicContact CD1-CD1 4.35Å; M1185-L1226 HydrophobicContact CG-CD2 4.02Å; W1195-L1226 HydrophobicContact CZ3-CD1 4.16Å; G1222-L1226 WeakPolarHBondContact O-CG 3.27Å; G1222-L1226 PolarHBondContact O-N 3.46Å; F1223-L1226 PolarHBondContact O-N 2.83Å; L1226-I1228 PolarHBondContact O-N 3.15Å; L1226-C1229 PolarHBondContact O-N 3.47Å; L1226-C1229 VanDerWaalsContact O-N 3.16Å; L1226-L1230 HydrophobicContact CB-CD1 4.25Å; L1226-L1230 VanDerWaalsContact O-CB 3.31Å; L1226-L1230 WeakPolarHBondContact O-CB 3.27Å; L1226-L1230 WeakPolarHBondContact O-CD1 3.47Å; L1226-L1230 WeakPolarHBondContact O-CG 3.23Å; L1226-L1230 PolarHBondContact O-N 3.22Å; L1226-I1240 HydrophobicContact CB-CD1 3.86Å
1227A79.9Confident76.5Confident0 Ų032 Ų320%014%0.142CC..Hα-helixtrans-58.5-46.9174.700000112.5F1223 L1224 C1229 L1230 L1231 I1240 F1241 L1321F1223-A1227 PolarHBondContact O-N 3.48Å; L1224-A1227 PolarHBondContact O-N 2.94Å; A1227-C1229 VanDerWaalsContact C-N 3.32Å; A1227-C1229 PolarHBondContact O-N 2.99Å; A1227-L1230 PolarHBondContact O-N 3.4Å; A1227-L1231 WeakPolarHBondContact O-CB 3.41Å; A1227-L1231 PolarHBondContact O-N 3.11Å; A1227-I1240 HydrophobicContact CB-CG2 4.13Å; A1227-F1241 HydrophobicContact CB-CE1 4.24Å; A1227-F1241 HydrophobicContact CB-CZ 4.08Å; A1227-L1321 HydrophobicContact CB-CD1 4.06Å
1228I77.8Confident76.2Confident37 Ų3733.2 Ų33.219%0.1915%0.151CC..Hα-helixtrans-58.2-42.4174.3-66.2168.8000111.3F866 L1224 L1226 L1321F866-I1228 HydrophobicContact CE1-CD1 4.45Å; F866-I1228 HydrophobicContact CZ-CD1 4.27Å; L1224-I1228 VanDerWaalsContact O-CG1 3.31Å; L1224-I1228 WeakPolarHBondContact O-CG1 3.29Å; L1224-I1228 PolarHBondContact O-N 3.04Å; L1226-I1228 PolarHBondContact O-N 3.15Å; I1228-L1321 HydrophobicContact CD1-CB 4.31Å; I1228-L1321 HydrophobicContact CG1-CB 3.82Å; I1228-L1321 HydrophobicContact CG1-CD1 3.82Å; I1228-L1321 HydrophobicContact CG1-CG 4.06Å
1229C75.8Confident75.9Confident43 Ų4336.1 Ų36.129%0.29116%0.164SC..Hα-helixtrans-73.9-30.5-176.5-167.30000113.7M1185 R1225 L1226 A1227M1185-C1229 HydrophobicContact CG-CB 4.24Å; R1225-C1229 VanDerWaalsContact O-CB 3.26Å; R1225-C1229 WeakPolarHBondContact O-CB 3.35Å; R1225-C1229 PolarHBondContact O-N 3.35Å; L1226-C1229 PolarHBondContact O-N 3.47Å; L1226-C1229 VanDerWaalsContact O-N 3.16Å; A1227-C1229 VanDerWaalsContact C-N 3.32Å; A1227-C1229 PolarHBondContact O-N 2.99Å
1230L72.8Confident75.6Confident8 Ų836 Ų364%0.04216%0.164CC..Hα-helixtrans-94.3-15.1-174.9-64.8165000113.6R1188 L1191 L1226 A1227 R1232 R1233 V1236 I1240R1188-L1230 HydrophobicContact CB-CD2 4.11Å; L1191-L1230 HydrophobicContact CD2-CD1 3.37Å; L1191-L1230 HydrophobicContact CD2-CD2 3.65Å; L1191-L1230 HydrophobicContact CD2-CG 4.09Å; L1226-L1230 HydrophobicContact CB-CD1 4.25Å; L1226-L1230 VanDerWaalsContact O-CB 3.31Å; L1226-L1230 WeakPolarHBondContact O-CB 3.27Å; L1226-L1230 WeakPolarHBondContact O-CD1 3.47Å; L1226-L1230 WeakPolarHBondContact O-CG 3.23Å; L1226-L1230 PolarHBondContact O-N 3.22Å; A1227-L1230 PolarHBondContact O-N 3.4Å; L1230-R1232 PolarHBondContact O-N 2.82Å; L1230-R1233 CarbonylContact O-C 3.56Å; L1230-R1233 PolarHBondContact O-N 3.33Å; L1230-V1236 HydrophobicContact CD1-CB 4.42Å; L1230-V1236 HydrophobicContact CD1-CG1 3.75Å; L1230-I1240 HydrophobicContact CD1-CD1 3.85Å
1231L69.9Low75.5Confident2 Ų236 Ų361%0.0116%0.164CC..THydrogen-bonded Turntrans-42.1-36.9-168.3-133.6149.3000115.7A1227 L1321 H1325 D1328 L1329 P1330A1227-L1231 WeakPolarHBondContact O-CB 3.41Å; A1227-L1231 PolarHBondContact O-N 3.11Å; L1231-L1321 HydrophobicContact CD1-CD1 3.69Å; L1231-L1321 HydrophobicContact CD1-CD2 3.84Å; L1231-L1321 HydrophobicContact CD1-CG 3.52Å; L1231-H1325 HydrophobicContact CD1-CB 3.58Å; L1231-H1325 HydrophobicContact CD2-CB 4.1Å; L1231-H1325 HydrophobicContact CG-CB 4.37Å; L1231-D1328 VanDerWaalsContact CD2-C 3.43Å; L1231-D1328 HydrophobicContact CD2-CB 3.68Å; L1231-D1328 WeakPolarHBondContact CD2-O 3.39Å; L1231-D1328 VanDerWaalsContact O-O 3.13Å; L1231-L1329 HydrophobicContact CD2-CD2 3.89Å; L1231-L1329 HydrophobicContact CD2-CG 4.2Å; L1231-L1329 HydrophobicContact CG-CD2 4.48Å; L1231-P1330 WeakPolarHBondContact O-CD 3.38Å; L1231-P1330 VanDerWaalsContact O-CG 3.24Å; L1231-P1330 WeakPolarHBondContact O-CG 3.45Å
1232R61.5Low75.3Confident121 Ų12137.8 Ų37.846%0.45718%0.178SC..THydrogen-bonded Turntrans-77.8-12.8-179.6-69.2-179173151.75.2116.5L1230 D1328L1230-R1232 PolarHBondContact O-N 2.82Å; R1232-D1328 HydrophobicContact CG-CB 4.22Å; R1232-D1328 IonicContact CZ-OD2 3.39Å; R1232-D1328 IonicContact NE-OD1 3.89Å; R1232-D1328 IonicContact NE-OD2 3.7Å; R1232-D1328 PolarHBondContact NE-OD2 2.79Å; R1232-D1328 IonicContact NH2-OD1 3.69Å; R1232-D1328 IonicContact NH2-OD2 2.71Å; R1232-D1328 PolarHBondContact NH2-OD2 2.94Å
1233R53.1Low75.2Confident195 Ų19537.9 Ų37.974%0.73618%0.179SC*.SBendtrans-156.4148.7178.5-66.5-167.9177.6-177.6-2.2112.4L1230L1230-R1233 CarbonylContact O-C 3.56Å; L1230-R1233 PolarHBondContact O-N 3.33Å
1234H62.5Low74.9Confident78 Ų7837.9 Ų37.936%0.36118%0.179SC..  trans89.9138.5171.4-52.1-81.6000117.5V1236 T1237H1234-V1236 HydrophobicContact CB-CB 4.25Å; H1234-V1236 HydrophobicContact CB-CG2 4.2Å; H1234-V1236 PolarHBondContact O-N 2.74Å; H1234-T1237 PolarHBondContact O-N 3.35Å
1235E62.8Low75Confident158 Ų15840.6 Ų40.674%0.73819%0.189SC*.THydrogen-bonded Turntrans-56.1-3.9167.7-58.9159.5-171.800114.4S1238 Q1239E1235-S1238 PolarHBondContact O-OG 3.46Å; E1235-Q1239 WeakPolarHBondContact O-CG 3.31Å; E1235-Q1239 PolarHBondContact O-NE2 3.48Å
1236V72.3Confident74.7Confident5 Ų544.7 Ų44.73%0.0321%0.205CC..Hα-helixtrans-76.2-31.8-179.3173.80000111.3L1191 V1192 W1195 L1230 H1234 Q1239 I1240L1191-V1236 HydrophobicContact CD2-CG1 4.06Å; V1192-V1236 HydrophobicContact CG2-CG2 4.25Å; W1195-V1236 HydrophobicContact CB-CG2 4.45Å; W1195-V1236 HydrophobicContact CD2-CG1 3.65Å; W1195-V1236 HydrophobicContact CE3-CG1 4.18Å; W1195-V1236 HydrophobicContact CG-CG1 3.89Å; W1195-V1236 HydrophobicContact CG-CG2 4.11Å; W1195-V1236 HydrophobicContact CZ2-CG1 4.18Å; L1230-V1236 HydrophobicContact CD1-CB 4.42Å; L1230-V1236 HydrophobicContact CD1-CG1 3.75Å; H1234-V1236 HydrophobicContact CB-CB 4.25Å; H1234-V1236 HydrophobicContact CB-CG2 4.2Å; H1234-V1236 PolarHBondContact O-N 2.74Å; V1236-Q1239 WeakPolarHBondContact O-CB 3.38Å; V1236-Q1239 PolarHBondContact O-N 3.49Å; V1236-I1240 HydrophobicContact CG1-CD1 4.05Å; V1236-I1240 HydrophobicContact CG1-CG1 4.36Å; V1236-I1240 WeakPolarHBondContact O-CG1 3.47Å; V1236-I1240 PolarHBondContact O-N 3.39Å
1237T74.6Confident74.3Confident0 Ų044.8 Ų44.80%021%0.205CC..Hα-helixtrans-64.5-48.7-176.3-55.80000111.8H1234 Q1239 I1240 F1241H1234-T1237 PolarHBondContact O-N 3.35Å; T1237-Q1239 VanDerWaalsContact C-N 3.31Å; T1237-Q1239 PolarHBondContact O-N 3.47Å; T1237-I1240 WeakPolarHBondContact O-CB 3.41Å; T1237-I1240 PolarHBondContact O-N 3.48Å; T1237-I1240 VanDerWaalsContact O-N 3.11Å; T1237-F1241 HydrophobicContact CG2-CD2 4.17Å; T1237-F1241 HydrophobicContact CG2-CE2 3.75Å; T1237-F1241 WeakPolarHBondContact O-CD2 3.39Å; T1237-F1241 PolarHBondContact O-N 2.89Å; T1237-F1241 VanDerWaalsContact O-N 3.14Å
1238S73.5Confident74.3Confident32 Ų3244.9 Ų44.922%0.22421%0.205CC..Hα-helixtrans-64.1-35.4174.959.70000112.1E1235 I1240 F1241 A1242 D1335E1235-S1238 PolarHBondContact O-OG 3.46Å; S1238-I1240 VanDerWaalsContact C-N 3.35Å; S1238-I1240 PolarHBondContact O-N 3.45Å; S1238-F1241 PolarHBondContact O-N 3.12Å; S1238-A1242 VanDerWaalsContact O-CB 3.23Å; S1238-A1242 WeakPolarHBondContact O-CB 3.26Å; S1238-A1242 PolarHBondContact O-N 3.24Å; S1238-D1335 WeakPolarHBondContact CA-OD1 3.05Å; S1238-D1335 WeakPolarHBondContact CB-OD1 3.31Å
1239Q77.9Confident74.3Confident60 Ų6044.7 Ų44.728%0.2821%0.205SC..Hα-helixtrans-63.9-35.1171.9-71.218047.500113.3E1235 V1236 T1237 T1243E1235-Q1239 WeakPolarHBondContact O-CG 3.31Å; E1235-Q1239 PolarHBondContact O-NE2 3.48Å; V1236-Q1239 WeakPolarHBondContact O-CB 3.38Å; V1236-Q1239 PolarHBondContact O-N 3.49Å; T1237-Q1239 VanDerWaalsContact C-N 3.31Å; T1237-Q1239 PolarHBondContact O-N 3.47Å; Q1239-T1243 VanDerWaalsContact O-CB 3.26Å; Q1239-T1243 WeakPolarHBondContact O-CB 3.46Å; Q1239-T1243 PolarHBondContact O-N 3.41Å; Q1239-T1243 PolarHBondContact O-OG1 3.12Å
1240I80.3Confident74.2Confident0 Ų046.4 Ų46.40%021%0.211CC..Hα-helixtrans-63.5-52.2174.1-71.1164.9000109.6W1195 F1223 L1226 A1227 L1230 V1236 T1237 S1238 A1242 T1243 L1244W1195-I1240 HydrophobicContact CH2-CD1 4.04Å; W1195-I1240 HydrophobicContact CH2-CG1 3.52Å; W1195-I1240 HydrophobicContact CZ2-CD1 4.22Å; W1195-I1240 HydrophobicContact CZ2-CG1 3.38Å; F1223-I1240 HydrophobicContact CB-CG2 3.96Å; F1223-I1240 HydrophobicContact CD1-CG1 4.34Å; F1223-I1240 HydrophobicContact CD1-CG2 3.93Å; F1223-I1240 HydrophobicContact CG-CG2 4.38Å; L1226-I1240 HydrophobicContact CB-CD1 3.86Å; A1227-I1240 HydrophobicContact CB-CG2 4.13Å; L1230-I1240 HydrophobicContact CD1-CD1 3.85Å; V1236-I1240 HydrophobicContact CG1-CD1 4.05Å; V1236-I1240 HydrophobicContact CG1-CG1 4.36Å; V1236-I1240 WeakPolarHBondContact O-CG1 3.47Å; V1236-I1240 PolarHBondContact O-N 3.39Å; T1237-I1240 WeakPolarHBondContact O-CB 3.41Å; T1237-I1240 PolarHBondContact O-N 3.48Å; T1237-I1240 VanDerWaalsContact O-N 3.11Å; S1238-I1240 VanDerWaalsContact C-N 3.35Å; S1238-I1240 PolarHBondContact O-N 3.45Å; I1240-A1242 PolarHBondContact O-N 3.32Å; I1240-T1243 PolarHBondContact O-N 3.45Å; I1240-L1244 HydrophobicContact CG2-CD1 4.32Å; I1240-L1244 PolarHBondContact O-N 3.03Å
1241F82Confident74.1Confident0 Ų048.5 Ų48.50%022%0.221CC..Hα-helixtrans-62.2-43.9179.7-68.7-54.7000112.3A1227 T1237 S1238 T1243 L1244 Y1245 L1318 L1321 L1338 I1339 L1342A1227-F1241 HydrophobicContact CB-CE1 4.24Å; A1227-F1241 HydrophobicContact CB-CZ 4.08Å; T1237-F1241 HydrophobicContact CG2-CD2 4.17Å; T1237-F1241 HydrophobicContact CG2-CE2 3.75Å; T1237-F1241 WeakPolarHBondContact O-CD2 3.39Å; T1237-F1241 PolarHBondContact O-N 2.89Å; T1237-F1241 VanDerWaalsContact O-N 3.14Å; S1238-F1241 PolarHBondContact O-N 3.12Å; F1241-T1243 VanDerWaalsContact C-N 3.27Å; F1241-T1243 PolarHBondContact O-N 2.73Å; F1241-L1244 PolarHBondContact O-N 3.16Å; F1241-Y1245 WeakPolarHBondContact O-CB 3.44Å; F1241-Y1245 PolarHBondContact O-N 3.12Å; F1241-L1318 HydrophobicContact CE1-CD2 3.91Å; F1241-L1321 HydrophobicContact CE1-CD1 4.17Å; F1241-L1321 HydrophobicContact CZ-CD1 3.6Å; F1241-L1321 HydrophobicContact CZ-CD2 4.28Å; F1241-L1338 HydrophobicContact CB-CB 3.82Å; F1241-L1338 HydrophobicContact CB-CD1 3.88Å; F1241-L1338 HydrophobicContact CB-CG 4.47Å; F1241-I1339 HydrophobicContact CD1-CG1 4.37Å; F1241-I1339 HydrophobicContact CE1-CG1 4.08Å; F1241-I1339 HydrophobicContact CE2-CD1 4.13Å; F1241-I1339 HydrophobicContact CE2-CG1 4.34Å; F1241-I1339 HydrophobicContact CZ-CD1 3.98Å; F1241-I1339 HydrophobicContact CZ-CG1 4.05Å; F1241-L1342 HydrophobicContact CD1-CD1 4.09Å
1242A81.1Confident74Confident36 Ų3648.9 Ų48.930%0.29823%0.225SC..Hα-helixtrans-61.8-36.7177.500000112.1S1238 I1240 W1246 L1338S1238-A1242 VanDerWaalsContact O-CB 3.23Å; S1238-A1242 WeakPolarHBondContact O-CB 3.26Å; S1238-A1242 PolarHBondContact O-N 3.24Å; I1240-A1242 PolarHBondContact O-N 3.32Å; A1242-W1246 VanDerWaalsContact O-CB 3.28Å; A1242-W1246 WeakPolarHBondContact O-CB 3.49Å; A1242-W1246 PolarHBondContact O-N 3.17Å; A1242-L1338 HydrophobicContact CB-CD1 3.93Å; A1242-L1338 HydrophobicContact CB-CD2 4.29Å
1243T81.7Confident74.1Confident5 Ų547.9 Ų47.93%0.03123%0.225CC..Hα-helixtrans-68.8-47.5176.5-58.20000111.7R1199 V1203 F1223 Q1239 I1240 F1241 L1247R1199-T1243 VanDerWaalsContact CZ-OG1 3.27Å; R1199-T1243 PolarHBondContact NE-OG1 2.84Å; R1199-T1243 PolarHBondContact NH2-OG1 3.49Å; V1203-T1243 HydrophobicContact CG2-CG2 3.24Å; F1223-T1243 HydrophobicContact CZ-CG2 4.47Å; Q1239-T1243 VanDerWaalsContact O-CB 3.26Å; Q1239-T1243 WeakPolarHBondContact O-CB 3.46Å; Q1239-T1243 PolarHBondContact O-N 3.41Å; Q1239-T1243 PolarHBondContact O-OG1 3.12Å; I1240-T1243 PolarHBondContact O-N 3.45Å; F1241-T1243 VanDerWaalsContact C-N 3.27Å; F1241-T1243 PolarHBondContact O-N 2.73Å; T1243-L1247 WeakPolarHBondContact O-CB 3.3Å; T1243-L1247 PolarHBondContact O-N 3.4Å; T1243-L1247 VanDerWaalsContact O-N 3.11Å
1244L81.5Confident74.8Confident0 Ų043.9 Ų43.90%022%0.215CC..Hα-helixtrans-62.1-45.4175.7-74.9176.6000111.5I1220 F1223 L1224 I1240 F1241 L1248 L1342I1220-L1244 HydrophobicContact CG1-CD2 4.28Å; F1223-L1244 HydrophobicContact CB-CD1 3.89Å; F1223-L1244 HydrophobicContact CB-CD2 4.08Å; F1223-L1244 HydrophobicContact CB-CG 4.14Å; F1223-L1244 HydrophobicContact CD2-CD2 3.88Å; F1223-L1244 HydrophobicContact CG-CD2 4.16Å; F1223-L1244 HydrophobicContact CG-CG 4.37Å; L1224-L1244 HydrophobicContact CD2-CD1 4.34Å; L1224-L1244 HydrophobicContact CG-CD1 4.49Å; I1240-L1244 HydrophobicContact CG2-CD1 4.32Å; I1240-L1244 PolarHBondContact O-N 3.03Å; F1241-L1244 PolarHBondContact O-N 3.16Å; L1244-L1248 VanDerWaalsContact O-CB 3.29Å; L1244-L1248 WeakPolarHBondContact O-CB 3.22Å; L1244-L1248 VanDerWaalsContact O-CG 3.27Å; L1244-L1248 WeakPolarHBondContact O-CG 3.23Å; L1244-L1248 PolarHBondContact O-N 2.72Å; L1244-L1342 HydrophobicContact CB-CD1 4.25Å; L1244-L1342 HydrophobicContact CB-CD2 4.07Å
1245Y84.5Confident75Confident58 Ų5840.2 Ų40.223%0.22720%0.198CC..Hα-helixtrans-61.6-55.3-179.1174.9-103.7000111.6F1241 L1247 L1248 L1249 L1338 L1342 I1345F1241-Y1245 WeakPolarHBondContact O-CB 3.44Å; F1241-Y1245 PolarHBondContact O-N 3.12Å; Y1245-L1247 VanDerWaalsContact C-N 3.32Å; Y1245-L1247 PolarHBondContact O-N 2.88Å; Y1245-L1248 PolarHBondContact O-N 2.84Å; Y1245-L1249 HydrophobicContact CE1-CD2 4.07Å; Y1245-L1249 WeakPolarHBondContact O-CB 3.35Å; Y1245-L1249 PolarHBondContact O-N 2.63Å; Y1245-L1338 HydrophobicContact CD1-CD2 3.67Å; Y1245-L1338 HydrophobicContact CE1-CD2 4.44Å; Y1245-L1338 HydrophobicContact CG-CD2 3.81Å; Y1245-L1342 HydrophobicContact CD2-CG 4.5Å; Y1245-I1345 HydrophobicContact CD2-CD1 3.5Å; Y1245-I1345 HydrophobicContact CE2-CD1 3.54Å; Y1245-I1345 HydrophobicContact CG-CD1 4.46Å
1246W80Confident75.3Confident100 Ų10033.1 Ų33.138%0.37917%0.165SC..Hα-helixtrans-60.1-42.6-179.7-178.591000112A1242 N1250A1242-W1246 VanDerWaalsContact O-CB 3.28Å; A1242-W1246 WeakPolarHBondContact O-CB 3.49Å; A1242-W1246 PolarHBondContact O-N 3.17Å; W1246-N1250 PolarHBondContact O-N 2.74Å; W1246-N1250 PolarHBondContact O-ND2 2.98Å
1247L75.5Confident74.6Confident2 Ų234.7 Ų34.71%0.0117%0.171CC..Hα-helixtrans-63.5-49.4178.518085.1000111.7L1206 L1207 T1243 Y1245 N1250 H1251 L1255L1206-L1247 HydrophobicContact CB-CD1 4.23Å; L1206-L1247 HydrophobicContact CB-CD2 3.7Å; L1206-L1247 HydrophobicContact CD1-CD2 3.36Å; L1206-L1247 HydrophobicContact CG-CD2 4.1Å; L1207-L1247 HydrophobicContact CD2-CD1 3.52Å; L1207-L1247 HydrophobicContact CG-CD1 3.86Å; T1243-L1247 WeakPolarHBondContact O-CB 3.3Å; T1243-L1247 PolarHBondContact O-N 3.4Å; T1243-L1247 VanDerWaalsContact O-N 3.11Å; Y1245-L1247 VanDerWaalsContact C-N 3.32Å; Y1245-L1247 PolarHBondContact O-N 2.88Å; L1247-N1250 PolarHBondContact O-N 2.9Å; L1247-H1251 WeakPolarHBondContact O-CA 3.43Å; L1247-H1251 WeakPolarHBondContact O-CB 3.49Å; L1247-H1251 PolarHBondContact O-N 3.49Å; L1247-L1255 HydrophobicContact CD1-CD1 4.25Å; L1247-L1255 HydrophobicContact CD2-CD1 3.68Å; L1247-L1255 HydrophobicContact CG-CD1 3.67Å
1248L78.5Confident73.1Confident2 Ų238.7 Ų38.71%0.0120%0.198CC..Hα-helixtrans-74-27.2-176.9-67.5167.8000112.3L1244 Y1245 G1252 L1255 M1256 V1314 L1342 I1345L1244-L1248 VanDerWaalsContact O-CB 3.29Å; L1244-L1248 WeakPolarHBondContact O-CB 3.22Å; L1244-L1248 VanDerWaalsContact O-CG 3.27Å; L1244-L1248 WeakPolarHBondContact O-CG 3.23Å; L1244-L1248 PolarHBondContact O-N 2.72Å; Y1245-L1248 PolarHBondContact O-N 2.84Å; L1248-G1252 WeakPolarHBondContact O-CA 3.48Å; L1248-G1252 PolarHBondContact O-N 2.7Å; L1248-L1255 HydrophobicContact CD2-CB 4.15Å; L1248-L1255 HydrophobicContact CD2-CD1 4.05Å; L1248-M1256 HydrophobicContact CD2-CG 4.19Å; L1248-M1256 HydrophobicContact CD2-SD 4.34Å; L1248-V1314 HydrophobicContact CD1-CG2 4.26Å; L1248-L1342 HydrophobicContact CD1-CD2 3.78Å; L1248-I1345 HydrophobicContact CB-CG2 3.82Å
1249L79.3Confident71.4Confident34 Ų3441.4 Ų41.418%0.17821%0.213CC..Hα-helixtrans-67.9-37.9174.7-174.165.1000112.3Y1245 I1345 A1352Y1245-L1249 HydrophobicContact CE1-CD2 4.07Å; Y1245-L1249 WeakPolarHBondContact O-CB 3.35Å; Y1245-L1249 PolarHBondContact O-N 2.63Å; L1249-I1345 HydrophobicContact CB-CD1 3.76Å; L1249-I1345 HydrophobicContact CD1-CD1 3.98Å; L1249-I1345 HydrophobicContact CD1-CG1 4.06Å; L1249-I1345 HydrophobicContact CG-CD1 4.45Å; L1249-A1352 HydrophobicContact CG-CB 4.29Å; L1249-A1352 PolarHBondContact O-N 3.02Å
1250N73.6Confident69.1Low78 Ų7844.6 Ų44.642%0.41723%0.232SC..Hα-helixtrans-94-36.8-176.8-69.2-74.6000113.5W1246 L1247W1246-N1250 PolarHBondContact O-N 2.74Å; W1246-N1250 PolarHBondContact O-ND2 2.98Å; L1247-N1250 PolarHBondContact O-N 2.9Å
1251H69.9Low66.6Low53 Ų5350.4 Ų50.425%0.24527%0.269CS..Hα-helixtrans-113.912.3-175.6-61.3-89.2000113.6L1207 L1247 E1253 Q1254 L1255L1207-H1251 WeakPolarHBondContact CD2-NE2 3.42Å; L1247-H1251 WeakPolarHBondContact O-CA 3.43Å; L1247-H1251 WeakPolarHBondContact O-CB 3.49Å; L1247-H1251 PolarHBondContact O-N 3.49Å; H1251-E1253 VanDerWaalsContact C-N 3.28Å; H1251-E1253 PolarHBondContact O-N 3.41Å; H1251-E1253 VanDerWaalsContact O-N 3.14Å; H1251-Q1254 PolarHBondContact ND1-OE1 2.97Å; H1251-Q1254 PolarHBondContact O-N 2.95Å; H1251-Q1254 VanDerWaalsContact O-N 3.09Å; H1251-L1255 HydrophobicContact CB-CD1 3.99Å; H1251-L1255 HydrophobicContact CB-CG 4.44Å; H1251-L1255 PolarHBondContact O-N 3.42Å; H1251-L1255 VanDerWaalsContact O-N 3.14Å
1252G67.7Low63.9Low10 Ų1055 Ų5510%0.10330%0.302CS..Hα-helixtrans-55.7-31.9-17300000115.7L1248 M1256L1248-G1252 WeakPolarHBondContact O-CA 3.48Å; L1248-G1252 PolarHBondContact O-N 2.7Å; G1252-M1256 WeakPolarHBondContact O-CB 3.48Å; G1252-M1256 WeakPolarHBondContact O-CG 3.48Å; G1252-M1256 PolarHBondContact O-N 3.42Å
1253E64.9Low61.3Low99 Ų9957.6 Ų57.646%0.46332%0.317SS..Hα-helixtrans-62.8-53.6173.6-70-157.2104.400111.9H1251 L1255 M1256 Y1257 R1351H1251-E1253 VanDerWaalsContact C-N 3.28Å; H1251-E1253 PolarHBondContact O-N 3.41Å; H1251-E1253 VanDerWaalsContact O-N 3.14Å; E1253-L1255 PolarHBondContact O-N 3.39Å; E1253-M1256 PolarHBondContact O-N 3.13Å; E1253-Y1257 CarbonylContact O-C 3.58Å; E1253-Y1257 PolarHBondContact O-N 3.47Å; E1253-R1351 VanDerWaalsContact CD-NH2 3.25Å; E1253-R1351 VanDerWaalsContact CG-CZ 3.41Å; E1253-R1351 VanDerWaalsContact CG-NH2 3.33Å; E1253-R1351 IonicContact OE1-CZ 3.87Å; E1253-R1351 IonicContact OE1-NH1 3.38Å; E1253-R1351 PolarHBondContact OE1-NH1 3.37Å; E1253-R1351 IonicContact OE1-NH2 3.87Å; E1253-R1351 PolarHBondContact OE1-NH2 3.04Å; E1253-R1351 IonicContact OE2-CZ 3.16Å; E1253-R1351 IonicContact OE2-NH1 2.67Å; E1253-R1351 PolarHBondContact OE2-NH1 3.38Å
1254Q66.3Low58.7Low111 Ų11165.3 Ų65.352%0.51936%0.357SS..Hα-helixtrans-62.7-33.8-176.6-63.8170.5-7.800111.7P1212 H1251P1212-Q1254 WeakPolarHBondContact CD-O 3.28Å; H1251-Q1254 PolarHBondContact ND1-OE1 2.97Å; H1251-Q1254 PolarHBondContact O-N 2.95Å; H1251-Q1254 VanDerWaalsContact O-N 3.09Å
1255L68.2Low56.1Low1 Ų171 Ų711%0.00539%0.387CS..Hα-helixtrans-89.6-25.9-177.3-67.9172000114.4L1206 A1209 V1216 L1247 L1248 H1251 E1253L1206-L1255 HydrophobicContact CB-CD2 4.39Å; L1206-L1255 HydrophobicContact CD2-CD2 4.33Å; A1209-L1255 HydrophobicContact CB-CD2 4.28Å; V1216-L1255 HydrophobicContact CG1-CD2 3.88Å; L1247-L1255 HydrophobicContact CD1-CD1 4.25Å; L1247-L1255 HydrophobicContact CD2-CD1 3.68Å; L1247-L1255 HydrophobicContact CG-CD1 3.67Å; L1248-L1255 HydrophobicContact CD2-CB 4.15Å; L1248-L1255 HydrophobicContact CD2-CD1 4.05Å; H1251-L1255 HydrophobicContact CB-CD1 3.99Å; H1251-L1255 HydrophobicContact CB-CG 4.44Å; H1251-L1255 PolarHBondContact O-N 3.42Å; H1251-L1255 VanDerWaalsContact O-N 3.14Å; E1253-L1255 PolarHBondContact O-N 3.39Å
1256M68.6Low53.5Low10 Ų1071.4 Ų71.45%0.04940%0.396CS..Hα-helixtrans-113.5-28.6-174.1-58.2-166-69.400115L1248 G1252 E1253 S1308 V1310 A1311 I1345 C1346L1248-M1256 HydrophobicContact CD2-CG 4.19Å; L1248-M1256 HydrophobicContact CD2-SD 4.34Å; G1252-M1256 WeakPolarHBondContact O-CB 3.48Å; G1252-M1256 WeakPolarHBondContact O-CG 3.48Å; G1252-M1256 PolarHBondContact O-N 3.42Å; E1253-M1256 PolarHBondContact O-N 3.13Å; M1256-S1308 WeakPolarHBondContact O-CB 3.43Å; M1256-S1308 PolarHBondContact O-OG 3.08Å; M1256-V1310 HydrophobicContact CG-CG1 4.08Å; M1256-A1311 HydrophobicContact CG-CB 4.49Å; M1256-A1311 HydrophobicContact SD-CB 3.75Å; M1256-I1345 HydrophobicContact CE-CG2 3.7Å; M1256-C1346 HydrophobicContact SD-CB 4.26Å
1257Y57.7Low50.9Low38 Ų3875.3 Ų75.315%0.14942%0.419CS..  trans-138.7108.2-169.5-66.1-78.4000114E1253 V1259 S1493 R1494 D1495E1253-Y1257 CarbonylContact O-C 3.58Å; E1253-Y1257 PolarHBondContact O-N 3.47Å; Y1257-V1259 PolarHBondContact O-N 3.16Å; Y1257-S1493 WeakPolarHBondContact CD2-O 3.23Å; Y1257-S1493 VanDerWaalsContact CE2-O 3.23Å; Y1257-S1493 WeakPolarHBondContact CE2-O 3.31Å; Y1257-R1494 WeakPolarHBondContact OH-CA 3.27Å; Y1257-D1495 HydrophobicContact CE1-CB 4.19Å; Y1257-D1495 PolarHBondContact OH-N 3.23Å
1258C43.2Very low48.6Very low83 Ų8379.7 Ų79.756%0.56146%0.455SS*.  trans-65.598169.4-72.70000112.1P1212P1212-C1258 VanDerWaalsContact CD-SG 3.51Å; P1212-C1258 WeakPolarHBondContact CG-SG 3.3Å
1259V37Very low46.2Very low90 Ų9084.4 Ų84.455%0.54549%0.488SS..  trans-114.5117.9152.3-178.90000106.8Y1257 P1261Y1257-V1259 PolarHBondContact O-N 3.16Å; V1259-P1261 WeakPolarHBondContact O-CD 3.25Å
1260N29.7Very low43.8Very low126 Ų12689.9 Ų89.967%0.67452%0.516SS*.  trans-65.7121.1175.7-79.3-15.6000109.6S1262N1260-S1262 PolarHBondContact O-N 3.13Å
1261P28.9Very low41.6Very low122 Ų12290.5 Ų90.579%0.79253%0.527SS*.  trans-77-9.1166-9.628.7000111.7V1259 S1263V1259-P1261 WeakPolarHBondContact O-CD 3.25Å; P1261-S1263 PolarHBondContact O-N 3.32Å
1262S25.1Very low39.6Very low98 Ų9891.8 Ų91.869%0.68554%0.542SS*.  trans-97.652.3-165.750.40000114.1N1260N1260-S1262 PolarHBondContact O-N 3.13Å
1263S25.6Very low37.7Very low89 Ų8995.8 Ų95.862%0.62257%0.566SS**SBendtrans-147.7133.4160.560.10000110P1261P1261-S1263 PolarHBondContact O-N 3.32Å
1264I27.1Very low35.8Very low167 Ų167100.3 Ų100.386%0.85658%0.584SS**  trans77.677.1-170.3-45.2169000113.5
1265L26.6Very low34.1Very low120 Ų120101.7 Ų101.763%0.62860%0.6SS**  trans-150.3117.4130.4-148.7135.9000108.1V1454L1265-V1454 HydrophobicContact CD1-CG1 4.35Å; L1265-V1454 HydrophobicContact CD2-CG1 4.27Å; L1265-V1454 HydrophobicContact CD2-CG2 3.7Å; L1265-V1454 HydrophobicContact CG-CG2 4.23Å
1266P29.6Very low32.1Very low66 Ų66105.6 Ų105.643%0.42963%0.627SS.*  trans-81.3146.7178.732.7-32.4000110.5T1452P1266-T1452 HydrophobicContact CG-CG2 3.88Å
1267Q26.1Very low30.2Very low183 Ų183111.7 Ų111.786%0.85566%0.66SS**  trans-135.3127.8154.4-80.8-161.9-2000110.5
1268A28.2Very low28.6Very low93 Ų93114.4 Ų114.477%0.76969%0.685SS**  trans-127.7144.5173.100000106.9
1269S26.9Very low27.8Very low101 Ų101121.1 Ų121.171%0.70670%0.698SS**  cis-172.9-166.7-2.146.50000110.3
1270I28.3Very low27.3Very low149 Ų149124.2 Ų124.276%0.76471%0.706SS**  trans107.3123.5152.1-64.8151.6000118.7
1271S27.6Very low27.2Very low91 Ų91123.1 Ų123.164%0.63670%0.704SS**  trans56.9120.7163.961.30000119.1
1272S28.4Very low27.2Very low81 Ų81125.5 Ų125.557%0.56670%0.704SS**  cis78.9139.932.791.50000115.8L1088L1088-S1272 WeakPolarHBondContact CD1-O 3.36Å
1273P28.6Very low27.5Very low94 Ų94130.8 Ų130.861%0.6172%0.715SS**  -126.2166.6109.935.3-30.5000115L1088L1088-P1273 HydrophobicContact CD1-CB 4.44Å
1274K25Very low27.6Very low194 Ų194135.7 Ų135.784%0.84373%0.725SS**  trans-99.5178.5173.3-62.8173.6179.4172.20110.7
1275V30.2Very low27.4Very low139 Ų139132.6 Ų132.684%0.84272%0.718SS**  trans123.8130.4157.6168.90000112.1
1276S25.9Very low27.4Very low84 Ų84132 Ų13259%0.58772%0.724SS**  cis-165.2169.8-22.264.70000110.8
1277N27.9Very low27.3Very low138 Ų138134.3 Ų134.374%0.73874%0.737SS**  trans53.4102.1149.8-60.8-13.1000118.7
1278S24.2Very low27.3Very low95 Ų95135.5 Ų135.566%0.66474%0.74SS**  74.2116.970.378.70000116.3
1279R27.3Very low27.2Very low223 Ų223139.4 Ų139.484%0.84274%0.74SS**  -178.5160.4113.5-99172.9175.6169.60113.2
1280H26.2Very low27.4Very low155 Ų155140.7 Ų140.772%0.71874%0.743SS**  trans-8.2150.5151.3-52.5-55.4000118.5
1281T28.1Very low27.5Very low103 Ų103140 Ų14063%0.63274%0.741SS**  cis-166.7165.721.7-10.10000113.6
1282H29.2Very low27.5Very low172 Ų172141.9 Ų141.980%0.79674%0.744SS**  trans48.1118.9159.4-56.9-61.6000118.6
1283K30.5Very low27.3Very low210 Ų210145.2 Ų145.291%0.91376%0.756SS**  cis-137.714144.2-72.6175.7175174.70114
1284K27.5Very low27.1Very low192 Ų192143.9 Ų143.984%0.83576%0.759SS**  trans-97.5148.9161.5-76.4-169.3174.7-173.30108.2
1285S24.2Very low27.3Very low102 Ų102141.5 Ų141.571%0.71376%0.755SS**  cis88.782.130.688.30000115.1
1286S26.7Very low27.1Very low107 Ų107141 Ų14175%0.74876%0.758SS**  trans-177143.5164.451.80000109.4
1287T26.1Very low27.1Very low115 Ų115141 Ų14171%0.70676%0.763SS**  cis-172143.7-13.625.10000106.8
1288F27.2Very low27Very low207 Ų207137.8 Ų137.891%0.90875%0.752SS**  trans-152.7162.2138.6-110.8-73.2000110.1
1289F26.3Very low27.4Very low176 Ų176138.2 Ų138.277%0.77276%0.755SS**  trans-93.6156.1-162.4-76.7-112.8000113.3
1290V30.6Very low27.4Very low128 Ų128134 Ų13478%0.77675%0.748SS**  -176.8130.2104.5152.50000112.1
1291N29.6Very low27.5Very low133 Ų133131.2 Ų131.271%0.71175%0.746SS**  trans33.3115.1156.4-64.20.9000124.5
1292N27.4Very low27.6Very low132 Ų132132 Ų13271%0.70675%0.745SS**  55.3125.9115.6-71.611.7000124.4
1293N25.1Very low27.8Very low151 Ų151129.5 Ų129.581%0.80774%0.738SS**  69.9123.3129.3-62.11.1000121.9
1294G24.6Very low28Very low66 Ų66128.7 Ų128.768%0.6873%0.734SS**  100.883.5127.400000117.9
1295N27.7Very low28.5Very low143 Ų143127.7 Ų127.777%0.76573%0.73SS**  177.793.7127-95.1-42000112.2
1296S26.1Very low29.3Very low130 Ų130129.1 Ų129.191%0.90973%0.725SS**SBendtrans-117.147.5168.862.10000110.9
1297A26.3Very low30.4Very low84 Ų84125 Ų12569%0.69470%0.7SS**  trans-141-3.8-17500000114.3
1298S27Very low32.2Very low70 Ų70120 Ų12049%0.4967%0.669SS.*THydrogen-bonded Turntrans-89.8-6.8-170.3400000115.4S1301S1298-S1301 PolarHBondContact O-OG 3.36Å
1299S30.9Very low34.4Very low104 Ų104115 Ų11573%0.72764%0.644SS**THydrogen-bonded Turntrans-87.8-9-173.9-51.60000115.4
1300L28.3Very low36.8Very low135 Ų135106.8 Ų106.871%0.70761%0.609SS**SBendtrans-99-20.1-178.5-72.4171.8000113.9L1302 L1303L1300-L1302 VanDerWaalsContact C-N 3.31Å; L1300-L1302 PolarHBondContact O-N 3.26Å; L1300-L1303 HydrophobicContact CD2-CD1 4.05Å
1301S27.8Very low39.2Very low95 Ų95100.7 Ų100.766%0.66457%0.572SS**THydrogen-bonded Turntrans-77.8-10.2-179.153.60000114.6S1298S1298-S1301 PolarHBondContact O-OG 3.36Å
1302L31.1Very low41.7Very low119 Ų11996.7 Ų96.762%0.62355%0.547SS*.THydrogen-bonded Turntrans-84.6-25.5175.3-87.4164.9000113.9L1300 F1304 K1305L1300-L1302 VanDerWaalsContact C-N 3.31Å; L1300-L1302 PolarHBondContact O-N 3.26Å; L1302-F1304 VanDerWaalsContact C-N 3.33Å; L1302-F1304 PolarHBondContact O-N 3.42Å; L1302-K1305 PolarHBondContact O-N 2.89Å; L1302-K1305 VanDerWaalsContact O-N 3.11Å
1303L32.6Very low44.3Very low121 Ų12190.4 Ų90.463%0.63451%0.513SS*.G310 helixtrans-63.4-33.1-171.4-89159.6000113.9L1300 K1305L1300-L1303 HydrophobicContact CD2-CD1 4.05Å; L1303-K1305 VanDerWaalsContact C-N 3.31Å; L1303-K1305 PolarHBondContact O-N 3.35Å
1304F34.8Very low47.2Very low192 Ų19283.2 Ų83.284%0.84248%0.475SS*.G310 helixtrans-865.7178.5-73.1-77.9000114.5L1302L1302-F1304 VanDerWaalsContact C-N 3.33Å; L1302-F1304 PolarHBondContact O-N 3.42Å
1305K37.4Very low50.1Low171 Ų17180.1 Ų80.174%0.74344%0.442SS*.G310 helixtrans-98.310.6177.8-143.7174.9-174.51790113.6L1302 L1303L1302-K1305 PolarHBondContact O-N 2.89Å; L1302-K1305 VanDerWaalsContact O-N 3.11Å; L1303-K1305 VanDerWaalsContact C-N 3.31Å; L1303-K1305 PolarHBondContact O-N 3.35Å
1306H41.6Very low52.7Low132 Ų13274.1 Ų74.161%0.61141%0.414SS*.  trans-127.585.6176.6-74.4-1000110.4
1307G50.6Low55.4Low22 Ų2267.9 Ų67.923%0.22737%0.371CS..  trans-57.3156.9165.200000111.7R1309 R1312G1307-R1309 PolarHBondContact O-N 2.89Å; G1307-R1312 PolarHBondContact O-NE 2.66Å; G1307-R1312 PolarHBondContact O-NH2 3.11Å
1308S64.3Low58.2Low8 Ų863.9 Ų63.96%0.05634%0.338CS..  trans-47112.5-163-1690000113.4M1256 V1310 A1311 R1312M1256-S1308 WeakPolarHBondContact O-CB 3.43Å; M1256-S1308 PolarHBondContact O-OG 3.08Å; S1308-V1310 VanDerWaalsContact C-N 3.32Å; S1308-A1311 PolarHBondContact OG-N 2.87Å; S1308-A1311 VanDerWaalsContact OG-N 3.16Å; S1308-R1312 WeakPolarHBondContact O-CG 3.36Å; S1308-R1312 PolarHBondContact O-N 3.22Å; S1308-R1312 PolarHBondContact O-NE 3.15Å
1309R72.8Confident60.9Low102 Ų10262.1 Ų62.139%0.38532%0.324SS..Hα-helixtrans-65.1-40.7173.9-83.9169.8150.1-107.11.8110.7L867 E1217 G1307 Q1313L867-R1309 HydrophobicContact CD1-CB 4.24Å; L867-R1309 HydrophobicContact CD1-CG 4.01Å; E1217-R1309 IonicContact OE1-NH1 3.65Å; E1217-R1309 PolarHBondContact OE1-NH1 2.84Å; E1217-R1309 WeakPolarHBondContact OE2-CD 3.23Å; E1217-R1309 IonicContact OE2-CZ 2.74Å; E1217-R1309 IonicContact OE2-NE 3.13Å; E1217-R1309 IonicContact OE2-NH1 2.72Å; E1217-R1309 PolarHBondContact OE2-NH1 2.9Å; G1307-R1309 PolarHBondContact O-N 2.89Å; R1309-Q1313 WeakPolarHBondContact O-CG 3.35Å; R1309-Q1313 PolarHBondContact O-N 2.93Å
1310V77.2Confident63.3Low4 Ų457.7 Ų57.72%0.02429%0.292CS..Hα-helixtrans-59.3-55.7176.8170.20000110.7P1212 V1216 I1220 M1256 S1308 R1312 Q1313 V1314P1212-V1310 HydrophobicContact CB-CG2 4.4Å; V1216-V1310 HydrophobicContact CG1-CG2 4.07Å; I1220-V1310 HydrophobicContact CD1-CG1 3.43Å; I1220-V1310 VanDerWaalsContact CD1-CG1 3.43Å; M1256-V1310 HydrophobicContact CG-CG1 4.08Å; S1308-V1310 VanDerWaalsContact C-N 3.32Å; V1310-R1312 PolarHBondContact O-N 3.13Å; V1310-Q1313 PolarHBondContact O-N 2.73Å; V1310-Q1313 VanDerWaalsContact O-N 3.08Å; V1310-V1314 PolarHBondContact O-N 2.89Å
1311A79.6Confident65.9Low0 Ų051.3 Ų51.30%026%0.259CS..Hα-helixtrans-62.5-42.5-176.600000111.9M1256 S1308 Q1313 V1314 I1315 C1346 T1498M1256-A1311 HydrophobicContact CG-CB 4.49Å; M1256-A1311 HydrophobicContact SD-CB 3.75Å; S1308-A1311 PolarHBondContact OG-N 2.87Å; S1308-A1311 VanDerWaalsContact OG-N 3.16Å; A1311-Q1313 VanDerWaalsContact C-N 3.3Å; A1311-Q1313 PolarHBondContact O-N 2.91Å; A1311-V1314 PolarHBondContact O-N 3.38Å; A1311-I1315 WeakPolarHBondContact O-CG1 3.29Å; A1311-I1315 PolarHBondContact O-N 3.09Å; A1311-C1346 HydrophobicContact CB-CB 4.04Å; A1311-T1498 HydrophobicContact CB-CG2 3.7Å
1312R82.5Confident68.5Low50 Ų5046.8 Ų46.819%0.18923%0.227CC..Hα-helixtrans-63-31174.3-68.7-176.7-71.3144.5-5.4113.8L867 G1307 S1308 V1310 G1316 D1495 T1498L867-R1312 HydrophobicContact CD2-CB 3.39Å; G1307-R1312 PolarHBondContact O-NE 2.66Å; G1307-R1312 PolarHBondContact O-NH2 3.11Å; S1308-R1312 WeakPolarHBondContact O-CG 3.36Å; S1308-R1312 PolarHBondContact O-N 3.22Å; S1308-R1312 PolarHBondContact O-NE 3.15Å; V1310-R1312 PolarHBondContact O-N 3.13Å; R1312-G1316 PolarHBondContact O-N 2.97Å; R1312-D1495 IonicContact NE-OD2 2.74Å; R1312-T1498 HydrophobicContact CG-CG2 4.15Å; R1312-T1498 WeakPolarHBondContact CG-OG1 3.41Å
1313Q83.4Confident70.9Confident0 Ų048.5 Ų48.50%023%0.225CC..Hα-helixtrans-76-33.1173.1-78.1-178.6-11.800113.2D865 F866 L867 E1217 V1221 L1224 R1309 V1310 A1311 G1317D865-Q1313 PolarHBondContact OD1-NE2 2.95Å; F866-Q1313 HydrophobicContact CB-CG 4.46Å; F866-Q1313 HydrophobicContact CD2-CB 4.5Å; L867-Q1313 HydrophobicContact CD1-CG 3.99Å; L867-Q1313 HydrophobicContact CD2-CG 3.78Å; L867-Q1313 HydrophobicContact CG-CG 3.55Å; E1217-Q1313 PolarHBondContact O-OE1 2.91Å; E1217-Q1313 PolarHBondContact OE1-NE2 3.43Å; V1221-Q1313 HydrophobicContact CG2-CB 4.21Å; V1221-Q1313 VanDerWaalsContact CG2-CD 3.5Å; V1221-Q1313 HydrophobicContact CG2-CG 4.22Å; L1224-Q1313 WeakPolarHBondContact CD1-O 3.43Å; R1309-Q1313 WeakPolarHBondContact O-CG 3.35Å; R1309-Q1313 PolarHBondContact O-N 2.93Å; V1310-Q1313 PolarHBondContact O-N 2.73Å; V1310-Q1313 VanDerWaalsContact O-N 3.08Å; A1311-Q1313 VanDerWaalsContact C-N 3.3Å; A1311-Q1313 PolarHBondContact O-N 2.91Å; Q1313-G1317 PolarHBondContact O-N 2.93Å
1314V83.9Confident73.1Confident0 Ų046.6 Ų46.60%022%0.216CC..Hα-helixtrans-61.4-54.2169.3178.40000109.9I1220 L1248 V1310 A1311 G1316 G1317 L1318 C1346I1220-V1314 HydrophobicContact CG2-CG2 3.48Å; I1220-V1314 VanDerWaalsContact CG2-CG2 3.48Å; L1248-V1314 HydrophobicContact CD1-CG2 4.26Å; V1310-V1314 PolarHBondContact O-N 2.89Å; A1311-V1314 PolarHBondContact O-N 3.38Å; V1314-G1316 PolarHBondContact O-N 3.44Å; V1314-G1317 PolarHBondContact O-N 3.31Å; V1314-L1318 HydrophobicContact CG1-CD1 3.75Å; V1314-L1318 HydrophobicContact CG1-CG 4.27Å; V1314-L1318 WeakPolarHBondContact O-CB 3.35Å; V1314-L1318 VanDerWaalsContact O-CG 3.3Å; V1314-L1318 WeakPolarHBondContact O-CG 3.34Å; V1314-L1318 PolarHBondContact O-N 3.19Å; V1314-C1346 HydrophobicContact CB-CB 4.26Å; V1314-C1346 HydrophobicContact CG1-CB 4.26Å
1315I86.1Confident75.1Confident0 Ų039.2 Ų39.20%018%0.184CC..Hα-helixtrans-61.9-44.2180-61.6-55.4000111.9A1311 T1319 L1343 C1346 T1498 Q1501 A1502A1311-I1315 WeakPolarHBondContact O-CG1 3.29Å; A1311-I1315 PolarHBondContact O-N 3.09Å; I1315-T1319 WeakPolarHBondContact O-CB 3.28Å; I1315-T1319 PolarHBondContact O-N 3.46Å; I1315-T1319 PolarHBondContact O-OG1 2.54Å; I1315-L1343 HydrophobicContact CD1-CD2 3.65Å; I1315-C1346 HydrophobicContact CD1-CB 3.84Å; I1315-C1346 HydrophobicContact CG1-CB 4.05Å; I1315-T1498 HydrophobicContact CG1-CG2 3.75Å; I1315-Q1501 HydrophobicContact CG2-CB 3.7Å; I1315-A1502 HydrophobicContact CD1-CB 3.67Å; I1315-A1502 HydrophobicContact CG1-CB 4.03Å; I1315-A1502 HydrophobicContact CG2-CB 3.99Å
1316G82.9Confident76.8Confident17 Ų1731.6 Ų31.618%0.17515%0.153CC..Hα-helixtrans-65.2-38.4177.300000113.3R1312 V1314 D1320R1312-G1316 PolarHBondContact O-N 2.97Å; V1314-G1316 PolarHBondContact O-N 3.44Å; G1316-D1320 PolarHBondContact O-N 3.01Å; G1316-D1320 VanDerWaalsContact O-N 3.08Å
1317G82.1Confident78.3Confident0 Ų030 Ų300%016%0.163CC..Hα-helixtrans-72.1-40.2176.500000113.3Q1313 V1314 D1320 L1321Q1313-G1317 PolarHBondContact O-N 2.93Å; V1314-G1317 PolarHBondContact O-N 3.31Å; G1317-D1320 PolarHBondContact O-N 3.08Å; G1317-L1321 WeakPolarHBondContact O-CB 3.24Å; G1317-L1321 PolarHBondContact O-N 2.85Å
1318L85.1Confident79.3Confident0 Ų031.6 Ų31.60%017%0.166CC..Hα-helixtrans-64.2-41.7172-71.6174.7000111.4L1224 F1241 V1314 D1320 L1321 L1322 I1339 L1342 L1343L1224-L1318 HydrophobicContact CD2-CD2 4.26Å; L1224-L1318 HydrophobicContact CD2-CG 4.32Å; F1241-L1318 HydrophobicContact CE1-CD2 3.91Å; V1314-L1318 HydrophobicContact CG1-CD1 3.75Å; V1314-L1318 HydrophobicContact CG1-CG 4.27Å; V1314-L1318 WeakPolarHBondContact O-CB 3.35Å; V1314-L1318 VanDerWaalsContact O-CG 3.3Å; V1314-L1318 WeakPolarHBondContact O-CG 3.34Å; V1314-L1318 PolarHBondContact O-N 3.19Å; L1318-D1320 VanDerWaalsContact C-N 3.32Å; L1318-D1320 PolarHBondContact O-N 3.3Å; L1318-L1321 PolarHBondContact O-N 2.88Å; L1318-L1322 WeakPolarHBondContact O-CB 3.48Å; L1318-L1322 VanDerWaalsContact O-CG 3.25Å; L1318-L1322 WeakPolarHBondContact O-CG 3.22Å; L1318-L1322 PolarHBondContact O-N 3.29Å; L1318-I1339 HydrophobicContact CD2-CG1 4.37Å; L1318-L1342 HydrophobicContact CD1-CB 3.77Å; L1318-L1343 HydrophobicContact CB-CD2 4.47Å; L1318-L1343 HydrophobicContact CD1-CD2 4.02Å; L1318-L1343 HydrophobicContact CD1-CG 4.38Å
1319T84.9Confident79.8Confident32 Ų3232.2 Ų32.220%0.19617%0.168CC..Hα-helixtrans-60.2-41174.9-56.40000111.9I1315 R1323 C1505I1315-T1319 WeakPolarHBondContact O-CB 3.28Å; I1315-T1319 PolarHBondContact O-N 3.46Å; I1315-T1319 PolarHBondContact O-OG1 2.54Å; T1319-R1323 VanDerWaalsContact O-CB 3.23Å; T1319-R1323 WeakPolarHBondContact O-CB 3.45Å; T1319-R1323 PolarHBondContact O-N 3.09Å; T1319-C1505 PolarHBondContact OG1-SG 3Å
1320D81.6Confident79.4Confident11 Ų1130.3 Ų30.36%0.05917%0.169CC..Hα-helixtrans-74-32.4177.5-155.527.6000112.7F866 R871 G1316 G1317 L1318 N1324F866-D1320 HydrophobicContact CD1-CB 4.45Å; F866-D1320 HydrophobicContact CE1-CB 4.26Å; R871-D1320 IonicContact CZ-OD1 3.37Å; R871-D1320 IonicContact CZ-OD2 3.86Å; R871-D1320 IonicContact NH1-OD1 2.73Å; R871-D1320 PolarHBondContact NH1-OD1 2.88Å; R871-D1320 IonicContact NH1-OD2 3.63Å; R871-D1320 PolarHBondContact NH1-OD2 3.22Å; R871-D1320 IonicContact NH2-OD1 2.82Å; R871-D1320 PolarHBondContact NH2-OD1 2.89Å; R871-D1320 IonicContact NH2-OD2 3.5Å; G1316-D1320 PolarHBondContact O-N 3.01Å; G1316-D1320 VanDerWaalsContact O-N 3.08Å; G1317-D1320 PolarHBondContact O-N 3.08Å; L1318-D1320 VanDerWaalsContact C-N 3.32Å; L1318-D1320 PolarHBondContact O-N 3.3Å; D1320-N1324 PolarHBondContact O-ND2 3.47Å; D1320-N1324 PolarHBondContact OD1-ND2 3.29Å
1321L82.3Confident79.3Confident1 Ų132.8 Ų32.81%0.00518%0.183CC..Hα-helixtrans-63.9-53.4171.4-177.7147.7000110.8A1227 I1228 L1231 F1241 G1317 L1318 N1324 H1325 I1339A1227-L1321 HydrophobicContact CB-CD1 4.06Å; I1228-L1321 HydrophobicContact CD1-CB 4.31Å; I1228-L1321 HydrophobicContact CG1-CB 3.82Å; I1228-L1321 HydrophobicContact CG1-CD1 3.82Å; I1228-L1321 HydrophobicContact CG1-CG 4.06Å; L1231-L1321 HydrophobicContact CD1-CD1 3.69Å; L1231-L1321 HydrophobicContact CD1-CD2 3.84Å; L1231-L1321 HydrophobicContact CD1-CG 3.52Å; F1241-L1321 HydrophobicContact CE1-CD1 4.17Å; F1241-L1321 HydrophobicContact CZ-CD1 3.6Å; F1241-L1321 HydrophobicContact CZ-CD2 4.28Å; G1317-L1321 WeakPolarHBondContact O-CB 3.24Å; G1317-L1321 PolarHBondContact O-N 2.85Å; L1318-L1321 PolarHBondContact O-N 2.88Å; L1321-N1324 PolarHBondContact O-N 3.02Å; L1321-H1325 WeakPolarHBondContact O-CA 3.45Å; L1321-H1325 WeakPolarHBondContact O-CB 3.36Å; L1321-H1325 PolarHBondContact O-N 3.22Å; L1321-I1339 HydrophobicContact CD2-CD1 4.47Å
1322L81.9Confident79Confident1 Ų134.7 Ų34.71%0.00520%0.195CC..Hα-helixtrans-65.5-46.4-175.3-70.3168.8000112.2L1318 N1324 H1325 A1326 W1336 I1339 L1509L1318-L1322 WeakPolarHBondContact O-CB 3.48Å; L1318-L1322 VanDerWaalsContact O-CG 3.25Å; L1318-L1322 WeakPolarHBondContact O-CG 3.22Å; L1318-L1322 PolarHBondContact O-N 3.29Å; L1322-N1324 PolarHBondContact O-N 2.93Å; L1322-N1324 VanDerWaalsContact O-N 3.16Å; L1322-H1325 PolarHBondContact O-N 3.4Å; L1322-A1326 HydrophobicContact CD2-CB 4.21Å; L1322-A1326 VanDerWaalsContact O-CB 3.23Å; L1322-A1326 WeakPolarHBondContact O-CB 3.3Å; L1322-A1326 PolarHBondContact O-N 3.05Å; L1322-W1336 HydrophobicContact CD2-CE3 4.44Å; L1322-W1336 HydrophobicContact CD2-CH2 3.57Å; L1322-W1336 HydrophobicContact CD2-CZ3 3.43Å; L1322-W1336 VanDerWaalsContact CD2-CZ3 3.43Å; L1322-I1339 HydrophobicContact CD1-CG2 4Å; L1322-I1339 HydrophobicContact CD2-CD1 4.37Å; L1322-I1339 HydrophobicContact CD2-CG2 4.32Å; L1322-L1509 HydrophobicContact CD1-CD1 4.07Å; L1322-L1509 HydrophobicContact CD1-CD2 4.25Å; L1322-L1509 HydrophobicContact CD1-CG 4.44Å; L1322-L1509 HydrophobicContact CD2-CD2 4.33Å
1323R81.6Confident78.5Confident154 Ų15435.1 Ų35.158%0.58120%0.203SC*.Hα-helixtrans-60.8-27.1-179.1-174.9176.8-70-155.10.1113.6T1319 F1508T1319-R1323 VanDerWaalsContact O-CB 3.23Å; T1319-R1323 WeakPolarHBondContact O-CB 3.45Å; T1319-R1323 PolarHBondContact O-N 3.09Å; R1323-F1508 HydrophobicContact CB-CE1 4.33Å; R1323-F1508 HydrophobicContact CB-CZ 4.22Å; R1323-F1508 HydrophobicContact CG-CE2 4.41Å; R1323-F1508 HydrophobicContact CG-CZ 4.19Å
1324N79.1Confident78.4Confident82 Ų8238 Ų3844%0.43922%0.22SC..Hα-helixtrans-104.1-23.1-179.1-62.2-65.8000113.9D1320 L1321 L1322D1320-N1324 PolarHBondContact O-ND2 3.47Å; D1320-N1324 PolarHBondContact OD1-ND2 3.29Å; L1321-N1324 PolarHBondContact O-N 3.02Å; L1322-N1324 PolarHBondContact O-N 2.93Å; L1322-N1324 VanDerWaalsContact O-N 3.16Å
1325H76Confident78.3Confident37 Ų3738 Ų3817%0.17122%0.22CC..Hα-helixtrans-142.712.2-164.7-59.5-66.7000116.1L1231 L1321 L1322 A1327 D1328L1231-H1325 HydrophobicContact CD1-CB 3.58Å; L1231-H1325 HydrophobicContact CD2-CB 4.1Å; L1231-H1325 HydrophobicContact CG-CB 4.37Å; L1321-H1325 WeakPolarHBondContact O-CA 3.45Å; L1321-H1325 WeakPolarHBondContact O-CB 3.36Å; L1321-H1325 PolarHBondContact O-N 3.22Å; L1322-H1325 PolarHBondContact O-N 3.4Å; H1325-A1327 PolarHBondContact O-N 2.98Å; H1325-D1328 HydrophobicContact CB-CB 4.38Å; H1325-D1328 IonicContact ND1-OD2 3.95Å; H1325-D1328 PolarHBondContact ND1-OD2 2.74Å; H1325-D1328 PolarHBondContact O-N 3.3Å
