A0A077Z435_TRITR Loading...

T complex protein 1 subunit zeta

AlphaFold DB , UniProt , Accession A0A077Z435, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 2,678 aa.

>A0A077Z435_TRITR|A0A077Z435
MRLLRSLWRILRSYTREQVVRAAWRCLSKLGGENRRLLRDPEMVEESIVTTELPQVVFFGPYDPTEGSSAPRFRISLPKIVENCCSLLSRQHLDITIKRHAVATLHVYVRLSFGLSMEWTGNQQEDNSGQTGSMPANAAMDSDSHKTFNYADSNNWLTAALVGLFSAAGDQDELSEKVAQFLKALMKQCTLETLQGGSETNKRSANLELILKAVFRVLKTKSDHVYPVALSCLKSYFEIAYESLGDWEKVLETPFACYVTETAMTLCLSNRPEAKVGSCFALNSLLETLPTDWALKNLERIFSCIISVQNEIDVETCGIAKRHATVTLENLMNKIGSELAREDSCPTEVASVVRLAIRHMVSCIPSIRETAMSTIRSLSNSSRISVVSLLLAERAVIDEIFEVPSCRIDLKSVPAQIAYLEGLTFICEERQPIFSFGDSPEVVNFLLRIAALLGMEESAAGGEDDFLLLQRRQPKGVPTILRWETVHLTSNLRLAALKALYTIYKFVSDRTQQMLANLLLNNVVGAHEGLQKEAFACLKHLIESRMVSTEILRSADQRLSRLYGSVRKWSLKEVRQVNYLIQLCRSHMPVAVQQLIVEYLKKFTVDMESNLTLVASEHTASDDRKVLDGVIEIFCHLSSVDGSTVDALAELVLEMETKIEKCTVNPLRQSFLSFAEKFSSQVVEWFLIKNGLKSPSVICLYRWLLKQRDASCFRSEISKQSNVLLQLMSSANLLKSQLPKDREMAILEIEAAVIYSFWKLSKTNVAWLLEHPIILEEVRKMWNSPGFSARYGNELAYFSFWKVPKWMVKVMLVYFRADPSNVNLLMELLSCLNSKFLCNFEFFRHYLREELANTGSVEWKRSLFFRFLHSWSPNTPKMNTLLTLLREVILPSFLVSFEKGEAEQLIQGPSEAAGGPDSNIVYVFAKSFLENYGEQKRLDHLQLALFQLSIMFVKYVPCHIFDPSKRNGEGKNSPNLLRPFLMFAWNYMEETPPKDPLLRCHGQVLIAYIVWKFNVKTFVIQQMLPHLVSSFSKEPRPINSQVLSITLRAILRQEEEGRKQLLDSFKELLVANHSEFNCFPETFMLFLRFPIFCFTLRNELMPFLVLTVSTVLHSACLDAFDTKKAAFEAVNMVMKWEIARRKLLSCNDGTATSKELRDFDKEHLNSLVYALLHQWTMLQQRMQVLSKASGSPHSVIADLERLSMQCTSVIKRMLSEEFFGNTVDLNLHAWLLDVLLSSKNANNSDEDAISAHLDLLAIVFGFLPCERVVPTLRTVVDGIAACLHSTHPKAVCSTVKVLTKLHCVFALAGQDFSTVLSETFCSLKTELVSVLSHEIATLSNPRIINRFISLLKNVSSTGSSLTITFAEPLVNAMEQLARLNANQTTPEGKRRSELLMWCLDITKSMVQSLSLKLQKKLVQNVLTVLVENMENFRVLGTIILLVDHWIQVTSGSVGKGELTLDFQIFLLKLVNCVDQKIPFDSEVRKVHYSLVERIKRYLPGLMVELNDKVMGAILAGLASQDEELRSNLFAIYNRELPKTAFERLFHLLTYIIWEPLQPYNWIKQCVELMLGCVELDQPLCLVISSPSSSNAAVDWSTSSIPAKNFLPHLFYLNHGSDAVAYSMWMDCFKSLWSSFSVQQKEGISRALNYFLLNGSHSASRDSGKHVIKTLVDALRGLEPPVAIDPSTYRYVGKAQNAWHTCALLLEEMTPYCGPSPMQAVVPFSRVEQLEILDAFSNLLSTLGETDLSTAVWMRKSSDEALRQGMLWDQHGQFEKSREHYLNTIKLREQSDASNGKEPGRWVFDHHEMVEHFYCACEQLGKWKDVHTLSVRPPEDPMHALESSWRIDNLENVQSHFETIENNCPKEWMLKSALYRGYLSFRTSEQQDGKSIEENVQTCTSLLIKEWRYLPSIFGPGHLKMLRLGQLALELSEASEYHVQLLRLTSGYQTSTVDLKNLQRLWGSPLRNETNILCDDSIHVSSVLTWRIRYLSILESLTSPSDLRSTQRISDMKAKALLVAAKAARKLNMLSFADDCLGNFRVLHYATPKDVGTWIKECALMQMAKAKGLRSVNEMAYPLLQATLMINEAEHDFIPAESNAELFSAQGVMYSMLRQLPQLFELLCARRFFIVANLIGHVAEEFPESVLCHLQIYRSSASGEADEEVVAALEKIHKHVAVTYPVLSSAFADFSKRLICEVANEDSMERLLRQVYDLVECIYDAAFLHQNDSLESEMTNVFSILSSVRQTLATSADNFPESWAQAACDLETVLASAGNVSSIIHAAVVLKNAITTHWQRRNRSIPLIDRSAQLSLFTVGVAELDIPHMWISPTKSAFRPKIARVLPGFDIITYGNVVCKRIHISGTDGKVYSYMLIENESLKNVQSKCRLSQCFHGFNKLLRQDQDSVSRNLQFELPDAIPLGPHHTLILCNTQTKSILSLFAEAFQRGNHSLDDLVVGYYEGMENWERTNKLYHAALRKAYKSVQESLVVKNAFKEQMMLRFPVATDYFSFRKQVCYDVGLLNFAQYFLFLSPFYLEHLMISMSSGFVSTFHQLFDFNQAGEMNQNRPIPFRLTPCISEFLAIGIQGYSLPAMVAGARVLQSHSCVEWIRLFLQSEHTLKLPNISEEYRQQLIGKNLKAIEARLHELANVETGDSRAMTLIGSAQAVDNLCRMNPSWFPWL
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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
1M58.3Low75.6Confident59 Ų5974 Ų7429%0.29133%0.331SS..  0-62.50-68.7-51.4-85.900115.2L3 L4 R5 W8 L37 L38M1-L3 PolarHBondContact O-N 3.4Å; M1-L3 VanDerWaalsContact O-N 3.12Å; M1-L4 PolarHBondContact O-N 3.1Å; M1-L4 HydrophobicContact SD-CD1 4.07Å; M1-R5 PolarHBondContact O-N 3.18Å; M1-W8 HydrophobicContact CE-CH2 4.46Å; M1-L37 HydrophobicContact SD-CB 4.37Å; M1-L38 HydrophobicContact CE-CD2 3.85Å; M1-L38 HydrophobicContact SD-CD2 4.1Å
2R64.5Low75.5Confident219 Ų21972.3 Ų72.383%0.82632%0.32SS*.Hα-helixtrans-50-41.8-179.9-74.6-175.5-179.1163.90.4113.5R5 S6R2-R5 PolarHBondContact O-N 3.21Å; R2-S6 PolarHBondContact O-N 2.87Å; R2-S6 PolarHBondContact O-OG 3.24Å
3L75.7Confident75.3Confident124 Ų12469.8 Ų69.865%0.64932%0.317SS*.Hα-helixtrans-65.9-39.2177.7-163.7144000113.4M1 S6 L7M1-L3 PolarHBondContact O-N 3.4Å; M1-L3 VanDerWaalsContact O-N 3.12Å; L3-S6 WeakPolarHBondContact CA-OG 3.22Å; L3-S6 PolarHBondContact O-N 3.26Å; L3-S6 PolarHBondContact O-OG 3.21Å; L3-L7 HydrophobicContact CD2-CD1 3.82Å; L3-L7 HydrophobicContact CD2-CG 4.36Å; L3-L7 WeakPolarHBondContact O-CG 3.48Å; L3-L7 PolarHBondContact O-N 3.27Å
4L76.7Confident74.8Confident7 Ų769.9 Ų69.94%0.03731%0.314CS..Hα-helixtrans-65.3-42.5174.4-70.1172.9000111M1 S6 L7 W8 L27 L30 L37 L38M1-L4 PolarHBondContact O-N 3.1Å; M1-L4 HydrophobicContact SD-CD1 4.07Å; L4-S6 VanDerWaalsContact C-N 3.33Å; L4-S6 PolarHBondContact O-N 3.01Å; L4-L7 WeakPolarHBondContact O-CB 3.36Å; L4-L7 PolarHBondContact O-N 2.72Å; L4-W8 HydrophobicContact CB-CH2 4.15Å; L4-W8 HydrophobicContact CB-CZ2 3.85Å; L4-W8 HydrophobicContact CD1-CZ2 4.47Å; L4-W8 VanDerWaalsContact O-CG 3.27Å; L4-W8 PolarHBondContact O-N 3.33Å; L4-L27 HydrophobicContact CD2-CD2 3.59Å; L4-L30 HydrophobicContact CD2-CD1 4.49Å; L4-L37 HydrophobicContact CD1-CB 3.96Å; L4-L37 HydrophobicContact CD1-CD1 4.07Å; L4-L38 HydrophobicContact CD1-CD2 4.47Å
5R72.5Confident74.2Confident60 Ų6073.7 Ų73.723%0.22635%0.345CS..Hα-helixtrans-60.1-40.9175.5-66.7-175.8-172.7164.45112.2M1 R2 W8 R9M1-R5 PolarHBondContact O-N 3.18Å; R2-R5 PolarHBondContact O-N 3.21Å; R5-W8 HydrophobicContact CB-CE3 4.49Å; R5-W8 HydrophobicContact CG-CE3 4.12Å; R5-W8 HydrophobicContact CG-CZ3 3.94Å; R5-W8 PolarHBondContact O-N 3.42Å; R5-R9 WeakPolarHBondContact O-CG 3.47Å; R5-R9 PolarHBondContact O-N 3.3Å
6S76.9Confident74.4Confident56 Ų5679.8 Ų79.839%0.39236%0.364SS..Hα-helixtrans-64.2-39.8173.448.40000112.4R2 L3 L4 R9 I10R2-S6 PolarHBondContact O-N 2.87Å; R2-S6 PolarHBondContact O-OG 3.24Å; L3-S6 WeakPolarHBondContact CA-OG 3.22Å; L3-S6 PolarHBondContact O-N 3.26Å; L3-S6 PolarHBondContact O-OG 3.21Å; L4-S6 VanDerWaalsContact C-N 3.33Å; L4-S6 PolarHBondContact O-N 3.01Å; S6-R9 PolarHBondContact O-N 3.03Å; S6-I10 VanDerWaalsContact O-CG1 3.26Å; S6-I10 WeakPolarHBondContact O-CG1 3.48Å; S6-I10 PolarHBondContact O-N 3.18Å
7L82.4Confident74.6Confident29 Ų2980.7 Ų80.715%0.15237%0.369CS..Hα-helixtrans-64-41.4175.3-70.3171.9000111.7L3 L4 I10 L11 A23 L27L3-L7 HydrophobicContact CD2-CD1 3.82Å; L3-L7 HydrophobicContact CD2-CG 4.36Å; L3-L7 WeakPolarHBondContact O-CG 3.48Å; L3-L7 PolarHBondContact O-N 3.27Å; L4-L7 WeakPolarHBondContact O-CB 3.36Å; L4-L7 PolarHBondContact O-N 2.72Å; L7-I10 HydrophobicContact CD2-CD1 4.48Å; L7-I10 WeakPolarHBondContact O-CB 3.31Å; L7-I10 PolarHBondContact O-N 3.22Å; L7-L11 WeakPolarHBondContact O-CG 3.47Å; L7-L11 PolarHBondContact O-N 3.03Å; L7-A23 HydrophobicContact CD2-CB 3.98Å; L7-L27 HydrophobicContact CB-CD1 4.34Å; L7-L27 HydrophobicContact CD1-CD2 4.08Å; L7-L27 HydrophobicContact CD1-CG 4.34Å
8W80.2Confident74.9Confident13 Ų1385.5 Ų85.55%0.04939%0.391CS..Hα-helixtrans-66.7-37.2176.4-57.7-30.2000113.1M1 L4 R5 I10 L11 L38 E42 W1906 F1913M1-W8 HydrophobicContact CE-CH2 4.46Å; L4-W8 HydrophobicContact CB-CH2 4.15Å; L4-W8 HydrophobicContact CB-CZ2 3.85Å; L4-W8 HydrophobicContact CD1-CZ2 4.47Å; L4-W8 VanDerWaalsContact O-CG 3.27Å; L4-W8 PolarHBondContact O-N 3.33Å; R5-W8 HydrophobicContact CB-CE3 4.49Å; R5-W8 HydrophobicContact CG-CE3 4.12Å; R5-W8 HydrophobicContact CG-CZ3 3.94Å; R5-W8 PolarHBondContact O-N 3.42Å; W8-I10 VanDerWaalsContact C-N 3.3Å; W8-I10 PolarHBondContact O-N 3.21Å; W8-L11 PolarHBondContact O-N 3.35Å; W8-L38 HydrophobicContact CH2-CD2 3.32Å; W8-L38 HydrophobicContact CZ2-CD2 3.6Å; W8-E42 VanDerWaalsContact CZ3-OE1 3.26Å; W8-E42 WeakPolarHBondContact CZ3-OE1 3.48Å; W8-W1906 HydrophobicContact CB-CZ2 4.42Å; W8-W1906 AromaticContact CD1-CZ2 3.63Å; W8-W1906 HydrophobicContact CG-CZ2 4.04Å; W8-F1913 HydrophobicContact CE3-CB 4.33Å; W8-F1913 HydrophobicContact CH2-CB 4.13Å; W8-F1913 HydrophobicContact CH2-CD2 4.15Å; W8-F1913 HydrophobicContact CH2-CG 4.18Å; W8-F1913 AromaticContact CZ2-CD2 3.9Å; W8-F1913 HydrophobicContact CZ2-CD2 3.9Å; W8-F1913 HydrophobicContact CZ2-CE2 4.42Å; W8-F1913 HydrophobicContact CZ2-CG 4.39Å; W8-F1913 HydrophobicContact CZ3-CB 3.92Å; W8-F1913 HydrophobicContact CZ3-CG 4.44Å
9R77.4Confident75.4Confident185 Ų18584.7 Ų84.770%0.69839%0.394SS*.Hα-helixtrans-62-38.8170.8-73.8-180-177175.2-1.4111.4R5 S6 R12R5-R9 WeakPolarHBondContact O-CG 3.47Å; R5-R9 PolarHBondContact O-N 3.3Å; S6-R9 PolarHBondContact O-N 3.03Å; R9-R12 PolarHBondContact O-N 3.37Å
10I84.6Confident75.8Confident61 Ų6180.6 Ų80.631%0.31337%0.374SS..Hα-helixtrans-63.1-43.1175.8-70.7163.8000111.1S6 L7 W8 R12 S13 V19 V20 A23S6-I10 VanDerWaalsContact O-CG1 3.26Å; S6-I10 WeakPolarHBondContact O-CG1 3.48Å; S6-I10 PolarHBondContact O-N 3.18Å; L7-I10 HydrophobicContact CD2-CD1 4.48Å; L7-I10 WeakPolarHBondContact O-CB 3.31Å; L7-I10 PolarHBondContact O-N 3.22Å; W8-I10 VanDerWaalsContact C-N 3.3Å; W8-I10 PolarHBondContact O-N 3.21Å; I10-R12 PolarHBondContact O-N 3.17Å; I10-R12 VanDerWaalsContact O-N 3.09Å; I10-S13 WeakPolarHBondContact O-CB 3.35Å; I10-S13 PolarHBondContact O-N 3.37Å; I10-V19 HydrophobicContact CG2-CG1 3.82Å; I10-V20 WeakPolarHBondContact O-CG2 3.46Å; I10-A23 HydrophobicContact CG2-CB 4.01Å
11L82Confident76.3Confident1 Ų182.1 Ų82.11%0.00538%0.377CS..Hα-helixtrans-58.3-25.2-179.7-69.9177.5000114L7 W8 V20 A23 W24 L27 W1906 R1907L7-L11 WeakPolarHBondContact O-CG 3.47Å; L7-L11 PolarHBondContact O-N 3.03Å; W8-L11 PolarHBondContact O-N 3.35Å; L11-V20 HydrophobicContact CD2-CG1 3.96Å; L11-V20 WeakPolarHBondContact CD2-O 3.27Å; L11-A23 HydrophobicContact CD2-CB 4.11Å; L11-W24 HydrophobicContact CD1-CE3 3.72Å; L11-W24 HydrophobicContact CD1-CZ3 3.99Å; L11-W24 HydrophobicContact CD2-CB 3.96Å; L11-W24 HydrophobicContact CD2-CE3 3.92Å; L11-W24 HydrophobicContact CG-CE3 4.47Å; L11-L27 HydrophobicContact CD1-CD1 3.65Å; L11-L27 HydrophobicContact CG-CD1 4.43Å; L11-W1906 HydrophobicContact CD1-CD2 4.21Å; L11-W1906 HydrophobicContact CD1-CG 4.47Å; L11-W1906 HydrophobicContact CD1-CZ2 4.08Å; L11-R1907 PolarHBondContact O-NE 3.28Å
12R75.1Confident77.5Confident53 Ų5381.9 Ų81.920%0.238%0.384CS..THydrogen-bonded Turntrans-83.5-10.3177.8-67.1176.1174.7-97.3-25.7114R9 I10 Y14 L1909 P1910 S1911R9-R12 PolarHBondContact O-N 3.37Å; I10-R12 PolarHBondContact O-N 3.17Å; I10-R12 VanDerWaalsContact O-N 3.09Å; R12-Y14 VanDerWaalsContact O-CD2 3.23Å; R12-Y14 WeakPolarHBondContact O-CD2 3.28Å; R12-Y14 VanDerWaalsContact O-CE2 3.3Å; R12-Y14 WeakPolarHBondContact O-CE2 3.28Å; R12-L1909 PolarHBondContact NH2-O 3.3Å; R12-P1910 PolarHBondContact NH2-O 3.39Å; R12-S1911 VanDerWaalsContact NH1-CA 3.35Å
13S72.1Confident78.5Confident40 Ų4071.8 Ų71.828%0.2835%0.347SS..  trans-72.4130.4178.3-179.40000111.5I10 T15 V20 R1907I10-S13 WeakPolarHBondContact O-CB 3.35Å; I10-S13 PolarHBondContact O-N 3.37Å; S13-T15 PolarHBondContact OG-OG1 2.87Å; S13-V20 WeakPolarHBondContact O-CG2 3.44Å; S13-R1907 PolarHBondContact O-NH2 3.34Å
14Y68.2Low79.1Confident72 Ų7266.1 Ų66.128%0.28232%0.318SS..SBendtrans-90.7-19.5178.2-67.5-96.3000112.9R12 D1661R12-Y14 VanDerWaalsContact O-CD2 3.23Å; R12-Y14 WeakPolarHBondContact O-CD2 3.28Å; R12-Y14 VanDerWaalsContact O-CE2 3.3Å; R12-Y14 WeakPolarHBondContact O-CE2 3.28Å; Y14-D1661 WeakPolarHBondContact CD1-O 3.29Å; Y14-D1661 WeakPolarHBondContact CE1-O 3.29Å
15T66.5Low79.4Confident126 Ų12671.1 Ų71.177%0.77334%0.336SS*.SBendtrans-86.1-15.6-172.1560000114.3S13S13-T15 PolarHBondContact OG-OG1 2.87Å
16R76.9Confident80Confident172 Ų17271.6 Ų71.665%0.64935%0.348SS*.  trans-131.462.3-173.5-63.8-174.2-178.6178.40.2112.8Q18 V19 V20R16-Q18 PolarHBondContact O-N 3.42Å; R16-Q18 VanDerWaalsContact O-N 3.13Å; R16-V19 HydrophobicContact CB-CB 4.24Å; R16-V19 HydrophobicContact CB-CG2 4.14Å; R16-V19 PolarHBondContact O-N 3.38Å; R16-V20 WeakPolarHBondContact O-CG2 3.49Å; R16-V20 PolarHBondContact O-N 3.49Å; R16-V20 VanDerWaalsContact O-N 3.13Å
17E77.5Confident80.2Confident95 Ų9569 Ų6944%0.44433%0.329SS..Hα-helixtrans-55.9-32.5-176.5-67.8-159149.300114.5V20 R21E17-V20 WeakPolarHBondContact O-CB 3.4Å; E17-V20 PolarHBondContact O-N 3.05Å; E17-R21 WeakPolarHBondContact O-CG 3.29Å; E17-R21 PolarHBondContact O-N 3.36Å; E17-R21 IonicContact OE2-CZ 2.72Å; E17-R21 IonicContact OE2-NH1 3.57Å; E17-R21 PolarHBondContact OE2-NH1 3.08Å; E17-R21 IonicContact OE2-NH2 3.95Å; E17-R21 PolarHBondContact OE2-NH2 3.38Å
18Q79.9Confident80.3Confident167 Ų16767.8 Ų67.878%0.7832%0.323SS*.Hα-helixtrans-63.7-42.9177-72-179-11.800112.3R16 V20 R21 A22R16-Q18 PolarHBondContact O-N 3.42Å; R16-Q18 VanDerWaalsContact O-N 3.13Å; Q18-V20 VanDerWaalsContact C-N 3.33Å; Q18-R21 PolarHBondContact O-N 3.44Å; Q18-A22 WeakPolarHBondContact O-CB 3.29Å; Q18-A22 PolarHBondContact O-N 3.28Å
19V84.8Confident80.3Confident71 Ų7172.3 Ų72.343%0.4334%0.343SS..Hα-helixtrans-69-36.1177.7-174.40000110.3I10 R16 A22 A23I10-V19 HydrophobicContact CG2-CG1 3.82Å; R16-V19 HydrophobicContact CB-CB 4.24Å; R16-V19 HydrophobicContact CB-CG2 4.14Å; R16-V19 PolarHBondContact O-N 3.38Å; V19-A22 PolarHBondContact O-N 3.12Å; V19-A23 WeakPolarHBondContact O-CB 3.45Å; V19-A23 PolarHBondContact O-N 3.43Å
20V84.6Confident80.1Confident2 Ų267.1 Ų67.11%0.01233%0.329CS..Hα-helixtrans-61.5-49.7174.2173.80000111I10 L11 S13 R16 E17 Q18 A22 A23 W24 I1903I10-V20 WeakPolarHBondContact O-CG2 3.46Å; L11-V20 HydrophobicContact CD2-CG1 3.96Å; L11-V20 WeakPolarHBondContact CD2-O 3.27Å; S13-V20 WeakPolarHBondContact O-CG2 3.44Å; R16-V20 WeakPolarHBondContact O-CG2 3.49Å; R16-V20 PolarHBondContact O-N 3.49Å; R16-V20 VanDerWaalsContact O-N 3.13Å; E17-V20 WeakPolarHBondContact O-CB 3.4Å; E17-V20 PolarHBondContact O-N 3.05Å; Q18-V20 VanDerWaalsContact C-N 3.33Å; V20-A22 VanDerWaalsContact C-N 3.31Å; V20-A22 PolarHBondContact O-N 3.29Å; V20-A23 PolarHBondContact O-N 2.92Å; V20-W24 WeakPolarHBondContact O-CB 3.5Å; V20-W24 PolarHBondContact O-N 3.4Å; V20-I1903 HydrophobicContact CG1-CD1 3.99Å; V20-I1903 HydrophobicContact CG1-CG1 4.26Å; V20-I1903 HydrophobicContact CG1-CG2 3.73Å
21R84.8Confident79.7Confident113 Ų11364.2 Ų64.243%0.42631%0.314SS..Hα-helixtrans-61.5-39.3177-70.9-177.2-172.498.36.4111.7E17 Q18 W24 R25 I1903E17-R21 WeakPolarHBondContact O-CG 3.29Å; E17-R21 PolarHBondContact O-N 3.36Å; E17-R21 IonicContact OE2-CZ 2.72Å; E17-R21 IonicContact OE2-NH1 3.57Å; E17-R21 PolarHBondContact OE2-NH1 3.08Å; E17-R21 IonicContact OE2-NH2 3.95Å; E17-R21 PolarHBondContact OE2-NH2 3.38Å; Q18-R21 PolarHBondContact O-N 3.44Å; R21-W24 PolarHBondContact O-N 2.92Å; R21-R25 WeakPolarHBondContact O-CB 3.28Å; R21-R25 PolarHBondContact O-N 2.88Å; R21-I1903 HydrophobicContact CG-CD1 4.15Å
22A84.5Confident79.2Confident54 Ų5464.5 Ų64.545%0.44632%0.317SS..Hα-helixtrans-64.9-45.8175.300000112.2Q18 V19 V20 W24 R25 C26Q18-A22 WeakPolarHBondContact O-CB 3.29Å; Q18-A22 PolarHBondContact O-N 3.28Å; V19-A22 PolarHBondContact O-N 3.12Å; V20-A22 VanDerWaalsContact C-N 3.31Å; V20-A22 PolarHBondContact O-N 3.29Å; A22-W24 VanDerWaalsContact C-N 3.34Å; A22-W24 PolarHBondContact O-N 3.5Å; A22-R25 PolarHBondContact O-N 2.95Å; A22-C26 PolarHBondContact O-N 3.47Å; A22-C26 PolarHBondContact O-SG 3.21Å; A22-C26 VanDerWaalsContact O-SG 3.37Å
23A85.9Confident79.1Confident6 Ų663.6 Ų63.65%0.0532%0.315CS..Hα-helixtrans-61.2-41.8175.900000111.8L7 I10 L11 V19 V20 C26 L27L7-A23 HydrophobicContact CD2-CB 3.98Å; I10-A23 HydrophobicContact CG2-CB 4.01Å; L11-A23 HydrophobicContact CD2-CB 4.11Å; V19-A23 WeakPolarHBondContact O-CB 3.45Å; V19-A23 PolarHBondContact O-N 3.43Å; V20-A23 PolarHBondContact O-N 2.92Å; A23-C26 WeakPolarHBondContact O-CB 3.48Å; A23-C26 PolarHBondContact O-N 3.47Å; A23-L27 WeakPolarHBondContact O-CG 3.25Å; A23-L27 PolarHBondContact O-N 3.4Å
24W87.5Confident79.2Confident6 Ų661.8 Ų61.82%0.02330%0.302CS..Hα-helixtrans-60.8-47.5174.1-170.2-101.1000111.1L11 V20 R21 A22 C26 L27 S28 L1902 I1903 W1906 M1920 L1921L11-W24 HydrophobicContact CD1-CE3 3.72Å; L11-W24 HydrophobicContact CD1-CZ3 3.99Å; L11-W24 HydrophobicContact CD2-CB 3.96Å; L11-W24 HydrophobicContact CD2-CE3 3.92Å; L11-W24 HydrophobicContact CG-CE3 4.47Å; V20-W24 WeakPolarHBondContact O-CB 3.5Å; V20-W24 PolarHBondContact O-N 3.4Å; R21-W24 PolarHBondContact O-N 2.92Å; A22-W24 VanDerWaalsContact C-N 3.34Å; A22-W24 PolarHBondContact O-N 3.5Å; W24-C26 VanDerWaalsContact C-N 3.32Å; W24-C26 PolarHBondContact O-N 3.41Å; W24-L27 PolarHBondContact O-N 2.97Å; W24-S28 PolarHBondContact O-N 2.88Å; W24-S28 PolarHBondContact O-OG 3.43Å; W24-L1902 HydrophobicContact CH2-CB 4.42Å; W24-L1902 HydrophobicContact CZ2-CB 3.79Å; W24-L1902 HydrophobicContact CZ2-CD1 4.01Å; W24-L1902 HydrophobicContact CZ2-CD2 4.38Å; W24-L1902 HydrophobicContact CZ2-CG 4.29Å; W24-I1903 HydrophobicContact CB-CD1 4.49Å; W24-I1903 HydrophobicContact CD2-CG1 4.35Å; W24-I1903 HydrophobicContact CG-CG1 4.36Å; W24-W1906 AromaticContact CH2-CE3 3.87Å; W24-W1906 HydrophobicContact CH2-CE3 3.87Å; W24-W1906 HydrophobicContact CH2-CZ3 4.42Å; W24-W1906 HydrophobicContact CZ3-CB 4.37Å; W24-W1906 AromaticContact CZ3-CD2 3.86Å; W24-W1906 HydrophobicContact CZ3-CD2 3.86Å; W24-W1906 AromaticContact CZ3-CE3 3.59Å; W24-W1906 HydrophobicContact CZ3-CE3 3.59Å; W24-W1906 HydrophobicContact CZ3-CG 4.21Å; W24-W1906 HydrophobicContact CZ3-CZ3 4.18Å; W24-M1920 HydrophobicContact CH2-CB 4.21Å; W24-L1921 HydrophobicContact CH2-CD2 4.46Å; W24-L1921 HydrophobicContact CZ3-CD2 4.49Å