1326A74.4Confident78.3Confident10 Ų1038.3 Ų38.38%0.08322%0.222CC..THydrogen-bonded Turntrans-54.7-26179.900000114.9L1322 W1336L1322-A1326 HydrophobicContact CD2-CB 4.21Å; L1322-A1326 VanDerWaalsContact O-CB 3.23Å; L1322-A1326 WeakPolarHBondContact O-CB 3.3Å; L1322-A1326 PolarHBondContact O-N 3.05Å; A1326-W1336 HydrophobicContact CB-CH2 4.04Å; A1326-W1336 HydrophobicContact CB-CZ2 4.3Å
1327A71.9Confident78.3Confident100 Ų10043 Ų4383%0.82624%0.238SC*.THydrogen-bonded Turntrans-88.8-6.9177.400000114.8H1325H1325-A1327 PolarHBondContact O-N 2.98Å
1328D71.6Confident78.4Confident54 Ų5444 Ų4429%0.28924%0.242SC..SBendtrans-95.83.5-177-84-29.3000112.8L1231 R1232 H1325L1231-D1328 VanDerWaalsContact CD2-C 3.43Å; L1231-D1328 HydrophobicContact CD2-CB 3.68Å; L1231-D1328 WeakPolarHBondContact CD2-O 3.39Å; L1231-D1328 VanDerWaalsContact O-O 3.13Å; R1232-D1328 HydrophobicContact CG-CB 4.22Å; R1232-D1328 IonicContact CZ-OD2 3.39Å; R1232-D1328 IonicContact NE-OD1 3.89Å; R1232-D1328 IonicContact NE-OD2 3.7Å; R1232-D1328 PolarHBondContact NE-OD2 2.79Å; R1232-D1328 IonicContact NH2-OD1 3.69Å; R1232-D1328 IonicContact NH2-OD2 2.71Å; R1232-D1328 PolarHBondContact NH2-OD2 2.94Å; H1325-D1328 HydrophobicContact CB-CB 4.38Å; H1325-D1328 IonicContact ND1-OD2 3.95Å; H1325-D1328 PolarHBondContact ND1-OD2 2.74Å; H1325-D1328 PolarHBondContact O-N 3.3Å
1329L74.3Confident78.5Confident21 Ų2144 Ų4411%0.1124%0.242CC..  trans-64.7130.5-170.2-74.6169000114.3L1231 D1335 W1336 I1339L1231-L1329 HydrophobicContact CD2-CD2 3.89Å; L1231-L1329 HydrophobicContact CD2-CG 4.2Å; L1231-L1329 HydrophobicContact CG-CD2 4.48Å; L1329-D1335 HydrophobicContact CD2-CB 4.06Å; L1329-W1336 HydrophobicContact CD1-CD2 3.94Å; L1329-W1336 VanDerWaalsContact CD1-CE2 3.5Å; L1329-W1336 HydrophobicContact CD1-CE3 4.5Å; L1329-W1336 HydrophobicContact CD1-CG 4.43Å; L1329-W1336 HydrophobicContact CD1-CH2 4.3Å; L1329-W1336 HydrophobicContact CD1-CZ2 3.7Å; L1329-I1339 HydrophobicContact CD1-CD1 4.28Å; L1329-I1339 HydrophobicContact CD2-CD1 4.07Å
1330P65.7Low78.7Confident62 Ų6242.5 Ų42.540%0.40323%0.233SC..SBendtrans-66.1-46.5-176.5-2635.6000117L1231 D1335L1231-P1330 WeakPolarHBondContact O-CD 3.38Å; L1231-P1330 VanDerWaalsContact O-CG 3.24Å; L1231-P1330 WeakPolarHBondContact O-CG 3.45Å; P1330-D1335 WeakPolarHBondContact CD-OD2 3.3Å
1331D74.8Confident78.9Confident57 Ų5742.1 Ų42.131%0.30523%0.232SC..  trans-127.993.5173171.56.5000107.9T1333 T1334 D1335D1331-T1333 PolarHBondContact O-N 2.98Å; D1331-T1333 PolarHBondContact OD1-N 2.66Å; D1331-T1333 PolarHBondContact OD1-OG1 3.17Å; D1331-T1334 PolarHBondContact O-N 2.97Å; D1331-T1334 PolarHBondContact OD1-N 2.96Å; D1331-T1334 WeakPolarHBondContact OD2-CB 3.46Å; D1331-T1334 PolarHBondContact OD2-OG1 3.5Å; D1331-D1335 PolarHBondContact N-OD2 2.69Å; D1331-D1335 WeakPolarHBondContact O-CB 3.46Å; D1331-D1335 PolarHBondContact O-N 3.15Å
1332P72.6Confident79.1Confident39 Ų3942.1 Ų42.125%0.25323%0.232SC..Hα-helixtrans-58.4-34.1-177.523.3-33.1000112.1T1334 W1336 D1519P1332-T1334 PolarHBondContact O-N 3.14Å; P1332-W1336 WeakPolarHBondContact O-CB 3.48Å; P1332-W1336 PolarHBondContact O-N 3.49Å; P1332-D1519 HydrophobicContact CB-CB 4.05Å; P1332-D1519 HydrophobicContact CG-CB 4.45Å
1333T73.5Confident79.4Confident60 Ų6042 Ų4237%0.36823%0.232SC..Hα-helixtrans-66.9-36.6-176.169.80000112.8D1331 K1337 D1519D1331-T1333 PolarHBondContact O-N 2.98Å; D1331-T1333 PolarHBondContact OD1-N 2.66Å; D1331-T1333 PolarHBondContact OD1-OG1 3.17Å; T1333-K1337 VanDerWaalsContact O-CD 3.23Å; T1333-K1337 WeakPolarHBondContact O-CD 3.49Å; T1333-K1337 WeakPolarHBondContact O-CG 3.35Å; T1333-D1519 HydrophobicContact CG2-CB 3.88Å
1334T79.9Confident79.7Confident59 Ų5934.9 Ų34.936%0.36221%0.205SC..Hα-helixtrans-92.1-44.5178.5-54.70000111.7D1331 P1332 W1336 K1337 L1338D1331-T1334 PolarHBondContact O-N 2.97Å; D1331-T1334 PolarHBondContact OD1-N 2.96Å; D1331-T1334 WeakPolarHBondContact OD2-CB 3.46Å; D1331-T1334 PolarHBondContact OD2-OG1 3.5Å; P1332-T1334 PolarHBondContact O-N 3.14Å; T1334-W1336 PolarHBondContact O-N 2.93Å; T1334-K1337 PolarHBondContact O-N 3.37Å; T1334-L1338 HydrophobicContact CG2-CD1 3.87Å; T1334-L1338 HydrophobicContact CG2-CG 4.46Å; T1334-L1338 VanDerWaalsContact O-CG 3.3Å; T1334-L1338 WeakPolarHBondContact O-CG 3.21Å; T1334-L1338 PolarHBondContact O-N 3.12Å; T1334-L1338 VanDerWaalsContact O-N 3.1Å
1335D81.2Confident80Confident0 Ų031 Ų310%018%0.184CC..Hα-helixtrans-64.2-40.8-177.3-70-40.8000111.3S1238 L1329 P1330 D1331 L1338 I1339S1238-D1335 WeakPolarHBondContact CA-OD1 3.05Å; S1238-D1335 WeakPolarHBondContact CB-OD1 3.31Å; L1329-D1335 HydrophobicContact CD2-CB 4.06Å; P1330-D1335 WeakPolarHBondContact CD-OD2 3.3Å; D1331-D1335 PolarHBondContact N-OD2 2.69Å; D1331-D1335 WeakPolarHBondContact O-CB 3.46Å; D1331-D1335 PolarHBondContact O-N 3.15Å; D1335-L1338 PolarHBondContact O-N 3.39Å; D1335-I1339 WeakPolarHBondContact O-CB 3.46Å; D1335-I1339 WeakPolarHBondContact O-CD1 3.45Å; D1335-I1339 WeakPolarHBondContact O-CG1 3.37Å; D1335-I1339 PolarHBondContact O-N 3.47Å
1336W86Confident80.4Confident7 Ų729.2 Ų29.23%0.02718%0.176CC..Hα-helixtrans-65.1-42.6175.4-74.8121.5000112.4L1322 A1326 L1329 P1332 T1334 L1338 I1339 F1340 L1509 N1520L1322-W1336 HydrophobicContact CD2-CE3 4.44Å; L1322-W1336 HydrophobicContact CD2-CH2 3.57Å; L1322-W1336 HydrophobicContact CD2-CZ3 3.43Å; L1322-W1336 VanDerWaalsContact CD2-CZ3 3.43Å; A1326-W1336 HydrophobicContact CB-CH2 4.04Å; A1326-W1336 HydrophobicContact CB-CZ2 4.3Å; L1329-W1336 HydrophobicContact CD1-CD2 3.94Å; L1329-W1336 VanDerWaalsContact CD1-CE2 3.5Å; L1329-W1336 HydrophobicContact CD1-CE3 4.5Å; L1329-W1336 HydrophobicContact CD1-CG 4.43Å; L1329-W1336 HydrophobicContact CD1-CH2 4.3Å; L1329-W1336 HydrophobicContact CD1-CZ2 3.7Å; P1332-W1336 WeakPolarHBondContact O-CB 3.48Å; P1332-W1336 PolarHBondContact O-N 3.49Å; T1334-W1336 PolarHBondContact O-N 2.93Å; W1336-L1338 VanDerWaalsContact C-N 3.25Å; W1336-L1338 PolarHBondContact O-N 3.42Å; W1336-I1339 HydrophobicContact CE3-CG2 4.37Å; W1336-I1339 PolarHBondContact O-N 3.42Å; W1336-I1339 VanDerWaalsContact O-N 3.16Å; W1336-F1340 HydrophobicContact CB-CD2 4.32Å; W1336-F1340 HydrophobicContact CB-CE2 4.49Å; W1336-F1340 HydrophobicContact CD2-CE2 4.39Å; W1336-F1340 HydrophobicContact CE3-CD2 4.18Å; W1336-F1340 AromaticContact CE3-CE2 3.7Å; W1336-F1340 HydrophobicContact CE3-CE2 3.7Å; W1336-F1340 HydrophobicContact CZ3-CE2 4.28Å; W1336-F1340 VanDerWaalsContact O-CD2 3.31Å; W1336-F1340 WeakPolarHBondContact O-CD2 3.38Å; W1336-F1340 PolarHBondContact O-N 3.06Å; W1336-L1509 HydrophobicContact CH2-CD2 3.73Å; W1336-L1509 HydrophobicContact CZ3-CD1 3.97Å; W1336-L1509 HydrophobicContact CZ3-CD2 3.84Å; W1336-N1520 HydrophobicContact CB-CB 3.49Å; W1336-N1520 VanDerWaalsContact CB-CB 3.49Å; W1336-N1520 HydrophobicContact CD2-CB 3.93Å; W1336-N1520 HydrophobicContact CG-CB 3.41Å; W1336-N1520 VanDerWaalsContact CG-CB 3.41Å; W1336-N1520 PolarHBondContact NE1-ND2 2.97Å
1337K83.7Confident80.8Confident117 Ų11728.8 Ų28.851%0.50917%0.172SC..Hα-helixtrans-54.8-43.6175.3-79.2173.8-173.7176.80111.7T1333 T1334 G1341 C1523T1333-K1337 VanDerWaalsContact O-CD 3.23Å; T1333-K1337 WeakPolarHBondContact O-CD 3.49Å; T1333-K1337 WeakPolarHBondContact O-CG 3.35Å; T1334-K1337 PolarHBondContact O-N 3.37Å; K1337-G1341 PolarHBondContact O-N 3.19Å; K1337-C1523 WeakPolarHBondContact CG-SG 3.5Å
1338L85.1Confident81.3Confident19 Ų1924 Ų2410%0.09913%0.133CC..Hα-helixtrans-71.9-37.4178.8-63.5168.2000112.6F1241 A1242 Y1245 T1334 D1335 W1336 L1342F1241-L1338 HydrophobicContact CB-CB 3.82Å; F1241-L1338 HydrophobicContact CB-CD1 3.88Å; F1241-L1338 HydrophobicContact CB-CG 4.47Å; A1242-L1338 HydrophobicContact CB-CD1 3.93Å; A1242-L1338 HydrophobicContact CB-CD2 4.29Å; Y1245-L1338 HydrophobicContact CD1-CD2 3.67Å; Y1245-L1338 HydrophobicContact CE1-CD2 4.44Å; Y1245-L1338 HydrophobicContact CG-CD2 3.81Å; T1334-L1338 HydrophobicContact CG2-CD1 3.87Å; T1334-L1338 HydrophobicContact CG2-CG 4.46Å; T1334-L1338 VanDerWaalsContact O-CG 3.3Å; T1334-L1338 WeakPolarHBondContact O-CG 3.21Å; T1334-L1338 PolarHBondContact O-N 3.12Å; T1334-L1338 VanDerWaalsContact O-N 3.1Å; D1335-L1338 PolarHBondContact O-N 3.39Å; W1336-L1338 VanDerWaalsContact C-N 3.25Å; W1336-L1338 PolarHBondContact O-N 3.42Å; L1338-L1342 WeakPolarHBondContact O-CB 3.18Å; L1338-L1342 VanDerWaalsContact O-CG 3.26Å; L1338-L1342 WeakPolarHBondContact O-CG 3.37Å; L1338-L1342 PolarHBondContact O-N 2.91Å
1339I86.8Confident81.6Confident0 Ų021.7 Ų21.70%012%0.121CC..Hα-helixtrans-67.8-49.2177-72165.6000111.2F1241 L1318 L1321 L1322 L1329 D1335 W1336 L1342 L1343F1241-I1339 HydrophobicContact CD1-CG1 4.37Å; F1241-I1339 HydrophobicContact CE1-CG1 4.08Å; F1241-I1339 HydrophobicContact CE2-CD1 4.13Å; F1241-I1339 HydrophobicContact CE2-CG1 4.34Å; F1241-I1339 HydrophobicContact CZ-CD1 3.98Å; F1241-I1339 HydrophobicContact CZ-CG1 4.05Å; L1318-I1339 HydrophobicContact CD2-CG1 4.37Å; L1321-I1339 HydrophobicContact CD2-CD1 4.47Å; L1322-I1339 HydrophobicContact CD1-CG2 4Å; L1322-I1339 HydrophobicContact CD2-CD1 4.37Å; L1322-I1339 HydrophobicContact CD2-CG2 4.32Å; L1329-I1339 HydrophobicContact CD1-CD1 4.28Å; L1329-I1339 HydrophobicContact CD2-CD1 4.07Å; D1335-I1339 WeakPolarHBondContact O-CB 3.46Å; D1335-I1339 WeakPolarHBondContact O-CD1 3.45Å; D1335-I1339 WeakPolarHBondContact O-CG1 3.37Å; D1335-I1339 PolarHBondContact O-N 3.47Å; W1336-I1339 HydrophobicContact CE3-CG2 4.37Å; W1336-I1339 PolarHBondContact O-N 3.42Å; W1336-I1339 VanDerWaalsContact O-N 3.16Å; I1339-L1342 PolarHBondContact O-N 3.01Å; I1339-L1343 WeakPolarHBondContact O-CG 3.49Å; I1339-L1343 PolarHBondContact O-N 3.01Å
1340F89.3Confident82.1Confident1 Ų122.9 Ų22.90%0.00413%0.125CC..Hα-helixtrans-61.3-44.6175.4-82-76.6000111W1336 L1342 L1343 E1344 L1506 L1509 N1520 C1523 A1524 A1527W1336-F1340 HydrophobicContact CB-CD2 4.32Å; W1336-F1340 HydrophobicContact CB-CE2 4.49Å; W1336-F1340 HydrophobicContact CD2-CE2 4.39Å; W1336-F1340 HydrophobicContact CE3-CD2 4.18Å; W1336-F1340 AromaticContact CE3-CE2 3.7Å; W1336-F1340 HydrophobicContact CE3-CE2 3.7Å; W1336-F1340 HydrophobicContact CZ3-CE2 4.28Å; W1336-F1340 VanDerWaalsContact O-CD2 3.31Å; W1336-F1340 WeakPolarHBondContact O-CD2 3.38Å; W1336-F1340 PolarHBondContact O-N 3.06Å; F1340-L1342 VanDerWaalsContact C-N 3.3Å; F1340-L1342 PolarHBondContact O-N 3.08Å; F1340-L1343 HydrophobicContact CD1-CD1 4.46Å; F1340-L1343 WeakPolarHBondContact O-CB 3.03Å; F1340-L1343 PolarHBondContact O-N 3.04Å; F1340-L1343 VanDerWaalsContact O-N 3.09Å; F1340-E1344 WeakPolarHBondContact O-CG 3.33Å; F1340-E1344 PolarHBondContact O-N 3.11Å; F1340-L1506 HydrophobicContact CD1-CD1 4.3Å; F1340-L1506 HydrophobicContact CE1-CD1 3.67Å; F1340-L1509 HydrophobicContact CE1-CD1 4.05Å; F1340-L1509 HydrophobicContact CE2-CD1 4.47Å; F1340-L1509 HydrophobicContact CZ-CD1 3.76Å; F1340-N1520 HydrophobicContact CE2-CB 4Å; F1340-C1523 HydrophobicContact CB-CB 3.99Å; F1340-C1523 HydrophobicContact CD2-CB 3.64Å; F1340-C1523 HydrophobicContact CE2-CB 4.35Å; F1340-C1523 HydrophobicContact CG-CB 3.87Å; F1340-A1524 HydrophobicContact CE1-CB 3.99Å; F1340-A1524 HydrophobicContact CZ-CB 3.84Å; F1340-A1527 HydrophobicContact CD1-CB 3.75Å; F1340-A1527 HydrophobicContact CE1-CB 4.47Å
1341G85.6Confident82.6Confident4 Ų423.3 Ų23.34%0.04112%0.118CC..Hα-helixtrans-58-37.2173.700000113.9K1337 E1344 I1345K1337-G1341 PolarHBondContact O-N 3.19Å; G1341-E1344 PolarHBondContact O-N 3.17Å; G1341-I1345 WeakPolarHBondContact O-CB 3.3Å; G1341-I1345 VanDerWaalsContact O-CD1 3.31Å; G1341-I1345 WeakPolarHBondContact O-CD1 3.42Å; G1341-I1345 WeakPolarHBondContact O-CG1 3.45Å; G1341-I1345 PolarHBondContact O-N 3.3Å
1342L86.2Confident82.6Confident0 Ų022 Ų220%012%0.115CC..Hα-helixtrans-70.4-37.6173.5-77167.3000113F1241 L1244 Y1245 L1248 L1318 L1338 I1339 F1340 E1344 I1345 C1346F1241-L1342 HydrophobicContact CD1-CD1 4.09Å; L1244-L1342 HydrophobicContact CB-CD1 4.25Å; L1244-L1342 HydrophobicContact CB-CD2 4.07Å; Y1245-L1342 HydrophobicContact CD2-CG 4.5Å; L1248-L1342 HydrophobicContact CD1-CD2 3.78Å; L1318-L1342 HydrophobicContact CD1-CB 3.77Å; L1338-L1342 WeakPolarHBondContact O-CB 3.18Å; L1338-L1342 VanDerWaalsContact O-CG 3.26Å; L1338-L1342 WeakPolarHBondContact O-CG 3.37Å; L1338-L1342 PolarHBondContact O-N 2.91Å; I1339-L1342 PolarHBondContact O-N 3.01Å; F1340-L1342 VanDerWaalsContact C-N 3.3Å; F1340-L1342 PolarHBondContact O-N 3.08Å; L1342-E1344 VanDerWaalsContact C-N 3.32Å; L1342-I1345 PolarHBondContact O-N 2.94Å; L1342-C1346 WeakPolarHBondContact O-CB 3.43Å; L1342-C1346 PolarHBondContact O-N 2.98Å
1343L87.5Confident82.2Confident0 Ų024.3 Ų24.30%013%0.125CC..Hα-helixtrans-61.6-41.8172.6-67.5175.9000111.1I1315 L1318 I1339 F1340 G1347 C1505 L1509 F1531I1315-L1343 HydrophobicContact CD1-CD2 3.65Å; L1318-L1343 HydrophobicContact CB-CD2 4.47Å; L1318-L1343 HydrophobicContact CD1-CD2 4.02Å; L1318-L1343 HydrophobicContact CD1-CG 4.38Å; I1339-L1343 WeakPolarHBondContact O-CG 3.49Å; I1339-L1343 PolarHBondContact O-N 3.01Å; F1340-L1343 HydrophobicContact CD1-CD1 4.46Å; F1340-L1343 WeakPolarHBondContact O-CB 3.03Å; F1340-L1343 PolarHBondContact O-N 3.04Å; F1340-L1343 VanDerWaalsContact O-N 3.09Å; L1343-G1347 VanDerWaalsContact O-CA 3.26Å; L1343-G1347 WeakPolarHBondContact O-CA 3.31Å; L1343-G1347 PolarHBondContact O-N 3.05Å; L1343-C1505 HydrophobicContact CD2-CB 4.28Å; L1343-L1509 HydrophobicContact CD1-CD1 4.48Å; L1343-F1531 HydrophobicContact CB-CE2 4.45Å; L1343-F1531 WeakPolarHBondContact O-CZ 3.28Å
1344E89.1Confident80.8Confident4 Ų427.9 Ų27.92%0.01914%0.141CC..Iπ-helixtrans-66.6-45.4176.3-69.5168-171.700113.1F1340 G1341 L1342 A1348 G1349 R1350 A1527 V1530 F1531F1340-E1344 WeakPolarHBondContact O-CG 3.33Å; F1340-E1344 PolarHBondContact O-N 3.11Å; G1341-E1344 PolarHBondContact O-N 3.17Å; L1342-E1344 VanDerWaalsContact C-N 3.32Å; E1344-A1348 CarbonylContact O-C 3.6Å; E1344-A1348 WeakPolarHBondContact O-CA 3.35Å; E1344-A1348 WeakPolarHBondContact O-CB 3.48Å; E1344-A1348 PolarHBondContact O-N 3.31Å; E1344-A1348 VanDerWaalsContact O-N 3.13Å; E1344-G1349 PolarHBondContact O-N 3.22Å; E1344-R1350 HydrophobicContact CB-CB 4.03Å; E1344-R1350 PolarHBondContact O-N 3.17Å; E1344-R1350 IonicContact OE1-NH1 3.61Å; E1344-R1350 WeakPolarHBondContact OE2-CD 3.26Å; E1344-R1350 IonicContact OE2-CZ 3.11Å; E1344-R1350 IonicContact OE2-NE 2.75Å; E1344-R1350 IonicContact OE2-NH1 3.57Å; E1344-R1350 PolarHBondContact OE2-NH1 3.47Å; E1344-A1527 HydrophobicContact CG-CB 4.06Å; E1344-A1527 VanDerWaalsContact OE1-CA 3.22Å; E1344-A1527 WeakPolarHBondContact OE1-CA 3.45Å; E1344-A1527 WeakPolarHBondContact OE1-CB 3.26Å; E1344-A1527 PolarHBondContact OE1-N 2.85Å; E1344-V1530 HydrophobicContact CB-CG1 4.13Å; E1344-V1530 HydrophobicContact CG-CB 4.12Å; E1344-V1530 HydrophobicContact CG-CG1 4.09Å; E1344-V1530 HydrophobicContact CG-CG2 4.41Å; E1344-F1531 HydrophobicContact CG-CE2 4.4Å
1345I85.4Confident78.5Confident0 Ų032.4 Ų32.40%016%0.162CC..Iπ-helixtrans-64.6-51179.4-68.1158.9000110.2Y1245 L1248 L1249 M1256 G1341 L1342 G1349 R1350Y1245-I1345 HydrophobicContact CD2-CD1 3.5Å; Y1245-I1345 HydrophobicContact CE2-CD1 3.54Å; Y1245-I1345 HydrophobicContact CG-CD1 4.46Å; L1248-I1345 HydrophobicContact CB-CG2 3.82Å; L1249-I1345 HydrophobicContact CB-CD1 3.76Å; L1249-I1345 HydrophobicContact CD1-CD1 3.98Å; L1249-I1345 HydrophobicContact CD1-CG1 4.06Å; L1249-I1345 HydrophobicContact CG-CD1 4.45Å; M1256-I1345 HydrophobicContact CE-CG2 3.7Å; G1341-I1345 WeakPolarHBondContact O-CB 3.3Å; G1341-I1345 VanDerWaalsContact O-CD1 3.31Å; G1341-I1345 WeakPolarHBondContact O-CD1 3.42Å; G1341-I1345 WeakPolarHBondContact O-CG1 3.45Å; G1341-I1345 PolarHBondContact O-N 3.3Å; L1342-I1345 PolarHBondContact O-N 2.94Å; I1345-G1349 VanDerWaalsContact O-CA 3.3Å; I1345-G1349 WeakPolarHBondContact O-CA 3.35Å; I1345-G1349 PolarHBondContact O-N 3.34Å; I1345-R1350 HydrophobicContact CG1-CB 4.33Å
1346C84Confident76.2Confident0 Ų039 Ų390%020%0.197CC..Iπ-helixtrans-80.1-38.9-173.9-67.60000113.7M1256 A1311 V1314 I1315 L1342 T1498M1256-C1346 HydrophobicContact SD-CB 4.26Å; A1311-C1346 HydrophobicContact CB-CB 4.04Å; V1314-C1346 HydrophobicContact CB-CB 4.26Å; V1314-C1346 HydrophobicContact CG1-CB 4.26Å; I1315-C1346 HydrophobicContact CD1-CB 3.84Å; I1315-C1346 HydrophobicContact CG1-CB 4.05Å; L1342-C1346 WeakPolarHBondContact O-CB 3.43Å; L1342-C1346 PolarHBondContact O-N 2.98Å; C1346-T1498 VanDerWaalsContact O-CG2 3.24Å; C1346-T1498 WeakPolarHBondContact O-CG2 3.48Å
1347G82.5Confident73.3Confident0 Ų044.7 Ų44.70%023%0.232CC..Iπ-helixtrans-88.2-59.4-177.700000113.3L1343 L1499L1343-G1347 VanDerWaalsContact O-CA 3.26Å; L1343-G1347 WeakPolarHBondContact O-CA 3.31Å; L1343-G1347 PolarHBondContact O-N 3.05Å; G1347-L1499 VanDerWaalsContact O-CD1 3.28Å; G1347-L1499 WeakPolarHBondContact O-CD1 3.26Å
1348A83.2Confident70.6Confident0 Ų042.5 Ų42.50%024%0.243CC..Iπ-helixtrans-77.9-26.2-17800000113.3E1344 I1491 R1494 V1530 F1531 A1534E1344-A1348 CarbonylContact O-C 3.6Å; E1344-A1348 WeakPolarHBondContact O-CA 3.35Å; E1344-A1348 WeakPolarHBondContact O-CB 3.48Å; E1344-A1348 PolarHBondContact O-N 3.31Å; E1344-A1348 VanDerWaalsContact O-N 3.13Å; A1348-I1491 WeakPolarHBondContact O-CG2 3.43Å; A1348-R1494 WeakPolarHBondContact O-CD 3.44Å; A1348-V1530 HydrophobicContact CB-CG1 3.81Å; A1348-F1531 HydrophobicContact CB-CD1 3.92Å; A1348-F1531 HydrophobicContact CB-CD2 3.93Å; A1348-F1531 HydrophobicContact CB-CE1 3.96Å; A1348-F1531 HydrophobicContact CB-CE2 3.96Å; A1348-F1531 HydrophobicContact CB-CG 3.91Å; A1348-F1531 HydrophobicContact CB-CZ 3.97Å; A1348-A1534 HydrophobicContact CB-CB 3.92Å; A1348-A1534 WeakPolarHBondContact O-CB 3.44Å
1349G77.7Confident67.9Low5 Ų548.1 Ų48.15%0.05228%0.278CS..  trans93.324.3179.800000114.9E1344 I1345 G1492E1344-G1349 PolarHBondContact O-N 3.22Å; I1345-G1349 VanDerWaalsContact O-CA 3.3Å; I1345-G1349 WeakPolarHBondContact O-CA 3.35Å; I1345-G1349 PolarHBondContact O-N 3.34Å; G1349-G1492 PolarHBondContact O-N 3.3Å
1350R83.4Confident65.2Low47 Ų4754.6 Ų54.618%0.17732%0.318CS..BIsolated β-bridgetrans-58.3139.2179.7-175170.8-165.9175.110.2112E1344 I1345 V1489 E1526 V1530E1344-R1350 HydrophobicContact CB-CB 4.03Å; E1344-R1350 PolarHBondContact O-N 3.17Å; E1344-R1350 IonicContact OE1-NH1 3.61Å; E1344-R1350 WeakPolarHBondContact OE2-CD 3.26Å; E1344-R1350 IonicContact OE2-CZ 3.11Å; E1344-R1350 IonicContact OE2-NE 2.75Å; E1344-R1350 IonicContact OE2-NH1 3.57Å; E1344-R1350 PolarHBondContact OE2-NH1 3.47Å; I1345-R1350 HydrophobicContact CG1-CB 4.33Å; R1350-V1489 HydrophobicContact CB-CG2 4.38Å; R1350-V1489 HydrophobicContact CG-CG2 3.74Å; R1350-E1526 IonicContact CZ-OE1 3.42Å; R1350-E1526 IonicContact NH1-OE1 3.28Å; R1350-E1526 PolarHBondContact NH1-OE1 3.25Å; R1350-E1526 IonicContact NH2-OE1 3.73Å; R1350-E1526 PolarHBondContact NH2-OE1 2.85Å; R1350-V1530 HydrophobicContact CB-CG1 4.16Å
1351R77.9Confident62.2Low70 Ų7060.7 Ų60.726%0.26436%0.355SS..  trans-126.5160.3177-59.3-177.2179.6-171.7-3.6111.9E1253 V1490 G1492 S1493E1253-R1351 VanDerWaalsContact CD-NH2 3.25Å; E1253-R1351 VanDerWaalsContact CG-CZ 3.41Å; E1253-R1351 VanDerWaalsContact CG-NH2 3.33Å; E1253-R1351 IonicContact OE1-CZ 3.87Å; E1253-R1351 IonicContact OE1-NH1 3.38Å; E1253-R1351 PolarHBondContact OE1-NH1 3.37Å; E1253-R1351 IonicContact OE1-NH2 3.87Å; E1253-R1351 PolarHBondContact OE1-NH2 3.04Å; E1253-R1351 IonicContact OE2-CZ 3.16Å; E1253-R1351 IonicContact OE2-NH1 2.67Å; E1253-R1351 PolarHBondContact OE2-NH1 3.38Å; R1351-V1490 HydrophobicContact CB-CB 4.27Å; R1351-V1490 HydrophobicContact CB-CG1 4.12Å; R1351-V1490 PolarHBondContact N-O 2.88Å; R1351-G1492 VanDerWaalsContact NH2-CA 3.31Å; R1351-S1493 PolarHBondContact NH2-OG 3.05Å
1352A73.5Confident59.5Low30 Ų3067.4 Ų67.425%0.24840%0.396CS..  trans-57.9140.9163.200000111.2L1249L1249-A1352 HydrophobicContact CG-CB 4.29Å; L1249-A1352 PolarHBondContact O-N 3.02Å
1353N63.9Low56.5Low87 Ų8776.2 Ų76.247%0.46543%0.434SS..  trans-88.5107-179.9-162.91.5000110L1355 V1490N1353-L1355 PolarHBondContact O-N 3.09Å; N1353-V1490 HydrophobicContact CB-CG2 4.31Å; N1353-V1490 WeakPolarHBondContact OD1-CG2 3.35Å
1354I45.6Very low53.4Low136 Ų13681.1 Ų81.170%0.69747%0.467SS*.  trans-92.193.1-171.1-54.5178000110.4L1356I1354-L1356 HydrophobicContact CG2-CD1 3.87Å; I1354-L1356 HydrophobicContact CG2-CG 4.13Å
1355L31.7Very low50.2Low153 Ų15387.9 Ų87.980%0.80150%0.503SS*.  trans-95.2100.3173.3-85.6165.2000112.1N1353N1353-L1355 PolarHBondContact O-N 3.09Å
1356L31.4Very low47.4Very low140 Ų14093.8 Ų93.873%0.73354%0.544SS*.  trans-120.4131.1169.9-69.7166.4000107.3I1354I1354-L1356 HydrophobicContact CG2-CD1 3.87Å; I1354-L1356 HydrophobicContact CG2-CG 4.13Å
1357T26.8Very low44.5Very low125 Ų125100.8 Ų100.877%0.76758%0.577SS**  cis-156.4146.4-4.932.20000111.1
1358G25.4Very low41.8Very low72 Ų72109.7 Ų109.774%0.74262%0.619SS**  trans83.9109.9130.800000121.2
1359T29.4Very low39Very low136 Ų136116.1 Ų116.183%0.83465%0.647SS**  -156.4117.4128.4-7.20000112.6
1360T28.9Very low36.5Very low137 Ų137125.4 Ų125.484%0.8469%0.686SS**  trans41.5118.3155.653.50000121.4
1361V26.8Very low33.6Very low128 Ų128128.1 Ų128.178%0.77671%0.712SS**  trans-84143.7171.5172.60000112.8K1363V1361-K1363 HydrophobicContact CG1-CG 4.39Å
1362T29.2Very low31.1Very low145 Ų145136 Ų13689%0.8974%0.743SS**  trans-125.1158.8145.248.80000109.6
1363K23.9Very low28.8Very low186 Ų186139.7 Ų139.781%0.80977%0.767SS**  trans-105.7167.9-153.9-74.4-170.3169.8-1690116.1V1361V1361-K1363 HydrophobicContact CG1-CG 4.39Å
1364C21.9Very low26.9Very low102 Ų102139.6 Ų139.669%0.68977%0.774SS**  trans85.7141.5157.2-590000117.6
1365D22.4Very low25.9Very low147 Ų147138 Ų13879%0.78678%0.775SS**  cis-166.1127.9-20.2-99.2-24.1000108.9
1366S27.1Very low25.6Very low123 Ų123136.7 Ų136.786%0.8677%0.768SS**  trans-173.3116.1155.256.50000110.3
1367E22.3Very low25.3Very low148 Ų148137 Ų13769%0.69277%0.769SS**  trans-88.1148.9176-48.8-173139.900111.4K1369E1367-K1369 WeakPolarHBondContact OE1-CE 3.37Å; E1367-K1369 IonicContact OE1-NZ 3.88Å; E1367-K1369 PolarHBondContact OE1-NZ 3.14Å; E1367-K1369 WeakPolarHBondContact OE2-CE 3.22Å; E1367-K1369 IonicContact OE2-NZ 2.73Å; E1367-K1369 PolarHBondContact OE2-NZ 2.91Å
1368E26.2Very low25.3Very low187 Ų187136.7 Ų136.787%0.87477%0.77SS**  trans-142.9129.2136.5-140.9169.8-13400109.8
1369K23.3Very low25.3Very low135 Ų135144.5 Ų144.559%0.58778%0.777SS**  trans-115.1140.7-169.9-69.6165.5178.6145.30110.2E1367E1367-K1369 WeakPolarHBondContact OE1-CE 3.37Å; E1367-K1369 IonicContact OE1-NZ 3.88Å; E1367-K1369 PolarHBondContact OE1-NZ 3.14Å; E1367-K1369 WeakPolarHBondContact OE2-CE 3.22Å; E1367-K1369 IonicContact OE2-NZ 2.73Å; E1367-K1369 PolarHBondContact OE2-NZ 2.91Å
1370F24.8Very low25Very low200 Ų200146.6 Ų146.688%0.87777%0.774SS**  trans-122.888.3159.6-85-78.6000111.3
1371S22.9Very low24.8Very low103 Ų103148.9 Ų148.972%0.7278%0.778SS**  trans-92.5125.4169.455.60000110.5
1372Y26.6Very low24.7Very low235 Ų235148.3 Ų148.392%0.92278%0.779SS**  trans-86.9131.8162.7-98.1-90.4000110.4
1373S24.8Very low24.6Very low108 Ų108144.9 Ų144.976%0.75577%0.766SS**  trans-125.6137.7169.3-175.10000109
1374S23.6Very low24.8Very low86 Ų86143.2 Ų143.260%0.60177%0.766SS**  trans-83.9157.6-175.6-49.30000112.8
1375S24.8Very low24.9Very low103 Ų103147 Ų14772%0.7277%0.773SS**  trans72141.4160.8158.20000116
1376D25.1Very low25.2Very low124 Ų124145.6 Ų145.666%0.66377%0.772SS**  cis-154.6164.8-4.4-111.2-43.2000114.7
1377I25.4Very low25.4Very low146 Ų146145.7 Ų145.775%0.74977%0.772SS**  trans10.9116.4152.1-54.8156.9000118.7
1378P27Very low25.6Very low120 Ų120145.4 Ų145.478%0.77978%0.775SS**  trans-106.5112.3167.435.1-28.7000114.6
1379R25.7Very low25.9Very low235 Ų235141.3 Ų141.389%0.88777%0.765SS**  trans-172.3143.3151.5-99.2156-160.6-162.26107.2
1380K22.8Very low25.9Very low180 Ų180144.9 Ų144.978%0.78378%0.777SS**  cis-159.2159.626.6-141.8170.7-172.7177.30110
1381M24.7Very low26.2Very low185 Ų185145 Ų14591%0.91178%0.777SS**  trans67.9152.3172.5-63.9170.7155.700116.1
1382S23.8Very low26.3Very low116 Ų116145 Ų14581%0.81178%0.777SS**  cis-165.6166.6-29.5-164.30000109.6
1383A28.5Very low26.2Very low73 Ų73138.7 Ų138.760%0.60377%0.767SS**  trans69.8101.4164.400000120.1
1384N27Very low26.3Very low151 Ų151142.9 Ų142.981%0.80777%0.766SS**  66.5110.8122.9-53.5-11000121.6
1385H23.9Very low26.5Very low183 Ų183142 Ų14285%0.84777%0.77SS**  7.6158.4112.1-69.1-48.1000120.2
1386P29.7Very low26.6Very low116 Ų116147.3 Ų147.375%0.75378%0.776SS**  cis-139.915514.837.2-18.5000118.1
1387S31.1Very low26.7Very low125 Ų125146.6 Ų146.687%0.87478%0.776SS**  trans-168.9122.2130.843.50000113
1388N25.1Very low27Very low142 Ų142144.6 Ų144.676%0.75978%0.775SS**  trans-121.7-177.2170.3-141.4-1.8000105.4
1389P32.9Very low27Very low102 Ų102145.1 Ų145.166%0.66277%0.771SS**  cis-136.8165.8-12.935-14.4000116.7
1390Y24.6Very low27.3Very low210 Ų210140 Ų14082%0.82477%0.772SS**  trans28.6115.7145.1-72.4-96.3000123.1
1391K29.2Very low27.4Very low203 Ų203140 Ų14088%0.88377%0.774SS**  trans-167133.4137.6-103.9179.1-179.3-1760107.2
1392S25.9Very low27.4Very low102 Ų102136.6 Ų136.671%0.71376%0.764SS**  cis91.5105.918.6-152.50000117
1393S24.8Very low27.6Very low103 Ų103139 Ų13972%0.7276%0.763SS**  trans70.5123.1143.963.40000125.5
1394R27.1Very low27.3Very low196 Ų196143.6 Ų143.674%0.7477%0.771SS**  trans62.1137.3140-74.4-177.7169.7147.32.6122.5E1655R1394-E1655 IonicContact CZ-OE1 3.33Å; R1394-E1655 IonicContact NH1-OE1 2.61Å; R1394-E1655 PolarHBondContact NH1-OE1 3.14Å; R1394-E1655 IonicContact NH1-OE2 2.79Å; R1394-E1655 IonicContact NH2-OE1 3.55Å; R1394-E1655 PolarHBondContact NH2-OE1 3.24Å
1395G27.2Very low27.1Very low66 Ų66143 Ų14368%0.6877%0.773SS**  trans131.8144.515900000115.4
1396Y28.1Very low27Very low216 Ų216140.6 Ų140.685%0.84777%0.771SS**  cis-157.5129.5-3.8-130.3-105.3000111.4
1397T25.6Very low26.7Very low109 Ų109142.4 Ų142.467%0.66977%0.769SS**  trans38.8139.4144.264.10000125.2
1398S31.4Very low26.3Very low104 Ų104144.1 Ų144.173%0.72776%0.763SS**  157.7142.9122.1-179.30000112
1399D27Very low26.3Very low130 Ų130143.5 Ų143.570%0.69576%0.764SS**  cis-166.5148.8-29-81.6-45000108.5
1400S32.2Very low25.8Very low128 Ų128147.5 Ų147.590%0.89577%0.774SS**  trans172.1124.8147-79.50000113.5
1401E25.7Very low25.7Very low180 Ų180142 Ų14284%0.84177%0.773SS**  trans-90.1169.7-159.8-48165.9109.800117.3
1402T25.5Very low25.5Very low114 Ų114139.8 Ų139.870%0.69978%0.776SS**  trans70.1151.9151.957.20000120.4
1403H26.6Very low25.3Very low167 Ų167139.4 Ų139.477%0.77378%0.779SS**  cis-146.3178.56.6-112.9-44.9000112.1
1404H22.2Very low25.2Very low168 Ų168140 Ų14078%0.77878%0.782SS**  trans-57.1161.4173-54.3-87.5000113.1
1405T23.3Very low25.2Very low140 Ų140140 Ų14086%0.85979%0.788SS**  -162.7168.155.342.50000115.7
1406V21.5Very low25.1Very low132 Ų132141.8 Ų141.880%0.879%0.79SS**  trans-49.9134.7173177.20000115.5
1407H24.4Very low24.8Very low154 Ų154142 Ų14271%0.71379%0.791SS**  trans-164.4148.2131.1-126.3-108.5000115.2
1408E22.7Very low24.6Very low160 Ų160140.9 Ų140.975%0.74879%0.787SS**  trans38.1135.7153.6-84.4168.5151.900126
1409V23.5Very low24.4Very low129 Ų129144.8 Ų144.878%0.78279%0.794SS**  trans-61.2123.6150.4175.40000111
1410Q22.4Very low24.2Very low186 Ų186146.7 Ų146.787%0.86980%0.803SS**  trans169.6100.9141.4-97.4169.136.300112.4
1411A22.8Very low23.7Very low96 Ų96145.4 Ų145.479%0.79379%0.794SS**  trans-164.979167.500000116.3
1412V25.6Very low23.6Very low156 Ų156141.5 Ų141.595%0.94579%0.787SS**SBendtrans-143.867.7145-167.50000110.1
1413A22.7Very low23.6Very low94 Ų94141.4 Ų141.478%0.77779%0.791SS**  trans-154.551.8175.200000112.1
1414S22.3Very low23.5Very low114 Ų114140.7 Ų140.780%0.79779%0.792SS**  trans-158.399.6-178.9-77.90000114.9
1415K25.7Very low23.5Very low196 Ų196141.3 Ų141.385%0.85280%0.798SS**  179.6103.9128.8-96.8156.2-174.8174.60109.2
1416S25Very low23.4Very low104 Ų104142.1 Ų142.173%0.72779%0.79SS**  83.985.393.6-64.10000111.1
1417Y22.7Very low23.5Very low222 Ų222142.1 Ų142.187%0.87179%0.79SS**  53.4120.481-89.2-82.5000115.9
1418S21.8Very low23.5Very low84 Ų84140 Ų14059%0.58779%0.793SS**  trans48.8110150.260.30000119.4
1419H26.1Very low23.7Very low186 Ų186134.2 Ų134.286%0.86178%0.775SS**  -152.3100.4105.9-110-76.1000111S1421H1419-S1421 PolarHBondContact O-N 3.42Å
1420L23Very low23.9Very low171 Ų171135 Ų13590%0.89578%0.775SS**  trans-84.3101172-79.878.7000109.6
1421S23.1Very low24.4Very low100 Ų100133 Ų13370%0.69977%0.77SS**  trans-159.9104.4151.5-155.10000107.7H1419H1419-S1421 PolarHBondContact O-N 3.42Å
1422S23.8Very low24.8Very low99 Ų99131.5 Ų131.569%0.69276%0.764SS**  100.6106.280-66.60000110.9
1423S23.7Very low24.7Very low112 Ų112132 Ų13278%0.78376%0.756SS**  trans72.2132146-520000120.3
1424N24.9Very low25Very low151 Ų151135.1 Ų135.181%0.80776%0.755SS**  trans7.7121.9130.6-54.5-4.2000116.1
1425M22.4Very low25.1Very low181 Ų181136.4 Ų136.489%0.89275%0.75SS**PPolyproline II helixtrans-65.4136.9153-164.8-175.980.100109V1427M1425-V1427 PolarHBondContact O-N 3.3Å
1426F22.5Very low25.2Very low157 Ų157136.7 Ų136.769%0.68975%0.754SS**PPolyproline II helixtrans-54.3132.1165.4-89.4-118.2000111
1427V22.8Very low25.2Very low132 Ų132139.5 Ų139.580%0.875%0.753SS**SBend-77.2149.5117.2172.90000106.5M1425 G1429M1425-V1427 PolarHBondContact O-N 3.3Å; V1427-G1429 PolarHBondContact O-N 3.01Å
1428S24.4Very low25.3Very low111 Ų111138.4 Ų138.478%0.77675%0.753SS**  trans-34.6135.6176.2-50.40000112.9
1429G27.8Very low25.4Very low37 Ų37139.2 Ų139.238%0.38176%0.759SS.*  cis104.8138.63400000108.8V1427V1427-G1429 PolarHBondContact O-N 3.01Å
1430N27.3Very low25.3Very low146 Ų146135.9 Ų135.978%0.78176%0.756SS**  trans65.1143.1179.9-70.355.2000114.7
1431D31.3Very low25.3Very low143 Ų143133.1 Ų133.177%0.76575%0.752SS**  cis-156166.8-5.2-92.2-33.8000109.4
1432G31.5Very low25.9Very low65 Ų65137 Ų13767%0.6776%0.758SS**  trans93.1131167.600000114.4
1433E25Very low26.2Very low166 Ų166138.5 Ų138.578%0.77676%0.764SS**  cis61.913722.5-50.6-149.3104.100114.8
1434Q27.9Very low26.2Very low160 Ų160139.9 Ų139.975%0.74876%0.761SS**  cis-150.3164.34.2-133.2172.354.200113.1
1435M24.8Very low26.1Very low142 Ų142140 Ų14070%0.776%0.756SS**  trans-79.7153.8-174.4-43.116679.900113.4
1436Q28.5Very low26.1Very low201 Ų201139.1 Ų139.194%0.93975%0.75SS**  trans-143.4166.2143.1-109178.924.700111.6
1437K24.2Very low26.2Very low163 Ų163135.4 Ų135.471%0.70975%0.749SS**  trans-141.8153.6-162.2-72.1178.9173174.20112.8
1438K24.3Very low26.2Very low199 Ų199137.2 Ų137.287%0.86575%0.748SS**  trans70.9152.4167.1-65.1178.8177.7-175.30114.7
1439S24.8Very low26.2Very low102 Ų102138.4 Ų138.471%0.71375%0.746SS**  cis-179.4155.8-10.447.60000108.8
1440S23Very low26Very low115 Ų115143.3 Ų143.380%0.80476%0.763SS**  cis-179.2-170.1-13.353.40000108.5
1441S23.1Very low25.9Very low114 Ų114141.8 Ų141.880%0.79776%0.76SS**  trans97.1154.2173.7-1540000115.8
1442E35.3Very low25.5Very low180 Ų180139.4 Ų139.484%0.84175%0.75SS**  trans-76178.3-165-59.8162.8119.800115
1443V30Very low25.2Very low132 Ų132142.5 Ų142.580%0.875%0.751SS**  trans89.8134-153.6175.40000110.4
1444I24.5Very low25.2Very low141 Ų141137.9 Ų137.972%0.72373%0.734SS**  cis161.9154.2-22.5-99.1165.4000104.6
1445E22.6Very low25Very low153 Ų153135.3 Ų135.372%0.71573%0.734SS**  trans80.7125.2168.9-84.4-172.9127.200121.8
1446Q23.7Very low25.1Very low162 Ų162137.2 Ų137.276%0.75774%0.741SS**  trans68.2158.9142.8-60.3171.82900119.9
1447A22.7Very low24.8Very low80 Ų80133 Ų13366%0.66173%0.734SS**  cis-172.7165.2-34.600000109.4
1448E24.5Very low24.9Very low170 Ų170135.7 Ų135.779%0.79474%0.741SS**  trans67.5127.3163.5-60.6-175.7155.100117.5
1449N23.2Very low24.9Very low135 Ų135131.9 Ų131.972%0.72273%0.727SS**  62.9136.391.3-46.8-17.8000113.3
1450D23.9Very low24.9Very low140 Ų140133.1 Ų133.175%0.74973%0.73SS**  cis-155-168.54.5-132.2-31.5000107.4
1451T24.5Very low25.2Very low115 Ų115134.9 Ų134.971%0.70673%0.728SS**  cis-157.7177.319.2-14.40000111.9
1452T24.1Very low25.4Very low93 Ų93137.5 Ų137.557%0.57173%0.728SS**  trans-31142.1163.151.60000118.3P1266P1266-T1452 HydrophobicContact CG-CG2 3.88Å
1453D24.9Very low25Very low129 Ų129134.8 Ų134.869%0.6971%0.713SS**  -156.2135.879.4-122.616.5000117.6
1454V24.5Very low24.9Very low69 Ų69135.1 Ų135.142%0.41871%0.71SS.*  trans36.4108.4141.4-173.80000121.3L1265L1265-V1454 HydrophobicContact CD1-CG1 4.35Å; L1265-V1454 HydrophobicContact CD2-CG1 4.27Å; L1265-V1454 HydrophobicContact CD2-CG2 3.7Å; L1265-V1454 HydrophobicContact CG-CG2 4.23Å
1455S24.7Very low25.2Very low107 Ų107131.8 Ų131.875%0.74870%0.697SS**  -177.5166.9120-810000113.3
1456E26.3Very low25.6Very low181 Ų181129.8 Ų129.885%0.84669%0.692SS**  trans59.2101.7166.2-68.9179.6-179.600119.2
1457S23Very low25.9Very low113 Ų113130 Ų13079%0.7969%0.69SS**  trans-116.8155.9155-65.10000108.9
1458Y24.7Very low26.3Very low219 Ų219132 Ų13286%0.85969%0.687SS**SBendtrans8342.3-178.1-66.8-84000119.3
1459E24.7Very low26.8Very low120 Ų120125.8 Ų125.856%0.56167%0.665SS**  trans-128.23.1173.5-119.1-101.9153.600115.6K1463E1459-K1463 WeakPolarHBondContact OE1-CE 3.14Å; E1459-K1463 IonicContact OE1-NZ 2.72Å; E1459-K1463 PolarHBondContact OE1-NZ 3.45Å; E1459-K1463 IonicContact OE2-NZ 3.18Å; E1459-K1463 PolarHBondContact OE2-NZ 3.37Å
1460V26Very low27.3Very low127 Ų127127.2 Ų127.277%0.7767%0.667SS**SBendtrans-96.8-25.6-160.7-179.70000115.8
1461I28.6Very low27.9Very low152 Ų152127.4 Ų127.478%0.77967%0.667SS**SBendtrans-83.3-27.6-162.8-67.2178.5000114.8
1462H28Very low28.6Very low170 Ų170125.7 Ų125.779%0.78766%0.656SS**SBendtrans-98.5-0.5-174.2-79.9-85.9000116.2
1463K26.1Very low29.3Very low122 Ų122126 Ų12653%0.5365%0.647SS.*SBendtrans-98.31.8-174.5-70.2-176.5-178.5176.10115.7E1459E1459-K1463 WeakPolarHBondContact OE1-CE 3.14Å; E1459-K1463 IonicContact OE1-NZ 2.72Å; E1459-K1463 PolarHBondContact OE1-NZ 3.45Å; E1459-K1463 IonicContact OE2-NZ 3.18Å; E1459-K1463 PolarHBondContact OE2-NZ 3.37Å
1464L27.3Very low29.7Very low139 Ų139123.4 Ų123.473%0.72865%0.65SS**SBendtrans-78.6-39.4-170.9-14569.7000116.1
1465P31.1Very low30.3Very low71 Ų71129.7 Ų129.746%0.46167%0.672SS.*G310 helixtrans-67-47.1-178.6-21.633.4000113.3K1467 M1468 A1469P1465-K1467 PolarHBondContact O-N 2.97Å; P1465-M1468 PolarHBondContact O-N 2.97Å; P1465-M1468 VanDerWaalsContact O-N 3.15Å; P1465-A1469 PolarHBondContact O-N 3.26Å
1466N30.3Very low31.6Very low112 Ų112127.1 Ų127.160%0.59965%0.654SS**G310 helixtrans-63.7-12.4-170.2-73.7-11.8000114.9
1467K30.1Very low33.1Very low165 Ų165124 Ų12472%0.71765%0.653SS**G310 helixtrans-102-13.9-179.3-133.3174.7-174.1177.80114.5P1465P1465-K1467 PolarHBondContact O-N 2.97Å
1468M33.1Very low35.2Very low122 Ų122120.5 Ų120.560%0.60162%0.624SS**THydrogen-bonded Turntrans-93.4-39.2171.3-94175.6161.100112.1P1465 Q1470 I1471P1465-M1468 PolarHBondContact O-N 2.97Å; P1465-M1468 VanDerWaalsContact O-N 3.15Å; M1468-Q1470 PolarHBondContact O-N 2.86Å; M1468-Q1470 VanDerWaalsContact O-N 3.09Å; M1468-I1471 PolarHBondContact O-N 3.11Å
1469A34Very low37.7Very low40 Ų40111.4 Ų111.433%0.33159%0.591SS.*Hα-helixtrans-58.1-25.1177.400000114.1P1465 I1471P1465-A1469 PolarHBondContact O-N 3.26Å; A1469-I1471 VanDerWaalsContact C-N 3.35Å; A1469-I1471 PolarHBondContact O-N 3.37Å
1470Q33.6Very low40.3Very low166 Ų166107 Ų10778%0.77657%0.571SS**Hα-helixtrans-80.6-6.1178.8-69.6-172-11.100114.9M1468M1468-Q1470 PolarHBondContact O-N 2.86Å; M1468-Q1470 VanDerWaalsContact O-N 3.09Å
1471I36.9Very low42.7Very low143 Ų143103.6 Ų103.673%0.73355%0.553SS**Hα-helixtrans-100.5-22-173-64178.9000112.7M1468 A1469M1468-I1471 PolarHBondContact O-N 3.11Å; A1469-I1471 VanDerWaalsContact C-N 3.35Å; A1469-I1471 PolarHBondContact O-N 3.37Å
1472T39.1Very low45Very low80 Ų8097.1 Ų97.149%0.49152%0.52SS..Hα-helixtrans-108.8-31-177.747.90000114.6G1474T1472-G1474 VanDerWaalsContact C-N 3.27Å; T1472-G1474 PolarHBondContact O-N 3.08Å
1473W38.9Very low47.1Very low100 Ų10094.1 Ų94.138%0.37951%0.509SS..  trans-87.239.9-170.4-719.4000115.1K1475W1473-K1475 PolarHBondContact O-N 3.01Å
1474G32.6Very low49.7Very low73 Ų7391 Ų9175%0.75350%0.501SS*.THydrogen-bonded Turntrans-70.1-7.7-177.600000116.3T1472T1472-G1474 VanDerWaalsContact C-N 3.27Å; T1472-G1474 PolarHBondContact O-N 3.08Å
1475K38.1Very low52.3Low202 Ų20284.6 Ų84.688%0.87847%0.467SS*.THydrogen-bonded Turntrans-152.469.4-176.8-68.7-171.9179.8178.40114.5W1473W1473-K1475 PolarHBondContact O-N 3.01Å
1476S51.1Low54.6Low52 Ų5283.1 Ų83.136%0.36446%0.458SS..  trans-170.5123.8141.7-1730000110.7L1478S1476-L1478 PolarHBondContact O-N 3.3Å; S1476-L1478 PolarHBondContact OG-N 3.16Å
1477S58.5Low57.1Low117 Ų11780.4 Ų80.482%0.81844%0.44SS*.SBendtrans-82.66.2172.950.40000113.4
1478L67.2Low59.4Low38 Ų3880 Ų8020%0.19944%0.441CS..SBendtrans-93.5-24.4-174.1-61.8172.7000113.6S1476 I1821 R1822 A1825S1476-L1478 PolarHBondContact O-N 3.3Å; S1476-L1478 PolarHBondContact OG-N 3.16Å; L1478-I1821 HydrophobicContact CD1-CG2 3.66Å; L1478-I1821 HydrophobicContact CD2-CG2 4.09Å; L1478-R1822 PolarHBondContact O-NE 2.94Å; L1478-A1825 HydrophobicContact CB-CB 4.17Å; L1478-A1825 HydrophobicContact CD1-CB 3.77Å
1479L76.1Confident61.6Low29 Ų2975.5 Ų75.515%0.15242%0.42CS..PPolyproline II helixtrans-77.5142.7-179-56.7179.1000111.9Y1826 Q1829L1479-Y1826 HydrophobicContact CD2-CD1 4Å; L1479-Y1826 HydrophobicContact CD2-CD2 4.21Å; L1479-Y1826 HydrophobicContact CD2-CE1 3.75Å; L1479-Y1826 HydrophobicContact CD2-CE2 3.94Å; L1479-Y1826 HydrophobicContact CD2-CG 4.22Å; L1479-Q1829 HydrophobicContact CD1-CG 4.21Å; L1479-Q1829 HydrophobicContact CD2-CG 4.22Å
1480I79.9Confident63.7Low27 Ų2776.1 Ų76.114%0.13842%0.42CS..PPolyproline II helixtrans-102.7136.9177.2-54-177.5000109.1V1484 N1742 F1746 P1747 S1750 Y1826I1480-V1484 HydrophobicContact CG2-CG2 3.9Å; I1480-N1742 HydrophobicContact CD1-CB 3.9Å; I1480-N1742 VanDerWaalsContact CD1-O 3.28Å; I1480-N1742 WeakPolarHBondContact CD1-O 3.34Å; I1480-F1746 HydrophobicContact CB-CB 4.49Å; I1480-F1746 HydrophobicContact CD1-CB 4.01Å; I1480-F1746 HydrophobicContact CD1-CD2 4.11Å; I1480-F1746 HydrophobicContact CG1-CB 4.39Å; I1480-P1747 HydrophobicContact CB-CG 4.5Å; I1480-P1747 HydrophobicContact CG2-CG 3.94Å; I1480-S1750 WeakPolarHBondContact O-CB 3.39Å; I1480-S1750 PolarHBondContact O-OG 2.78Å; I1480-Y1826 PolarHBondContact N-OH 3.23Å; I1480-Y1826 PolarHBondContact O-OH 3.2Å
1481S77Confident65.8Low56 Ų5670 Ų7039%0.39239%0.392SS..PPolyproline II helixtrans-64.2138.2-178.7-177.60000112.4L1483 V1484S1481-L1483 PolarHBondContact O-N 3.2Å; S1481-L1483 PolarHBondContact OG-N 3.28Å; S1481-V1484 WeakPolarHBondContact O-CG2 3.44Å; S1481-V1484 PolarHBondContact O-N 3.17Å
1482P75.9Confident67.4Low15 Ų1563.7 Ų63.710%0.09736%0.362CS..G310 helixtrans-66-16.117626.5-31.3000113.4V1484 L1485 E1754P1482-V1484 PolarHBondContact O-N 3.25Å; P1482-V1484 VanDerWaalsContact O-N 3.11Å; P1482-L1485 PolarHBondContact O-N 3.46Å; P1482-L1485 VanDerWaalsContact O-N 3.1Å; P1482-E1754 VanDerWaalsContact CG-OE2 3.27Å; P1482-E1754 WeakPolarHBondContact CG-OE2 3.41Å
1483L73.1Confident68.7Low107 Ų10761.8 Ų61.856%0.5635%0.352SS*.G310 helixtrans-57.6-21.5172.2-113.769.8000113.2S1481 L1485 S1486S1481-L1483 PolarHBondContact O-N 3.2Å; S1481-L1483 PolarHBondContact OG-N 3.28Å; L1483-L1485 PolarHBondContact O-N 3.03Å; L1483-S1486 WeakPolarHBondContact O-CB 3.48Å; L1483-S1486 PolarHBondContact O-N 3.38Å; L1483-S1486 PolarHBondContact O-OG 3.08Å
1484V80.9Confident70.2Confident57 Ų5758.6 Ų58.635%0.34534%0.34SS..G310 helixtrans-61.9-23.9175.8175.20000112.6I1480 S1481 P1482 Q1699 E1743 P1747I1480-V1484 HydrophobicContact CG2-CG2 3.9Å; S1481-V1484 WeakPolarHBondContact O-CG2 3.44Å; S1481-V1484 PolarHBondContact O-N 3.17Å; P1482-V1484 PolarHBondContact O-N 3.25Å; P1482-V1484 VanDerWaalsContact O-N 3.11Å; V1484-Q1699 PolarHBondContact O-NE2 3.23Å; V1484-E1743 HydrophobicContact CG1-CB 4.5Å; V1484-P1747 HydrophobicContact CB-CB 4.16Å; V1484-P1747 HydrophobicContact CB-CG 3.85Å; V1484-P1747 HydrophobicContact CG1-CG 3.89Å
1485L82Confident72Confident4 Ų456 Ų562%0.02131%0.309CS..G310 helixtrans-78.7-21.8172.4-63-177.7000113.5P1482 L1483 Q1699 A1702 R1703 P1747 L1748P1482-L1485 PolarHBondContact O-N 3.46Å; P1482-L1485 VanDerWaalsContact O-N 3.1Å; L1483-L1485 PolarHBondContact O-N 3.03Å; L1485-Q1699 HydrophobicContact CD2-CB 4.43Å; L1485-Q1699 HydrophobicContact CD2-CG 4.26Å; L1485-A1702 HydrophobicContact CD1-CB 3.94Å; L1485-A1702 HydrophobicContact CD2-CB 3.89Å; L1485-R1703 HydrophobicContact CB-CB 4.21Å; L1485-P1747 HydrophobicContact CD1-CB 4.26Å; L1485-P1747 HydrophobicContact CD2-CB 3.87Å; L1485-P1747 HydrophobicContact CG-CB 3.63Å; L1485-L1748 HydrophobicContact CD1-CB 4.16Å
1486S78Confident73.6Confident40 Ų4048.9 Ų48.928%0.2828%0.283SS..SBendtrans-76.2143.2-173.769.40000111.7L1483 E1533L1483-S1486 WeakPolarHBondContact O-CB 3.48Å; L1483-S1486 PolarHBondContact O-N 3.38Å; L1483-S1486 PolarHBondContact O-OG 3.08Å; S1486-E1533 WeakPolarHBondContact CA-OE1 3.48Å
1487Y82.6Confident74.7Confident56 Ų5649 Ų4922%0.2228%0.282CS..  trans-93.9128.9170.1-169-125.1000109.6V1489 E1526 R1529 V1530 E1533Y1487-V1489 VanDerWaalsContact C-N 3.33Å; Y1487-V1489 HydrophobicContact CD1-CB 4.09Å; Y1487-V1489 HydrophobicContact CD1-CG1 3.88Å; Y1487-V1489 HydrophobicContact CE1-CB 4.36Å; Y1487-V1489 PolarHBondContact O-N 3.25Å; Y1487-E1526 HydrophobicContact CE1-CG 4.08Å; Y1487-E1526 WeakPolarHBondContact OH-CG 3.23Å; Y1487-E1526 PolarHBondContact OH-OE1 3.11Å; Y1487-R1529 HydrophobicContact CD1-CB 3.95Å; Y1487-R1529 HydrophobicContact CG-CB 4.02Å; Y1487-V1530 HydrophobicContact CD1-CG2 3.89Å; Y1487-V1530 HydrophobicContact CE1-CG2 3.64Å; Y1487-E1533 PolarHBondContact N-OE1 3.2Å; Y1487-E1533 VanDerWaalsContact N-OE1 3.14Å
1488E78.8Confident75.6Confident157 Ų15743.4 Ų43.473%0.73424%0.243SC*.  trans-76.983.5-176-166.5-179166.300110.8
1489V78.8Confident76.5Confident26 Ų2641.7 Ų41.716%0.15823%0.233CC..  trans-135.5132.5179.859.80000111.2R1350 Y1487 I1491 V1530 E1533R1350-V1489 HydrophobicContact CB-CG2 4.38Å; R1350-V1489 HydrophobicContact CG-CG2 3.74Å; Y1487-V1489 VanDerWaalsContact C-N 3.33Å; Y1487-V1489 HydrophobicContact CD1-CB 4.09Å; Y1487-V1489 HydrophobicContact CD1-CG1 3.88Å; Y1487-V1489 HydrophobicContact CE1-CB 4.36Å; Y1487-V1489 PolarHBondContact O-N 3.25Å; V1489-I1491 HydrophobicContact CG1-CD1 3.91Å; V1489-I1491 HydrophobicContact CG1-CG1 3.99Å; V1489-I1491 HydrophobicContact CG2-CG1 4.27Å; V1489-I1491 PolarHBondContact O-N 3.04Å; V1489-V1530 HydrophobicContact CG2-CG1 4.2Å; V1489-V1530 HydrophobicContact CG2-CG2 4.36Å; V1489-E1533 HydrophobicContact CG1-CB 4.09Å; V1489-E1533 HydrophobicContact CG1-CG 4.33Å
1490V78Confident76.8Confident54 Ų5443.4 Ų43.433%0.32724%0.241SC..  trans-81.1117.5174.2-177.80000108.8R1351 N1353R1351-V1490 HydrophobicContact CB-CB 4.27Å; R1351-V1490 HydrophobicContact CB-CG1 4.12Å; R1351-V1490 PolarHBondContact N-O 2.88Å; N1353-V1490 HydrophobicContact CB-CG2 4.31Å; N1353-V1490 WeakPolarHBondContact OD1-CG2 3.35Å
1491I78.9Confident76.9Confident36 Ų3645.6 Ų45.619%0.18525%0.25CS..BIsolated β-bridgetrans-112.5129.4-176.2-60.7-174.6000110.4A1348 V1489 E1533 A1534A1348-I1491 WeakPolarHBondContact O-CG2 3.43Å; V1489-I1491 HydrophobicContact CG1-CD1 3.91Å; V1489-I1491 HydrophobicContact CG1-CG1 3.99Å; V1489-I1491 HydrophobicContact CG2-CG1 4.27Å; V1489-I1491 PolarHBondContact O-N 3.04Å; I1491-E1533 VanDerWaalsContact CD1-C 3.44Å; I1491-E1533 HydrophobicContact CD1-CB 3.6Å; I1491-A1534 HydrophobicContact CD1-CB 4.02Å; I1491-A1534 HydrophobicContact CG2-CB 4.38Å
1492G70.7Confident77.4Confident11 Ų1142.9 Ų42.911%0.11323%0.232CC..  trans-91.4-176.6-176.100000116.5G1349 R1351G1349-G1492 PolarHBondContact O-N 3.3Å; R1351-G1492 VanDerWaalsContact NH2-CA 3.31Å
1493S66.7Low78.1Confident40 Ų4042.2 Ų42.228%0.2823%0.227SC..  trans-52.1134154.2430000110.5Y1257 R1351Y1257-S1493 WeakPolarHBondContact CD2-O 3.23Å; Y1257-S1493 VanDerWaalsContact CE2-O 3.23Å; Y1257-S1493 WeakPolarHBondContact CE2-O 3.31Å; R1351-S1493 PolarHBondContact NH2-OG 3.05Å
1494R68.5Low78.7Confident34 Ų3441.1 Ų41.113%0.12822%0.222CC..  trans-148.4146.1-176.761.8-154.2161.693.111.3111.1Y1257 A1348 A1534 N1537Y1257-R1494 WeakPolarHBondContact OH-CA 3.27Å; A1348-R1494 WeakPolarHBondContact O-CD 3.44Å; R1494-A1534 PolarHBondContact NH1-O 3.49Å; R1494-A1534 PolarHBondContact NH2-O 2.93Å; R1494-N1537 PolarHBondContact NH2-O 2.82Å
1495D70.9Confident79Confident19 Ų1938.4 Ų38.410%0.10221%0.206CC..  trans-87.6126.9176.1164.159.9000111Y1257 R1312 V1497 T1498 L1499Y1257-D1495 HydrophobicContact CE1-CB 4.19Å; Y1257-D1495 PolarHBondContact OH-N 3.23Å; R1312-D1495 IonicContact NE-OD2 2.74Å; D1495-V1497 VanDerWaalsContact C-N 3.27Å; D1495-V1497 PolarHBondContact O-N 3.41Å; D1495-T1498 WeakPolarHBondContact CB-OG1 3.5Å; D1495-T1498 WeakPolarHBondContact O-CB 3.29Å; D1495-T1498 PolarHBondContact O-N 3.06Å; D1495-T1498 VanDerWaalsContact O-N 3.09Å; D1495-T1498 PolarHBondContact OD2-N 2.9Å; D1495-T1498 PolarHBondContact OD2-OG1 2.98Å; D1495-L1499 PolarHBondContact O-N 3.38Å
1496P71.3Confident79.3Confident51 Ų5138.2 Ų38.233%0.33121%0.205SC..Hα-helixtrans-63.6-28.2-176.124.5-34000113.9L1499 E1500P1496-L1499 PolarHBondContact O-N 3.03Å; P1496-E1500 WeakPolarHBondContact O-CB 3.42Å; P1496-E1500 PolarHBondContact O-N 3.35Å
1497V74.2Confident79.8Confident55 Ų5536.6 Ų36.633%0.33319%0.194SC..Hα-helixtrans-72.6-34.4175.8-177.40000110.9D1495 Q1501D1495-V1497 VanDerWaalsContact C-N 3.27Å; D1495-V1497 PolarHBondContact O-N 3.41Å; V1497-Q1501 VanDerWaalsContact O-CG 3.29Å; V1497-Q1501 WeakPolarHBondContact O-CG 3.32Å; V1497-Q1501 PolarHBondContact O-N 3.17Å; V1497-Q1501 VanDerWaalsContact O-N 3.08Å
1498T79Confident80Confident0 Ų036.8 Ų36.80%020%0.195CC..Hα-helixtrans-66.8-41.6171.7-47.80000111.8A1311 R1312 I1315 C1346 D1495 Q1501 A1502A1311-T1498 HydrophobicContact CB-CG2 3.7Å; R1312-T1498 HydrophobicContact CG-CG2 4.15Å; R1312-T1498 WeakPolarHBondContact CG-OG1 3.41Å; I1315-T1498 HydrophobicContact CG1-CG2 3.75Å; C1346-T1498 VanDerWaalsContact O-CG2 3.24Å; C1346-T1498 WeakPolarHBondContact O-CG2 3.48Å; D1495-T1498 WeakPolarHBondContact CB-OG1 3.5Å; D1495-T1498 WeakPolarHBondContact O-CB 3.29Å; D1495-T1498 PolarHBondContact O-N 3.06Å; D1495-T1498 VanDerWaalsContact O-N 3.09Å; D1495-T1498 PolarHBondContact OD2-N 2.9Å; D1495-T1498 PolarHBondContact OD2-OG1 2.98Å; T1498-Q1501 PolarHBondContact O-N 2.97Å; T1498-A1502 VanDerWaalsContact O-CB 3.28Å; T1498-A1502 WeakPolarHBondContact O-CB 3.23Å; T1498-A1502 PolarHBondContact O-N 3.3Å
1499L84.7Confident80.2Confident1 Ų129.3 Ų29.31%0.00516%0.161CC..Hα-helixtrans-60.2-46.4175.8-174.775.2000111.1G1347 D1495 P1496 A1502 V1503 F1531 A1534 I1616G1347-L1499 VanDerWaalsContact O-CD1 3.28Å; G1347-L1499 WeakPolarHBondContact O-CD1 3.26Å; D1495-L1499 PolarHBondContact O-N 3.38Å; P1496-L1499 PolarHBondContact O-N 3.03Å; L1499-A1502 PolarHBondContact O-N 2.97Å; L1499-V1503 WeakPolarHBondContact O-CG2 3.48Å; L1499-V1503 PolarHBondContact O-N 3.09Å; L1499-F1531 HydrophobicContact CD1-CD1 3.81Å; L1499-F1531 HydrophobicContact CD1-CE1 3.89Å; L1499-A1534 HydrophobicContact CD1-CB 4.44Å; L1499-I1616 HydrophobicContact CB-CD1 4.42Å; L1499-I1616 HydrophobicContact CD2-CD1 3.98Å; L1499-I1616 HydrophobicContact CD2-CG2 4.43Å; L1499-I1616 HydrophobicContact CG-CD1 4.11Å; L1499-I1616 HydrophobicContact CG-CG2 4.45Å
1500E83.2Confident80.6Confident66 Ų6628.2 Ų28.231%0.30815%0.154SC..Hα-helixtrans-55.2-56.6174.8-169.6172.9-152.200111.2P1496 A1502 V1503 D1504 I1612 I1616P1496-E1500 WeakPolarHBondContact O-CB 3.42Å; P1496-E1500 PolarHBondContact O-N 3.35Å; E1500-A1502 PolarHBondContact O-N 3.05Å; E1500-V1503 PolarHBondContact O-N 3.2Å; E1500-V1503 VanDerWaalsContact O-N 3.16Å; E1500-D1504 PolarHBondContact O-N 3.23Å; E1500-I1612 HydrophobicContact CB-CG2 4.28Å; E1500-I1612 HydrophobicContact CG-CG2 4.21Å; E1500-I1616 HydrophobicContact CB-CD1 3.87Å; E1500-I1616 HydrophobicContact CG-CD1 4.43Å
1501Q82.6Confident81Confident72 Ų7231.9 Ų31.934%0.33616%0.162SC..Hα-helixtrans-60.1-32.4179.3-70.6178-19.200113.4I1315 V1497 T1498 C1505I1315-Q1501 HydrophobicContact CG2-CB 3.7Å; V1497-Q1501 VanDerWaalsContact O-CG 3.29Å; V1497-Q1501 WeakPolarHBondContact O-CG 3.32Å; V1497-Q1501 PolarHBondContact O-N 3.17Å; V1497-Q1501 VanDerWaalsContact O-N 3.08Å; T1498-Q1501 PolarHBondContact O-N 2.97Å; Q1501-C1505 WeakPolarHBondContact O-CB 3.45Å; Q1501-C1505 PolarHBondContact O-N 2.87Å; Q1501-C1505 VanDerWaalsContact O-N 3.11Å
1502A87.4Confident81.1Confident0 Ų033.7 Ų33.70%017%0.172CC..Hα-helixtrans-77.4-35179.400000112.1I1315 T1498 L1499 E1500 C1505 L1506 F1531I1315-A1502 HydrophobicContact CD1-CB 3.67Å; I1315-A1502 HydrophobicContact CG1-CB 4.03Å; I1315-A1502 HydrophobicContact CG2-CB 3.99Å; T1498-A1502 VanDerWaalsContact O-CB 3.28Å; T1498-A1502 WeakPolarHBondContact O-CB 3.23Å; T1498-A1502 PolarHBondContact O-N 3.3Å; L1499-A1502 PolarHBondContact O-N 2.97Å; E1500-A1502 PolarHBondContact O-N 3.05Å; A1502-C1505 WeakPolarHBondContact O-CB 3.17Å; A1502-C1505 PolarHBondContact O-N 3.21Å; A1502-L1506 WeakPolarHBondContact O-CB 3.3Å; A1502-L1506 PolarHBondContact O-N 3.37Å; A1502-F1531 HydrophobicContact CB-CE1 3.78Å; A1502-F1531 HydrophobicContact CB-CZ 3.68Å
1503V89Confident80.9Confident0 Ų036.8 Ų36.80%019%0.19CC..Hα-helixtrans-72.7-31.7172.9174.60000111.6L1499 E1500 L1506 A1507 F1531 I1616 Q1619 L1620L1499-V1503 WeakPolarHBondContact O-CG2 3.48Å; L1499-V1503 PolarHBondContact O-N 3.09Å; E1500-V1503 PolarHBondContact O-N 3.2Å; E1500-V1503 VanDerWaalsContact O-N 3.16Å; V1503-L1506 PolarHBondContact O-N 2.9Å; V1503-A1507 VanDerWaalsContact O-CB 3.25Å; V1503-A1507 WeakPolarHBondContact O-CB 3.27Å; V1503-A1507 PolarHBondContact O-N 3.35Å; V1503-F1531 HydrophobicContact CG2-CD1 3.36Å; V1503-F1531 HydrophobicContact CG2-CE1 3.65Å; V1503-F1531 HydrophobicContact CG2-CG 4.24Å; V1503-I1616 HydrophobicContact CB-CG2 4.15Å; V1503-I1616 HydrophobicContact CG1-CG2 4.18Å; V1503-I1616 HydrophobicContact CG2-CG2 3.76Å; V1503-Q1619 HydrophobicContact CG1-CB 4.43Å; V1503-Q1619 HydrophobicContact CG1-CG 3.95Å; V1503-L1620 HydrophobicContact CG1-CD2 4.01Å; V1503-L1620 HydrophobicContact CG1-CG 4.2Å; V1503-L1620 HydrophobicContact CG2-CD2 4.05Å; V1503-L1620 HydrophobicContact CG2-CG 4.42Å
1504D86.9Confident81.2Confident84 Ų8438.4 Ų38.445%0.44921%0.206SC..Hα-helixtrans-64.8-38.1168.6-80.2-17.2000112.6E1500 A1507 F1508 Q1619E1500-D1504 PolarHBondContact O-N 3.23Å; D1504-A1507 PolarHBondContact O-N 3.45Å; D1504-F1508 PolarHBondContact O-N 2.95Å; D1504-Q1619 PolarHBondContact OD1-NE2 2.95Å
1505C86.9Confident81.5Confident1 Ų138.4 Ų38.41%0.00721%0.207CC..Hα-helixtrans-65.1-44.5173.6-164.40000111.4T1319 L1343 Q1501 A1502 A1507 F1508 L1509T1319-C1505 PolarHBondContact OG1-SG 3Å; L1343-C1505 HydrophobicContact CD2-CB 4.28Å; Q1501-C1505 WeakPolarHBondContact O-CB 3.45Å; Q1501-C1505 PolarHBondContact O-N 2.87Å; Q1501-C1505 VanDerWaalsContact O-N 3.11Å; A1502-C1505 WeakPolarHBondContact O-CB 3.17Å; A1502-C1505 PolarHBondContact O-N 3.21Å; C1505-A1507 VanDerWaalsContact C-N 3.32Å; C1505-A1507 PolarHBondContact O-N 3.01Å; C1505-F1508 WeakPolarHBondContact O-CB 3.31Å; C1505-F1508 PolarHBondContact O-N 3.01Å; C1505-L1509 PolarHBondContact O-N 3.2Å
1506L88.1Confident81.9Confident0 Ų037.9 Ų37.90%020%0.204CC..Hα-helixtrans-63-37.1173.8-171.260.1000112F1340 A1502 V1503 L1509 I1510 L1528 F1531 L1620 L1623F1340-L1506 HydrophobicContact CD1-CD1 4.3Å; F1340-L1506 HydrophobicContact CE1-CD1 3.67Å; A1502-L1506 WeakPolarHBondContact O-CB 3.3Å; A1502-L1506 PolarHBondContact O-N 3.37Å; V1503-L1506 PolarHBondContact O-N 2.9Å; L1506-L1509 PolarHBondContact O-N 3.39Å; L1506-I1510 HydrophobicContact CD1-CD1 3.76Å; L1506-I1510 HydrophobicContact CD1-CG1 4.31Å; L1506-I1510 HydrophobicContact CG-CD1 3.89Å; L1506-I1510 WeakPolarHBondContact O-CG1 3.4Å; L1506-I1510 PolarHBondContact O-N 2.94Å; L1506-L1528 HydrophobicContact CD2-CD2 3.76Å; L1506-L1528 HydrophobicContact CD2-CG 4.3Å; L1506-L1528 HydrophobicContact CG-CD2 4.46Å; L1506-F1531 HydrophobicContact CD2-CD2 4.15Å; L1506-F1531 HydrophobicContact CD2-CG 4.45Å; L1506-L1620 HydrophobicContact CD2-CD2 4.33Å; L1506-L1623 HydrophobicContact CB-CD1 4.46Å; L1506-L1623 HydrophobicContact CG-CD1 4.19Å
1507A88Confident82.2Confident6 Ų637.3 Ų37.35%0.0520%0.2CC..Hα-helixtrans-66.5-39.6175.900000112.3V1503 D1504 C1505 R1511 L1623V1503-A1507 VanDerWaalsContact O-CB 3.25Å; V1503-A1507 WeakPolarHBondContact O-CB 3.27Å; V1503-A1507 PolarHBondContact O-N 3.35Å; D1504-A1507 PolarHBondContact O-N 3.45Å; C1505-A1507 VanDerWaalsContact C-N 3.32Å; C1505-A1507 PolarHBondContact O-N 3.01Å; A1507-R1511 WeakPolarHBondContact O-CB 3.37Å; A1507-R1511 VanDerWaalsContact O-CG 3.25Å; A1507-R1511 WeakPolarHBondContact O-CG 3.44Å; A1507-R1511 PolarHBondContact O-N 3.46Å; A1507-L1623 HydrophobicContact CB-CD1 3.88Å; A1507-L1623 HydrophobicContact CB-CD2 3.86Å; A1507-L1623 HydrophobicContact CB-CG 4.39Å
1508F86.8Confident81.9Confident59 Ų5937 Ų3726%0.25920%0.199SC..Hα-helixtrans-60.2-44173.1172.3-100.8000111.6R1323 D1504 C1505 H1515R1323-F1508 HydrophobicContact CB-CE1 4.33Å; R1323-F1508 HydrophobicContact CB-CZ 4.22Å; R1323-F1508 HydrophobicContact CG-CE2 4.41Å; R1323-F1508 HydrophobicContact CG-CZ 4.19Å; D1504-F1508 PolarHBondContact O-N 2.95Å; C1505-F1508 WeakPolarHBondContact O-CB 3.31Å; C1505-F1508 PolarHBondContact O-N 3.01Å; F1508-H1515 AromaticContact CE1-CD2 3.74Å; F1508-H1515 AromaticContact CE1-NE2 3.73Å; F1508-H1515 AromaticContact CZ-CD2 3.88Å; F1508-H1515 AromaticContact CZ-NE2 3.52Å
1509L84.2Confident81.6Confident0 Ų039.9 Ų39.90%021%0.214CC..Hα-helixtrans-67.2-46.1177.5-66.2177.5000113.2L1322 W1336 F1340 L1343 C1505 L1506 H1515 I1516L1322-L1509 HydrophobicContact CD1-CD1 4.07Å; L1322-L1509 HydrophobicContact CD1-CD2 4.25Å; L1322-L1509 HydrophobicContact CD1-CG 4.44Å; L1322-L1509 HydrophobicContact CD2-CD2 4.33Å; W1336-L1509 HydrophobicContact CH2-CD2 3.73Å; W1336-L1509 HydrophobicContact CZ3-CD1 3.97Å; W1336-L1509 HydrophobicContact CZ3-CD2 3.84Å; F1340-L1509 HydrophobicContact CE1-CD1 4.05Å; F1340-L1509 HydrophobicContact CE2-CD1 4.47Å; F1340-L1509 HydrophobicContact CZ-CD1 3.76Å; L1343-L1509 HydrophobicContact CD1-CD1 4.48Å; C1505-L1509 PolarHBondContact O-N 3.2Å; L1506-L1509 PolarHBondContact O-N 3.39Å; L1509-H1515 HydrophobicContact CD2-CB 4.09Å; L1509-I1516 HydrophobicContact CB-CD1 4.39Å; L1509-I1516 WeakPolarHBondContact O-CG1 3.45Å
1510I87Confident81.6Confident3 Ų339.9 Ų39.92%0.01521%0.214CC..Hα-helixtrans-80.4-27.5-171.7-66.7178.2000112.8L1506 I1516 L1528 L1623 I1626 L1627 R1630L1506-I1510 HydrophobicContact CD1-CD1 3.76Å; L1506-I1510 HydrophobicContact CD1-CG1 4.31Å; L1506-I1510 HydrophobicContact CG-CD1 3.89Å; L1506-I1510 WeakPolarHBondContact O-CG1 3.4Å; L1506-I1510 PolarHBondContact O-N 2.94Å; I1510-I1516 HydrophobicContact CG1-CD1 3.95Å; I1510-L1528 HydrophobicContact CD1-CD1 3.75Å; I1510-L1528 HydrophobicContact CD1-CD2 4.12Å; I1510-L1528 HydrophobicContact CD1-CG 3.94Å; I1510-L1623 HydrophobicContact CB-CD2 4.35Å; I1510-L1623 HydrophobicContact CD1-CB 4.42Å; I1510-L1623 HydrophobicContact CG2-CB 4.26Å; I1510-L1623 HydrophobicContact CG2-CD2 4.34Å; I1510-I1626 HydrophobicContact CG2-CG2 4.15Å; I1510-L1627 HydrophobicContact CG2-CB 4.21Å; I1510-R1630 PolarHBondContact O-NH1 3.49Å
1511R86.6Confident81.7Confident132 Ų13237.3 Ų37.350%0.49820%0.202SC..Hα-helixtrans-74.6-27.7-178.8-74.4179.1162.9-171.1-3.5113.6A1507 D1622 L1623 I1626 R1630A1507-R1511 WeakPolarHBondContact O-CB 3.37Å; A1507-R1511 VanDerWaalsContact O-CG 3.25Å; A1507-R1511 WeakPolarHBondContact O-CG 3.44Å; A1507-R1511 PolarHBondContact O-N 3.46Å; R1511-D1622 IonicContact CZ-OD2 3.41Å; R1511-D1622 IonicContact NE-OD2 2.88Å; R1511-D1622 PolarHBondContact NE-OD2 2.69Å; R1511-D1622 IonicContact NH2-OD2 3.42Å; R1511-D1622 PolarHBondContact NH2-OD2 3.13Å; R1511-L1623 HydrophobicContact CG-CD2 3.98Å; R1511-I1626 HydrophobicContact CG-CD1 4.03Å; R1511-R1630 PolarHBondContact O-NH1 3.36Å; R1511-R1630 PolarHBondContact O-NH2 3.27Å
1512D79.3Confident81.8Confident74 Ų7438.5 Ų38.540%0.39621%0.208SC..SBendtrans-96.8117.8172.9-162.9-37.6000111.6A1514 H1515D1512-A1514 PolarHBondContact O-N 2.84Å; D1512-A1514 VanDerWaalsContact O-N 3.12Å; D1512-A1514 VanDerWaalsContact OD1-CB 3.3Å; D1512-A1514 WeakPolarHBondContact OD1-CB 3.5Å; D1512-A1514 PolarHBondContact OD1-N 2.98Å; D1512-H1515 PolarHBondContact O-N 3.38Å
1513P67.8Low81.8Confident76 Ų7639 Ų3949%0.49421%0.211SC..G310 helixtrans-56.8-24175.5-23.434.1000114.7H1515P1513-H1515 PolarHBondContact O-N 2.9Å
1514A72Confident81.7Confident74 Ų7439 Ų3961%0.61221%0.211SC*.G310 helixtrans-73.8-8.7-179.600000114D1512D1512-A1514 PolarHBondContact O-N 2.84Å; D1512-A1514 VanDerWaalsContact O-N 3.12Å; D1512-A1514 VanDerWaalsContact OD1-CB 3.3Å; D1512-A1514 WeakPolarHBondContact OD1-CB 3.5Å; D1512-A1514 PolarHBondContact OD1-N 2.98Å
1515H75.6Confident81.8Confident34 Ų3435.2 Ų35.216%0.15719%0.191CC..G310 helixtrans-106.5-10.6179.8-67.2-19.9000114F1508 L1509 D1512 P1513 N1520F1508-H1515 AromaticContact CE1-CD2 3.74Å; F1508-H1515 AromaticContact CE1-NE2 3.73Å; F1508-H1515 AromaticContact CZ-CD2 3.88Å; F1508-H1515 AromaticContact CZ-NE2 3.52Å; L1509-H1515 HydrophobicContact CD2-CB 4.09Å; D1512-H1515 PolarHBondContact O-N 3.38Å; P1513-H1515 PolarHBondContact O-N 2.9Å; H1515-N1520 PolarHBondContact O-ND2 3.22Å
1516I80.2Confident81.9Confident8 Ų838.1 Ų38.14%0.04121%0.205CC..  trans-102.297.4174-55.9-57000109.2L1509 I1510 N1520 F1521 A1524 L1627 I1634L1509-I1516 HydrophobicContact CB-CD1 4.39Å; L1509-I1516 WeakPolarHBondContact O-CG1 3.45Å; I1510-I1516 HydrophobicContact CG1-CD1 3.95Å; I1516-N1520 WeakPolarHBondContact CA-OD1 3.43Å; I1516-F1521 HydrophobicContact CG2-CB 4.38Å; I1516-F1521 HydrophobicContact CG2-CD2 3.84Å; I1516-A1524 HydrophobicContact CD1-CB 4.13Å; I1516-L1627 HydrophobicContact CG2-CD1 4.13Å; I1516-I1634 HydrophobicContact CG2-CD1 4.09Å
1517T76Confident81.9Confident39 Ų3938.1 Ų38.124%0.23921%0.205CC..  trans-98.6163.4179.5780000110.7D1519 N1520 F1521T1517-D1519 WeakPolarHBondContact CB-OD2 3.32Å; T1517-D1519 PolarHBondContact O-N 3.21Å; T1517-D1519 VanDerWaalsContact O-N 3.14Å; T1517-D1519 PolarHBondContact OG1-N 3Å; T1517-D1519 PolarHBondContact OG1-OD2 2.94Å; T1517-N1520 PolarHBondContact N-OD1 3.21Å; T1517-N1520 PolarHBondContact O-N 2.78Å; T1517-N1520 PolarHBondContact O-OD1 3.27Å; T1517-N1520 VanDerWaalsContact O-OD1 3.05Å; T1517-F1521 WeakPolarHBondContact O-CB 3.49Å; T1517-F1521 PolarHBondContact O-N 3.05Å
1518P69.5Low82Confident48 Ų4837.9 Ų37.931%0.31220%0.202SC..THydrogen-bonded Turntrans-56.6-30.4176.2-2537.1000112.8N1520 W1638P1518-N1520 VanDerWaalsContact C-N 3.26Å; P1518-N1520 PolarHBondContact O-N 2.7Å; P1518-W1638 HydrophobicContact CB-CB 4.28Å; P1518-W1638 HydrophobicContact CB-CD2 3.9Å; P1518-W1638 HydrophobicContact CB-CG 3.66Å; P1518-W1638 HydrophobicContact CG-CB 3.61Å; P1518-W1638 HydrophobicContact CG-CD2 4.21Å; P1518-W1638 HydrophobicContact CG-CG 3.43Å; P1518-W1638 VanDerWaalsContact CG-CG 3.43Å
1519D72.3Confident82.2Confident61 Ų6136.5 Ų36.533%0.32620%0.195SC..THydrogen-bonded Turntrans-68.7-21.4179.4-38.4-77.4000113.5P1332 T1333 T1517P1332-D1519 HydrophobicContact CB-CB 4.05Å; P1332-D1519 HydrophobicContact CG-CB 4.45Å; T1333-D1519 HydrophobicContact CG2-CB 3.88Å; T1517-D1519 WeakPolarHBondContact CB-OD2 3.32Å; T1517-D1519 PolarHBondContact O-N 3.21Å; T1517-D1519 VanDerWaalsContact O-N 3.14Å; T1517-D1519 PolarHBondContact OG1-N 3Å; T1517-D1519 PolarHBondContact OG1-OD2 2.94Å
1520N84.1Confident82.4Confident0 Ų036.5 Ų36.50%020%0.195CC..THydrogen-bonded Turntrans-124-9.9-173.781.612.6000115.1W1336 F1340 H1515 I1516 T1517 P1518 E1522 C1523 A1524W1336-N1520 HydrophobicContact CB-CB 3.49Å; W1336-N1520 VanDerWaalsContact CB-CB 3.49Å; W1336-N1520 HydrophobicContact CD2-CB 3.93Å; W1336-N1520 HydrophobicContact CG-CB 3.41Å; W1336-N1520 VanDerWaalsContact CG-CB 3.41Å; W1336-N1520 PolarHBondContact NE1-ND2 2.97Å; F1340-N1520 HydrophobicContact CE2-CB 4Å; H1515-N1520 PolarHBondContact O-ND2 3.22Å; I1516-N1520 WeakPolarHBondContact CA-OD1 3.43Å; T1517-N1520 PolarHBondContact N-OD1 3.21Å; T1517-N1520 PolarHBondContact O-N 2.78Å; T1517-N1520 PolarHBondContact O-OD1 3.27Å; T1517-N1520 VanDerWaalsContact O-OD1 3.05Å; P1518-N1520 VanDerWaalsContact C-N 3.26Å; P1518-N1520 PolarHBondContact O-N 2.7Å; N1520-E1522 VanDerWaalsContact C-N 3.34Å; N1520-E1522 PolarHBondContact O-N 3.25Å; N1520-C1523 WeakPolarHBondContact O-CA 3.3Å; N1520-C1523 WeakPolarHBondContact O-CB 3.24Å; N1520-C1523 PolarHBondContact O-N 3.4Å; N1520-A1524 PolarHBondContact O-N 3.48Å
1521F85.1Confident82.6Confident12 Ų1236.3 Ų36.35%0.05320%0.195CC..Hα-helixtrans-54.8-44.6-177.2179.2-109.8000113.1I1516 T1517 C1523 A1524 V1525 L1627 A1631 I1634 L1689 C1693I1516-F1521 HydrophobicContact CG2-CB 4.38Å; I1516-F1521 HydrophobicContact CG2-CD2 3.84Å; T1517-F1521 WeakPolarHBondContact O-CB 3.49Å; T1517-F1521 PolarHBondContact O-N 3.05Å; F1521-C1523 VanDerWaalsContact C-N 3.3Å; F1521-C1523 PolarHBondContact O-N 2.94Å; F1521-A1524 PolarHBondContact O-N 2.79Å; F1521-V1525 WeakPolarHBondContact O-CG2 3.47Å; F1521-V1525 PolarHBondContact O-N 3.12Å; F1521-V1525 VanDerWaalsContact O-N 3.13Å; F1521-L1627 HydrophobicContact CD2-CD1 4.03Å; F1521-L1627 HydrophobicContact CE2-CD1 3.8Å; F1521-L1627 HydrophobicContact CE2-CG 4.28Å; F1521-A1631 HydrophobicContact CE2-CB 4.42Å; F1521-A1631 HydrophobicContact CZ-CB 4Å; F1521-I1634 HydrophobicContact CD2-CD1 4.46Å; F1521-I1634 HydrophobicContact CD2-CG2 4.5Å; F1521-I1634 HydrophobicContact CE2-CD1 4.27Å; F1521-L1689 HydrophobicContact CE1-CD1 4.24Å; F1521-L1689 HydrophobicContact CZ-CD1 4.23Å; F1521-C1693 HydrophobicContact CE1-CB 3.66Å; F1521-C1693 HydrophobicContact CZ-CB 3.53Å; F1521-C1693 VanDerWaalsContact CZ-SG 3.57Å
1522E85.4Confident82.7Confident97 Ų9730 Ų3045%0.45317%0.171SC..Hα-helixtrans-62.9-38.5177.1-46.9-162.214000111.7N1520 V1525 E1526 H1688 V1692N1520-E1522 VanDerWaalsContact C-N 3.34Å; N1520-E1522 PolarHBondContact O-N 3.25Å; E1522-V1525 PolarHBondContact O-N 2.98Å; E1522-E1526 PolarHBondContact O-N 3.26Å; E1522-H1688 IonicContact OE1-CE1 3.16Å; E1522-V1692 HydrophobicContact CB-CG1 4.21Å; E1522-V1692 HydrophobicContact CG-CG1 3.66Å
1523C86.2Confident83Confident12 Ų1226.9 Ų26.98%0.08115%0.154CC..Hα-helixtrans-71.7-36.2-179.4-52.90000111.6K1337 F1340 N1520 F1521 V1525 E1526 A1527K1337-C1523 WeakPolarHBondContact CG-SG 3.5Å; F1340-C1523 HydrophobicContact CB-CB 3.99Å; F1340-C1523 HydrophobicContact CD2-CB 3.64Å; F1340-C1523 HydrophobicContact CE2-CB 4.35Å; F1340-C1523 HydrophobicContact CG-CB 3.87Å; N1520-C1523 WeakPolarHBondContact O-CA 3.3Å; N1520-C1523 WeakPolarHBondContact O-CB 3.24Å; N1520-C1523 PolarHBondContact O-N 3.4Å; F1521-C1523 VanDerWaalsContact C-N 3.3Å; F1521-C1523 PolarHBondContact O-N 2.94Å; C1523-V1525 VanDerWaalsContact C-N 3.32Å; C1523-E1526 PolarHBondContact O-N 2.97Å; C1523-A1527 VanDerWaalsContact O-CB 3.24Å; C1523-A1527 WeakPolarHBondContact O-CB 3.36Å; C1523-A1527 PolarHBondContact O-N 2.94Å
1524A87.9Confident83.7Confident0 Ų023.3 Ų23.30%013%0.13CC..Hα-helixtrans-65.1-36.4173.200000111.8F1340 I1516 N1520 F1521 L1528 L1627F1340-A1524 HydrophobicContact CE1-CB 3.99Å; F1340-A1524 HydrophobicContact CZ-CB 3.84Å; I1516-A1524 HydrophobicContact CD1-CB 4.13Å; N1520-A1524 PolarHBondContact O-N 3.48Å; F1521-A1524 PolarHBondContact O-N 2.79Å; A1524-L1528 WeakPolarHBondContact O-CG 3.47Å; A1524-L1528 PolarHBondContact O-N 3.4Å; A1524-L1627 HydrophobicContact CB-CD2 4.4Å
1525V89.5Confident84.2Confident4 Ų419.8 Ų19.82%0.02410%0.102CC..Hα-helixtrans-68.2-49.5172.2176.70000111F1521 E1522 C1523 A1527 L1528 R1529 L1627 C1693 P1696 L1697F1521-V1525 WeakPolarHBondContact O-CG2 3.47Å; F1521-V1525 PolarHBondContact O-N 3.12Å; F1521-V1525 VanDerWaalsContact O-N 3.13Å; E1522-V1525 PolarHBondContact O-N 2.98Å; C1523-V1525 VanDerWaalsContact C-N 3.32Å; V1525-A1527 PolarHBondContact O-N 2.92Å; V1525-L1528 PolarHBondContact O-N 3.19Å; V1525-R1529 WeakPolarHBondContact O-CG 3.41Å; V1525-R1529 PolarHBondContact O-N 2.94Å; V1525-L1627 HydrophobicContact CG2-CD2 3.73Å; V1525-C1693 HydrophobicContact CG2-CB 4.41Å; V1525-P1696 HydrophobicContact CG1-CB 3.86Å; V1525-L1697 HydrophobicContact CG1-CD2 4.03Å; V1525-L1697 HydrophobicContact CG1-CG 4.16Å; V1525-L1697 HydrophobicContact CG2-CD2 4.4Å; V1525-L1697 HydrophobicContact CG2-CG 4.4Å
1526E87.6Confident84.3Confident62 Ų6219.6 Ų19.629%0.2910%0.101SC..Hα-helixtrans-57.7-48.3179.1-169.5179.4166.200111.5R1350 Y1487 E1522 C1523 L1528 R1529 V1530R1350-E1526 IonicContact CZ-OE1 3.42Å; R1350-E1526 IonicContact NH1-OE1 3.28Å; R1350-E1526 PolarHBondContact NH1-OE1 3.25Å; R1350-E1526 IonicContact NH2-OE1 3.73Å; R1350-E1526 PolarHBondContact NH2-OE1 2.85Å; Y1487-E1526 HydrophobicContact CE1-CG 4.08Å; Y1487-E1526 WeakPolarHBondContact OH-CG 3.23Å; Y1487-E1526 PolarHBondContact OH-OE1 3.11Å; E1522-E1526 PolarHBondContact O-N 3.26Å; C1523-E1526 PolarHBondContact O-N 2.97Å; E1526-L1528 VanDerWaalsContact C-N 3.35Å; E1526-L1528 PolarHBondContact O-N 3.02Å; E1526-R1529 WeakPolarHBondContact O-CA 3.31Å; E1526-R1529 WeakPolarHBondContact O-CB 3.36Å; E1526-R1529 PolarHBondContact O-N 3.24Å; E1526-V1530 PolarHBondContact O-N 3.37Å
1527A88.7Confident83.9Confident0 Ų023 Ų230%012%0.119CC..Hα-helixtrans-57.2-45.9177.600000111.7F1340 E1344 C1523 V1525 R1529 V1530 F1531F1340-A1527 HydrophobicContact CD1-CB 3.75Å; F1340-A1527 HydrophobicContact CE1-CB 4.47Å; E1344-A1527 HydrophobicContact CG-CB 4.06Å; E1344-A1527 VanDerWaalsContact OE1-CA 3.22Å; E1344-A1527 WeakPolarHBondContact OE1-CA 3.45Å; E1344-A1527 WeakPolarHBondContact OE1-CB 3.26Å; E1344-A1527 PolarHBondContact OE1-N 2.85Å; C1523-A1527 VanDerWaalsContact O-CB 3.24Å; C1523-A1527 WeakPolarHBondContact O-CB 3.36Å; C1523-A1527 PolarHBondContact O-N 2.94Å; V1525-A1527 PolarHBondContact O-N 2.92Å; A1527-R1529 PolarHBondContact O-N 2.84Å; A1527-V1530 PolarHBondContact O-N 3.17Å; A1527-V1530 VanDerWaalsContact O-N 3.11Å; A1527-F1531 VanDerWaalsContact O-CD2 3.3Å; A1527-F1531 WeakPolarHBondContact O-CD2 3.34Å; A1527-F1531 PolarHBondContact O-N 2.73Å
1528L91.2Very high83.2Confident0 Ų024 Ų240%012%0.123CC..Hα-helixtrans-56.4-37.9174.9-79172.8000112.3L1506 I1510 A1524 V1525 E1526 V1532 L1620 L1623 I1624 L1627 L1697L1506-L1528 HydrophobicContact CD2-CD2 3.76Å; L1506-L1528 HydrophobicContact CD2-CG 4.3Å; L1506-L1528 HydrophobicContact CG-CD2 4.46Å; I1510-L1528 HydrophobicContact CD1-CD1 3.75Å; I1510-L1528 HydrophobicContact CD1-CD2 4.12Å; I1510-L1528 HydrophobicContact CD1-CG 3.94Å; A1524-L1528 WeakPolarHBondContact O-CG 3.47Å; A1524-L1528 PolarHBondContact O-N 3.4Å; V1525-L1528 PolarHBondContact O-N 3.19Å; E1526-L1528 VanDerWaalsContact C-N 3.35Å; E1526-L1528 PolarHBondContact O-N 3.02Å; L1528-V1532 WeakPolarHBondContact O-CB 3.4Å; L1528-V1532 VanDerWaalsContact O-CG2 3.31Å; L1528-V1532 WeakPolarHBondContact O-CG2 3.43Å; L1528-V1532 PolarHBondContact O-N 2.88Å; L1528-L1620 HydrophobicContact CD2-CD2 3.86Å; L1528-L1623 HydrophobicContact CD2-CB 4.01Å; L1528-L1623 HydrophobicContact CD2-CD1 4.47Å; L1528-I1624 HydrophobicContact CB-CG1 4.35Å; L1528-I1624 HydrophobicContact CD1-CG1 3.95Å; L1528-I1624 HydrophobicContact CD2-CG1 4.16Å; L1528-I1624 HydrophobicContact CG-CG1 4.4Å; L1528-L1627 HydrophobicContact CD1-CD2 3.87Å; L1528-L1697 HydrophobicContact CB-CD2 4.44Å; L1528-L1697 HydrophobicContact CD1-CD2 3.87Å
1529R91Very high82.3Confident30 Ų3026 Ų2611%0.11314%0.136CC..Hα-helixtrans-65.7-45.2174.9-52.4-167.7771770.7112.3Y1487 V1525 E1526 A1527 V1532 E1533Y1487-R1529 HydrophobicContact CD1-CB 3.95Å; Y1487-R1529 HydrophobicContact CG-CB 4.02Å; V1525-R1529 WeakPolarHBondContact O-CG 3.41Å; V1525-R1529 PolarHBondContact O-N 2.94Å; E1526-R1529 WeakPolarHBondContact O-CA 3.31Å; E1526-R1529 WeakPolarHBondContact O-CB 3.36Å; E1526-R1529 PolarHBondContact O-N 3.24Å; A1527-R1529 PolarHBondContact O-N 2.84Å; R1529-V1532 PolarHBondContact O-N 2.89Å; R1529-E1533 PolarHBondContact O-N 2.74Å
1530V88.4Confident80.8Confident0 Ų028.9 Ų28.90%016%0.158CC..Hα-helixtrans-64-42.1179.5178.80000110.9E1344 A1348 R1350 Y1487 V1489 E1526 A1527 V1532 A1534E1344-V1530 HydrophobicContact CB-CG1 4.13Å; E1344-V1530 HydrophobicContact CG-CB 4.12Å; E1344-V1530 HydrophobicContact CG-CG1 4.09Å; E1344-V1530 HydrophobicContact CG-CG2 4.41Å; A1348-V1530 HydrophobicContact CB-CG1 3.81Å; R1350-V1530 HydrophobicContact CB-CG1 4.16Å; Y1487-V1530 HydrophobicContact CD1-CG2 3.89Å; Y1487-V1530 HydrophobicContact CE1-CG2 3.64Å; V1489-V1530 HydrophobicContact CG2-CG1 4.2Å; V1489-V1530 HydrophobicContact CG2-CG2 4.36Å; E1526-V1530 PolarHBondContact O-N 3.37Å; A1527-V1530 PolarHBondContact O-N 3.17Å; A1527-V1530 VanDerWaalsContact O-N 3.11Å; V1530-V1532 VanDerWaalsContact C-N 3.34Å; V1530-V1532 PolarHBondContact O-N 3.46Å; V1530-A1534 WeakPolarHBondContact O-CB 3.35Å; V1530-A1534 PolarHBondContact O-N 2.58Å
1531F90.2Very high78.5Confident0 Ų038.5 Ų38.50%020%0.195CC..Hα-helixtrans-67.3-30.9174.2-85.6-89.3000112.9L1343 E1344 A1348 L1499 A1502 V1503 L1506 A1527 C1535 L1620L1343-F1531 HydrophobicContact CB-CE2 4.45Å; L1343-F1531 WeakPolarHBondContact O-CZ 3.28Å; E1344-F1531 HydrophobicContact CG-CE2 4.4Å; A1348-F1531 HydrophobicContact CB-CD1 3.92Å; A1348-F1531 HydrophobicContact CB-CD2 3.93Å; A1348-F1531 HydrophobicContact CB-CE1 3.96Å; A1348-F1531 HydrophobicContact CB-CE2 3.96Å; A1348-F1531 HydrophobicContact CB-CG 3.91Å; A1348-F1531 HydrophobicContact CB-CZ 3.97Å; L1499-F1531 HydrophobicContact CD1-CD1 3.81Å; L1499-F1531 HydrophobicContact CD1-CE1 3.89Å; A1502-F1531 HydrophobicContact CB-CE1 3.78Å; A1502-F1531 HydrophobicContact CB-CZ 3.68Å; V1503-F1531 HydrophobicContact CG2-CD1 3.36Å; V1503-F1531 HydrophobicContact CG2-CE1 3.65Å; V1503-F1531 HydrophobicContact CG2-CG 4.24Å; L1506-F1531 HydrophobicContact CD2-CD2 4.15Å; L1506-F1531 HydrophobicContact CD2-CG 4.45Å; A1527-F1531 VanDerWaalsContact O-CD2 3.3Å; A1527-F1531 WeakPolarHBondContact O-CD2 3.34Å; A1527-F1531 PolarHBondContact O-N 2.73Å; F1531-C1535 WeakPolarHBondContact O-CB 3.3Å; F1531-C1535 PolarHBondContact O-N 2.9Å; F1531-L1620 HydrophobicContact CB-CD1 4.08Å; F1531-L1620 HydrophobicContact CB-CD2 3.89Å
1532V88.8Confident75.9Confident0 Ų045.6 Ų45.60%023%0.233CC..Hα-helixtrans-69.6-50.1172.4160.30000112.4L1528 R1529 V1530 A1534 C1535 I1536 L1620 I1624 R1703 L1704L1528-V1532 WeakPolarHBondContact O-CB 3.4Å; L1528-V1532 VanDerWaalsContact O-CG2 3.31Å; L1528-V1532 WeakPolarHBondContact O-CG2 3.43Å; L1528-V1532 PolarHBondContact O-N 2.88Å; R1529-V1532 PolarHBondContact O-N 2.89Å; V1530-V1532 VanDerWaalsContact C-N 3.34Å; V1530-V1532 PolarHBondContact O-N 3.46Å; V1532-A1534 PolarHBondContact O-N 3.16Å; V1532-C1535 PolarHBondContact O-N 3.25Å; V1532-I1536 HydrophobicContact CG1-CD1 4.06Å; V1532-I1536 PolarHBondContact O-N 2.79Å; V1532-I1536 VanDerWaalsContact O-N 3.11Å; V1532-L1620 HydrophobicContact CG2-CD1 4.36Å; V1532-I1624 HydrophobicContact CG2-CD1 3.84Å; V1532-R1703 HydrophobicContact CG1-CB 4.49Å; V1532-R1703 HydrophobicContact CG1-CG 4.46Å; V1532-L1704 HydrophobicContact CG1-CD1 4.38Å; V1532-L1704 HydrophobicContact CG1-CD2 4.17Å; V1532-L1704 HydrophobicContact CG1-CG 3.83Å; V1532-L1704 HydrophobicContact CG2-CD1 3.9Å; V1532-L1704 HydrophobicContact CG2-CG 4.26Å
1533E86.3Confident73Confident8 Ų845.3 Ų45.34%0.03725%0.247CC..Hα-helixtrans-60.2-34.3173.2-76.7-63.4163.100110.9S1486 Y1487 V1489 I1491 R1529 I1536 N1537 R1703S1486-E1533 WeakPolarHBondContact CA-OE1 3.48Å; Y1487-E1533 PolarHBondContact N-OE1 3.2Å; Y1487-E1533 VanDerWaalsContact N-OE1 3.14Å; V1489-E1533 HydrophobicContact CG1-CB 4.09Å; V1489-E1533 HydrophobicContact CG1-CG 4.33Å; I1491-E1533 VanDerWaalsContact CD1-C 3.44Å; I1491-E1533 HydrophobicContact CD1-CB 3.6Å; R1529-E1533 PolarHBondContact O-N 2.74Å; E1533-I1536 PolarHBondContact O-N 3.13Å; E1533-N1537 WeakPolarHBondContact O-CB 3.38Å; E1533-N1537 PolarHBondContact O-N 3.11Å; E1533-N1537 PolarHBondContact O-ND2 3.35Å; E1533-N1537 PolarHBondContact OE2-ND2 3.08Å; E1533-R1703 IonicContact OE1-CZ 3.11Å; E1533-R1703 IonicContact OE1-NE 2.82Å; E1533-R1703 PolarHBondContact OE1-NE 3.19Å; E1533-R1703 IonicContact OE1-NH2 3.97Å; E1533-R1703 PolarHBondContact OE1-NH2 3.48Å; E1533-R1703 IonicContact OE2-CZ 2.65Å; E1533-R1703 IonicContact OE2-NE 2.91Å; E1533-R1703 IonicContact OE2-NH2 3.75Å; E1533-R1703 PolarHBondContact OE2-NH2 2.78Å
1534A82.3Confident70.1Confident0 Ų050.6 Ų50.60%027%0.274CS..Hα-helixtrans-62.1-50.9171.100000110.7A1348 I1491 R1494 L1499 V1530 V1532 I1536 N1537A1348-A1534 HydrophobicContact CB-CB 3.92Å; A1348-A1534 WeakPolarHBondContact O-CB 3.44Å; I1491-A1534 HydrophobicContact CD1-CB 4.02Å; I1491-A1534 HydrophobicContact CG2-CB 4.38Å; R1494-A1534 PolarHBondContact NH1-O 3.49Å; R1494-A1534 PolarHBondContact NH2-O 2.93Å; L1499-A1534 HydrophobicContact CD1-CB 4.44Å; V1530-A1534 WeakPolarHBondContact O-CB 3.35Å; V1530-A1534 PolarHBondContact O-N 2.58Å; V1532-A1534 PolarHBondContact O-N 3.16Å; A1534-I1536 PolarHBondContact O-N 3.02Å; A1534-N1537 PolarHBondContact O-N 3.21Å
1535C81.7Confident67.1Low1 Ų158.4 Ų58.41%0.00732%0.316CS..Hα-helixtrans-58.3-21.7179.1-88.10000115F1531 V1532 L1538 A1617 L1620 R1709F1531-C1535 WeakPolarHBondContact O-CB 3.3Å; F1531-C1535 PolarHBondContact O-N 2.9Å; V1532-C1535 PolarHBondContact O-N 3.25Å; C1535-L1538 WeakPolarHBondContact O-CD1 3.3Å; C1535-A1617 HydrophobicContact CB-CB 4.47Å; C1535-L1620 HydrophobicContact CB-CD1 4.23Å; C1535-R1709 PolarHBondContact O-NH2 3.49Å
1536I78.9Confident64.1Low30 Ų3066.4 Ų66.415%0.15436%0.358CS..Hα-helixtrans-91.6-45.9176.2-65.5165.7000111.9V1532 E1533 A1534 L1538 R1703 L1704V1532-I1536 HydrophobicContact CG1-CD1 4.06Å; V1532-I1536 PolarHBondContact O-N 2.79Å; V1532-I1536 VanDerWaalsContact O-N 3.11Å; E1533-I1536 PolarHBondContact O-N 3.13Å; A1534-I1536 PolarHBondContact O-N 3.02Å; I1536-L1538 PolarHBondContact O-N 2.81Å; I1536-R1703 HydrophobicContact CD1-CB 4.43Å; I1536-R1703 HydrophobicContact CD1-CG 3.66Å; I1536-R1703 WeakPolarHBondContact CD1-O 3.28Å; I1536-L1704 HydrophobicContact CD1-CD2 4.03Å; I1536-L1704 HydrophobicContact CG1-CD2 3.95Å
1537N71.1Confident61.1Low78 Ų7870.6 Ų70.642%0.41739%0.387SS..  trans-81.175.5-175-65.3-68.5000111.9R1494 E1533 A1534R1494-N1537 PolarHBondContact NH2-O 2.82Å; E1533-N1537 WeakPolarHBondContact O-CB 3.38Å; E1533-N1537 PolarHBondContact O-N 3.11Å; E1533-N1537 PolarHBondContact O-ND2 3.35Å; E1533-N1537 PolarHBondContact OE2-ND2 3.08Å; A1534-N1537 PolarHBondContact O-N 3.21Å
1538L61Low58.1Low61 Ų6176.5 Ų76.532%0.31943%0.429SS..PPolyproline II helixtrans-86.9131.8173.4-84.776.2000111.5C1535 I1536 L1609C1535-L1538 WeakPolarHBondContact O-CD1 3.3Å; I1536-L1538 PolarHBondContact O-N 2.81Å; L1538-L1609 HydrophobicContact CD2-CD2 3.87Å
1539P50.6Low54.9Low90 Ų9081.1 Ų81.158%0.58446%0.461SS*.PPolyproline II helixtrans-70.8138.8174.129.2-34000111R1541P1539-R1541 PolarHBondContact O-N 3.03Å
1540P41Very low51.8Low121 Ų12185 Ų8579%0.78649%0.493SS*.PPolyproline II helixtrans-66.4129.1177.627.1-33.8000110.7N1542P1540-N1542 PolarHBondContact O-N 3.22Å
1541R36.7Very low48.8Very low203 Ų20393.1 Ų93.177%0.76652%0.524SS*.PPolyproline II helixtrans-66.4122.6168.4-87.2178.9160.8172.3-6.7109.2P1539 A1543P1539-R1541 PolarHBondContact O-N 3.03Å; R1541-A1543 PolarHBondContact O-N 3.39Å
1542N28.8Very low45.8Very low161 Ų161100.5 Ų100.586%0.86156%0.564SS**  trans-62.494.4173-91.8-18.4000111P1540 N1544P1540-N1542 PolarHBondContact O-N 3.22Å; N1542-N1544 PolarHBondContact O-N 3.16Å
1543A25.4Very low42.9Very low91 Ų91104.6 Ų104.675%0.75259%0.589SS**  trans-77.966.8175.500000111.2R1541R1541-A1543 PolarHBondContact O-N 3.39Å
1544N24.3Very low40.1Very low122 Ų122111.3 Ų111.365%0.65263%0.625SS**  trans-148.585.5172.7-97.2-22.6000110N1542N1542-N1544 PolarHBondContact O-N 3.16Å
1545N25.7Very low37.4Very low164 Ų164117.1 Ų117.188%0.87766%0.656SS**  trans163.386.7151.3-88.9-27.8000110.7
1546L25.8Very low34.8Very low173 Ų173125.8 Ų125.891%0.90669%0.694SS**  trans-16437.2162.4-117.6169.2000115.6
1547V25.5Very low32.5Very low149 Ų149129.5 Ų129.590%0.90372%0.718SS**  trans-136.795.9166.6-173.50000111.6
1548S25.5Very low30.5Very low125 Ų125134.3 Ų134.387%0.87474%0.738SS**  trans-159125.4147.850.10000109.4
1549S24.4Very low29Very low97 Ų97136.5 Ų136.568%0.67876%0.759SS**  trans-109.8134.5-173.758.30000112
1550S25.9Very low27.9Very low110 Ų110135.6 Ų135.677%0.76976%0.758SS**  trans-142.7125.7155.5-152.70000105.3
1551Y25.7Very low27.4Very low171 Ų171137.7 Ų137.767%0.67176%0.757SS**  53.7118.457.2-54.1-64.3000109.7V1553Y1551-V1553 HydrophobicContact CD1-CG2 3.84Å
1552D26.3Very low26.9Very low156 Ų156138.7 Ų138.783%0.83476%0.761SS**  cis-99.2164.819.7-53.3-58.9000114.1
1553V27.9Very low26.9Very low85 Ų85142 Ų14252%0.51576%0.761SS.*  cis80.573.315.2-165.80000116.5Y1551Y1551-V1553 HydrophobicContact CD1-CG2 3.84Å
1554N28Very low27.6Very low150 Ų150146.4 Ų146.480%0.80276%0.759SS**  -157.1128.9126.4-93.7-44.4000108.3
1555N25.9Very low27.8Very low122 Ų122146.5 Ų146.565%0.65277%0.766SS**  59.8118.253.5-72.2-38.9000112
1556K26.9Very low27.8Very low183 Ų183143.2 Ų143.280%0.79675%0.748SS**  cis-141.9-178.94-74.5137.4176.1-179.40107
1557T29.7Very low28.1Very low108 Ų108143.7 Ų143.766%0.66375%0.745SS**  cis-154150.727.638.20000110.9
1558E28.6Very low28.9Very low178 Ų178140.8 Ų140.883%0.83273%0.73SS**  trans55144.8137.7-66.4170.4-179.100121.2
1559S29.6Very low29Very low108 Ų108138.4 Ų138.476%0.75570%0.702SS**  cis-159.3-178.8-14.558.70000111.8
1560A27.3Very low29.5Very low70 Ų70140.7 Ų140.758%0.57970%0.701SS**  trans-63.1168.3175.100000112.3
1561H31.6Very low29.9Very low165 Ų165140.1 Ų140.176%0.76470%0.697SS**  cis-155.3141.640.3-107.4-71.7000115.6
1562R25.4Very low30.3Very low225 Ų225137.5 Ų137.585%0.84970%0.699SS**  trans-71.8140.5141.1-74.4-180171-176.5-4.8110.1
1563R29.7Very low30.6Very low230 Ų230136.8 Ų136.887%0.86870%0.695SS**  trans-127124.7151.5-73.5-173.1-179.6-174.51.6104.6
1564R39Very low30.8Very low184 Ų184144.1 Ų144.169%0.69471%0.714SS**  cis57.5131.934.2-76.6-176.9172-109.22.2112D1566R1564-D1566 WeakPolarHBondContact CD-OD2 3.4Å; R1564-D1566 IonicContact CZ-OD1 3.63Å; R1564-D1566 IonicContact CZ-OD2 3.17Å; R1564-D1566 IonicContact NE-OD2 2.62Å; R1564-D1566 IonicContact NH1-OD1 2.72Å; R1564-D1566 PolarHBondContact NH1-OD1 3.37Å; R1564-D1566 IonicContact NH1-OD2 2.78Å; R1564-D1566 PolarHBondContact NH1-OD2 3.39Å
1565P29.4Very low31.1Very low123 Ų123141.9 Ų141.980%0.79971%0.707SS**  cis-101166.5411.621000113.4
1566D25.1Very low31.3Very low96 Ų96142.6 Ų142.651%0.51371%0.711SS.*  cis82.288.233.6-59.6-64.9000115.6R1564R1564-D1566 WeakPolarHBondContact CD-OD2 3.4Å; R1564-D1566 IonicContact CZ-OD1 3.63Å; R1564-D1566 IonicContact CZ-OD2 3.17Å; R1564-D1566 IonicContact NE-OD2 2.62Å; R1564-D1566 IonicContact NH1-OD1 2.72Å; R1564-D1566 PolarHBondContact NH1-OD1 3.37Å; R1564-D1566 IonicContact NH1-OD2 2.78Å; R1564-D1566 PolarHBondContact NH1-OD2 3.39Å
1567H33.4Very low31.3Very low182 Ų182144.5 Ų144.584%0.84372%0.715SS**  37171.1128.2-78.5-45.6000123.9
1568P40.8Very low31.3Very low89 Ų89143.5 Ų143.558%0.57872%0.718SS**  cis-117.9-141.1-617.89.1000112.6
1569R29Very low31.3Very low74 Ų74142.9 Ų142.928%0.27972%0.719SS.*  cis-155.6165.211.5-73.2-176-164-80.9-0.1115.2E1587 Q1588 H1589R1569-E1587 IonicContact CZ-OE1 3.09Å; R1569-E1587 IonicContact NE-OE1 2.7Å; R1569-E1587 PolarHBondContact NE-OE1 3.18Å; R1569-E1587 IonicContact NH2-OE1 2.7Å; R1569-E1587 PolarHBondContact NH2-OE1 2.88Å; R1569-Q1588 VanDerWaalsContact CZ-N 3.26Å; R1569-Q1588 PolarHBondContact NH1-O 2.71Å; R1569-Q1588 PolarHBondContact NH2-O 2.88Å; R1569-H1589 PolarHBondContact NH2-CD2 2.74Å; R1569-H1589 PolarHBondContact NH2-NE2 3.05Å
1570H35.5Very low31.2Very low146 Ų146142.7 Ų142.768%0.67672%0.718SS**  trans-3.3156.4145.5-50.8-59.5000122.9
1571S34Very low31.2Very low98 Ų98146.7 Ų146.769%0.68573%0.73SS**  cis172.6173.2-11.662.70000109.6
1572T34.3Very low31Very low115 Ų115144 Ų14471%0.70673%0.73SS**  cis-164.2170.4-0.6-7.10000112
1573N32.5Very low31.1Very low141 Ų141140.5 Ų140.575%0.75473%0.728SS**  trans78.3110.7146.6-77.6-23.7000124.4
1574R30.6Very low31.1Very low239 Ų239135.4 Ų135.490%0.90272%0.722SS**  trans82.9156.4138.4-78.2-162.8171.4-158.5-3.4119.9