25R83.9Confident79.5Confident112 Ų11259.2 Ų59.242%0.42329%0.292SS..Hα-helixtrans-60.7-39.3176.6-165.1174.2-173.6170.81.2112R21 A22 K29 L1928 E1935R21-R25 WeakPolarHBondContact O-CB 3.28Å; R21-R25 PolarHBondContact O-N 2.88Å; A22-R25 PolarHBondContact O-N 2.95Å; R25-K29 WeakPolarHBondContact O-CB 3.29Å; R25-K29 VanDerWaalsContact O-CG 3.28Å; R25-K29 WeakPolarHBondContact O-CG 3.37Å; R25-K29 PolarHBondContact O-N 2.83Å; R25-L1928 HydrophobicContact CG-CD1 4.11Å; R25-E1935 IonicContact NH2-OE1 3.79Å
26C84Confident79.6Confident70 Ų7057.1 Ų57.147%0.47327%0.27SS..Hα-helixtrans-62.8-45.7174.3-73.50000112A22 A23 W24 K29 L30A22-C26 PolarHBondContact O-N 3.47Å; A22-C26 PolarHBondContact O-SG 3.21Å; A22-C26 VanDerWaalsContact O-SG 3.37Å; A23-C26 WeakPolarHBondContact O-CB 3.48Å; A23-C26 PolarHBondContact O-N 3.47Å; W24-C26 VanDerWaalsContact C-N 3.32Å; W24-C26 PolarHBondContact O-N 3.41Å; C26-K29 PolarHBondContact O-N 3.04Å; C26-L30 PolarHBondContact O-N 3.1Å
27L82.3Confident79.1Confident1 Ų152.9 Ų52.91%0.00526%0.26CS..Hα-helixtrans-65-41.5177.8-73.7168000112L4 L7 L11 A23 W24 K29 L30 N34 L1921L4-L27 HydrophobicContact CD2-CD2 3.59Å; L7-L27 HydrophobicContact CB-CD1 4.34Å; L7-L27 HydrophobicContact CD1-CD2 4.08Å; L7-L27 HydrophobicContact CD1-CG 4.34Å; L11-L27 HydrophobicContact CD1-CD1 3.65Å; L11-L27 HydrophobicContact CG-CD1 4.43Å; A23-L27 WeakPolarHBondContact O-CG 3.25Å; A23-L27 PolarHBondContact O-N 3.4Å; W24-L27 PolarHBondContact O-N 2.97Å; L27-K29 VanDerWaalsContact C-N 3.35Å; L27-L30 PolarHBondContact O-N 3.4Å; L27-N34 PolarHBondContact O-ND2 3.13Å; L27-L1921 HydrophobicContact CB-CD2 4.47Å
28S83.2Confident78.6Confident3 Ų349.8 Ų49.82%0.02125%0.246CC..Hα-helixtrans-65.2-36.8175.9-64.50000112.3W24 L30 G31 G1924 L1928W24-S28 PolarHBondContact O-N 2.88Å; W24-S28 PolarHBondContact O-OG 3.43Å; S28-L30 PolarHBondContact O-N 3.12Å; S28-G31 PolarHBondContact O-N 3.21Å; S28-G31 VanDerWaalsContact O-N 3.14Å; S28-G1924 WeakPolarHBondContact CB-O 3.26Å; S28-G1924 PolarHBondContact OG-O 3.35Å; S28-L1928 VanDerWaalsContact C-CD2 3.47Å
29K79.8Confident77.7Confident108 Ų10845.6 Ų45.647%0.4722%0.223SC..Hα-helixtrans-63.4-29.7179.6-83.8180177.3-171.60113.4R25 C26 L27 G31 L1928R25-K29 WeakPolarHBondContact O-CB 3.29Å; R25-K29 VanDerWaalsContact O-CG 3.28Å; R25-K29 WeakPolarHBondContact O-CG 3.37Å; R25-K29 PolarHBondContact O-N 2.83Å; C26-K29 PolarHBondContact O-N 3.04Å; L27-K29 VanDerWaalsContact C-N 3.35Å; K29-G31 PolarHBondContact O-N 3.28Å; K29-L1928 HydrophobicContact CB-CD2 4.21Å; K29-L1928 HydrophobicContact CG-CD2 3.64Å
30L74.9Confident76.4Confident76 Ų7646.5 Ų46.540%0.39823%0.226SC..THydrogen-bonded Turntrans-68.6-16.1177.7-68.3172.2000113.2L4 C26 L27 S28 G32 E33 N34L4-L30 HydrophobicContact CD2-CD1 4.49Å; C26-L30 PolarHBondContact O-N 3.1Å; L27-L30 PolarHBondContact O-N 3.4Å; S28-L30 PolarHBondContact O-N 3.12Å; L30-G32 PolarHBondContact O-N 3.46Å; L30-E33 PolarHBondContact O-N 3.05Å; L30-E33 VanDerWaalsContact O-N 3.16Å; L30-N34 HydrophobicContact CB-CB 3.99Å; L30-N34 HydrophobicContact CD1-CB 4.25Å
31G75.2Confident75.2Confident0 Ų047.6 Ų47.60%023%0.233CC..THydrogen-bonded Turntrans54.4-125.3179.400000111.6S28 K29 E33 N34 R35S28-G31 PolarHBondContact O-N 3.21Å; S28-G31 VanDerWaalsContact O-N 3.14Å; K29-G31 PolarHBondContact O-N 3.28Å; G31-E33 VanDerWaalsContact C-N 3.32Å; G31-E33 PolarHBondContact O-N 3.31Å; G31-N34 PolarHBondContact O-ND2 3.46Å; G31-N34 PolarHBondContact O-OD1 3Å; G31-R35 VanDerWaalsContact C-NH1 3.28Å; G31-R35 PolarHBondContact O-NH1 3.12Å
32G71.6Confident74Confident7 Ų744.1 Ų44.17%0.07222%0.222CC..THydrogen-bonded Turntrans-62.1-26.7179.200000116.6L30 N34 R35 R36L30-G32 PolarHBondContact O-N 3.46Å; G32-N34 VanDerWaalsContact C-N 3.33Å; G32-N34 PolarHBondContact O-N 3.5Å; G32-R35 WeakPolarHBondContact O-CG 3.35Å; G32-R35 PolarHBondContact O-N 3.24Å; G32-R36 PolarHBondContact O-N 3.13Å
33E72.4Confident73Confident35 Ų3546.1 Ų46.116%0.16422%0.223CC..Hα-helixtrans-72.7-27-173.7-76.9-68.7153.100112.7L30 G31 R35 R36 L37 L1965 T1969L30-E33 PolarHBondContact O-N 3.05Å; L30-E33 VanDerWaalsContact O-N 3.16Å; G31-E33 VanDerWaalsContact C-N 3.32Å; G31-E33 PolarHBondContact O-N 3.31Å; E33-R35 PolarHBondContact O-N 3.09Å; E33-R36 PolarHBondContact O-N 3.3Å; E33-R36 VanDerWaalsContact OE1-CD 3.26Å; E33-R36 WeakPolarHBondContact OE1-CD 3.16Å; E33-R36 IonicContact OE1-CZ 3.59Å; E33-R36 IonicContact OE1-NE 3.35Å; E33-R36 IonicContact OE1-NH1 2.58Å; E33-R36 PolarHBondContact OE1-NH1 3.48Å; E33-R36 WeakPolarHBondContact OE2-CD 3.3Å; E33-L37 WeakPolarHBondContact O-CD1 3.39Å; E33-L37 VanDerWaalsContact O-CG 3.31Å; E33-L37 WeakPolarHBondContact O-CG 3.48Å; E33-L37 PolarHBondContact O-N 3.05Å; E33-L1965 HydrophobicContact CG-CD2 4.31Å; E33-T1969 WeakPolarHBondContact OE1-CB 3.38Å
34N75.7Confident72.1Confident2 Ų246.2 Ų46.21%0.01122%0.223CC..Hα-helixtrans-62.2-29.3178.165.114.7000113.2L27 L30 G31 G32 L38L27-N34 PolarHBondContact O-ND2 3.13Å; L30-N34 HydrophobicContact CB-CB 3.99Å; L30-N34 HydrophobicContact CD1-CB 4.25Å; G31-N34 PolarHBondContact O-ND2 3.46Å; G31-N34 PolarHBondContact O-OD1 3Å; G32-N34 VanDerWaalsContact C-N 3.33Å; G32-N34 PolarHBondContact O-N 3.5Å; N34-L38 WeakPolarHBondContact O-CG 3.44Å
35R73.5Confident70.8Confident18 Ų1853 Ų537%0.06826%0.255CS..Hα-helixtrans-99.9-30.9-179.253.6-171.3171.9-98.615.8112.7G31 G32 E33 L37 L38 L1918 Q1925 D1974G31-R35 VanDerWaalsContact C-NH1 3.28Å; G31-R35 PolarHBondContact O-NH1 3.12Å; G32-R35 WeakPolarHBondContact O-CG 3.35Å; G32-R35 PolarHBondContact O-N 3.24Å; E33-R35 PolarHBondContact O-N 3.09Å; R35-L37 PolarHBondContact O-N 3.46Å; R35-L38 HydrophobicContact CB-CD1 4.26Å; R35-L38 VanDerWaalsContact O-CB 3.25Å; R35-L38 WeakPolarHBondContact O-CB 3.46Å; R35-L38 WeakPolarHBondContact O-CG 3.22Å; R35-L38 PolarHBondContact O-N 3.18Å; R35-L38 VanDerWaalsContact O-N 3.09Å; R35-L1918 HydrophobicContact CB-CD2 3.89Å; R35-Q1925 VanDerWaalsContact NH2-OE1 3.12Å; R35-D1974 WeakPolarHBondContact CD-OD1 3.45Å; R35-D1974 IonicContact CZ-OD1 3.49Å; R35-D1974 IonicContact CZ-OD2 3.37Å; R35-D1974 IonicContact NE-OD1 2.66Å; R35-D1974 PolarHBondContact NE-OD1 3.47Å; R35-D1974 IonicContact NE-OD2 3.67Å; R35-D1974 PolarHBondContact NE-OD2 3.29Å; R35-D1974 IonicContact NH2-OD1 2.75Å; R35-D1974 IonicContact NH2-OD2 2.87Å; R35-D1974 PolarHBondContact NH2-OD2 3.47Å
36R69.6Low69.5Low82 Ų8248.9 Ų48.931%0.30924%0.24SC..Hα-helixtrans-57-37.5171.6175.3-177.3-175.2177.6-1.6112.7G32 E33 L38 R39 N1970G32-R36 PolarHBondContact O-N 3.13Å; E33-R36 PolarHBondContact O-N 3.3Å; E33-R36 VanDerWaalsContact OE1-CD 3.26Å; E33-R36 WeakPolarHBondContact OE1-CD 3.16Å; E33-R36 IonicContact OE1-CZ 3.59Å; E33-R36 IonicContact OE1-NE 3.35Å; E33-R36 IonicContact OE1-NH1 2.58Å; E33-R36 PolarHBondContact OE1-NH1 3.48Å; E33-R36 WeakPolarHBondContact OE2-CD 3.3Å; R36-L38 PolarHBondContact O-N 3.31Å; R36-R39 WeakPolarHBondContact O-CG 3.45Å; R36-R39 PolarHBondContact O-NE 2.91Å; R36-N1970 WeakPolarHBondContact CD-ND2 3.33Å; R36-N1970 WeakPolarHBondContact CG-ND2 3.45Å; R36-N1970 PolarHBondContact NE-ND2 3.02Å; R36-N1970 VanDerWaalsContact NE-ND2 3.14Å
37L66.1Low68Low82 Ų8247.5 Ų47.543%0.42923%0.232SC..THydrogen-bonded Turntrans-70.1-9.6-178.3-69.2168000112.8M1 L4 E33 R35 R39M1-L37 HydrophobicContact SD-CB 4.37Å; L4-L37 HydrophobicContact CD1-CB 3.96Å; L4-L37 HydrophobicContact CD1-CD1 4.07Å; E33-L37 WeakPolarHBondContact O-CD1 3.39Å; E33-L37 VanDerWaalsContact O-CG 3.31Å; E33-L37 WeakPolarHBondContact O-CG 3.48Å; E33-L37 PolarHBondContact O-N 3.05Å; R35-L37 PolarHBondContact O-N 3.46Å; L37-R39 PolarHBondContact O-N 3.45Å; L37-R39 VanDerWaalsContact O-N 3.17Å
38L65.6Low66.4Low31 Ų3151.6 Ų51.616%0.16225%0.253CS..THydrogen-bonded Turntrans-85.130.7-175.7-52.6179.7000114.3M1 L4 W8 N34 R35 R36 D40 F1913 L1918M1-L38 HydrophobicContact CE-CD2 3.85Å; M1-L38 HydrophobicContact SD-CD2 4.1Å; L4-L38 HydrophobicContact CD1-CD2 4.47Å; W8-L38 HydrophobicContact CH2-CD2 3.32Å; W8-L38 HydrophobicContact CZ2-CD2 3.6Å; N34-L38 WeakPolarHBondContact O-CG 3.44Å; R35-L38 HydrophobicContact CB-CD1 4.26Å; R35-L38 VanDerWaalsContact O-CB 3.25Å; R35-L38 WeakPolarHBondContact O-CB 3.46Å; R35-L38 WeakPolarHBondContact O-CG 3.22Å; R35-L38 PolarHBondContact O-N 3.18Å; R35-L38 VanDerWaalsContact O-N 3.09Å; R36-L38 PolarHBondContact O-N 3.31Å; L38-D40 VanDerWaalsContact C-N 3.31Å; L38-F1913 HydrophobicContact CD1-CD1 3.81Å; L38-F1913 HydrophobicContact CD1-CD2 4.42Å; L38-F1913 HydrophobicContact CD1-CE1 3.3Å; L38-F1913 HydrophobicContact CD1-CE2 3.94Å; L38-F1913 HydrophobicContact CD1-CG 4.35Å; L38-F1913 HydrophobicContact CD1-CZ 3.37Å; L38-L1918 HydrophobicContact CD1-CD2 4.36Å
39R60.9Low64.7Low78 Ų7852.8 Ų52.829%0.29426%0.259SS..THydrogen-bonded Turntrans-76.4-20179.7-69.2173.3-172.8-161.3-5.9113.6R36 L37 N2407R36-R39 WeakPolarHBondContact O-CG 3.45Å; R36-R39 PolarHBondContact O-NE 2.91Å; L37-R39 PolarHBondContact O-N 3.45Å; L37-R39 VanDerWaalsContact O-N 3.17Å; R39-N2407 PolarHBondContact O-ND2 3.36Å
40D58Low62.7Low91 Ų9148.4 Ų48.449%0.48724%0.242SC..SBendtrans-99.4128176.8-55.7-26000108.1L38L38-D40 VanDerWaalsContact C-N 3.31Å
41P59.5Low61.1Low25 Ų2547 Ų4716%0.16224%0.236CC..PPolyproline II helixtrans-57153.617426.3-33.7000109.8M43 Q2511 F2544P41-M43 PolarHBondContact O-N 3.24Å; P41-Q2511 HydrophobicContact CG-CG 4.26Å; P41-F2544 VanDerWaalsContact CD-CE2 3.46Å; P41-F2544 HydrophobicContact CG-CD1 4.44Å; P41-F2544 HydrophobicContact CG-CD2 4.3Å; P41-F2544 HydrophobicContact CG-CE1 3.88Å; P41-F2544 HydrophobicContact CG-CE2 3.69Å; P41-F2544 HydrophobicContact CG-CZ 3.48Å; P41-F2544 VanDerWaalsContact CG-CZ 3.48Å
42E60.7Low59.8Low40 Ų4050 Ų5019%0.18725%0.251CS..PPolyproline II helixtrans-60.5136175.5-80.2-165.8178.200110.3W8 V44 I1912 F1913W8-E42 VanDerWaalsContact CZ3-OE1 3.26Å; W8-E42 WeakPolarHBondContact CZ3-OE1 3.48Å; E42-V44 PolarHBondContact O-N 3.16Å; E42-I1912 HydrophobicContact CB-CG2 4.15Å; E42-I1912 HydrophobicContact CG-CG2 4.34Å; E42-I1912 VanDerWaalsContact OE2-CA 3.23Å; E42-I1912 WeakPolarHBondContact OE2-CA 3.48Å; E42-I1912 WeakPolarHBondContact OE2-CB 3.48Å; E42-I1912 WeakPolarHBondContact OE2-CG2 3.45Å; E42-F1913 WeakPolarHBondContact OE1-CB 3.4Å; E42-F1913 PolarHBondContact OE1-N 2.92Å; E42-F1913 VanDerWaalsContact OE1-N 3.11Å
43M62.3Low59Low96 Ų9652.1 Ų52.147%0.47326%0.26SS..  trans-71.9108.6178-64.9-75.5-83.400106.4P41 S2541P41-M43 PolarHBondContact O-N 3.24Å; M43-S2541 CarbonylContact C-O 3.39Å; M43-S2541 WeakPolarHBondContact CA-O 3.45Å; M43-S2541 WeakPolarHBondContact CE-OG 3.22Å
44V67.3Low58.5Low8 Ų851 Ų515%0.04826%0.256CS..  trans-68.9133.1172.6-167.80000108E42 E46 F2499 D2504 F2508 S2541E42-V44 PolarHBondContact O-N 3.16Å; V44-E46 PolarHBondContact O-N 3.14Å; V44-F2499 HydrophobicContact CB-CE1 4.14Å; V44-F2499 HydrophobicContact CG1-CD1 3.5Å; V44-F2499 VanDerWaalsContact CG1-CD1 3.5Å; V44-F2499 HydrophobicContact CG1-CE1 3.46Å; V44-F2499 VanDerWaalsContact CG1-CE1 3.46Å; V44-F2499 HydrophobicContact CG1-CZ 4.46Å; V44-D2504 HydrophobicContact CG1-CB 3.38Å; V44-F2508 HydrophobicContact CG2-CB 4.41Å; V44-S2541 PolarHBondContact N-O 3.35Å
45E59.4Low58.2Low148 Ų14852.8 Ų52.869%0.69226%0.264SS*.  trans-78.6105.4172.9-73.8-178.8-177.700108S47E45-S47 PolarHBondContact O-N 3.41Å
46E57.4Low58.3Low25 Ų2552 Ų5212%0.11726%0.261CS..  trans-65106.5166.4-177.2176.2-153.900108.1V44 I48 R2498 F2499 M2540V44-E46 PolarHBondContact O-N 3.14Å; E46-I48 HydrophobicContact CG-CG1 4.24Å; E46-I48 PolarHBondContact O-N 2.92Å; E46-R2498 IonicContact OE1-CZ 3.51Å; E46-R2498 IonicContact OE1-NE 3.05Å; E46-R2498 IonicContact OE1-NH1 2.89Å; E46-R2498 PolarHBondContact OE1-NH1 3.42Å; E46-F2499 HydrophobicContact CB-CE1 4.18Å; E46-M2540 HydrophobicContact CB-CB 4.43Å; E46-M2540 VanDerWaalsContact CD-CB 3.5Å; E46-M2540 HydrophobicContact CG-CB 4.39Å; E46-M2540 WeakPolarHBondContact OE2-CB 3.27Å
47S53.2Low58.6Low42 Ų4248.2 Ų48.229%0.29425%0.247SC..  trans-75.710816160.40000106.7E45 V49 R2498 P2500E45-S47 PolarHBondContact O-N 3.41Å; S47-V49 PolarHBondContact O-N 3.24Å; S47-R2498 PolarHBondContact N-O 2.75Å; S47-R2498 PolarHBondContact OG-O 3.11Å; S47-P2500 WeakPolarHBondContact OG-CD 3.19Å; S47-P2500 WeakPolarHBondContact OG-CG 3.49Å
48I48.9Very low59.1Low87 Ų8744.4 Ų44.445%0.44623%0.227SC..  trans-67.381.9176.7-57.8171.7000107.2E46 T50E46-I48 HydrophobicContact CG-CG1 4.24Å; E46-I48 PolarHBondContact O-N 2.92Å; I48-T50 VanDerWaalsContact C-N 3.28Å; I48-T50 HydrophobicContact CG2-CG2 4.45Å; I48-T50 WeakPolarHBondContact CG2-OG1 3.39Å
49V45.7Very low59.6Low27 Ų2744.5 Ų44.516%0.16423%0.226CC..  trans-100.953169.8-168.60000106.8S47 T51 L53 R2444S47-V49 PolarHBondContact O-N 3.24Å; V49-T51 VanDerWaalsContact C-N 3.27Å; V49-L53 HydrophobicContact CG1-CD1 3.98Å; V49-L53 HydrophobicContact CG1-CD2 4.2Å; V49-L53 HydrophobicContact CG1-CG 3.92Å; V49-L53 HydrophobicContact CG2-CD2 4.5Å; V49-R2444 PolarHBondContact O-NH2 2.92Å
50T38.5Very low60.1Low16 Ų1641 Ų4110%0.09821%0.214CC..  trans-79.1-12179.429.20000112.3I48 D152 R2444I48-T50 VanDerWaalsContact C-N 3.28Å; I48-T50 HydrophobicContact CG2-CG2 4.45Å; I48-T50 WeakPolarHBondContact CG2-OG1 3.39Å; T50-D152 PolarHBondContact OG1-OD2 3.25Å; T50-R2444 PolarHBondContact O-NH2 2.89Å
51T41.6Very low60.6Low47 Ų4738.4 Ų38.429%0.28820%0.202SC..SBendtrans-149151.3171.451.30000112V49 L53 N149V49-T51 VanDerWaalsContact C-N 3.27Å; T51-L53 PolarHBondContact O-N 3.25Å; T51-N149 HydrophobicContact CG2-CB 4.42Å
52E48.8Very low60.9Low64 Ų6444.2 Ų44.230%0.29922%0.222SC..  trans-30.9112.8-179.6-64.2161-162.900113.9I1583 S1584 S1585E52-I1583 HydrophobicContact CB-CG2 3.99Å; E52-I1583 WeakPolarHBondContact OE2-CG2 3.33Å; E52-S1584 VanDerWaalsContact CG-O 3.27Å; E52-S1584 WeakPolarHBondContact CG-O 3.45Å; E52-S1584 VanDerWaalsContact OE1-O 3.06Å; E52-S1584 PolarHBondContact OE2-N 2.93Å; E52-S1584 VanDerWaalsContact OE2-N 3.12Å; E52-S1585 WeakPolarHBondContact OE1-CA 3.44Å; E52-S1585 PolarHBondContact OE1-N 3.27Å; E52-S1585 PolarHBondContact OE2-N 3.38Å
53L54.5Low60.8Low50 Ų5045 Ų4526%0.26223%0.227SC..  trans-64135.8178-62.4162.4000108.6V49 T51 Q55 P78V49-L53 HydrophobicContact CG1-CD1 3.98Å; V49-L53 HydrophobicContact CG1-CD2 4.2Å; V49-L53 HydrophobicContact CG1-CG 3.92Å; V49-L53 HydrophobicContact CG2-CD2 4.5Å; T51-L53 PolarHBondContact O-N 3.25Å; L53-Q55 WeakPolarHBondContact O-CG 3.46Å; L53-Q55 PolarHBondContact O-N 3.45Å; L53-Q55 VanDerWaalsContact O-N 3.12Å; L53-P78 HydrophobicContact CB-CG 4.42Å; L53-P78 HydrophobicContact CD2-CB 4.38Å; L53-P78 HydrophobicContact CD2-CG 3.75Å
54P61.6Low60.5Low12 Ų1245.1 Ų45.18%0.07824%0.235CC..  trans-61119.617722.2-30.4000109.8L77 P78 Y108 L1581P54-L77 PolarHBondContact O-N 3.03Å; P54-P78 HydrophobicContact CG-CG 4.18Å; P54-Y108 HydrophobicContact CB-CE2 4.18Å; P54-Y108 HydrophobicContact CG-CE2 4.15Å; P54-L1581 HydrophobicContact CB-CD2 3.72Å
55Q68.7Low59.9Low39 Ų3949.9 Ų49.918%0.18226%0.264CS..EExtended strand (participates in β ladder)trans-111.7129.9-179.1-72.9175.54.900110.8L53 R74 I75 V1582L53-Q55 WeakPolarHBondContact O-CG 3.46Å; L53-Q55 PolarHBondContact O-N 3.45Å; L53-Q55 VanDerWaalsContact O-N 3.12Å; Q55-R74 HydrophobicContact CB-CB 4.39Å; Q55-R74 VanDerWaalsContact OE1-CD 3.31Å; Q55-I75 VanDerWaalsContact CA-O 3.3Å; Q55-I75 WeakPolarHBondContact CA-O 3.33Å; Q55-V1582 PolarHBondContact N-O 3.01Å; Q55-V1582 PolarHBondContact O-N 3.23Å
56V75.7Confident59.6Low1 Ų148 Ų481%0.00626%0.256CS..EExtended strand (participates in β ladder)trans-88131.5167.3-174.90000108.4F58 R74 I75 L77 L111 L1579 F1605V56-F58 HydrophobicContact CB-CE2 4.04Å; V56-F58 HydrophobicContact CG1-CD2 4.28Å; V56-F58 HydrophobicContact CG1-CE2 3.74Å; V56-F58 HydrophobicContact CG1-CZ 3.93Å; V56-R74 WeakPolarHBondContact O-CA 3.19Å; V56-I75 PolarHBondContact N-O 2.9Å; V56-I75 PolarHBondContact O-N 3.22Å; V56-L77 HydrophobicContact CG2-CD1 3.3Å; V56-L77 HydrophobicContact CG2-CD2 3.91Å; V56-L77 HydrophobicContact CG2-CG 3.81Å; V56-L111 HydrophobicContact CG2-CD1 4.48Å; V56-L1579 HydrophobicContact CG1-CB 4.29Å; V56-L1579 HydrophobicContact CG1-CD2 3.88Å; V56-F1605 HydrophobicContact CG1-CE1 4.4Å; V56-F1605 HydrophobicContact CG2-CE1 4.25Å