1575P35.9Very low30.6Very low103 Ų103133 Ų13367%0.66972%0.724SS**  trans-122.6174.5-130.744.6-36.9000117.3
1576N28.4Very low30.7Very low138 Ų138132.2 Ų132.274%0.73872%0.716SS**  trans122.1118.7151.6-72.1-6.5000115.7
1577Y27.6Very low30.9Very low223 Ų223132.9 Ų132.988%0.87572%0.716SS**  trans49.4112.2156-71.8-85.5000121.3
1578A29.4Very low30.8Very low87 Ų87130.1 Ų130.172%0.71970%0.704SS**  trans74.3111142.600000121.6
1579L29.5Very low30.3Very low164 Ų164132.3 Ų132.386%0.85971%0.706SS**  trans74.4129.4143.1-61.3167.7000121.4
1580S26.8Very low30.4Very low105 Ų105135.7 Ų135.773%0.73473%0.729SS**  trans74.1114.8156.437.20000122.8
1581D28.3Very low30.1Very low153 Ų153135.3 Ų135.382%0.81873%0.728SS**  trans79.3122.5134.8-54.3-6.2000125.9
1582S26.9Very low30Very low110 Ų110138.4 Ų138.477%0.76973%0.731SS**  trans93.8109.1144.665.10000126
1583D27.8Very low29.9Very low150 Ų150136 Ų13680%0.80273%0.729SS**  71.5116.7126-55.8-9.8000129.6
1584T28.5Very low29.7Very low123 Ų123139.1 Ų139.176%0.75574%0.736SS**  trans89.3116.3133.156.10000129.1
1585D28.4Very low29.5Very low135 Ų135134.9 Ų134.972%0.72273%0.73SS**  79.2108.7123.5-62.9-10.5000132.2
1586T32.2Very low29.3Very low106 Ų106138.7 Ų138.765%0.6574%0.736SS**  71.9177.5128.372.30000124.4
1587E29.5Very low29.4Very low110 Ų110138.7 Ų138.751%0.51474%0.742SS.*  cis-161.5-175.16.3-133.3-8190.400114.5R1569R1569-E1587 IonicContact CZ-OE1 3.09Å; R1569-E1587 IonicContact NE-OE1 2.7Å; R1569-E1587 PolarHBondContact NE-OE1 3.18Å; R1569-E1587 IonicContact NH2-OE1 2.7Å; R1569-E1587 PolarHBondContact NH2-OE1 2.88Å
1588Q30.4Very low29.3Very low124 Ų124133.8 Ų133.858%0.57974%0.735SS**  trans93.9-178.7154.8-79.5-61.2-53.300127.2R1569R1569-Q1588 VanDerWaalsContact CZ-N 3.26Å; R1569-Q1588 PolarHBondContact NH1-O 2.71Å; R1569-Q1588 PolarHBondContact NH2-O 2.88Å
1589H31.6Very low29.3Very low135 Ų135138.9 Ų138.963%0.62574%0.744SS**  trans-146.1-176.9-149.8-84.6-71.5000116.7R1569R1569-H1589 PolarHBondContact NH2-CD2 2.74Å; R1569-H1589 PolarHBondContact NH2-NE2 3.05Å
1590L30.5Very low29.3Very low144 Ų144139.9 Ų139.975%0.75474%0.741SS**  cis-146.2-142.17.6-126.4162.5000111.1
1591E29.2Very low29.4Very low139 Ų139138.3 Ų138.365%0.6574%0.741SS**  cis-160.3-165.27-133.7-51.392.500112.8
1592H32.4Very low29.3Very low162 Ų162136.4 Ų136.475%0.7574%0.735SS**  trans-90.2175.9-171.4-74.580.1000117.8
1593G30.6Very low29.3Very low66 Ų66137.5 Ų137.568%0.6874%0.737SS**  cis129.1109.9-12.700000119.1
1594K29.9Very low29.3Very low205 Ų205138.9 Ų138.989%0.89174%0.736SS**  trans-164130.9164.9-133.7178.9-171.2175.50118.4
1595L25.8Very low29.3Very low150 Ų150136.9 Ų136.979%0.78573%0.727SS**  trans40.1108.5157.8-94.585.5000123.5
1596K32.1Very low29.5Very low183 Ų183137.7 Ų137.780%0.79673%0.726SS**  177.4152.498.8-104-173.2177.1-177.10112.9
1597T29.1Very low29.6Very low138 Ų138136.9 Ų136.985%0.84773%0.725SS**  trans21.6109163.647.40000118.9
1598V27.1Very low30.1Very low120 Ų120136.5 Ų136.573%0.72773%0.73SS**  trans-113.5110168.4175.50000109.4K1600V1598-K1600 HydrophobicContact CG1-CG 3.87Å
1599E29Very low31.1Very low195 Ų195134.3 Ų134.391%0.91172%0.722SS**  trans-97.2126.5150.4-76.8-170.713300107.7G1601E1599-G1601 PolarHBondContact O-N 3.01Å
1600K30.1Very low32.3Very low185 Ų185130 Ų13080%0.80471%0.707SS**  trans-86107.1175.8-70.8-173.9177-177.10108.6V1598 V1602V1598-K1600 HydrophobicContact CG1-CG 3.87Å; K1600-V1602 PolarHBondContact O-N 2.66Å
1601G27.3Very low33.9Very low71 Ų71127.9 Ų127.973%0.73270%0.702SS**  trans-54.9124.5164.800000109.7E1599 V1603E1599-G1601 PolarHBondContact O-N 3.01Å; G1601-V1603 PolarHBondContact O-N 3.36Å
1602V27.4Very low35.7Very low113 Ų113124 Ų12469%0.68569%0.685SS**  trans-76.1110.4-179178.10000108.6K1600 F1604K1600-V1602 PolarHBondContact O-N 2.66Å; V1602-F1604 HydrophobicContact CB-CD2 4.35Å; V1602-F1604 HydrophobicContact CB-CE2 4.17Å; V1602-F1604 HydrophobicContact CG1-CD2 3.81Å; V1602-F1604 HydrophobicContact CG1-CE2 3.65Å; V1602-F1604 HydrophobicContact CG1-CZ 4.27Å; V1602-F1604 PolarHBondContact O-N 2.94Å; V1602-F1604 VanDerWaalsContact O-N 3.1Å
1603V25.9Very low37.7Very low134 Ų134116.7 Ų116.781%0.81265%0.652SS**  trans-72.1100.6170.8-179.90000108.2G1601 S1605G1601-V1603 PolarHBondContact O-N 3.36Å; V1603-S1605 PolarHBondContact O-N 3.43Å
1604F27.6Very low39.9Very low179 Ų179114.9 Ų114.979%0.78563%0.629SS**  trans-78108.5168-84.3-87.7000109.4V1602V1602-F1604 HydrophobicContact CB-CD2 4.35Å; V1602-F1604 HydrophobicContact CB-CE2 4.17Å; V1602-F1604 HydrophobicContact CG1-CD2 3.81Å; V1602-F1604 HydrophobicContact CG1-CE2 3.65Å; V1602-F1604 HydrophobicContact CG1-CZ 4.27Å; V1602-F1604 PolarHBondContact O-N 2.94Å; V1602-F1604 VanDerWaalsContact O-N 3.1Å
1605S28.6Very low42.4Very low81 Ų81109.6 Ų109.657%0.56661%0.613SS**  trans-84.6169.4172.154.70000112.2V1603 S1607V1603-S1605 PolarHBondContact O-N 3.43Å; S1605-S1607 PolarHBondContact O-N 2.81Å; S1605-S1607 PolarHBondContact O-OG 3.32Å
1606E32.5Very low45.1Very low151 Ų151102.5 Ų102.571%0.70658%0.576SS**SBendtrans-44.5-3.3-175.8-71.4157.4104.200118.8V1608E1606-V1608 PolarHBondContact O-N 3.11Å
1607S34Very low47.6Very low89 Ų8993.8 Ų93.862%0.62254%0.538SS*.THydrogen-bonded Turntrans-54.25.5-174.260.40000119.2S1605S1605-S1607 PolarHBondContact O-N 2.81Å; S1605-S1607 PolarHBondContact O-OG 3.32Å
1608V41.8Very low50.3Low103 Ų10389.3 Ų89.362%0.62451%0.511SS*.THydrogen-bonded Turntrans-93.1-26.1-176.9-174.90000112.6E1606E1606-V1608 PolarHBondContact O-N 3.11Å
1609L50.7Low53.2Low77 Ų7785.3 Ų85.340%0.40348%0.484SS..SBendtrans-92.4149.5170.2-69.5167.1000110.2L1538 I1708 R1709L1538-L1609 HydrophobicContact CD2-CD2 3.87Å; L1609-I1708 HydrophobicContact CD1-CG2 4.42Å; L1609-R1709 HydrophobicContact CD1-CG 4.08Å
1610S56.4Low56.1Low44 Ų4476 Ų7631%0.30844%0.441SS..  trans-82.6126.1-175.2-175.20000111.5I1612 T1613S1610-I1612 PolarHBondContact O-N 2.7Å; S1610-I1612 VanDerWaalsContact O-N 3.14Å; S1610-T1613 PolarHBondContact O-N 3.48Å; S1610-T1613 PolarHBondContact O-OG1 2.9Å
1611P63.9Low59Low101 Ų10167.3 Ų67.366%0.65640%0.403SS*.Hα-helixtrans-55.6-33.2177.5-27.735.6000113.7T1613 S1614 V1615P1611-T1613 VanDerWaalsContact C-N 3.27Å; P1611-T1613 PolarHBondContact O-N 3.2Å; P1611-S1614 WeakPolarHBondContact O-CB 3.44Å; P1611-S1614 PolarHBondContact O-N 2.95Å; P1611-S1614 VanDerWaalsContact O-N 3.07Å; P1611-V1615 PolarHBondContact O-N 2.86Å; P1611-V1615 VanDerWaalsContact O-N 3.16Å
1612I67.6Low62Low57 Ų5765.6 Ų65.629%0.29238%0.377SS..Hα-helixtrans-54.4-43.1176.7-62.5167.4000110.7E1500 S1610 S1614 V1615 I1616E1500-I1612 HydrophobicContact CB-CG2 4.28Å; E1500-I1612 HydrophobicContact CG-CG2 4.21Å; S1610-I1612 PolarHBondContact O-N 2.7Å; S1610-I1612 VanDerWaalsContact O-N 3.14Å; I1612-S1614 VanDerWaalsContact C-N 3.29Å; I1612-S1614 PolarHBondContact O-N 3.14Å; I1612-V1615 PolarHBondContact O-N 3.41Å; I1612-I1616 HydrophobicContact CG2-CD1 3.75Å; I1612-I1616 HydrophobicContact CG2-CG1 4.36Å; I1612-I1616 VanDerWaalsContact O-CG1 3.27Å; I1612-I1616 WeakPolarHBondContact O-CG1 3.22Å; I1612-I1616 PolarHBondContact O-N 3.07Å
1613T73.6Confident64.9Low8 Ų860.2 Ų60.25%0.04934%0.344CS..Hα-helixtrans-70.8-25.5-178.264.60000112.7S1610 P1611 A1617 R1709S1610-T1613 PolarHBondContact O-N 3.48Å; S1610-T1613 PolarHBondContact O-OG1 2.9Å; P1611-T1613 VanDerWaalsContact C-N 3.27Å; P1611-T1613 PolarHBondContact O-N 3.2Å; T1613-A1617 WeakPolarHBondContact O-CB 3.25Å; T1613-A1617 PolarHBondContact O-N 3.19Å; T1613-A1617 VanDerWaalsContact O-N 3.14Å; T1613-R1709 PolarHBondContact O-NH1 2.77Å; T1613-R1709 PolarHBondContact OG1-NH1 2.88Å; T1613-R1709 VanDerWaalsContact OG1-NH1 3.09Å
1614S77.3Confident68Low29 Ų2954 Ų5420%0.20331%0.307CS..Hα-helixtrans-70-45.5172.6-54.10000110.9P1611 I1612 I1616 A1617 V1618 R1709P1611-S1614 WeakPolarHBondContact O-CB 3.44Å; P1611-S1614 PolarHBondContact O-N 2.95Å; P1611-S1614 VanDerWaalsContact O-N 3.07Å; I1612-S1614 VanDerWaalsContact C-N 3.29Å; I1612-S1614 PolarHBondContact O-N 3.14Å; S1614-I1616 PolarHBondContact O-N 3.15Å; S1614-A1617 PolarHBondContact O-N 2.93Å; S1614-V1618 PolarHBondContact O-N 3.37Å; S1614-V1618 VanDerWaalsContact O-N 3.09Å; S1614-R1709 WeakPolarHBondContact OG-CD 3.25Å
1615V82.1Confident71Confident93 Ų9347.4 Ų47.456%0.56428%0.28SS*.Hα-helixtrans-58.5-47.2175.2177.50000110.6P1611 I1612 A1617 V1618 Q1619P1611-V1615 PolarHBondContact O-N 2.86Å; P1611-V1615 VanDerWaalsContact O-N 3.16Å; I1612-V1615 PolarHBondContact O-N 3.41Å; V1615-A1617 VanDerWaalsContact C-N 3.32Å; V1615-A1617 PolarHBondContact O-N 2.7Å; V1615-V1618 PolarHBondContact O-N 3.04Å; V1615-Q1619 WeakPolarHBondContact O-CB 3.38Å; V1615-Q1619 PolarHBondContact O-N 2.69Å
1616I83Confident73.8Confident1 Ų144.8 Ų44.81%0.00526%0.259CS..Hα-helixtrans-58.6-41.3176.4-66.4167.9000111.6L1499 E1500 V1503 I1612 S1614 Q1619 L1620L1499-I1616 HydrophobicContact CB-CD1 4.42Å; L1499-I1616 HydrophobicContact CD2-CD1 3.98Å; L1499-I1616 HydrophobicContact CD2-CG2 4.43Å; L1499-I1616 HydrophobicContact CG-CD1 4.11Å; L1499-I1616 HydrophobicContact CG-CG2 4.45Å; E1500-I1616 HydrophobicContact CB-CD1 3.87Å; E1500-I1616 HydrophobicContact CG-CD1 4.43Å; V1503-I1616 HydrophobicContact CB-CG2 4.15Å; V1503-I1616 HydrophobicContact CG1-CG2 4.18Å; V1503-I1616 HydrophobicContact CG2-CG2 3.76Å; I1612-I1616 HydrophobicContact CG2-CD1 3.75Å; I1612-I1616 HydrophobicContact CG2-CG1 4.36Å; I1612-I1616 VanDerWaalsContact O-CG1 3.27Å; I1612-I1616 WeakPolarHBondContact O-CG1 3.22Å; I1612-I1616 PolarHBondContact O-N 3.07Å; S1614-I1616 PolarHBondContact O-N 3.15Å; I1616-Q1619 PolarHBondContact O-N 3.27Å; I1616-L1620 HydrophobicContact CG2-CD1 4.22Å; I1616-L1620 HydrophobicContact CG2-CG 4.48Å; I1616-L1620 WeakPolarHBondContact O-CG 3.24Å; I1616-L1620 PolarHBondContact O-N 2.98Å
1617A84.4Confident76.4Confident0 Ų037.7 Ų37.70%023%0.226CC..Hα-helixtrans-66.3-37.8179.200000112.5C1535 T1613 S1614 V1615 L1620 L1621 V1712C1535-A1617 HydrophobicContact CB-CB 4.47Å; T1613-A1617 WeakPolarHBondContact O-CB 3.25Å; T1613-A1617 PolarHBondContact O-N 3.19Å; T1613-A1617 VanDerWaalsContact O-N 3.14Å; S1614-A1617 PolarHBondContact O-N 2.93Å; V1615-A1617 VanDerWaalsContact C-N 3.32Å; V1615-A1617 PolarHBondContact O-N 2.7Å; A1617-L1620 PolarHBondContact O-N 3.25Å; A1617-L1621 WeakPolarHBondContact O-CG 3.33Å; A1617-L1621 PolarHBondContact O-N 2.79Å; A1617-V1712 HydrophobicContact CB-CB 4.45Å; A1617-V1712 HydrophobicContact CB-CG1 3.67Å; A1617-V1712 HydrophobicContact CB-CG2 3.85Å
1618V85.9Confident79Confident45 Ų4533.7 Ų33.727%0.27320%0.197SC..Hα-helixtrans-70-37.2173.5177.90000111.6S1614 V1615 L1621 D1622S1614-V1618 PolarHBondContact O-N 3.37Å; S1614-V1618 VanDerWaalsContact O-N 3.09Å; V1615-V1618 PolarHBondContact O-N 3.04Å; V1618-L1621 WeakPolarHBondContact O-CB 3.32Å; V1618-L1621 PolarHBondContact O-N 2.64Å; V1618-D1622 PolarHBondContact O-N 3.34Å; V1618-D1622 VanDerWaalsContact O-N 3.15Å
1619Q88.5Confident81.1Confident36 Ų3631.6 Ų31.617%0.16819%0.185CC..Hα-helixtrans-62.4-42.6173.5-173.5174.6000111.5V1503 D1504 V1615 I1616 L1621 D1622 L1623V1503-Q1619 HydrophobicContact CG1-CB 4.43Å; V1503-Q1619 HydrophobicContact CG1-CG 3.95Å; D1504-Q1619 PolarHBondContact OD1-NE2 2.95Å; V1615-Q1619 WeakPolarHBondContact O-CB 3.38Å; V1615-Q1619 PolarHBondContact O-N 2.69Å; I1616-Q1619 PolarHBondContact O-N 3.27Å; Q1619-L1621 VanDerWaalsContact C-N 3.34Å; Q1619-L1621 PolarHBondContact O-N 2.62Å; Q1619-D1622 PolarHBondContact O-N 3.02Å; Q1619-L1623 WeakPolarHBondContact O-CG 3.28Å; Q1619-L1623 PolarHBondContact O-N 2.88Å
1620L89.7Confident82.6Confident0 Ų031.8 Ų31.80%018%0.18CC..Hα-helixtrans-62.2-37.8174.2-72.4170.1000112.5V1503 L1506 L1528 F1531 V1532 C1535 I1616 A1617 L1623 I1624V1503-L1620 HydrophobicContact CG1-CD2 4.01Å; V1503-L1620 HydrophobicContact CG1-CG 4.2Å; V1503-L1620 HydrophobicContact CG2-CD2 4.05Å; V1503-L1620 HydrophobicContact CG2-CG 4.42Å; L1506-L1620 HydrophobicContact CD2-CD2 4.33Å; L1528-L1620 HydrophobicContact CD2-CD2 3.86Å; F1531-L1620 HydrophobicContact CB-CD1 4.08Å; F1531-L1620 HydrophobicContact CB-CD2 3.89Å; V1532-L1620 HydrophobicContact CG2-CD1 4.36Å; C1535-L1620 HydrophobicContact CB-CD1 4.23Å; I1616-L1620 HydrophobicContact CG2-CD1 4.22Å; I1616-L1620 HydrophobicContact CG2-CG 4.48Å; I1616-L1620 WeakPolarHBondContact O-CG 3.24Å; I1616-L1620 PolarHBondContact O-N 2.98Å; A1617-L1620 PolarHBondContact O-N 3.25Å; L1620-L1623 PolarHBondContact O-N 3.21Å; L1620-I1624 WeakPolarHBondContact O-CB 3.35Å; L1620-I1624 WeakPolarHBondContact O-CD1 3.29Å; L1620-I1624 WeakPolarHBondContact O-CG1 3.35Å; L1620-I1624 PolarHBondContact O-N 3.16Å
1621L89.8Confident83.8Confident2 Ų229.7 Ų29.71%0.0117%0.165CC..Hα-helixtrans-62.4-41.2174.9-72.1167.1000112.6A1617 V1618 Q1619 N1625 T1701 L1704 D1715 A1716 Y1719A1617-L1621 WeakPolarHBondContact O-CG 3.33Å; A1617-L1621 PolarHBondContact O-N 2.79Å; V1618-L1621 WeakPolarHBondContact O-CB 3.32Å; V1618-L1621 PolarHBondContact O-N 2.64Å; Q1619-L1621 VanDerWaalsContact C-N 3.34Å; Q1619-L1621 PolarHBondContact O-N 2.62Å; L1621-N1625 WeakPolarHBondContact O-CB 3.42Å; L1621-N1625 PolarHBondContact O-N 3.03Å; L1621-T1701 HydrophobicContact CD2-CG2 3.85Å; L1621-L1704 HydrophobicContact CD1-CD1 4.41Å; L1621-L1704 HydrophobicContact CD2-CB 4.42Å; L1621-L1704 HydrophobicContact CD2-CD1 3.53Å; L1621-L1704 HydrophobicContact CG-CD1 3.72Å; L1621-D1715 HydrophobicContact CD1-CB 4.07Å; L1621-A1716 HydrophobicContact CD1-CB 3.88Å; L1621-A1716 HydrophobicContact CD2-CB 3.93Å; L1621-Y1719 HydrophobicContact CB-CD2 3.76Å; L1621-Y1719 HydrophobicContact CB-CE2 3.97Å; L1621-Y1719 HydrophobicContact CB-CG 4.34Å; L1621-Y1719 HydrophobicContact CD1-CD2 4.19Å; L1621-Y1719 HydrophobicContact CG-CD2 4.41Å
1622D90.2Very high84.4Confident35 Ų3526.1 Ų26.119%0.18714%0.142CC..Hα-helixtrans-61.5-48.2173.5177.757.2000111.4R1511 V1618 Q1619 I1624 N1625 I1626R1511-D1622 IonicContact CZ-OD2 3.41Å; R1511-D1622 IonicContact NE-OD2 2.88Å; R1511-D1622 PolarHBondContact NE-OD2 2.69Å; R1511-D1622 IonicContact NH2-OD2 3.42Å; R1511-D1622 PolarHBondContact NH2-OD2 3.13Å; V1618-D1622 PolarHBondContact O-N 3.34Å; V1618-D1622 VanDerWaalsContact O-N 3.15Å; Q1619-D1622 PolarHBondContact O-N 3.02Å; D1622-I1624 PolarHBondContact O-N 3.29Å; D1622-N1625 PolarHBondContact O-N 2.93Å; D1622-I1626 WeakPolarHBondContact O-CB 3.26Å; D1622-I1626 VanDerWaalsContact O-CG1 3.28Å; D1622-I1626 WeakPolarHBondContact O-CG1 3.24Å; D1622-I1626 PolarHBondContact O-N 3.2Å; D1622-I1626 WeakPolarHBondContact OD2-CD1 3.48Å
1623L90.2Very high84.9Confident0 Ų027.3 Ų27.30%016%0.155CC..Hα-helixtrans-62.1-41.8178-61-173.8000112.9L1506 A1507 I1510 R1511 L1528 Q1619 L1620 N1625 I1626 L1627L1506-L1623 HydrophobicContact CB-CD1 4.46Å; L1506-L1623 HydrophobicContact CG-CD1 4.19Å; A1507-L1623 HydrophobicContact CB-CD1 3.88Å; A1507-L1623 HydrophobicContact CB-CD2 3.86Å; A1507-L1623 HydrophobicContact CB-CG 4.39Å; I1510-L1623 HydrophobicContact CB-CD2 4.35Å; I1510-L1623 HydrophobicContact CD1-CB 4.42Å; I1510-L1623 HydrophobicContact CG2-CB 4.26Å; I1510-L1623 HydrophobicContact CG2-CD2 4.34Å; R1511-L1623 HydrophobicContact CG-CD2 3.98Å; L1528-L1623 HydrophobicContact CD2-CB 4.01Å; L1528-L1623 HydrophobicContact CD2-CD1 4.47Å; Q1619-L1623 WeakPolarHBondContact O-CG 3.28Å; Q1619-L1623 PolarHBondContact O-N 2.88Å; L1620-L1623 PolarHBondContact O-N 3.21Å; L1623-N1625 VanDerWaalsContact C-N 3.35Å; L1623-I1626 PolarHBondContact O-N 2.75Å; L1623-L1627 PolarHBondContact O-N 3.18Å
1624I90.5Very high84.9Confident3 Ų328.3 Ų28.32%0.01516%0.16CC..Hα-helixtrans-58.9-47.6174.4-72163.3000110.3L1528 V1532 L1620 D1622 L1627 F1628 L1697 T1701L1528-I1624 HydrophobicContact CB-CG1 4.35Å; L1528-I1624 HydrophobicContact CD1-CG1 3.95Å; L1528-I1624 HydrophobicContact CD2-CG1 4.16Å; L1528-I1624 HydrophobicContact CG-CG1 4.4Å; V1532-I1624 HydrophobicContact CG2-CD1 3.84Å; L1620-I1624 WeakPolarHBondContact O-CB 3.35Å; L1620-I1624 WeakPolarHBondContact O-CD1 3.29Å; L1620-I1624 WeakPolarHBondContact O-CG1 3.35Å; L1620-I1624 PolarHBondContact O-N 3.16Å; D1622-I1624 PolarHBondContact O-N 3.29Å; I1624-L1627 PolarHBondContact O-N 2.91Å; I1624-F1628 WeakPolarHBondContact O-CB 3.34Å; I1624-F1628 PolarHBondContact O-N 3.45Å; I1624-L1697 HydrophobicContact CG1-CD2 4.25Å; I1624-L1697 HydrophobicContact CG2-CB 4.04Å; I1624-L1697 HydrophobicContact CG2-CD2 4.16Å; I1624-T1701 WeakPolarHBondContact CG2-OG1 3.14Å
1625N89.4Confident84.6Confident41 Ų4127.3 Ų27.322%0.21915%0.152CC..Hα-helixtrans-65.6-37.9179.5177.676.8000112.7L1621 D1622 L1623 T1629 Y1719L1621-N1625 WeakPolarHBondContact O-CB 3.42Å; L1621-N1625 PolarHBondContact O-N 3.03Å; D1622-N1625 PolarHBondContact O-N 2.93Å; L1623-N1625 VanDerWaalsContact C-N 3.35Å; N1625-T1629 WeakPolarHBondContact O-CB 3.37Å; N1625-T1629 WeakPolarHBondContact O-CG2 3.27Å; N1625-T1629 PolarHBondContact O-N 3.05Å; N1625-T1629 PolarHBondContact O-OG1 3.19Å; N1625-Y1719 HydrophobicContact CB-CD1 3.81Å; N1625-Y1719 HydrophobicContact CB-CE1 3.95Å
1626I87.9Confident84.1Confident25 Ų2528.4 Ų28.413%0.12815%0.146CC..Hα-helixtrans-63.2-47174.5-72168.6000110.9I1510 R1511 D1622 L1623 T1629 R1630I1510-I1626 HydrophobicContact CG2-CG2 4.15Å; R1511-I1626 HydrophobicContact CG-CD1 4.03Å; D1622-I1626 WeakPolarHBondContact O-CB 3.26Å; D1622-I1626 VanDerWaalsContact O-CG1 3.28Å; D1622-I1626 WeakPolarHBondContact O-CG1 3.24Å; D1622-I1626 PolarHBondContact O-N 3.2Å; D1622-I1626 WeakPolarHBondContact OD2-CD1 3.48Å; L1623-I1626 PolarHBondContact O-N 2.75Å; I1626-T1629 PolarHBondContact O-OG1 2.6Å; I1626-R1630 WeakPolarHBondContact O-CB 3.28Å; I1626-R1630 VanDerWaalsContact O-CG 3.26Å; I1626-R1630 WeakPolarHBondContact O-CG 3.39Å; I1626-R1630 PolarHBondContact O-N 3.46Å; I1626-R1630 VanDerWaalsContact O-N 3.16Å
1627L86.5Confident83.2Confident3 Ų332.7 Ų32.72%0.01617%0.166CC..Hα-helixtrans-68.2-44.9-179.8-169.460.8000111.5I1510 I1516 F1521 A1524 V1525 L1528 L1623 I1624 T1629 R1630 A1631 I1634 L1697I1510-L1627 HydrophobicContact CG2-CB 4.21Å; I1516-L1627 HydrophobicContact CG2-CD1 4.13Å; F1521-L1627 HydrophobicContact CD2-CD1 4.03Å; F1521-L1627 HydrophobicContact CE2-CD1 3.8Å; F1521-L1627 HydrophobicContact CE2-CG 4.28Å; A1524-L1627 HydrophobicContact CB-CD2 4.4Å; V1525-L1627 HydrophobicContact CG2-CD2 3.73Å; L1528-L1627 HydrophobicContact CD1-CD2 3.87Å; L1623-L1627 PolarHBondContact O-N 3.18Å; I1624-L1627 PolarHBondContact O-N 2.91Å; L1627-T1629 PolarHBondContact O-N 3.39Å; L1627-R1630 PolarHBondContact O-N 3.24Å; L1627-A1631 PolarHBondContact O-N 2.86Å; L1627-I1634 HydrophobicContact CD1-CD1 4.33Å; L1627-L1697 HydrophobicContact CB-CD1 4.16Å; L1627-L1697 HydrophobicContact CD2-CD1 4.24Å; L1627-L1697 HydrophobicContact CG-CD1 4.18Å
1628F89.2Confident82.3Confident4 Ų435.5 Ų35.52%0.01818%0.176CC..Hα-helixtrans-56.5-44.5177.4174.9-90.5000113I1624 W1694 L1697 L1698 A1723 L1729I1624-F1628 WeakPolarHBondContact O-CB 3.34Å; I1624-F1628 PolarHBondContact O-N 3.45Å; F1628-W1694 AromaticContact CD2-CD1 3.5Å; F1628-W1694 HydrophobicContact CD2-CG 4.32Å; F1628-W1694 HydrophobicContact CE2-CB 4.22Å; F1628-W1694 AromaticContact CE2-CD1 3.61Å; F1628-W1694 HydrophobicContact CE2-CG 4.11Å; F1628-W1694 PolarHBondContact O-NE1 3.48Å; F1628-L1697 HydrophobicContact CB-CD1 3.97Å; F1628-L1698 HydrophobicContact CD2-CG 4.41Å; F1628-L1698 HydrophobicContact CE2-CD1 4.05Å; F1628-L1698 HydrophobicContact CE2-CD2 3.87Å; F1628-L1698 HydrophobicContact CE2-CG 3.78Å; F1628-L1698 HydrophobicContact CZ-CD2 4.25Å; F1628-A1723 HydrophobicContact CD1-CB 4.28Å; F1628-A1723 HydrophobicContact CE1-CB 3.74Å; F1628-A1723 HydrophobicContact CE2-CB 4.45Å; F1628-A1723 HydrophobicContact CZ-CB 3.83Å; F1628-L1729 HydrophobicContact CE2-CD1 4.48Å; F1628-L1729 HydrophobicContact CE2-CD2 3.94Å; F1628-L1729 HydrophobicContact CE2-CG 4.45Å; F1628-L1729 HydrophobicContact CZ-CD1 3.92Å; F1628-L1729 HydrophobicContact CZ-CD2 3.65Å; F1628-L1729 HydrophobicContact CZ-CG 3.74Å
1629T86.2Confident81Confident59 Ų5935.5 Ų35.536%0.36218%0.177SC..Hα-helixtrans-76.8-28.4-179.551.60000113.5N1625 I1626 L1627N1625-T1629 WeakPolarHBondContact O-CB 3.37Å; N1625-T1629 WeakPolarHBondContact O-CG2 3.27Å; N1625-T1629 PolarHBondContact O-N 3.05Å; N1625-T1629 PolarHBondContact O-OG1 3.19Å; I1626-T1629 PolarHBondContact O-OG1 2.6Å; L1627-T1629 PolarHBondContact O-N 3.39Å
1630R83Confident79.6Confident82 Ų8242.7 Ų42.731%0.30920%0.202SC..Hα-helixtrans-87-17.5179.4-70.4174.9174.2-178.2-3.8114.6I1510 R1511 I1626 L1627 T1632 S1633 I1634I1510-R1630 PolarHBondContact O-NH1 3.49Å; R1511-R1630 PolarHBondContact O-NH1 3.36Å; R1511-R1630 PolarHBondContact O-NH2 3.27Å; I1626-R1630 WeakPolarHBondContact O-CB 3.28Å; I1626-R1630 VanDerWaalsContact O-CG 3.26Å; I1626-R1630 WeakPolarHBondContact O-CG 3.39Å; I1626-R1630 PolarHBondContact O-N 3.46Å; I1626-R1630 VanDerWaalsContact O-N 3.16Å; L1627-R1630 PolarHBondContact O-N 3.24Å; R1630-T1632 VanDerWaalsContact C-N 3.31Å; R1630-T1632 PolarHBondContact O-N 3.2Å; R1630-T1632 VanDerWaalsContact O-N 3.12Å; R1630-S1633 WeakPolarHBondContact O-CA 3.38Å; R1630-S1633 WeakPolarHBondContact O-CB 3.39Å; R1630-S1633 PolarHBondContact O-N 3.01Å; R1630-I1634 HydrophobicContact CB-CD1 4.06Å; R1630-I1634 HydrophobicContact CB-CG1 4.48Å; R1630-I1634 PolarHBondContact O-N 3.44Å; R1630-I1634 VanDerWaalsContact O-N 3.12Å
1631A81.2Confident78.1Confident0 Ų048 Ų480%023%0.229CC..Hα-helixtrans-45.6-45.8-172.500000114.8F1521 L1627 S1633 I1634 Y1635 L1689F1521-A1631 HydrophobicContact CE2-CB 4.42Å; F1521-A1631 HydrophobicContact CZ-CB 4Å; L1627-A1631 PolarHBondContact O-N 2.86Å; A1631-S1633 PolarHBondContact O-N 3.35Å; A1631-I1634 PolarHBondContact O-N 3.45Å; A1631-Y1635 WeakPolarHBondContact O-CB 3.48Å; A1631-Y1635 PolarHBondContact O-N 2.78Å; A1631-L1689 HydrophobicContact CB-CD1 4.08Å
1632T77Confident76.2Confident26 Ų2651.8 Ų51.816%0.1625%0.25CC..Hα-helixtrans-68.8-31178.948.10000113.8R1630 R1636 I1684 L1689 W1694 L1731R1630-T1632 VanDerWaalsContact C-N 3.31Å; R1630-T1632 PolarHBondContact O-N 3.2Å; R1630-T1632 VanDerWaalsContact O-N 3.12Å; T1632-R1636 WeakPolarHBondContact O-CB 3.08Å; T1632-R1636 PolarHBondContact O-N 3.31Å; T1632-I1684 HydrophobicContact CG2-CD1 4.44Å; T1632-L1689 HydrophobicContact CG2-CD2 3.6Å; T1632-W1694 HydrophobicContact CG2-CH2 3.9Å; T1632-W1694 HydrophobicContact CG2-CZ2 3.56Å; T1632-L1731 HydrophobicContact CG2-CD1 4.45Å
1633S77.3Confident74Confident82 Ų8255.4 Ų55.457%0.57328%0.275SS*.Hα-helixtrans-72.5-40.3175.8-165.40000111.3R1630 A1631 R1636 E1637R1630-S1633 WeakPolarHBondContact O-CA 3.38Å; R1630-S1633 WeakPolarHBondContact O-CB 3.39Å; R1630-S1633 PolarHBondContact O-N 3.01Å; A1631-S1633 PolarHBondContact O-N 3.35Å; S1633-R1636 PolarHBondContact O-N 3.07Å; S1633-E1637 PolarHBondContact O-N 2.92Å; S1633-E1637 VanDerWaalsContact O-N 3.16Å
1634I74.2Confident71.7Confident28 Ų2858.6 Ų58.614%0.14431%0.307CS..Hα-helixtrans-63.8-44.4175.8-60.7166.7000109.5I1516 F1521 L1627 R1630 A1631 E1637 W1638I1516-I1634 HydrophobicContact CG2-CD1 4.09Å; F1521-I1634 HydrophobicContact CD2-CD1 4.46Å; F1521-I1634 HydrophobicContact CD2-CG2 4.5Å; F1521-I1634 HydrophobicContact CE2-CD1 4.27Å; L1627-I1634 HydrophobicContact CD1-CD1 4.33Å; R1630-I1634 HydrophobicContact CB-CD1 4.06Å; R1630-I1634 HydrophobicContact CB-CG1 4.48Å; R1630-I1634 PolarHBondContact O-N 3.44Å; R1630-I1634 VanDerWaalsContact O-N 3.12Å; A1631-I1634 PolarHBondContact O-N 3.45Å; I1634-E1637 PolarHBondContact O-N 3.47Å; I1634-W1638 PolarHBondContact O-N 2.82Å
1635Y71Confident69.4Low9 Ų965 Ų654%0.03534%0.337CS..Hα-helixtrans-67-36178.7-156-83.2000113.8A1631 W1638 T1639 I1684 N1685 H1688 L1689A1631-Y1635 WeakPolarHBondContact O-CB 3.48Å; A1631-Y1635 PolarHBondContact O-N 2.78Å; Y1635-W1638 AromaticContact CD2-CE3 3.89Å; Y1635-W1638 HydrophobicContact CD2-CE3 3.89Å; Y1635-W1638 HydrophobicContact CD2-CZ3 4.27Å; Y1635-W1638 HydrophobicContact CE1-CE3 4.32Å; Y1635-W1638 AromaticContact CE2-CE3 3.46Å; Y1635-W1638 HydrophobicContact CE2-CE3 3.46Å; Y1635-W1638 VanDerWaalsContact CE2-CE3 3.46Å; Y1635-W1638 AromaticContact CE2-CZ3 3.41Å; Y1635-W1638 HydrophobicContact CE2-CZ3 3.41Å; Y1635-W1638 VanDerWaalsContact CE2-CZ3 3.41Å; Y1635-W1638 HydrophobicContact CG-CE3 4.48Å; Y1635-W1638 AromaticContact CZ-CE3 3.69Å; Y1635-W1638 AromaticContact CZ-CZ3 3.59Å; Y1635-W1638 PolarHBondContact O-N 3.28Å; Y1635-W1638 WeakPolarHBondContact OH-CZ3 3.2Å; Y1635-T1639 HydrophobicContact CD1-CG2 3.98Å; Y1635-T1639 HydrophobicContact CE1-CG2 3.66Å; Y1635-T1639 PolarHBondContact O-N 3.37Å; Y1635-T1639 PolarHBondContact O-OG1 3.15Å; Y1635-I1684 HydrophobicContact CD1-CG2 3.92Å; Y1635-I1684 HydrophobicContact CE1-CG2 4.4Å; Y1635-I1684 HydrophobicContact CG-CG2 4.47Å; Y1635-N1685 HydrophobicContact CE1-CB 4.21Å; Y1635-N1685 WeakPolarHBondContact OH-CB 3.3Å; Y1635-H1688 AromaticContact CE2-CD2 3.52Å; Y1635-L1689 HydrophobicContact CD2-CD1 3.98Å; Y1635-L1689 HydrophobicContact CG-CD1 4.42Å
1636R70.1Confident66.8Low115 Ų11567.3 Ų67.343%0.43435%0.349SS..Hα-helixtrans-64.1-39.9172.8-88.9-178.4166.7147.8-8.6112.3T1632 S1633 T1639 R1640 D1682 I1684T1632-R1636 WeakPolarHBondContact O-CB 3.08Å; T1632-R1636 PolarHBondContact O-N 3.31Å; S1633-R1636 PolarHBondContact O-N 3.07Å; R1636-T1639 WeakPolarHBondContact CA-OG1 3.47Å; R1636-T1639 PolarHBondContact O-OG1 2.91Å; R1636-T1639 VanDerWaalsContact O-OG1 3.08Å; R1636-R1640 WeakPolarHBondContact O-CB 3.23Å; R1636-R1640 PolarHBondContact O-N 3.37Å; R1636-R1640 VanDerWaalsContact O-N 3.14Å; R1636-D1682 IonicContact CZ-OD1 2.62Å; R1636-D1682 VanDerWaalsContact CZ-OD1 3.27Å; R1636-D1682 IonicContact CZ-OD2 3.25Å; R1636-D1682 IonicContact NE-OD1 3.45Å; R1636-D1682 PolarHBondContact NE-OD1 2.88Å; R1636-D1682 IonicContact NE-OD2 2.64Å; R1636-D1682 IonicContact NH2-OD1 2.6Å; R1636-D1682 PolarHBondContact NH2-OD1 3Å; R1636-D1682 IonicContact NH2-OD2 2.79Å; R1636-D1682 PolarHBondContact NH2-OD2 3.12Å; R1636-I1684 HydrophobicContact CG-CD1 4.1Å; R1636-I1684 HydrophobicContact CG-CG1 4.26Å
1637E65.3Low64.1Low92 Ų9272 Ų7243%0.4338%0.379SS..Hα-helixtrans-73.9-32.1177-156.161.1-160.700111.6S1633 I1634 R1640 I1641S1633-E1637 PolarHBondContact O-N 2.92Å; S1633-E1637 VanDerWaalsContact O-N 3.16Å; I1634-E1637 PolarHBondContact O-N 3.47Å; E1637-R1640 WeakPolarHBondContact O-CB 3.19Å; E1637-R1640 PolarHBondContact O-N 2.78Å; E1637-R1640 WeakPolarHBondContact OE1-CD 3.17Å; E1637-R1640 WeakPolarHBondContact OE2-CD 3.37Å; E1637-R1640 IonicContact OE2-NH1 2.7Å; E1637-I1641 HydrophobicContact CG-CD1 4.11Å; E1637-I1641 VanDerWaalsContact O-CG1 3.29Å; E1637-I1641 WeakPolarHBondContact O-CG1 3.31Å; E1637-I1641 PolarHBondContact O-N 3.11Å
1638W64.3Low61.2Low59 Ų5977.3 Ų77.322%0.22342%0.417CS..Hα-helixtrans-58.6-52.7170.6-177.631.4000112.6P1518 I1634 Y1635 R1640 I1641 N1642P1518-W1638 HydrophobicContact CB-CB 4.28Å; P1518-W1638 HydrophobicContact CB-CD2 3.9Å; P1518-W1638 HydrophobicContact CB-CG 3.66Å; P1518-W1638 HydrophobicContact CG-CB 3.61Å; P1518-W1638 HydrophobicContact CG-CD2 4.21Å; P1518-W1638 HydrophobicContact CG-CG 3.43Å; P1518-W1638 VanDerWaalsContact CG-CG 3.43Å; I1634-W1638 PolarHBondContact O-N 2.82Å; Y1635-W1638 AromaticContact CD2-CE3 3.89Å; Y1635-W1638 HydrophobicContact CD2-CE3 3.89Å; Y1635-W1638 HydrophobicContact CD2-CZ3 4.27Å; Y1635-W1638 HydrophobicContact CE1-CE3 4.32Å; Y1635-W1638 AromaticContact CE2-CE3 3.46Å; Y1635-W1638 HydrophobicContact CE2-CE3 3.46Å; Y1635-W1638 VanDerWaalsContact CE2-CE3 3.46Å; Y1635-W1638 AromaticContact CE2-CZ3 3.41Å; Y1635-W1638 HydrophobicContact CE2-CZ3 3.41Å; Y1635-W1638 VanDerWaalsContact CE2-CZ3 3.41Å; Y1635-W1638 HydrophobicContact CG-CE3 4.48Å; Y1635-W1638 AromaticContact CZ-CE3 3.69Å; Y1635-W1638 AromaticContact CZ-CZ3 3.59Å; Y1635-W1638 PolarHBondContact O-N 3.28Å; Y1635-W1638 WeakPolarHBondContact OH-CZ3 3.2Å; W1638-R1640 PolarHBondContact O-N 2.93Å; W1638-I1641 PolarHBondContact O-N 3.36Å; W1638-N1642 PolarHBondContact O-N 3.15Å
1639T59.6Low58.1Low45 Ų4582.2 Ų82.228%0.27645%0.452SS..Hα-helixtrans-65.2-22.9-179.644.70000112.9Y1635 R1636 L1646Y1635-T1639 HydrophobicContact CD1-CG2 3.98Å; Y1635-T1639 HydrophobicContact CE1-CG2 3.66Å; Y1635-T1639 PolarHBondContact O-N 3.37Å; Y1635-T1639 PolarHBondContact O-OG1 3.15Å; R1636-T1639 WeakPolarHBondContact CA-OG1 3.47Å; R1636-T1639 PolarHBondContact O-OG1 2.91Å; R1636-T1639 VanDerWaalsContact O-OG1 3.08Å; T1639-L1646 HydrophobicContact CG2-CD1 3.81Å
1640R58.6Low55.2Low187 Ų18785.8 Ų85.871%0.70647%0.474SS*.Hα-helixtrans-74.4-38.6170-168.8-172.8-163.4151.76.9113.5R1636 E1637 W1638R1636-R1640 WeakPolarHBondContact O-CB 3.23Å; R1636-R1640 PolarHBondContact O-N 3.37Å; R1636-R1640 VanDerWaalsContact O-N 3.14Å; E1637-R1640 WeakPolarHBondContact O-CB 3.19Å; E1637-R1640 PolarHBondContact O-N 2.78Å; E1637-R1640 WeakPolarHBondContact OE1-CD 3.17Å; E1637-R1640 WeakPolarHBondContact OE2-CD 3.37Å; E1637-R1640 IonicContact OE2-NH1 2.7Å; W1638-R1640 PolarHBondContact O-N 2.93Å
1641I58.8Low52.7Low111 Ų11188.5 Ų88.557%0.56950%0.499SS*.Hα-helixtrans-79.8-42.2-176-68.9166.6000111.6E1637 W1638 P1643E1637-I1641 HydrophobicContact CG-CD1 4.11Å; E1637-I1641 VanDerWaalsContact O-CG1 3.29Å; E1637-I1641 WeakPolarHBondContact O-CG1 3.31Å; E1637-I1641 PolarHBondContact O-N 3.11Å; W1638-I1641 PolarHBondContact O-N 3.36Å; I1641-P1643 WeakPolarHBondContact O-CD 3.42Å
1642N48.8Very low50Low82 Ų8294.2 Ų94.244%0.43953%0.533SS..  trans-123.375.4-175.1-80.8-39.2000112.8W1638 G1644W1638-N1642 PolarHBondContact O-N 3.15Å; N1642-G1644 PolarHBondContact O-N 3.42Å
1643P45.3Very low47.6Very low111 Ų11199.7 Ų99.772%0.72156%0.562SS**THydrogen-bonded Turntrans-71.913-176.531-37.8000115.4I1641I1641-P1643 WeakPolarHBondContact O-CD 3.42Å
1644G41.1Very low45.2Very low66 Ų66103.2 Ų103.268%0.6857%0.569SS**THydrogen-bonded Turntrans-127.11.3-168.400000117.4N1642N1642-G1644 PolarHBondContact O-N 3.42Å
1645Q42Very low42.9Very low137 Ų137107 Ų10764%0.6459%0.586SS**  trans-105.1-4.7-174.2-95.7178.9-28.200115.7T1647Q1645-T1647 PolarHBondContact O-N 3.16Å; Q1645-T1647 VanDerWaalsContact O-N 3.1Å
1646L35.7Very low40.8Very low90 Ų90114 Ų11447%0.47162%0.617SS.*SBendtrans-81.721.6-171.9-104.7159.5000115.3T1639 N1685T1639-L1646 HydrophobicContact CG2-CD1 3.81Å; L1646-N1685 HydrophobicContact CD2-CB 4.43Å
1647T30.4Very low38.7Very low124 Ų124113.2 Ų113.276%0.76163%0.626SS**SBendtrans-13837.3-172.463.80000114.8Q1645Q1645-T1647 PolarHBondContact O-N 3.16Å; Q1645-T1647 VanDerWaalsContact O-N 3.1Å
1648S25.4Very low36.8Very low114 Ų114115.5 Ų115.580%0.79764%0.64SS**  trans-147.154.1-179.7-69.60000116
1649S24.5Very low35.1Very low108 Ų108118 Ų11876%0.75567%0.667SS**SBendtrans-161.6129.8156.545.20000111.7
1650T25.4Very low33.5Very low134 Ų134124 Ų12482%0.82269%0.692SS**SBendtrans42.6107.5172.349.80000116.4
1651V29.6Very low31.9Very low139 Ų139121.4 Ų121.484%0.84269%0.691SS**  -144158.950.4169.20000111.6
1652V25.4Very low30.3Very low119 Ų119121.8 Ų121.872%0.72169%0.694SS**  trans-122.9153-179.6174.40000111
1653N26.4Very low29.2Very low142 Ų142124 Ų12476%0.75971%0.706SS**  trans84.4145.4-178.7-50.5-41.8000116
1654E27.1Very low28.2Very low155 Ų155125.5 Ų125.572%0.72470%0.704SS**  cis-168.2164.4-19.5-109.4-166.2145.200105
1655E26.7Very low27.4Very low108 Ų108129.6 Ų129.651%0.50570%0.703SS.*  cis-156158.5-7-129.4-152.2-136.100103.7R1394R1394-E1655 IonicContact CZ-OE1 3.33Å; R1394-E1655 IonicContact NH1-OE1 2.61Å; R1394-E1655 PolarHBondContact NH1-OE1 3.14Å; R1394-E1655 IonicContact NH1-OE2 2.79Å; R1394-E1655 IonicContact NH2-OE1 3.55Å; R1394-E1655 PolarHBondContact NH2-OE1 3.24Å
1656F26.4Very low26.6Very low155 Ų155133.8 Ų133.868%0.6871%0.714SS**  cis-170-163.1-1.9-158.613.1000111
1657T25.8Very low26Very low100 Ų100133.7 Ų133.761%0.61372%0.721SS**  trans7094.2152.749.30000123.3
1658N25.4Very low26Very low139 Ų139136.4 Ų136.474%0.74373%0.725SS**  63.6112.6113.5-58.6-11.3000124.1
1659S29.2Very low26Very low111 Ų111137.8 Ų137.878%0.77672%0.723SS**  176.5112.1113.353.30000110.4
1660Q25.9Very low26.3Very low172 Ų172140.6 Ų140.680%0.80473%0.73SS**  84.7110.484.6-85.1-167.8-77.400118
1661L24.4Very low26.5Very low132 Ų132140.2 Ų140.269%0.69173%0.728SS**  trans80.5128136.1-64169.1000123.6
1662D25.5Very low26.7Very low119 Ų119140.9 Ų140.964%0.63673%0.726SS**  89.4112.6129.3-71.74.9000125.8
1663N26.2Very low26.9Very low129 Ų129142.5 Ų142.569%0.6973%0.731SS**  77.7106.4125-64.1-38.8000124.3
1664E22.9Very low27.1Very low142 Ų142142.1 Ų142.166%0.66473%0.734SS**  58.6120.5120.7-64.2-144.9133.300124.8
1665K25Very low27.3Very low152 Ų152144 Ų14466%0.66174%0.742SS**  trans80.8101.8131-66.9171.7-177.51490122.9
1666Y24.1Very low27.2Very low225 Ų225144.9 Ų144.988%0.88276%0.756SS**  66.3128.8127.1-79.1-80.6000124.6
1667S24.4Very low27.3Very low89 Ų89143.2 Ų143.262%0.62276%0.763SS**  trans80.5110.6138.8179.40000121.5
1668H29.4Very low27.3Very low181 Ų181146.6 Ų146.684%0.83878%0.777SS**  -166.2174.9104.3-109.6-23.6000114.2
1669N26.5Very low27.6Very low142 Ų142145.7 Ų145.776%0.75978%0.782SS**  trans-105.3148.7-166.3-58.3-13000114
1670N30.9Very low27.7Very low168 Ų168145.8 Ų145.890%0.89878%0.783SS**  -160.7159.4128.9-110.2-13.6000110.7
1671T28.5Very low27.9Very low125 Ų125146.2 Ų146.277%0.76779%0.787SS**  trans-112.4137.2-166.651.10000113.1
1672N33.8Very low28.5Very low153 Ų153145 Ų14582%0.81878%0.781SS**  trans-149.1143.8154.9-90.2-13.1000109.6
1673D30.7Very low29.7Very low153 Ų153144.8 Ų144.882%0.81879%0.789SS**  trans36.6130.3150.4-51.9-37.9000123.4
1674V29.7Very low31.6Very low135 Ų135140 Ų14082%0.81876%0.763SS**  trans-62.4135.5177.7174.90000113.8
1675E31.1Very low34Very low194 Ų194136.1 Ų136.191%0.90775%0.747SS**  trans-156.7171.9139.4-124.9171.3-146.500112.4
1676T25.1Very low36.4Very low127 Ų127131.2 Ų131.278%0.77973%0.728SS**  trans-120.1131.9-158.253.50000115.5
1677S29.8Very low38.9Very low120 Ų120124.7 Ų124.784%0.83971%0.708SS**  trans-166.6140145.343.30000112.7
1678N25.8Very low41.6Very low171 Ų171123 Ų12391%0.91469%0.69SS**  trans-115128.3169.5-85.1-21.7000108.8
1679S29.9Very low44.1Very low120 Ų120114.4 Ų114.484%0.83965%0.65SS**  trans-161.6108.1159.2580000111
1680S31.1Very low47Very low113 Ų113107.7 Ų107.779%0.7961%0.614SS**  trans-150.5139.9-179.159.40000111.1
1681M30.2Very low49.6Very low181 Ų181102.8 Ų102.889%0.89259%0.588SS**  trans56.190.5175.6-71.9-170.7152.400116.3
1682D38.1Very low52.1Low107 Ų10798.4 Ų98.457%0.57256%0.561SS**  trans-159.140.7166.3-139.2-11.5000114.9R1636 I1684R1636-D1682 IonicContact CZ-OD1 2.62Å; R1636-D1682 VanDerWaalsContact CZ-OD1 3.27Å; R1636-D1682 IonicContact CZ-OD2 3.25Å; R1636-D1682 IonicContact NE-OD1 3.45Å; R1636-D1682 PolarHBondContact NE-OD1 2.88Å; R1636-D1682 IonicContact NE-OD2 2.64Å; R1636-D1682 IonicContact NH2-OD1 2.6Å; R1636-D1682 PolarHBondContact NH2-OD1 3Å; R1636-D1682 IonicContact NH2-OD2 2.79Å; R1636-D1682 PolarHBondContact NH2-OD2 3.12Å; D1682-I1684 PolarHBondContact O-N 3.49Å
1683S51.5Low54.6Low114 Ų11491.1 Ų91.180%0.79752%0.522SS*.  trans-96.285.9179.260.80000112.5
1684I64.1Low57.5Low28 Ų2883.8 Ų83.814%0.14448%0.483CS..  trans-66.6133.7172.4-60.1173.9000109.6T1632 Y1635 R1636 D1682 L1686 L1689T1632-I1684 HydrophobicContact CG2-CD1 4.44Å; Y1635-I1684 HydrophobicContact CD1-CG2 3.92Å; Y1635-I1684 HydrophobicContact CE1-CG2 4.4Å; Y1635-I1684 HydrophobicContact CG-CG2 4.47Å; R1636-I1684 HydrophobicContact CG-CD1 4.1Å; R1636-I1684 HydrophobicContact CG-CG1 4.26Å; D1682-I1684 PolarHBondContact O-N 3.49Å; I1684-L1686 VanDerWaalsContact C-N 3.34Å; I1684-L1686 PolarHBondContact O-N 2.92Å; I1684-L1689 HydrophobicContact CG2-CD2 4.25Å
1685N73.5Confident60.4Low61 Ų6180.6 Ų80.633%0.32646%0.456SS..  trans-76.187.7171.8-173.5-23.8000110Y1635 L1646 D1687 H1688 L1689Y1635-N1685 HydrophobicContact CE1-CB 4.21Å; Y1635-N1685 WeakPolarHBondContact OH-CB 3.3Å; L1646-N1685 HydrophobicContact CD2-CB 4.43Å; N1685-D1687 VanDerWaalsContact C-N 3.33Å; N1685-D1687 PolarHBondContact O-N 3.4Å; N1685-D1687 PolarHBondContact OD1-N 3.17Å; N1685-H1688 HydrophobicContact CB-CB 4.39Å; N1685-H1688 PolarHBondContact O-N 3.21Å; N1685-H1688 PolarHBondContact OD1-N 3.35Å; N1685-H1688 VanDerWaalsContact OD1-N 3.08Å; N1685-L1689 PolarHBondContact O-N 2.94Å; N1685-L1689 VanDerWaalsContact O-N 3.13Å
1686L75.9Confident63.1Low49 Ų4972 Ų7226%0.25742%0.417SS..Hα-helixtrans-64.7-32.5-176.3-73.4157.3000113I1684 L1689 W1690 W1694 L1731I1684-L1686 VanDerWaalsContact C-N 3.34Å; I1684-L1686 PolarHBondContact O-N 2.92Å; L1686-L1689 PolarHBondContact O-N 3.14Å; L1686-W1690 VanDerWaalsContact O-CB 3.22Å; L1686-W1690 WeakPolarHBondContact O-CB 3.2Å; L1686-W1690 PolarHBondContact O-N 3.22Å; L1686-W1694 HydrophobicContact CD2-CH2 4.06Å; L1686-W1694 HydrophobicContact CD2-CZ3 3.92Å; L1686-L1731 HydrophobicContact CD2-CB 3.76Å; L1686-L1731 HydrophobicContact CD2-CD1 4.44Å
1687D77Confident66.1Low87 Ų8766 Ų6647%0.46538%0.38SS..Hα-helixtrans-69.5-39.5178.7-76.3-54.7000112.6N1685 N1691 Q1736N1685-D1687 VanDerWaalsContact C-N 3.33Å; N1685-D1687 PolarHBondContact O-N 3.4Å; N1685-D1687 PolarHBondContact OD1-N 3.17Å; D1687-N1691 WeakPolarHBondContact O-CB 3.39Å; D1687-N1691 PolarHBondContact O-N 3.42Å; D1687-N1691 VanDerWaalsContact O-N 3.12Å; D1687-N1691 PolarHBondContact O-ND2 2.98Å; D1687-Q1736 PolarHBondContact OD1-NE2 2.91Å
1688H80.1Confident69Low55 Ų5560.3 Ų60.326%0.25534%0.34SS..Hα-helixtrans-65.5-48.4171.5173.393.3000110.6E1522 Y1635 N1685 W1690 N1691 V1692E1522-H1688 IonicContact OE1-CE1 3.16Å; Y1635-H1688 AromaticContact CE2-CD2 3.52Å; N1685-H1688 HydrophobicContact CB-CB 4.39Å; N1685-H1688 PolarHBondContact O-N 3.21Å; N1685-H1688 PolarHBondContact OD1-N 3.35Å; N1685-H1688 VanDerWaalsContact OD1-N 3.08Å; H1688-W1690 VanDerWaalsContact C-N 3.32Å; H1688-W1690 PolarHBondContact O-N 2.91Å; H1688-N1691 PolarHBondContact O-N 3.36Å; H1688-V1692 WeakPolarHBondContact O-CB 3.49Å; H1688-V1692 WeakPolarHBondContact O-CG2 3.45Å; H1688-V1692 PolarHBondContact O-N 3.5Å
1689L82.8Confident72.2Confident0 Ų052.5 Ų52.50%030%0.298CS..Hα-helixtrans-63.5-36.7-177.8-162.167.1000112.9F1521 A1631 T1632 Y1635 I1684 N1685 L1686 C1693 W1694F1521-L1689 HydrophobicContact CE1-CD1 4.24Å; F1521-L1689 HydrophobicContact CZ-CD1 4.23Å; A1631-L1689 HydrophobicContact CB-CD1 4.08Å; T1632-L1689 HydrophobicContact CG2-CD2 3.6Å; Y1635-L1689 HydrophobicContact CD2-CD1 3.98Å; Y1635-L1689 HydrophobicContact CG-CD1 4.42Å; I1684-L1689 HydrophobicContact CG2-CD2 4.25Å; N1685-L1689 PolarHBondContact O-N 2.94Å; N1685-L1689 VanDerWaalsContact O-N 3.13Å; L1686-L1689 PolarHBondContact O-N 3.14Å; L1689-C1693 HydrophobicContact CD1-CB 4.47Å; L1689-C1693 WeakPolarHBondContact O-CB 3.43Å; L1689-C1693 PolarHBondContact O-N 3.38Å; L1689-C1693 VanDerWaalsContact O-N 3.16Å; L1689-W1694 HydrophobicContact CD2-CD2 4.48Å; L1689-W1694 HydrophobicContact CD2-CE3 4.43Å; L1689-W1694 HydrophobicContact CD2-CH2 3.78Å; L1689-W1694 HydrophobicContact CD2-CZ2 3.77Å; L1689-W1694 HydrophobicContact CD2-CZ3 4.1Å; L1689-W1694 HydrophobicContact CG-CD2 4.34Å; L1689-W1694 HydrophobicContact CG-CE3 4.35Å; L1689-W1694 HydrophobicContact CG-CZ2 4.48Å; L1689-W1694 HydrophobicContact CG-CZ3 4.45Å; L1689-W1694 PolarHBondContact O-N 3.12Å; L1689-W1694 VanDerWaalsContact O-N 3.13Å
1690W88.4Confident74.8Confident1 Ų146.9 Ų46.90%0.00426%0.259CS..Iπ-helixtrans-59.9-58.4170.9172.8-110.8000111L1686 H1688 V1692 W1694 R1695 L1698 L1732 Q1736 N1739 C1740L1686-W1690 VanDerWaalsContact O-CB 3.22Å; L1686-W1690 WeakPolarHBondContact O-CB 3.2Å; L1686-W1690 PolarHBondContact O-N 3.22Å; H1688-W1690 VanDerWaalsContact C-N 3.32Å; H1688-W1690 PolarHBondContact O-N 2.91Å; W1690-V1692 PolarHBondContact O-N 3.31Å; W1690-W1694 HydrophobicContact CE3-CB 3.84Å; W1690-W1694 HydrophobicContact CE3-CE3 4.46Å; W1690-W1694 HydrophobicContact CZ3-CB 4.15Å; W1690-W1694 PolarHBondContact O-N 3.38Å; W1690-R1695 HydrophobicContact CD2-CB 4.03Å; W1690-R1695 HydrophobicContact CE3-CB 4.31Å; W1690-R1695 HydrophobicContact CH2-CB 4Å; W1690-R1695 HydrophobicContact CZ2-CB 3.72Å; W1690-R1695 HydrophobicContact CZ2-CG 4.29Å; W1690-R1695 HydrophobicContact CZ3-CB 4.29Å; W1690-R1695 VanDerWaalsContact O-CB 3.28Å; W1690-R1695 WeakPolarHBondContact O-CB 3.47Å; W1690-R1695 PolarHBondContact O-N 2.8Å; W1690-L1698 HydrophobicContact CH2-CD1 4.3Å; W1690-L1698 HydrophobicContact CZ3-CD1 4.02Å; W1690-L1732 HydrophobicContact CB-CD2 4.31Å; W1690-L1732 HydrophobicContact CD2-CD2 4.27Å; W1690-L1732 HydrophobicContact CE3-CD1 3.7Å; W1690-L1732 HydrophobicContact CE3-CD2 3.78Å; W1690-L1732 HydrophobicContact CE3-CG 4.42Å; W1690-L1732 HydrophobicContact CH2-CD1 4.45Å; W1690-L1732 HydrophobicContact CZ3-CD1 3.65Å; W1690-Q1736 HydrophobicContact CD2-CB 4.39Å; W1690-Q1736 HydrophobicContact CG-CB 4.39Å; W1690-Q1736 HydrophobicContact CG-CG 4.14Å; W1690-Q1736 WeakPolarHBondContact CZ2-O 3.43Å; W1690-N1739 HydrophobicContact CZ2-CB 4.17Å; W1690-C1740 HydrophobicContact CH2-CB 3.52Å; W1690-C1740 HydrophobicContact CZ2-CB 4.04Å; W1690-C1740 HydrophobicContact CZ3-CB 4.44Å
1691N83.9Confident77.6Confident64 Ų6441.9 Ų41.934%0.34222%0.224SC..Iπ-helixtrans-69.2-34.1-171.1-78.5-64.9000114.3D1687 H1688 R1695 P1696D1687-N1691 WeakPolarHBondContact O-CB 3.39Å; D1687-N1691 PolarHBondContact O-N 3.42Å; D1687-N1691 VanDerWaalsContact O-N 3.12Å; D1687-N1691 PolarHBondContact O-ND2 2.98Å; H1688-N1691 PolarHBondContact O-N 3.36Å; N1691-R1695 PolarHBondContact OD1-NH1 3.16Å; N1691-P1696 WeakPolarHBondContact O-CD 3.29Å; N1691-P1696 VanDerWaalsContact O-CG 3.28Å; N1691-P1696 WeakPolarHBondContact O-CG 3.44Å
1692V82.1Confident80.3Confident33 Ų3333.2 Ų33.220%0.218%0.181CC..Iπ-helixtrans-92.4-31.7-173.6175.70000112.6E1522 H1688 W1690E1522-V1692 HydrophobicContact CB-CG1 4.21Å; E1522-V1692 HydrophobicContact CG-CG1 3.66Å; H1688-V1692 WeakPolarHBondContact O-CB 3.49Å; H1688-V1692 WeakPolarHBondContact O-CG2 3.45Å; H1688-V1692 PolarHBondContact O-N 3.5Å; W1690-V1692 PolarHBondContact O-N 3.31Å
1693C86.2Confident82.7Confident0 Ų030.9 Ų30.90%016%0.164CC..Iπ-helixtrans-118.8-65.8-176.1177.30000113.4F1521 V1525 L1689 R1695 P1696 L1697F1521-C1693 HydrophobicContact CE1-CB 3.66Å; F1521-C1693 HydrophobicContact CZ-CB 3.53Å; F1521-C1693 VanDerWaalsContact CZ-SG 3.57Å; V1525-C1693 HydrophobicContact CG2-CB 4.41Å; L1689-C1693 HydrophobicContact CD1-CB 4.47Å; L1689-C1693 WeakPolarHBondContact O-CB 3.43Å; L1689-C1693 PolarHBondContact O-N 3.38Å; L1689-C1693 VanDerWaalsContact O-N 3.16Å; C1693-R1695 PolarHBondContact O-N 3.08Å; C1693-P1696 WeakPolarHBondContact O-CD 3.19Å; C1693-L1697 VanDerWaalsContact O-CB 3.31Å; C1693-L1697 WeakPolarHBondContact O-CB 3.35Å; C1693-L1697 VanDerWaalsContact O-CG 3.27Å; C1693-L1697 WeakPolarHBondContact O-CG 3.26Å; C1693-L1697 PolarHBondContact O-N 3.22Å; C1693-L1697 VanDerWaalsContact SG-CD1 3.53Å
1694W90.4Very high84.4Confident0 Ų025.4 Ų25.40%013%0.126CC..Iπ-helixtrans-64.8-47.1-166.5-70.7-34.2000113.2F1628 T1632 L1686 L1689 W1690 L1698 T1728 L1729 L1732F1628-W1694 AromaticContact CD2-CD1 3.5Å; F1628-W1694 HydrophobicContact CD2-CG 4.32Å; F1628-W1694 HydrophobicContact CE2-CB 4.22Å; F1628-W1694 AromaticContact CE2-CD1 3.61Å; F1628-W1694 HydrophobicContact CE2-CG 4.11Å; F1628-W1694 PolarHBondContact O-NE1 3.48Å; T1632-W1694 HydrophobicContact CG2-CH2 3.9Å; T1632-W1694 HydrophobicContact CG2-CZ2 3.56Å; L1686-W1694 HydrophobicContact CD2-CH2 4.06Å; L1686-W1694 HydrophobicContact CD2-CZ3 3.92Å; L1689-W1694 HydrophobicContact CD2-CD2 4.48Å; L1689-W1694 HydrophobicContact CD2-CE3 4.43Å; L1689-W1694 HydrophobicContact CD2-CH2 3.78Å; L1689-W1694 HydrophobicContact CD2-CZ2 3.77Å; L1689-W1694 HydrophobicContact CD2-CZ3 4.1Å; L1689-W1694 HydrophobicContact CG-CD2 4.34Å; L1689-W1694 HydrophobicContact CG-CE3 4.35Å; L1689-W1694 HydrophobicContact CG-CZ2 4.48Å; L1689-W1694 HydrophobicContact CG-CZ3 4.45Å; L1689-W1694 PolarHBondContact O-N 3.12Å; L1689-W1694 VanDerWaalsContact O-N 3.13Å; W1690-W1694 HydrophobicContact CE3-CB 3.84Å; W1690-W1694 HydrophobicContact CE3-CE3 4.46Å; W1690-W1694 HydrophobicContact CZ3-CB 4.15Å; W1690-W1694 PolarHBondContact O-N 3.38Å; W1694-L1698 VanDerWaalsContact O-CB 3.3Å; W1694-L1698 WeakPolarHBondContact O-CB 3.37Å; W1694-L1698 WeakPolarHBondContact O-CD1 3.2Å; W1694-L1698 WeakPolarHBondContact O-CG 3.44Å; W1694-L1698 PolarHBondContact O-N 2.97Å; W1694-T1728 HydrophobicContact CZ2-CG2 3.6Å; W1694-L1729 HydrophobicContact CB-CD2 4.38Å; W1694-L1729 HydrophobicContact CD2-CD2 3.93Å; W1694-L1729 HydrophobicContact CE3-CD2 4.24Å; W1694-L1729 HydrophobicContact CG-CD2 4.06Å; W1694-L1732 HydrophobicContact CE3-CD2 3.74Å; W1694-L1732 HydrophobicContact CZ3-CD2 3.65Å
1695R90.5Very high85.4Confident68 Ų6824.1 Ų24.126%0.25712%0.119SC..Hα-helixtrans-62-53.1177.6159.7-171.2168.5-132.2-6112.1W1690 N1691 C1693 L1697 L1698 Q1699 E1743W1690-R1695 HydrophobicContact CD2-CB 4.03Å; W1690-R1695 HydrophobicContact CE3-CB 4.31Å; W1690-R1695 HydrophobicContact CH2-CB 4Å; W1690-R1695 HydrophobicContact CZ2-CB 3.72Å; W1690-R1695 HydrophobicContact CZ2-CG 4.29Å; W1690-R1695 HydrophobicContact CZ3-CB 4.29Å; W1690-R1695 VanDerWaalsContact O-CB 3.28Å; W1690-R1695 WeakPolarHBondContact O-CB 3.47Å; W1690-R1695 PolarHBondContact O-N 2.8Å; N1691-R1695 PolarHBondContact OD1-NH1 3.16Å; C1693-R1695 PolarHBondContact O-N 3.08Å; R1695-L1697 PolarHBondContact O-N 3Å; R1695-L1698 PolarHBondContact O-N 3.42Å; R1695-Q1699 WeakPolarHBondContact O-CG 3.41Å; R1695-Q1699 PolarHBondContact O-N 2.98Å; R1695-E1743 IonicContact CZ-OE1 2.7Å; R1695-E1743 IonicContact CZ-OE2 2.67Å; R1695-E1743 IonicContact NE-OE1 3.53Å; R1695-E1743 PolarHBondContact NE-OE1 3.09Å; R1695-E1743 VanDerWaalsContact NE-OE1 3.11Å; R1695-E1743 IonicContact NE-OE2 3.01Å; R1695-E1743 PolarHBondContact NE-OE2 3.46Å; R1695-E1743 IonicContact NH2-OE1 3.49Å; R1695-E1743 IonicContact NH2-OE2 2.7Å; R1695-E1743 PolarHBondContact NH2-OE2 3.37Å
1696P87.8Confident85.7Confident13 Ų1322.9 Ų22.98%0.08412%0.115CC..Hα-helixtrans-61.8-37.3178.5-25.334.6000114.5V1525 N1691 C1693 S1700V1525-P1696 HydrophobicContact CG1-CB 3.86Å; N1691-P1696 WeakPolarHBondContact O-CD 3.29Å; N1691-P1696 VanDerWaalsContact O-CG 3.28Å; N1691-P1696 WeakPolarHBondContact O-CG 3.44Å; C1693-P1696 WeakPolarHBondContact O-CD 3.19Å; P1696-S1700 PolarHBondContact O-N 2.98Å; P1696-S1700 VanDerWaalsContact O-N 3.12Å
1697L89.8Confident85.9Confident0 Ų020.7 Ų20.70%010%0.104CC..Hα-helixtrans-68.2-45.7176.3-71.7-176.6000112.1V1525 L1528 I1624 L1627 F1628 C1693 R1695 Q1699 S1700 T1701V1525-L1697 HydrophobicContact CG1-CD2 4.03Å; V1525-L1697 HydrophobicContact CG1-CG 4.16Å; V1525-L1697 HydrophobicContact CG2-CD2 4.4Å; V1525-L1697 HydrophobicContact CG2-CG 4.4Å; L1528-L1697 HydrophobicContact CB-CD2 4.44Å; L1528-L1697 HydrophobicContact CD1-CD2 3.87Å; I1624-L1697 HydrophobicContact CG1-CD2 4.25Å; I1624-L1697 HydrophobicContact CG2-CB 4.04Å; I1624-L1697 HydrophobicContact CG2-CD2 4.16Å; L1627-L1697 HydrophobicContact CB-CD1 4.16Å; L1627-L1697 HydrophobicContact CD2-CD1 4.24Å; L1627-L1697 HydrophobicContact CG-CD1 4.18Å; F1628-L1697 HydrophobicContact CB-CD1 3.97Å; C1693-L1697 VanDerWaalsContact O-CB 3.31Å; C1693-L1697 WeakPolarHBondContact O-CB 3.35Å; C1693-L1697 VanDerWaalsContact O-CG 3.27Å; C1693-L1697 WeakPolarHBondContact O-CG 3.26Å; C1693-L1697 PolarHBondContact O-N 3.22Å; C1693-L1697 VanDerWaalsContact SG-CD1 3.53Å; R1695-L1697 PolarHBondContact O-N 3Å; L1697-Q1699 VanDerWaalsContact C-N 3.3Å; L1697-Q1699 PolarHBondContact O-N 2.9Å; L1697-S1700 PolarHBondContact O-N 3.11Å; L1697-S1700 VanDerWaalsContact O-N 3.12Å; L1697-T1701 PolarHBondContact O-N 2.88Å; L1697-T1701 PolarHBondContact O-OG1 2.68Å
1698L90.8Very high85.7Confident1 Ų121.3 Ų21.31%0.00511%0.107CC..Hα-helixtrans-60.9-39175.3-73.8168.9000111.8F1628 W1690 W1694 R1695 S1700 T1701 A1702 L1720 A1723 L1724 L1729 V1744F1628-L1698 HydrophobicContact CD2-CG 4.41Å; F1628-L1698 HydrophobicContact CE2-CD1 4.05Å; F1628-L1698 HydrophobicContact CE2-CD2 3.87Å; F1628-L1698 HydrophobicContact CE2-CG 3.78Å; F1628-L1698 HydrophobicContact CZ-CD2 4.25Å; W1690-L1698 HydrophobicContact CH2-CD1 4.3Å; W1690-L1698 HydrophobicContact CZ3-CD1 4.02Å; W1694-L1698 VanDerWaalsContact O-CB 3.3Å; W1694-L1698 WeakPolarHBondContact O-CB 3.37Å; W1694-L1698 WeakPolarHBondContact O-CD1 3.2Å; W1694-L1698 WeakPolarHBondContact O-CG 3.44Å; W1694-L1698 PolarHBondContact O-N 2.97Å; R1695-L1698 PolarHBondContact O-N 3.42Å; L1698-S1700 PolarHBondContact O-N 3.39Å; L1698-T1701 PolarHBondContact O-N 2.99Å; L1698-A1702 WeakPolarHBondContact O-CB 3.3Å; L1698-A1702 PolarHBondContact O-N 2.99Å; L1698-L1720 HydrophobicContact CD2-CD1 3.97Å; L1698-A1723 HydrophobicContact CD2-CB 3.79Å; L1698-L1724 HydrophobicContact CD1-CD2 4.17Å; L1698-L1724 HydrophobicContact CD2-CD2 3.96Å; L1698-L1724 HydrophobicContact CD2-CG 4.35Å; L1698-L1729 HydrophobicContact CD1-CD1 4.09Å; L1698-V1744 HydrophobicContact CB-CG1 4.13Å; L1698-V1744 HydrophobicContact CB-CG2 3.95Å
1699Q91Very high85.6Confident7 Ų719.7 Ų19.73%0.03310%0.098CC..Hα-helixtrans-57.7-46.3172.1-77.7-178.7-22.900111.5V1484 L1485 R1695 L1697 A1702 R1703 E1743 V1744V1484-Q1699 PolarHBondContact O-NE2 3.23Å; L1485-Q1699 HydrophobicContact CD2-CB 4.43Å; L1485-Q1699 HydrophobicContact CD2-CG 4.26Å; R1695-Q1699 WeakPolarHBondContact O-CG 3.41Å; R1695-Q1699 PolarHBondContact O-N 2.98Å; L1697-Q1699 VanDerWaalsContact C-N 3.3Å; L1697-Q1699 PolarHBondContact O-N 2.9Å; Q1699-A1702 PolarHBondContact O-N 3.12Å; Q1699-R1703 WeakPolarHBondContact O-CB 3.49Å; Q1699-R1703 PolarHBondContact O-N 3.1Å; Q1699-E1743 WeakPolarHBondContact CG-O 3.4Å; Q1699-E1743 PolarHBondContact NE2-O 2.99Å; Q1699-E1743 VanDerWaalsContact NE2-O 3.11Å; Q1699-V1744 HydrophobicContact CG-CG2 4.11Å
1700S85.4Confident85.3Confident3 Ų326.1 Ų26.12%0.02112%0.122CC..Hα-helixtrans-67.5-36.6177.5-77.90000113.8P1696 L1697 L1698 R1703 L1704P1696-S1700 PolarHBondContact O-N 2.98Å; P1696-S1700 VanDerWaalsContact O-N 3.12Å; L1697-S1700 PolarHBondContact O-N 3.11Å; L1697-S1700 VanDerWaalsContact O-N 3.12Å; L1698-S1700 PolarHBondContact O-N 3.39Å; S1700-R1703 PolarHBondContact O-N 3.06Å; S1700-L1704 PolarHBondContact O-N 3.3Å; S1700-L1704 VanDerWaalsContact O-N 3.14Å
1701T89.1Confident84.8Confident7 Ų730.6 Ų30.64%0.04315%0.147CC..Hα-helixtrans-64.8-43.7172.3-46.60000111.5L1621 I1624 L1697 L1698 R1703 L1704 C1705 A1716 L1720L1621-T1701 HydrophobicContact CD2-CG2 3.85Å; I1624-T1701 WeakPolarHBondContact CG2-OG1 3.14Å; L1697-T1701 PolarHBondContact O-N 2.88Å; L1697-T1701 PolarHBondContact O-OG1 2.68Å; L1698-T1701 PolarHBondContact O-N 2.99Å; T1701-R1703 VanDerWaalsContact C-N 3.34Å; T1701-L1704 PolarHBondContact O-N 3.03Å; T1701-C1705 PolarHBondContact O-N 3.44Å; T1701-C1705 PolarHBondContact O-SG 2.76Å; T1701-A1716 WeakPolarHBondContact CG2-O 3.44Å; T1701-L1720 HydrophobicContact CG2-CB 3.86Å; T1701-L1720 HydrophobicContact CG2-CD1 4.42Å
1702A88.6Confident84.7Confident0 Ų027.6 Ų27.60%013%0.13CC..Hα-helixtrans-63.8-38.7174.600000112.1L1485 L1698 Q1699 L1704 C1705 L1720 V1744 L1748L1485-A1702 HydrophobicContact CD1-CB 3.94Å; L1485-A1702 HydrophobicContact CD2-CB 3.89Å; L1698-A1702 WeakPolarHBondContact O-CB 3.3Å; L1698-A1702 PolarHBondContact O-N 2.99Å; Q1699-A1702 PolarHBondContact O-N 3.12Å; A1702-L1704 VanDerWaalsContact C-N 3.33Å; A1702-L1704 PolarHBondContact O-N 3.09Å; A1702-C1705 VanDerWaalsContact O-CB 3.22Å; A1702-C1705 WeakPolarHBondContact O-CB 3.43Å; A1702-C1705 PolarHBondContact O-N 2.92Å; A1702-L1720 HydrophobicContact CB-CD1 4.46Å; A1702-L1720 HydrophobicContact CB-CD2 4.08Å; A1702-V1744 HydrophobicContact CB-CG1 3.74Å; A1702-L1748 HydrophobicContact CB-CB 4.35Å; A1702-L1748 HydrophobicContact CB-CD2 4.26Å
1703R88Confident84.9Confident57 Ų5726 Ų2622%0.21512%0.121CC..Hα-helixtrans-61.5-38177.4-171.659.2174.5134.113.8112.2L1485 V1532 E1533 I1536 Q1699 S1700 T1701 C1705 S1706L1485-R1703 HydrophobicContact CB-CB 4.21Å; V1532-R1703 HydrophobicContact CG1-CB 4.49Å; V1532-R1703 HydrophobicContact CG1-CG 4.46Å; E1533-R1703 IonicContact OE1-CZ 3.11Å; E1533-R1703 IonicContact OE1-NE 2.82Å; E1533-R1703 PolarHBondContact OE1-NE 3.19Å; E1533-R1703 IonicContact OE1-NH2 3.97Å; E1533-R1703 PolarHBondContact OE1-NH2 3.48Å; E1533-R1703 IonicContact OE2-CZ 2.65Å; E1533-R1703 IonicContact OE2-NE 2.91Å; E1533-R1703 IonicContact OE2-NH2 3.75Å; E1533-R1703 PolarHBondContact OE2-NH2 2.78Å; I1536-R1703 HydrophobicContact CD1-CB 4.43Å; I1536-R1703 HydrophobicContact CD1-CG 3.66Å; I1536-R1703 WeakPolarHBondContact CD1-O 3.28Å; Q1699-R1703 WeakPolarHBondContact O-CB 3.49Å; Q1699-R1703 PolarHBondContact O-N 3.1Å; S1700-R1703 PolarHBondContact O-N 3.06Å; T1701-R1703 VanDerWaalsContact C-N 3.34Å; R1703-C1705 VanDerWaalsContact C-N 3.32Å; R1703-C1705 PolarHBondContact O-N 3.32Å; R1703-S1706 PolarHBondContact O-N 3.26Å
1704L86.3Confident84.8Confident0 Ų027.3 Ų27.30%013%0.129CC..Hα-helixtrans-70.3-20.7172-75.9173.5000114.3V1532 I1536 L1621 S1700 T1701 A1702 S1706 D1707 V1712 A1716V1532-L1704 HydrophobicContact CG1-CD1 4.38Å; V1532-L1704 HydrophobicContact CG1-CD2 4.17Å; V1532-L1704 HydrophobicContact CG1-CG 3.83Å; V1532-L1704 HydrophobicContact CG2-CD1 3.9Å; V1532-L1704 HydrophobicContact CG2-CG 4.26Å; I1536-L1704 HydrophobicContact CD1-CD2 4.03Å; I1536-L1704 HydrophobicContact CG1-CD2 3.95Å; L1621-L1704 HydrophobicContact CD1-CD1 4.41Å; L1621-L1704 HydrophobicContact CD2-CB 4.42Å; L1621-L1704 HydrophobicContact CD2-CD1 3.53Å; L1621-L1704 HydrophobicContact CG-CD1 3.72Å; S1700-L1704 PolarHBondContact O-N 3.3Å; S1700-L1704 VanDerWaalsContact O-N 3.14Å; T1701-L1704 PolarHBondContact O-N 3.03Å; A1702-L1704 VanDerWaalsContact C-N 3.33Å; A1702-L1704 PolarHBondContact O-N 3.09Å; L1704-S1706 PolarHBondContact O-N 3.19Å; L1704-D1707 VanDerWaalsContact O-CB 3.28Å; L1704-D1707 WeakPolarHBondContact O-CB 3.49Å; L1704-D1707 PolarHBondContact O-N 2.56Å; L1704-D1707 VanDerWaalsContact O-N 3.15Å; L1704-V1712 HydrophobicContact CD2-CG1 4.22Å; L1704-A1716 HydrophobicContact CB-CB 3.73Å
1705C86.2Confident84.5Confident0 Ų030.2 Ų30.20%014%0.144CC..THydrogen-bonded Turntrans-65.3-18.3174.8-60.70000112.5T1701 A1702 R1703 R1713 A1716 L1717 L1748 F1752T1701-C1705 PolarHBondContact O-N 3.44Å; T1701-C1705 PolarHBondContact O-SG 2.76Å; A1702-C1705 VanDerWaalsContact O-CB 3.22Å; A1702-C1705 WeakPolarHBondContact O-CB 3.43Å; A1702-C1705 PolarHBondContact O-N 2.92Å; R1703-C1705 VanDerWaalsContact C-N 3.32Å; R1703-C1705 PolarHBondContact O-N 3.32Å; C1705-R1713 WeakPolarHBondContact O-CD 3.17Å; C1705-R1713 VanDerWaalsContact O-CG 3.28Å; C1705-R1713 WeakPolarHBondContact O-CG 3.3Å; C1705-A1716 VanDerWaalsContact SG-C 3.51Å; C1705-L1717 VanDerWaalsContact SG-CA 3.59Å; C1705-L1717 PolarHBondContact SG-N 2.95Å; C1705-L1717 VanDerWaalsContact SG-N 3.43Å; C1705-L1748 HydrophobicContact CB-CD1 3.66Å; C1705-L1748 HydrophobicContact CB-CD2 4.5Å; C1705-F1752 HydrophobicContact CB-CZ 4.01Å; C1705-F1752 WeakPolarHBondContact O-CE1 3.44Å
1706S79.7Confident84.4Confident35 Ų3527 Ų2725%0.24513%0.132CC..THydrogen-bonded Turntrans-98.610.8176.5-54.90000114R1703 L1704R1703-S1706 PolarHBondContact O-N 3.26Å; L1704-S1706 PolarHBondContact O-N 3.19Å
1707D79Confident84.4Confident4 Ų426.6 Ų26.62%0.02113%0.129CC..  trans-61.4156.4179.5-167.2-85.4000112.9L1704 R1709 V1712 R1713L1704-D1707 VanDerWaalsContact O-CB 3.28Å; L1704-D1707 WeakPolarHBondContact O-CB 3.49Å; L1704-D1707 PolarHBondContact O-N 2.56Å; L1704-D1707 VanDerWaalsContact O-N 3.15Å; D1707-R1709 VanDerWaalsContact C-N 3.32Å; D1707-R1709 VanDerWaalsContact CG-NH2 3.31Å; D1707-R1709 PolarHBondContact O-N 3.46Å; D1707-R1709 WeakPolarHBondContact OD1-CB 3.25Å; D1707-R1709 IonicContact OD1-CZ 3.85Å; D1707-R1709 PolarHBondContact OD1-N 2.92Å; D1707-R1709 IonicContact OD1-NE 2.75Å; D1707-R1709 PolarHBondContact OD1-NE 3.37Å; D1707-R1709 IonicContact OD1-NH2 3.26Å; D1707-R1709 PolarHBondContact OD1-NH2 2.82Å; D1707-R1709 IonicContact OD2-CZ 3.48Å; D1707-R1709 IonicContact OD2-NE 2.7Å; D1707-R1709 IonicContact OD2-NH2 2.73Å; D1707-R1709 PolarHBondContact OD2-NH2 2.73Å; D1707-V1712 HydrophobicContact CB-CB 4.39Å; D1707-V1712 HydrophobicContact CB-CG1 3.97Å; D1707-R1713 HydrophobicContact CB-CG 4.28Å; D1707-R1713 WeakPolarHBondContact O-CD 3.22Å; D1707-R1713 WeakPolarHBondContact O-CG 3.22Å; D1707-R1713 PolarHBondContact O-NH1 3.42Å
1708I73.4Confident84.4Confident100 Ų10028.5 Ų28.551%0.51314%0.141SC..SBendtrans-70.7-25.8178.8-63173.3000112.2L1609 R1713L1609-I1708 HydrophobicContact CD1-CG2 4.42Å; I1708-R1713 PolarHBondContact O-NH1 3.45Å
1709R78.3Confident84.3Confident21 Ų2130.6 Ų30.68%0.07915%0.149CC..SBendtrans-89.9128.4-175.7-63.4157.3-70.5-175.8-0.2111.8C1535 L1609 T1613 S1614 D1707 D1711 V1712 R1713C1535-R1709 PolarHBondContact O-NH2 3.49Å; L1609-R1709 HydrophobicContact CD1-CG 4.08Å; T1613-R1709 PolarHBondContact O-NH1 2.77Å; T1613-R1709 PolarHBondContact OG1-NH1 2.88Å; T1613-R1709 VanDerWaalsContact OG1-NH1 3.09Å; S1614-R1709 WeakPolarHBondContact OG-CD 3.25Å; D1707-R1709 VanDerWaalsContact C-N 3.32Å; D1707-R1709 VanDerWaalsContact CG-NH2 3.31Å; D1707-R1709 PolarHBondContact O-N 3.46Å; D1707-R1709 WeakPolarHBondContact OD1-CB 3.25Å; D1707-R1709 IonicContact OD1-CZ 3.85Å; D1707-R1709 PolarHBondContact OD1-N 2.92Å; D1707-R1709 IonicContact OD1-NE 2.75Å; D1707-R1709 PolarHBondContact OD1-NE 3.37Å; D1707-R1709 IonicContact OD1-NH2 3.26Å; D1707-R1709 PolarHBondContact OD1-NH2 2.82Å; D1707-R1709 IonicContact OD2-CZ 3.48Å; D1707-R1709 IonicContact OD2-NE 2.7Å; D1707-R1709 IonicContact OD2-NH2 2.73Å; D1707-R1709 PolarHBondContact OD2-NH2 2.73Å; R1709-D1711 PolarHBondContact O-N 3.31Å; R1709-V1712 HydrophobicContact CB-CB 4.24Å; R1709-V1712 HydrophobicContact CB-CG2 3.96Å; R1709-V1712 PolarHBondContact O-N 2.63Å; R1709-R1713 PolarHBondContact O-N 3.06Å; R1709-R1713 VanDerWaalsContact O-N 3.15Å
1710R77.3Confident84.3Confident134 Ų13430.3 Ų30.351%0.50615%0.148SC..Hα-helixtrans-54.1-53.7-177.4-174.9-177.5177.1-170.3-1.4113.6V1712 R1713 T1714R1710-V1712 VanDerWaalsContact C-N 3.33Å; R1710-V1712 PolarHBondContact O-N 3Å; R1710-R1713 WeakPolarHBondContact O-CB 3.35Å; R1710-R1713 PolarHBondContact O-N 3.42Å; R1710-R1713 VanDerWaalsContact O-N 3.15Å; R1710-T1714 PolarHBondContact O-N 2.85Å; R1710-T1714 PolarHBondContact O-OG1 3.19Å
1711D77Confident84.4Confident96 Ų9633.3 Ų33.351%0.51316%0.161SC..Hα-helixtrans-60.1-45.3-173.7-53.4-29.2000111.3R1709 R1713 T1714 D1715R1709-D1711 PolarHBondContact O-N 3.31Å; D1711-R1713 PolarHBondContact O-N 3.28Å; D1711-T1714 WeakPolarHBondContact CA-OG1 3.4Å; D1711-T1714 PolarHBondContact O-N 3.14Å; D1711-T1714 VanDerWaalsContact O-N 3.13Å; D1711-T1714 PolarHBondContact O-OG1 3.17Å; D1711-D1715 PolarHBondContact O-N 2.86Å
1712V82.2Confident84.4Confident0 Ų038.7 Ų38.70%018%0.184CC..Hα-helixtrans-58.8-44.3176.9-179.10000111.1A1617 L1704 D1707 R1709 R1710 A1716A1617-V1712 HydrophobicContact CB-CB 4.45Å; A1617-V1712 HydrophobicContact CB-CG1 3.67Å; A1617-V1712 HydrophobicContact CB-CG2 3.85Å; L1704-V1712 HydrophobicContact CD2-CG1 4.22Å; D1707-V1712 HydrophobicContact CB-CB 4.39Å; D1707-V1712 HydrophobicContact CB-CG1 3.97Å; R1709-V1712 HydrophobicContact CB-CB 4.24Å; R1709-V1712 HydrophobicContact CB-CG2 3.96Å; R1709-V1712 PolarHBondContact O-N 2.63Å; R1710-V1712 VanDerWaalsContact C-N 3.33Å; R1710-V1712 PolarHBondContact O-N 3Å; V1712-A1716 WeakPolarHBondContact O-CB 3.21Å; V1712-A1716 PolarHBondContact O-N 3.39Å
1713R86Confident84.3Confident1 Ų139 Ų390%0.00419%0.186CC..Hα-helixtrans-61.1-45.2174.3-68-165.1-66.5-78.60.6112.2C1705 D1707 I1708 R1709 R1710 D1711 A1716 L1717 E1787 F1788 P1791C1705-R1713 WeakPolarHBondContact O-CD 3.17Å; C1705-R1713 VanDerWaalsContact O-CG 3.28Å; C1705-R1713 WeakPolarHBondContact O-CG 3.3Å; D1707-R1713 HydrophobicContact CB-CG 4.28Å; D1707-R1713 WeakPolarHBondContact O-CD 3.22Å; D1707-R1713 WeakPolarHBondContact O-CG 3.22Å; D1707-R1713 PolarHBondContact O-NH1 3.42Å; I1708-R1713 PolarHBondContact O-NH1 3.45Å; R1709-R1713 PolarHBondContact O-N 3.06Å; R1709-R1713 VanDerWaalsContact O-N 3.15Å; R1710-R1713 WeakPolarHBondContact O-CB 3.35Å; R1710-R1713 PolarHBondContact O-N 3.42Å; R1710-R1713 VanDerWaalsContact O-N 3.15Å; D1711-R1713 PolarHBondContact O-N 3.28Å; R1713-A1716 PolarHBondContact O-N 2.99Å; R1713-L1717 WeakPolarHBondContact O-CB 3.43Å; R1713-L1717 PolarHBondContact O-N 2.92Å; R1713-E1787 PolarHBondContact NH2-O 2.83Å; R1713-E1787 IonicContact NH2-OE2 3.85Å; R1713-E1787 PolarHBondContact NH2-OE2 3.04Å; R1713-E1787 VanDerWaalsContact NH2-OE2 3.13Å; R1713-F1788 VanDerWaalsContact CD-CE1 3.46Å; R1713-F1788 VanDerWaalsContact CZ-CE2 3.49Å; R1713-P1791 HydrophobicContact CB-CG 4.34Å
1714T83.5Confident84.2Confident27 Ų2736.2 Ų36.217%0.16618%0.176CC..Hα-helixtrans-68.3-37.1-176.742.90000112.8R1710 D1711 T1718R1710-T1714 PolarHBondContact O-N 2.85Å; R1710-T1714 PolarHBondContact O-OG1 3.19Å; D1711-T1714 WeakPolarHBondContact CA-OG1 3.4Å; D1711-T1714 PolarHBondContact O-N 3.14Å; D1711-T1714 VanDerWaalsContact O-N 3.13Å; D1711-T1714 PolarHBondContact O-OG1 3.17Å; T1714-T1718 WeakPolarHBondContact O-CB 3.14Å; T1714-T1718 PolarHBondContact O-N 3.28Å; T1714-T1718 PolarHBondContact O-OG1 3.1Å
1715D85.2Confident84.2Confident61 Ų6137.8 Ų37.833%0.32618%0.184SC..Hα-helixtrans-72.4-45.7173.8-77-23.5000111.3L1621 D1711 L1717 T1718 Y1719L1621-D1715 HydrophobicContact CD1-CB 4.07Å; D1711-D1715 PolarHBondContact O-N 2.86Å; D1715-L1717 VanDerWaalsContact C-N 3.32Å; D1715-L1717 PolarHBondContact O-N 2.92Å; D1715-T1718 CarbonylContact O-C 3.57Å; D1715-T1718 WeakPolarHBondContact O-CA 3.41Å; D1715-T1718 WeakPolarHBondContact O-CB 3.47Å; D1715-T1718 PolarHBondContact O-N 2.87Å; D1715-Y1719 VanDerWaalsContact O-CD2 3.29Å; D1715-Y1719 WeakPolarHBondContact O-CD2 3.4Å; D1715-Y1719 PolarHBondContact O-N 3.47Å
1716A88.3Confident84.1Confident0 Ų038.7 Ų38.70%019%0.191CC..Hα-helixtrans-55.9-46.1178.200000112L1621 T1701 L1704 C1705 V1712 R1713 T1718 Y1719 L1720L1621-A1716 HydrophobicContact CD1-CB 3.88Å; L1621-A1716 HydrophobicContact CD2-CB 3.93Å; T1701-A1716 WeakPolarHBondContact CG2-O 3.44Å; L1704-A1716 HydrophobicContact CB-CB 3.73Å; C1705-A1716 VanDerWaalsContact SG-C 3.51Å; V1712-A1716 WeakPolarHBondContact O-CB 3.21Å; V1712-A1716 PolarHBondContact O-N 3.39Å; R1713-A1716 PolarHBondContact O-N 2.99Å; A1716-T1718 VanDerWaalsContact C-N 3.3Å; A1716-T1718 PolarHBondContact O-N 3.22Å; A1716-Y1719 PolarHBondContact O-N 3.27Å; A1716-L1720 WeakPolarHBondContact O-CB 3.25Å; A1716-L1720 PolarHBondContact O-N 3.19Å
1717L87.5Confident84Confident4 Ų442 Ų422%0.02121%0.212CC..Hα-helixtrans-67.3-32.9178.3-172.857.7000112.2C1705 R1713 D1715 Q1721 P1791 R1794 L1798C1705-L1717 VanDerWaalsContact SG-CA 3.59Å; C1705-L1717 PolarHBondContact SG-N 2.95Å; C1705-L1717 VanDerWaalsContact SG-N 3.43Å; R1713-L1717 WeakPolarHBondContact O-CB 3.43Å; R1713-L1717 PolarHBondContact O-N 2.92Å; D1715-L1717 VanDerWaalsContact C-N 3.32Å; D1715-L1717 PolarHBondContact O-N 2.92Å; L1717-Q1721 WeakPolarHBondContact O-CB 3.44Å; L1717-Q1721 PolarHBondContact O-N 2.7Å; L1717-P1791 HydrophobicContact CD2-CB 4.13Å; L1717-R1794 HydrophobicContact CD2-CB 3.93Å; L1717-L1798 HydrophobicContact CD1-CD2 4.1Å
1718T89.1Confident84Confident40 Ų4043.1 Ų43.125%0.24522%0.218CC..Hα-helixtrans-70.7-38.4174.9-58.70000111.7T1714 D1715 A1716 K1722T1714-T1718 WeakPolarHBondContact O-CB 3.14Å; T1714-T1718 PolarHBondContact O-N 3.28Å; T1714-T1718 PolarHBondContact O-OG1 3.1Å; D1715-T1718 CarbonylContact O-C 3.57Å; D1715-T1718 WeakPolarHBondContact O-CA 3.41Å; D1715-T1718 WeakPolarHBondContact O-CB 3.47Å; D1715-T1718 PolarHBondContact O-N 2.87Å; A1716-T1718 VanDerWaalsContact C-N 3.3Å; A1716-T1718 PolarHBondContact O-N 3.22Å; T1718-K1722 VanDerWaalsContact O-CG 3.29Å; T1718-K1722 WeakPolarHBondContact O-CG 3.49Å; T1718-K1722 PolarHBondContact O-N 3.42Å; T1718-K1722 VanDerWaalsContact O-N 3.1Å
1719Y90.1Very high84.4Confident46 Ų4638.4 Ų38.418%0.1819%0.194CC..Hα-helixtrans-68.4-42.8172.1-83-73.2000112.1L1621 N1625 D1715 A1716 Q1721 K1722 A1723L1621-Y1719 HydrophobicContact CB-CD2 3.76Å; L1621-Y1719 HydrophobicContact CB-CE2 3.97Å; L1621-Y1719 HydrophobicContact CB-CG 4.34Å; L1621-Y1719 HydrophobicContact CD1-CD2 4.19Å; L1621-Y1719 HydrophobicContact CG-CD2 4.41Å; N1625-Y1719 HydrophobicContact CB-CD1 3.81Å; N1625-Y1719 HydrophobicContact CB-CE1 3.95Å; D1715-Y1719 VanDerWaalsContact O-CD2 3.29Å; D1715-Y1719 WeakPolarHBondContact O-CD2 3.4Å; D1715-Y1719 PolarHBondContact O-N 3.47Å; A1716-Y1719 PolarHBondContact O-N 3.27Å; Y1719-Q1721 VanDerWaalsContact C-N 3.34Å; Y1719-Q1721 PolarHBondContact O-N 3.3Å; Y1719-K1722 PolarHBondContact O-N 3.31Å; Y1719-A1723 WeakPolarHBondContact O-CB 3.33Å; Y1719-A1723 PolarHBondContact O-N 3.09Å
1720L89.7Confident84.5Confident0 Ų041.9 Ų41.90%021%0.211CC..Hα-helixtrans-60.9-43.6175.9-174.766.4000111.4L1698 T1701 A1702 A1716 K1722 A1723 L1724 V1744 L1748L1698-L1720 HydrophobicContact CD2-CD1 3.97Å; T1701-L1720 HydrophobicContact CG2-CB 3.86Å; T1701-L1720 HydrophobicContact CG2-CD1 4.42Å; A1702-L1720 HydrophobicContact CB-CD1 4.46Å; A1702-L1720 HydrophobicContact CB-CD2 4.08Å; A1716-L1720 WeakPolarHBondContact O-CB 3.25Å; A1716-L1720 PolarHBondContact O-N 3.19Å; L1720-K1722 PolarHBondContact O-N 2.95Å; L1720-A1723 PolarHBondContact O-N 3.42Å; L1720-L1724 HydrophobicContact CD1-CD1 3.97Å; L1720-L1724 HydrophobicContact CD1-CG 4.08Å; L1720-L1724 HydrophobicContact CD2-CD1 4.43Å; L1720-L1724 HydrophobicContact CG-CD1 3.84Å; L1720-L1724 HydrophobicContact CG-CG 4.3Å; L1720-L1724 WeakPolarHBondContact O-CB 3.35Å; L1720-L1724 WeakPolarHBondContact O-CG 3.21Å; L1720-L1724 PolarHBondContact O-N 2.96Å; L1720-V1744 HydrophobicContact CD1-CG1 4.27Å; L1720-L1748 HydrophobicContact CD2-CD2 3.37Å
1721Q88.8Confident84.5Confident67 Ų6740 Ų4031%0.31321%0.21SC..Hα-helixtrans-62.3-39.6175.1178.1165.446.600112.4L1717 Y1719 L1725 L1798L1717-Q1721 WeakPolarHBondContact O-CB 3.44Å; L1717-Q1721 PolarHBondContact O-N 2.7Å; Y1719-Q1721 VanDerWaalsContact C-N 3.34Å; Y1719-Q1721 PolarHBondContact O-N 3.3Å; Q1721-L1725 HydrophobicContact CG-CD1 3.74Å; Q1721-L1725 WeakPolarHBondContact O-CB 3.34Å; Q1721-L1725 WeakPolarHBondContact O-CD1 3.47Å; Q1721-L1725 WeakPolarHBondContact O-CG 3.44Å; Q1721-L1725 PolarHBondContact O-N 2.84Å; Q1721-L1798 HydrophobicContact CB-CD1 3.99Å; Q1721-L1798 HydrophobicContact CB-CD2 4.36Å; Q1721-L1798 HydrophobicContact CG-CD1 3.81Å
1722K87.7Confident84.7Confident119 Ų11935.8 Ų35.852%0.51719%0.188SC..Hα-helixtrans-65-43.1173.8-73.3166.8-178.6172.90111.9T1718 Y1719 L1720 S1726T1718-K1722 VanDerWaalsContact O-CG 3.29Å; T1718-K1722 WeakPolarHBondContact O-CG 3.49Å; T1718-K1722 PolarHBondContact O-N 3.42Å; T1718-K1722 VanDerWaalsContact O-N 3.1Å; Y1719-K1722 PolarHBondContact O-N 3.31Å; L1720-K1722 PolarHBondContact O-N 2.95Å; K1722-S1726 WeakPolarHBondContact O-CB 3.29Å; K1722-S1726 PolarHBondContact O-N 3.29Å
1723A86.4Confident84.8Confident6 Ų639.1 Ų39.15%0.0521%0.206CC..Hα-helixtrans-67.7-47.1-177.600000112.4F1628 L1698 Y1719 L1720 L1725 S1726F1628-A1723 HydrophobicContact CD1-CB 4.28Å; F1628-A1723 HydrophobicContact CE1-CB 3.74Å; F1628-A1723 HydrophobicContact CE2-CB 4.45Å; F1628-A1723 HydrophobicContact CZ-CB 3.83Å; L1698-A1723 HydrophobicContact CD2-CB 3.79Å; Y1719-A1723 WeakPolarHBondContact O-CB 3.33Å; Y1719-A1723 PolarHBondContact O-N 3.09Å; L1720-A1723 PolarHBondContact O-N 3.42Å; A1723-L1725 PolarHBondContact O-N 3.03Å; A1723-S1726 WeakPolarHBondContact O-CB 3.45Å; A1723-S1726 PolarHBondContact O-N 3.44Å
1724L87.3Confident84.5Confident0 Ų039.6 Ų39.60%021%0.211CC..Hα-helixtrans-68.7-31.7-179.3-68.8176.3000113.5L1698 L1720 S1726 L1729 L1745 V1802L1698-L1724 HydrophobicContact CD1-CD2 4.17Å; L1698-L1724 HydrophobicContact CD2-CD2 3.96Å; L1698-L1724 HydrophobicContact CD2-CG 4.35Å; L1720-L1724 HydrophobicContact CD1-CD1 3.97Å; L1720-L1724 HydrophobicContact CD1-CG 4.08Å; L1720-L1724 HydrophobicContact CD2-CD1 4.43Å; L1720-L1724 HydrophobicContact CG-CD1 3.84Å; L1720-L1724 HydrophobicContact CG-CG 4.3Å; L1720-L1724 WeakPolarHBondContact O-CB 3.35Å; L1720-L1724 WeakPolarHBondContact O-CG 3.21Å; L1720-L1724 PolarHBondContact O-N 2.96Å; L1724-S1726 VanDerWaalsContact C-N 3.32Å; L1724-L1729 HydrophobicContact CD2-CD1 4.33Å; L1724-L1745 HydrophobicContact CD1-CD1 4.29Å; L1724-L1745 HydrophobicContact CD1-CD2 3.7Å; L1724-L1745 HydrophobicContact CD1-CG 4.09Å; L1724-V1802 HydrophobicContact CB-CG2 3.97Å; L1724-V1802 HydrophobicContact CD1-CG2 4.39Å
1725L85.3Confident84.4Confident33 Ų3343.2 Ų43.217%0.17322%0.224CC..THydrogen-bonded Turntrans-904.1176.8-55.3174.9000112.7Q1721 A1723 K1801 V1802 Q1805Q1721-L1725 HydrophobicContact CG-CD1 3.74Å; Q1721-L1725 WeakPolarHBondContact O-CB 3.34Å; Q1721-L1725 WeakPolarHBondContact O-CD1 3.47Å; Q1721-L1725 WeakPolarHBondContact O-CG 3.44Å; Q1721-L1725 PolarHBondContact O-N 2.84Å; A1723-L1725 PolarHBondContact O-N 3.03Å; L1725-K1801 HydrophobicContact CD1-CD 3.98Å; L1725-K1801 HydrophobicContact CD2-CD 4.21Å; L1725-K1801 HydrophobicContact CD2-CG 4.02Å; L1725-V1802 HydrophobicContact CD2-CG2 3.82Å; L1725-Q1805 VanDerWaalsContact CD2-OE1 3.3Å
1726S83.6Confident84.4Confident19 Ų1940.5 Ų40.513%0.13321%0.21CC..SBendtrans-72.6141.4-174.3-176.40000112.8K1722 A1723 L1724 T1728 L1729 H1730K1722-S1726 WeakPolarHBondContact O-CB 3.29Å; K1722-S1726 PolarHBondContact O-N 3.29Å; A1723-S1726 WeakPolarHBondContact O-CB 3.45Å; A1723-S1726 PolarHBondContact O-N 3.44Å; L1724-S1726 VanDerWaalsContact C-N 3.32Å; S1726-T1728 PolarHBondContact O-N 3.43Å; S1726-T1728 WeakPolarHBondContact OG-CB 3.17Å; S1726-T1728 PolarHBondContact OG-N 3.27Å; S1726-T1728 PolarHBondContact OG-OG1 3.15Å; S1726-L1729 PolarHBondContact O-N 3.19Å; S1726-L1729 VanDerWaalsContact O-N 3.16Å; S1726-H1730 PolarHBondContact O-CE1 3.49Å; S1726-H1730 VanDerWaalsContact O-CE1 3.29Å; S1726-H1730 PolarHBondContact O-ND1 2.89Å
1727P78.2Confident84.5Confident105 Ų10540.6 Ų40.668%0.68221%0.21SC*.G310 helixtrans-48.4-30165.7-28.636.4000113.9L1729 H1730P1727-L1729 VanDerWaalsContact C-N 3.26Å; P1727-L1729 PolarHBondContact O-N 3.44Å; P1727-H1730 WeakPolarHBondContact CA-ND1 3.41Å; P1727-H1730 WeakPolarHBondContact O-CB 3.31Å; P1727-H1730 PolarHBondContact O-N 3.26Å; P1727-H1730 VanDerWaalsContact O-N 3.08Å
1728T78.9Confident84.5Confident27 Ų2741.1 Ų41.117%0.16621%0.212CC..G310 helixtrans-52.7-38.6178.6-490000113.5W1694 S1726W1694-T1728 HydrophobicContact CZ2-CG2 3.6Å; S1726-T1728 PolarHBondContact O-N 3.43Å; S1726-T1728 WeakPolarHBondContact OG-CB 3.17Å; S1726-T1728 PolarHBondContact OG-N 3.27Å; S1726-T1728 PolarHBondContact OG-OG1 3.15Å
1729L82.3Confident84.3Confident0 Ų041.3 Ų41.30%021%0.212CC..G310 helixtrans-90.6-3.1-178.3-60.6-173000114.2F1628 W1694 L1698 L1724 S1726 P1727 L1731 L1732 W1737F1628-L1729 HydrophobicContact CE2-CD1 4.48Å; F1628-L1729 HydrophobicContact CE2-CD2 3.94Å; F1628-L1729 HydrophobicContact CE2-CG 4.45Å; F1628-L1729 HydrophobicContact CZ-CD1 3.92Å; F1628-L1729 HydrophobicContact CZ-CD2 3.65Å; F1628-L1729 HydrophobicContact CZ-CG 3.74Å; W1694-L1729 HydrophobicContact CB-CD2 4.38Å; W1694-L1729 HydrophobicContact CD2-CD2 3.93Å; W1694-L1729 HydrophobicContact CE3-CD2 4.24Å; W1694-L1729 HydrophobicContact CG-CD2 4.06Å; L1698-L1729 HydrophobicContact CD1-CD1 4.09Å; L1724-L1729 HydrophobicContact CD2-CD1 4.33Å; S1726-L1729 PolarHBondContact O-N 3.19Å; S1726-L1729 VanDerWaalsContact O-N 3.16Å; P1727-L1729 VanDerWaalsContact C-N 3.26Å; P1727-L1729 PolarHBondContact O-N 3.44Å; L1729-L1731 PolarHBondContact O-N 2.83Å; L1729-L1731 VanDerWaalsContact O-N 3.11Å; L1729-L1732 HydrophobicContact CB-CD1 4.15Å; L1729-L1732 HydrophobicContact CB-CG 4.41Å; L1729-L1732 HydrophobicContact CD2-CD1 4.1Å; L1729-L1732 HydrophobicContact CD2-CG 4.46Å; L1729-L1732 WeakPolarHBondContact O-CB 3.4Å; L1729-L1732 WeakPolarHBondContact O-CG 3.21Å; L1729-L1732 PolarHBondContact O-N 3.26Å; L1729-W1737 HydrophobicContact CB-CH2 3.87Å; L1729-W1737 HydrophobicContact CB-CZ2 3.59Å; L1729-W1737 HydrophobicContact CD1-CH2 3.9Å; L1729-W1737 HydrophobicContact CD1-CZ2 4.43Å; L1729-W1737 WeakPolarHBondContact O-CZ2 3.36Å; L1729-W1737 PolarHBondContact O-NE1 3.07Å
1730H80.1Confident84.2Confident94 Ų9439.1 Ų39.144%0.43520%0.203SC..G310 helixtrans-69.9-7.7177.6-6752.9000112.5S1726 P1727 Q1805 H1806S1726-H1730 PolarHBondContact O-CE1 3.49Å; S1726-H1730 VanDerWaalsContact O-CE1 3.29Å; S1726-H1730 PolarHBondContact O-ND1 2.89Å; P1727-H1730 WeakPolarHBondContact CA-ND1 3.41Å; P1727-H1730 WeakPolarHBondContact O-CB 3.31Å; P1727-H1730 PolarHBondContact O-N 3.26Å; P1727-H1730 VanDerWaalsContact O-N 3.08Å; H1730-Q1805 PolarHBondContact CE1-NE2 2.86Å; H1730-Q1805 PolarHBondContact NE2-NE2 3.32Å; H1730-H1806 AromaticContact CD2-CE1 3.82Å; H1730-H1806 AromaticContact CE1-CE1 3.65Å; H1730-H1806 AromaticContact CG-CE1 3.91Å; H1730-H1806 AromaticContact ND1-CE1 3.79Å; H1730-H1806 AromaticContact NE2-CE1 3.66Å
1731L77.9Confident84.2Confident94 Ų9439.1 Ų39.149%0.49220%0.203SC..G310 helixtrans-80.6-11.6171.3-59.5173.2000113.5T1632 L1686 L1729T1632-L1731 HydrophobicContact CG2-CD1 4.45Å; L1686-L1731 HydrophobicContact CD2-CB 3.76Å; L1686-L1731 HydrophobicContact CD2-CD1 4.44Å; L1729-L1731 PolarHBondContact O-N 2.83Å; L1729-L1731 VanDerWaalsContact O-N 3.11Å
1732L81.5Confident84.2Confident9 Ų937.2 Ų37.25%0.04720%0.195CC..  trans-73.2138.8-179.4-64.5-177.7000111.7W1690 W1694 L1729 Q1736 W1737W1690-L1732 HydrophobicContact CB-CD2 4.31Å; W1690-L1732 HydrophobicContact CD2-CD2 4.27Å; W1690-L1732 HydrophobicContact CE3-CD1 3.7Å; W1690-L1732 HydrophobicContact CE3-CD2 3.78Å; W1690-L1732 HydrophobicContact CE3-CG 4.42Å; W1690-L1732 HydrophobicContact CH2-CD1 4.45Å; W1690-L1732 HydrophobicContact CZ3-CD1 3.65Å; W1694-L1732 HydrophobicContact CE3-CD2 3.74Å; W1694-L1732 HydrophobicContact CZ3-CD2 3.65Å; L1729-L1732 HydrophobicContact CB-CD1 4.15Å; L1729-L1732 HydrophobicContact CB-CG 4.41Å; L1729-L1732 HydrophobicContact CD2-CD1 4.1Å; L1729-L1732 HydrophobicContact CD2-CG 4.46Å; L1729-L1732 WeakPolarHBondContact O-CB 3.4Å; L1729-L1732 WeakPolarHBondContact O-CG 3.21Å; L1729-L1732 PolarHBondContact O-N 3.26Å; L1732-Q1736 VanDerWaalsContact CA-OE1 3.25Å; L1732-Q1736 HydrophobicContact CB-CB 4Å; L1732-Q1736 HydrophobicContact CD1-CB 4.41Å; L1732-Q1736 HydrophobicContact CD2-CB 4.02Å; L1732-Q1736 HydrophobicContact CD2-CG 4.47Å; L1732-Q1736 HydrophobicContact CG-CB 4.37Å; L1732-W1737 HydrophobicContact CB-CG 4.4Å; L1732-W1737 HydrophobicContact CD1-CD2 4.39Å; L1732-W1737 HydrophobicContact CD1-CZ2 4.42Å
1733N82.8Confident84.1Confident70 Ų7033.4 Ų33.437%0.37418%0.179SC..  trans-74.3168171.170.744.7000111.6K1735 Q1736 W1737N1733-K1735 VanDerWaalsContact C-N 3.28Å; N1733-K1735 PolarHBondContact O-N 2.86Å; N1733-K1735 WeakPolarHBondContact OD1-CA 3.41Å; N1733-K1735 WeakPolarHBondContact OD1-CB 3.32Å; N1733-K1735 PolarHBondContact OD1-N 3.2Å; N1733-Q1736 PolarHBondContact ND2-NE2 2.87Å; N1733-Q1736 PolarHBondContact O-N 2.88Å; N1733-Q1736 WeakPolarHBondContact OD1-CG 3.46Å; N1733-Q1736 PolarHBondContact OD1-N 3.14Å; N1733-W1737 PolarHBondContact O-N 2.65Å
1734G80.7Confident84.1Confident10 Ų1033.1 Ų33.110%0.10318%0.177CC..Hα-helixtrans-53.4-42.2-18000000113.8Q1736 W1737 E1738 P1809G1734-Q1736 PolarHBondContact O-N 2.97Å; G1734-W1737 WeakPolarHBondContact O-CB 3.41Å; G1734-W1737 PolarHBondContact O-N 2.93Å; G1734-E1738 PolarHBondContact O-N 3.43Å; G1734-P1809 WeakPolarHBondContact CA-O 3.29Å
1735K81.9Confident84.2Confident104 Ų10433.3 Ų33.345%0.45218%0.178SC..Hα-helixtrans-67.9-37.5-177.9-16772.3-164.9170.90112.2N1733 E1738 N1739N1733-K1735 VanDerWaalsContact C-N 3.28Å; N1733-K1735 PolarHBondContact O-N 2.86Å; N1733-K1735 WeakPolarHBondContact OD1-CA 3.41Å; N1733-K1735 WeakPolarHBondContact OD1-CB 3.32Å; N1733-K1735 PolarHBondContact OD1-N 3.2Å; K1735-E1738 WeakPolarHBondContact CD-OE2 3.38Å; K1735-E1738 VanDerWaalsContact CE-OE2 3.29Å; K1735-E1738 WeakPolarHBondContact CE-OE2 3.38Å; K1735-E1738 IonicContact NZ-OE1 3.25Å; K1735-E1738 IonicContact NZ-OE2 3.55Å; K1735-E1738 PolarHBondContact NZ-OE2 2.91Å; K1735-E1738 PolarHBondContact O-N 3.33Å; K1735-N1739 PolarHBondContact O-N 3.38Å; K1735-N1739 PolarHBondContact O-ND2 3.09Å; K1735-N1739 PolarHBondContact O-OD1 3.18Å
1736Q85Confident84.5Confident4 Ų431.7 Ų31.72%0.01917%0.169CC..Hα-helixtrans-66.8-38.4173.3-68.6163.4-13.400111.2D1687 W1690 L1732 N1733 G1734 N1739 C1740D1687-Q1736 PolarHBondContact OD1-NE2 2.91Å; W1690-Q1736 HydrophobicContact CD2-CB 4.39Å; W1690-Q1736 HydrophobicContact CG-CB 4.39Å; W1690-Q1736 HydrophobicContact CG-CG 4.14Å; W1690-Q1736 WeakPolarHBondContact CZ2-O 3.43Å; L1732-Q1736 VanDerWaalsContact CA-OE1 3.25Å; L1732-Q1736 HydrophobicContact CB-CB 4Å; L1732-Q1736 HydrophobicContact CD1-CB 4.41Å; L1732-Q1736 HydrophobicContact CD2-CB 4.02Å; L1732-Q1736 HydrophobicContact CD2-CG 4.47Å; L1732-Q1736 HydrophobicContact CG-CB 4.37Å; N1733-Q1736 PolarHBondContact ND2-NE2 2.87Å; N1733-Q1736 PolarHBondContact O-N 2.88Å; N1733-Q1736 WeakPolarHBondContact OD1-CG 3.46Å; N1733-Q1736 PolarHBondContact OD1-N 3.14Å; G1734-Q1736 PolarHBondContact O-N 2.97Å; Q1736-N1739 PolarHBondContact O-N 3.47Å; Q1736-C1740 PolarHBondContact O-N 3.36Å
1737W89.4Confident84.6Confident1 Ų130.8 Ų30.80%0.00416%0.163CC..Hα-helixtrans-64.3-44.2171.4-86.8112.2000112.8L1729 L1732 N1733 G1734 N1739 C1740 F1741 V1802 H1806 L1810L1729-W1737 HydrophobicContact CB-CH2 3.87Å; L1729-W1737 HydrophobicContact CB-CZ2 3.59Å; L1729-W1737 HydrophobicContact CD1-CH2 3.9Å; L1729-W1737 HydrophobicContact CD1-CZ2 4.43Å; L1729-W1737 WeakPolarHBondContact O-CZ2 3.36Å; L1729-W1737 PolarHBondContact O-NE1 3.07Å; L1732-W1737 HydrophobicContact CB-CG 4.4Å; L1732-W1737 HydrophobicContact CD1-CD2 4.39Å; L1732-W1737 HydrophobicContact CD1-CZ2 4.42Å; N1733-W1737 PolarHBondContact O-N 2.65Å; G1734-W1737 WeakPolarHBondContact O-CB 3.41Å; G1734-W1737 PolarHBondContact O-N 2.93Å; W1737-N1739 VanDerWaalsContact C-N 3.29Å; W1737-N1739 PolarHBondContact O-N 3.47Å; W1737-C1740 HydrophobicContact CE3-CB 4.07Å; W1737-C1740 HydrophobicContact CZ3-CB 4.46Å; W1737-C1740 WeakPolarHBondContact O-CA 3.28Å; W1737-C1740 VanDerWaalsContact O-CB 3.23Å; W1737-C1740 WeakPolarHBondContact O-CB 3.44Å; W1737-C1740 PolarHBondContact O-N 2.8Å; W1737-F1741 VanDerWaalsContact O-CD2 3.26Å; W1737-F1741 WeakPolarHBondContact O-CD2 3.05Å; W1737-F1741 PolarHBondContact O-N 3.08Å; W1737-V1802 HydrophobicContact CE3-CG1 4.33Å; W1737-V1802 HydrophobicContact CH2-CG1 4.38Å; W1737-V1802 HydrophobicContact CZ3-CG1 3.71Å; W1737-H1806 HydrophobicContact CD2-CB 4.23Å; W1737-H1806 AromaticContact CE2-CD2 3.75Å; W1737-H1806 AromaticContact CE2-CE1 3.97Å; W1737-H1806 AromaticContact CE2-CG 3.57Å; W1737-H1806 AromaticContact CE2-ND1 3.72Å; W1737-H1806 HydrophobicContact CG-CB 4.4Å; W1737-H1806 AromaticContact CH2-CD2 3.53Å; W1737-H1806 AromaticContact CH2-NE2 3.55Å; W1737-H1806 AromaticContact CZ2-CD2 3.41Å; W1737-H1806 VanDerWaalsContact CZ2-CD2 3.41Å; W1737-H1806 WeakPolarHBondContact CZ2-CD2 3.28Å; W1737-H1806 AromaticContact CZ2-CE1 3.49Å; W1737-H1806 VanDerWaalsContact CZ2-CE1 3.49Å; W1737-H1806 WeakPolarHBondContact CZ2-CE1 3.49Å; W1737-H1806 AromaticContact CZ2-CG 3.69Å; W1737-H1806 AromaticContact CZ2-ND1 3.73Å; W1737-H1806 AromaticContact CZ2-NE2 3.3Å; W1737-H1806 VanDerWaalsContact CZ2-NE2 3.3Å; W1737-H1806 WeakPolarHBondContact CZ2-NE2 3.4Å; W1737-H1806 AromaticContact CZ3-CD2 3.97Å; W1737-H1806 AromaticContact NE1-CG 3.85Å; W1737-H1806 AromaticContact NE1-ND1 3.7Å; W1737-L1810 HydrophobicContact CB-CD2 3.8Å
1738E87.1Confident84.9Confident15 Ų1526 Ų267%0.0713%0.132CC..Hα-helixtrans-57.2-42.3173-173.4-167.6-170.300111.7G1734 K1735 C1740 F1741 N1742 L1813 T1815G1734-E1738 PolarHBondContact O-N 3.43Å; K1735-E1738 WeakPolarHBondContact CD-OE2 3.38Å; K1735-E1738 VanDerWaalsContact CE-OE2 3.29Å; K1735-E1738 WeakPolarHBondContact CE-OE2 3.38Å; K1735-E1738 IonicContact NZ-OE1 3.25Å; K1735-E1738 IonicContact NZ-OE2 3.55Å; K1735-E1738 PolarHBondContact NZ-OE2 2.91Å; K1735-E1738 PolarHBondContact O-N 3.33Å; E1738-C1740 VanDerWaalsContact C-N 3.33Å; E1738-C1740 PolarHBondContact O-N 3.02Å; E1738-F1741 PolarHBondContact O-N 2.91Å; E1738-N1742 PolarHBondContact O-N 3.3Å; E1738-N1742 PolarHBondContact O-ND2 3.45Å; E1738-L1813 HydrophobicContact CB-CD1 3.89Å; E1738-L1813 HydrophobicContact CG-CD1 4.47Å; E1738-T1815 VanDerWaalsContact OE1-CB 3.23Å; E1738-T1815 WeakPolarHBondContact OE1-CB 3.38Å; E1738-T1815 PolarHBondContact OE1-OG1 3.44Å; E1738-T1815 PolarHBondContact OE2-OG1 3.15Å