57V76.7Confident59.4Low4 Ų450.4 Ų50.42%0.02429%0.287CS..EExtended strand (participates in β ladder)trans-98.5123.7175.7-172.30000109.8F59 R72 F73 R74 C1580 V1582V57-F59 HydrophobicContact CG1-CE1 4.17Å; V57-F59 HydrophobicContact CG1-CE2 4.44Å; V57-F59 HydrophobicContact CG1-CZ 4.07Å; V57-R72 HydrophobicContact CG1-CB 3.99Å; V57-R72 HydrophobicContact CG1-CG 4.33Å; V57-F73 CarbonylContact C-O 3.6Å; V57-F73 VanDerWaalsContact CA-O 3.31Å; V57-F73 WeakPolarHBondContact CA-O 3.31Å; V57-R74 HydrophobicContact CG2-CG 4.25Å; V57-C1580 PolarHBondContact N-O 3.49Å; V57-V1582 HydrophobicContact CG2-CB 4.09Å; V57-V1582 HydrophobicContact CG2-CG2 3.51Å
58F76.4Confident59.6Low2 Ų249.7 Ų49.71%0.00928%0.282CS..EExtended strand (participates in β ladder)trans-107.8143.6167.5-55.7-99000109.8V56 R72 F73 I75 V1573 L1579 A1602 F1605 L1606 L1609V56-F58 HydrophobicContact CB-CE2 4.04Å; V56-F58 HydrophobicContact CG1-CD2 4.28Å; V56-F58 HydrophobicContact CG1-CE2 3.74Å; V56-F58 HydrophobicContact CG1-CZ 3.93Å; F58-R72 CarbonylContact O-C 3.49Å; F58-R72 WeakPolarHBondContact O-CA 3.4Å; F58-F73 HydrophobicContact CB-CB 4.15Å; F58-F73 HydrophobicContact CB-CD2 4.45Å; F58-F73 PolarHBondContact N-O 2.9Å; F58-F73 PolarHBondContact O-N 2.95Å; F58-I75 HydrophobicContact CD2-CD1 4Å; F58-I75 HydrophobicContact CD2-CG1 4.48Å; F58-I75 HydrophobicContact CE2-CB 4.44Å; F58-I75 HydrophobicContact CE2-CD1 3.71Å; F58-I75 HydrophobicContact CE2-CG1 4.33Å; F58-V1573 HydrophobicContact CB-CG1 3.9Å; F58-V1573 HydrophobicContact CB-CG2 3.93Å; F58-V1573 HydrophobicContact CD1-CG1 4.13Å; F58-V1573 HydrophobicContact CG-CG1 4.49Å; F58-L1579 HydrophobicContact CD1-CD2 3.47Å; F58-L1579 VanDerWaalsContact CD1-CD2 3.47Å; F58-L1579 HydrophobicContact CE1-CD2 3.32Å; F58-L1579 HydrophobicContact CG-CD2 4.28Å; F58-L1579 HydrophobicContact CZ-CD2 4Å; F58-A1602 HydrophobicContact CD1-CB 4.19Å; F58-A1602 HydrophobicContact CE1-CB 4.44Å; F58-F1605 HydrophobicContact CE1-CD1 4.08Å; F58-F1605 AromaticContact CZ-CD1 3.63Å; F58-F1605 HydrophobicContact CZ-CD1 3.63Å; F58-F1605 AromaticContact CZ-CE1 3.86Å; F58-F1605 HydrophobicContact CZ-CE1 3.86Å; F58-L1606 HydrophobicContact CD1-CD1 4.25Å; F58-L1606 HydrophobicContact CD1-CG 4.34Å; F58-L1606 HydrophobicContact CE1-CD1 4.22Å; F58-L1606 HydrophobicContact CE1-CD2 4.24Å; F58-L1606 HydrophobicContact CE1-CG 3.86Å; F58-L1609 HydrophobicContact CZ-CD1 3.92Å
59F75.9Confident60.1Low33 Ų3349.2 Ų49.215%0.14529%0.287CS..EExtended strand (participates in β ladder)trans-106.1129.3-177.9-61.4-82.4000110.5V57 R72 E1574 Q1577 W1595V57-F59 HydrophobicContact CG1-CE1 4.17Å; V57-F59 HydrophobicContact CG1-CE2 4.44Å; V57-F59 HydrophobicContact CG1-CZ 4.07Å; F59-R72 HydrophobicContact CD1-CG 4.1Å; F59-R72 HydrophobicContact CE1-CG 4.13Å; F59-E1574 PolarHBondContact O-N 3.26Å; F59-Q1577 VanDerWaalsContact CD2-OE1 3.27Å; F59-Q1577 VanDerWaalsContact CG-OE1 3.23Å; F59-W1595 HydrophobicContact CZ-CZ3 4.16Å
60G70.7Confident60.9Low3 Ų349.4 Ų49.43%0.03129%0.291CS..PPolyproline II helixtrans-96.5170.3169.900000112.8P71G60-P71 PolarHBondContact N-O 3.22Å
61P68.9Low62.3Low37 Ų3749.4 Ų49.424%0.2429%0.291CS..PPolyproline II helixtrans-64141-176.524-35000111.7C1572P61-C1572 WeakPolarHBondContact CD-O 3.44Å
62Y65.3Low63.8Low148 Ų14852.9 Ų52.958%0.5830%0.299SS*.PPolyproline II helixtrans-77131176.5-178.2-106.2000111P64 A70Y62-P64 HydrophobicContact CE1-CB 4.28Å; Y62-P64 WeakPolarHBondContact O-CD 3.42Å; Y62-A70 HydrophobicContact CD2-CB 4.18Å
63D59.8Low65.1Low55 Ų5549.8 Ų49.829%0.29429%0.285SS..  trans-104.6108.9179.5-148.2-3.3000110.3T65 T1539D63-T65 VanDerWaalsContact C-N 3.26Å; D63-T65 PolarHBondContact O-N 3.46Å; D63-T65 PolarHBondContact OD1-OG1 3.04Å; D63-T1539 WeakPolarHBondContact OD2-CG2 3.34Å
64P56.3Low66.1Low99 Ų9952 Ų5264%0.64329%0.289SS*.THydrogen-bonded Turntrans-76.3-5.2-170.728.1-33.5000114.7Y62Y62-P64 HydrophobicContact CE1-CB 4.28Å; Y62-P64 WeakPolarHBondContact O-CD 3.42Å
65T54.5Low66.9Low108 Ų10851.4 Ų51.466%0.66329%0.286SS*.THydrogen-bonded Turntrans-91.6-18-166.848.30000115.4D63D63-T65 VanDerWaalsContact C-N 3.26Å; D63-T65 PolarHBondContact O-N 3.46Å; D63-T65 PolarHBondContact OD1-OG1 3.04Å
66E52.1Low67.2Low110 Ų11050 Ų5051%0.51428%0.28SS..SBendtrans-134.613.4-171.2-67.3-166.9162.900116.5S68 Q1639E66-S68 PolarHBondContact O-N 3.23Å; E66-Q1639 PolarHBondContact OE2-NE2 3.45Å
67G52.6Low67.1Low74 Ų7450.1 Ų50.176%0.76328%0.281SS*.  trans66.717.9175.300000115.1
68S57.4Low66.8Low27 Ų2750.3 Ų50.319%0.18928%0.282CS..PPolyproline II helixtrans-80.8141.6177.1-175.50000111.6E66 S1634E66-S68 PolarHBondContact O-N 3.23Å; S68-S1634 PolarHBondContact OG-O 2.74Å; S68-S1634 VanDerWaalsContact OG-O 3.11Å
69S60.2Low66.6Low78 Ų7854.5 Ų54.555%0.54530%0.3SS..PPolyproline II helixtrans-68.7139.6171.659.90000110.3
70A63.4Low66.7Low31 Ų3153 Ų5326%0.25629%0.293SS..PPolyproline II helixtrans-47.7129.4176.700000111.2Y62 R72Y62-A70 HydrophobicContact CD2-CB 4.18Å; A70-R72 PolarHBondContact O-N 3Å
71P66.1Low67.1Low16 Ų1653 Ų5310%0.10429%0.293CS..PPolyproline II helixtrans-64.6126.2-174.924.6-32.1000110.2G60 A1540 L1631G60-P71 PolarHBondContact N-O 3.22Å; P71-A1540 HydrophobicContact CB-CB 4.31Å; P71-A1540 HydrophobicContact CG-CB 4.1Å; P71-L1631 HydrophobicContact CB-CD2 3.95Å
72R74.2Confident67.4Low119 Ų11956.6 Ų56.645%0.44931%0.307SS..EExtended strand (participates in β ladder)trans-109.6105.2178.7-67.4177.5-177.1171.5-2.3108.9V57 F58 F59 A70 R74 S1630V57-R72 HydrophobicContact CG1-CB 3.99Å; V57-R72 HydrophobicContact CG1-CG 4.33Å; F58-R72 CarbonylContact O-C 3.49Å; F58-R72 WeakPolarHBondContact O-CA 3.4Å; F59-R72 HydrophobicContact CD1-CG 4.1Å; F59-R72 HydrophobicContact CE1-CG 4.13Å; A70-R72 PolarHBondContact O-N 3Å; R72-R74 PolarHBondContact O-N 3.45Å; R72-S1630 WeakPolarHBondContact O-CB 3.43Å
73F76Confident68.2Low0 Ų050.8 Ų50.80%029%0.286CS..EExtended strand (participates in β ladder)trans-78.9112.7175.1-58.6-96.1000109V57 F58 A1540 L1570 V1573 C1627 L1631V57-F73 CarbonylContact C-O 3.6Å; V57-F73 VanDerWaalsContact CA-O 3.31Å; V57-F73 WeakPolarHBondContact CA-O 3.31Å; F58-F73 HydrophobicContact CB-CB 4.15Å; F58-F73 HydrophobicContact CB-CD2 4.45Å; F58-F73 PolarHBondContact N-O 2.9Å; F58-F73 PolarHBondContact O-N 2.95Å; F73-A1540 HydrophobicContact CZ-CB 4.28Å; F73-L1570 HydrophobicContact CB-CD2 4.13Å; F73-L1570 HydrophobicContact CD1-CD2 3.77Å; F73-L1570 HydrophobicContact CD2-CD2 4.41Å; F73-L1570 HydrophobicContact CE1-CD2 4.21Å; F73-L1570 HydrophobicContact CG-CD2 3.87Å; F73-V1573 HydrophobicContact CD2-CG2 3.9Å; F73-V1573 HydrophobicContact CE2-CG2 3.93Å; F73-C1627 HydrophobicContact CD1-CB 4.4Å; F73-L1631 HydrophobicContact CD1-CD1 4.37Å; F73-L1631 HydrophobicContact CD1-CD2 4.21Å; F73-L1631 HydrophobicContact CD1-CG 4.14Å; F73-L1631 HydrophobicContact CE1-CD1 3.73Å; F73-L1631 HydrophobicContact CE1-CD2 3.65Å; F73-L1631 HydrophobicContact CE1-CG 3.79Å; F73-L1631 HydrophobicContact CZ-CD1 4.5Å; F73-L1631 HydrophobicContact CZ-CD2 3.81Å; F73-L1631 HydrophobicContact CZ-CG 4.45Å
74R76.5Confident69.3Low95 Ų9548.2 Ų48.236%0.35827%0.272SS..EExtended strand (participates in β ladder)trans-99.8118.5174.9-57.3-171.4177.8164.9-3.2108.1Q55 V56 V57 R72 D1626 S1630Q55-R74 HydrophobicContact CB-CB 4.39Å; Q55-R74 VanDerWaalsContact OE1-CD 3.31Å; V56-R74 WeakPolarHBondContact O-CA 3.19Å; V57-R74 HydrophobicContact CG2-CG 4.25Å; R72-R74 PolarHBondContact O-N 3.45Å; R74-D1626 CarbonylContact O-C 3.58Å; R74-D1626 VanDerWaalsContact O-CB 3.27Å; R74-D1626 WeakPolarHBondContact O-CB 3.42Å; R74-S1630 PolarHBondContact N-OG 3.03Å
75I78Confident70.3Confident1 Ų144.9 Ų44.91%0.00525%0.25CS..EExtended strand (participates in β ladder)trans-116.5126.3-178.4-65176.1000109.9Q55 V56 F58 I80 L1570 M1623Q55-I75 VanDerWaalsContact CA-O 3.3Å; Q55-I75 WeakPolarHBondContact CA-O 3.33Å; V56-I75 PolarHBondContact N-O 2.9Å; V56-I75 PolarHBondContact O-N 3.22Å; F58-I75 HydrophobicContact CD2-CD1 4Å; F58-I75 HydrophobicContact CD2-CG1 4.48Å; F58-I75 HydrophobicContact CE2-CB 4.44Å; F58-I75 HydrophobicContact CE2-CD1 3.71Å; F58-I75 HydrophobicContact CE2-CG1 4.33Å; I75-I80 HydrophobicContact CG2-CD1 4.1Å; I75-L1570 HydrophobicContact CD1-CD1 3.88Å; I75-L1570 HydrophobicContact CD1-CD2 4.13Å; I75-M1623 HydrophobicContact CD1-CE 4.07Å; I75-M1623 HydrophobicContact CG2-CG 4.24Å
76S74.6Confident71.5Confident10 Ų1041.9 Ų41.97%0.0723%0.234CC..EExtended strand (participates in β ladder)trans-77.4131.3174.673.80000111.4D1626S76-D1626 WeakPolarHBondContact CA-OD2 3.47Å; S76-D1626 WeakPolarHBondContact CB-OD2 3.4Å; S76-D1626 PolarHBondContact N-OD2 3.3Å; S76-D1626 PolarHBondContact OG-OD2 3.39Å
77L74Confident72.9Confident3 Ų337.7 Ų37.72%0.01622%0.215CC..  trans-88.6-25.3-176.8-68.1161000116.8P54 V56 K79 I80 V81 Y108 L1581 F1605P54-L77 PolarHBondContact O-N 3.03Å; V56-L77 HydrophobicContact CG2-CD1 3.3Å; V56-L77 HydrophobicContact CG2-CD2 3.91Å; V56-L77 HydrophobicContact CG2-CG 3.81Å; L77-K79 PolarHBondContact O-N 3.39Å; L77-I80 WeakPolarHBondContact O-CA 3.46Å; L77-I80 WeakPolarHBondContact O-CB 3.22Å; L77-I80 PolarHBondContact O-N 3.47Å; L77-V81 WeakPolarHBondContact O-CG2 3.33Å; L77-V81 PolarHBondContact O-N 3.05Å; L77-Y108 HydrophobicContact CB-CD2 4.37Å; L77-Y108 HydrophobicContact CB-CE2 4.29Å; L77-Y108 HydrophobicContact CD1-CD2 3.37Å; L77-Y108 HydrophobicContact CD1-CE2 3.62Å; L77-Y108 HydrophobicContact CD1-CG 4.45Å; L77-Y108 HydrophobicContact CG-CD2 4.38Å; L77-L1581 HydrophobicContact CD1-CD2 4.39Å; L77-F1605 HydrophobicContact CD2-CE1 4.47Å; L77-F1605 HydrophobicContact CD2-CZ 3.9Å
78P70Confident74.1Confident7 Ų735.1 Ų35.15%0.04518%0.184CC..Hα-helixtrans-54.9-46.4-170.6-3743.5000116.2L53 P54 I80 V81 E82 W156L53-P78 HydrophobicContact CB-CG 4.42Å; L53-P78 HydrophobicContact CD2-CB 4.38Å; L53-P78 HydrophobicContact CD2-CG 3.75Å; P54-P78 HydrophobicContact CG-CG 4.18Å; P78-I80 VanDerWaalsContact C-N 3.26Å; P78-I80 PolarHBondContact O-N 3.14Å; P78-V81 PolarHBondContact O-N 3.05Å; P78-E82 PolarHBondContact O-N 2.88Å; P78-W156 HydrophobicContact CB-CD2 3.66Å; P78-W156 HydrophobicContact CB-CE3 3.97Å; P78-W156 HydrophobicContact CB-CG 4.09Å; P78-W156 HydrophobicContact CB-CH2 4.27Å; P78-W156 HydrophobicContact CB-CZ2 4Å; P78-W156 HydrophobicContact CB-CZ3 4.27Å; P78-W156 HydrophobicContact CG-CD2 4.27Å; P78-W156 HydrophobicContact CG-CG 4.16Å
79K72.6Confident74.8Confident90 Ų9037.3 Ų37.339%0.39120%0.199SC..Hα-helixtrans-66-29.6177.1-76.3173.71771740112.7L77 N83L77-K79 PolarHBondContact O-N 3.39Å; K79-N83 WeakPolarHBondContact O-CB 3.25Å; K79-N83 PolarHBondContact O-N 2.85Å
80I78.3Confident75.5Confident1 Ų141.1 Ų41.11%0.00520%0.201CC..Hα-helixtrans-71.2-45.3175.7-50.8-176.3000109.5I75 L77 P78 N83 C84 T104 L1609 L1612 V1619 M1623I75-I80 HydrophobicContact CG2-CD1 4.1Å; L77-I80 WeakPolarHBondContact O-CA 3.46Å; L77-I80 WeakPolarHBondContact O-CB 3.22Å; L77-I80 PolarHBondContact O-N 3.47Å; P78-I80 VanDerWaalsContact C-N 3.26Å; P78-I80 PolarHBondContact O-N 3.14Å; I80-N83 PolarHBondContact O-N 2.97Å; I80-C84 WeakPolarHBondContact O-CB 3.45Å; I80-C84 PolarHBondContact O-N 3.38Å; I80-C84 PolarHBondContact O-SG 3.31Å; I80-T104 HydrophobicContact CG2-CG2 4.03Å; I80-L1609 HydrophobicContact CD1-CD2 3.96Å; I80-L1609 HydrophobicContact CG2-CD2 4.02Å; I80-L1612 HydrophobicContact CG2-CD1 4.16Å; I80-V1619 HydrophobicContact CG1-CG1 4.1Å; I80-M1623 HydrophobicContact CD1-CG 4.02Å; I80-M1623 HydrophobicContact CD1-SD 4.18Å
81V77.7Confident75.6Confident3 Ų348.3 Ų48.32%0.01823%0.23CC..Hα-helixtrans-61.2-44.8175.5172.50000110.9L77 P78 N83 C84 C85 L105 Y108 A160L77-V81 WeakPolarHBondContact O-CG2 3.33Å; L77-V81 PolarHBondContact O-N 3.05Å; P78-V81 PolarHBondContact O-N 3.05Å; V81-N83 PolarHBondContact O-N 3.34Å; V81-C84 PolarHBondContact O-N 3.48Å; V81-C85 WeakPolarHBondContact O-CB 3.26Å; V81-C85 PolarHBondContact O-N 3.19Å; V81-C85 PolarHBondContact O-SG 3.49Å; V81-L105 HydrophobicContact CB-CD2 4.26Å; V81-L105 HydrophobicContact CG1-CD2 3.9Å; V81-L105 HydrophobicContact CG2-CD2 4.1Å; V81-Y108 HydrophobicContact CG2-CD1 3.93Å; V81-Y108 HydrophobicContact CG2-CE1 4.08Å; V81-Y108 HydrophobicContact CG2-CG 4.37Å; V81-A160 HydrophobicContact CG1-CB 3.86Å
82E75.8Confident75.9Confident114 Ų11456 Ų5653%0.53326%0.264SS..Hα-helixtrans-59.5-47.3176.5-167.6-178.5171.700111.5P78 C84 C85 S86 W156P78-E82 PolarHBondContact O-N 2.88Å; E82-C84 PolarHBondContact O-N 2.93Å; E82-C85 PolarHBondContact O-N 3.2Å; E82-S86 WeakPolarHBondContact O-CB 3.28Å; E82-S86 PolarHBondContact O-N 2.98Å; E82-W156 HydrophobicContact CB-CZ3 4.08Å
83N82.3Confident75.8Confident26 Ų2652.1 Ų52.114%0.13925%0.252CS..Hα-helixtrans-61.5-44.7176.9-171.549.3000111.2K79 I80 V81 C85 S86 L87 S1616 V1619K79-N83 WeakPolarHBondContact O-CB 3.25Å; K79-N83 PolarHBondContact O-N 2.85Å; I80-N83 PolarHBondContact O-N 2.97Å; V81-N83 PolarHBondContact O-N 3.34Å; N83-C85 PolarHBondContact O-N 3.44Å; N83-S86 PolarHBondContact O-N 2.97Å; N83-S86 PolarHBondContact O-OG 3.05Å; N83-L87 VanDerWaalsContact O-CG 3.29Å; N83-L87 WeakPolarHBondContact O-CG 3.31Å; N83-L87 PolarHBondContact O-N 3.07Å; N83-S1616 VanDerWaalsContact ND2-CB 3.34Å; N83-S1616 WeakPolarHBondContact ND2-CB 3.42Å; N83-V1619 HydrophobicContact CB-CG2 3.64Å; N83-V1619 WeakPolarHBondContact ND2-CG2 3.47Å
84C82Confident75.9Confident0 Ų056.7 Ų56.70%028%0.276CS..Hα-helixtrans-58.9-46.4175.5-67.70000111.8I80 V81 E82 S86 L87 L88 A101 L105 L1612I80-C84 WeakPolarHBondContact O-CB 3.45Å; I80-C84 PolarHBondContact O-N 3.38Å; I80-C84 PolarHBondContact O-SG 3.31Å; V81-C84 PolarHBondContact O-N 3.48Å; E82-C84 PolarHBondContact O-N 2.93Å; C84-S86 VanDerWaalsContact C-N 3.32Å; C84-S86 PolarHBondContact O-N 2.87Å; C84-L87 PolarHBondContact O-N 2.84Å; C84-L88 WeakPolarHBondContact O-CB 3.39Å; C84-L88 VanDerWaalsContact O-CG 3.3Å; C84-L88 WeakPolarHBondContact O-CG 3.46Å; C84-L88 PolarHBondContact O-N 3.12Å; C84-A101 HydrophobicContact CB-CB 4.27Å; C84-L105 HydrophobicContact CB-CD1 4.15Å; C84-L105 HydrophobicContact CB-CD2 3.98Å; C84-L105 HydrophobicContact CB-CG 3.97Å; C84-L1612 WeakPolarHBondContact SG-CD1 3.45Å
85C79.1Confident76.2Confident29 Ų2957.6 Ų57.620%0.19629%0.287CS..Hα-helixtrans-63.6-39177.8-66.10000111.7V81 E82 N83 L88 S89 A159V81-C85 WeakPolarHBondContact O-CB 3.26Å; V81-C85 PolarHBondContact O-N 3.19Å; V81-C85 PolarHBondContact O-SG 3.49Å; E82-C85 PolarHBondContact O-N 3.2Å; N83-C85 PolarHBondContact O-N 3.44Å; C85-L88 PolarHBondContact O-N 3.42Å; C85-S89 WeakPolarHBondContact O-CB 3.25Å; C85-S89 PolarHBondContact O-N 3.35Å; C85-A159 PolarHBondContact SG-O 3.4Å
86S78.5Confident76.3Confident45 Ų4560.2 Ų60.232%0.31530%0.303SS..Hα-helixtrans-65.7-38.2176.384.20000112E82 N83 C84 S89E82-S86 WeakPolarHBondContact O-CB 3.28Å; E82-S86 PolarHBondContact O-N 2.98Å; N83-S86 PolarHBondContact O-N 2.97Å; N83-S86 PolarHBondContact O-OG 3.05Å; C84-S86 VanDerWaalsContact C-N 3.32Å; C84-S86 PolarHBondContact O-N 2.87Å; S86-S89 PolarHBondContact O-N 2.98Å; S86-S89 PolarHBondContact O-OG 3.36Å
87L81.3Confident76.5Confident22 Ų2261.8 Ų61.812%0.11531%0.31CS..Hα-helixtrans-67.4-49175.5-69.9169.4000110.5N83 C84 S89 R90 L93 I97 L1612N83-L87 VanDerWaalsContact O-CG 3.29Å; N83-L87 WeakPolarHBondContact O-CG 3.31Å; N83-L87 PolarHBondContact O-N 3.07Å; C84-L87 PolarHBondContact O-N 2.84Å; L87-S89 PolarHBondContact O-N 2.92Å; L87-S89 VanDerWaalsContact O-N 3.13Å; L87-R90 PolarHBondContact O-N 3.1Å; L87-R90 VanDerWaalsContact O-N 3.1Å; L87-L93 HydrophobicContact CB-CD1 4.34Å; L87-L93 HydrophobicContact CB-CD2 4.29Å; L87-L93 HydrophobicContact CD2-CD1 4.38Å; L87-L93 WeakPolarHBondContact O-CD1 3.1Å; L87-I97 HydrophobicContact CD1-CG2 4.13Å; L87-I97 HydrophobicContact CD2-CG2 4.4Å; L87-L1612 HydrophobicContact CD1-CD2 3.96Å
88L77.9Confident76.9Confident20 Ų2062.3 Ų62.311%0.10531%0.313CS..Hα-helixtrans-66.3-12.6177.5-65.8173000113.7C84 C85 K98 A101 V102 L105 A167C84-L88 WeakPolarHBondContact O-CB 3.39Å; C84-L88 VanDerWaalsContact O-CG 3.3Å; C84-L88 WeakPolarHBondContact O-CG 3.46Å; C84-L88 PolarHBondContact O-N 3.12Å; C85-L88 PolarHBondContact O-N 3.42Å; L88-K98 HydrophobicContact CD2-CG 3.97Å; L88-A101 HydrophobicContact CD1-CB 4.33Å; L88-A101 HydrophobicContact CD2-CB 4.13Å; L88-A101 HydrophobicContact CG-CB 4.07Å; L88-V102 HydrophobicContact CD1-CG2 4.44Å; L88-V102 HydrophobicContact CD2-CG2 4.05Å; L88-L105 HydrophobicContact CD1-CD1 3.56Å; L88-A167 HydrophobicContact CD2-CB 4.39Å
89S71.9Confident77.7Confident73 Ų7369.4 Ų69.451%0.5134%0.338SS..THydrogen-bonded Turntrans-82-11.2173.575.80000114.4C85 S86 L87C85-S89 WeakPolarHBondContact O-CB 3.25Å; C85-S89 PolarHBondContact O-N 3.35Å; S86-S89 PolarHBondContact O-N 2.98Å; S86-S89 PolarHBondContact O-OG 3.36Å; L87-S89 PolarHBondContact O-N 2.92Å; L87-S89 VanDerWaalsContact O-N 3.13Å
90R74.7Confident78.3Confident159 Ų15965.5 Ų65.560%0.632%0.322SS*.SBendtrans-84.5132.5-179.8-61.1179.5-179.7176.81.5111L87 H92 L93L87-R90 PolarHBondContact O-N 3.1Å; L87-R90 VanDerWaalsContact O-N 3.1Å; R90-H92 VanDerWaalsContact C-N 3.32Å; R90-H92 PolarHBondContact O-N 3.36Å; R90-L93 HydrophobicContact CB-CD1 4.18Å
91Q66.6Low78.6Confident182 Ų18265.5 Ų65.585%0.8532%0.321SS*.SBendtrans-66.6-25-175.2-69.6-179.7-15.300115
92H71.7Confident79Confident177 Ų17765.6 Ų65.682%0.81932%0.322SS*.SBendtrans-126.377.4-179.4-59.4-48.1000109.4R90R90-H92 VanDerWaalsContact C-N 3.32Å; R90-H92 PolarHBondContact O-N 3.36Å
93L73.3Confident79.4Confident37 Ų3761.1 Ų61.119%0.19431%0.305CS..  trans-99.2139.6175.5-150.979.4000109.9L87 R90 I97 K98L87-L93 HydrophobicContact CB-CD1 4.34Å; L87-L93 HydrophobicContact CB-CD2 4.29Å; L87-L93 HydrophobicContact CD2-CD1 4.38Å; L87-L93 WeakPolarHBondContact O-CD1 3.1Å; R90-L93 HydrophobicContact CB-CD1 4.18Å; L93-I97 HydrophobicContact CD1-CG2 4.33Å; L93-I97 HydrophobicContact CD2-CB 4.07Å; L93-I97 HydrophobicContact CD2-CG2 3.81Å; L93-I97 HydrophobicContact CG-CB 4.14Å; L93-I97 HydrophobicContact CG-CG2 4.11Å; L93-K98 HydrophobicContact CD2-CB 4.05Å
94D77.9Confident79.4Confident96 Ų9660.1 Ų60.151%0.51330%0.299SS..  trans-63.5143172.3-1672.2000110.6T96 I97 K98D94-T96 PolarHBondContact O-N 3.22Å; D94-T96 PolarHBondContact OD2-OG1 2.88Å; D94-T96 VanDerWaalsContact OD2-OG1 3.13Å; D94-I97 HydrophobicContact CB-CD1 4.04Å; D94-I97 HydrophobicContact CB-CG1 4.16Å; D94-I97 PolarHBondContact O-N 3.46Å; D94-K98 PolarHBondContact O-N 3.48Å
95I81.5Confident79.6Confident114 Ų11460.1 Ų60.159%0.58530%0.299SS*.Hα-helixtrans-60.9-35.5-174.8-65.4167.1000110.4K98 R99I95-K98 PolarHBondContact O-N 2.97Å; I95-R99 WeakPolarHBondContact O-CB 3.11Å; I95-R99 PolarHBondContact O-N 3.3Å
96T79.8Confident79.7Confident56 Ų5660.6 Ų60.634%0.34430%0.299SS..Hα-helixtrans-60.9-54.6176.155.40000111.1D94 K98 R99 H100 Y1611D94-T96 PolarHBondContact O-N 3.22Å; D94-T96 PolarHBondContact OD2-OG1 2.88Å; D94-T96 VanDerWaalsContact OD2-OG1 3.13Å; T96-K98 VanDerWaalsContact C-N 3.3Å; T96-K98 PolarHBondContact O-N 2.95Å; T96-R99 WeakPolarHBondContact O-CB 3.35Å; T96-R99 PolarHBondContact O-N 3.01Å; T96-R99 VanDerWaalsContact O-N 3.11Å; T96-H100 PolarHBondContact O-CD2 3.46Å; T96-H100 PolarHBondContact O-N 3.1Å; T96-H100 VanDerWaalsContact O-N 3.11Å; T96-Y1611 PolarHBondContact OG1-OH 3.26Å
97I80.4Confident79.7Confident44 Ų4459.1 Ų59.123%0.22629%0.288CS..Hα-helixtrans-58.2-43.3177.8-53.9173.2000110.6L87 L93 D94 R99 H100 A101 Y1611L87-I97 HydrophobicContact CD1-CG2 4.13Å; L87-I97 HydrophobicContact CD2-CG2 4.4Å; L93-I97 HydrophobicContact CD1-CG2 4.33Å; L93-I97 HydrophobicContact CD2-CB 4.07Å; L93-I97 HydrophobicContact CD2-CG2 3.81Å; L93-I97 HydrophobicContact CG-CB 4.14Å; L93-I97 HydrophobicContact CG-CG2 4.11Å; D94-I97 HydrophobicContact CB-CD1 4.04Å; D94-I97 HydrophobicContact CB-CG1 4.16Å; D94-I97 PolarHBondContact O-N 3.46Å; I97-R99 PolarHBondContact O-N 3.07Å; I97-H100 PolarHBondContact O-N 3.41Å; I97-A101 WeakPolarHBondContact O-CB 3.44Å; I97-A101 PolarHBondContact O-N 3.3Å; I97-Y1611 HydrophobicContact CB-CE1 4.3Å; I97-Y1611 HydrophobicContact CG1-CE1 3.88Å; I97-Y1611 VanDerWaalsContact CG1-OH 3.3Å; I97-Y1611 WeakPolarHBondContact CG1-OH 3.49Å
98K81.7Confident79.6Confident14 Ų1458.4 Ų58.46%0.06128%0.283CS..Hα-helixtrans-60.3-44.4177.3-171.6174.9172-179.20111.3L88 L93 D94 I95 T96 A101 V102 D170 D172L88-K98 HydrophobicContact CD2-CG 3.97Å; L93-K98 HydrophobicContact CD2-CB 4.05Å; D94-K98 PolarHBondContact O-N 3.48Å; I95-K98 PolarHBondContact O-N 2.97Å; T96-K98 VanDerWaalsContact C-N 3.3Å; T96-K98 PolarHBondContact O-N 2.95Å; K98-A101 PolarHBondContact O-N 3.44Å; K98-V102 HydrophobicContact CG-CG2 4.4Å; K98-V102 WeakPolarHBondContact O-CB 3.31Å; K98-V102 VanDerWaalsContact O-CG2 3.31Å; K98-V102 WeakPolarHBondContact O-CG2 3.48Å; K98-V102 PolarHBondContact O-N 2.77Å; K98-D170 VanDerWaalsContact NZ-CB 3.32Å; K98-D170 IonicContact NZ-OD2 3.67Å; K98-D170 PolarHBondContact NZ-OD2 3.23Å; K98-D172 IonicContact NZ-OD2 3.74Å; K98-D172 PolarHBondContact NZ-OD2 2.85Å
99R85.8Confident79.6Confident155 Ų15557.4 Ų57.459%0.58528%0.278SS*.Hα-helixtrans-59-48177.2-179.5-179.5178.6-174.9-0.9112I95 T96 I97 A103 L174I95-R99 WeakPolarHBondContact O-CB 3.11Å; I95-R99 PolarHBondContact O-N 3.3Å; T96-R99 WeakPolarHBondContact O-CB 3.35Å; T96-R99 PolarHBondContact O-N 3.01Å; T96-R99 VanDerWaalsContact O-N 3.11Å; I97-R99 PolarHBondContact O-N 3.07Å; R99-A103 VanDerWaalsContact O-CB 3.28Å; R99-A103 WeakPolarHBondContact O-CB 3.38Å; R99-A103 PolarHBondContact O-N 3.26Å; R99-L174 HydrophobicContact CB-CD1 4.08Å; R99-L174 HydrophobicContact CG-CD1 4.12Å
100H85.5Confident79.8Confident9 Ų955 Ų554%0.04226%0.258CS..Hα-helixtrans-68.1-38.7179.3-64.3-82.1000112.5T96 I97 T104 E1522 H1608 Y1611T96-H100 PolarHBondContact O-CD2 3.46Å; T96-H100 PolarHBondContact O-N 3.1Å; T96-H100 VanDerWaalsContact O-N 3.11Å; I97-H100 PolarHBondContact O-N 3.41Å; H100-T104 WeakPolarHBondContact O-CB 3.41Å; H100-T104 PolarHBondContact O-N 3.36Å; H100-T104 PolarHBondContact O-OG1 3.34Å; H100-E1522 IonicContact CE1-OE1 3.86Å; H100-E1522 PolarHBondContact CE1-OE1 2.98Å; H100-E1522 IonicContact CE1-OE2 3.23Å; H100-E1522 IonicContact NE2-OE1 3.91Å; H100-E1522 IonicContact NE2-OE2 2.65Å; H100-E1522 PolarHBondContact NE2-OE2 2.85Å; H100-H1608 HydrophobicContact CB-CB 4.33Å; H100-H1608 AromaticContact CE1-ND1 3.77Å; H100-H1608 AromaticContact CG-ND1 3.7Å; H100-H1608 AromaticContact ND1-CE1 3.87Å; H100-H1608 AromaticContact ND1-CG 3.78Å; H100-H1608 AromaticContact ND1-ND1 2.92Å; H100-H1608 PolarHBondContact ND1-ND1 3.45Å; H100-Y1611 HydrophobicContact CB-CD1 3.95Å; H100-Y1611 HydrophobicContact CB-CG 4.24Å; H100-Y1611 AromaticContact CD2-CD1 3.58Å; H100-Y1611 AromaticContact CD2-CD2 3.63Å; H100-Y1611 AromaticContact CD2-CE1 3.93Å; H100-Y1611 AromaticContact CD2-CE2 3.98Å; H100-Y1611 AromaticContact CD2-CG 3.43Å; H100-Y1611 VanDerWaalsContact CD2-CG 3.43Å; H100-Y1611 AromaticContact CG-CD1 3.81Å; H100-Y1611 AromaticContact CG-CG 3.67Å; H100-Y1611 AromaticContact NE2-CD2 3.57Å; H100-Y1611 AromaticContact NE2-CG 3.77Å
101A85.1Confident79.6Confident0 Ų048.1 Ų48.10%023%0.233CC..Hα-helixtrans-64.8-45.717700000112.2C84 L88 I97 K98 T104 L105C84-A101 HydrophobicContact CB-CB 4.27Å; L88-A101 HydrophobicContact CD1-CB 4.33Å; L88-A101 HydrophobicContact CD2-CB 4.13Å; L88-A101 HydrophobicContact CG-CB 4.07Å; I97-A101 WeakPolarHBondContact O-CB 3.44Å; I97-A101 PolarHBondContact O-N 3.3Å; K98-A101 PolarHBondContact O-N 3.44Å; A101-T104 PolarHBondContact O-N 3.33Å; A101-L105 WeakPolarHBondContact O-CG 3.39Å; A101-L105 PolarHBondContact O-N 3.27Å; A101-L105 VanDerWaalsContact O-N 3.09Å
102V85.8Confident79.8Confident6 Ų641.4 Ų41.44%0.03621%0.206CC..Hα-helixtrans-65.3-45.2177.9171.80000111.4L88 K98 T104 L105 H106 L164 A167 L174 V178L88-V102 HydrophobicContact CD1-CG2 4.44Å; L88-V102 HydrophobicContact CD2-CG2 4.05Å; K98-V102 HydrophobicContact CG-CG2 4.4Å; K98-V102 WeakPolarHBondContact O-CB 3.31Å; K98-V102 VanDerWaalsContact O-CG2 3.31Å; K98-V102 WeakPolarHBondContact O-CG2 3.48Å; K98-V102 PolarHBondContact O-N 2.77Å; V102-T104 VanDerWaalsContact C-N 3.29Å; V102-T104 PolarHBondContact O-N 3.21Å; V102-L105 PolarHBondContact O-N 3.37Å; V102-H106 VanDerWaalsContact O-CB 3.25Å; V102-H106 WeakPolarHBondContact O-CB 3.49Å; V102-H106 PolarHBondContact O-N 3.11Å; V102-L164 HydrophobicContact CG1-CD2 4.16Å; V102-A167 HydrophobicContact CG2-CB 3.61Å; V102-L174 HydrophobicContact CB-CD2 4.11Å; V102-L174 HydrophobicContact CG1-CD2 3.78Å; V102-L174 HydrophobicContact CG2-CD2 4.5Å; V102-V178 HydrophobicContact CG1-CG2 3.57Å
103A84.3Confident79.6Confident20 Ų2034.5 Ų34.517%0.16517%0.174CC..Hα-helixtrans-59.6-4117800000111.9R99 H106 V107R99-A103 VanDerWaalsContact O-CB 3.28Å; R99-A103 WeakPolarHBondContact O-CB 3.38Å; R99-A103 PolarHBondContact O-N 3.26Å; A103-H106 PolarHBondContact O-N 3.13Å; A103-V107 WeakPolarHBondContact O-CG2 3.28Å; A103-V107 PolarHBondContact O-N 2.88Å
104T83.2Confident79.2Confident4 Ų435.4 Ų35.43%0.02519%0.193CC..Hα-helixtrans-65-45.6178.2-54.40000111.7I80 H100 A101 V102 Y108 F1605 H1608 L1609 L1612I80-T104 HydrophobicContact CG2-CG2 4.03Å; H100-T104 WeakPolarHBondContact O-CB 3.41Å; H100-T104 PolarHBondContact O-N 3.36Å; H100-T104 PolarHBondContact O-OG1 3.34Å; A101-T104 PolarHBondContact O-N 3.33Å; V102-T104 VanDerWaalsContact C-N 3.29Å; V102-T104 PolarHBondContact O-N 3.21Å; T104-Y108 PolarHBondContact O-N 3.48Å; T104-Y108 VanDerWaalsContact O-N 3.11Å; T104-F1605 HydrophobicContact CG2-CE2 3.81Å; T104-F1605 HydrophobicContact CG2-CZ 4.37Å; T104-H1608 WeakPolarHBondContact OG1-CB 3.4Å; T104-L1609 HydrophobicContact CG2-CD2 3.94Å; T104-L1612 HydrophobicContact CG2-CD1 3.8Å; T104-L1612 WeakPolarHBondContact OG1-CD1 3.44Å
105L84.5Confident78.3Confident0 Ų031.8 Ų31.80%017%0.173CC..Hα-helixtrans-66.4-38.6176.5-68-179.7000112.3V81 C84 L88 A101 V102 Y108 V109 A160 L164V81-L105 HydrophobicContact CB-CD2 4.26Å; V81-L105 HydrophobicContact CG1-CD2 3.9Å; V81-L105 HydrophobicContact CG2-CD2 4.1Å; C84-L105 HydrophobicContact CB-CD1 4.15Å; C84-L105 HydrophobicContact CB-CD2 3.98Å; C84-L105 HydrophobicContact CB-CG 3.97Å; L88-L105 HydrophobicContact CD1-CD1 3.56Å; A101-L105 WeakPolarHBondContact O-CG 3.39Å; A101-L105 PolarHBondContact O-N 3.27Å; A101-L105 VanDerWaalsContact O-N 3.09Å; V102-L105 PolarHBondContact O-N 3.37Å; L105-Y108 PolarHBondContact O-N 3.23Å; L105-V109 WeakPolarHBondContact O-CG2 3.25Å; L105-V109 PolarHBondContact O-N 3.43Å; L105-A160 HydrophobicContact CD2-CB 3.92Å; L105-L164 HydrophobicContact CB-CD2 3.93Å; L105-L164 HydrophobicContact CB-CG 4.01Å
106H83.1Confident76.9Confident40 Ų4029.8 Ų29.819%0.18517%0.169CC..Hα-helixtrans-62.9-44.9177.9175.4-121.3000111.9V102 A103 V109 R110 F181V102-H106 VanDerWaalsContact O-CB 3.25Å; V102-H106 WeakPolarHBondContact O-CB 3.49Å; V102-H106 PolarHBondContact O-N 3.11Å; A103-H106 PolarHBondContact O-N 3.13Å; H106-V109 PolarHBondContact O-N 3.37Å; H106-R110 PolarHBondContact CE1-NH1 2.98Å; H106-R110 WeakPolarHBondContact NE2-CD 3.42Å; H106-R110 WeakPolarHBondContact O-CG 3.4Å; H106-R110 PolarHBondContact O-N 3.46Å; H106-F181 AromaticContact CD2-CD1 3.97Å; H106-F181 AromaticContact CD2-CE1 3.8Å; H106-F181 AromaticContact CD2-CE2 3.93Å; H106-F181 AromaticContact CD2-CZ 3.77Å; H106-F181 AromaticContact NE2-CD2 3.74Å; H106-F181 AromaticContact NE2-CE2 3.71Å
107V78.1Confident75.1Confident13 Ų1333.5 Ų33.58%0.07918%0.184CC..Hα-helixtrans-62.7-43.7174.9172.80000110.9A103 V109 R110 L111 F1605A103-V107 WeakPolarHBondContact O-CG2 3.28Å; A103-V107 PolarHBondContact O-N 2.88Å; V107-V109 PolarHBondContact O-N 2.94Å; V107-R110 PolarHBondContact O-N 3.15Å; V107-L111 HydrophobicContact CG1-CD1 3.72Å; V107-L111 HydrophobicContact CG1-CG 4.2Å; V107-L111 WeakPolarHBondContact O-CB 3.46Å; V107-L111 VanDerWaalsContact O-CG 3.3Å; V107-L111 WeakPolarHBondContact O-CG 3.5Å; V107-L111 PolarHBondContact O-N 3.26Å; V107-F1605 HydrophobicContact CB-CD2 3.74Å; V107-F1605 HydrophobicContact CB-CE2 4.01Å; V107-F1605 HydrophobicContact CG1-CB 4.33Å; V107-F1605 HydrophobicContact CG1-CD2 3.54Å; V107-F1605 HydrophobicContact CG1-CE2 3.89Å; V107-F1605 HydrophobicContact CG1-CG 3.93Å; V107-F1605 HydrophobicContact CG2-CD2 4.07Å
108Y78.5Confident73.4Confident7 Ų738 Ų383%0.02720%0.204CC..Hα-helixtrans-59.3-46.5177.8174.5-119.8000112.8P54 L77 V81 T104 L105 L111 S112 A160P54-Y108 HydrophobicContact CB-CE2 4.18Å; P54-Y108 HydrophobicContact CG-CE2 4.15Å; L77-Y108 HydrophobicContact CB-CD2 4.37Å; L77-Y108 HydrophobicContact CB-CE2 4.29Å; L77-Y108 HydrophobicContact CD1-CD2 3.37Å; L77-Y108 HydrophobicContact CD1-CE2 3.62Å; L77-Y108 HydrophobicContact CD1-CG 4.45Å; L77-Y108 HydrophobicContact CG-CD2 4.38Å; V81-Y108 HydrophobicContact CG2-CD1 3.93Å; V81-Y108 HydrophobicContact CG2-CE1 4.08Å; V81-Y108 HydrophobicContact CG2-CG 4.37Å; T104-Y108 PolarHBondContact O-N 3.48Å; T104-Y108 VanDerWaalsContact O-N 3.11Å; L105-Y108 PolarHBondContact O-N 3.23Å; Y108-L111 PolarHBondContact O-N 2.86Å; Y108-S112 WeakPolarHBondContact O-CB 3.1Å; Y108-S112 PolarHBondContact O-N 2.9Å; Y108-S112 PolarHBondContact O-OG 3.36Å; Y108-A160 HydrophobicContact CD1-CB 3.65Å; Y108-A160 HydrophobicContact CE1-CB 3.83Å
109V77.8Confident71.7Confident0 Ų044.8 Ų44.80%023%0.229CC..Hα-helixtrans-63.4-46.3177.3171.40000110.3L105 H106 V107 L111 S112 F113 A160 L161 L164 F181 L185L105-V109 WeakPolarHBondContact O-CG2 3.25Å; L105-V109 PolarHBondContact O-N 3.43Å; H106-V109 PolarHBondContact O-N 3.37Å; V107-V109 PolarHBondContact O-N 2.94Å; V109-L111 PolarHBondContact O-N 3.31Å; V109-S112 PolarHBondContact O-N 3.29Å; V109-S112 VanDerWaalsContact O-N 3.11Å; V109-F113 HydrophobicContact CG1-CD2 3.7Å; V109-F113 HydrophobicContact CG1-CE2 3.84Å; V109-F113 VanDerWaalsContact O-CD2 3.31Å; V109-F113 WeakPolarHBondContact O-CD2 3.29Å; V109-F113 PolarHBondContact O-N 2.9Å; V109-A160 HydrophobicContact CG2-CB 4.28Å; V109-L161 HydrophobicContact CG1-CD2 4.1Å; V109-L161 HydrophobicContact CG2-CD2 4.14Å; V109-L161 HydrophobicContact CG2-CG 4.47Å; V109-L164 HydrophobicContact CB-CD1 4.34Å; V109-L164 HydrophobicContact CG2-CD1 3.78Å; V109-F181 HydrophobicContact CG1-CE1 4.12Å; V109-F181 HydrophobicContact CG1-CZ 4.16Å; V109-L185 HydrophobicContact CG1-CD1 3.88Å
110R75.5Confident69.5Low23 Ų2342.5 Ų42.59%0.08723%0.233CC..Hα-helixtrans-61.1-42179-75.1178.370.7165.2-3.9113.6H106 V107 S112 G114 L115 S116 M117 F181 I1600H106-R110 PolarHBondContact CE1-NH1 2.98Å; H106-R110 WeakPolarHBondContact NE2-CD 3.42Å; H106-R110 WeakPolarHBondContact O-CG 3.4Å; H106-R110 PolarHBondContact O-N 3.46Å; V107-R110 PolarHBondContact O-N 3.15Å; R110-S112 VanDerWaalsContact C-N 3.3Å; R110-S112 PolarHBondContact O-N 2.92Å; R110-G114 PolarHBondContact O-N 3.48Å; R110-L115 HydrophobicContact CB-CB 4.45Å; R110-L115 HydrophobicContact CG-CB 4.34Å; R110-L115 PolarHBondContact NE-O 3.3Å; R110-L115 PolarHBondContact O-N 3.4Å; R110-S116 PolarHBondContact NH2-O 3.03Å; R110-M117 PolarHBondContact NH2-O 2.91Å; R110-M117 VanDerWaalsContact NH2-O 3.12Å; R110-F181 HydrophobicContact CG-CE2 4.04Å; R110-F181 HydrophobicContact CG-CZ 3.94Å; R110-I1600 HydrophobicContact CB-CD1 4.08Å
111L71.2Confident67Low14 Ų1445.6 Ų45.67%0.07327%0.268CS..Hα-helixtrans-64.4-37176.2-69.9169.9000111.3V56 V107 Y108 V109 L1579 L1581 I1600V56-L111 HydrophobicContact CG2-CD1 4.48Å; V107-L111 HydrophobicContact CG1-CD1 3.72Å; V107-L111 HydrophobicContact CG1-CG 4.2Å; V107-L111 WeakPolarHBondContact O-CB 3.46Å; V107-L111 VanDerWaalsContact O-CG 3.3Å; V107-L111 WeakPolarHBondContact O-CG 3.5Å; V107-L111 PolarHBondContact O-N 3.26Å; Y108-L111 PolarHBondContact O-N 2.86Å; V109-L111 PolarHBondContact O-N 3.31Å; L111-L1579 HydrophobicContact CD2-CB 4.24Å; L111-L1581 HydrophobicContact CB-CD1 3.37Å; L111-L1581 HydrophobicContact CB-CG 4.11Å; L111-I1600 HydrophobicContact CD2-CD1 4.09Å; L111-I1600 HydrophobicContact CG-CD1 4.32Å
112S70.6Confident64.3Low41 Ų4152.8 Ų52.829%0.28731%0.306SS..Hα-helixtrans-74.1-31.9-178.1-54.70000113.3Y108 V109 R110 L157Y108-S112 WeakPolarHBondContact O-CB 3.1Å; Y108-S112 PolarHBondContact O-N 2.9Å; Y108-S112 PolarHBondContact O-OG 3.36Å; V109-S112 PolarHBondContact O-N 3.29Å; V109-S112 VanDerWaalsContact O-N 3.11Å; R110-S112 VanDerWaalsContact C-N 3.3Å; R110-S112 PolarHBondContact O-N 2.92Å; S112-L157 WeakPolarHBondContact OG-CD1 3.16Å
113F68.3Low61.6Low31 Ų3162 Ų6214%0.13635%0.349CS..Hα-helixtrans-93.5-4.1175.9-74.2-88.9000113.6V109 L115 L157 L185 N206 I210V109-F113 HydrophobicContact CG1-CD2 3.7Å; V109-F113 HydrophobicContact CG1-CE2 3.84Å; V109-F113 VanDerWaalsContact O-CD2 3.31Å; V109-F113 WeakPolarHBondContact O-CD2 3.29Å; V109-F113 PolarHBondContact O-N 2.9Å; F113-L115 HydrophobicContact CB-CD1 3.83Å; F113-L115 HydrophobicContact CB-CG 3.91Å; F113-L157 HydrophobicContact CE2-CD1 4.44Å; F113-L157 HydrophobicContact CE2-CD2 3.8Å; F113-L157 HydrophobicContact CZ-CD2 3.95Å; F113-L185 HydrophobicContact CD1-CD2 4.43Å; F113-L185 HydrophobicContact CD2-CD1 4.44Å; F113-L185 HydrophobicContact CE1-CD2 4.12Å; F113-L185 HydrophobicContact CE2-CD2 4.24Å; F113-L185 HydrophobicContact CZ-CD2 4.04Å; F113-N206 HydrophobicContact CD1-CB 4.22Å; F113-N206 HydrophobicContact CE1-CB 3.75Å; F113-I210 HydrophobicContact CE1-CD1 4.19Å; F113-I210 HydrophobicContact CZ-CD1 4.18Å; F113-I210 HydrophobicContact CZ-CG1 4.05Å