1739N85.3Confident85.3Confident44 Ų4425 Ų2524%0.23513%0.125CC..Hα-helixtrans-62.9-38.4173.2-65.7-14.8000111.3W1690 K1735 Q1736 W1737 F1741 N1742 E1743W1690-N1739 HydrophobicContact CZ2-CB 4.17Å; K1735-N1739 PolarHBondContact O-N 3.38Å; K1735-N1739 PolarHBondContact O-ND2 3.09Å; K1735-N1739 PolarHBondContact O-OD1 3.18Å; Q1736-N1739 PolarHBondContact O-N 3.47Å; W1737-N1739 VanDerWaalsContact C-N 3.29Å; W1737-N1739 PolarHBondContact O-N 3.47Å; N1739-F1741 VanDerWaalsContact C-N 3.32Å; N1739-F1741 PolarHBondContact O-N 3.3Å; N1739-N1742 PolarHBondContact O-N 3.22Å; N1739-E1743 VanDerWaalsContact O-CB 3.26Å; N1739-E1743 WeakPolarHBondContact O-CB 3.21Å; N1739-E1743 PolarHBondContact O-N 3.39Å
1740C88.4Confident85.4Confident0 Ų025 Ų250%013%0.125CC..Hα-helixtrans-60.7-38.1173.4-166.90000112.9W1690 Q1736 W1737 E1738 V1744 L1745W1690-C1740 HydrophobicContact CH2-CB 3.52Å; W1690-C1740 HydrophobicContact CZ2-CB 4.04Å; W1690-C1740 HydrophobicContact CZ3-CB 4.44Å; Q1736-C1740 PolarHBondContact O-N 3.36Å; W1737-C1740 HydrophobicContact CE3-CB 4.07Å; W1737-C1740 HydrophobicContact CZ3-CB 4.46Å; W1737-C1740 WeakPolarHBondContact O-CA 3.28Å; W1737-C1740 VanDerWaalsContact O-CB 3.23Å; W1737-C1740 WeakPolarHBondContact O-CB 3.44Å; W1737-C1740 PolarHBondContact O-N 2.8Å; E1738-C1740 VanDerWaalsContact C-N 3.33Å; E1738-C1740 PolarHBondContact O-N 3.02Å; C1740-V1744 WeakPolarHBondContact O-CB 3.22Å; C1740-V1744 PolarHBondContact O-N 3.03Å; C1740-V1744 VanDerWaalsContact O-N 3.17Å; C1740-L1745 PolarHBondContact O-N 3.33Å
1741F90Very high85.2Confident1 Ų121.1 Ų21.10%0.00411%0.111CC..Iπ-helixtrans-65.8-49.6172.5-79.8-83.9000111.5W1737 E1738 N1739 L1745 F1746 L1799 V1802 Y1803 L1810 L1819W1737-F1741 VanDerWaalsContact O-CD2 3.26Å; W1737-F1741 WeakPolarHBondContact O-CD2 3.05Å; W1737-F1741 PolarHBondContact O-N 3.08Å; E1738-F1741 PolarHBondContact O-N 2.91Å; N1739-F1741 VanDerWaalsContact C-N 3.32Å; N1739-F1741 PolarHBondContact O-N 3.3Å; F1741-L1745 HydrophobicContact CD1-CB 4.35Å; F1741-L1745 HydrophobicContact CD1-CD1 3.76Å; F1741-L1745 HydrophobicContact CE1-CD1 3.69Å; F1741-L1745 HydrophobicContact CG-CD1 4.38Å; F1741-L1745 HydrophobicContact CZ-CD1 4.22Å; F1741-L1745 PolarHBondContact O-N 3.2Å; F1741-F1746 HydrophobicContact CB-CD2 4.08Å; F1741-F1746 HydrophobicContact CB-CE2 3.71Å; F1741-F1746 HydrophobicContact CB-CZ 4.24Å; F1741-F1746 HydrophobicContact CD1-CE2 4.46Å; F1741-F1746 HydrophobicContact CD1-CZ 4.15Å; F1741-F1746 HydrophobicContact CG-CE2 4.5Å; F1741-F1746 WeakPolarHBondContact O-CB 3.04Å; F1741-F1746 WeakPolarHBondContact O-CD2 3.43Å; F1741-F1746 WeakPolarHBondContact O-CG 3.41Å; F1741-F1746 PolarHBondContact O-N 3.27Å; F1741-L1799 HydrophobicContact CD1-CD1 3.81Å; F1741-L1799 HydrophobicContact CE1-CD1 3.69Å; F1741-V1802 HydrophobicContact CE2-CG1 4.4Å; F1741-V1802 HydrophobicContact CZ-CB 4.41Å; F1741-V1802 HydrophobicContact CZ-CG1 3.93Å; F1741-Y1803 HydrophobicContact CZ-CD2 4.23Å; F1741-L1810 HydrophobicContact CD2-CD2 4.49Å; F1741-L1810 HydrophobicContact CE2-CD1 3.77Å; F1741-L1810 HydrophobicContact CE2-CD2 4.37Å; F1741-L1810 HydrophobicContact CZ-CD1 4.33Å; F1741-L1819 HydrophobicContact CB-CD1 3.71Å; F1741-L1819 HydrophobicContact CD1-CD1 4.47Å; F1741-L1819 HydrophobicContact CD2-CD1 4.36Å; F1741-L1819 HydrophobicContact CD2-CD2 4.34Å; F1741-L1819 HydrophobicContact CG-CD1 3.94Å
1742N88.1Confident85.5Confident26 Ų2616.7 Ų16.714%0.1399%0.088CC..Iπ-helixtrans-72.7-29.5-174.7-70-41.5000114.7I1480 E1738 N1739 P1747 R1822I1480-N1742 HydrophobicContact CD1-CB 3.9Å; I1480-N1742 VanDerWaalsContact CD1-O 3.28Å; I1480-N1742 WeakPolarHBondContact CD1-O 3.34Å; E1738-N1742 PolarHBondContact O-N 3.3Å; E1738-N1742 PolarHBondContact O-ND2 3.45Å; N1739-N1742 PolarHBondContact O-N 3.22Å; N1742-P1747 VanDerWaalsContact O-CD 3.32Å; N1742-P1747 WeakPolarHBondContact O-CD 3.44Å; N1742-P1747 WeakPolarHBondContact O-CG 3.42Å; N1742-R1822 PolarHBondContact OD1-NH1 3.42Å
1743E85.9Confident85.3Confident39 Ų3916.7 Ų16.718%0.1829%0.088CC..Iπ-helixtrans-108.5-8.7-173.6-63.3-167.7-104.100114.6V1484 R1695 Q1699 N1739V1484-E1743 HydrophobicContact CG1-CB 4.5Å; R1695-E1743 IonicContact CZ-OE1 2.7Å; R1695-E1743 IonicContact CZ-OE2 2.67Å; R1695-E1743 IonicContact NE-OE1 3.53Å; R1695-E1743 PolarHBondContact NE-OE1 3.09Å; R1695-E1743 VanDerWaalsContact NE-OE1 3.11Å; R1695-E1743 IonicContact NE-OE2 3.01Å; R1695-E1743 PolarHBondContact NE-OE2 3.46Å; R1695-E1743 IonicContact NH2-OE1 3.49Å; R1695-E1743 IonicContact NH2-OE2 2.7Å; R1695-E1743 PolarHBondContact NH2-OE2 3.37Å; Q1699-E1743 WeakPolarHBondContact CG-O 3.4Å; Q1699-E1743 PolarHBondContact NE2-O 2.99Å; Q1699-E1743 VanDerWaalsContact NE2-O 3.11Å; N1739-E1743 VanDerWaalsContact O-CB 3.26Å; N1739-E1743 WeakPolarHBondContact O-CB 3.21Å; N1739-E1743 PolarHBondContact O-N 3.39Å
1744V87.5Confident84.8Confident0 Ų017 Ų170%09%0.087CC..Iπ-helixtrans-128.5-62.7178.3-170.40000112L1698 Q1699 A1702 L1720 C1740 L1748L1698-V1744 HydrophobicContact CB-CG1 4.13Å; L1698-V1744 HydrophobicContact CB-CG2 3.95Å; Q1699-V1744 HydrophobicContact CG-CG2 4.11Å; A1702-V1744 HydrophobicContact CB-CG1 3.74Å; L1720-V1744 HydrophobicContact CD1-CG1 4.27Å; C1740-V1744 WeakPolarHBondContact O-CB 3.22Å; C1740-V1744 PolarHBondContact O-N 3.03Å; C1740-V1744 VanDerWaalsContact O-N 3.17Å; V1744-L1748 WeakPolarHBondContact O-CB 3.37Å; V1744-L1748 PolarHBondContact O-N 3.37Å; V1744-L1748 VanDerWaalsContact O-N 3.12Å
1745L88.9Confident84.3Confident4 Ų417.6 Ų17.62%0.0219%0.09CC..Iπ-helixtrans-71.9-48.4-169.5-78.3167.1000113.6L1724 C1740 F1741 L1748 L1749 L1799 V1802L1724-L1745 HydrophobicContact CD1-CD1 4.29Å; L1724-L1745 HydrophobicContact CD1-CD2 3.7Å; L1724-L1745 HydrophobicContact CD1-CG 4.09Å; C1740-L1745 PolarHBondContact O-N 3.33Å; F1741-L1745 HydrophobicContact CD1-CB 4.35Å; F1741-L1745 HydrophobicContact CD1-CD1 3.76Å; F1741-L1745 HydrophobicContact CE1-CD1 3.69Å; F1741-L1745 HydrophobicContact CG-CD1 4.38Å; F1741-L1745 HydrophobicContact CZ-CD1 4.22Å; F1741-L1745 PolarHBondContact O-N 3.2Å; L1745-L1748 PolarHBondContact O-N 3.4Å; L1745-L1749 VanDerWaalsContact O-CG 3.31Å; L1745-L1749 WeakPolarHBondContact O-CG 3.31Å; L1745-L1749 PolarHBondContact O-N 2.78Å; L1745-L1799 HydrophobicContact CB-CD1 4.25Å; L1745-L1799 HydrophobicContact CD1-CD1 4.38Å; L1745-V1802 HydrophobicContact CD1-CB 4.4Å; L1745-V1802 HydrophobicContact CD1-CG1 4.16Å
1746F91Very high83.7Confident0 Ų012.9 Ų12.90%07%0.069CC..Hα-helixtrans-66.7-43.5178.7-65.8-41.4000112.7I1480 F1741 L1748 L1749 S1750 L1799 L1819 R1822 M1823 Y1826I1480-F1746 HydrophobicContact CB-CB 4.49Å; I1480-F1746 HydrophobicContact CD1-CB 4.01Å; I1480-F1746 HydrophobicContact CD1-CD2 4.11Å; I1480-F1746 HydrophobicContact CG1-CB 4.39Å; F1741-F1746 HydrophobicContact CB-CD2 4.08Å; F1741-F1746 HydrophobicContact CB-CE2 3.71Å; F1741-F1746 HydrophobicContact CB-CZ 4.24Å; F1741-F1746 HydrophobicContact CD1-CE2 4.46Å; F1741-F1746 HydrophobicContact CD1-CZ 4.15Å; F1741-F1746 HydrophobicContact CG-CE2 4.5Å; F1741-F1746 WeakPolarHBondContact O-CB 3.04Å; F1741-F1746 WeakPolarHBondContact O-CD2 3.43Å; F1741-F1746 WeakPolarHBondContact O-CG 3.41Å; F1741-F1746 PolarHBondContact O-N 3.27Å; F1746-L1748 VanDerWaalsContact C-N 3.31Å; F1746-L1748 PolarHBondContact O-N 3.49Å; F1746-L1749 HydrophobicContact CD1-CD1 4.17Å; F1746-L1749 PolarHBondContact O-N 2.69Å; F1746-S1750 PolarHBondContact O-N 2.92Å; F1746-S1750 PolarHBondContact O-OG 3.1Å; F1746-L1799 HydrophobicContact CD1-CD1 4.39Å; F1746-L1799 HydrophobicContact CE1-CD1 3.97Å; F1746-L1819 HydrophobicContact CE2-CD1 3.58Å; F1746-L1819 HydrophobicContact CZ-CD1 3.8Å; F1746-R1822 HydrophobicContact CD1-CG 4.3Å; F1746-R1822 HydrophobicContact CD2-CG 3.85Å; F1746-R1822 HydrophobicContact CE1-CG 4.08Å; F1746-R1822 HydrophobicContact CE2-CB 4.22Å; F1746-R1822 HydrophobicContact CE2-CG 3.58Å; F1746-R1822 HydrophobicContact CG-CG 4.21Å; F1746-R1822 HydrophobicContact CZ-CB 4.16Å; F1746-R1822 HydrophobicContact CZ-CG 3.72Å; F1746-M1823 HydrophobicContact CE1-CB 4.29Å; F1746-M1823 HydrophobicContact CZ-CB 4.29Å; F1746-Y1826 HydrophobicContact CB-CD2 4.38Å; F1746-Y1826 HydrophobicContact CB-CE2 3.56Å; F1746-Y1826 AromaticContact CD1-CD2 3.31Å; F1746-Y1826 HydrophobicContact CD1-CD2 3.31Å; F1746-Y1826 AromaticContact CD1-CE2 3.38Å; F1746-Y1826 HydrophobicContact CD1-CE2 3.38Å; F1746-Y1826 HydrophobicContact CD1-CG 4.12Å; F1746-Y1826 HydrophobicContact CD2-CE2 4.49Å; F1746-Y1826 AromaticContact CE1-CD2 3.77Å; F1746-Y1826 HydrophobicContact CE1-CD2 3.77Å; F1746-Y1826 HydrophobicContact CE1-CE2 4.2Å; F1746-Y1826 HydrophobicContact CG-CD2 4.01Å; F1746-Y1826 AromaticContact CG-CE2 3.58Å; F1746-Y1826 HydrophobicContact CG-CE2 3.58Å; F1746-Y1826 PolarHBondContact O-OH 3.02Å; F1746-Y1826 VanDerWaalsContact O-OH 3.1Å
1747P85.4Confident82.5Confident0 Ų014.6 Ų14.60%08%0.08CC..Hα-helixtrans-56.6-38.9169.9-29.938.3000114.2I1480 V1484 L1485 N1742 S1750 G1751I1480-P1747 HydrophobicContact CB-CG 4.5Å; I1480-P1747 HydrophobicContact CG2-CG 3.94Å; V1484-P1747 HydrophobicContact CB-CB 4.16Å; V1484-P1747 HydrophobicContact CB-CG 3.85Å; V1484-P1747 HydrophobicContact CG1-CG 3.89Å; L1485-P1747 HydrophobicContact CD1-CB 4.26Å; L1485-P1747 HydrophobicContact CD2-CB 3.87Å; L1485-P1747 HydrophobicContact CG-CB 3.63Å; N1742-P1747 VanDerWaalsContact O-CD 3.32Å; N1742-P1747 WeakPolarHBondContact O-CD 3.44Å; N1742-P1747 WeakPolarHBondContact O-CG 3.42Å; P1747-S1750 WeakPolarHBondContact O-CB 3.22Å; P1747-S1750 PolarHBondContact O-N 3.25Å; P1747-G1751 PolarHBondContact O-N 2.95Å
1748L86.1Confident81Confident5 Ų519.3 Ų19.33%0.02611%0.105CC..Hα-helixtrans-64.2-47.4175.2174.258.7000111.9L1485 A1702 C1705 L1720 V1744 L1745 F1746 S1750 G1751 F1752L1485-L1748 HydrophobicContact CD1-CB 4.16Å; A1702-L1748 HydrophobicContact CB-CB 4.35Å; A1702-L1748 HydrophobicContact CB-CD2 4.26Å; C1705-L1748 HydrophobicContact CB-CD1 3.66Å; C1705-L1748 HydrophobicContact CB-CD2 4.5Å; L1720-L1748 HydrophobicContact CD2-CD2 3.37Å; V1744-L1748 WeakPolarHBondContact O-CB 3.37Å; V1744-L1748 PolarHBondContact O-N 3.37Å; V1744-L1748 VanDerWaalsContact O-N 3.12Å; L1745-L1748 PolarHBondContact O-N 3.4Å; F1746-L1748 VanDerWaalsContact C-N 3.31Å; F1746-L1748 PolarHBondContact O-N 3.49Å; L1748-S1750 VanDerWaalsContact C-N 3.26Å; L1748-S1750 PolarHBondContact O-N 3.39Å; L1748-G1751 PolarHBondContact O-N 3.36Å; L1748-G1751 VanDerWaalsContact O-N 3.09Å; L1748-F1752 HydrophobicContact CD1-CD2 4.07Å; L1748-F1752 HydrophobicContact CD1-CE1 4.35Å; L1748-F1752 HydrophobicContact CD1-CE2 3.57Å; L1748-F1752 HydrophobicContact CD1-CZ 3.73Å; L1748-F1752 HydrophobicContact CD2-CE2 4.21Å; L1748-F1752 HydrophobicContact CG-CD2 4.12Å; L1748-F1752 HydrophobicContact CG-CE2 3.74Å; L1748-F1752 HydrophobicContact CG-CZ 4.38Å; L1748-F1752 PolarHBondContact O-N 3.05Å
1749L86.1Confident79.7Confident4 Ų420.7 Ų20.72%0.02111%0.111CC..Hα-helixtrans-60.3-36.7176.1-70.9163.7000111.7L1745 F1746 F1752 L1753 A1795 I1796 L1799 Y1826 Y1830L1745-L1749 VanDerWaalsContact O-CG 3.31Å; L1745-L1749 WeakPolarHBondContact O-CG 3.31Å; L1745-L1749 PolarHBondContact O-N 2.78Å; F1746-L1749 HydrophobicContact CD1-CD1 4.17Å; F1746-L1749 PolarHBondContact O-N 2.69Å; L1749-F1752 PolarHBondContact O-N 3.01Å; L1749-L1753 WeakPolarHBondContact O-CB 3.46Å; L1749-L1753 WeakPolarHBondContact O-CG 3.35Å; L1749-L1753 PolarHBondContact O-N 3.19Å; L1749-A1795 HydrophobicContact CD2-CB 3.76Å; L1749-I1796 HydrophobicContact CD2-CD1 3.83Å; L1749-I1796 HydrophobicContact CD2-CG1 4.45Å; L1749-L1799 HydrophobicContact CD1-CB 4.33Å; L1749-L1799 HydrophobicContact CD1-CD1 3.85Å; L1749-L1799 HydrophobicContact CD1-CD2 3.69Å; L1749-L1799 HydrophobicContact CD1-CG 4.16Å; L1749-Y1826 HydrophobicContact CB-CD1 3.61Å; L1749-Y1826 HydrophobicContact CB-CE1 3.73Å; L1749-Y1826 HydrophobicContact CB-CG 4.42Å; L1749-Y1826 HydrophobicContact CD1-CD1 4.36Å; L1749-Y1826 HydrophobicContact CD1-CG 4.38Å; L1749-Y1830 HydrophobicContact CB-CE2 4.13Å; L1749-Y1830 HydrophobicContact CD2-CE2 3.69Å; L1749-Y1830 WeakPolarHBondContact CD2-OH 3.27Å
1750S84.4Confident78.3Confident0 Ų021.4 Ų21.40%011%0.113CC..Hα-helixtrans-65.4-39.4172.1-63.90000113.2I1480 F1746 P1747 L1748 F1752 L1753 E1754 Y1826I1480-S1750 WeakPolarHBondContact O-CB 3.39Å; I1480-S1750 PolarHBondContact O-OG 2.78Å; F1746-S1750 PolarHBondContact O-N 2.92Å; F1746-S1750 PolarHBondContact O-OG 3.1Å; P1747-S1750 WeakPolarHBondContact O-CB 3.22Å; P1747-S1750 PolarHBondContact O-N 3.25Å; L1748-S1750 VanDerWaalsContact C-N 3.26Å; L1748-S1750 PolarHBondContact O-N 3.39Å; S1750-F1752 VanDerWaalsContact C-N 3.32Å; S1750-L1753 PolarHBondContact O-N 2.82Å; S1750-E1754 WeakPolarHBondContact O-CB 3.38Å; S1750-E1754 PolarHBondContact O-N 3.37Å; S1750-Y1826 WeakPolarHBondContact OG-CE1 3.38Å; S1750-Y1826 PolarHBondContact OG-OH 2.77Å
1751G76.8Confident76.7Confident14 Ų1424.2 Ų24.214%0.14413%0.13CC..Hα-helixtrans-66.6-36.6178.100000112.1P1747 L1748 S1755P1747-G1751 PolarHBondContact O-N 2.95Å; L1748-G1751 PolarHBondContact O-N 3.36Å; L1748-G1751 VanDerWaalsContact O-N 3.09Å; G1751-S1755 PolarHBondContact O-N 2.77Å
1752F83Confident74.7Confident0 Ų028.9 Ų28.90%016%0.155CC..Hα-helixtrans-67.7-43.7169.4-69.4-38.2000112.2C1705 L1748 L1749 S1750 E1754 S1755 I1756 F1788 P1791 A1795 Y1830C1705-F1752 HydrophobicContact CB-CZ 4.01Å; C1705-F1752 WeakPolarHBondContact O-CE1 3.44Å; L1748-F1752 HydrophobicContact CD1-CD2 4.07Å; L1748-F1752 HydrophobicContact CD1-CE1 4.35Å; L1748-F1752 HydrophobicContact CD1-CE2 3.57Å; L1748-F1752 HydrophobicContact CD1-CZ 3.73Å; L1748-F1752 HydrophobicContact CD2-CE2 4.21Å; L1748-F1752 HydrophobicContact CG-CD2 4.12Å; L1748-F1752 HydrophobicContact CG-CE2 3.74Å; L1748-F1752 HydrophobicContact CG-CZ 4.38Å; L1748-F1752 PolarHBondContact O-N 3.05Å; L1749-F1752 PolarHBondContact O-N 3.01Å; S1750-F1752 VanDerWaalsContact C-N 3.32Å; F1752-E1754 VanDerWaalsContact C-N 3.34Å; F1752-E1754 PolarHBondContact O-N 3.39Å; F1752-S1755 WeakPolarHBondContact O-CB 3.5Å; F1752-S1755 PolarHBondContact O-N 3.45Å; F1752-S1755 PolarHBondContact O-OG 3.11Å; F1752-I1756 WeakPolarHBondContact O-CG1 3.35Å; F1752-I1756 PolarHBondContact O-N 3.29Å; F1752-F1788 HydrophobicContact CD1-CD1 4.43Å; F1752-P1791 HydrophobicContact CE1-CB 3.74Å; F1752-P1791 HydrophobicContact CZ-CB 3.75Å; F1752-A1795 HydrophobicContact CD2-CB 3.83Å; F1752-A1795 HydrophobicContact CE2-CB 3.85Å; F1752-Y1830 WeakPolarHBondContact CB-OH 3.48Å
1753L78Confident73Confident10 Ų1032 Ų325%0.05218%0.175CC..Hα-helixtrans-59-42.6174.3-78.9165.6000112.4L1749 S1750 S1755 I1756 T1757 Y1826 Q1829 Y1830 A1833L1749-L1753 WeakPolarHBondContact O-CB 3.46Å; L1749-L1753 WeakPolarHBondContact O-CG 3.35Å; L1749-L1753 PolarHBondContact O-N 3.19Å; S1750-L1753 PolarHBondContact O-N 2.82Å; L1753-S1755 VanDerWaalsContact C-N 3.28Å; L1753-S1755 PolarHBondContact O-N 3.05Å; L1753-I1756 HydrophobicContact CD2-CD1 4.39Å; L1753-I1756 WeakPolarHBondContact O-CB 3.35Å; L1753-I1756 PolarHBondContact O-N 3.5Å; L1753-T1757 PolarHBondContact O-N 3.32Å; L1753-Y1826 HydrophobicContact CD1-CD1 3.8Å; L1753-Y1826 HydrophobicContact CD1-CE1 4Å; L1753-Q1829 HydrophobicContact CD1-CB 4Å; L1753-Q1829 HydrophobicContact CD2-CB 4.08Å; L1753-Y1830 HydrophobicContact CD1-CD2 4.01Å; L1753-Y1830 HydrophobicContact CD1-CE2 4.04Å; L1753-Y1830 HydrophobicContact CD2-CD2 3.64Å; L1753-Y1830 HydrophobicContact CD2-CE2 3.99Å; L1753-Y1830 HydrophobicContact CD2-CG 4.21Å; L1753-Y1830 HydrophobicContact CG-CD2 3.74Å; L1753-Y1830 HydrophobicContact CG-CE2 3.61Å; L1753-A1833 HydrophobicContact CD2-CB 4.31Å
1754E72.9Confident71.2Confident76 Ų7635 Ų3536%0.35520%0.196SC..Hα-helixtrans-57.6-42.2176.9-171.2170-154.200110.8P1482 S1750 F1752 I1756 T1757 L1758P1482-E1754 VanDerWaalsContact CG-OE2 3.27Å; P1482-E1754 WeakPolarHBondContact CG-OE2 3.41Å; S1750-E1754 WeakPolarHBondContact O-CB 3.38Å; S1750-E1754 PolarHBondContact O-N 3.37Å; F1752-E1754 VanDerWaalsContact C-N 3.34Å; F1752-E1754 PolarHBondContact O-N 3.39Å; E1754-I1756 VanDerWaalsContact C-N 3.31Å; E1754-I1756 PolarHBondContact O-N 3.15Å; E1754-T1757 PolarHBondContact O-N 2.95Å; E1754-T1757 PolarHBondContact O-OG1 2.89Å; E1754-L1758 PolarHBondContact O-N 3.06Å
1755S68.7Low69.1Low23 Ų2340.7 Ų40.716%0.16123%0.226CC..Hα-helixtrans-60.7-35.2174.178.40000113.6G1751 F1752 L1753 L1758 E1759G1751-S1755 PolarHBondContact O-N 2.77Å; F1752-S1755 WeakPolarHBondContact O-CB 3.5Å; F1752-S1755 PolarHBondContact O-N 3.45Å; F1752-S1755 PolarHBondContact O-OG 3.11Å; L1753-S1755 VanDerWaalsContact C-N 3.28Å; L1753-S1755 PolarHBondContact O-N 3.05Å; S1755-L1758 PolarHBondContact O-N 3.12Å; S1755-E1759 PolarHBondContact O-N 2.83Å
1756I68.9Low66.8Low4 Ų445.4 Ų45.42%0.02126%0.26CS..Hα-helixtrans-69.5-44.9175-51.7175.2000110.5F1752 L1753 E1754 L1758 E1759 E1760 R1792 A1833F1752-I1756 WeakPolarHBondContact O-CG1 3.35Å; F1752-I1756 PolarHBondContact O-N 3.29Å; L1753-I1756 HydrophobicContact CD2-CD1 4.39Å; L1753-I1756 WeakPolarHBondContact O-CB 3.35Å; L1753-I1756 PolarHBondContact O-N 3.5Å; E1754-I1756 VanDerWaalsContact C-N 3.31Å; E1754-I1756 PolarHBondContact O-N 3.15Å; I1756-L1758 PolarHBondContact O-N 3.09Å; I1756-E1759 WeakPolarHBondContact O-CB 3.4Å; I1756-E1759 PolarHBondContact O-N 3.09Å; I1756-E1760 PolarHBondContact O-N 3.34Å; I1756-E1760 VanDerWaalsContact O-N 3.08Å; I1756-R1792 HydrophobicContact CD1-CG 4.4Å; I1756-R1792 VanDerWaalsContact CG1-CD 3.5Å; I1756-A1833 HydrophobicContact CB-CB 4.24Å; I1756-A1833 HydrophobicContact CD1-CB 4.43Å; I1756-A1833 HydrophobicContact CG2-CB 3.76Å; I1756-A1833 WeakPolarHBondContact CG2-O 3.47Å
1757T61.6Low64.2Low40 Ų4056.3 Ų56.325%0.24530%0.301CS..Hα-helixtrans-63.8-29.1178.762.10000112.5L1753 E1754 V1761L1753-T1757 PolarHBondContact O-N 3.32Å; E1754-T1757 PolarHBondContact O-N 2.95Å; E1754-T1757 PolarHBondContact O-OG1 2.89Å; T1757-V1761 WeakPolarHBondContact O-CB 3.44Å; T1757-V1761 VanDerWaalsContact O-CG2 3.3Å; T1757-V1761 WeakPolarHBondContact O-CG2 3.46Å; T1757-V1761 PolarHBondContact O-N 2.89Å
1758L57.3Low61.5Low100 Ų10063.2 Ų63.252%0.52434%0.338SS..Hα-helixtrans-67.4-38.4172.5-144.184.1000111.8E1754 S1755 I1756 L1762E1754-L1758 PolarHBondContact O-N 3.06Å; S1755-L1758 PolarHBondContact O-N 3.12Å; I1756-L1758 PolarHBondContact O-N 3.09Å; L1758-L1762 HydrophobicContact CG-CD1 4.43Å; L1758-L1762 WeakPolarHBondContact O-CB 3.39Å; L1758-L1762 WeakPolarHBondContact O-CD1 3.37Å; L1758-L1762 VanDerWaalsContact O-CG 3.23Å; L1758-L1762 WeakPolarHBondContact O-CG 3.35Å; L1758-L1762 PolarHBondContact O-N 3.3Å
1759E58.8Low58.8Low44 Ų4468.5 Ų68.521%0.20638%0.375CS..Hα-helixtrans-64.5-43.5174.5-69.3169.2-16900112S1755 I1756 T1763 A1785 R1792S1755-E1759 PolarHBondContact O-N 2.83Å; I1756-E1759 WeakPolarHBondContact O-CB 3.4Å; I1756-E1759 PolarHBondContact O-N 3.09Å; E1759-T1763 WeakPolarHBondContact O-CB 3.23Å; E1759-T1763 WeakPolarHBondContact O-CG2 3.5Å; E1759-T1763 PolarHBondContact O-N 3.32Å; E1759-T1763 VanDerWaalsContact O-N 3.1Å; E1759-T1763 PolarHBondContact O-OG1 2.98Å; E1759-A1785 HydrophobicContact CG-CB 4.4Å; E1759-A1785 WeakPolarHBondContact OE1-CA 3.44Å; E1759-R1792 IonicContact OE1-CZ 2.71Å; E1759-R1792 IonicContact OE1-NH1 2.74Å; E1759-R1792 PolarHBondContact OE1-NH1 2.72Å; E1759-R1792 IonicContact OE1-NH2 3.7Å; E1759-R1792 PolarHBondContact OE1-NH2 3.41Å; E1759-R1792 IonicContact OE2-CZ 2.64Å; E1759-R1792 IonicContact OE2-NH1 3.56Å; E1759-R1792 PolarHBondContact OE2-NH1 3.17Å; E1759-R1792 IonicContact OE2-NH2 2.89Å; E1759-R1792 PolarHBondContact OE2-NH2 3.04Å
1760E55.6Low56.1Low60 Ų6076.9 Ų76.928%0.2841%0.414SS..Hα-helixtrans-69-43.7178-74.9-160.7138.800113I1756 L1762 T1763 T1764 S1835I1756-E1760 PolarHBondContact O-N 3.34Å; I1756-E1760 VanDerWaalsContact O-N 3.08Å; E1760-L1762 VanDerWaalsContact C-N 3.27Å; E1760-L1762 PolarHBondContact O-N 3.41Å; E1760-T1763 WeakPolarHBondContact CA-OG1 3.43Å; E1760-T1763 PolarHBondContact O-N 3.07Å; E1760-T1763 PolarHBondContact O-OG1 3.4Å; E1760-T1764 WeakPolarHBondContact O-CB 3.29Å; E1760-T1764 WeakPolarHBondContact O-CG2 3.47Å; E1760-T1764 PolarHBondContact O-N 3.03Å; E1760-T1764 PolarHBondContact O-OG1 3.42Å; E1760-S1835 WeakPolarHBondContact OE1-CB 3.27Å; E1760-S1835 PolarHBondContact OE1-OG 3.07Å
1761V55.1Low53.5Low58 Ų5884 Ų8435%0.35245%0.452SS..Hα-helixtrans-65.3-31.2179.2171.70000112T1757 T1764 N1765T1757-V1761 WeakPolarHBondContact O-CB 3.44Å; T1757-V1761 VanDerWaalsContact O-CG2 3.3Å; T1757-V1761 WeakPolarHBondContact O-CG2 3.46Å; T1757-V1761 PolarHBondContact O-N 2.89Å; V1761-T1764 PolarHBondContact O-OG1 3.12Å; V1761-N1765 PolarHBondContact O-ND2 3.3Å
1762L48.5Very low51.4Low99 Ų9991.1 Ų91.152%0.51849%0.485SS..Hα-helixtrans-79.2-31.1175.9-69.7172.1000113.2L1758 E1760L1758-L1762 HydrophobicContact CG-CD1 4.43Å; L1758-L1762 WeakPolarHBondContact O-CB 3.39Å; L1758-L1762 WeakPolarHBondContact O-CD1 3.37Å; L1758-L1762 VanDerWaalsContact O-CG 3.23Å; L1758-L1762 WeakPolarHBondContact O-CG 3.35Å; L1758-L1762 PolarHBondContact O-N 3.3Å; E1760-L1762 VanDerWaalsContact C-N 3.27Å; E1760-L1762 PolarHBondContact O-N 3.41Å
1763T52Low48.9Very low93 Ų9398.8 Ų98.857%0.57152%0.524SS*.Hα-helixtrans-80.8-35.217947.90000113.3E1759 E1760 N1765 S1766E1759-T1763 WeakPolarHBondContact O-CB 3.23Å; E1759-T1763 WeakPolarHBondContact O-CG2 3.5Å; E1759-T1763 PolarHBondContact O-N 3.32Å; E1759-T1763 VanDerWaalsContact O-N 3.1Å; E1759-T1763 PolarHBondContact O-OG1 2.98Å; E1760-T1763 WeakPolarHBondContact CA-OG1 3.43Å; E1760-T1763 PolarHBondContact O-N 3.07Å; E1760-T1763 PolarHBondContact O-OG1 3.4Å; T1763-N1765 VanDerWaalsContact C-N 3.35Å; T1763-N1765 PolarHBondContact O-N 3.32Å; T1763-S1766 PolarHBondContact O-N 3.23Å
1764T47.7Very low46.6Very low102 Ų102105 Ų10563%0.62656%0.557SS**Hα-helixtrans-66.3-31.2179.247.60000114E1760 V1761 S1766E1760-T1764 WeakPolarHBondContact O-CB 3.29Å; E1760-T1764 WeakPolarHBondContact O-CG2 3.47Å; E1760-T1764 PolarHBondContact O-N 3.03Å; E1760-T1764 PolarHBondContact O-OG1 3.42Å; V1761-T1764 PolarHBondContact O-OG1 3.12Å; T1764-S1766 VanDerWaalsContact C-N 3.27Å; T1764-S1766 PolarHBondContact O-N 3.45Å
1765N44.5Very low44.5Very low118 Ų118111.7 Ų111.763%0.63158%0.581SS**G310 helixtrans-75.1-7.9-178.9-78.4-54.7000114.6V1761 T1763 R1767V1761-N1765 PolarHBondContact O-ND2 3.3Å; T1763-N1765 VanDerWaalsContact C-N 3.35Å; T1763-N1765 PolarHBondContact O-N 3.32Å; N1765-R1767 PolarHBondContact O-N 3.17Å
1766S41.3Very low42.6Very low103 Ų103117 Ų11772%0.7261%0.608SS**G310 helixtrans-76.814.1-175.5-162.30000115.4T1763 T1764T1763-S1766 PolarHBondContact O-N 3.23Å; T1764-S1766 VanDerWaalsContact C-N 3.27Å; T1764-S1766 PolarHBondContact O-N 3.45Å
1767R34.8Very low40.8Very low230 Ų230121.8 Ų121.887%0.86864%0.637SS**G310 helixtrans-1294.4-170.7-89.2-176.6172158.90.4117.3N1765N1765-R1767 PolarHBondContact O-N 3.17Å
1768N29.6Very low39.3Very low144 Ų144122.5 Ų122.577%0.7765%0.653SS**SBendtrans-136.4151.1171.7-83-46.9000111.4
1769S29.7Very low38.1Very low116 Ų116129.1 Ų129.181%0.81167%0.672SS**  trans60110.7174.228.80000117.2
1770H28.8Very low37.1Very low180 Ų180130.3 Ų130.383%0.83369%0.69SS**  trans-58.8162.1135.8-89-102.6000109.3
1771D29.1Very low36.4Very low150 Ų150132.1 Ų132.180%0.80270%0.698SS**  trans86.670.6177.5-53.7-19.5000116.9
1772I33.5Very low35.5Very low163 Ų163137.3 Ų137.384%0.83672%0.718SS**  trans-147118.7135.1-93143000107.2
1773I30.1Very low35.2Very low161 Ų161137.7 Ų137.783%0.82672%0.72SS**  trans-12688.4169.2-58.8178.8000107.6
1774N29.5Very low34.9Very low140 Ų140137.5 Ų137.575%0.74971%0.713SS**  trans171.481.9152.6-94.1-25.1000110.6
1775Y30Very low34.9Very low218 Ų218134.8 Ų134.886%0.85570%0.701SS**  trans-161.5139.8146.4-94.7-64.3000108.9T1777Y1775-T1777 VanDerWaalsContact C-N 3.27Å; Y1775-T1777 PolarHBondContact O-N 3.17Å
1776N28.5Very low35.2Very low135 Ų135134.5 Ų134.572%0.72270%0.703SS**SBendtrans-81.764.3-172-104.21.7000112.7
1777T31.6Very low36Very low103 Ų103131.5 Ų131.563%0.63268%0.677SS**  trans-132.786.3173.853.40000109.3Y1775 H1781Y1775-T1777 VanDerWaalsContact C-N 3.27Å; Y1775-T1777 PolarHBondContact O-N 3.17Å; T1777-H1781 PolarHBondContact O-NE2 3.32Å
1778G28.6Very low37.6Very low56 Ų56121.1 Ų121.158%0.57764%0.639SS**SBendtrans-134.8-16-173.900000116.8
1779Y33.5Very low39.4Very low239 Ų239116.5 Ų116.594%0.93762%0.62SS**SBendtrans-130.2-2.8-172.6-76.3-82000116.1H1781Y1779-H1781 VanDerWaalsContact C-N 3.33Å
1780A37.6Very low41.4Very low69 Ų69113.6 Ų113.657%0.5760%0.595SS**SBendtrans-82-11.3172.900000113.7H1782A1780-H1782 VanDerWaalsContact C-N 3.31Å; A1780-H1782 PolarHBondContact O-N 3.47Å
1781H39.5Very low43.5Very low97 Ų97105.1 Ų105.145%0.44956%0.556SS.*THydrogen-bonded Turntrans-78-4.4-157.5-61.3-84.1000116.1T1777 Y1779T1777-H1781 PolarHBondContact O-NE2 3.32Å; Y1779-H1781 VanDerWaalsContact C-N 3.33Å
1782H36.7Very low45.7Very low167 Ų16798.6 Ų98.677%0.77352%0.521SS*.THydrogen-bonded Turntrans-116-7.2-177.6-120.1-57.6000114.9A1780A1780-H1782 VanDerWaalsContact C-N 3.31Å; A1780-H1782 PolarHBondContact O-N 3.47Å
1783L41.9Very low47.8Very low107 Ų10793.9 Ų93.956%0.5650%0.496SS*.THydrogen-bonded Turntrans-88.3-51.1-175.1-140.774.5000112.3A1785 V1786 E1787L1783-A1785 VanDerWaalsContact C-N 3.27Å; L1783-A1785 PolarHBondContact O-N 3.02Å; L1783-A1785 VanDerWaalsContact O-N 3.12Å; L1783-V1786 PolarHBondContact O-N 3.27Å; L1783-E1787 WeakPolarHBondContact CD2-OE1 3.42Å; L1783-E1787 WeakPolarHBondContact CG-OE1 3.49Å
1784H47.2Very low50.2Low90 Ų9090.4 Ų90.442%0.41747%0.472SS..Hα-helixtrans-51.4-40.7-175.9-98.7-92.9000114.2V1786 E1787 F1788H1784-V1786 VanDerWaalsContact C-N 3.3Å; H1784-V1786 PolarHBondContact O-N 3.09Å; H1784-E1787 PolarHBondContact O-N 3.35Å; H1784-F1788 AromaticContact ND1-CE2 3.61Å
1785A47.4Very low52.7Low45 Ų4584 Ų8437%0.37244%0.439SS..Hα-helixtrans-61.4-33.6-174.200000114E1759 L1783 R1792E1759-A1785 HydrophobicContact CG-CB 4.4Å; E1759-A1785 WeakPolarHBondContact OE1-CA 3.44Å; L1783-A1785 VanDerWaalsContact C-N 3.27Å; L1783-A1785 PolarHBondContact O-N 3.02Å; L1783-A1785 VanDerWaalsContact O-N 3.12Å; A1785-R1792 PolarHBondContact O-NH2 3Å
1786V51.1Low55.2Low112 Ų11273.7 Ų73.768%0.67940%0.398SS*.Hα-helixtrans-81.7-34.5-177.7-178.20000111.2L1783 H1784L1783-V1786 PolarHBondContact O-N 3.27Å; H1784-V1786 VanDerWaalsContact C-N 3.3Å; H1784-V1786 PolarHBondContact O-N 3.09Å
1787E57.9Low57.9Low40 Ų4069.5 Ų69.519%0.18738%0.379CS..Hα-helixtrans-86.8-14.1-167.8-53.3179-165.600115.5R1713 L1783 H1784R1713-E1787 PolarHBondContact NH2-O 2.83Å; R1713-E1787 IonicContact NH2-OE2 3.85Å; R1713-E1787 PolarHBondContact NH2-OE2 3.04Å; R1713-E1787 VanDerWaalsContact NH2-OE2 3.13Å; L1783-E1787 WeakPolarHBondContact CD2-OE1 3.42Å; L1783-E1787 WeakPolarHBondContact CG-OE1 3.49Å; H1784-E1787 PolarHBondContact O-N 3.35Å
1788F67.5Low60.4Low12 Ų1264.8 Ų64.85%0.05335%0.35CS..THydrogen-bonded Turntrans-91-3.7174.9-86.1-95.9000113.2R1713 F1752 H1784 R1792R1713-F1788 VanDerWaalsContact CD-CE1 3.46Å; R1713-F1788 VanDerWaalsContact CZ-CE2 3.49Å; F1752-F1788 HydrophobicContact CD1-CD1 4.43Å; H1784-F1788 AromaticContact ND1-CE2 3.61Å; F1788-R1792 VanDerWaalsContact C-NE 3.35Å; F1788-R1792 WeakPolarHBondContact O-CB 3.5Å; F1788-R1792 VanDerWaalsContact O-CG 3.25Å; F1788-R1792 WeakPolarHBondContact O-CG 3.27Å; F1788-R1792 PolarHBondContact O-N 3.21Å; F1788-R1792 PolarHBondContact O-NE 3.04Å
1789A67.6Low63.2Low46 Ų4662.2 Ų62.238%0.3832%0.322SS..Hα-helixtrans-63.1-45-177.800000113R1792 M1793A1789-R1792 PolarHBondContact O-N 3.36Å; A1789-M1793 VanDerWaalsContact O-CG 3.24Å; A1789-M1793 WeakPolarHBondContact O-CG 3.42Å; A1789-M1793 PolarHBondContact O-N 3.49Å
1790D71.5Confident65.7Low55 Ų5551.4 Ų51.429%0.29428%0.281SS..Hα-helixtrans-67.3-47.4-177.3-178.617.8000112.8R1792 M1793 R1794D1790-R1792 VanDerWaalsContact C-N 3.34Å; D1790-R1792 PolarHBondContact O-N 3.22Å; D1790-M1793 PolarHBondContact O-N 3.33Å; D1790-R1794 VanDerWaalsContact CG-NH2 3.27Å; D1790-R1794 WeakPolarHBondContact O-CG 3.45Å; D1790-R1794 PolarHBondContact O-N 2.89Å; D1790-R1794 IonicContact OD1-CZ 2.72Å; D1790-R1794 VanDerWaalsContact OD1-CZ 3.31Å; D1790-R1794 IonicContact OD1-NE 3.64Å; D1790-R1794 PolarHBondContact OD1-NE 3.15Å; D1790-R1794 IonicContact OD1-NH2 2.71Å; D1790-R1794 PolarHBondContact OD1-NH2 3.39Å; D1790-R1794 IonicContact OD2-CZ 3.16Å; D1790-R1794 IonicContact OD2-NE 2.7Å; D1790-R1794 IonicContact OD2-NH2 2.78Å; D1790-R1794 PolarHBondContact OD2-NH2 3.45Å
1791P73.4Confident68.1Low2 Ų253.3 Ų53.31%0.01328%0.277CS..Hα-helixtrans-55.4-43.6169.2-27.435000114R1713 L1717 F1752 M1793 R1794 A1795R1713-P1791 HydrophobicContact CB-CG 4.34Å; L1717-P1791 HydrophobicContact CD2-CB 4.13Å; F1752-P1791 HydrophobicContact CE1-CB 3.74Å; F1752-P1791 HydrophobicContact CZ-CB 3.75Å; P1791-M1793 PolarHBondContact O-N 2.91Å; P1791-R1794 PolarHBondContact O-N 3.42Å; P1791-A1795 PolarHBondContact O-N 3.28Å; P1791-A1795 VanDerWaalsContact O-N 3.11Å
1792R75.7Confident70.3Confident14 Ų1448.7 Ų48.75%0.05326%0.255CS..Hα-helixtrans-58.8-47.1177.2-76.8179.2-80.9-169.5-17.7111.9I1756 E1759 A1785 F1788 A1789 D1790 R1794 A1795 L1840I1756-R1792 HydrophobicContact CD1-CG 4.4Å; I1756-R1792 VanDerWaalsContact CG1-CD 3.5Å; E1759-R1792 IonicContact OE1-CZ 2.71Å; E1759-R1792 IonicContact OE1-NH1 2.74Å; E1759-R1792 PolarHBondContact OE1-NH1 2.72Å; E1759-R1792 IonicContact OE1-NH2 3.7Å; E1759-R1792 PolarHBondContact OE1-NH2 3.41Å; E1759-R1792 IonicContact OE2-CZ 2.64Å; E1759-R1792 IonicContact OE2-NH1 3.56Å; E1759-R1792 PolarHBondContact OE2-NH1 3.17Å; E1759-R1792 IonicContact OE2-NH2 2.89Å; E1759-R1792 PolarHBondContact OE2-NH2 3.04Å; A1785-R1792 PolarHBondContact O-NH2 3Å; F1788-R1792 VanDerWaalsContact C-NE 3.35Å; F1788-R1792 WeakPolarHBondContact O-CB 3.5Å; F1788-R1792 VanDerWaalsContact O-CG 3.25Å; F1788-R1792 WeakPolarHBondContact O-CG 3.27Å; F1788-R1792 PolarHBondContact O-N 3.21Å; F1788-R1792 PolarHBondContact O-NE 3.04Å; A1789-R1792 PolarHBondContact O-N 3.36Å; D1790-R1792 VanDerWaalsContact C-N 3.34Å; D1790-R1792 PolarHBondContact O-N 3.22Å; R1792-R1794 VanDerWaalsContact C-N 3.3Å; R1792-R1794 PolarHBondContact O-N 3.15Å; R1792-A1795 PolarHBondContact O-N 3.16Å; R1792-L1840 HydrophobicContact CB-CD1 4.46Å; R1792-L1840 HydrophobicContact CB-CD2 4Å; R1792-L1840 WeakPolarHBondContact O-CD1 3.46Å
1793M77.6Confident72.7Confident64 Ų6440.7 Ų40.732%0.31522%0.218SC..Hα-helixtrans-62.2-31.6178.8-71.3-70.3-63.200113.6A1789 D1790 P1791 P1797 S1839 L1840 A1843A1789-M1793 VanDerWaalsContact O-CG 3.24Å; A1789-M1793 WeakPolarHBondContact O-CG 3.42Å; A1789-M1793 PolarHBondContact O-N 3.49Å; D1790-M1793 PolarHBondContact O-N 3.33Å; P1791-M1793 PolarHBondContact O-N 2.91Å; M1793-P1797 VanDerWaalsContact O-CD 3.29Å; M1793-P1797 WeakPolarHBondContact O-CD 3.46Å; M1793-P1797 WeakPolarHBondContact O-CG 3.35Å; M1793-S1839 WeakPolarHBondContact CE-O 3.09Å; M1793-L1840 HydrophobicContact CG-CD1 4.45Å; M1793-L1840 VanDerWaalsContact SD-CA 3.58Å; M1793-L1840 HydrophobicContact SD-CB 3.92Å; M1793-L1840 HydrophobicContact SD-CD1 3.85Å; M1793-A1843 HydrophobicContact CE-CB 3.88Å; M1793-A1843 HydrophobicContact SD-CB 4.37Å
1794R80.8Confident74.8Confident88 Ų8837.9 Ų37.933%0.33220%0.204SC..Hα-helixtrans-87.3-24.6-179.1-63.5-175-154-172.19.1114.3L1717 D1790 P1791 R1792 L1798L1717-R1794 HydrophobicContact CD2-CB 3.93Å; D1790-R1794 VanDerWaalsContact CG-NH2 3.27Å; D1790-R1794 WeakPolarHBondContact O-CG 3.45Å; D1790-R1794 PolarHBondContact O-N 2.89Å; D1790-R1794 IonicContact OD1-CZ 2.72Å; D1790-R1794 VanDerWaalsContact OD1-CZ 3.31Å; D1790-R1794 IonicContact OD1-NE 3.64Å; D1790-R1794 PolarHBondContact OD1-NE 3.15Å; D1790-R1794 IonicContact OD1-NH2 2.71Å; D1790-R1794 PolarHBondContact OD1-NH2 3.39Å; D1790-R1794 IonicContact OD2-CZ 3.16Å; D1790-R1794 IonicContact OD2-NE 2.7Å; D1790-R1794 IonicContact OD2-NH2 2.78Å; D1790-R1794 PolarHBondContact OD2-NH2 3.45Å; P1791-R1794 PolarHBondContact O-N 3.42Å; R1792-R1794 VanDerWaalsContact C-N 3.3Å; R1792-R1794 PolarHBondContact O-N 3.15Å; R1794-L1798 WeakPolarHBondContact O-CB 3.27Å; R1794-L1798 PolarHBondContact O-N 3.35Å; R1794-L1798 VanDerWaalsContact O-N 3.09Å
1795A80.8Confident76.5Confident5 Ų537.4 Ų37.44%0.04120%0.201CC..Hα-helixtrans-66-42.1-17000000114L1749 F1752 P1791 R1792 L1798 L1799L1749-A1795 HydrophobicContact CD2-CB 3.76Å; F1752-A1795 HydrophobicContact CD2-CB 3.83Å; F1752-A1795 HydrophobicContact CE2-CB 3.85Å; P1791-A1795 PolarHBondContact O-N 3.28Å; P1791-A1795 VanDerWaalsContact O-N 3.11Å; R1792-A1795 PolarHBondContact O-N 3.16Å; A1795-L1798 WeakPolarHBondContact O-CB 3.31Å; A1795-L1798 PolarHBondContact O-N 3.14Å; A1795-L1799 PolarHBondContact O-N 3.07Å
1796I84.2Confident78.1Confident1 Ų135.7 Ų35.71%0.00519%0.186CC..Hα-helixtrans-72.5-43.8179.7-63.8-70000112.3L1749 L1798 L1799 T1800 M1827 Y1830 V1844L1749-I1796 HydrophobicContact CD2-CD1 3.83Å; L1749-I1796 HydrophobicContact CD2-CG1 4.45Å; I1796-L1798 PolarHBondContact O-N 3.3Å; I1796-L1799 HydrophobicContact CD1-CD2 4.37Å; I1796-L1799 WeakPolarHBondContact O-CB 3.47Å; I1796-L1799 PolarHBondContact O-N 2.9Å; I1796-T1800 PolarHBondContact O-N 3.38Å; I1796-T1800 PolarHBondContact O-OG1 2.87Å; I1796-M1827 HydrophobicContact CD1-CG 4.38Å; I1796-M1827 HydrophobicContact CG2-CE 4.29Å; I1796-M1827 HydrophobicContact CG2-CG 4.29Å; I1796-Y1830 HydrophobicContact CD1-CD1 4.29Å; I1796-Y1830 HydrophobicContact CD1-CD2 3.91Å; I1796-Y1830 HydrophobicContact CD1-CE2 4.15Å; I1796-Y1830 HydrophobicContact CD1-CG 3.98Å; I1796-Y1830 HydrophobicContact CG1-CD1 3.78Å; I1796-Y1830 HydrophobicContact CG1-CD2 4.31Å; I1796-Y1830 HydrophobicContact CG1-CE1 4Å; I1796-Y1830 HydrophobicContact CG1-CG 3.94Å; I1796-V1844 HydrophobicContact CB-CG2 4.35Å; I1796-V1844 HydrophobicContact CG1-CG2 4.11Å; I1796-V1844 HydrophobicContact CG2-CG2 4.16Å
1797P83.8Confident79.6Confident48 Ų4830.5 Ų30.531%0.31215%0.154SC..Hα-helixtrans-58.4-27.8168.5-28.135.5000114.8M1793 T1800 K1801M1793-P1797 VanDerWaalsContact O-CD 3.29Å; M1793-P1797 WeakPolarHBondContact O-CD 3.46Å; M1793-P1797 WeakPolarHBondContact O-CG 3.35Å; P1797-T1800 WeakPolarHBondContact CA-OG1 3.12Å; P1797-T1800 PolarHBondContact O-OG1 3.37Å; P1797-K1801 VanDerWaalsContact O-CB 3.26Å; P1797-K1801 WeakPolarHBondContact O-CB 3.39Å; P1797-K1801 PolarHBondContact O-N 3.09Å
1798L85.3Confident80.7Confident4 Ų435.3 Ų35.32%0.02117%0.171CC..Hα-helixtrans-72.1-46.5172.6-179.959.5000111.3L1717 Q1721 R1794 A1795 I1796 T1800 K1801 V1802L1717-L1798 HydrophobicContact CD1-CD2 4.1Å; Q1721-L1798 HydrophobicContact CB-CD1 3.99Å; Q1721-L1798 HydrophobicContact CB-CD2 4.36Å; Q1721-L1798 HydrophobicContact CG-CD1 3.81Å; R1794-L1798 WeakPolarHBondContact O-CB 3.27Å; R1794-L1798 PolarHBondContact O-N 3.35Å; R1794-L1798 VanDerWaalsContact O-N 3.09Å; A1795-L1798 WeakPolarHBondContact O-CB 3.31Å; A1795-L1798 PolarHBondContact O-N 3.14Å; I1796-L1798 PolarHBondContact O-N 3.3Å; L1798-T1800 PolarHBondContact O-N 3.37Å; L1798-K1801 PolarHBondContact O-N 2.9Å; L1798-V1802 HydrophobicContact CD1-CG2 4.04Å; L1798-V1802 WeakPolarHBondContact O-CG2 3.41Å; L1798-V1802 PolarHBondContact O-N 3.39Å
1799L86.1Confident81.3Confident1 Ų136.4 Ų36.41%0.00518%0.179CC..Hα-helixtrans-55.9-49.4176.6-178.873.3000111.7F1741 L1745 F1746 L1749 A1795 I1796 Y1803 M1823F1741-L1799 HydrophobicContact CD1-CD1 3.81Å; F1741-L1799 HydrophobicContact CE1-CD1 3.69Å; L1745-L1799 HydrophobicContact CB-CD1 4.25Å; L1745-L1799 HydrophobicContact CD1-CD1 4.38Å; F1746-L1799 HydrophobicContact CD1-CD1 4.39Å; F1746-L1799 HydrophobicContact CE1-CD1 3.97Å; L1749-L1799 HydrophobicContact CD1-CB 4.33Å; L1749-L1799 HydrophobicContact CD1-CD1 3.85Å; L1749-L1799 HydrophobicContact CD1-CD2 3.69Å; L1749-L1799 HydrophobicContact CD1-CG 4.16Å; A1795-L1799 PolarHBondContact O-N 3.07Å; I1796-L1799 HydrophobicContact CD1-CD2 4.37Å; I1796-L1799 WeakPolarHBondContact O-CB 3.47Å; I1796-L1799 PolarHBondContact O-N 2.9Å; L1799-Y1803 WeakPolarHBondContact O-CB 3.5Å; L1799-Y1803 PolarHBondContact O-N 2.74Å; L1799-Y1803 VanDerWaalsContact O-N 3.09Å; L1799-M1823 HydrophobicContact CD2-CE 4.48Å; L1799-M1823 HydrophobicContact CD2-CG 3.84Å; L1799-M1823 HydrophobicContact CD2-SD 4.44Å; L1799-M1823 HydrophobicContact CG-CE 4.32Å; L1799-M1823 HydrophobicContact CG-CG 4.36Å; L1799-M1823 HydrophobicContact CG-SD 4.33Å
1800T87.2Confident82Confident12 Ų1234.2 Ų34.27%0.07416%0.161CC..Hα-helixtrans-64.3-41179.154.60000112.5I1796 P1797 L1798 Y1803 L1804 M1823 M1827 V1851I1796-T1800 PolarHBondContact O-N 3.38Å; I1796-T1800 PolarHBondContact O-OG1 2.87Å; P1797-T1800 WeakPolarHBondContact CA-OG1 3.12Å; P1797-T1800 PolarHBondContact O-OG1 3.37Å; L1798-T1800 PolarHBondContact O-N 3.37Å; T1800-Y1803 PolarHBondContact O-N 3.46Å; T1800-L1804 WeakPolarHBondContact O-CG 3.27Å; T1800-L1804 PolarHBondContact O-N 3.15Å; T1800-M1823 HydrophobicContact CG2-CE 3.75Å; T1800-M1827 HydrophobicContact CG2-CE 3.41Å; T1800-M1827 VanDerWaalsContact CG2-CE 3.41Å; T1800-V1851 HydrophobicContact CG2-CG2 3.55Å
1801K87Confident82.5Confident109 Ų10935.8 Ų35.847%0.47416%0.163SC..Hα-helixtrans-66-43.7-179.6-172.7172.5-179.8177.80112.7L1725 P1797 L1798 Q1805L1725-K1801 HydrophobicContact CD1-CD 3.98Å; L1725-K1801 HydrophobicContact CD2-CD 4.21Å; L1725-K1801 HydrophobicContact CD2-CG 4.02Å; P1797-K1801 VanDerWaalsContact O-CB 3.26Å; P1797-K1801 WeakPolarHBondContact O-CB 3.39Å; P1797-K1801 PolarHBondContact O-N 3.09Å; L1798-K1801 PolarHBondContact O-N 2.9Å; K1801-Q1805 VanDerWaalsContact O-CB 3.31Å; K1801-Q1805 WeakPolarHBondContact O-CB 3.49Å; K1801-Q1805 PolarHBondContact O-N 3.19Å
1802V86.1Confident82.9Confident0 Ų042 Ų420%019%0.192CC..Hα-helixtrans-65.4-41.7176.7176.90000110.6L1724 L1725 W1737 F1741 L1745 L1798 Q1805 H1806L1724-V1802 HydrophobicContact CB-CG2 3.97Å; L1724-V1802 HydrophobicContact CD1-CG2 4.39Å; L1725-V1802 HydrophobicContact CD2-CG2 3.82Å; W1737-V1802 HydrophobicContact CE3-CG1 4.33Å; W1737-V1802 HydrophobicContact CH2-CG1 4.38Å; W1737-V1802 HydrophobicContact CZ3-CG1 3.71Å; F1741-V1802 HydrophobicContact CE2-CG1 4.4Å; F1741-V1802 HydrophobicContact CZ-CB 4.41Å; F1741-V1802 HydrophobicContact CZ-CG1 3.93Å; L1745-V1802 HydrophobicContact CD1-CB 4.4Å; L1745-V1802 HydrophobicContact CD1-CG1 4.16Å; L1798-V1802 HydrophobicContact CD1-CG2 4.04Å; L1798-V1802 WeakPolarHBondContact O-CG2 3.41Å; L1798-V1802 PolarHBondContact O-N 3.39Å; V1802-Q1805 PolarHBondContact O-N 2.82Å; V1802-H1806 PolarHBondContact O-CD2 2.75Å; V1802-H1806 PolarHBondContact O-N 2.7Å
1803Y87.3Confident83.1Confident0 Ų042.8 Ų42.80%020%0.197CC..Hα-helixtrans-61.8-45.4177.3-178.2-102.5000112.7F1741 L1799 T1800 L1807 L1810 F1816 L1819 W1820 M1823 V1851 M1855F1741-Y1803 HydrophobicContact CZ-CD2 4.23Å; L1799-Y1803 WeakPolarHBondContact O-CB 3.5Å; L1799-Y1803 PolarHBondContact O-N 2.74Å; L1799-Y1803 VanDerWaalsContact O-N 3.09Å; T1800-Y1803 PolarHBondContact O-N 3.46Å; Y1803-L1807 HydrophobicContact CD1-CD1 4.42Å; Y1803-L1807 HydrophobicContact CE1-CD1 3.87Å; Y1803-L1807 WeakPolarHBondContact O-CA 3.29Å; Y1803-L1807 PolarHBondContact O-N 2.79Å; Y1803-L1810 HydrophobicContact CD2-CD1 3.83Å; Y1803-L1810 HydrophobicContact CE2-CD1 4.22Å; Y1803-F1816 HydrophobicContact CE2-CE2 4.24Å; Y1803-F1816 AromaticContact CZ-CE2 3.94Å; Y1803-F1816 WeakPolarHBondContact OH-CE2 3.33Å; Y1803-F1816 WeakPolarHBondContact OH-CZ 3.22Å; Y1803-L1819 HydrophobicContact CE2-CD2 4.46Å; Y1803-W1820 HydrophobicContact CD1-CZ3 4.47Å; Y1803-W1820 AromaticContact CE1-CE3 3.73Å; Y1803-W1820 HydrophobicContact CE1-CE3 3.73Å; Y1803-W1820 AromaticContact CE1-CZ3 3.85Å; Y1803-W1820 HydrophobicContact CE1-CZ3 3.85Å; Y1803-W1820 AromaticContact CZ-CE3 3.67Å; Y1803-M1823 HydrophobicContact CD1-CE 3.91Å; Y1803-M1823 HydrophobicContact CD1-SD 3.88Å; Y1803-M1823 HydrophobicContact CD2-SD 3.8Å; Y1803-M1823 HydrophobicContact CE1-SD 4.29Å; Y1803-M1823 HydrophobicContact CE2-SD 4.23Å; Y1803-M1823 HydrophobicContact CG-CE 3.98Å; Y1803-M1823 HydrophobicContact CG-SD 3.6Å; Y1803-M1823 VanDerWaalsContact CG-SD 3.6Å; Y1803-V1851 HydrophobicContact CD1-CG1 4.28Å; Y1803-V1851 HydrophobicContact CE1-CG1 4.25Å; Y1803-M1855 HydrophobicContact CE1-SD 3.97Å