114G64Low58.9Low57 Ų5769.7 Ų69.759%0.58838%0.381SS*.THydrogen-bonded Turntrans72.329.5179.300000115.3R110R110-G114 PolarHBondContact O-N 3.48Å
115L60.4Low56.2Low20 Ų2077.8 Ų77.811%0.10542%0.419CS..  trans-91.3117.3-170.6-64.1168.3000113.3R110 F113 L185R110-L115 HydrophobicContact CB-CB 4.45Å; R110-L115 HydrophobicContact CG-CB 4.34Å; R110-L115 PolarHBondContact NE-O 3.3Å; R110-L115 PolarHBondContact O-N 3.4Å; F113-L115 HydrophobicContact CB-CD1 3.83Å; F113-L115 HydrophobicContact CB-CG 3.91Å; L115-L185 HydrophobicContact CD1-CD1 3.68Å; L115-L185 HydrophobicContact CD1-CG 4.21Å
116S50.9Low53.5Low71 Ų7185.2 Ų85.250%0.49746%0.458SS..  trans-85.2-22.6-172.261.50000116.3R110 S1599R110-S116 PolarHBondContact NH2-O 3.03Å; S116-S1599 PolarHBondContact O-OG 3.19Å
117M43.5Very low50.9Low134 Ų13491.6 Ų91.666%0.6649%0.494SS*.SBendtrans-126151.5-171.9-71.6-81.2-116.100113.6R110 W119R110-M117 PolarHBondContact NH2-O 2.91Å; R110-M117 VanDerWaalsContact NH2-O 3.12Å; M117-W119 PolarHBondContact O-N 2.91Å
118E43.8Very low48.4Very low139 Ų13996.7 Ų96.765%0.6553%0.53SS*.  trans-71.6106.1163.1-78.9-173.4163.400107.5T120E118-T120 VanDerWaalsContact C-N 3.31Å; E118-T120 PolarHBondContact O-N 2.87Å
119W46.7Very low45.8Very low156 Ų15699.8 Ų99.859%0.59156%0.564SS**  trans-75.884179.5-8160.7000110.1M117 G121 A184M117-W119 PolarHBondContact O-N 2.91Å; W119-G121 PolarHBondContact O-N 3.11Å; W119-A184 HydrophobicContact CB-CB 4.38Å
120T37.9Very low43.4Very low107 Ų107109.1 Ų109.166%0.65661%0.608SS**  trans-8480.2167.954.40000109.6E118 N122E118-T120 VanDerWaalsContact C-N 3.31Å; E118-T120 PolarHBondContact O-N 2.87Å; T120-N122 PolarHBondContact O-N 3.08Å
121G34.5Very low41Very low75 Ų75115 Ų11577%0.77365%0.647SS**SBendtrans53.7-15.7151.100000122.7W119W119-G121 PolarHBondContact O-N 3.11Å
122N28.1Very low38.8Very low151 Ų151118.1 Ų118.181%0.80768%0.682SS**  trans-134.880.4-163.3-75.4-9.3000111.7T120T120-N122 PolarHBondContact O-N 3.08Å
123Q29.4Very low36.5Very low200 Ų200121.5 Ų121.594%0.93571%0.706SS**  trans-148.196.7145.2-73.7-160.2-24.800108.9
124Q27.3Very low34.5Very low181 Ų181128 Ų12885%0.84674%0.739SS**  trans-85.3145152.7-108.6175.2-28.300106.9
125E27.2Very low32.8Very low174 Ų174131 Ų13181%0.81375%0.748SS**  trans7689.2165.8-58.8176.1-178.900116.5
126D26.1Very low31.1Very low156 Ų156133.5 Ų133.583%0.83477%0.771SS**  trans-173.792.9130.8-93.4-21.1000110.2
127N28.8Very low29.7Very low173 Ų173138 Ų13893%0.92579%0.79SS**  trans-173.592137.1-97.4-17.2000109.8
128S25.5Very low28.8Very low120 Ų120136.3 Ų136.384%0.83980%0.797SS**  trans-93.9129.7159.6530000108.9
129G25.3Very low27.8Very low73 Ų73133.5 Ų133.575%0.75380%0.798SS**  trans90.7108.5158.300000117.5
130Q26.3Very low26.6Very low195 Ų195135.4 Ų135.491%0.91182%0.815SS**  -170.7123.899.6-99.71803.800111.9
131T25.4Very low25.9Very low147 Ų147137.3 Ų137.390%0.90282%0.821SS**  trans-60.3132.5161.846.60000111.2
132G24.6Very low25.4Very low79 Ų79138.8 Ų138.881%0.81482%0.82SS**  trans-162.1109.3170.400000111.8
133S22.5Very low25.2Very low113 Ų113138.9 Ų138.979%0.7982%0.82SS**  trans-76.2132.5-179.9520000113.9
134M26.6Very low25Very low168 Ų168133.8 Ų133.883%0.82881%0.807SS**  trans57.2157145.7-81.7-84.7168.200118.9A136M134-A136 HydrophobicContact SD-CB 4.48Å
135P28.1Very low25Very low120 Ų120134 Ų13478%0.77981%0.807SS**  cis-135157.52836.8-16.5000118.2N137P135-N137 PolarHBondContact O-N 3.04Å
136A24.1Very low25Very low71 Ų71131 Ų13159%0.58779%0.792SS**  trans-52.7124.3154.400000111.2M134M134-A136 HydrophobicContact SD-CB 4.48Å
137N22.5Very low25.2Very low167 Ų167127.2 Ų127.289%0.89377%0.774SS**  trans176.2106146.4-92.9-16.7000110P135P135-N137 PolarHBondContact O-N 3.04Å
138A23.8Very low25.2Very low97 Ų97126 Ų12680%0.80276%0.761SS**  trans-160.1100.2153.200000109.3
139A22.8Very low25.7Very low81 Ų81124.2 Ų124.267%0.66974%0.742SS**  50.8104.6124.500000115.1D141A139-D141 VanDerWaalsContact C-N 3.27Å; A139-D141 PolarHBondContact O-N 2.61Å
140M22.8Very low26.4Very low196 Ų196125.3 Ų125.397%0.96672%0.724SS**  2468.780.8-75.7-136.6-177.300113.2
141D23Very low27.1Very low146 Ų146119.2 Ų119.278%0.78171%0.707SS**  trans-132.6106.8146.8-86.6-34.5000107.8A139 D143A139-D141 VanDerWaalsContact C-N 3.27Å; A139-D141 PolarHBondContact O-N 2.61Å; D141-D143 PolarHBondContact O-N 3.38Å
142S22.9Very low27.8Very low107 Ų107114.2 Ų114.275%0.74868%0.675SS**  trans-56.9106.7152.547.60000108
143D23.2Very low28.8Very low152 Ų152112.5 Ų112.581%0.81365%0.651SS**  trans-172.2118.5148.8-94.2-24.3000113.3D141D141-D143 PolarHBondContact O-N 3.38Å
144S26.2Very low30.5Very low93 Ų93107.9 Ų107.965%0.6562%0.617SS**  trans60.580.2157.571.50000118.9K146S144-K146 PolarHBondContact O-N 3.13Å
145H26.5Very low32.1Very low185 Ų185103.5 Ų103.586%0.85660%0.597SS**  trans-63.590.5156.4-72.9-57.9000111.5T147H145-T147 PolarHBondContact O-N 3.05Å
146K28.4Very low33.9Very low113 Ų113101.2 Ų101.249%0.49157%0.573SS.*  trans-91.389.6162.7-77175.8-178.2157.10109.6S144 F148 N2446S144-K146 PolarHBondContact O-N 3.13Å; K146-F148 PolarHBondContact O-N 3.3Å; K146-N2446 VanDerWaalsContact CD-OD1 3.29Å; K146-N2446 WeakPolarHBondContact CD-OD1 3.45Å; K146-N2446 WeakPolarHBondContact CE-OD1 2.95Å; K146-N2446 PolarHBondContact NZ-ND2 3.32Å; K146-N2446 PolarHBondContact NZ-OD1 3.38Å
147T28.9Very low36.3Very low76 Ų7698.6 Ų98.647%0.46655%0.549SS..  trans-61.9100.4165.943.40000109.2H145 N149H145-T147 PolarHBondContact O-N 3.05Å; T147-N149 PolarHBondContact O-N 2.64Å
148F29.2Very low38.7Very low147 Ų14790.9 Ų90.965%0.64551%0.507SS*.  trans-55.1117.7163.7-91.6-94.3000108.8K146 Y150K146-F148 PolarHBondContact O-N 3.3Å; F148-Y150 VanDerWaalsContact C-N 3.33Å; F148-Y150 HydrophobicContact CB-CD2 4.16Å; F148-Y150 HydrophobicContact CB-CE2 4.16Å; F148-Y150 WeakPolarHBondContact O-CD2 3.32Å; F148-Y150 PolarHBondContact O-N 3.2Å
149N36.3Very low41.2Very low82 Ų8287.5 Ų87.544%0.43948%0.48SS..  trans-68.887.2176.9-83.8-31.3000110.4T51 T147 A151T51-N149 HydrophobicContact CG2-CB 4.42Å; T147-N149 PolarHBondContact O-N 2.64Å; N149-A151 PolarHBondContact O-N 2.67Å; N149-A151 VanDerWaalsContact O-N 3.15Å
150Y40.3Very low43.8Very low97 Ų9783.6 Ų83.638%0.3845%0.448SS..THydrogen-bonded Turntrans-68.12.7178.2-98.4-90000115.1F148 N154 K202F148-Y150 VanDerWaalsContact C-N 3.33Å; F148-Y150 HydrophobicContact CB-CD2 4.16Å; F148-Y150 HydrophobicContact CB-CE2 4.16Å; F148-Y150 WeakPolarHBondContact O-CD2 3.32Å; F148-Y150 PolarHBondContact O-N 3.2Å; Y150-N154 PolarHBondContact O-ND2 2.66Å; Y150-N154 PolarHBondContact O-OD1 2.73Å; Y150-K202 VanDerWaalsContact OH-CE 3.29Å; Y150-K202 WeakPolarHBondContact OH-CE 3.48Å; Y150-K202 WeakPolarHBondContact OH-CG 3.35Å
151A40.3Very low46.7Very low66 Ų6674.3 Ų74.355%0.54540%0.402SS..THydrogen-bonded Turntrans-74.1-31.9-166.200000115.2N149N149-A151 PolarHBondContact O-N 2.67Å; N149-A151 VanDerWaalsContact O-N 3.15Å
152D41Very low49.5Very low42 Ų4268.4 Ų68.423%0.22537%0.371CS..THydrogen-bonded Turntrans-104.4-30.8-168-70.5-33.6000114.9T50 N154 N155T50-D152 PolarHBondContact OG1-OD2 3.25Å; D152-N154 PolarHBondContact O-N 3.34Å; D152-N154 VanDerWaalsContact O-N 3.17Å; D152-N155 PolarHBondContact O-N 3.08Å
153S46Very low52.1Low44 Ų4463.4 Ų63.431%0.30834%0.336SS..Hα-helixtrans-56.7-29.9167.957.70000111N155 L157S153-N155 VanDerWaalsContact C-N 3.29Å; S153-N155 PolarHBondContact O-N 3.2Å; S153-L157 PolarHBondContact O-N 3.12Å
154N57.2Low55Low16 Ų1656.2 Ų56.29%0.08630%0.298CS..Hα-helixtrans-63-28.6176.3-72.2-1.6000114Y150 D152 T158 L209Y150-N154 PolarHBondContact O-ND2 2.66Å; Y150-N154 PolarHBondContact O-OD1 2.73Å; D152-N154 PolarHBondContact O-N 3.34Å; D152-N154 VanDerWaalsContact O-N 3.17Å; N154-T158 VanDerWaalsContact O-CB 3.25Å; N154-T158 WeakPolarHBondContact O-CB 3.5Å; N154-T158 WeakPolarHBondContact O-CG2 3.08Å; N154-T158 PolarHBondContact O-N 3.44Å; N154-T158 PolarHBondContact O-OG1 3.19Å; N154-L209 HydrophobicContact CB-CD2 3.42Å; N154-L209 VanDerWaalsContact CB-CD2 3.42Å; N154-L209 HydrophobicContact CB-CG 4.38Å; N154-L209 WeakPolarHBondContact OD1-CD1 3.5Å; N154-L209 VanDerWaalsContact OD1-CD2 3.29Å; N154-L209 WeakPolarHBondContact OD1-CD2 3.36Å
155N61.3Low57.8Low75 Ų7551.8 Ų51.840%0.40127%0.267SS..Hα-helixtrans-72.5-39-177.8-75.7-36000112.8D152 S153 T158 A159D152-N155 PolarHBondContact O-N 3.08Å; S153-N155 VanDerWaalsContact C-N 3.29Å; S153-N155 PolarHBondContact O-N 3.2Å; N155-T158 VanDerWaalsContact CA-OG1 3.32Å; N155-T158 WeakPolarHBondContact CA-OG1 3.31Å; N155-T158 PolarHBondContact O-OG1 2.89Å; N155-A159 VanDerWaalsContact O-CB 3.29Å; N155-A159 WeakPolarHBondContact O-CB 3.38Å; N155-A159 PolarHBondContact O-N 3.13Å
156W66Low60.3Low73 Ų7343.5 Ų43.528%0.27723%0.229SC..Hα-helixtrans-76.3-36.7178.5-62.9109.3000112P78 E82 A159 A160P78-W156 HydrophobicContact CB-CD2 3.66Å; P78-W156 HydrophobicContact CB-CE3 3.97Å; P78-W156 HydrophobicContact CB-CG 4.09Å; P78-W156 HydrophobicContact CB-CH2 4.27Å; P78-W156 HydrophobicContact CB-CZ2 4Å; P78-W156 HydrophobicContact CB-CZ3 4.27Å; P78-W156 HydrophobicContact CG-CD2 4.27Å; P78-W156 HydrophobicContact CG-CG 4.16Å; E82-W156 HydrophobicContact CB-CZ3 4.08Å; W156-A159 PolarHBondContact O-N 2.84Å; W156-A160 WeakPolarHBondContact O-CB 3.38Å; W156-A160 PolarHBondContact O-N 3.09Å
157L73.1Confident62.7Low15 Ų1538.2 Ų38.28%0.07921%0.207CC..Hα-helixtrans-69-41.6175-163.8126000111.7S112 F113 S153 A159 A160 L161 L209S112-L157 WeakPolarHBondContact OG-CD1 3.16Å; F113-L157 HydrophobicContact CE2-CD1 4.44Å; F113-L157 HydrophobicContact CE2-CD2 3.8Å; F113-L157 HydrophobicContact CZ-CD2 3.95Å; S153-L157 PolarHBondContact O-N 3.12Å; L157-A159 VanDerWaalsContact C-N 3.34Å; L157-A159 PolarHBondContact O-N 3Å; L157-A160 PolarHBondContact O-N 3.42Å; L157-L161 HydrophobicContact CD2-CD1 3.98Å; L157-L161 WeakPolarHBondContact O-CG 3.19Å; L157-L161 PolarHBondContact O-N 3.24Å; L157-L209 HydrophobicContact CD2-CB 4.27Å; L157-L209 HydrophobicContact CD2-CD1 3.94Å; L157-L209 HydrophobicContact CD2-CD2 3.87Å; L157-L209 HydrophobicContact CD2-CG 4.27Å
158T74.1Confident65Low5 Ų535 Ų353%0.03119%0.188CC..Hα-helixtrans-62.9-39.7170.349.40000111.8N154 N155 L161 V162 L209 K212 A213N154-T158 VanDerWaalsContact O-CB 3.25Å; N154-T158 WeakPolarHBondContact O-CB 3.5Å; N154-T158 WeakPolarHBondContact O-CG2 3.08Å; N154-T158 PolarHBondContact O-N 3.44Å; N154-T158 PolarHBondContact O-OG1 3.19Å; N155-T158 VanDerWaalsContact CA-OG1 3.32Å; N155-T158 WeakPolarHBondContact CA-OG1 3.31Å; N155-T158 PolarHBondContact O-OG1 2.89Å; T158-L161 PolarHBondContact O-N 3.5Å; T158-V162 WeakPolarHBondContact O-CB 3.03Å; T158-V162 WeakPolarHBondContact O-CG2 3.49Å; T158-V162 PolarHBondContact O-N 2.74Å; T158-L209 HydrophobicContact CG2-CD2 3.87Å; T158-L209 WeakPolarHBondContact CG2-O 3.48Å; T158-K212 HydrophobicContact CG2-CB 3.89Å; T158-A213 HydrophobicContact CG2-CB 4.39Å
159A75.3Confident66.9Low26 Ų2628.8 Ų28.822%0.21517%0.166CC..Hα-helixtrans-62.1-43.3174.100000112.2C85 N155 W156 L157 V162 G163C85-A159 PolarHBondContact SG-O 3.4Å; N155-A159 VanDerWaalsContact O-CB 3.29Å; N155-A159 WeakPolarHBondContact O-CB 3.38Å; N155-A159 PolarHBondContact O-N 3.13Å; W156-A159 PolarHBondContact O-N 2.84Å; L157-A159 VanDerWaalsContact C-N 3.34Å; L157-A159 PolarHBondContact O-N 3Å; A159-V162 WeakPolarHBondContact O-CB 3.45Å; A159-V162 PolarHBondContact O-N 2.94Å; A159-G163 PolarHBondContact O-N 3.37Å
160A77.2Confident68.5Low0 Ų028.7 Ų28.70%017%0.165CC..Hα-helixtrans-61.8-45.317600000112.1V81 L105 Y108 V109 W156 L157 G163 L164V81-A160 HydrophobicContact CG1-CB 3.86Å; L105-A160 HydrophobicContact CD2-CB 3.92Å; Y108-A160 HydrophobicContact CD1-CB 3.65Å; Y108-A160 HydrophobicContact CE1-CB 3.83Å; V109-A160 HydrophobicContact CG2-CB 4.28Å; W156-A160 WeakPolarHBondContact O-CB 3.38Å; W156-A160 PolarHBondContact O-N 3.09Å; L157-A160 PolarHBondContact O-N 3.42Å; A160-G163 WeakPolarHBondContact O-CA 2.99Å; A160-G163 PolarHBondContact O-N 3.49Å; A160-L164 PolarHBondContact O-N 3.06Å
161L84Confident69.8Low1 Ų133.9 Ų33.91%0.00519%0.193CC..Hα-helixtrans-61.4-43.6174.2-73.2170.9000111.4V109 L157 T158 G163 L164 F165 L182 I210 A213V109-L161 HydrophobicContact CG1-CD2 4.1Å; V109-L161 HydrophobicContact CG2-CD2 4.14Å; V109-L161 HydrophobicContact CG2-CG 4.47Å; L157-L161 HydrophobicContact CD2-CD1 3.98Å; L157-L161 WeakPolarHBondContact O-CG 3.19Å; L157-L161 PolarHBondContact O-N 3.24Å; T158-L161 PolarHBondContact O-N 3.5Å; L161-G163 VanDerWaalsContact C-N 3.28Å; L161-G163 PolarHBondContact O-N 3.26Å; L161-L164 PolarHBondContact O-N 2.95Å; L161-L164 VanDerWaalsContact O-N 3.16Å; L161-F165 WeakPolarHBondContact O-CD2 3.35Å; L161-F165 PolarHBondContact O-N 3.49Å; L161-L182 HydrophobicContact CD2-CD2 4.14Å; L161-I210 HydrophobicContact CD1-CG1 4.1Å; L161-A213 HydrophobicContact CB-CB 3.56Å; L161-A213 HydrophobicContact CD1-CB 3.98Å; L161-A213 HydrophobicContact CG-CB 4.44Å
162V81.8Confident71.3Confident21 Ų2133.9 Ų33.913%0.12718%0.184CC..Hα-helixtrans-59.5-40.2174169.60000111.1T158 A159 S166 A213 R216 V217T158-V162 WeakPolarHBondContact O-CB 3.03Å; T158-V162 WeakPolarHBondContact O-CG2 3.49Å; T158-V162 PolarHBondContact O-N 2.74Å; A159-V162 WeakPolarHBondContact O-CB 3.45Å; A159-V162 PolarHBondContact O-N 2.94Å; V162-S166 PolarHBondContact O-N 2.85Å; V162-S166 PolarHBondContact O-OG 3.21Å; V162-A213 HydrophobicContact CG2-CB 4.32Å; V162-R216 HydrophobicContact CG2-CB 3.87Å; V162-R216 HydrophobicContact CG2-CG 4Å; V162-V217 HydrophobicContact CB-CG2 4.27Å; V162-V217 HydrophobicContact CG1-CG2 4.14Å; V162-V217 HydrophobicContact CG2-CG2 4.01Å
163G77.2Confident72.9Confident2 Ų239.8 Ų39.82%0.02121%0.21CC..Hα-helixtrans-57.9-48.8172.700000112.1A159 A160 L161 S166 A167A159-G163 PolarHBondContact O-N 3.37Å; A160-G163 WeakPolarHBondContact O-CA 2.99Å; A160-G163 PolarHBondContact O-N 3.49Å; L161-G163 VanDerWaalsContact C-N 3.28Å; L161-G163 PolarHBondContact O-N 3.26Å; G163-S166 PolarHBondContact O-N 3.23Å; G163-S166 PolarHBondContact O-OG 3.49Å; G163-A167 PolarHBondContact O-N 2.82Å; G163-A167 VanDerWaalsContact O-N 3.15Å
164L84.9Confident74.3Confident1 Ų140.2 Ų40.21%0.00521%0.209CC..Hα-helixtrans-64-46.2177-72.7172.4000112.8V102 L105 V109 A160 L161 S166 A167 A168 V178 L182V102-L164 HydrophobicContact CG1-CD2 4.16Å; L105-L164 HydrophobicContact CB-CD2 3.93Å; L105-L164 HydrophobicContact CB-CG 4.01Å; V109-L164 HydrophobicContact CB-CD1 4.34Å; V109-L164 HydrophobicContact CG2-CD1 3.78Å; A160-L164 PolarHBondContact O-N 3.06Å; L161-L164 PolarHBondContact O-N 2.95Å; L161-L164 VanDerWaalsContact O-N 3.16Å; L164-S166 PolarHBondContact O-N 3.01Å; L164-A167 PolarHBondContact O-N 3.27Å; L164-A168 PolarHBondContact O-N 2.99Å; L164-A168 VanDerWaalsContact O-N 3.12Å; L164-V178 HydrophobicContact CB-CG1 4.08Å; L164-V178 HydrophobicContact CD2-CG1 4.13Å; L164-V178 WeakPolarHBondContact O-CG1 3.4Å; L164-L182 HydrophobicContact CB-CD1 4.49Å; L164-L182 HydrophobicContact CB-CD2 4.48Å
165F84.3Confident75.2Confident1 Ų140 Ų400%0.00421%0.208CC..Hα-helixtrans-54.9-41.7174.2-85.3-69.2000110.9L161 A167 A168 L182 A213 V214 V217 V225 V228L161-F165 WeakPolarHBondContact O-CD2 3.35Å; L161-F165 PolarHBondContact O-N 3.49Å; F165-A167 VanDerWaalsContact C-N 3.33Å; F165-A167 PolarHBondContact O-N 3.31Å; F165-A168 WeakPolarHBondContact O-CB 3.27Å; F165-A168 PolarHBondContact O-N 3.32Å; F165-A168 VanDerWaalsContact O-N 3.14Å; F165-L182 HydrophobicContact CD1-CD1 3.65Å; F165-L182 HydrophobicContact CD2-CD1 4.45Å; F165-L182 HydrophobicContact CE1-CB 4.4Å; F165-L182 HydrophobicContact CE1-CD1 3.8Å; F165-L182 HydrophobicContact CE1-CG 4.47Å; F165-L182 HydrophobicContact CE2-CD2 4.19Å; F165-L182 HydrophobicContact CG-CD1 3.98Å; F165-L182 HydrophobicContact CZ-CD1 4.25Å; F165-L182 HydrophobicContact CZ-CD2 4.16Å; F165-A213 HydrophobicContact CE2-CB 4.35Å; F165-V214 HydrophobicContact CE1-CG2 4.41Å; F165-V214 HydrophobicContact CE2-CG2 4.06Å; F165-V214 HydrophobicContact CZ-CG2 3.69Å; F165-V217 HydrophobicContact CB-CG2 3.63Å; F165-V217 HydrophobicContact CD2-CG2 4.02Å; F165-V217 HydrophobicContact CG-CG2 3.97Å; F165-V225 HydrophobicContact CB-CG1 4.3Å; F165-V225 VanDerWaalsContact O-CG1 3.29Å; F165-V225 WeakPolarHBondContact O-CG1 3.4Å; F165-V228 HydrophobicContact CD1-CG1 4.3Å; F165-V228 HydrophobicContact CE1-CG1 4.43Å
166S78.9Confident76.2Confident10 Ų1042.3 Ų42.37%0.0722%0.217CC..Hα-helixtrans-69.9-27.3179.267.80000115.1V162 G163 L164 A168 K221V162-S166 PolarHBondContact O-N 2.85Å; V162-S166 PolarHBondContact O-OG 3.21Å; G163-S166 PolarHBondContact O-N 3.23Å; G163-S166 PolarHBondContact O-OG 3.49Å; L164-S166 PolarHBondContact O-N 3.01Å; S166-A168 VanDerWaalsContact C-N 3.3Å; S166-K221 PolarHBondContact OG-NZ 3.25Å
167A78.8Confident76.9Confident2 Ų246 Ų462%0.01724%0.235CC..Hα-helixtrans-73.8-24.4171.900000112.4L88 V102 G163 L164 F165 G169 S175L88-A167 HydrophobicContact CD2-CB 4.39Å; V102-A167 HydrophobicContact CG2-CB 3.61Å; G163-A167 PolarHBondContact O-N 2.82Å; G163-A167 VanDerWaalsContact O-N 3.15Å; L164-A167 PolarHBondContact O-N 3.27Å; F165-A167 VanDerWaalsContact C-N 3.33Å; F165-A167 PolarHBondContact O-N 3.31Å; A167-G169 VanDerWaalsContact C-N 3.32Å; A167-G169 PolarHBondContact O-N 2.93Å; A167-S175 WeakPolarHBondContact O-CB 3.47Å
168A77.5Confident77.4Confident8 Ų845.8 Ų45.87%0.06623%0.234CC..THydrogen-bonded Turntrans-76-13.8-179.600000114.2L164 F165 S166 V178 A179 L182 V228L164-A168 PolarHBondContact O-N 2.99Å; L164-A168 VanDerWaalsContact O-N 3.12Å; F165-A168 WeakPolarHBondContact O-CB 3.27Å; F165-A168 PolarHBondContact O-N 3.32Å; F165-A168 VanDerWaalsContact O-N 3.14Å; S166-A168 VanDerWaalsContact C-N 3.3Å; A168-V178 HydrophobicContact CB-CB 4.41Å; A168-V178 HydrophobicContact CB-CG1 4.14Å; A168-A179 HydrophobicContact CB-CB 4.23Å; A168-L182 HydrophobicContact CB-CD1 4.45Å; A168-V228 HydrophobicContact CB-CG1 4.21Å; A168-V228 HydrophobicContact CB-CG2 4.42Å
169G70Confident77.8Confident18 Ų1846.7 Ų46.719%0.18624%0.242CC..THydrogen-bonded Turntrans-84.6-10.2-177.600000115.9A167A167-G169 VanDerWaalsContact C-N 3.32Å; A167-G169 PolarHBondContact O-N 2.93Å
170D69.9Low78.2Confident80 Ų8050.6 Ų50.643%0.42826%0.256SS..SBendtrans-86.5166-179.1-64.4-28.5000111.9K98 D172 S175K98-D170 VanDerWaalsContact NZ-CB 3.32Å; K98-D170 IonicContact NZ-OD2 3.67Å; K98-D170 PolarHBondContact NZ-OD2 3.23Å; D170-D172 VanDerWaalsContact C-N 3.33Å; D170-D172 PolarHBondContact O-N 3.16Å; D170-S175 WeakPolarHBondContact O-CB 2.89Å; D170-S175 PolarHBondContact O-OG 2.67Å
171Q67.4Low78.6Confident205 Ų20551.7 Ų51.796%0.95826%0.261SS*.SBendtrans-87.819.8-177.1-66.8-172-13.500115.2
172D72.1Confident78.6Confident67 Ų6751.9 Ų51.936%0.35826%0.262SS..SBendtrans-91.4152.7-174.9-54-35.4000112.5K98 D170 L174 S175K98-D172 IonicContact NZ-OD2 3.74Å; K98-D172 PolarHBondContact NZ-OD2 2.85Å; D170-D172 VanDerWaalsContact C-N 3.33Å; D170-D172 PolarHBondContact O-N 3.16Å; D172-L174 PolarHBondContact O-N 2.82Å; D172-S175 WeakPolarHBondContact O-CB 3.21Å; D172-S175 PolarHBondContact O-N 3.39Å; D172-S175 PolarHBondContact O-OG 3.23Å
173E73.7Confident78.7Confident165 Ų16555.5 Ų55.577%0.77128%0.276SS*.Hα-helixtrans-53.9-27.1175.1-70-175.8169.400114
174L76.1Confident78.8Confident54 Ų5456.7 Ų56.728%0.28329%0.285SS..Hα-helixtrans-73.7-28.2178.9-127.4144.2000112.3R99 V102 D172 V178R99-L174 HydrophobicContact CB-CD1 4.08Å; R99-L174 HydrophobicContact CG-CD1 4.12Å; V102-L174 HydrophobicContact CB-CD2 4.11Å; V102-L174 HydrophobicContact CG1-CD2 3.78Å; V102-L174 HydrophobicContact CG2-CD2 4.5Å; D172-L174 PolarHBondContact O-N 2.82Å; L174-V178 VanDerWaalsContact O-CG2 3.29Å; L174-V178 WeakPolarHBondContact O-CG2 3.19Å; L174-V178 PolarHBondContact O-N 3.45Å
175S76.4Confident78.6Confident10 Ų1057 Ų577%0.0729%0.287CS..Hα-helixtrans-73.2-37.4179.270.30000111.7A167 D170 D172 V178 A179A167-S175 WeakPolarHBondContact O-CB 3.47Å; D170-S175 WeakPolarHBondContact O-CB 2.89Å; D170-S175 PolarHBondContact O-OG 2.67Å; D172-S175 WeakPolarHBondContact O-CB 3.21Å; D172-S175 PolarHBondContact O-N 3.39Å; D172-S175 PolarHBondContact O-OG 3.23Å; S175-V178 PolarHBondContact O-N 3.24Å; S175-A179 PolarHBondContact O-N 2.7Å
176E81.7Confident78.5Confident125 Ų12556.9 Ų56.958%0.58429%0.287SS*.Hα-helixtrans-64.5-43.2179.2-165.3176.8-176.900111.6V178 A179 Q180E176-V178 VanDerWaalsContact C-N 3.32Å; E176-V178 PolarHBondContact O-N 2.99Å; E176-A179 PolarHBondContact O-N 2.89Å; E176-Q180 WeakPolarHBondContact O-CG 3.45Å; E176-Q180 PolarHBondContact O-N 3.43Å
177K80.8Confident78.6Confident149 Ų14961.6 Ų61.665%0.64831%0.306SS*.Hα-helixtrans-60-40.4174.2-69.3-177.1-179.6-179.90112.3F181K177-F181 PolarHBondContact O-N 3.23Å; K177-F181 VanDerWaalsContact O-N 3.09Å
178V83.5Confident78.5Confident11 Ų1163.8 Ų63.87%0.06732%0.316CS..Hα-helixtrans-69.6-40.2178.1177.50000111.2V102 L164 A168 L174 S175 E176 F181 L182V102-V178 HydrophobicContact CG1-CG2 3.57Å; L164-V178 HydrophobicContact CB-CG1 4.08Å; L164-V178 HydrophobicContact CD2-CG1 4.13Å; L164-V178 WeakPolarHBondContact O-CG1 3.4Å; A168-V178 HydrophobicContact CB-CB 4.41Å; A168-V178 HydrophobicContact CB-CG1 4.14Å; L174-V178 VanDerWaalsContact O-CG2 3.29Å; L174-V178 WeakPolarHBondContact O-CG2 3.19Å; L174-V178 PolarHBondContact O-N 3.45Å; S175-V178 PolarHBondContact O-N 3.24Å; E176-V178 VanDerWaalsContact C-N 3.32Å; E176-V178 PolarHBondContact O-N 2.99Å; V178-F181 PolarHBondContact O-N 3.26Å; V178-L182 HydrophobicContact CG1-CD1 4Å; V178-L182 HydrophobicContact CG1-CG 4.45Å; V178-L182 WeakPolarHBondContact O-CG 3.46Å; V178-L182 PolarHBondContact O-N 3.32Å
179A83.2Confident78.3Confident25 Ų2563.6 Ų63.621%0.20731%0.314CS..Hα-helixtrans-61.9-43.3176.500000112A168 S175 E176 L182 K183 V228A168-A179 HydrophobicContact CB-CB 4.23Å; S175-A179 PolarHBondContact O-N 2.7Å; E176-A179 PolarHBondContact O-N 2.89Å; A179-L182 PolarHBondContact O-N 3.43Å; A179-K183 PolarHBondContact O-N 3.44Å; A179-K183 VanDerWaalsContact O-N 3.11Å; A179-V228 HydrophobicContact CB-CG1 4.13Å
180Q83Confident78.5Confident107 Ų10762.7 Ų62.750%0.531%0.305SS..Hα-helixtrans-62.7-44.1175.6-70.7176.78.500111.8E176 K183 A184E176-Q180 WeakPolarHBondContact O-CG 3.45Å; E176-Q180 PolarHBondContact O-N 3.43Å; Q180-K183 PolarHBondContact O-N 3.43Å; Q180-A184 PolarHBondContact O-N 2.83Å
181F84.9Confident78.7Confident24 Ų2461.6 Ų61.611%0.10530%0.299CS..Hα-helixtrans-59.1-47.4175.9172.4-103.4000112.3H106 V109 R110 K177 V178 K183 A184 L185H106-F181 AromaticContact CD2-CD1 3.97Å; H106-F181 AromaticContact CD2-CE1 3.8Å; H106-F181 AromaticContact CD2-CE2 3.93Å; H106-F181 AromaticContact CD2-CZ 3.77Å; H106-F181 AromaticContact NE2-CD2 3.74Å; H106-F181 AromaticContact NE2-CE2 3.71Å; V109-F181 HydrophobicContact CG1-CE1 4.12Å; V109-F181 HydrophobicContact CG1-CZ 4.16Å; R110-F181 HydrophobicContact CG-CE2 4.04Å; R110-F181 HydrophobicContact CG-CZ 3.94Å; K177-F181 PolarHBondContact O-N 3.23Å; K177-F181 VanDerWaalsContact O-N 3.09Å; V178-F181 PolarHBondContact O-N 3.26Å; F181-K183 VanDerWaalsContact C-N 3.33Å; F181-K183 PolarHBondContact O-N 3.32Å; F181-A184 PolarHBondContact O-N 3.39Å; F181-L185 HydrophobicContact CE1-CD1 3.7Å; F181-L185 HydrophobicContact CE2-CD1 4.03Å; F181-L185 HydrophobicContact CZ-CD1 3.36Å; F181-L185 WeakPolarHBondContact O-CB 3.45Å; F181-L185 PolarHBondContact O-N 2.89Å
182L85.1Confident78.8Confident5 Ų554.8 Ų54.83%0.02627%0.267CS..Hα-helixtrans-62.6-39.3179.7-71.9166.8000112.2L161 L164 F165 A168 V178 A179 L185 M186L161-L182 HydrophobicContact CD2-CD2 4.14Å; L164-L182 HydrophobicContact CB-CD1 4.49Å; L164-L182 HydrophobicContact CB-CD2 4.48Å; F165-L182 HydrophobicContact CD1-CD1 3.65Å; F165-L182 HydrophobicContact CD2-CD1 4.45Å; F165-L182 HydrophobicContact CE1-CB 4.4Å; F165-L182 HydrophobicContact CE1-CD1 3.8Å; F165-L182 HydrophobicContact CE1-CG 4.47Å; F165-L182 HydrophobicContact CE2-CD2 4.19Å; F165-L182 HydrophobicContact CG-CD1 3.98Å; F165-L182 HydrophobicContact CZ-CD1 4.25Å; F165-L182 HydrophobicContact CZ-CD2 4.16Å; A168-L182 HydrophobicContact CB-CD1 4.45Å; V178-L182 HydrophobicContact CG1-CD1 4Å; V178-L182 HydrophobicContact CG1-CG 4.45Å; V178-L182 WeakPolarHBondContact O-CG 3.46Å; V178-L182 PolarHBondContact O-N 3.32Å; A179-L182 PolarHBondContact O-N 3.43Å; L182-L185 PolarHBondContact O-N 3.08Å; L182-M186 PolarHBondContact O-N 2.93Å
183K82.5Confident78.5Confident96 Ų9653.4 Ų53.442%0.41726%0.261SS..Hα-helixtrans-66.6-42.3177.6-158.8179.4-173.8-1750111.8A179 Q180 F181 M186 K187 S235A179-K183 PolarHBondContact O-N 3.44Å; A179-K183 VanDerWaalsContact O-N 3.11Å; Q180-K183 PolarHBondContact O-N 3.43Å; F181-K183 VanDerWaalsContact C-N 3.33Å; F181-K183 PolarHBondContact O-N 3.32Å; K183-M186 PolarHBondContact O-N 3.3Å; K183-K187 PolarHBondContact O-N 3.39Å; K183-K187 VanDerWaalsContact O-N 3.13Å; K183-S235 WeakPolarHBondContact CE-OG 3.33Å
184A79.1Confident78.3Confident27 Ų2748.1 Ų48.122%0.22324%0.238CC..Hα-helixtrans-63.2-41.4175.100000111.9W119 Q180 F181 K187 Q188W119-A184 HydrophobicContact CB-CB 4.38Å; Q180-A184 PolarHBondContact O-N 2.83Å; F181-A184 PolarHBondContact O-N 3.39Å; A184-K187 WeakPolarHBondContact O-CB 3.14Å; A184-K187 PolarHBondContact O-N 3.38Å; A184-Q188 PolarHBondContact O-N 3.35Å
185L81.6Confident77.7Confident7 Ų753 Ų534%0.03726%0.259CS..Hα-helixtrans-66.5-38.9-179.9-158.3147.9000111.9V109 F113 L115 F181 L182 Q188 C189 I210V109-L185 HydrophobicContact CG1-CD1 3.88Å; F113-L185 HydrophobicContact CD1-CD2 4.43Å; F113-L185 HydrophobicContact CD2-CD1 4.44Å; F113-L185 HydrophobicContact CE1-CD2 4.12Å; F113-L185 HydrophobicContact CE2-CD2 4.24Å; F113-L185 HydrophobicContact CZ-CD2 4.04Å; L115-L185 HydrophobicContact CD1-CD1 3.68Å; L115-L185 HydrophobicContact CD1-CG 4.21Å; F181-L185 HydrophobicContact CE1-CD1 3.7Å; F181-L185 HydrophobicContact CE2-CD1 4.03Å; F181-L185 HydrophobicContact CZ-CD1 3.36Å; F181-L185 WeakPolarHBondContact O-CB 3.45Å; F181-L185 PolarHBondContact O-N 2.89Å; L182-L185 PolarHBondContact O-N 3.08Å; L185-Q188 PolarHBondContact O-N 2.97Å; L185-C189 PolarHBondContact O-N 3.44Å; L185-C189 VanDerWaalsContact O-N 3.13Å; L185-C189 PolarHBondContact O-SG 2.82Å; L185-C189 VanDerWaalsContact O-SG 3.32Å; L185-I210 HydrophobicContact CD2-CD1 3.29Å; L185-I210 HydrophobicContact CD2-CG1 3.99Å
186M83.4Confident76.2Confident0 Ų055.5 Ų55.50%029%0.287CS..Hα-helixtrans-61.9-41.5172.1-168.989.8-83.700111.9L182 K183 T190 L207 I210 C232L182-M186 PolarHBondContact O-N 2.93Å; K183-M186 PolarHBondContact O-N 3.3Å; M186-T190 WeakPolarHBondContact O-CG2 3.49Å; M186-T190 PolarHBondContact O-N 3.05Å; M186-T190 VanDerWaalsContact O-N 3.17Å; M186-T190 PolarHBondContact O-OG1 3.09Å; M186-L207 HydrophobicContact CE-CD1 3.41Å; M186-L207 VanDerWaalsContact CE-CD1 3.41Å; M186-I210 HydrophobicContact CE-CB 3.7Å; M186-I210 HydrophobicContact CE-CD1 3.98Å; M186-I210 HydrophobicContact CE-CG1 4.49Å; M186-I210 HydrophobicContact CE-CG2 3.43Å; M186-I210 VanDerWaalsContact CE-CG2 3.43Å; M186-I210 HydrophobicContact SD-CG2 3.62Å; M186-C232 HydrophobicContact CG-CB 4.25Å; M186-C232 HydrophobicContact SD-CB 4.17Å
187K80.9Confident74.2Confident108 Ų10852 Ų5247%0.4729%0.285SS..Hα-helixtrans-63.3-40.5176.9172.5167.9-175179.10112.8K183 A184 T190 L191 I239K183-K187 PolarHBondContact O-N 3.39Å; K183-K187 VanDerWaalsContact O-N 3.13Å; A184-K187 WeakPolarHBondContact O-CB 3.14Å; A184-K187 PolarHBondContact O-N 3.38Å; K187-T190 VanDerWaalsContact C-OG1 3.32Å; K187-T190 WeakPolarHBondContact CA-OG1 3.44Å; K187-T190 PolarHBondContact O-OG1 2.94Å; K187-L191 HydrophobicContact CG-CD1 4.03Å; K187-L191 WeakPolarHBondContact O-CG 3.35Å; K187-L191 PolarHBondContact O-N 3.43Å; K187-I239 HydrophobicContact CB-CD1 3.57Å; K187-I239 HydrophobicContact CD-CD1 4.11Å; K187-I239 HydrophobicContact CG-CD1 3.6Å
188Q75.7Confident72.4Confident48 Ų4851.2 Ų51.222%0.22430%0.297CS..Hα-helixtrans-69.2-47.2179.3-176.5168.9-11.700112A184 L185 T190 L191 E192A184-Q188 PolarHBondContact O-N 3.35Å; L185-Q188 PolarHBondContact O-N 2.97Å; Q188-T190 PolarHBondContact O-N 3.02Å; Q188-L191 PolarHBondContact O-N 3.08Å; Q188-E192 HydrophobicContact CG-CG 4.32Å; Q188-E192 VanDerWaalsContact CG-OE1 3.27Å; Q188-E192 WeakPolarHBondContact CG-OE1 3.42Å; Q188-E192 PolarHBondContact NE2-OE1 3.14Å; Q188-E192 WeakPolarHBondContact O-CB 3.3Å; Q188-E192 WeakPolarHBondContact O-CG 3.47Å; Q188-E192 PolarHBondContact O-N 3.22Å
189C74.4Confident70.4Confident4 Ų456.3 Ų56.33%0.02732%0.32CS..Hα-helixtrans-63.8-29.5-179.4-640000112.7L185 T193 L207 I210L185-C189 PolarHBondContact O-N 3.44Å; L185-C189 VanDerWaalsContact O-N 3.13Å; L185-C189 PolarHBondContact O-SG 2.82Å; L185-C189 VanDerWaalsContact O-SG 3.32Å; C189-T193 WeakPolarHBondContact O-CG2 3.39Å; C189-T193 PolarHBondContact O-N 3.45Å; C189-T193 PolarHBondContact O-OG1 3.23Å; C189-L207 HydrophobicContact CB-CB 4.3Å; C189-L207 HydrophobicContact CB-CD1 3.96Å; C189-I210 HydrophobicContact CB-CD1 3.95Å; C189-I210 WeakPolarHBondContact SG-CD1 3.32Å
190T72.7Confident68.6Low0 Ų059 Ų590%034%0.335CS..Hα-helixtrans-72.8-44.617540.60000112.6M186 K187 Q188 T193 L194 L207 Y236M186-T190 WeakPolarHBondContact O-CG2 3.49Å; M186-T190 PolarHBondContact O-N 3.05Å; M186-T190 VanDerWaalsContact O-N 3.17Å; M186-T190 PolarHBondContact O-OG1 3.09Å; K187-T190 VanDerWaalsContact C-OG1 3.32Å; K187-T190 WeakPolarHBondContact CA-OG1 3.44Å; K187-T190 PolarHBondContact O-OG1 2.94Å; Q188-T190 PolarHBondContact O-N 3.02Å; T190-T193 WeakPolarHBondContact CA-OG1 3.29Å; T190-T193 PolarHBondContact O-N 3.47Å; T190-T193 PolarHBondContact O-OG1 2.96Å; T190-L194 WeakPolarHBondContact O-CD1 3.3Å; T190-L194 VanDerWaalsContact O-CG 3.31Å; T190-L194 WeakPolarHBondContact O-CG 3.29Å; T190-L194 PolarHBondContact O-N 2.97Å; T190-L207 HydrophobicContact CG2-CD1 3.55Å; T190-Y236 HydrophobicContact CG2-CD2 3.22Å; T190-Y236 HydrophobicContact CG2-CE2 3.82Å; T190-Y236 HydrophobicContact CG2-CG 4.15Å
191L74.2Confident67.1Low57 Ų5759.9 Ų59.930%0.29834%0.343SS..Hα-helixtrans-63.5-42.1175.3-75.9164.2000112K187 Q188 T193 L194 Q195 I239K187-L191 HydrophobicContact CG-CD1 4.03Å; K187-L191 WeakPolarHBondContact O-CG 3.35Å; K187-L191 PolarHBondContact O-N 3.43Å; Q188-L191 PolarHBondContact O-N 3.08Å; L191-T193 VanDerWaalsContact C-N 3.31Å; L191-T193 PolarHBondContact O-N 3.11Å; L191-L194 PolarHBondContact O-N 3.15Å; L191-Q195 WeakPolarHBondContact O-CG 3.44Å; L191-Q195 PolarHBondContact O-N 3.04Å; L191-I239 HydrophobicContact CD2-CG2 4.18Å; L191-I239 HydrophobicContact CG-CG2 4.06Å
192E68.9Low65.5Low61 Ų6165 Ų6529%0.28537%0.365SS..Hα-helixtrans-65.2-32.6179.6-74.8177.6-172.900113.3Q188Q188-E192 HydrophobicContact CG-CG 4.32Å; Q188-E192 VanDerWaalsContact CG-OE1 3.27Å; Q188-E192 WeakPolarHBondContact CG-OE1 3.42Å; Q188-E192 PolarHBondContact NE2-OE1 3.14Å; Q188-E192 WeakPolarHBondContact O-CB 3.3Å; Q188-E192 WeakPolarHBondContact O-CG 3.47Å; Q188-E192 PolarHBondContact O-N 3.22Å
193T67.5Low63.9Low38 Ų3870.2 Ų70.223%0.23338%0.384CS..Hα-helixtrans-77.3-31178.141.60000112.8C189 T190 L191 R203 L207C189-T193 WeakPolarHBondContact O-CG2 3.39Å; C189-T193 PolarHBondContact O-N 3.45Å; C189-T193 PolarHBondContact O-OG1 3.23Å; T190-T193 WeakPolarHBondContact CA-OG1 3.29Å; T190-T193 PolarHBondContact O-N 3.47Å; T190-T193 PolarHBondContact O-OG1 2.96Å; L191-T193 VanDerWaalsContact C-N 3.31Å; L191-T193 PolarHBondContact O-N 3.11Å; T193-R203 WeakPolarHBondContact CG2-O 3.49Å; T193-L207 HydrophobicContact CG2-CB 3.97Å; T193-L207 HydrophobicContact CG2-CD2 4.19Å
194L68.8Low62.9Low55 Ų5567.4 Ų67.429%0.28838%0.376SS..Hα-helixtrans-83-22.3-178.6-67.8166.1000113.6T190 L191 A240 S243 L244 T253T190-L194 WeakPolarHBondContact O-CD1 3.3Å; T190-L194 VanDerWaalsContact O-CG 3.31Å; T190-L194 WeakPolarHBondContact O-CG 3.29Å; T190-L194 PolarHBondContact O-N 2.97Å; L191-L194 PolarHBondContact O-N 3.15Å; L194-A240 HydrophobicContact CD1-CB 4.19Å; L194-S243 VanDerWaalsContact CD1-OG 3.27Å; L194-S243 WeakPolarHBondContact CD1-OG 3.39Å; L194-L244 HydrophobicContact CD2-CD1 3.85Å; L194-L244 HydrophobicContact CD2-CG 4.29Å; L194-T253 HydrophobicContact CD2-CG2 4.36Å
195Q64.4Low62.1Low155 Ų15566.6 Ų66.672%0.72437%0.37SS*.SBendtrans-83.8-1.4-175.8-75-177.9-4.800116.6L191L191-Q195 WeakPolarHBondContact O-CG 3.44Å; L191-Q195 PolarHBondContact O-N 3.04Å
196G44.1Very low61.5Low64 Ų6468 Ų6866%0.6638%0.378SS*.  trans47.199.8163.300000119.6
197G40.1Very low61.1Low52 Ų5268 Ų6854%0.53638%0.378SS..  trans-149.4167.2165.900000112.6E199 T200G197-E199 PolarHBondContact O-N 3.37Å; G197-T200 WeakPolarHBondContact O-CG2 3.31Å; G197-T200 PolarHBondContact O-N 3.1Å; G197-T200 VanDerWaalsContact O-N 3.16Å
198S41.5Very low60.8Low131 Ų13165.5 Ų65.592%0.91637%0.368SS*.THydrogen-bonded Turntrans-46.7-9.5-170-176.20000118.7T200S198-T200 VanDerWaalsContact C-N 3.34Å