1804L85.6Confident83.2Confident48 Ų4848.1 Ų48.125%0.25123%0.227SC..Hα-helixtrans-68-38.2176.8-71.2179.6000112.8T1800 H1806 L1807 V1851 V1854T1800-L1804 WeakPolarHBondContact O-CG 3.27Å; T1800-L1804 PolarHBondContact O-N 3.15Å; L1804-H1806 VanDerWaalsContact C-N 3.28Å; L1804-H1806 PolarHBondContact O-N 3.28Å; L1804-L1807 HydrophobicContact CD2-CD2 4.23Å; L1804-L1807 WeakPolarHBondContact O-CB 3.46Å; L1804-L1807 PolarHBondContact O-N 3.09Å; L1804-V1851 HydrophobicContact CD1-CG2 3.98Å; L1804-V1851 HydrophobicContact CD2-CG1 4.17Å; L1804-V1851 HydrophobicContact CD2-CG2 4.4Å; L1804-V1851 HydrophobicContact CG-CG2 4.11Å; L1804-V1854 HydrophobicContact CD2-CB 4.14Å; L1804-V1854 HydrophobicContact CD2-CG1 3.82Å
1805Q83.4Confident83.3Confident79 Ų7946 Ų4637%0.36922%0.224SC..Hα-helixtrans-66.7-29.1-179.5-174.5167.3-22.300112.9L1725 H1730 K1801 V1802L1725-Q1805 VanDerWaalsContact CD2-OE1 3.3Å; H1730-Q1805 PolarHBondContact CE1-NE2 2.86Å; H1730-Q1805 PolarHBondContact NE2-NE2 3.32Å; K1801-Q1805 VanDerWaalsContact O-CB 3.31Å; K1801-Q1805 WeakPolarHBondContact O-CB 3.49Å; K1801-Q1805 PolarHBondContact O-N 3.19Å; V1802-Q1805 PolarHBondContact O-N 2.82Å
1806H80.7Confident83.5Confident9 Ų946 Ų464%0.04222%0.223CC..THydrogen-bonded Turntrans-114.622179.7-58.9-66.6000113.2H1730 W1737 V1802 L1804 R1808 P1809 L1810H1730-H1806 AromaticContact CD2-CE1 3.82Å; H1730-H1806 AromaticContact CE1-CE1 3.65Å; H1730-H1806 AromaticContact CG-CE1 3.91Å; H1730-H1806 AromaticContact ND1-CE1 3.79Å; H1730-H1806 AromaticContact NE2-CE1 3.66Å; W1737-H1806 HydrophobicContact CD2-CB 4.23Å; W1737-H1806 AromaticContact CE2-CD2 3.75Å; W1737-H1806 AromaticContact CE2-CE1 3.97Å; W1737-H1806 AromaticContact CE2-CG 3.57Å; W1737-H1806 AromaticContact CE2-ND1 3.72Å; W1737-H1806 HydrophobicContact CG-CB 4.4Å; W1737-H1806 AromaticContact CH2-CD2 3.53Å; W1737-H1806 AromaticContact CH2-NE2 3.55Å; W1737-H1806 AromaticContact CZ2-CD2 3.41Å; W1737-H1806 VanDerWaalsContact CZ2-CD2 3.41Å; W1737-H1806 WeakPolarHBondContact CZ2-CD2 3.28Å; W1737-H1806 AromaticContact CZ2-CE1 3.49Å; W1737-H1806 VanDerWaalsContact CZ2-CE1 3.49Å; W1737-H1806 WeakPolarHBondContact CZ2-CE1 3.49Å; W1737-H1806 AromaticContact CZ2-CG 3.69Å; W1737-H1806 AromaticContact CZ2-ND1 3.73Å; W1737-H1806 AromaticContact CZ2-NE2 3.3Å; W1737-H1806 VanDerWaalsContact CZ2-NE2 3.3Å; W1737-H1806 WeakPolarHBondContact CZ2-NE2 3.4Å; W1737-H1806 AromaticContact CZ3-CD2 3.97Å; W1737-H1806 AromaticContact NE1-CG 3.85Å; W1737-H1806 AromaticContact NE1-ND1 3.7Å; V1802-H1806 PolarHBondContact O-CD2 2.75Å; V1802-H1806 PolarHBondContact O-N 2.7Å; L1804-H1806 VanDerWaalsContact C-N 3.28Å; L1804-H1806 PolarHBondContact O-N 3.28Å; H1806-R1808 VanDerWaalsContact C-N 3.26Å; H1806-R1808 PolarHBondContact O-N 3.03Å; H1806-P1809 HydrophobicContact CB-CG 4.4Å; H1806-P1809 VanDerWaalsContact O-CD 3.22Å; H1806-P1809 WeakPolarHBondContact O-CD 3.26Å; H1806-P1809 WeakPolarHBondContact O-CG 3.45Å; H1806-L1810 HydrophobicContact CB-CD1 4.43Å; H1806-L1810 VanDerWaalsContact O-CG 3.26Å; H1806-L1810 WeakPolarHBondContact O-CG 3.48Å; H1806-L1810 PolarHBondContact O-N 2.63Å
1807L83Confident83.5Confident4 Ų447.9 Ų47.92%0.02123%0.233CC..Hα-helixtrans-57.5-34.6-174.3-175.559.6000113.6Y1803 L1804 Y1811 F1816 M1855 I1862 I1865Y1803-L1807 HydrophobicContact CD1-CD1 4.42Å; Y1803-L1807 HydrophobicContact CE1-CD1 3.87Å; Y1803-L1807 WeakPolarHBondContact O-CA 3.29Å; Y1803-L1807 PolarHBondContact O-N 2.79Å; L1804-L1807 HydrophobicContact CD2-CD2 4.23Å; L1804-L1807 WeakPolarHBondContact O-CB 3.46Å; L1804-L1807 PolarHBondContact O-N 3.09Å; L1807-Y1811 VanDerWaalsContact O-CB 3.29Å; L1807-Y1811 WeakPolarHBondContact O-CB 3.5Å; L1807-Y1811 PolarHBondContact O-N 2.94Å; L1807-F1816 HydrophobicContact CD1-CE2 3.98Å; L1807-F1816 HydrophobicContact CD1-CZ 4.08Å; L1807-M1855 HydrophobicContact CD2-CG 4.4Å; L1807-I1862 HydrophobicContact CB-CD1 3.86Å; L1807-I1862 HydrophobicContact CD2-CD1 4.21Å; L1807-I1862 HydrophobicContact CG-CD1 4.11Å; L1807-I1865 HydrophobicContact CD1-CD1 4.15Å; L1807-I1865 HydrophobicContact CD2-CD1 4.01Å; L1807-I1865 HydrophobicContact CG-CD1 3.92Å
1808R80.2Confident83.5Confident141 Ų14149.2 Ų49.253%0.53224%0.241SC..Hα-helixtrans-64.5-62.7179.5177.2172.3174172.7-2.8113.5H1806 L1810 Y1811 E1812 I1862H1806-R1808 VanDerWaalsContact C-N 3.26Å; H1806-R1808 PolarHBondContact O-N 3.03Å; R1808-L1810 PolarHBondContact O-N 2.76Å; R1808-L1810 VanDerWaalsContact O-N 3.17Å; R1808-Y1811 PolarHBondContact O-N 2.94Å; R1808-Y1811 VanDerWaalsContact O-N 3.08Å; R1808-E1812 IonicContact NE-OE1 3.67Å; R1808-E1812 PolarHBondContact O-N 3.11Å; R1808-I1862 HydrophobicContact CB-CD1 3.78Å; R1808-I1862 HydrophobicContact CB-CG1 4.1Å
1809P79.3Confident83.4Confident35 Ų3549.2 Ų49.223%0.22724%0.24CC..Hα-helixtrans-64.7-1817826.1-35.9000113.4G1734 H1806G1734-P1809 WeakPolarHBondContact CA-O 3.29Å; H1806-P1809 HydrophobicContact CB-CG 4.4Å; H1806-P1809 VanDerWaalsContact O-CD 3.22Å; H1806-P1809 WeakPolarHBondContact O-CD 3.26Å; H1806-P1809 WeakPolarHBondContact O-CG 3.45Å
1810L83.2Confident83.6Confident0 Ų049.2 Ų49.20%024%0.24CC..Hα-helixtrans-76.5-40170.5-69.3174000112.7W1737 F1741 Y1803 H1806 R1808 E1812 L1813 F1816 L1819W1737-L1810 HydrophobicContact CB-CD2 3.8Å; F1741-L1810 HydrophobicContact CD2-CD2 4.49Å; F1741-L1810 HydrophobicContact CE2-CD1 3.77Å; F1741-L1810 HydrophobicContact CE2-CD2 4.37Å; F1741-L1810 HydrophobicContact CZ-CD1 4.33Å; Y1803-L1810 HydrophobicContact CD2-CD1 3.83Å; Y1803-L1810 HydrophobicContact CE2-CD1 4.22Å; H1806-L1810 HydrophobicContact CB-CD1 4.43Å; H1806-L1810 VanDerWaalsContact O-CG 3.26Å; H1806-L1810 WeakPolarHBondContact O-CG 3.48Å; H1806-L1810 PolarHBondContact O-N 2.63Å; R1808-L1810 PolarHBondContact O-N 2.76Å; R1808-L1810 VanDerWaalsContact O-N 3.17Å; L1810-E1812 PolarHBondContact O-N 3.01Å; L1810-L1813 HydrophobicContact CD2-CD1 4.14Å; L1810-L1813 WeakPolarHBondContact O-CB 3.32Å; L1810-L1813 WeakPolarHBondContact O-CG 3.48Å; L1810-L1813 PolarHBondContact O-N 3.5Å; L1810-F1816 HydrophobicContact CB-CD2 4.26Å; L1810-F1816 HydrophobicContact CB-CE2 4.41Å; L1810-F1816 VanDerWaalsContact O-CD2 3.29Å; L1810-F1816 WeakPolarHBondContact O-CD2 3.47Å; L1810-L1819 HydrophobicContact CD1-CD2 4.37Å; L1810-L1819 HydrophobicContact CD2-CD2 3.7Å; L1810-L1819 HydrophobicContact CG-CD2 4.46Å
1811Y82.5Confident83.5Confident88 Ų8850.2 Ų50.235%0.34525%0.245SC..Hα-helixtrans-67.9-23.3178.6-176.7-111.8000113L1807 R1808 L1813 F1816 I1865L1807-Y1811 VanDerWaalsContact O-CB 3.29Å; L1807-Y1811 WeakPolarHBondContact O-CB 3.5Å; L1807-Y1811 PolarHBondContact O-N 2.94Å; R1808-Y1811 PolarHBondContact O-N 2.94Å; R1808-Y1811 VanDerWaalsContact O-N 3.08Å; Y1811-L1813 PolarHBondContact O-N 3.47Å; Y1811-F1816 AromaticContact CD2-CD1 3.85Å; Y1811-F1816 HydrophobicContact CD2-CD1 3.85Å; Y1811-F1816 HydrophobicContact CD2-CD2 4.49Å; Y1811-F1816 AromaticContact CD2-CE1 3.69Å; Y1811-F1816 HydrophobicContact CD2-CE1 3.69Å; Y1811-F1816 HydrophobicContact CD2-CE2 4.33Å; Y1811-F1816 HydrophobicContact CD2-CG 4.25Å; Y1811-F1816 AromaticContact CD2-CZ 3.93Å; Y1811-F1816 HydrophobicContact CD2-CZ 3.93Å; Y1811-F1816 HydrophobicContact CE2-CD1 4.39Å; Y1811-F1816 HydrophobicContact CE2-CE1 4.25Å; Y1811-I1865 HydrophobicContact CD1-CD1 4.47Å; Y1811-I1865 HydrophobicContact CD2-CD1 3.93Å; Y1811-I1865 HydrophobicContact CD2-CG1 4.31Å; Y1811-I1865 HydrophobicContact CD2-CG2 3.97Å; Y1811-I1865 HydrophobicContact CE2-CD1 4.42Å; Y1811-I1865 HydrophobicContact CE2-CG1 4.31Å; Y1811-I1865 HydrophobicContact CE2-CG2 3.68Å; Y1811-I1865 HydrophobicContact CG-CD1 3.95Å
1812E80.3Confident83.5Confident132 Ų13247.3 Ų47.362%0.61723%0.231SC*.THydrogen-bonded Turntrans-73.66.6173.6-67.1168-168.300113.4R1808 L1810R1808-E1812 IonicContact NE-OE1 3.67Å; R1808-E1812 PolarHBondContact O-N 3.11Å; L1810-E1812 PolarHBondContact O-N 3.01Å
1813L81.8Confident83.5Confident31 Ų3147.4 Ų47.416%0.16223%0.231CC..SBendtrans-103.5136.5179.6-60.6172.9000114E1738 L1810 Y1811 T1815 F1816E1738-L1813 HydrophobicContact CB-CD1 3.89Å; E1738-L1813 HydrophobicContact CG-CD1 4.47Å; L1810-L1813 HydrophobicContact CD2-CD1 4.14Å; L1810-L1813 WeakPolarHBondContact O-CB 3.32Å; L1810-L1813 WeakPolarHBondContact O-CG 3.48Å; L1810-L1813 PolarHBondContact O-N 3.5Å; Y1811-L1813 PolarHBondContact O-N 3.47Å; L1813-T1815 PolarHBondContact O-N 3Å; L1813-T1815 VanDerWaalsContact O-N 3.09Å; L1813-F1816 VanDerWaalsContact O-CB 3.27Å; L1813-F1816 WeakPolarHBondContact O-CB 3.44Å; L1813-F1816 PolarHBondContact O-N 3.41Å
1814D77.9Confident83.4Confident176 Ų17647.4 Ų47.494%0.94123%0.231SC*.THydrogen-bonded Turntrans-55.6-27.9169.4-57.4-47.5000113.3
1815T83.2Confident83.4Confident43 Ų4345.1 Ų45.126%0.26422%0.22SC..THydrogen-bonded Turntrans-91.52.8-178.652.80000114.3E1738 L1813 N1817 T1818 L1819E1738-T1815 VanDerWaalsContact OE1-CB 3.23Å; E1738-T1815 WeakPolarHBondContact OE1-CB 3.38Å; E1738-T1815 PolarHBondContact OE1-OG1 3.44Å; E1738-T1815 PolarHBondContact OE2-OG1 3.15Å; L1813-T1815 PolarHBondContact O-N 3Å; L1813-T1815 VanDerWaalsContact O-N 3.09Å; T1815-N1817 VanDerWaalsContact C-N 3.3Å; T1815-N1817 PolarHBondContact O-N 3.32Å; T1815-T1818 WeakPolarHBondContact O-CA 3.48Å; T1815-T1818 WeakPolarHBondContact O-CB 3.31Å; T1815-T1818 PolarHBondContact O-N 2.9Å; T1815-L1819 PolarHBondContact O-N 3.27Å
1816F85.3Confident83.5Confident6 Ų641.4 Ų41.43%0.02620%0.202CC..Hα-helixtrans-50.3-45.9-177.6178.1-103.4000113.3Y1803 L1807 L1810 Y1811 L1813 T1818 L1819 W1820 M1855 I1865 L1879Y1803-F1816 HydrophobicContact CE2-CE2 4.24Å; Y1803-F1816 AromaticContact CZ-CE2 3.94Å; Y1803-F1816 WeakPolarHBondContact OH-CE2 3.33Å; Y1803-F1816 WeakPolarHBondContact OH-CZ 3.22Å; L1807-F1816 HydrophobicContact CD1-CE2 3.98Å; L1807-F1816 HydrophobicContact CD1-CZ 4.08Å; L1810-F1816 HydrophobicContact CB-CD2 4.26Å; L1810-F1816 HydrophobicContact CB-CE2 4.41Å; L1810-F1816 VanDerWaalsContact O-CD2 3.29Å; L1810-F1816 WeakPolarHBondContact O-CD2 3.47Å; Y1811-F1816 AromaticContact CD2-CD1 3.85Å; Y1811-F1816 HydrophobicContact CD2-CD1 3.85Å; Y1811-F1816 HydrophobicContact CD2-CD2 4.49Å; Y1811-F1816 AromaticContact CD2-CE1 3.69Å; Y1811-F1816 HydrophobicContact CD2-CE1 3.69Å; Y1811-F1816 HydrophobicContact CD2-CE2 4.33Å; Y1811-F1816 HydrophobicContact CD2-CG 4.25Å; Y1811-F1816 AromaticContact CD2-CZ 3.93Å; Y1811-F1816 HydrophobicContact CD2-CZ 3.93Å; Y1811-F1816 HydrophobicContact CE2-CD1 4.39Å; Y1811-F1816 HydrophobicContact CE2-CE1 4.25Å; L1813-F1816 VanDerWaalsContact O-CB 3.27Å; L1813-F1816 WeakPolarHBondContact O-CB 3.44Å; L1813-F1816 PolarHBondContact O-N 3.41Å; F1816-T1818 VanDerWaalsContact C-N 3.3Å; F1816-T1818 PolarHBondContact O-N 2.63Å; F1816-L1819 WeakPolarHBondContact O-CB 3.46Å; F1816-L1819 PolarHBondContact O-N 3.21Å; F1816-W1820 WeakPolarHBondContact O-CB 3.4Å; F1816-W1820 PolarHBondContact O-N 3.28Å; F1816-M1855 HydrophobicContact CZ-CE 4.19Å; F1816-I1865 HydrophobicContact CE1-CG2 4.24Å; F1816-I1865 HydrophobicContact CZ-CG2 4.46Å; F1816-L1879 HydrophobicContact CD1-CD1 4.37Å; F1816-L1879 HydrophobicContact CE1-CD1 3.99Å; F1816-L1879 HydrophobicContact CE1-CD2 3.96Å
1817N83.7Confident83.7Confident40 Ų4041 Ų4121%0.21420%0.2CC..Hα-helixtrans-61.4-37.4178.4-67.1-14.2000112.4T1815 I1821 L1879 L1882T1815-N1817 VanDerWaalsContact C-N 3.3Å; T1815-N1817 PolarHBondContact O-N 3.32Å; N1817-I1821 WeakPolarHBondContact O-CB 3.31Å; N1817-I1821 VanDerWaalsContact O-CG1 3.31Å; N1817-I1821 WeakPolarHBondContact O-CG1 3.33Å; N1817-I1821 PolarHBondContact O-N 3.02Å; N1817-L1879 WeakPolarHBondContact OD1-CD1 3.44Å; N1817-L1882 HydrophobicContact CB-CD1 4.26Å
1818T84.6Confident83.8Confident76 Ų7642.2 Ų42.247%0.46621%0.206SC..Hα-helixtrans-70.7-39.7177.3-51.60000111.4T1815 F1816 R1822T1815-T1818 WeakPolarHBondContact O-CA 3.48Å; T1815-T1818 WeakPolarHBondContact O-CB 3.31Å; T1815-T1818 PolarHBondContact O-N 2.9Å; F1816-T1818 VanDerWaalsContact C-N 3.3Å; F1816-T1818 PolarHBondContact O-N 2.63Å; T1818-R1822 WeakPolarHBondContact O-CB 3.13Å; T1818-R1822 PolarHBondContact O-N 3.35Å
1819L84.1Confident83.8Confident3 Ų338.1 Ų38.12%0.01619%0.193CC..Hα-helixtrans-63-45175.4178.961.8000111.3F1741 F1746 Y1803 L1810 T1815 F1816 R1822 M1823F1741-L1819 HydrophobicContact CB-CD1 3.71Å; F1741-L1819 HydrophobicContact CD1-CD1 4.47Å; F1741-L1819 HydrophobicContact CD2-CD1 4.36Å; F1741-L1819 HydrophobicContact CD2-CD2 4.34Å; F1741-L1819 HydrophobicContact CG-CD1 3.94Å; F1746-L1819 HydrophobicContact CE2-CD1 3.58Å; F1746-L1819 HydrophobicContact CZ-CD1 3.8Å; Y1803-L1819 HydrophobicContact CE2-CD2 4.46Å; L1810-L1819 HydrophobicContact CD1-CD2 4.37Å; L1810-L1819 HydrophobicContact CD2-CD2 3.7Å; L1810-L1819 HydrophobicContact CG-CD2 4.46Å; T1815-L1819 PolarHBondContact O-N 3.27Å; F1816-L1819 WeakPolarHBondContact O-CB 3.46Å; F1816-L1819 PolarHBondContact O-N 3.21Å; L1819-R1822 PolarHBondContact O-N 3.41Å; L1819-M1823 WeakPolarHBondContact O-CB 3.38Å; L1819-M1823 PolarHBondContact O-N 3.49Å
1820W88.9Confident83.8Confident1 Ų136.5 Ų36.50%0.00418%0.182CC..Hα-helixtrans-63.9-46176.5177.8-122000112.7Y1803 F1816 R1822 M1823 L1824 L1848 V1851 L1852 M1855 L1879 T1883Y1803-W1820 HydrophobicContact CD1-CZ3 4.47Å; Y1803-W1820 AromaticContact CE1-CE3 3.73Å; Y1803-W1820 HydrophobicContact CE1-CE3 3.73Å; Y1803-W1820 AromaticContact CE1-CZ3 3.85Å; Y1803-W1820 HydrophobicContact CE1-CZ3 3.85Å; Y1803-W1820 AromaticContact CZ-CE3 3.67Å; F1816-W1820 WeakPolarHBondContact O-CB 3.4Å; F1816-W1820 PolarHBondContact O-N 3.28Å; W1820-R1822 VanDerWaalsContact C-N 3.34Å; W1820-R1822 PolarHBondContact O-N 3.33Å; W1820-M1823 HydrophobicContact CE3-CB 4.47Å; W1820-M1823 HydrophobicContact CE3-CG 4.35Å; W1820-M1823 HydrophobicContact CE3-SD 4.08Å; W1820-M1823 HydrophobicContact CZ3-CE 4.03Å; W1820-M1823 HydrophobicContact CZ3-CG 4.3Å; W1820-M1823 HydrophobicContact CZ3-SD 3.99Å; W1820-M1823 WeakPolarHBondContact O-CB 3.15Å; W1820-M1823 PolarHBondContact O-N 2.82Å; W1820-M1823 VanDerWaalsContact O-N 3.15Å; W1820-L1824 HydrophobicContact CD2-CD1 4.49Å; W1820-L1824 HydrophobicContact CD2-CG 4.33Å; W1820-L1824 HydrophobicContact CH2-CD2 3.95Å; W1820-L1824 HydrophobicContact CH2-CG 4.44Å; W1820-L1824 HydrophobicContact CZ2-CD1 4.11Å; W1820-L1824 HydrophobicContact CZ2-CD2 3.78Å; W1820-L1824 HydrophobicContact CZ2-CG 4.04Å; W1820-L1824 PolarHBondContact O-N 2.99Å; W1820-L1848 HydrophobicContact CH2-CD1 4.44Å; W1820-V1851 HydrophobicContact CH2-CB 4.48Å; W1820-V1851 HydrophobicContact CH2-CG1 3.59Å; W1820-V1851 HydrophobicContact CZ3-CG1 3.65Å; W1820-L1852 HydrophobicContact CH2-CD2 4.42Å; W1820-L1852 HydrophobicContact CZ2-CD2 3.89Å; W1820-M1855 HydrophobicContact CD2-CE 4.4Å; W1820-M1855 HydrophobicContact CE3-SD 4.37Å; W1820-M1855 HydrophobicContact CH2-SD 3.96Å; W1820-M1855 HydrophobicContact CZ2-SD 4.12Å; W1820-M1855 HydrophobicContact CZ3-SD 4.09Å; W1820-L1879 HydrophobicContact CB-CD1 4.46Å; W1820-L1879 VanDerWaalsContact CD1-CD1 3.45Å; W1820-L1879 HydrophobicContact CG-CD1 4.13Å; W1820-T1883 HydrophobicContact CZ2-CG2 4.3Å; W1820-T1883 PolarHBondContact NE1-OG1 2.86Å
1821I86.2Confident83.5Confident33 Ų3337.7 Ų37.717%0.16919%0.188CC..Hα-helixtrans-59-43.7174.3-77.8167.7000111.6L1478 N1817 M1823 L1824 A1825 L1882L1478-I1821 HydrophobicContact CD1-CG2 3.66Å; L1478-I1821 HydrophobicContact CD2-CG2 4.09Å; N1817-I1821 WeakPolarHBondContact O-CB 3.31Å; N1817-I1821 VanDerWaalsContact O-CG1 3.31Å; N1817-I1821 WeakPolarHBondContact O-CG1 3.33Å; N1817-I1821 PolarHBondContact O-N 3.02Å; I1821-M1823 VanDerWaalsContact C-N 3.32Å; I1821-M1823 PolarHBondContact O-N 3.35Å; I1821-L1824 PolarHBondContact O-N 3Å; I1821-A1825 WeakPolarHBondContact O-CB 3.22Å; I1821-A1825 PolarHBondContact O-N 3.21Å; I1821-L1882 HydrophobicContact CD1-CB 4.22Å; I1821-L1882 HydrophobicContact CD1-CD1 4.07Å; I1821-L1882 HydrophobicContact CD1-CD2 4.04Å; I1821-L1882 HydrophobicContact CD1-CG 4.33Å
1822R85.8Confident83.2Confident49 Ų4938.4 Ų38.419%0.18520%0.197CC..Hα-helixtrans-60.8-42.8175.8179.2171-81.3152.2-0.7111L1478 N1742 F1746 T1818 L1819 W1820 A1825 Y1826L1478-R1822 PolarHBondContact O-NE 2.94Å; N1742-R1822 PolarHBondContact OD1-NH1 3.42Å; F1746-R1822 HydrophobicContact CD1-CG 4.3Å; F1746-R1822 HydrophobicContact CD2-CG 3.85Å; F1746-R1822 HydrophobicContact CE1-CG 4.08Å; F1746-R1822 HydrophobicContact CE2-CB 4.22Å; F1746-R1822 HydrophobicContact CE2-CG 3.58Å; F1746-R1822 HydrophobicContact CG-CG 4.21Å; F1746-R1822 HydrophobicContact CZ-CB 4.16Å; F1746-R1822 HydrophobicContact CZ-CG 3.72Å; T1818-R1822 WeakPolarHBondContact O-CB 3.13Å; T1818-R1822 PolarHBondContact O-N 3.35Å; L1819-R1822 PolarHBondContact O-N 3.41Å; W1820-R1822 VanDerWaalsContact C-N 3.34Å; W1820-R1822 PolarHBondContact O-N 3.33Å; R1822-A1825 PolarHBondContact O-N 3.14Å; R1822-Y1826 HydrophobicContact CG-CD2 4.03Å; R1822-Y1826 HydrophobicContact CG-CE2 3.89Å; R1822-Y1826 VanDerWaalsContact O-CD2 3.27Å; R1822-Y1826 WeakPolarHBondContact O-CD2 3.47Å; R1822-Y1826 PolarHBondContact O-N 2.85Å
1823M85.9Confident82.6Confident1 Ų132.7 Ų32.71%0.00517%0.173CC..Hα-helixtrans-61.9-42.6175.6174.6165.8172.400113.1F1746 L1799 T1800 Y1803 L1819 W1820 I1821 Y1826 M1827 V1851F1746-M1823 HydrophobicContact CE1-CB 4.29Å; F1746-M1823 HydrophobicContact CZ-CB 4.29Å; L1799-M1823 HydrophobicContact CD2-CE 4.48Å; L1799-M1823 HydrophobicContact CD2-CG 3.84Å; L1799-M1823 HydrophobicContact CD2-SD 4.44Å; L1799-M1823 HydrophobicContact CG-CE 4.32Å; L1799-M1823 HydrophobicContact CG-CG 4.36Å; L1799-M1823 HydrophobicContact CG-SD 4.33Å; T1800-M1823 HydrophobicContact CG2-CE 3.75Å; Y1803-M1823 HydrophobicContact CD1-CE 3.91Å; Y1803-M1823 HydrophobicContact CD1-SD 3.88Å; Y1803-M1823 HydrophobicContact CD2-SD 3.8Å; Y1803-M1823 HydrophobicContact CE1-SD 4.29Å; Y1803-M1823 HydrophobicContact CE2-SD 4.23Å; Y1803-M1823 HydrophobicContact CG-CE 3.98Å; Y1803-M1823 HydrophobicContact CG-SD 3.6Å; Y1803-M1823 VanDerWaalsContact CG-SD 3.6Å; L1819-M1823 WeakPolarHBondContact O-CB 3.38Å; L1819-M1823 PolarHBondContact O-N 3.49Å; W1820-M1823 HydrophobicContact CE3-CB 4.47Å; W1820-M1823 HydrophobicContact CE3-CG 4.35Å; W1820-M1823 HydrophobicContact CE3-SD 4.08Å; W1820-M1823 HydrophobicContact CZ3-CE 4.03Å; W1820-M1823 HydrophobicContact CZ3-CG 4.3Å; W1820-M1823 HydrophobicContact CZ3-SD 3.99Å; W1820-M1823 WeakPolarHBondContact O-CB 3.15Å; W1820-M1823 PolarHBondContact O-N 2.82Å; W1820-M1823 VanDerWaalsContact O-N 3.15Å; I1821-M1823 VanDerWaalsContact C-N 3.32Å; I1821-M1823 PolarHBondContact O-N 3.35Å; M1823-Y1826 PolarHBondContact O-N 2.85Å; M1823-M1827 HydrophobicContact CE-CE 3.59Å; M1823-M1827 HydrophobicContact CG-CE 4.07Å; M1823-M1827 PolarHBondContact O-N 2.87Å; M1823-V1851 HydrophobicContact CE-CG2 4.43Å
1824L86.4Confident81.7Confident0 Ų031.5 Ų31.50%017%0.167CC..Hα-helixtrans-63.5-42.8173.1-70.4178.5000112.1W1820 I1821 Y1826 M1827 E1828 L1848 T1883 H1886 L1887W1820-L1824 HydrophobicContact CD2-CD1 4.49Å; W1820-L1824 HydrophobicContact CD2-CG 4.33Å; W1820-L1824 HydrophobicContact CH2-CD2 3.95Å; W1820-L1824 HydrophobicContact CH2-CG 4.44Å; W1820-L1824 HydrophobicContact CZ2-CD1 4.11Å; W1820-L1824 HydrophobicContact CZ2-CD2 3.78Å; W1820-L1824 HydrophobicContact CZ2-CG 4.04Å; W1820-L1824 PolarHBondContact O-N 2.99Å; I1821-L1824 PolarHBondContact O-N 3Å; L1824-Y1826 VanDerWaalsContact C-N 3.31Å; L1824-Y1826 PolarHBondContact O-N 3.38Å; L1824-M1827 WeakPolarHBondContact O-CB 3.14Å; L1824-M1827 PolarHBondContact O-N 2.96Å; L1824-M1827 VanDerWaalsContact O-N 3.09Å; L1824-E1828 PolarHBondContact O-N 3.47Å; L1824-L1848 HydrophobicContact CD2-CD1 3.64Å; L1824-T1883 HydrophobicContact CD1-CG2 4.43Å; L1824-H1886 HydrophobicContact CD1-CB 4.16Å; L1824-L1887 HydrophobicContact CD2-CD2 4.17Å
1825A85.2Confident80.8Confident1 Ų127 Ų271%0.00815%0.15CC..Hα-helixtrans-62-36.517700000112.4L1478 I1821 R1822 E1828 Q1829L1478-A1825 HydrophobicContact CB-CB 4.17Å; L1478-A1825 HydrophobicContact CD1-CB 3.77Å; I1821-A1825 WeakPolarHBondContact O-CB 3.22Å; I1821-A1825 PolarHBondContact O-N 3.21Å; R1822-A1825 PolarHBondContact O-N 3.14Å; A1825-E1828 PolarHBondContact O-N 3.34Å; A1825-Q1829 VanDerWaalsContact O-CG 3.27Å; A1825-Q1829 WeakPolarHBondContact O-CG 3.39Å; A1825-Q1829 PolarHBondContact O-N 3.37Å
1826Y84.6Confident79.7Confident0 Ų031.8 Ų31.80%017%0.173CC..Hα-helixtrans-64.7-39.1172-88.4-78.3000112.6L1479 I1480 F1746 L1749 S1750 L1753 R1822 M1823 L1824 Q1829 Y1830L1479-Y1826 HydrophobicContact CD2-CD1 4Å; L1479-Y1826 HydrophobicContact CD2-CD2 4.21Å; L1479-Y1826 HydrophobicContact CD2-CE1 3.75Å; L1479-Y1826 HydrophobicContact CD2-CE2 3.94Å; L1479-Y1826 HydrophobicContact CD2-CG 4.22Å; I1480-Y1826 PolarHBondContact N-OH 3.23Å; I1480-Y1826 PolarHBondContact O-OH 3.2Å; F1746-Y1826 HydrophobicContact CB-CD2 4.38Å; F1746-Y1826 HydrophobicContact CB-CE2 3.56Å; F1746-Y1826 AromaticContact CD1-CD2 3.31Å; F1746-Y1826 HydrophobicContact CD1-CD2 3.31Å; F1746-Y1826 AromaticContact CD1-CE2 3.38Å; F1746-Y1826 HydrophobicContact CD1-CE2 3.38Å; F1746-Y1826 HydrophobicContact CD1-CG 4.12Å; F1746-Y1826 HydrophobicContact CD2-CE2 4.49Å; F1746-Y1826 AromaticContact CE1-CD2 3.77Å; F1746-Y1826 HydrophobicContact CE1-CD2 3.77Å; F1746-Y1826 HydrophobicContact CE1-CE2 4.2Å; F1746-Y1826 HydrophobicContact CG-CD2 4.01Å; F1746-Y1826 AromaticContact CG-CE2 3.58Å; F1746-Y1826 HydrophobicContact CG-CE2 3.58Å; F1746-Y1826 PolarHBondContact O-OH 3.02Å; F1746-Y1826 VanDerWaalsContact O-OH 3.1Å; L1749-Y1826 HydrophobicContact CB-CD1 3.61Å; L1749-Y1826 HydrophobicContact CB-CE1 3.73Å; L1749-Y1826 HydrophobicContact CB-CG 4.42Å; L1749-Y1826 HydrophobicContact CD1-CD1 4.36Å; L1749-Y1826 HydrophobicContact CD1-CG 4.38Å; S1750-Y1826 WeakPolarHBondContact OG-CE1 3.38Å; S1750-Y1826 PolarHBondContact OG-OH 2.77Å; L1753-Y1826 HydrophobicContact CD1-CD1 3.8Å; L1753-Y1826 HydrophobicContact CD1-CE1 4Å; R1822-Y1826 HydrophobicContact CG-CD2 4.03Å; R1822-Y1826 HydrophobicContact CG-CE2 3.89Å; R1822-Y1826 VanDerWaalsContact O-CD2 3.27Å; R1822-Y1826 WeakPolarHBondContact O-CD2 3.47Å; R1822-Y1826 PolarHBondContact O-N 2.85Å; M1823-Y1826 PolarHBondContact O-N 2.85Å; L1824-Y1826 VanDerWaalsContact C-N 3.31Å; L1824-Y1826 PolarHBondContact O-N 3.38Å; Y1826-Q1829 PolarHBondContact O-N 2.74Å; Y1826-Y1830 WeakPolarHBondContact O-CB 3.44Å; Y1826-Y1830 WeakPolarHBondContact O-CD2 3.2Å; Y1826-Y1830 PolarHBondContact O-N 2.74Å
1827M84.9Confident78.8Confident0 Ų033.5 Ų33.50%019%0.186CC..Hα-helixtrans-66.1-42.3175.2-68.3-174.7-168.400112.3I1796 T1800 M1823 L1824 Y1830 M1831 V1844 L1848I1796-M1827 HydrophobicContact CD1-CG 4.38Å; I1796-M1827 HydrophobicContact CG2-CE 4.29Å; I1796-M1827 HydrophobicContact CG2-CG 4.29Å; T1800-M1827 HydrophobicContact CG2-CE 3.41Å; T1800-M1827 VanDerWaalsContact CG2-CE 3.41Å; M1823-M1827 HydrophobicContact CE-CE 3.59Å; M1823-M1827 HydrophobicContact CG-CE 4.07Å; M1823-M1827 PolarHBondContact O-N 2.87Å; L1824-M1827 WeakPolarHBondContact O-CB 3.14Å; L1824-M1827 PolarHBondContact O-N 2.96Å; L1824-M1827 VanDerWaalsContact O-N 3.09Å; M1827-Y1830 PolarHBondContact O-N 2.7Å; M1827-M1831 PolarHBondContact O-N 2.77Å; M1827-V1844 HydrophobicContact CB-CG1 3.7Å; M1827-V1844 HydrophobicContact CG-CG1 4.03Å; M1827-V1844 HydrophobicContact SD-CG1 4.44Å; M1827-L1848 HydrophobicContact SD-CB 3.92Å; M1827-L1848 HydrophobicContact SD-CD1 3.87Å; M1827-L1848 HydrophobicContact SD-CD2 4.32Å; M1827-L1848 HydrophobicContact SD-CG 4.26Å
1828E84.7Confident78Confident31 Ų3138.1 Ų38.115%0.14521%0.211CC..Hα-helixtrans-56.5-51.2173.7-179178.9-120.800110.8L1824 A1825 Y1830 M1831 L1832 H1886 S1889 F1890L1824-E1828 PolarHBondContact O-N 3.47Å; A1825-E1828 PolarHBondContact O-N 3.34Å; E1828-Y1830 VanDerWaalsContact C-N 3.35Å; E1828-Y1830 PolarHBondContact O-N 2.83Å; E1828-M1831 PolarHBondContact O-N 3.38Å; E1828-L1832 HydrophobicContact CG-CD1 3.79Å; E1828-L1832 HydrophobicContact CG-CG 4.36Å; E1828-L1832 WeakPolarHBondContact O-CB 3.33Å; E1828-L1832 VanDerWaalsContact O-CG 3.31Å; E1828-L1832 WeakPolarHBondContact O-CG 3.17Å; E1828-L1832 PolarHBondContact O-N 3.01Å; E1828-H1886 IonicContact OE2-CE1 3.78Å; E1828-S1889 WeakPolarHBondContact OE1-CB 3.28Å; E1828-S1889 PolarHBondContact OE1-OG 3.06Å; E1828-F1890 HydrophobicContact CB-CD1 3.76Å; E1828-F1890 HydrophobicContact CB-CD2 4.26Å; E1828-F1890 HydrophobicContact CB-CE1 3.78Å; E1828-F1890 HydrophobicContact CB-CE2 4.28Å; E1828-F1890 HydrophobicContact CB-CG 4.01Å; E1828-F1890 HydrophobicContact CB-CZ 4.05Å; E1828-F1890 HydrophobicContact CG-CB 3.97Å; E1828-F1890 HydrophobicContact CG-CD1 3.69Å; E1828-F1890 HydrophobicContact CG-CD2 4.42Å; E1828-F1890 HydrophobicContact CG-CE1 4.24Å; E1828-F1890 HydrophobicContact CG-CG 3.8Å; E1828-F1890 WeakPolarHBondContact OE1-CD1 3.34Å
1829Q81.4Confident77.4Confident55 Ų5537.9 Ų37.926%0.25721%0.212SC..Hα-helixtrans-64.8-36179.5-64.9-62.3-56.400112.8L1479 L1753 A1825 Y1826 M1831 L1832 A1833L1479-Q1829 HydrophobicContact CD1-CG 4.21Å; L1479-Q1829 HydrophobicContact CD2-CG 4.22Å; L1753-Q1829 HydrophobicContact CD1-CB 4Å; L1753-Q1829 HydrophobicContact CD2-CB 4.08Å; A1825-Q1829 VanDerWaalsContact O-CG 3.27Å; A1825-Q1829 WeakPolarHBondContact O-CG 3.39Å; A1825-Q1829 PolarHBondContact O-N 3.37Å; Y1826-Q1829 PolarHBondContact O-N 2.74Å; Q1829-M1831 VanDerWaalsContact C-N 3.34Å; Q1829-M1831 PolarHBondContact O-N 3.22Å; Q1829-L1832 PolarHBondContact O-N 3.5Å; Q1829-A1833 WeakPolarHBondContact O-CB 3.28Å; Q1829-A1833 PolarHBondContact O-N 3.05Å
1830Y79.3Confident76.9Confident0 Ų038 Ų380%021%0.213CC..Hα-helixtrans-63.4-38.5174.2-102.6-104.2000112.5L1749 F1752 L1753 I1796 Y1826 M1827 E1828 S1834 L1840L1749-Y1830 HydrophobicContact CB-CE2 4.13Å; L1749-Y1830 HydrophobicContact CD2-CE2 3.69Å; L1749-Y1830 WeakPolarHBondContact CD2-OH 3.27Å; F1752-Y1830 WeakPolarHBondContact CB-OH 3.48Å; L1753-Y1830 HydrophobicContact CD1-CD2 4.01Å; L1753-Y1830 HydrophobicContact CD1-CE2 4.04Å; L1753-Y1830 HydrophobicContact CD2-CD2 3.64Å; L1753-Y1830 HydrophobicContact CD2-CE2 3.99Å; L1753-Y1830 HydrophobicContact CD2-CG 4.21Å; L1753-Y1830 HydrophobicContact CG-CD2 3.74Å; L1753-Y1830 HydrophobicContact CG-CE2 3.61Å; I1796-Y1830 HydrophobicContact CD1-CD1 4.29Å; I1796-Y1830 HydrophobicContact CD1-CD2 3.91Å; I1796-Y1830 HydrophobicContact CD1-CE2 4.15Å; I1796-Y1830 HydrophobicContact CD1-CG 3.98Å; I1796-Y1830 HydrophobicContact CG1-CD1 3.78Å; I1796-Y1830 HydrophobicContact CG1-CD2 4.31Å; I1796-Y1830 HydrophobicContact CG1-CE1 4Å; I1796-Y1830 HydrophobicContact CG1-CG 3.94Å; Y1826-Y1830 WeakPolarHBondContact O-CB 3.44Å; Y1826-Y1830 WeakPolarHBondContact O-CD2 3.2Å; Y1826-Y1830 PolarHBondContact O-N 2.74Å; M1827-Y1830 PolarHBondContact O-N 2.7Å; E1828-Y1830 VanDerWaalsContact C-N 3.35Å; E1828-Y1830 PolarHBondContact O-N 2.83Å; Y1830-S1834 VanDerWaalsContact O-CB 3.28Å; Y1830-S1834 WeakPolarHBondContact O-CB 3.41Å; Y1830-S1834 PolarHBondContact O-OG 3.25Å; Y1830-L1840 HydrophobicContact CD1-CD1 4.35Å; Y1830-L1840 HydrophobicContact CD1-CD2 4.08Å; Y1830-L1840 HydrophobicContact CD1-CG 4.4Å; Y1830-L1840 HydrophobicContact CE1-CD2 4.5Å
1831M77.3Confident76.3Confident26 Ų2639.3 Ų39.313%0.12822%0.221CC..Hα-helixtrans-71.7-43.2174.3-73177.452.800112M1827 E1828 Q1829 S1834 T1841 V1844 F1890 L1891M1827-M1831 PolarHBondContact O-N 2.77Å; E1828-M1831 PolarHBondContact O-N 3.38Å; Q1829-M1831 VanDerWaalsContact C-N 3.34Å; Q1829-M1831 PolarHBondContact O-N 3.22Å; M1831-S1834 PolarHBondContact O-N 3.36Å; M1831-T1841 HydrophobicContact CE-CG2 3.95Å; M1831-T1841 HydrophobicContact CG-CG2 4.26Å; M1831-V1844 HydrophobicContact CG-CB 3.99Å; M1831-V1844 HydrophobicContact CG-CG1 3.8Å; M1831-V1844 HydrophobicContact CG-CG2 4.39Å; M1831-V1844 HydrophobicContact SD-CB 4.34Å; M1831-V1844 HydrophobicContact SD-CG1 3.82Å; M1831-F1890 HydrophobicContact CE-CD2 4.01Å; M1831-F1890 HydrophobicContact SD-CD2 3.76Å; M1831-F1890 HydrophobicContact SD-CE2 3.77Å; M1831-L1891 HydrophobicContact CE-CD1 3.97Å; M1831-L1891 HydrophobicContact CE-CD2 3.81Å; M1831-L1891 HydrophobicContact CE-CG 3.77Å; M1831-L1891 HydrophobicContact SD-CD1 3.85Å; M1831-L1891 HydrophobicContact SD-CG 4.27Å
1832L75.7Confident76Confident102 Ų10241.9 Ų41.953%0.53424%0.235SC..Hα-helixtrans-66.8-38.8-177.5-72.3174.7000113.4E1828 Q1829 S1834E1828-L1832 HydrophobicContact CG-CD1 3.79Å; E1828-L1832 HydrophobicContact CG-CG 4.36Å; E1828-L1832 WeakPolarHBondContact O-CB 3.33Å; E1828-L1832 VanDerWaalsContact O-CG 3.31Å; E1828-L1832 WeakPolarHBondContact O-CG 3.17Å; E1828-L1832 PolarHBondContact O-N 3.01Å; Q1829-L1832 PolarHBondContact O-N 3.5Å; L1832-S1834 PolarHBondContact O-N 3.43Å
1833A67.4Low75.7Confident13 Ų1340.6 Ų40.611%0.10724%0.235CC..THydrogen-bonded Turntrans-75.7-11.5179.400000113.5L1753 I1756 Q1829 S1835L1753-A1833 HydrophobicContact CD2-CB 4.31Å; I1756-A1833 HydrophobicContact CB-CB 4.24Å; I1756-A1833 HydrophobicContact CD1-CB 4.43Å; I1756-A1833 HydrophobicContact CG2-CB 3.76Å; I1756-A1833 WeakPolarHBondContact CG2-O 3.47Å; Q1829-A1833 WeakPolarHBondContact O-CB 3.28Å; Q1829-A1833 PolarHBondContact O-N 3.05Å; A1833-S1835 PolarHBondContact O-N 3Å
1834S62.6Low75.4Confident6 Ų640.6 Ų40.64%0.04224%0.235CC..  trans-103.836.6-168.4-57.30000113.1Y1830 M1831 L1832 N1836 S1837 L1840Y1830-S1834 VanDerWaalsContact O-CB 3.28Å; Y1830-S1834 WeakPolarHBondContact O-CB 3.41Å; Y1830-S1834 PolarHBondContact O-OG 3.25Å; M1831-S1834 PolarHBondContact O-N 3.36Å; L1832-S1834 PolarHBondContact O-N 3.43Å; S1834-N1836 PolarHBondContact O-N 2.91Å; S1834-S1837 PolarHBondContact O-N 2.68Å; S1834-L1840 WeakPolarHBondContact OG-CD2 3.36Å
1835S60.1Low75.3Confident82 Ų8244.5 Ų44.557%0.57325%0.25SC*.THydrogen-bonded Turntrans-44.6-21.5-177.7-48.70000116.3E1760 A1833E1760-S1835 WeakPolarHBondContact OE1-CB 3.27Å; E1760-S1835 PolarHBondContact OE1-OG 3.07Å; A1833-S1835 PolarHBondContact O-N 3Å
1836N59.3Low75.1Confident142 Ų14248.6 Ų48.676%0.75927%0.269SS*.THydrogen-bonded Turntrans-123.211.7-172.9-60.9-67.5000114.3S1834S1834-N1836 PolarHBondContact O-N 2.91Å
1837S65.9Low75.1Confident42 Ų4249.3 Ų49.329%0.29427%0.274SS..  trans-138.285.8-179.359.80000114.4S1834 S1839 L1840S1834-S1837 PolarHBondContact O-N 2.68Å; S1837-S1839 PolarHBondContact O-N 3.37Å; S1837-L1840 PolarHBondContact O-N 2.98Å
1838D67.7Low75.1Confident137 Ų13749.3 Ų49.373%0.73327%0.274SS*.Hα-helixtrans-45.9-40.3178.5-58-36.6000113.6L1840 T1841 D1842D1838-L1840 VanDerWaalsContact C-N 3.3Å; D1838-L1840 PolarHBondContact O-N 3.35Å; D1838-T1841 PolarHBondContact O-N 3.47Å; D1838-D1842 PolarHBondContact O-N 2.92Å
1839S71.2Confident75Confident71 Ų7150.7 Ų50.750%0.49728%0.279SS..Hα-helixtrans-60.8-33.7-176.459.90000114M1793 S1837 A1843M1793-S1839 WeakPolarHBondContact CE-O 3.09Å; S1837-S1839 PolarHBondContact O-N 3.37Å; S1839-A1843 WeakPolarHBondContact O-CB 3.48Å; S1839-A1843 PolarHBondContact O-N 3.44Å; S1839-A1843 VanDerWaalsContact O-N 3.1Å
1840L74.1Confident75.1Confident5 Ų551.8 Ų51.83%0.02629%0.287CS..Hα-helixtrans-78.4-39.5-179.9-172.457.5000110.7R1792 M1793 Y1830 S1834 S1837 D1838 D1842 A1843 V1844R1792-L1840 HydrophobicContact CB-CD1 4.46Å; R1792-L1840 HydrophobicContact CB-CD2 4Å; R1792-L1840 WeakPolarHBondContact O-CD1 3.46Å; M1793-L1840 HydrophobicContact CG-CD1 4.45Å; M1793-L1840 VanDerWaalsContact SD-CA 3.58Å; M1793-L1840 HydrophobicContact SD-CB 3.92Å; M1793-L1840 HydrophobicContact SD-CD1 3.85Å; Y1830-L1840 HydrophobicContact CD1-CD1 4.35Å; Y1830-L1840 HydrophobicContact CD1-CD2 4.08Å; Y1830-L1840 HydrophobicContact CD1-CG 4.4Å; Y1830-L1840 HydrophobicContact CE1-CD2 4.5Å; S1834-L1840 WeakPolarHBondContact OG-CD2 3.36Å; S1837-L1840 PolarHBondContact O-N 2.98Å; D1838-L1840 VanDerWaalsContact C-N 3.3Å; D1838-L1840 PolarHBondContact O-N 3.35Å; L1840-D1842 VanDerWaalsContact C-N 3.34Å; L1840-D1842 PolarHBondContact O-N 3.11Å; L1840-A1843 PolarHBondContact O-N 3.28Å; L1840-V1844 VanDerWaalsContact O-CG2 3.31Å; L1840-V1844 WeakPolarHBondContact O-CG2 3.48Å; L1840-V1844 PolarHBondContact O-N 3.36Å
1841T77.2Confident75.3Confident29 Ų2951.8 Ų51.818%0.17829%0.287CS..Hα-helixtrans-58.9-44.1174.6-54.10000111.7M1831 D1838 R1845M1831-T1841 HydrophobicContact CE-CG2 3.95Å; M1831-T1841 HydrophobicContact CG-CG2 4.26Å; D1838-T1841 PolarHBondContact O-N 3.47Å; T1841-R1845 VanDerWaalsContact O-CB 3.29Å; T1841-R1845 WeakPolarHBondContact O-CB 3.49Å; T1841-R1845 PolarHBondContact O-N 3.37Å
1842D80.2Confident75.6Confident88 Ų8850.6 Ų50.647%0.47128%0.281SS..Hα-helixtrans-70.7-37175.2-81.5-25.8000113D1838 L1840 V1844 R1845 E1846D1838-D1842 PolarHBondContact O-N 2.92Å; L1840-D1842 VanDerWaalsContact C-N 3.34Å; L1840-D1842 PolarHBondContact O-N 3.11Å; D1842-V1844 PolarHBondContact O-N 3.19Å; D1842-R1845 PolarHBondContact O-N 3.28Å; D1842-R1845 IonicContact OD1-CZ 2.69Å; D1842-R1845 IonicContact OD1-NH1 2.64Å; D1842-R1845 PolarHBondContact OD1-NH1 3.17Å; D1842-E1846 WeakPolarHBondContact O-CB 3.42Å; D1842-E1846 PolarHBondContact O-N 3.13Å
1843A78.3Confident75.9Confident22 Ų2249.5 Ų49.518%0.18228%0.275CS..Hα-helixtrans-63.4-38.9174.800000112.7M1793 S1839 L1840 S1847M1793-A1843 HydrophobicContact CE-CB 3.88Å; M1793-A1843 HydrophobicContact SD-CB 4.37Å; S1839-A1843 WeakPolarHBondContact O-CB 3.48Å; S1839-A1843 PolarHBondContact O-N 3.44Å; S1839-A1843 VanDerWaalsContact O-N 3.1Å; L1840-A1843 PolarHBondContact O-N 3.28Å; A1843-S1847 VanDerWaalsContact O-CB 3.27Å; A1843-S1847 WeakPolarHBondContact O-CB 3.32Å; A1843-S1847 PolarHBondContact O-N 3.07Å; A1843-S1847 PolarHBondContact O-OG 2.98Å
1844V80.8Confident76.5Confident0 Ų050.9 Ų50.90%028%0.282CS..Hα-helixtrans-65.7-52172.7175.30000110.4I1796 M1827 M1831 L1840 D1842 E1846 S1847 L1848I1796-V1844 HydrophobicContact CB-CG2 4.35Å; I1796-V1844 HydrophobicContact CG1-CG2 4.11Å; I1796-V1844 HydrophobicContact CG2-CG2 4.16Å; M1827-V1844 HydrophobicContact CB-CG1 3.7Å; M1827-V1844 HydrophobicContact CG-CG1 4.03Å; M1827-V1844 HydrophobicContact SD-CG1 4.44Å; M1831-V1844 HydrophobicContact CG-CB 3.99Å; M1831-V1844 HydrophobicContact CG-CG1 3.8Å; M1831-V1844 HydrophobicContact CG-CG2 4.39Å; M1831-V1844 HydrophobicContact SD-CB 4.34Å; M1831-V1844 HydrophobicContact SD-CG1 3.82Å; L1840-V1844 VanDerWaalsContact O-CG2 3.31Å; L1840-V1844 WeakPolarHBondContact O-CG2 3.48Å; L1840-V1844 PolarHBondContact O-N 3.36Å; D1842-V1844 PolarHBondContact O-N 3.19Å; V1844-E1846 VanDerWaalsContact C-N 3.33Å; V1844-E1846 PolarHBondContact O-N 3.48Å; V1844-S1847 PolarHBondContact O-N 3.22Å; V1844-L1848 VanDerWaalsContact O-CB 3.29Å; V1844-L1848 WeakPolarHBondContact O-CB 3.33Å; V1844-L1848 PolarHBondContact O-N 3.22Å
1845R82.7Confident77.4Confident83 Ų8350.7 Ų50.731%0.31328%0.281SS..Hα-helixtrans-55.4-45.9-179.9177.6-174.6-76.1146.5-9.6111.9T1841 D1842 L1848 K1849 L1894T1841-R1845 VanDerWaalsContact O-CB 3.29Å; T1841-R1845 WeakPolarHBondContact O-CB 3.49Å; T1841-R1845 PolarHBondContact O-N 3.37Å; D1842-R1845 PolarHBondContact O-N 3.28Å; D1842-R1845 IonicContact OD1-CZ 2.69Å; D1842-R1845 IonicContact OD1-NH1 2.64Å; D1842-R1845 PolarHBondContact OD1-NH1 3.17Å; R1845-L1848 PolarHBondContact O-N 2.83Å; R1845-K1849 WeakPolarHBondContact O-CG 3.44Å; R1845-K1849 PolarHBondContact O-N 3.35Å; R1845-L1894 HydrophobicContact CG-CD1 4.38Å
1846E82.2Confident78.3Confident86 Ų8648.3 Ų48.340%0.40226%0.264SS..Hα-helixtrans-71.4-40.5-179.6-167.155.5-139.300111.8D1842 V1844 L1848 K1849 N1850D1842-E1846 WeakPolarHBondContact O-CB 3.42Å; D1842-E1846 PolarHBondContact O-N 3.13Å; V1844-E1846 VanDerWaalsContact C-N 3.33Å; V1844-E1846 PolarHBondContact O-N 3.48Å; E1846-L1848 VanDerWaalsContact C-N 3.26Å; E1846-L1848 PolarHBondContact O-N 3.02Å; E1846-K1849 PolarHBondContact O-N 3.44Å; E1846-K1849 WeakPolarHBondContact OE2-CD 3.38Å; E1846-K1849 WeakPolarHBondContact OE2-CE 3.43Å; E1846-K1849 IonicContact OE2-NZ 3.93Å; E1846-K1849 PolarHBondContact OE2-NZ 3.49Å; E1846-N1850 PolarHBondContact O-N 2.96Å; E1846-N1850 VanDerWaalsContact O-N 3.14Å; E1846-N1850 PolarHBondContact O-ND2 2.77Å; E1846-N1850 PolarHBondContact OE1-ND2 2.82Å
1847S83.8Confident79Confident16 Ų1645.9 Ų45.911%0.11225%0.254CS..Hα-helixtrans-58.3-40.6173.2-610000111.8A1843 V1844 N1850 V1851A1843-S1847 VanDerWaalsContact O-CB 3.27Å; A1843-S1847 WeakPolarHBondContact O-CB 3.32Å; A1843-S1847 PolarHBondContact O-N 3.07Å; A1843-S1847 PolarHBondContact O-OG 2.98Å; V1844-S1847 PolarHBondContact O-N 3.22Å; S1847-N1850 PolarHBondContact O-N 2.98Å; S1847-V1851 WeakPolarHBondContact O-CG2 3.29Å; S1847-V1851 PolarHBondContact O-N 3.18Å
1848L85.2Confident79.1Confident0 Ų044.6 Ų44.60%025%0.247CC..Hα-helixtrans-69.2-43.8179.2178.554.9000112.7W1820 L1824 M1827 V1844 R1845 E1846 N1850 V1851 L1852 L1887 F1890 L1891 L1894W1820-L1848 HydrophobicContact CH2-CD1 4.44Å; L1824-L1848 HydrophobicContact CD2-CD1 3.64Å; M1827-L1848 HydrophobicContact SD-CB 3.92Å; M1827-L1848 HydrophobicContact SD-CD1 3.87Å; M1827-L1848 HydrophobicContact SD-CD2 4.32Å; M1827-L1848 HydrophobicContact SD-CG 4.26Å; V1844-L1848 VanDerWaalsContact O-CB 3.29Å; V1844-L1848 WeakPolarHBondContact O-CB 3.33Å; V1844-L1848 PolarHBondContact O-N 3.22Å; R1845-L1848 PolarHBondContact O-N 2.83Å; E1846-L1848 VanDerWaalsContact C-N 3.26Å; E1846-L1848 PolarHBondContact O-N 3.02Å; L1848-N1850 VanDerWaalsContact C-N 3.3Å; L1848-N1850 PolarHBondContact O-N 3.13Å; L1848-V1851 PolarHBondContact O-N 2.89Å; L1848-L1852 HydrophobicContact CD1-CD1 3.91Å; L1848-L1852 HydrophobicContact CD1-CG 4.05Å; L1848-L1852 HydrophobicContact CG-CD1 4Å; L1848-L1852 VanDerWaalsContact O-CG 3.31Å; L1848-L1852 WeakPolarHBondContact O-CG 3.44Å; L1848-L1852 PolarHBondContact O-N 3.21Å; L1848-L1887 HydrophobicContact CD1-CD2 4.26Å; L1848-L1887 HydrophobicContact CD2-CD2 3.69Å; L1848-L1887 HydrophobicContact CG-CD2 4.34Å; L1848-F1890 HydrophobicContact CD2-CE2 4.28Å; L1848-F1890 HydrophobicContact CD2-CZ 4.25Å; L1848-L1891 HydrophobicContact CD2-CD1 3.82Å; L1848-L1894 HydrophobicContact CD2-CD2 4.01Å; L1848-L1894 HydrophobicContact CG-CD2 4.04Å
1849K83.2Confident79.2Confident60 Ų6041.2 Ų41.226%0.26123%0.232SC..Hα-helixtrans-52.9-49.2171.2-72.4-178.6-157.7158.60111.4R1845 E1846 V1851 L1852 L1853 L1894 L1898R1845-K1849 WeakPolarHBondContact O-CG 3.44Å; R1845-K1849 PolarHBondContact O-N 3.35Å; E1846-K1849 PolarHBondContact O-N 3.44Å; E1846-K1849 WeakPolarHBondContact OE2-CD 3.38Å; E1846-K1849 WeakPolarHBondContact OE2-CE 3.43Å; E1846-K1849 IonicContact OE2-NZ 3.93Å; E1846-K1849 PolarHBondContact OE2-NZ 3.49Å; K1849-V1851 PolarHBondContact O-N 3.4Å; K1849-L1852 PolarHBondContact O-N 3.04Å; K1849-L1853 VanDerWaalsContact O-CB 3.32Å; K1849-L1853 WeakPolarHBondContact O-CB 3.27Å; K1849-L1853 PolarHBondContact O-N 3.5Å; K1849-L1894 HydrophobicContact CG-CD1 3.94Å; K1849-L1898 HydrophobicContact CB-CD2 4.42Å; K1849-L1898 HydrophobicContact CG-CD1 4.34Å; K1849-L1898 HydrophobicContact CG-CD2 4.24Å
1850N83.1Confident78.8Confident78 Ų7847.2 Ų47.242%0.41725%0.252SS..Hα-helixtrans-65.6-37-175.4-76.8-80.1000112.1E1846 S1847 L1848 V1854E1846-N1850 PolarHBondContact O-N 2.96Å; E1846-N1850 VanDerWaalsContact O-N 3.14Å; E1846-N1850 PolarHBondContact O-ND2 2.77Å; E1846-N1850 PolarHBondContact OE1-ND2 2.82Å; S1847-N1850 PolarHBondContact O-N 2.98Å; L1848-N1850 VanDerWaalsContact C-N 3.3Å; L1848-N1850 PolarHBondContact O-N 3.13Å; N1850-V1854 WeakPolarHBondContact O-CB 3.47Å; N1850-V1854 VanDerWaalsContact O-CG2 3.28Å; N1850-V1854 WeakPolarHBondContact O-CG2 3.47Å; N1850-V1854 PolarHBondContact O-N 2.64Å; N1850-V1854 VanDerWaalsContact O-N 3.12Å
1851V84.2Confident77.9Confident0 Ų053.1 Ų53.10%028%0.283CS..Hα-helixtrans-67.2-48.1172.8176.30000111.9T1800 Y1803 L1804 W1820 M1823 S1847 L1848 K1849 L1853 V1854 M1855T1800-V1851 HydrophobicContact CG2-CG2 3.55Å; Y1803-V1851 HydrophobicContact CD1-CG1 4.28Å; Y1803-V1851 HydrophobicContact CE1-CG1 4.25Å; L1804-V1851 HydrophobicContact CD1-CG2 3.98Å; L1804-V1851 HydrophobicContact CD2-CG1 4.17Å; L1804-V1851 HydrophobicContact CD2-CG2 4.4Å; L1804-V1851 HydrophobicContact CG-CG2 4.11Å; W1820-V1851 HydrophobicContact CH2-CB 4.48Å; W1820-V1851 HydrophobicContact CH2-CG1 3.59Å; W1820-V1851 HydrophobicContact CZ3-CG1 3.65Å; M1823-V1851 HydrophobicContact CE-CG2 4.43Å; S1847-V1851 WeakPolarHBondContact O-CG2 3.29Å; S1847-V1851 PolarHBondContact O-N 3.18Å; L1848-V1851 PolarHBondContact O-N 2.89Å; K1849-V1851 PolarHBondContact O-N 3.4Å; V1851-L1853 VanDerWaalsContact C-N 3.31Å; V1851-L1853 PolarHBondContact O-N 3.34Å; V1851-V1854 PolarHBondContact O-N 2.97Å; V1851-M1855 HydrophobicContact CG1-CG 4.24Å; V1851-M1855 HydrophobicContact CG1-SD 3.64Å; V1851-M1855 WeakPolarHBondContact O-CB 3.37Å; V1851-M1855 WeakPolarHBondContact O-CG 3.47Å; V1851-M1855 PolarHBondContact O-N 2.74Å