199E42.1Very low60.6Low118 Ų11863.5 Ų63.555%0.55136%0.358SS*.THydrogen-bonded Turntrans-95.225.6174-63.4-162.6143.600113.5G197 N201 K202 R203G197-E199 PolarHBondContact O-N 3.37Å; E199-N201 PolarHBondContact O-N 3.05Å; E199-K202 PolarHBondContact O-N 3.38Å; E199-R203 IonicContact OE2-CZ 3.38Å; E199-R203 IonicContact OE2-NE 3.34Å; E199-R203 PolarHBondContact OE2-NE 3.18Å; E199-R203 IonicContact OE2-NH2 3.97Å; E199-R203 PolarHBondContact OE2-NH2 2.95Å
200T45.9Very low60.9Low83 Ų8363.5 Ų63.551%0.50936%0.358SS..Hα-helixtrans-52.1-29.9-169.251.40000115.4G197 S198 S204G197-T200 WeakPolarHBondContact O-CG2 3.31Å; G197-T200 PolarHBondContact O-N 3.1Å; G197-T200 VanDerWaalsContact O-N 3.16Å; S198-T200 VanDerWaalsContact C-N 3.34Å; T200-S204 WeakPolarHBondContact O-CB 3.06Å; T200-S204 PolarHBondContact O-N 2.93Å; T200-S204 PolarHBondContact O-OG 2.97Å
201N51.3Low61.4Low125 Ų12563.5 Ų63.567%0.66836%0.358SS*.Hα-helixtrans-79.7-28.6-174.7-75.3-19.3000114.9E199 S204E199-N201 PolarHBondContact O-N 3.05Å; N201-S204 PolarHBondContact O-OG 3.29Å
202K50.9Low61.6Low130 Ų13064.6 Ų64.657%0.56536%0.36SS*.Hα-helixtrans-79.9-39.5179.4-90.7-174.7174.6174.90112.2Y150 E199Y150-K202 VanDerWaalsContact OH-CE 3.29Å; Y150-K202 WeakPolarHBondContact OH-CE 3.48Å; Y150-K202 WeakPolarHBondContact OH-CG 3.35Å; E199-K202 PolarHBondContact O-N 3.38Å
203R53Low62.1Low116 Ų11661.7 Ų61.744%0.43835%0.347SS..Hα-helixtrans-80.2-30.1-173-59-175.3-169.6-174.90.8113T193 E199 N206T193-R203 WeakPolarHBondContact CG2-O 3.49Å; E199-R203 IonicContact OE2-CZ 3.38Å; E199-R203 IonicContact OE2-NE 3.34Å; E199-R203 PolarHBondContact OE2-NE 3.18Å; E199-R203 IonicContact OE2-NH2 3.97Å; E199-R203 PolarHBondContact OE2-NH2 2.95Å; R203-N206 PolarHBondContact O-N 2.71Å
204S59.6Low63Low36 Ų3659.9 Ų59.925%0.25234%0.336SS..Hα-helixtrans-65.3-37.4171.659.90000113T200 N201 N206 L207 E208 F255T200-S204 WeakPolarHBondContact O-CB 3.06Å; T200-S204 PolarHBondContact O-N 2.93Å; T200-S204 PolarHBondContact O-OG 2.97Å; N201-S204 PolarHBondContact O-OG 3.29Å; S204-N206 VanDerWaalsContact C-N 3.28Å; S204-N206 PolarHBondContact O-N 3.2Å; S204-L207 PolarHBondContact O-N 2.72Å; S204-E208 PolarHBondContact O-N 3.28Å; S204-F255 VanDerWaalsContact O-CZ 3.28Å; S204-F255 WeakPolarHBondContact O-CZ 3.38Å
205A63.1Low63.6Low11 Ų1157.9 Ų57.99%0.09133%0.325CS..Hα-helixtrans-61.7-33.6177.900000113.2E208 L209A205-E208 WeakPolarHBondContact O-CB 3.44Å; A205-E208 PolarHBondContact O-N 3.02Å; A205-L209 WeakPolarHBondContact O-CB 3.16Å; A205-L209 WeakPolarHBondContact O-CD1 3.4Å; A205-L209 VanDerWaalsContact O-CG 3.31Å; A205-L209 WeakPolarHBondContact O-CG 3.35Å; A205-L209 PolarHBondContact O-N 3.35Å
206N69.7Low64.3Low36 Ų3656.5 Ų56.519%0.19331%0.313CS..Hα-helixtrans-64.5-39.9179.4-78.1-7.1000113F113 R203 S204 L209 I210F113-N206 HydrophobicContact CD1-CB 4.22Å; F113-N206 HydrophobicContact CE1-CB 3.75Å; R203-N206 PolarHBondContact O-N 2.71Å; S204-N206 VanDerWaalsContact C-N 3.28Å; S204-N206 PolarHBondContact O-N 3.2Å; N206-L209 WeakPolarHBondContact O-CB 3.39Å; N206-I210 WeakPolarHBondContact O-CG1 3.36Å; N206-I210 PolarHBondContact O-N 3.03Å
207L73.8Confident66Low0 Ų053.5 Ų53.50%028%0.282CS..Hα-helixtrans-69.2-44.2175.3-176.673.4000111.1M186 C189 T190 T193 S204 L209 I210 L211 Y236 F255M186-L207 HydrophobicContact CE-CD1 3.41Å; M186-L207 VanDerWaalsContact CE-CD1 3.41Å; C189-L207 HydrophobicContact CB-CB 4.3Å; C189-L207 HydrophobicContact CB-CD1 3.96Å; T190-L207 HydrophobicContact CG2-CD1 3.55Å; T193-L207 HydrophobicContact CG2-CB 3.97Å; T193-L207 HydrophobicContact CG2-CD2 4.19Å; S204-L207 PolarHBondContact O-N 2.72Å; L207-L209 PolarHBondContact O-N 3.12Å; L207-I210 PolarHBondContact O-N 3.43Å; L207-L211 HydrophobicContact CG-CD1 4.15Å; L207-L211 WeakPolarHBondContact O-CG 3.5Å; L207-L211 PolarHBondContact O-N 3.42Å; L207-Y236 HydrophobicContact CD1-CD2 4.26Å; L207-Y236 HydrophobicContact CD1-CE2 4.49Å; L207-Y236 HydrophobicContact CD2-CD2 4.42Å; L207-Y236 HydrophobicContact CD2-CE2 3.84Å; L207-F255 HydrophobicContact CD2-CB 4.09Å; L207-F255 HydrophobicContact CD2-CD1 4.08Å; L207-F255 HydrophobicContact CD2-CD2 3.63Å; L207-F255 HydrophobicContact CD2-CE1 4.46Å; L207-F255 HydrophobicContact CD2-CE2 4.04Å; L207-F255 HydrophobicContact CD2-CG 3.65Å; L207-F255 HydrophobicContact CD2-CZ 4.44Å
208E74.4Confident67.9Low56 Ų5651 Ų5126%0.26226%0.256SS..Hα-helixtrans-56.2-41.1177.4-159.6-167.7140.900112.1S204 A205 L211 K212 F255S204-E208 PolarHBondContact O-N 3.28Å; A205-E208 WeakPolarHBondContact O-CB 3.44Å; A205-E208 PolarHBondContact O-N 3.02Å; E208-L211 PolarHBondContact O-N 3.23Å; E208-K212 WeakPolarHBondContact O-CB 3.46Å; E208-K212 WeakPolarHBondContact O-CG 3.38Å; E208-K212 PolarHBondContact O-N 3.38Å; E208-K212 VanDerWaalsContact OE1-CE 3.23Å; E208-K212 WeakPolarHBondContact OE1-CE 3.16Å; E208-K212 IonicContact OE1-NZ 2.84Å; E208-K212 PolarHBondContact OE1-NZ 2.95Å; E208-F255 HydrophobicContact CB-CE1 3.8Å; E208-F255 HydrophobicContact CG-CE1 4.15Å
209L73Confident69.5Low6 Ų649.1 Ų49.13%0.03123%0.231CC..Hα-helixtrans-58.8-47.5176.9-90163.4000113.2N154 L157 T158 A205 N206 L207 K212 A213N154-L209 HydrophobicContact CB-CD2 3.42Å; N154-L209 VanDerWaalsContact CB-CD2 3.42Å; N154-L209 HydrophobicContact CB-CG 4.38Å; N154-L209 WeakPolarHBondContact OD1-CD1 3.5Å; N154-L209 VanDerWaalsContact OD1-CD2 3.29Å; N154-L209 WeakPolarHBondContact OD1-CD2 3.36Å; L157-L209 HydrophobicContact CD2-CB 4.27Å; L157-L209 HydrophobicContact CD2-CD1 3.94Å; L157-L209 HydrophobicContact CD2-CD2 3.87Å; L157-L209 HydrophobicContact CD2-CG 4.27Å; T158-L209 HydrophobicContact CG2-CD2 3.87Å; T158-L209 WeakPolarHBondContact CG2-O 3.48Å; A205-L209 WeakPolarHBondContact O-CB 3.16Å; A205-L209 WeakPolarHBondContact O-CD1 3.4Å; A205-L209 VanDerWaalsContact O-CG 3.31Å; A205-L209 WeakPolarHBondContact O-CG 3.35Å; A205-L209 PolarHBondContact O-N 3.35Å; N206-L209 WeakPolarHBondContact O-CB 3.39Å; L207-L209 PolarHBondContact O-N 3.12Å; L209-K212 PolarHBondContact O-N 2.87Å; L209-A213 PolarHBondContact O-N 2.94Å
210I80Confident70.7Confident4 Ų446.2 Ų46.22%0.02122%0.222CC..Hα-helixtrans-68.1-42.3179.8-60.9158000109.8F113 L161 L185 M186 C189 N206 L207 K212 A213 V214F113-I210 HydrophobicContact CE1-CD1 4.19Å; F113-I210 HydrophobicContact CZ-CD1 4.18Å; F113-I210 HydrophobicContact CZ-CG1 4.05Å; L161-I210 HydrophobicContact CD1-CG1 4.1Å; L185-I210 HydrophobicContact CD2-CD1 3.29Å; L185-I210 HydrophobicContact CD2-CG1 3.99Å; M186-I210 HydrophobicContact CE-CB 3.7Å; M186-I210 HydrophobicContact CE-CD1 3.98Å; M186-I210 HydrophobicContact CE-CG1 4.49Å; M186-I210 HydrophobicContact CE-CG2 3.43Å; M186-I210 VanDerWaalsContact CE-CG2 3.43Å; M186-I210 HydrophobicContact SD-CG2 3.62Å; C189-I210 HydrophobicContact CB-CD1 3.95Å; C189-I210 WeakPolarHBondContact SG-CD1 3.32Å; N206-I210 WeakPolarHBondContact O-CG1 3.36Å; N206-I210 PolarHBondContact O-N 3.03Å; L207-I210 PolarHBondContact O-N 3.43Å; I210-K212 VanDerWaalsContact C-N 3.35Å; I210-K212 PolarHBondContact O-N 3.26Å; I210-A213 WeakPolarHBondContact O-CB 3.35Å; I210-A213 PolarHBondContact O-N 3.06Å; I210-A213 VanDerWaalsContact O-N 3.1Å; I210-V214 WeakPolarHBondContact O-CG2 3.22Å; I210-V214 PolarHBondContact O-N 3.32Å
211L82.9Confident71.5Confident0 Ų044.8 Ų44.80%021%0.209CC..Hα-helixtrans-60.8-43.1175.5-67.8172.4000111.4L207 E208 A213 V214 F215 F255 Y258 V259L207-L211 HydrophobicContact CG-CD1 4.15Å; L207-L211 WeakPolarHBondContact O-CG 3.5Å; L207-L211 PolarHBondContact O-N 3.42Å; E208-L211 PolarHBondContact O-N 3.23Å; L211-A213 VanDerWaalsContact C-N 3.3Å; L211-A213 PolarHBondContact O-N 2.98Å; L211-V214 PolarHBondContact O-N 3.16Å; L211-F215 WeakPolarHBondContact O-CD2 3.46Å; L211-F215 PolarHBondContact O-N 3.39Å; L211-F255 HydrophobicContact CD1-CB 4.4Å; L211-F255 HydrophobicContact CD1-CD1 4.08Å; L211-Y258 HydrophobicContact CB-CE1 4.25Å; L211-Y258 HydrophobicContact CD1-CD1 4.41Å; L211-V259 HydrophobicContact CD1-CG2 3.87Å; L211-V259 HydrophobicContact CD2-CG2 3.82Å; L211-V259 HydrophobicContact CG-CG2 4.39Å
212K79.4Confident72Confident79 Ų7942.5 Ų42.534%0.34320%0.202SC..Hα-helixtrans-58.6-40172.2-81.5175.5169.6165.90112.2T158 E208 L209 I210 R216 Y258T158-K212 HydrophobicContact CG2-CB 3.89Å; E208-K212 WeakPolarHBondContact O-CB 3.46Å; E208-K212 WeakPolarHBondContact O-CG 3.38Å; E208-K212 PolarHBondContact O-N 3.38Å; E208-K212 VanDerWaalsContact OE1-CE 3.23Å; E208-K212 WeakPolarHBondContact OE1-CE 3.16Å; E208-K212 IonicContact OE1-NZ 2.84Å; E208-K212 PolarHBondContact OE1-NZ 2.95Å; L209-K212 PolarHBondContact O-N 2.87Å; I210-K212 VanDerWaalsContact C-N 3.35Å; I210-K212 PolarHBondContact O-N 3.26Å; K212-R216 VanDerWaalsContact O-CB 3.31Å; K212-R216 WeakPolarHBondContact O-CB 3.43Å; K212-R216 PolarHBondContact O-N 3.1Å; K212-Y258 WeakPolarHBondContact CE-OH 3.41Å; K212-Y258 WeakPolarHBondContact CG-OH 3.41Å
213A79.4Confident72.7Confident0 Ų040.8 Ų40.80%020%0.199CC..Hα-helixtrans-66.2-45.4176.100000112T158 L161 V162 F165 L209 I210 L211 F215 R216 V217T158-A213 HydrophobicContact CG2-CB 4.39Å; L161-A213 HydrophobicContact CB-CB 3.56Å; L161-A213 HydrophobicContact CD1-CB 3.98Å; L161-A213 HydrophobicContact CG-CB 4.44Å; V162-A213 HydrophobicContact CG2-CB 4.32Å; F165-A213 HydrophobicContact CE2-CB 4.35Å; L209-A213 PolarHBondContact O-N 2.94Å; I210-A213 WeakPolarHBondContact O-CB 3.35Å; I210-A213 PolarHBondContact O-N 3.06Å; I210-A213 VanDerWaalsContact O-N 3.1Å; L211-A213 VanDerWaalsContact C-N 3.3Å; L211-A213 PolarHBondContact O-N 2.98Å; A213-F215 PolarHBondContact O-N 2.96Å; A213-R216 PolarHBondContact O-N 3.46Å; A213-R216 VanDerWaalsContact O-N 3.13Å; A213-V217 WeakPolarHBondContact O-CG2 3.49Å; A213-V217 PolarHBondContact O-N 3.45Å
214V84.9Confident73.7Confident0 Ų041.8 Ų41.80%021%0.209CC..Hα-helixtrans-55-50.1175.7166.70000110.8F165 I210 L211 R216 V217 L218 A229 L233F165-V214 HydrophobicContact CE1-CG2 4.41Å; F165-V214 HydrophobicContact CE2-CG2 4.06Å; F165-V214 HydrophobicContact CZ-CG2 3.69Å; I210-V214 WeakPolarHBondContact O-CG2 3.22Å; I210-V214 PolarHBondContact O-N 3.32Å; L211-V214 PolarHBondContact O-N 3.16Å; V214-R216 VanDerWaalsContact C-N 3.31Å; V214-R216 PolarHBondContact O-N 2.92Å; V214-V217 WeakPolarHBondContact O-CB 3.32Å; V214-V217 PolarHBondContact O-N 3.48Å; V214-L218 HydrophobicContact CG1-CD1 4.24Å; V214-L218 WeakPolarHBondContact O-CG 3.43Å; V214-L218 PolarHBondContact O-N 3.43Å; V214-A229 HydrophobicContact CG1-CB 4.26Å; V214-L233 HydrophobicContact CG1-CD1 3.73Å; V214-L233 HydrophobicContact CG1-CG 4.24Å
215F83.2Confident74.3Confident14 Ų1440.5 Ų40.56%0.06120%0.199CC..Hα-helixtrans-69.4-27.4179-74.9-59.8000113.6L211 A213 L218 K219 L233 V259 T262 A263 L266L211-F215 WeakPolarHBondContact O-CD2 3.46Å; L211-F215 PolarHBondContact O-N 3.39Å; A213-F215 PolarHBondContact O-N 2.96Å; F215-L218 HydrophobicContact CD1-CD1 3.77Å; F215-L218 HydrophobicContact CE1-CD1 4.13Å; F215-K219 WeakPolarHBondContact O-CB 3.36Å; F215-K219 PolarHBondContact O-N 3.37Å; F215-K219 VanDerWaalsContact O-N 3.1Å; F215-L233 HydrophobicContact CE1-CD1 4.42Å; F215-L233 HydrophobicContact CZ-CD1 4.3Å; F215-V259 HydrophobicContact CE2-CG1 4.46Å; F215-V259 HydrophobicContact CE2-CG2 4.3Å; F215-V259 HydrophobicContact CZ-CB 4.48Å; F215-V259 HydrophobicContact CZ-CG1 4.03Å; F215-V259 WeakPolarHBondContact CZ-O 3.45Å; F215-T262 WeakPolarHBondContact CD2-OG1 3.37Å; F215-T262 WeakPolarHBondContact CE2-OG1 3.48Å; F215-T262 WeakPolarHBondContact CZ-OG1 3.42Å; F215-A263 HydrophobicContact CE1-CB 3.95Å; F215-A263 HydrophobicContact CZ-CB 4.23Å; F215-L266 HydrophobicContact CB-CD1 3.99Å; F215-L266 HydrophobicContact CD1-CD1 3.26Å; F215-L266 HydrophobicContact CE1-CD1 4.02Å; F215-L266 HydrophobicContact CG-CD1 3.97Å
216R79Confident75.2Confident125 Ų12540.3 Ų40.347%0.47220%0.196SC..Hα-helixtrans-71.3-33.2172.8-167162.5-173.8143.2-1.9112.5V162 K212 A213 V214 K219 T220V162-R216 HydrophobicContact CG2-CB 3.87Å; V162-R216 HydrophobicContact CG2-CG 4Å; K212-R216 VanDerWaalsContact O-CB 3.31Å; K212-R216 WeakPolarHBondContact O-CB 3.43Å; K212-R216 PolarHBondContact O-N 3.1Å; A213-R216 PolarHBondContact O-N 3.46Å; A213-R216 VanDerWaalsContact O-N 3.13Å; V214-R216 VanDerWaalsContact C-N 3.31Å; V214-R216 PolarHBondContact O-N 2.92Å; R216-K219 PolarHBondContact O-N 3.23Å; R216-T220 PolarHBondContact O-N 2.65Å; R216-T220 PolarHBondContact O-OG1 3.44Å
217V79.1Confident75.9Confident1 Ų142.4 Ų42.41%0.00621%0.212CC..Hα-helixtrans-65.5-49171.1172.90000110.3V162 F165 A213 V214 K219 T220 K221 V225 A229V162-V217 HydrophobicContact CB-CG2 4.27Å; V162-V217 HydrophobicContact CG1-CG2 4.14Å; V162-V217 HydrophobicContact CG2-CG2 4.01Å; F165-V217 HydrophobicContact CB-CG2 3.63Å; F165-V217 HydrophobicContact CD2-CG2 4.02Å; F165-V217 HydrophobicContact CG-CG2 3.97Å; A213-V217 WeakPolarHBondContact O-CG2 3.49Å; A213-V217 PolarHBondContact O-N 3.45Å; V214-V217 WeakPolarHBondContact O-CB 3.32Å; V214-V217 PolarHBondContact O-N 3.48Å; V217-K219 PolarHBondContact O-N 2.95Å; V217-K219 VanDerWaalsContact O-N 3.09Å; V217-T220 PolarHBondContact O-N 3.2Å; V217-K221 PolarHBondContact O-N 3.48Å; V217-V225 HydrophobicContact CG1-CB 4.22Å; V217-V225 HydrophobicContact CG1-CG1 3.53Å; V217-A229 HydrophobicContact CG1-CB 4.48Å
218L79.4Confident76.4Confident0 Ų043.7 Ų43.70%022%0.22CC..Hα-helixtrans-58.2-22.5175.4-68.7169.8000112.9V214 F215 Y226 L230 A281V214-L218 HydrophobicContact CG1-CD1 4.24Å; V214-L218 WeakPolarHBondContact O-CG 3.43Å; V214-L218 PolarHBondContact O-N 3.43Å; F215-L218 HydrophobicContact CD1-CD1 3.77Å; F215-L218 HydrophobicContact CE1-CD1 4.13Å; L218-Y226 HydrophobicContact CD2-CD1 3.76Å; L218-Y226 HydrophobicContact CD2-CE1 4.06Å; L218-Y226 HydrophobicContact CD2-CG 4.09Å; L218-Y226 PolarHBondContact O-OH 2.9Å; L218-L230 HydrophobicContact CD2-CD2 4.4Å; L218-A281 HydrophobicContact CD1-CB 4.15Å
219K76.4Confident76.8Confident91 Ų9141 Ų4140%0.39621%0.207SC..THydrogen-bonded Turntrans-83.9-19.4177.5-164.5175.4-176.5171.30114.7F215 R216 V217 L266 A274F215-K219 WeakPolarHBondContact O-CB 3.36Å; F215-K219 PolarHBondContact O-N 3.37Å; F215-K219 VanDerWaalsContact O-N 3.1Å; R216-K219 PolarHBondContact O-N 3.23Å; V217-K219 PolarHBondContact O-N 2.95Å; V217-K219 VanDerWaalsContact O-N 3.09Å; K219-L266 HydrophobicContact CB-CD2 3.93Å; K219-L266 HydrophobicContact CD-CD2 4.24Å; K219-L266 HydrophobicContact CG-CD2 4.03Å; K219-A274 HydrophobicContact CB-CB 4.16Å; K219-A274 HydrophobicContact CG-CB 3.66Å
220T67.4Low77.4Confident58 Ų5841.6 Ų41.636%0.35621%0.21SC..THydrogen-bonded Turntrans-127.6-24.5-160.449.50000117.2R216 V217R216-T220 PolarHBondContact O-N 2.65Å; R216-T220 PolarHBondContact O-OG1 3.44Å; V217-T220 PolarHBondContact O-N 3.2Å
221K62Low77.6Confident53 Ų5343.7 Ų43.723%0.2323%0.225CC..  trans-126.6164.9-166.4-70.9-158.3173.1-168.80114.7S166 V217 V225 Y226S166-K221 PolarHBondContact OG-NZ 3.25Å; V217-K221 PolarHBondContact O-N 3.48Å; K221-V225 HydrophobicContact CB-CG2 4.47Å; K221-Y226 WeakPolarHBondContact O-CE1 3.25Å; K221-Y226 PolarHBondContact O-OH 3.47Å
222S61.2Low77.6Confident76 Ų7643.8 Ų43.853%0.53123%0.226SC..  trans-74.1162.6-175.851.20000114.2H224 V225S222-H224 PolarHBondContact O-N 3.47Å; S222-V225 PolarHBondContact O-N 2.96Å; S222-V225 VanDerWaalsContact O-N 3.17Å
223D66Low77.9Confident94 Ų9440.4 Ų40.450%0.50321%0.212SC..THydrogen-bonded Turntrans-47.4-21.6-169.9-62.3-18.9000116.8V225 P227D223-V225 VanDerWaalsContact C-N 3.35Å; D223-V225 PolarHBondContact O-N 3.37Å; D223-P227 VanDerWaalsContact O-CD 3.28Å; D223-P227 WeakPolarHBondContact O-CD 3.28Å
224H72.9Confident78.3Confident138 Ų13843.2 Ų43.264%0.63922%0.224SC*.THydrogen-bonded Turntrans-71-24.9-178.9-54.4-52.9000114.1S222S222-H224 PolarHBondContact O-N 3.47Å
225V73.4Confident78.2Confident9 Ų943.5 Ų43.56%0.05523%0.226CC..THydrogen-bonded Turntrans-92.8-24-176.5-169.30000112.2F165 V217 K221 S222 D223 P227 V228 A229F165-V225 HydrophobicContact CB-CG1 4.3Å; F165-V225 VanDerWaalsContact O-CG1 3.29Å; F165-V225 WeakPolarHBondContact O-CG1 3.4Å; V217-V225 HydrophobicContact CG1-CB 4.22Å; V217-V225 HydrophobicContact CG1-CG1 3.53Å; K221-V225 HydrophobicContact CB-CG2 4.47Å; S222-V225 PolarHBondContact O-N 2.96Å; S222-V225 VanDerWaalsContact O-N 3.17Å; D223-V225 VanDerWaalsContact C-N 3.35Å; D223-V225 PolarHBondContact O-N 3.37Å; V225-P227 VanDerWaalsContact C-CD 3.44Å; V225-V228 PolarHBondContact O-N 2.96Å; V225-A229 PolarHBondContact O-N 2.94Å