1852L83Confident77.3Confident0 Ų053 Ų530%028%0.281CS..Hα-helixtrans-60.6-41.1179.4-69.6168.7000111.9W1820 L1848 K1849 C1856 L1866 T1883 L1887 L1894 L1895 L1898W1820-L1852 HydrophobicContact CH2-CD2 4.42Å; W1820-L1852 HydrophobicContact CZ2-CD2 3.89Å; L1848-L1852 HydrophobicContact CD1-CD1 3.91Å; L1848-L1852 HydrophobicContact CD1-CG 4.05Å; L1848-L1852 HydrophobicContact CG-CD1 4Å; L1848-L1852 VanDerWaalsContact O-CG 3.31Å; L1848-L1852 WeakPolarHBondContact O-CG 3.44Å; L1848-L1852 PolarHBondContact O-N 3.21Å; K1849-L1852 PolarHBondContact O-N 3.04Å; L1852-C1856 VanDerWaalsContact O-CB 3.29Å; L1852-C1856 WeakPolarHBondContact O-CB 3.31Å; L1852-C1856 PolarHBondContact O-N 2.79Å; L1852-L1866 HydrophobicContact CD2-CD2 3.77Å; L1852-T1883 HydrophobicContact CD2-CG2 3.64Å; L1852-L1887 HydrophobicContact CD1-CD1 3.75Å; L1852-L1887 HydrophobicContact CD2-CD1 4.2Å; L1852-L1894 HydrophobicContact CD1-CD2 3.86Å; L1852-L1895 HydrophobicContact CD1-CD2 4.46Å; L1852-L1898 HydrophobicContact CB-CD1 4.27Å; L1852-L1898 HydrophobicContact CD1-CD1 4.06Å
1853L81.6Confident76.7Confident80 Ų8055.6 Ų55.642%0.41930%0.295SS..Hα-helixtrans-61.9-51.7176.4-162.982.3000110.6K1849 V1851 M1855 C1856 T1857K1849-L1853 VanDerWaalsContact O-CB 3.32Å; K1849-L1853 WeakPolarHBondContact O-CB 3.27Å; K1849-L1853 PolarHBondContact O-N 3.5Å; V1851-L1853 VanDerWaalsContact C-N 3.31Å; V1851-L1853 PolarHBondContact O-N 3.34Å; L1853-M1855 PolarHBondContact O-N 3.41Å; L1853-C1856 CarbonylContact O-C 3.58Å; L1853-C1856 PolarHBondContact O-N 3.4Å; L1853-C1856 VanDerWaalsContact O-N 3.07Å; L1853-T1857 HydrophobicContact CG-CG2 4.42Å; L1853-T1857 WeakPolarHBondContact O-CG2 3.29Å; L1853-T1857 PolarHBondContact O-N 3.08Å; L1853-T1857 PolarHBondContact O-OG1 3.03Å; L1853-T1857 VanDerWaalsContact O-OG1 3.12Å
1854V80.3Confident76.5Confident41 Ų4157.2 Ų57.225%0.24830%0.304CS..Hα-helixtrans-62.8-39179.7171.50000112.1L1804 N1850 V1851 C1856 G1858 T1859L1804-V1854 HydrophobicContact CD2-CB 4.14Å; L1804-V1854 HydrophobicContact CD2-CG1 3.82Å; N1850-V1854 WeakPolarHBondContact O-CB 3.47Å; N1850-V1854 VanDerWaalsContact O-CG2 3.28Å; N1850-V1854 WeakPolarHBondContact O-CG2 3.47Å; N1850-V1854 PolarHBondContact O-N 2.64Å; N1850-V1854 VanDerWaalsContact O-N 3.12Å; V1851-V1854 PolarHBondContact O-N 2.97Å; V1854-C1856 VanDerWaalsContact C-N 3.27Å; V1854-C1856 PolarHBondContact O-N 3.49Å; V1854-G1858 WeakPolarHBondContact O-CA 3.4Å; V1854-G1858 PolarHBondContact O-N 3.26Å; V1854-T1859 HydrophobicContact CG1-CG2 3.61Å
1855M81.7Confident76.2Confident2 Ų257.4 Ų57.41%0.0131%0.305CS..Hα-helixtrans-67.2-27.7175.1-70.7176.86600112.7Y1803 L1807 F1816 W1820 V1851 L1853 I1865 L1866 L1879Y1803-M1855 HydrophobicContact CE1-SD 3.97Å; L1807-M1855 HydrophobicContact CD2-CG 4.4Å; F1816-M1855 HydrophobicContact CZ-CE 4.19Å; W1820-M1855 HydrophobicContact CD2-CE 4.4Å; W1820-M1855 HydrophobicContact CE3-SD 4.37Å; W1820-M1855 HydrophobicContact CH2-SD 3.96Å; W1820-M1855 HydrophobicContact CZ2-SD 4.12Å; W1820-M1855 HydrophobicContact CZ3-SD 4.09Å; V1851-M1855 HydrophobicContact CG1-CG 4.24Å; V1851-M1855 HydrophobicContact CG1-SD 3.64Å; V1851-M1855 WeakPolarHBondContact O-CB 3.37Å; V1851-M1855 WeakPolarHBondContact O-CG 3.47Å; V1851-M1855 PolarHBondContact O-N 2.74Å; L1853-M1855 PolarHBondContact O-N 3.41Å; M1855-I1865 HydrophobicContact CE-CG2 4.25Å; M1855-I1865 PolarHBondContact O-N 3.19Å; M1855-L1866 HydrophobicContact CB-CB 3.88Å; M1855-L1866 PolarHBondContact O-N 2.73Å; M1855-L1879 HydrophobicContact CE-CD2 3.87Å
1856C77.6Confident75.8Confident32 Ų3253.4 Ų53.422%0.21629%0.29CS..Hα-helixtrans-86.4-32.5177.3-172.20000113.4L1852 L1853 V1854 P1864 L1866 F1899L1852-C1856 VanDerWaalsContact O-CB 3.29Å; L1852-C1856 WeakPolarHBondContact O-CB 3.31Å; L1852-C1856 PolarHBondContact O-N 2.79Å; L1853-C1856 CarbonylContact O-C 3.58Å; L1853-C1856 PolarHBondContact O-N 3.4Å; L1853-C1856 VanDerWaalsContact O-N 3.07Å; V1854-C1856 VanDerWaalsContact C-N 3.27Å; V1854-C1856 PolarHBondContact O-N 3.49Å; C1856-P1864 WeakPolarHBondContact O-CB 3.49Å; C1856-L1866 WeakPolarHBondContact CA-O 3.39Å; C1856-L1866 PolarHBondContact SG-O 2.82Å; C1856-L1866 VanDerWaalsContact SG-O 3.41Å; C1856-F1899 HydrophobicContact CB-CE1 3.82Å; C1856-F1899 HydrophobicContact CB-CZ 3.71Å; C1856-F1899 WeakPolarHBondContact SG-CE1 3.5Å
1857T74.4Confident75.3Confident91 Ų9152.6 Ų52.656%0.55829%0.287SS*.Hα-helixtrans-89-21.3178.259.60000113.6L1853L1853-T1857 HydrophobicContact CG-CG2 4.42Å; L1853-T1857 WeakPolarHBondContact O-CG2 3.29Å; L1853-T1857 PolarHBondContact O-N 3.08Å; L1853-T1857 PolarHBondContact O-OG1 3.03Å; L1853-T1857 VanDerWaalsContact O-OG1 3.12Å
1858G68Low74.3Confident15 Ų1555 Ų5516%0.15530%0.296CS..  trans75.8-178.7-167.600000113V1854 I1862V1854-G1858 WeakPolarHBondContact O-CA 3.4Å; V1854-G1858 PolarHBondContact O-N 3.26Å; G1858-I1862 CarbonylContact C-O 3.14Å; G1858-I1862 WeakPolarHBondContact CA-O 3.25Å
1859T69.9Low73.4Confident66 Ų6662.1 Ų62.141%0.40533%0.334SS..BIsolated β-bridgetrans-129.3174171.868.30000109.7V1854 D1861 I1862V1854-T1859 HydrophobicContact CG1-CG2 3.61Å; T1859-D1861 PolarHBondContact O-N 3.48Å; T1859-I1862 PolarHBondContact N-O 3.04Å; T1859-I1862 PolarHBondContact O-N 3.28Å; T1859-I1862 VanDerWaalsContact O-N 3.14Å; T1859-I1862 WeakPolarHBondContact OG1-CG1 3.43Å
1860H62.9Low72.4Confident198 Ų19860.5 Ų60.592%0.91733%0.33SS*.THydrogen-bonded Turntrans-57.2-23.4-178.2-74.6-65.5000114.9
1861D56.2Low71.5Confident128 Ų12861.4 Ų61.468%0.68434%0.34SS*.THydrogen-bonded Turntrans-1131.5-179.3-59.5-67.8000113.8T1859T1859-D1861 PolarHBondContact O-N 3.48Å
1862I64.2Low70Confident27 Ų2765.8 Ų65.814%0.13838%0.376CS..BIsolated β-bridgetrans-144.3118.5-172.2-46.6177000110.4L1807 R1808 G1858 T1859 I1865L1807-I1862 HydrophobicContact CB-CD1 3.86Å; L1807-I1862 HydrophobicContact CD2-CD1 4.21Å; L1807-I1862 HydrophobicContact CG-CD1 4.11Å; R1808-I1862 HydrophobicContact CB-CD1 3.78Å; R1808-I1862 HydrophobicContact CB-CG1 4.1Å; G1858-I1862 CarbonylContact C-O 3.14Å; G1858-I1862 WeakPolarHBondContact CA-O 3.25Å; T1859-I1862 PolarHBondContact N-O 3.04Å; T1859-I1862 PolarHBondContact O-N 3.28Å; T1859-I1862 VanDerWaalsContact O-N 3.14Å; T1859-I1862 WeakPolarHBondContact OG1-CG1 3.43Å; I1862-I1865 HydrophobicContact CG2-CD1 3.85Å; I1862-I1865 HydrophobicContact CG2-CG1 4.16Å
1863N68.2Low68.9Low142 Ų14273.1 Ų73.176%0.75942%0.415SS*.  trans-60158.6173.7-72.5-20.1000112.3I1865N1863-I1865 PolarHBondContact O-N 3.34Å; N1863-I1865 VanDerWaalsContact O-N 3.17Å
1864P72.2Confident68.3Low56 Ų5670.7 Ų70.736%0.36441%0.405SS..  trans-43.9120166.6-32.937.8000113.3C1856 I1867C1856-P1864 WeakPolarHBondContact O-CB 3.49Å; P1864-I1867 HydrophobicContact CB-CD1 4.21Å; P1864-I1867 HydrophobicContact CB-CG1 3.98Å
1865I75.5Confident67.6Low4 Ų473.9 Ų73.92%0.02142%0.421CS..  trans-93.4-43.2-179.9-67.8177.9000109.9L1807 Y1811 F1816 M1855 I1862 N1863 S1876 L1879L1807-I1865 HydrophobicContact CD1-CD1 4.15Å; L1807-I1865 HydrophobicContact CD2-CD1 4.01Å; L1807-I1865 HydrophobicContact CG-CD1 3.92Å; Y1811-I1865 HydrophobicContact CD1-CD1 4.47Å; Y1811-I1865 HydrophobicContact CD2-CD1 3.93Å; Y1811-I1865 HydrophobicContact CD2-CG1 4.31Å; Y1811-I1865 HydrophobicContact CD2-CG2 3.97Å; Y1811-I1865 HydrophobicContact CE2-CD1 4.42Å; Y1811-I1865 HydrophobicContact CE2-CG1 4.31Å; Y1811-I1865 HydrophobicContact CE2-CG2 3.68Å; Y1811-I1865 HydrophobicContact CG-CD1 3.95Å; F1816-I1865 HydrophobicContact CE1-CG2 4.24Å; F1816-I1865 HydrophobicContact CZ-CG2 4.46Å; M1855-I1865 HydrophobicContact CE-CG2 4.25Å; M1855-I1865 PolarHBondContact O-N 3.19Å; I1862-I1865 HydrophobicContact CG2-CD1 3.85Å; I1862-I1865 HydrophobicContact CG2-CG1 4.16Å; N1863-I1865 PolarHBondContact O-N 3.34Å; N1863-I1865 VanDerWaalsContact O-N 3.17Å; I1865-S1876 VanDerWaalsContact O-CB 3.22Å; I1865-S1876 WeakPolarHBondContact O-CB 3.4Å; I1865-S1876 PolarHBondContact O-OG 3.46Å; I1865-L1879 HydrophobicContact CG2-CD2 3.41Å; I1865-L1879 VanDerWaalsContact CG2-CD2 3.41Å
1866L73.5Confident67Low0 Ų074.5 Ų74.50%043%0.425CS..SBendtrans-100.687.5-172.9-168.782.1000110.1L1852 M1855 C1856 L1879 W1880 T1883L1852-L1866 HydrophobicContact CD2-CD2 3.77Å; M1855-L1866 HydrophobicContact CB-CB 3.88Å; M1855-L1866 PolarHBondContact O-N 2.73Å; C1856-L1866 WeakPolarHBondContact CA-O 3.39Å; C1856-L1866 PolarHBondContact SG-O 2.82Å; C1856-L1866 VanDerWaalsContact SG-O 3.41Å; L1866-L1879 HydrophobicContact CD1-CD2 3.98Å; L1866-L1879 HydrophobicContact CD1-CG 3.97Å; L1866-W1880 HydrophobicContact CD1-CE3 4.4Å; L1866-W1880 HydrophobicContact CD2-CE3 4.35Å; L1866-W1880 HydrophobicContact CD2-CZ3 4.26Å; L1866-W1880 HydrophobicContact CG-CE3 3.83Å; L1866-W1880 HydrophobicContact CG-CZ3 4.18Å; L1866-T1883 HydrophobicContact CD1-CG2 4.29Å
1867I72.9Confident66.8Low68 Ų6873.9 Ų73.935%0.34942%0.423SS..  trans-108.9122.3-173.3-60.2168.5000109.9P1864 S1870P1864-I1867 HydrophobicContact CB-CD1 4.21Å; P1864-I1867 HydrophobicContact CB-CG1 3.98Å; I1867-S1870 WeakPolarHBondContact O-CB 3.31Å
1868K63Low66.9Low68 Ų6872.7 Ų72.730%0.29641%0.412SS..THydrogen-bonded Turntrans-62.5-52-176.6-168168.6-164.3-176.10113.6S1870 W1880 F1899 S1901K1868-S1870 VanDerWaalsContact C-N 3.3Å; K1868-S1870 PolarHBondContact O-N 3.38Å; K1868-W1880 HydrophobicContact CB-CD2 4.22Å; K1868-W1880 HydrophobicContact CB-CE3 3.96Å; K1868-W1880 HydrophobicContact CB-CH2 3.81Å; K1868-W1880 HydrophobicContact CB-CZ2 4.05Å; K1868-W1880 HydrophobicContact CB-CZ3 3.75Å; K1868-W1880 HydrophobicContact CD-CH2 3.88Å; K1868-W1880 HydrophobicContact CD-CZ2 3.78Å; K1868-W1880 HydrophobicContact CG-CD2 4.32Å; K1868-W1880 HydrophobicContact CG-CE3 4.47Å; K1868-W1880 HydrophobicContact CG-CH2 3.82Å; K1868-W1880 HydrophobicContact CG-CZ2 3.59Å; K1868-W1880 HydrophobicContact CG-CZ3 4.24Å; K1868-F1899 HydrophobicContact CD-CB 4.37Å; K1868-F1899 PolarHBondContact NZ-O 3.21Å; K1868-S1901 PolarHBondContact NZ-OG 3.21Å
1869D65.8Low67.4Low149 Ų14972 Ų7280%0.79741%0.405SS*.THydrogen-bonded Turntrans-95.238-176.3-54.5-65000112.4
1870S62Low68Low25 Ų2569.7 Ų69.718%0.17539%0.389CS..PPolyproline II helixtrans-77.1140.8-179.5-157.50000111.4I1867 K1868 S1874I1867-S1870 WeakPolarHBondContact O-CB 3.31Å; K1868-S1870 VanDerWaalsContact C-N 3.3Å; K1868-S1870 PolarHBondContact O-N 3.38Å; S1870-S1874 PolarHBondContact OG-OG 2.91Å
1871P63.6Low68.8Low97 Ų9766.1 Ų66.163%0.6337%0.373SS*.PPolyproline II helixtrans-61.5141.9-177.223.8-34.4000112.4N1873 S1874P1871-N1873 PolarHBondContact O-N 2.93Å; P1871-S1874 VanDerWaalsContact O-CB 3.3Å; P1871-S1874 WeakPolarHBondContact O-CB 3.47Å; P1871-S1874 PolarHBondContact O-N 2.7Å; P1871-S1874 PolarHBondContact O-OG 2.86Å
1872A53Low69.9Low92 Ų9262.4 Ų62.476%0.7635%0.353SS*.THydrogen-bonded Turntrans-52.3138.9-179.700000112.1S1874A1872-S1874 VanDerWaalsContact C-N 3.34Å
1873N61.2Low70.7Confident154 Ų15461.2 Ų61.282%0.82435%0.346SS*.THydrogen-bonded Turntrans70.610.2-171.6-52-13000116.3P1871P1871-N1873 PolarHBondContact O-N 2.93Å
1874S69Low71.4Confident29 Ų2959.1 Ų59.120%0.20333%0.332CS..  trans-76.1150.7164.785.90000111.3S1870 P1871 A1872 S1876 A1877 I1878S1870-S1874 PolarHBondContact OG-OG 2.91Å; P1871-S1874 VanDerWaalsContact O-CB 3.3Å; P1871-S1874 WeakPolarHBondContact O-CB 3.47Å; P1871-S1874 PolarHBondContact O-N 2.7Å; P1871-S1874 PolarHBondContact O-OG 2.86Å; A1872-S1874 VanDerWaalsContact C-N 3.34Å; S1874-S1876 PolarHBondContact O-N 3.01Å; S1874-S1876 PolarHBondContact OG-N 3.24Å; S1874-A1877 PolarHBondContact O-N 3.25Å; S1874-A1877 VanDerWaalsContact O-N 3.12Å; S1874-A1877 WeakPolarHBondContact OG-CB 3.28Å; S1874-A1877 PolarHBondContact OG-N 3.1Å; S1874-I1878 WeakPolarHBondContact O-CG1 3.46Å; S1874-I1878 PolarHBondContact O-N 3.07Å
1875N65.4Low71.8Confident108 Ų10863.1 Ų63.158%0.57834%0.344SS*.Hα-helixtrans-58.8-34.8174.2-78.14.9000111.9L1879N1875-L1879 VanDerWaalsContact O-CB 3.25Å; N1875-L1879 WeakPolarHBondContact O-CB 3.34Å; N1875-L1879 PolarHBondContact O-N 3.24Å
1876S68.2Low71.9Confident15 Ų1564.5 Ų64.511%0.10535%0.35CS..Hα-helixtrans-67.3-37.6175.1-64.10000113.1I1865 S1874 W1880I1865-S1876 VanDerWaalsContact O-CB 3.22Å; I1865-S1876 WeakPolarHBondContact O-CB 3.4Å; I1865-S1876 PolarHBondContact O-OG 3.46Å; S1874-S1876 PolarHBondContact O-N 3.01Å; S1874-S1876 PolarHBondContact OG-N 3.24Å; S1876-W1880 WeakPolarHBondContact O-CB 3.23Å; S1876-W1880 PolarHBondContact O-N 3.31Å
1877A73.2Confident72.2Confident20 Ų2064.6 Ų64.617%0.16535%0.351CS..Hα-helixtrans-68.2-43.717500000111.2S1874 W1880 E1881S1874-A1877 PolarHBondContact O-N 3.25Å; S1874-A1877 VanDerWaalsContact O-N 3.12Å; S1874-A1877 WeakPolarHBondContact OG-CB 3.28Å; S1874-A1877 PolarHBondContact OG-N 3.1Å; A1877-W1880 PolarHBondContact O-N 3.27Å; A1877-E1881 PolarHBondContact O-N 3.27Å
1878I76Confident72.4Confident65 Ų6564.8 Ų64.833%0.33336%0.358SS..Hα-helixtrans-61.9-45175.7-66.2165.5000110.2S1874 E1881 L1882S1874-I1878 WeakPolarHBondContact O-CG1 3.46Å; S1874-I1878 PolarHBondContact O-N 3.07Å; I1878-E1881 PolarHBondContact O-N 3.03Å; I1878-L1882 HydrophobicContact CG2-CD1 3.72Å; I1878-L1882 HydrophobicContact CG2-CG 4.41Å; I1878-L1882 WeakPolarHBondContact O-CB 3.09Å; I1878-L1882 WeakPolarHBondContact O-CD1 3.3Å; I1878-L1882 WeakPolarHBondContact O-CG 3.39Å; I1878-L1882 PolarHBondContact O-N 2.8Å
1879L79.7Confident72.9Confident2 Ų265 Ų651%0.0137%0.368CS..Hα-helixtrans-63.5-40.9175.6-176.174.6000111.9F1816 N1817 W1820 M1855 I1865 L1866 N1875 T1883F1816-L1879 HydrophobicContact CD1-CD1 4.37Å; F1816-L1879 HydrophobicContact CE1-CD1 3.99Å; F1816-L1879 HydrophobicContact CE1-CD2 3.96Å; N1817-L1879 WeakPolarHBondContact OD1-CD1 3.44Å; W1820-L1879 HydrophobicContact CB-CD1 4.46Å; W1820-L1879 VanDerWaalsContact CD1-CD1 3.45Å; W1820-L1879 HydrophobicContact CG-CD1 4.13Å; M1855-L1879 HydrophobicContact CE-CD2 3.87Å; I1865-L1879 HydrophobicContact CG2-CD2 3.41Å; I1865-L1879 VanDerWaalsContact CG2-CD2 3.41Å; L1866-L1879 HydrophobicContact CD1-CD2 3.98Å; L1866-L1879 HydrophobicContact CD1-CG 3.97Å; N1875-L1879 VanDerWaalsContact O-CB 3.25Å; N1875-L1879 WeakPolarHBondContact O-CB 3.34Å; N1875-L1879 PolarHBondContact O-N 3.24Å; L1879-T1883 VanDerWaalsContact O-CB 3.23Å; L1879-T1883 WeakPolarHBondContact O-CB 3.45Å; L1879-T1883 PolarHBondContact O-N 3.26Å; L1879-T1883 PolarHBondContact O-OG1 2.98Å
1880W82.5Confident73.3Confident16 Ų1659.3 Ų59.36%0.06134%0.336CS..Hα-helixtrans-60.9-53174.8-178.2-78.4000111L1866 K1868 S1876 A1877 L1882 T1883 E1884 L1895 F1899L1866-W1880 HydrophobicContact CD1-CE3 4.4Å; L1866-W1880 HydrophobicContact CD2-CE3 4.35Å; L1866-W1880 HydrophobicContact CD2-CZ3 4.26Å; L1866-W1880 HydrophobicContact CG-CE3 3.83Å; L1866-W1880 HydrophobicContact CG-CZ3 4.18Å; K1868-W1880 HydrophobicContact CB-CD2 4.22Å; K1868-W1880 HydrophobicContact CB-CE3 3.96Å; K1868-W1880 HydrophobicContact CB-CH2 3.81Å; K1868-W1880 HydrophobicContact CB-CZ2 4.05Å; K1868-W1880 HydrophobicContact CB-CZ3 3.75Å; K1868-W1880 HydrophobicContact CD-CH2 3.88Å; K1868-W1880 HydrophobicContact CD-CZ2 3.78Å; K1868-W1880 HydrophobicContact CG-CD2 4.32Å; K1868-W1880 HydrophobicContact CG-CE3 4.47Å; K1868-W1880 HydrophobicContact CG-CH2 3.82Å; K1868-W1880 HydrophobicContact CG-CZ2 3.59Å; K1868-W1880 HydrophobicContact CG-CZ3 4.24Å; S1876-W1880 WeakPolarHBondContact O-CB 3.23Å; S1876-W1880 PolarHBondContact O-N 3.31Å; A1877-W1880 PolarHBondContact O-N 3.27Å; W1880-L1882 VanDerWaalsContact C-N 3.34Å; W1880-L1882 PolarHBondContact O-N 3.18Å; W1880-T1883 WeakPolarHBondContact O-CB 3.43Å; W1880-T1883 PolarHBondContact O-N 3.23Å; W1880-T1883 VanDerWaalsContact O-N 3.08Å; W1880-E1884 PolarHBondContact NE1-OE2 2.95Å; W1880-E1884 WeakPolarHBondContact O-CB 3.39Å; W1880-E1884 PolarHBondContact O-N 3.12Å; W1880-L1895 HydrophobicContact CH2-CD2 4.33Å; W1880-L1895 HydrophobicContact CZ2-CD1 4.44Å; W1880-F1899 HydrophobicContact CH2-CB 4.29Å; W1880-F1899 AromaticContact CH2-CD2 3.68Å; W1880-F1899 HydrophobicContact CH2-CD2 3.68Å; W1880-F1899 HydrophobicContact CH2-CE2 4.21Å; W1880-F1899 HydrophobicContact CH2-CG 4.07Å; W1880-F1899 HydrophobicContact CZ3-CD2 4.29Å; W1880-F1899 HydrophobicContact CZ3-CE2 4.42Å
1881E79.3Confident74Confident123 Ų12358.8 Ų58.858%0.57533%0.331SS*.Hα-helixtrans-58.5-44180-168.7-165.9152.300111.7A1877 I1878 T1883 K1885A1877-E1881 PolarHBondContact O-N 3.27Å; I1878-E1881 PolarHBondContact O-N 3.03Å; E1881-T1883 VanDerWaalsContact C-N 3.33Å; E1881-T1883 PolarHBondContact O-N 2.7Å; E1881-K1885 WeakPolarHBondContact O-CB 3.43Å; E1881-K1885 PolarHBondContact O-N 2.72Å
1882L80.4Confident74.2Confident51 Ų5158.6 Ų58.627%0.26733%0.33SS..Hα-helixtrans-64.6-37.5176.7-68.8169.1000112.2N1817 I1821 I1878 W1880 H1886N1817-L1882 HydrophobicContact CB-CD1 4.26Å; I1821-L1882 HydrophobicContact CD1-CB 4.22Å; I1821-L1882 HydrophobicContact CD1-CD1 4.07Å; I1821-L1882 HydrophobicContact CD1-CD2 4.04Å; I1821-L1882 HydrophobicContact CD1-CG 4.33Å; I1878-L1882 HydrophobicContact CG2-CD1 3.72Å; I1878-L1882 HydrophobicContact CG2-CG 4.41Å; I1878-L1882 WeakPolarHBondContact O-CB 3.09Å; I1878-L1882 WeakPolarHBondContact O-CD1 3.3Å; I1878-L1882 WeakPolarHBondContact O-CG 3.39Å; I1878-L1882 PolarHBondContact O-N 2.8Å; W1880-L1882 VanDerWaalsContact C-N 3.34Å; W1880-L1882 PolarHBondContact O-N 3.18Å; L1882-H1886 WeakPolarHBondContact O-CB 3.37Å; L1882-H1886 PolarHBondContact O-N 3.15Å; L1882-H1886 VanDerWaalsContact O-N 3.07Å
1883T80.8Confident75Confident1 Ų160 Ų601%0.00632%0.321CS..Hα-helixtrans-70.2-46.8177.5-58.50000111.1W1820 L1824 L1852 L1866 L1879 W1880 E1881 H1886 L1887W1820-T1883 HydrophobicContact CZ2-CG2 4.3Å; W1820-T1883 PolarHBondContact NE1-OG1 2.86Å; L1824-T1883 HydrophobicContact CD1-CG2 4.43Å; L1852-T1883 HydrophobicContact CD2-CG2 3.64Å; L1866-T1883 HydrophobicContact CD1-CG2 4.29Å; L1879-T1883 VanDerWaalsContact O-CB 3.23Å; L1879-T1883 WeakPolarHBondContact O-CB 3.45Å; L1879-T1883 PolarHBondContact O-N 3.26Å; L1879-T1883 PolarHBondContact O-OG1 2.98Å; W1880-T1883 WeakPolarHBondContact O-CB 3.43Å; W1880-T1883 PolarHBondContact O-N 3.23Å; W1880-T1883 VanDerWaalsContact O-N 3.08Å; E1881-T1883 VanDerWaalsContact C-N 3.33Å; E1881-T1883 PolarHBondContact O-N 2.7Å; T1883-H1886 PolarHBondContact O-N 2.82Å; T1883-L1887 HydrophobicContact CG2-CD1 3.67Å; T1883-L1887 HydrophobicContact CG2-CG 4.3Å; T1883-L1887 WeakPolarHBondContact O-CB 3.47Å; T1883-L1887 VanDerWaalsContact O-CG 3.22Å; T1883-L1887 WeakPolarHBondContact O-CG 3.32Å; T1883-L1887 PolarHBondContact O-N 3.32Å
1884E82.2Confident75.6Confident98 Ų9853 Ų5346%0.45828%0.283SS..Hα-helixtrans-61-48.6177-177.2173.3159.900111.4W1880 H1886 L1887 S1888 L1895W1880-E1884 PolarHBondContact NE1-OE2 2.95Å; W1880-E1884 WeakPolarHBondContact O-CB 3.39Å; W1880-E1884 PolarHBondContact O-N 3.12Å; E1884-H1886 VanDerWaalsContact C-N 3.35Å; E1884-H1886 PolarHBondContact O-N 3.27Å; E1884-L1887 PolarHBondContact O-N 3.1Å; E1884-S1888 VanDerWaalsContact O-CB 3.31Å; E1884-S1888 WeakPolarHBondContact O-CB 3.43Å; E1884-S1888 PolarHBondContact O-N 3.19Å; E1884-L1895 VanDerWaalsContact CA-CD1 3.49Å; E1884-L1895 HydrophobicContact CB-CD1 3.72Å; E1884-L1895 HydrophobicContact CG-CD1 3.87Å
1885K80Confident75.8Confident141 Ų14152.3 Ų52.361%0.61328%0.277SS*.Hα-helixtrans-58.3-43.7176.9-172.8173.8-172.8169.70112.4E1881 S1888E1881-K1885 WeakPolarHBondContact O-CB 3.43Å; E1881-K1885 PolarHBondContact O-N 2.72Å; K1885-S1888 PolarHBondContact O-OG 3.43Å
1886H79.3Confident76Confident33 Ų3354 Ų5415%0.15328%0.282CS..Hα-helixtrans-81.1-26.5-178.3-150.2-33.8000113.8L1824 E1828 L1882 T1883 E1884 S1889 F1890L1824-H1886 HydrophobicContact CD1-CB 4.16Å; E1828-H1886 IonicContact OE2-CE1 3.78Å; L1882-H1886 WeakPolarHBondContact O-CB 3.37Å; L1882-H1886 PolarHBondContact O-N 3.15Å; L1882-H1886 VanDerWaalsContact O-N 3.07Å; T1883-H1886 PolarHBondContact O-N 2.82Å; E1884-H1886 VanDerWaalsContact C-N 3.35Å; E1884-H1886 PolarHBondContact O-N 3.27Å; H1886-S1889 PolarHBondContact O-OG 3.02Å; H1886-F1890 VanDerWaalsContact O-CD1 3.27Å; H1886-F1890 WeakPolarHBondContact O-CD1 3.38Å; H1886-F1890 WeakPolarHBondContact O-CE1 3.31Å
1887L79.8Confident76Confident2 Ų259.4 Ų59.41%0.0131%0.306CS..Hα-helixtrans-74.2-33.1170.8-70.2173.9000111.6L1824 L1848 L1852 T1883 E1884 S1889 F1890 L1891 L1895L1824-L1887 HydrophobicContact CD2-CD2 4.17Å; L1848-L1887 HydrophobicContact CD1-CD2 4.26Å; L1848-L1887 HydrophobicContact CD2-CD2 3.69Å; L1848-L1887 HydrophobicContact CG-CD2 4.34Å; L1852-L1887 HydrophobicContact CD1-CD1 3.75Å; L1852-L1887 HydrophobicContact CD2-CD1 4.2Å; T1883-L1887 HydrophobicContact CG2-CD1 3.67Å; T1883-L1887 HydrophobicContact CG2-CG 4.3Å; T1883-L1887 WeakPolarHBondContact O-CB 3.47Å; T1883-L1887 VanDerWaalsContact O-CG 3.22Å; T1883-L1887 WeakPolarHBondContact O-CG 3.32Å; T1883-L1887 PolarHBondContact O-N 3.32Å; E1884-L1887 PolarHBondContact O-N 3.1Å; L1887-S1889 PolarHBondContact O-N 3.43Å; L1887-S1889 VanDerWaalsContact O-N 3.11Å; L1887-F1890 HydrophobicContact CD2-CE1 4.2Å; L1887-F1890 HydrophobicContact CD2-CZ 3.96Å; L1887-F1890 PolarHBondContact O-N 2.75Å; L1887-L1891 CarbonylContact O-C 3.33Å; L1887-L1891 WeakPolarHBondContact O-CA 3.39Å; L1887-L1891 PolarHBondContact O-N 3.03Å; L1887-L1895 HydrophobicContact CD1-CD1 3.95Å; L1887-L1895 HydrophobicContact CD1-CD2 3.87Å; L1887-L1895 HydrophobicContact CD1-CG 3.78Å
1888S76.1Confident75.7Confident71 Ų7160.6 Ų60.650%0.49731%0.309SS..THydrogen-bonded Turntrans-60.8-20.5179.9770000114.6E1884 K1885E1884-S1888 VanDerWaalsContact O-CB 3.31Å; E1884-S1888 WeakPolarHBondContact O-CB 3.43Å; E1884-S1888 PolarHBondContact O-N 3.19Å; K1885-S1888 PolarHBondContact O-OG 3.43Å
1889S73.1Confident75.4Confident73 Ų7359.1 Ų59.151%0.5130%0.3SS..THydrogen-bonded Turntrans-76.6-25.117856.40000114.2E1828 H1886 L1887E1828-S1889 WeakPolarHBondContact OE1-CB 3.28Å; E1828-S1889 PolarHBondContact OE1-OG 3.06Å; H1886-S1889 PolarHBondContact O-OG 3.02Å; L1887-S1889 PolarHBondContact O-N 3.43Å; L1887-S1889 VanDerWaalsContact O-N 3.11Å
1890F74.5Confident74.4Confident29 Ų2963.3 Ų63.313%0.12733%0.328CS..THydrogen-bonded Turntrans-138.5-17.6-173.273.1-82.6000116.2E1828 M1831 L1848 H1886 L1887E1828-F1890 HydrophobicContact CB-CD1 3.76Å; E1828-F1890 HydrophobicContact CB-CD2 4.26Å; E1828-F1890 HydrophobicContact CB-CE1 3.78Å; E1828-F1890 HydrophobicContact CB-CE2 4.28Å; E1828-F1890 HydrophobicContact CB-CG 4.01Å; E1828-F1890 HydrophobicContact CB-CZ 4.05Å; E1828-F1890 HydrophobicContact CG-CB 3.97Å; E1828-F1890 HydrophobicContact CG-CD1 3.69Å; E1828-F1890 HydrophobicContact CG-CD2 4.42Å; E1828-F1890 HydrophobicContact CG-CE1 4.24Å; E1828-F1890 HydrophobicContact CG-CG 3.8Å; E1828-F1890 WeakPolarHBondContact OE1-CD1 3.34Å; M1831-F1890 HydrophobicContact CE-CD2 4.01Å; M1831-F1890 HydrophobicContact SD-CD2 3.76Å; M1831-F1890 HydrophobicContact SD-CE2 3.77Å; L1848-F1890 HydrophobicContact CD2-CE2 4.28Å; L1848-F1890 HydrophobicContact CD2-CZ 4.25Å; H1886-F1890 VanDerWaalsContact O-CD1 3.27Å; H1886-F1890 WeakPolarHBondContact O-CD1 3.38Å; H1886-F1890 WeakPolarHBondContact O-CE1 3.31Å; L1887-F1890 HydrophobicContact CD2-CE1 4.2Å; L1887-F1890 HydrophobicContact CD2-CZ 3.96Å; L1887-F1890 PolarHBondContact O-N 2.75Å
1891L77.2Confident72.5Confident14 Ų1466.8 Ų66.87%0.07335%0.354CS..  trans-140.960.4177-80.8175.7000111.5M1831 L1848 L1887 E1893 L1894M1831-L1891 HydrophobicContact CE-CD1 3.97Å; M1831-L1891 HydrophobicContact CE-CD2 3.81Å; M1831-L1891 HydrophobicContact CE-CG 3.77Å; M1831-L1891 HydrophobicContact SD-CD1 3.85Å; M1831-L1891 HydrophobicContact SD-CG 4.27Å; L1848-L1891 HydrophobicContact CD2-CD1 3.82Å; L1887-L1891 CarbonylContact O-C 3.33Å; L1887-L1891 WeakPolarHBondContact O-CA 3.39Å; L1887-L1891 PolarHBondContact O-N 3.03Å; L1891-E1893 VanDerWaalsContact C-N 3.33Å; L1891-E1893 PolarHBondContact O-N 3.4Å; L1891-L1894 HydrophobicContact CB-CB 4.05Å; L1891-L1894 HydrophobicContact CD1-CD2 4.11Å; L1891-L1894 WeakPolarHBondContact O-CB 3.29Å; L1891-L1894 PolarHBondContact O-N 3.1Å; L1891-L1894 VanDerWaalsContact O-N 3.07Å
1892P67.3Low71Confident94 Ų9467.9 Ų67.961%0.6136%0.364SS*.THydrogen-bonded Turntrans-59-35.9-169.622.5-34.3000114.8L1894P1892-L1894 PolarHBondContact O-N 3.25Å
1893E70.4Confident68.6Low122 Ų12272.8 Ų72.857%0.5739%0.39SS*.THydrogen-bonded Turntrans-79.6-11.2-179.9-62.1-178.7-169.700114L1891 L1895 E1896 Q1897L1891-E1893 VanDerWaalsContact C-N 3.33Å; L1891-E1893 PolarHBondContact O-N 3.4Å; E1893-L1895 PolarHBondContact O-N 2.72Å; E1893-E1896 PolarHBondContact O-N 2.78Å; E1893-Q1897 HydrophobicContact CB-CG 4.45Å; E1893-Q1897 WeakPolarHBondContact O-CB 3.24Å; E1893-Q1897 VanDerWaalsContact O-CG 3.31Å; E1893-Q1897 WeakPolarHBondContact O-CG 3.48Å; E1893-Q1897 PolarHBondContact O-N 2.77Å; E1893-Q1897 PolarHBondContact OE2-NE2 2.7Å
1894L74.2Confident66.5Low5 Ų577.7 Ų77.73%0.02642%0.421CS..Hα-helixtrans-65.3-39.6-167.2-170.776.2000112.9R1845 L1848 K1849 L1852 L1891 P1892 Q1897 L1898R1845-L1894 HydrophobicContact CG-CD1 4.38Å; L1848-L1894 HydrophobicContact CD2-CD2 4.01Å; L1848-L1894 HydrophobicContact CG-CD2 4.04Å; K1849-L1894 HydrophobicContact CG-CD1 3.94Å; L1852-L1894 HydrophobicContact CD1-CD2 3.86Å; L1891-L1894 HydrophobicContact CB-CB 4.05Å; L1891-L1894 HydrophobicContact CD1-CD2 4.11Å; L1891-L1894 WeakPolarHBondContact O-CB 3.29Å; L1891-L1894 PolarHBondContact O-N 3.1Å; L1891-L1894 VanDerWaalsContact O-N 3.07Å; P1892-L1894 PolarHBondContact O-N 3.25Å; L1894-Q1897 PolarHBondContact O-N 3.25Å; L1894-L1898 HydrophobicContact CG-CD1 4.07Å; L1894-L1898 WeakPolarHBondContact O-CB 3.47Å; L1894-L1898 WeakPolarHBondContact O-CG 3.38Å; L1894-L1898 PolarHBondContact O-N 3.43Å
1895L72.2Confident64Low15 Ų1580.6 Ų80.68%0.07944%0.435CS..Hα-helixtrans-74.3-30.1178-71.9177.4000112.6L1852 W1880 E1884 L1887 E1893 F1899L1852-L1895 HydrophobicContact CD1-CD2 4.46Å; W1880-L1895 HydrophobicContact CH2-CD2 4.33Å; W1880-L1895 HydrophobicContact CZ2-CD1 4.44Å; E1884-L1895 VanDerWaalsContact CA-CD1 3.49Å; E1884-L1895 HydrophobicContact CB-CD1 3.72Å; E1884-L1895 HydrophobicContact CG-CD1 3.87Å; L1887-L1895 HydrophobicContact CD1-CD1 3.95Å; L1887-L1895 HydrophobicContact CD1-CD2 3.87Å; L1887-L1895 HydrophobicContact CD1-CG 3.78Å; E1893-L1895 PolarHBondContact O-N 2.72Å; L1895-F1899 HydrophobicContact CD2-CD2 3.89Å; L1895-F1899 HydrophobicContact CD2-CE2 3.96Å; L1895-F1899 CarbonylContact O-C 3.53Å; L1895-F1899 WeakPolarHBondContact O-CA 3.38Å; L1895-F1899 WeakPolarHBondContact O-CB 3.5Å; L1895-F1899 PolarHBondContact O-N 2.7Å
1896E69.6Low61.4Low143 Ų14379.3 Ų79.367%0.66844%0.439SS*.Hα-helixtrans-71.7-36.7172.8-63.4-168.5148.500111.5E1893 P1900E1893-E1896 PolarHBondContact O-N 2.78Å; E1896-P1900 WeakPolarHBondContact O-CA 3.37Å; E1896-P1900 WeakPolarHBondContact O-CB 3.5Å; E1896-P1900 WeakPolarHBondContact O-CD 3.42Å
1897Q69.3Low59Low129 Ų12983.6 Ų83.660%0.60346%0.463SS*.Hα-helixtrans-70.3-35.4175.5-70.5177.518.100113E1893 L1894E1893-Q1897 HydrophobicContact CB-CG 4.45Å; E1893-Q1897 WeakPolarHBondContact O-CB 3.24Å; E1893-Q1897 VanDerWaalsContact O-CG 3.31Å; E1893-Q1897 WeakPolarHBondContact O-CG 3.48Å; E1893-Q1897 PolarHBondContact O-N 2.77Å; E1893-Q1897 PolarHBondContact OE2-NE2 2.7Å; L1894-Q1897 PolarHBondContact O-N 3.25Å
1898L66Low56.4Low45 Ų4588.7 Ų88.724%0.23650%0.495CS..Hα-helixtrans-82.9-36.1177-71.1171.9000113.1K1849 L1852 L1894K1849-L1898 HydrophobicContact CB-CD2 4.42Å; K1849-L1898 HydrophobicContact CG-CD1 4.34Å; K1849-L1898 HydrophobicContact CG-CD2 4.24Å; L1852-L1898 HydrophobicContact CB-CD1 4.27Å; L1852-L1898 HydrophobicContact CD1-CD1 4.06Å; L1894-L1898 HydrophobicContact CG-CD1 4.07Å; L1894-L1898 WeakPolarHBondContact O-CB 3.47Å; L1894-L1898 WeakPolarHBondContact O-CG 3.38Å; L1894-L1898 PolarHBondContact O-N 3.43Å
1899F69.4Low54.2Low35 Ų3590.6 Ų90.615%0.15450%0.504CS..SBendtrans-136.962.6-170.4-49.4-70.1000112.1C1856 K1868 W1880 L1895 S1901C1856-F1899 HydrophobicContact CB-CE1 3.82Å; C1856-F1899 HydrophobicContact CB-CZ 3.71Å; C1856-F1899 WeakPolarHBondContact SG-CE1 3.5Å; K1868-F1899 HydrophobicContact CD-CB 4.37Å; K1868-F1899 PolarHBondContact NZ-O 3.21Å; W1880-F1899 HydrophobicContact CH2-CB 4.29Å; W1880-F1899 AromaticContact CH2-CD2 3.68Å; W1880-F1899 HydrophobicContact CH2-CD2 3.68Å; W1880-F1899 HydrophobicContact CH2-CE2 4.21Å; W1880-F1899 HydrophobicContact CH2-CG 4.07Å; W1880-F1899 HydrophobicContact CZ3-CD2 4.29Å; W1880-F1899 HydrophobicContact CZ3-CE2 4.42Å; L1895-F1899 HydrophobicContact CD2-CD2 3.89Å; L1895-F1899 HydrophobicContact CD2-CE2 3.96Å; L1895-F1899 CarbonylContact O-C 3.53Å; L1895-F1899 WeakPolarHBondContact O-CA 3.38Å; L1895-F1899 WeakPolarHBondContact O-CB 3.5Å; L1895-F1899 PolarHBondContact O-N 2.7Å; F1899-S1901 PolarHBondContact O-N 2.94Å
1900P58Low52.2Low90 Ų9093.3 Ų93.358%0.58451%0.512SS*.  trans-65.2126-17725.7-34.2000112.4E1896E1896-P1900 WeakPolarHBondContact O-CA 3.37Å; E1896-P1900 WeakPolarHBondContact O-CB 3.5Å; E1896-P1900 WeakPolarHBondContact O-CD 3.42Å
1901S44.4Very low50.1Low89 Ų8997.3 Ų97.362%0.62254%0.539SS*.  trans-99.9113.3173.2-70.50000110.4K1868 F1899K1868-S1901 PolarHBondContact NZ-OG 3.21Å; F1899-S1901 PolarHBondContact O-N 2.94Å
1902N46.9Very low47.9Very low146 Ų146104 Ų10478%0.78157%0.573SS**  trans-73.3164.8177.5-61-59.9000112.7
1903L30.5Very low46Very low154 Ų154104.4 Ų104.481%0.80657%0.574SS**  trans156.7166.5147.6-86.5160.4000109.7
1904P36.9Very low44Very low103 Ų103105.5 Ų105.567%0.66958%0.584SS**  cis-129.7153.1-26.733.6-16.8000115.1
1905E28.1Very low41.6Very low159 Ų159109.4 Ų109.474%0.74361%0.611SS**  14.1142.5125.5-48.3179.7156.900119.3
1906T26.3Very low39.5Very low115 Ų115114.7 Ų114.771%0.70664%0.64SS**  174.2163.289.437.30000109.3
1907N28Very low37.5Very low122 Ų122114.8 Ų114.865%0.65265%0.645SS**  cis-161.7135.46-123.5-1.2000114.5
1908T26.6Very low36Very low110 Ų110114.2 Ų114.268%0.67565%0.652SS**  trans61.7173.3131.8710000122
1909T29.1Very low34.7Very low111 Ų111117.7 Ų117.768%0.68168%0.677SS**  cis-144.8-170.53.6-9.10000108
1910N30.6Very low32.5Very low129 Ų129120.3 Ų120.369%0.6971%0.706SS**  cis-165.4161.810-129-26.5000107.7
1911V30.7Very low31Very low114 Ų114123.2 Ų123.269%0.69172%0.715SS**  cis-115.9-117.8-4.1-161.50000109
1912I31.1Very low30.1Very low155 Ų155124.3 Ų124.380%0.79572%0.718SS**  cis-134.3148.5-1.6-71.8175.4000109.5
1913T28.8Very low28.9Very low102 Ų102125.8 Ų125.863%0.62672%0.72SS**  trans-58.7161.2174.652.10000115.8
1914N28Very low28.6Very low144 Ų144123.5 Ų123.577%0.7772%0.717SS**  cis-173.3-174.1-0.4-98.55.1000107.5
1915S23.7Very low28Very low87 Ų87124.5 Ų124.561%0.60872%0.716SS**  -174.6162.8-59.166.30000111.1
1916N28Very low27.9Very low127 Ų127124.5 Ų124.568%0.67972%0.717SS**  trans86.9108.7160.7-60.750.3000123.4
1917D27.2Very low27.7Very low145 Ų145126.6 Ų126.678%0.77572%0.718SS**  77155.8117.1-56.1-21.2000125.6
1918P37.1Very low27.5Very low116 Ų116127 Ų12775%0.75372%0.72SS**  trans-127.7-153-157.747.4-31.2000113.7
1919P39.1Very low27.3Very low118 Ų118127 Ų12777%0.76672%0.72SS**  cis-125.9163-32.435.7-20.8000114.6
1920A23.9Very low27.2Very low90 Ų90128.6 Ų128.674%0.74472%0.719SS**  trans170.1134.4141.900000117.2
1921I26.1Very low26.9Very low152 Ų152130.3 Ų130.378%0.77972%0.723SS**  trans72.4114.2135.9-66.6172.3000122.6
1922T24.9Very low26.5Very low111 Ų111129.4 Ų129.468%0.68172%0.722SS**  trans59.1118.6149.257.50000125.6
1923E23.2Very low26.1Very low178 Ų178127.3 Ų127.383%0.83272%0.721SS**  87.7129.4122.6-70.7178.8-178.500125
1924S23.6Very low25.9Very low106 Ų106130.5 Ų130.574%0.74173%0.731SS**  trans90.6112.6147.2680000122.5
1925N24.5Very low25.7Very low123 Ų123127 Ų12766%0.65872%0.717SS**  trans69123.8134.4-65.644.8000123.4
1926E24.8Very low25.9Very low160 Ų160129.8 Ų129.875%0.74873%0.726SS**  59141.4121.9-58.6164.6162.700120
1927E23.2Very low25.8Very low158 Ų158129.6 Ų129.674%0.73873%0.725SS**  cis-162.1156.4-1.7-119.8-170151.900111.9
1928L24.2Very low26.1Very low130 Ų130130.4 Ų130.468%0.68172%0.723SS**  trans53.9127143.5-67.6169.8000125.4
1929T22.4Very low26Very low110 Ų110132.9 Ų132.968%0.67573%0.729SS**  trans93.4148.8131.762.20000125.7
1930H26.9Very low25.7Very low146 Ų146134.8 Ų134.868%0.67673%0.732SS**  trans70.2113.7170.2-63.1-74.3000118.2
1931E23.4Very low25.9Very low165 Ų165134.3 Ų134.377%0.77173%0.729SS**  86.3145.866.7-80178.5171.900114.1
1932S22.7Very low25.9Very low95 Ų95134.2 Ų134.266%0.66474%0.735SS**  cis-170.8164.3-14.958.20000111.6
1933S22.4Very low26.1Very low111 Ų111135.8 Ų135.878%0.77674%0.739SS**  trans68.1175.1165.883.50000118.8
1934M24.5Very low26.2Very low168 Ų168135.1 Ų135.183%0.82874%0.736SS**  cis-177.4171-34.1-96174.471.400108.3
1935S24.6Very low26.3Very low70 Ų70135.9 Ų135.949%0.4974%0.736SS.*  cis-169.3167.2-40.663.10000111
1936D26.5Very low26.2Very low146 Ų146137.2 Ų137.278%0.78174%0.742SS**  trans63.5165.5153.6-46.5-36.5000122.8
1937D27.6Very low26.1Very low124 Ų124135.9 Ų135.966%0.66374%0.74SS**  cis-170.3166.3-45.6-160.82.5000112.8
1938H31.8Very low26.2Very low161 Ų161134.4 Ų134.475%0.74574%0.741SS**  trans66.2164150.8-92.849.1000124.2
1939I35.7Very low26.5Very low169 Ų169133.5 Ų133.587%0.86774%0.743SS**  trans162.5151141.6-86.9160.9000114.4
1940N31.9Very low26.6Very low157 Ų157133.6 Ų133.684%0.8474%0.744SS**  trans-152.6157.9160.4-157.3-8.8000113.2
1941A28.1Very low26.5Very low81 Ų81131.3 Ų131.367%0.66975%0.745SS**  trans89110.916400000123.8
1942V27.4Very low26.6Very low149 Ų149134.2 Ų134.290%0.90375%0.748SS**  trans79.2170.3139.9-174.70000118.8
1943N28.9Very low26.7Very low144 Ų144134.5 Ų134.577%0.7775%0.75SS**  trans-145.8158.4-131.1-145.5-19.8000115.8
1944Q25.2Very low27.6Very low165 Ų165134.8 Ų134.877%0.77175%0.75SS**  trans79.3111.4161.9-68.5-166.4-0.500124
1945V25.8Very low27.7Very low121 Ų121131.2 Ų131.273%0.73375%0.747SS**  90.4128.4123.3174.60000121.9
1946L23.1Very low27.8Very low151 Ų151136.8 Ų136.879%0.79177%0.765SS**  trans82.9140.7160.6-88.3165.1000121.4
1947D22.7Very low27.6Very low132 Ų132134.6 Ų134.671%0.70676%0.761SS**  trans57.1112.1164.7-71.7-14.4000123.7
1948V24.3Very low27.4Very low127 Ų127137.1 Ų137.177%0.7777%0.769SS**  trans81.3134.5131.4176.20000118
1949P30.8Very low27Very low111 Ų111136.5 Ų136.572%0.72177%0.77SS**  trans-99.8-169-17540.7-35.3000112.4
1950T25.1Very low26.5Very low112 Ų112134.8 Ų134.869%0.68776%0.762SS**  162.5136.7108.4-53.10000111.6
1951S24.2Very low26.1Very low99 Ų99133 Ų13369%0.69275%0.753SS**  trans60.5154.3155.453.70000120.1
1952R26.2Very low26Very low225 Ų225134.9 Ų134.985%0.84975%0.752SS**  cis-159.9148.3-15-102.5170.2176.4176.6-3.3104.2
1953S23.9Very low26.1Very low101 Ų101133.7 Ų133.771%0.70675%0.745SS**  cis67.9150.548.2113.20000114.6
1954P40.5Very low26Very low117 Ų117134 Ų13476%0.7675%0.746SS**  trans-111.4-179.9-149.442.1-36.5000116
1955A26.7Very low26.6Very low94 Ų94131.8 Ų131.878%0.77775%0.746SS**  trans70.491.4152.100000120.2
1956E28Very low26.4Very low187 Ų187131 Ų13187%0.87475%0.746SS**  trans-133.9142.6133.7-69.2-177.8136.700105.4
1957S22.5Very low26.4Very low99 Ų99131.2 Ų131.269%0.69275%0.748SS**  cis77.771.327.985.20000116.3
1958Q22.7Very low27Very low177 Ų177132.9 Ų132.983%0.82776%0.755SS**  174.3143.7129-100174.933.700113.2
1959L24.4Very low27.3Very low148 Ų148131.8 Ų131.878%0.77575%0.75SS**  trans65.7138.7160.1-59.9166.7000117.1
1960L23.6Very low27.1Very low133 Ų133132.2 Ų132.270%0.69675%0.751SS**  cis-165.7129.9-11.6-177.273.6000108.9
1961N24.6Very low27.1Very low121 Ų121132.8 Ų132.865%0.64775%0.754SS**  trans59154.2158-68.535.7000119.2
1962D26.2Very low27.4Very low120 Ų120133.5 Ų133.564%0.64275%0.754SS**  cis-149.4129.3-13.8-101-22.9000107.8
1963V28.7Very low27.6Very low124 Ų124129.9 Ų129.975%0.75275%0.747SS**  73.3106.196.3177.70000115.5
1964N27.3Very low28Very low151 Ų151132.4 Ų132.481%0.80775%0.747SS**  16.9161.9126.3-100.73.6000122.6
1965P37.5Very low27.5Very low118 Ų118131.7 Ų131.777%0.76674%0.744SS**  trans-90133.1-152.433.9-37.1000116.9
1966S21.8Very low27.7Very low104 Ų104131.4 Ų131.473%0.72774%0.736SS**  trans-159.2159.4145.450.80000109.9
1967D23.8Very low27.7Very low156 Ų156128.8 Ų128.883%0.83473%0.728SS**  trans67101.2173.1-61.2-13.6000119.6
1968I35.2Very low28Very low166 Ų166131.2 Ų131.285%0.85173%0.728SS**  trans-57132.8149.1-61.1157.4000107.2
1969P30.6Very low28.4Very low104 Ų104128.6 Ų128.668%0.67572%0.72SS**  -160.9164.378.244.7-24.3000120.2
1970V25Very low28.7Very low120 Ų120128 Ų12873%0.72772%0.716SS**  trans66.5114.5136.6157.50000119.4
1971V26.9Very low28.8Very low124 Ų124127.8 Ų127.875%0.75272%0.716SS**  78.5130.478.4138.20000112
1972V30.4Very low28.9Very low115 Ų115133 Ų13370%0.69773%0.726SS**  cis-172.6-170.213.260.10000114.4
1973E30.6Very low29Very low149 Ų149132 Ų13270%0.69673%0.729SS**  trans83.7138157.9-88.7-172.3-96.500117.8
1974Q31Very low28.9Very low154 Ų154131.4 Ų131.472%0.7273%0.73SS**  cis-142.1170.5-2.5-91.7-162.320.100108.4
1975C29.4Very low28.9Very low102 Ų102132 Ų13269%0.68973%0.733SS**  cis-160.2161.6-9-1130000106.2
1976S30.9Very low28.2Very low88 Ų88134 Ų13462%0.61573%0.731SS**  cis-167139.73.347.40000111.5
1977N29.8Very low28.3Very low132 Ų132136 Ų13671%0.70673%0.733SS**  trans65.4149.9147.6-57.310.3000118.5
1978H28.6Very low28.2Very low149 Ų149133.3 Ų133.369%0.6973%0.727SS**  cis-172.9168.1-8.9-99.4-29.7000107
1979D29.5Very low27.7Very low122 Ų122133.8 Ų133.865%0.65273%0.725SS**  cis-173.1156.6-27.8-110.544.3000106.8
1980I30.6Very low27.7Very low137 Ų137136.4 Ų136.470%0.70373%0.731SS**  cis-151.4-96.4-6.3-168.7175.1000114.4
1981N27.4Very low27.9Very low127 Ų127136.4 Ų136.468%0.67973%0.731SS**  trans-171.9-177.4-165.2-89-67.1000109.7
1982R26.7Very low28Very low230 Ų230137.8 Ų137.887%0.86873%0.732SS**  cis-177172.4-34.1-166.8174.2-167.6178.94.5106.3
1983S27.1Very low27.9Very low100 Ų100136.9 Ų136.970%0.69973%0.731SS**  trans-89.8157.6-165.4580000118
1984S27.8Very low27.7Very low112 Ų112139.4 Ų139.478%0.78374%0.74SS**  trans92.4108.3151.2-52.10000120.2
1985L26Very low28.2Very low163 Ų163137.4 Ų137.485%0.85374%0.741SS**  trans-160.5177.7138.4-112.6169.1000110.9
1986E22.7Very low28.1Very low159 Ų159140.1 Ų140.174%0.74375%0.748SS**  trans-83.3164.5-151-71.6168.9130.400119.4
1987L23.8Very low27.8Very low147 Ų147143 Ų14377%0.7776%0.755SS**  trans78.5119.5140.7-83.8161.2000122.8
1988S22.7Very low27.6Very low99 Ų99141.3 Ų141.369%0.69275%0.754SS**  trans96.4139.5130.973.80000120.9
1989E25.2Very low27.4Very low176 Ų176139.7 Ų139.782%0.82275%0.754SS**  trans55.1115.7164-59.9-179.2-178.300117.3
1990M30.4Very low27.3Very low160 Ų160140.4 Ų140.479%0.78876%0.757SS**  cis-154.8151.238.4-70.2-174165.300114.4
1991T28.7Very low27Very low120 Ų120143.4 Ų143.474%0.73676%0.761SS**  trans49135.2145.9580000121.5
1992I29.1Very low26.9Very low152 Ų152144.1 Ų144.178%0.77976%0.764SS**  cis-155.81648-117.4159.8000111.9
1993S27.4Very low26.9Very low96 Ų96145 Ų14567%0.67179%0.785SS**  trans-56.1141.3175.644.40000115.1
1994K26.2Very low26.9Very low202 Ų202147.2 Ų147.288%0.87879%0.789SS**  70.9152.372.8-90.4-164.7175.7-1770115.7
1995P41.2Very low26.9Very low113 Ų113149.1 Ų149.173%0.73479%0.789SS**  trans-123.3177.4-14743.8-32.8000117.7
1996N27.4Very low26.9Very low159 Ų159148.3 Ų148.385%0.8579%0.786SS**  trans85.6149.8155.1-115.1-2.9000120.3
1997I25.9Very low27.2Very low149 Ų149147.6 Ų147.676%0.76479%0.788SS**  trans80.596.4173.9-53.1179.8000118
1998S24.6Very low27.4Very low96 Ų96147.7 Ų147.767%0.67179%0.789SS**  trans20.7145.2142.972.80000124.5
1999T25.8Very low27.7Very low114 Ų114150.9 Ų150.970%0.69980%0.796SS**  trans109.6103.3137.9-51.90000119.2
2000I27.2Very low27.9Very low137 Ų137149.1 Ų149.170%0.70379%0.794SS**  trans49.4107.6145.6-46167.1000119.8
2001Y24.3Very low27.7Very low201 Ų201148.3 Ų148.379%0.78879%0.794SS**  176.4140.9109.3-112.1-68000113.5
2002N25.5Very low27.6Very low141 Ų141150.7 Ų150.775%0.75480%0.799SS**  trans44.690.1159.6-66.1-14.7000120.1
2003L26.7Very low27.5Very low248 Ų248150.5 Ų150.5100%1.29880%0.801SS**  -163.20106.7-112.6163.5000111.3

Retrieved 2,003 of 2,003 residues in 539.1 ms (Link to these results)

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