226Y81.7Confident78.4Confident7 Ų743.2 Ų43.23%0.02722%0.224CC..Hα-helixtrans-58.4-40.1-178.1-66.3-10.7000114.7L218 K221 V228 A229 L230 E273 V276 F280L218-Y226 HydrophobicContact CD2-CD1 3.76Å; L218-Y226 HydrophobicContact CD2-CE1 4.06Å; L218-Y226 HydrophobicContact CD2-CG 4.09Å; L218-Y226 PolarHBondContact O-OH 2.9Å; K221-Y226 WeakPolarHBondContact O-CE1 3.25Å; K221-Y226 PolarHBondContact O-OH 3.47Å; Y226-V228 VanDerWaalsContact C-N 3.31Å; Y226-V228 PolarHBondContact O-N 3.28Å; Y226-A229 PolarHBondContact O-N 3.22Å; Y226-L230 WeakPolarHBondContact O-CB 3.41Å; Y226-L230 WeakPolarHBondContact O-CD1 3.3Å; Y226-L230 WeakPolarHBondContact O-CG 3.47Å; Y226-L230 PolarHBondContact O-N 3.27Å; Y226-E273 PolarHBondContact OH-O 3.49Å; Y226-E273 VanDerWaalsContact OH-O 3.1Å; Y226-V276 HydrophobicContact CE2-CG1 4.29Å; Y226-F280 HydrophobicContact CD2-CD2 4.02Å; Y226-F280 HydrophobicContact CD2-CE2 4.41Å; Y226-F280 HydrophobicContact CE2-CD2 4.36Å
227P84.4Confident78.7Confident80 Ų8037.3 Ų37.352%0.51920%0.202SC..Hα-helixtrans-58.6-40.4-178.5-2533.8000113.4D223 V225 S231D223-P227 VanDerWaalsContact O-CD 3.28Å; D223-P227 WeakPolarHBondContact O-CD 3.28Å; V225-P227 VanDerWaalsContact C-CD 3.44Å; P227-S231 VanDerWaalsContact O-CB 3.23Å; P227-S231 WeakPolarHBondContact O-CB 3.34Å; P227-S231 PolarHBondContact O-N 3.41Å
228V83.3Confident79Confident27 Ų2742.6 Ų42.616%0.16423%0.227CC..Hα-helixtrans-68.8-44.2179.8-177.60000110.6F165 A168 A179 V225 Y226 S231 C232F165-V228 HydrophobicContact CD1-CG1 4.3Å; F165-V228 HydrophobicContact CE1-CG1 4.43Å; A168-V228 HydrophobicContact CB-CG1 4.21Å; A168-V228 HydrophobicContact CB-CG2 4.42Å; A179-V228 HydrophobicContact CB-CG1 4.13Å; V225-V228 PolarHBondContact O-N 2.96Å; Y226-V228 VanDerWaalsContact C-N 3.31Å; Y226-V228 PolarHBondContact O-N 3.28Å; V228-S231 PolarHBondContact O-N 2.91Å; V228-C232 PolarHBondContact O-N 3.41Å; V228-C232 VanDerWaalsContact O-N 3.14Å; V228-C232 PolarHBondContact O-SG 2.99Å
229A84.5Confident79Confident0 Ų043.3 Ų43.30%023%0.231CC..Hα-helixtrans-63.5-43.9178.100000112V214 V217 V225 Y226 C232 L233V214-A229 HydrophobicContact CG1-CB 4.26Å; V217-A229 HydrophobicContact CG1-CB 4.48Å; V225-A229 PolarHBondContact O-N 2.94Å; Y226-A229 PolarHBondContact O-N 3.22Å; A229-C232 PolarHBondContact O-N 3.3Å; A229-L233 PolarHBondContact O-N 3.37Å
230L85.5Confident79.3Confident18 Ų1839 Ų399%0.09421%0.212CC..Hα-helixtrans-68.7-36177.7-65.3166000112.1L218 Y226 C232 L233 K234 F280 A281L218-L230 HydrophobicContact CD2-CD2 4.4Å; Y226-L230 WeakPolarHBondContact O-CB 3.41Å; Y226-L230 WeakPolarHBondContact O-CD1 3.3Å; Y226-L230 WeakPolarHBondContact O-CG 3.47Å; Y226-L230 PolarHBondContact O-N 3.27Å; L230-C232 VanDerWaalsContact C-N 3.33Å; L230-C232 PolarHBondContact O-N 3.46Å; L230-L233 WeakPolarHBondContact O-CB 3.5Å; L230-L233 PolarHBondContact O-N 3.31Å; L230-K234 PolarHBondContact O-N 2.84Å; L230-F280 HydrophobicContact CD1-CB 3.96Å; L230-F280 HydrophobicContact CD1-CD1 4.48Å; L230-A281 HydrophobicContact CD2-CB 4.37Å
231S83.4Confident80Confident48 Ų4840.9 Ų40.934%0.33621%0.213SC..Hα-helixtrans-62.2-38.4173.9-176.50000112.3P227 V228 K234 S235P227-S231 VanDerWaalsContact O-CB 3.23Å; P227-S231 WeakPolarHBondContact O-CB 3.34Å; P227-S231 PolarHBondContact O-N 3.41Å; V228-S231 PolarHBondContact O-N 2.91Å; S231-K234 PolarHBondContact O-N 3.29Å; S231-S235 WeakPolarHBondContact O-CB 3.39Å; S231-S235 PolarHBondContact O-N 2.88Å; S231-S235 PolarHBondContact O-OG 3.2Å
232C83.9Confident81Confident2 Ų245.8 Ų45.81%0.01424%0.237CC..Hα-helixtrans-64.6-41.2172.9-64.10000111.6M186 V228 A229 L230 S235 Y236M186-C232 HydrophobicContact CG-CB 4.25Å; M186-C232 HydrophobicContact SD-CB 4.17Å; V228-C232 PolarHBondContact O-N 3.41Å; V228-C232 VanDerWaalsContact O-N 3.14Å; V228-C232 PolarHBondContact O-SG 2.99Å; A229-C232 PolarHBondContact O-N 3.3Å; L230-C232 VanDerWaalsContact C-N 3.33Å; L230-C232 PolarHBondContact O-N 3.46Å; C232-S235 WeakPolarHBondContact O-CB 3.43Å; C232-S235 PolarHBondContact O-N 3.4Å; C232-Y236 PolarHBondContact O-N 3.29Å
233L85.7Confident81.6Confident8 Ų845 Ų454%0.04223%0.231CC..Hα-helixtrans-62.9-42.7175.6-112.5163.9000112.6V214 F215 A229 L230 Y236 F237 V259V214-L233 HydrophobicContact CG1-CD1 3.73Å; V214-L233 HydrophobicContact CG1-CG 4.24Å; F215-L233 HydrophobicContact CE1-CD1 4.42Å; F215-L233 HydrophobicContact CZ-CD1 4.3Å; A229-L233 PolarHBondContact O-N 3.37Å; L230-L233 WeakPolarHBondContact O-CB 3.5Å; L230-L233 PolarHBondContact O-N 3.31Å; L233-Y236 WeakPolarHBondContact O-CB 3.31Å; L233-Y236 PolarHBondContact O-N 3.36Å; L233-F237 HydrophobicContact CD2-CE2 4Å; L233-F237 WeakPolarHBondContact O-CD2 3.1Å; L233-V259 HydrophobicContact CD2-CG1 3.47Å; L233-V259 VanDerWaalsContact CD2-CG1 3.47Å; L233-V259 HydrophobicContact CD2-CG2 4.29Å
234K86.4Confident82.1Confident59 Ų5943.4 Ų43.426%0.25722%0.222SC..Hα-helixtrans-62.1-44.2173.4-71.3-166.4174.3-174.30111.6L230 S231 Y236 F237 E238 S284 E287 T288L230-K234 PolarHBondContact O-N 2.84Å; S231-K234 PolarHBondContact O-N 3.29Å; K234-Y236 VanDerWaalsContact C-N 3.26Å; K234-Y236 PolarHBondContact O-N 3.2Å; K234-F237 PolarHBondContact O-N 2.93Å; K234-F237 VanDerWaalsContact O-N 3.16Å; K234-E238 WeakPolarHBondContact O-CG 3.49Å; K234-E238 PolarHBondContact O-N 2.94Å; K234-S284 WeakPolarHBondContact CE-OG 3.44Å; K234-E287 IonicContact NZ-OE2 2.89Å; K234-E287 PolarHBondContact NZ-OE2 3.41Å; K234-T288 HydrophobicContact CB-CG2 4.36Å; K234-T288 HydrophobicContact CD-CG2 4.08Å; K234-T288 HydrophobicContact CG-CG2 3.81Å
235S83Confident82.2Confident6 Ų639.2 Ų39.24%0.04222%0.217CC..Hα-helixtrans-59.7-36.5178.7-52.90000112K183 S231 C232 I239K183-S235 WeakPolarHBondContact CE-OG 3.33Å; S231-S235 WeakPolarHBondContact O-CB 3.39Å; S231-S235 PolarHBondContact O-N 2.88Å; S231-S235 PolarHBondContact O-OG 3.2Å; C232-S235 WeakPolarHBondContact O-CB 3.43Å; C232-S235 PolarHBondContact O-N 3.4Å; S235-I239 WeakPolarHBondContact O-CB 3.36Å; S235-I239 VanDerWaalsContact O-CD1 3.26Å; S235-I239 WeakPolarHBondContact O-CD1 3.49Å; S235-I239 WeakPolarHBondContact O-CG1 3.45Å; S235-I239 PolarHBondContact O-N 2.94Å
236Y86.7Confident82.5Confident7 Ų742.5 Ų42.53%0.02723%0.234CC..Hα-helixtrans-56-52174.2165.1-89.2000111.9T190 L207 C232 L233 K234 A240 T253 F255 A256T190-Y236 HydrophobicContact CG2-CD2 3.22Å; T190-Y236 HydrophobicContact CG2-CE2 3.82Å; T190-Y236 HydrophobicContact CG2-CG 4.15Å; L207-Y236 HydrophobicContact CD1-CD2 4.26Å; L207-Y236 HydrophobicContact CD1-CE2 4.49Å; L207-Y236 HydrophobicContact CD2-CD2 4.42Å; L207-Y236 HydrophobicContact CD2-CE2 3.84Å; C232-Y236 PolarHBondContact O-N 3.29Å; L233-Y236 WeakPolarHBondContact O-CB 3.31Å; L233-Y236 PolarHBondContact O-N 3.36Å; K234-Y236 VanDerWaalsContact C-N 3.26Å; K234-Y236 PolarHBondContact O-N 3.2Å; Y236-A240 VanDerWaalsContact O-CB 3.32Å; Y236-A240 WeakPolarHBondContact O-CB 3.36Å; Y236-A240 PolarHBondContact O-N 3.26Å; Y236-T253 PolarHBondContact OH-OG1 2.92Å; Y236-F255 HydrophobicContact CE2-CB 4.33Å; Y236-F255 WeakPolarHBondContact OH-CB 3.4Å; Y236-A256 PolarHBondContact OH-N 3.45Å
237F85.6Confident82.4Confident2 Ų245.5 Ų45.51%0.00925%0.245CC..Hα-helixtrans-69.6-38.7-178-72.8-72000112.4L233 K234 I239 A240 Y241 V250 A256 V259 L285 L289L233-F237 HydrophobicContact CD2-CE2 4Å; L233-F237 WeakPolarHBondContact O-CD2 3.1Å; K234-F237 PolarHBondContact O-N 2.93Å; K234-F237 VanDerWaalsContact O-N 3.16Å; F237-I239 PolarHBondContact O-N 3.12Å; F237-A240 PolarHBondContact O-N 2.9Å; F237-Y241 WeakPolarHBondContact O-CB 3.42Å; F237-Y241 PolarHBondContact O-N 2.99Å; F237-V250 HydrophobicContact CD1-CG1 4.3Å; F237-A256 HydrophobicContact CE1-CB 4.05Å; F237-V259 HydrophobicContact CE2-CG1 4.05Å; F237-V259 HydrophobicContact CZ-CB 4.43Å; F237-V259 HydrophobicContact CZ-CG1 3.94Å; F237-L285 HydrophobicContact CD2-CD2 4.32Å; F237-L285 HydrophobicContact CE2-CD2 3.37Å; F237-L285 HydrophobicContact CZ-CD2 3.64Å; F237-L289 HydrophobicContact CD1-CD2 3.98Å; F237-L289 HydrophobicContact CE1-CD2 3.96Å
238E85.6Confident81.8Confident111 Ų11148.3 Ų48.352%0.51925%0.251SS..Hα-helixtrans-60.2-45.5176.3-72.6171-177.200111.4K234 Y241 E242K234-E238 WeakPolarHBondContact O-CG 3.49Å; K234-E238 PolarHBondContact O-N 2.94Å; E238-Y241 PolarHBondContact O-N 3.17Å; E238-E242 WeakPolarHBondContact O-CG 3.5Å; E238-E242 PolarHBondContact O-N 2.98Å
239I80.7Confident81.4Confident16 Ų1652.6 Ų52.68%0.08227%0.268CS..Hα-helixtrans-72.2-39.3-179.9-64.6161.6000111.6K187 L191 S235 F237 Y241 E242 S243K187-I239 HydrophobicContact CB-CD1 3.57Å; K187-I239 HydrophobicContact CD-CD1 4.11Å; K187-I239 HydrophobicContact CG-CD1 3.6Å; L191-I239 HydrophobicContact CD2-CG2 4.18Å; L191-I239 HydrophobicContact CG-CG2 4.06Å; S235-I239 WeakPolarHBondContact O-CB 3.36Å; S235-I239 VanDerWaalsContact O-CD1 3.26Å; S235-I239 WeakPolarHBondContact O-CD1 3.49Å; S235-I239 WeakPolarHBondContact O-CG1 3.45Å; S235-I239 PolarHBondContact O-N 2.94Å; F237-I239 PolarHBondContact O-N 3.12Å; I239-Y241 VanDerWaalsContact C-N 3.27Å; I239-Y241 PolarHBondContact O-N 3.48Å; I239-E242 PolarHBondContact O-N 3.28Å; I239-S243 WeakPolarHBondContact O-CB 3.37Å; I239-S243 PolarHBondContact O-N 3.38Å; I239-S243 PolarHBondContact O-OG 3.08Å
240A81.3Confident81Confident0 Ų052.6 Ų52.60%027%0.268CS..Hα-helixtrans-61.4-39.6175.100000111.1L194 Y236 F237 S243 L244 V250L194-A240 HydrophobicContact CD1-CB 4.19Å; Y236-A240 VanDerWaalsContact O-CB 3.32Å; Y236-A240 WeakPolarHBondContact O-CB 3.36Å; Y236-A240 PolarHBondContact O-N 3.26Å; F237-A240 PolarHBondContact O-N 2.9Å; A240-S243 PolarHBondContact O-OG 3.09Å; A240-S243 VanDerWaalsContact O-OG 3.1Å; A240-L244 WeakPolarHBondContact O-CB 3.25Å; A240-L244 PolarHBondContact O-N 3.15Å; A240-V250 HydrophobicContact CB-CG1 4.01Å; A240-V250 HydrophobicContact CB-CG2 4.33Å
241Y83.6Confident80.3Confident97 Ų9753.6 Ų53.638%0.3827%0.273SS..Hα-helixtrans-68.7-45.3174.2179.8-100.4000112.5F237 E238 I239 S243 L244 G245 W247F237-Y241 WeakPolarHBondContact O-CB 3.42Å; F237-Y241 PolarHBondContact O-N 2.99Å; E238-Y241 PolarHBondContact O-N 3.17Å; I239-Y241 VanDerWaalsContact C-N 3.27Å; I239-Y241 PolarHBondContact O-N 3.48Å; Y241-S243 PolarHBondContact O-N 3.41Å; Y241-L244 PolarHBondContact O-N 3Å; Y241-G245 WeakPolarHBondContact O-CA 3.41Å; Y241-G245 PolarHBondContact O-N 3.4Å; Y241-W247 AromaticContact CD2-CD2 3.79Å; Y241-W247 HydrophobicContact CD2-CD2 3.79Å; Y241-W247 AromaticContact CD2-CE2 3.54Å; Y241-W247 HydrophobicContact CD2-CE3 4.36Å; Y241-W247 HydrophobicContact CD2-CG 4.08Å; Y241-W247 HydrophobicContact CD2-CH2 4.48Å; Y241-W247 AromaticContact CD2-CZ2 3.93Å; Y241-W247 HydrophobicContact CD2-CZ2 3.93Å; Y241-W247 AromaticContact CD2-NE1 3.67Å; Y241-W247 AromaticContact CE2-CD1 3.61Å; Y241-W247 HydrophobicContact CE2-CD2 4.2Å; Y241-W247 AromaticContact CE2-CE2 3.78Å; Y241-W247 HydrophobicContact CE2-CG 4.1Å; Y241-W247 HydrophobicContact CE2-CZ2 4.41Å; Y241-W247 AromaticContact CE2-NE1 3.38Å; Y241-W247 HydrophobicContact CG-CH2 4.4Å; Y241-W247 HydrophobicContact CG-CZ2 4.02Å
242E82.4Confident79.7Confident156 Ų15658.8 Ų58.873%0.72929%0.292SS*.Hα-helixtrans-58.3-32.1176.8-82.1-176.6167.600113E238 I239E238-E242 WeakPolarHBondContact O-CG 3.5Å; E238-E242 PolarHBondContact O-N 2.98Å; I239-E242 PolarHBondContact O-N 3.28Å
243S73.8Confident79.1Confident59 Ų5959.7 Ų59.741%0.41330%0.297SS..Hα-helixtrans-89.6-36.2-177.950.90000114.3L194 I239 A240 Y241L194-S243 VanDerWaalsContact CD1-OG 3.27Å; L194-S243 WeakPolarHBondContact CD1-OG 3.39Å; I239-S243 WeakPolarHBondContact O-CB 3.37Å; I239-S243 PolarHBondContact O-N 3.38Å; I239-S243 PolarHBondContact O-OG 3.08Å; A240-S243 PolarHBondContact O-OG 3.09Å; A240-S243 VanDerWaalsContact O-OG 3.1Å; Y241-S243 PolarHBondContact O-N 3.41Å
244L76Confident78.3Confident61 Ų6164 Ų6432%0.31933%0.326SS..Hα-helixtrans-94.1-24-178.9-70.2165.7000113.8L194 A240 Y241 D246 V250 T253L194-L244 HydrophobicContact CD2-CD1 3.85Å; L194-L244 HydrophobicContact CD2-CG 4.29Å; A240-L244 WeakPolarHBondContact O-CB 3.25Å; A240-L244 PolarHBondContact O-N 3.15Å; Y241-L244 PolarHBondContact O-N 3Å; L244-D246 PolarHBondContact O-N 3.07Å; L244-V250 HydrophobicContact CB-CG2 4.11Å; L244-V250 HydrophobicContact CD1-CG2 3.86Å; L244-T253 HydrophobicContact CD1-CG2 3.81Å
245G75.5Confident77.7Confident51 Ų5162.7 Ų62.753%0.52632%0.32SS..  trans75.9-7.6176.400000116.4Y241Y241-G245 WeakPolarHBondContact O-CA 3.41Å; Y241-G245 PolarHBondContact O-N 3.4Å
246D79.8Confident77.4Confident78 Ų7862.4 Ų62.442%0.41732%0.319SS..  trans-143.4132.3-172.7-148.4-13.2000112.6L244 E248 K249 V250L244-D246 PolarHBondContact O-N 3.07Å; D246-E248 PolarHBondContact O-N 3.15Å; D246-K249 HydrophobicContact CB-CD 4.31Å; D246-K249 HydrophobicContact CB-CG 4.41Å; D246-K249 PolarHBondContact O-N 3.01Å; D246-V250 WeakPolarHBondContact O-CG2 3.31Å; D246-V250 PolarHBondContact O-N 3.19Å
247W79.3Confident76.8Confident69 Ų6965 Ų6526%0.26134%0.337SS..Hα-helixtrans-69.1-32.5-173.1-77.7109.9000113.3Y241 V250 L251 L289 P290Y241-W247 AromaticContact CD2-CD2 3.79Å; Y241-W247 HydrophobicContact CD2-CD2 3.79Å; Y241-W247 AromaticContact CD2-CE2 3.54Å; Y241-W247 HydrophobicContact CD2-CE3 4.36Å; Y241-W247 HydrophobicContact CD2-CG 4.08Å; Y241-W247 HydrophobicContact CD2-CH2 4.48Å; Y241-W247 AromaticContact CD2-CZ2 3.93Å; Y241-W247 HydrophobicContact CD2-CZ2 3.93Å; Y241-W247 AromaticContact CD2-NE1 3.67Å; Y241-W247 AromaticContact CE2-CD1 3.61Å; Y241-W247 HydrophobicContact CE2-CD2 4.2Å; Y241-W247 AromaticContact CE2-CE2 3.78Å; Y241-W247 HydrophobicContact CE2-CG 4.1Å; Y241-W247 HydrophobicContact CE2-CZ2 4.41Å; Y241-W247 AromaticContact CE2-NE1 3.38Å; Y241-W247 HydrophobicContact CG-CH2 4.4Å; Y241-W247 HydrophobicContact CG-CZ2 4.02Å; W247-V250 HydrophobicContact CE3-CB 4.45Å; W247-V250 HydrophobicContact CE3-CG1 4.4Å; W247-V250 HydrophobicContact CZ3-CG1 4.49Å; W247-V250 PolarHBondContact O-N 2.9Å; W247-L251 WeakPolarHBondContact O-CB 3.48Å; W247-L251 WeakPolarHBondContact O-CG 3.21Å; W247-L251 PolarHBondContact O-N 3.4Å; W247-L289 HydrophobicContact CE3-CD2 4.32Å; W247-L289 HydrophobicContact CZ3-CD2 4.04Å; W247-P290 HydrophobicContact CB-CG 4.06Å; W247-P290 HydrophobicContact CD2-CG 4.4Å; W247-P290 HydrophobicContact CG-CG 4.12Å
248E72.2Confident76.3Confident139 Ų13966.8 Ų66.865%0.6534%0.344SS*.Hα-helixtrans-63.1-44.2177.2-70-169.714800111.1D246 V250 L251 E252D246-E248 PolarHBondContact O-N 3.15Å; E248-V250 VanDerWaalsContact C-N 3.32Å; E248-V250 PolarHBondContact O-N 3.04Å; E248-L251 PolarHBondContact O-N 2.99Å; E248-E252 WeakPolarHBondContact O-CG 3.5Å; E248-E252 PolarHBondContact O-N 3.04Å
249K74.6Confident76.1Confident117 Ų11761.5 Ų61.551%0.50932%0.319SS..Hα-helixtrans-66.2-34.7176.6-66.3-179.7-176.9169.40112.5D246 T253D246-K249 HydrophobicContact CB-CD 4.31Å; D246-K249 HydrophobicContact CB-CG 4.41Å; D246-K249 PolarHBondContact O-N 3.01Å; K249-T253 WeakPolarHBondContact O-CG2 3.43Å; K249-T253 PolarHBondContact O-N 2.8Å
250V75.3Confident76Confident0 Ų061.2 Ų61.20%032%0.318CS..Hα-helixtrans-66.1-42.5174.3174.60000110.6F237 A240 L244 D246 W247 E248 E252 T253 A256F237-V250 HydrophobicContact CD1-CG1 4.3Å; A240-V250 HydrophobicContact CB-CG1 4.01Å; A240-V250 HydrophobicContact CB-CG2 4.33Å; L244-V250 HydrophobicContact CB-CG2 4.11Å; L244-V250 HydrophobicContact CD1-CG2 3.86Å; D246-V250 WeakPolarHBondContact O-CG2 3.31Å; D246-V250 PolarHBondContact O-N 3.19Å; W247-V250 HydrophobicContact CE3-CB 4.45Å; W247-V250 HydrophobicContact CE3-CG1 4.4Å; W247-V250 HydrophobicContact CZ3-CG1 4.49Å; W247-V250 PolarHBondContact O-N 2.9Å; E248-V250 VanDerWaalsContact C-N 3.32Å; E248-V250 PolarHBondContact O-N 3.04Å; V250-E252 VanDerWaalsContact C-N 3.33Å; V250-E252 PolarHBondContact O-N 3.41Å; V250-T253 WeakPolarHBondContact O-CB 3.37Å; V250-T253 PolarHBondContact O-N 3.16Å; V250-T253 VanDerWaalsContact O-N 3.13Å; V250-T253 PolarHBondContact O-OG1 3.47Å; V250-A256 VanDerWaalsContact O-CB 3.26Å; V250-A256 WeakPolarHBondContact O-CB 3.48Å
251L71.4Confident75.7Confident39 Ų3965 Ų6520%0.20434%0.336CS..Hα-helixtrans-69.3-29.6179-74.1168.5000112.9W247 E248 T253 C257 L289 P290 W293W247-L251 WeakPolarHBondContact O-CB 3.48Å; W247-L251 WeakPolarHBondContact O-CG 3.21Å; W247-L251 PolarHBondContact O-N 3.4Å; E248-L251 PolarHBondContact O-N 2.99Å; L251-T253 PolarHBondContact O-N 3.23Å; L251-C257 PolarHBondContact O-SG 3.38Å; L251-C257 VanDerWaalsContact O-SG 3.37Å; L251-L289 HydrophobicContact CD2-CD2 4.06Å; L251-P290 HydrophobicContact CD1-CG 4.41Å; L251-W293 HydrophobicContact CD1-CB 4.15Å; L251-W293 HydrophobicContact CD2-CB 4.44Å; L251-W293 HydrophobicContact CD2-CG 4.15Å
252E71.5Confident75.3Confident158 Ų15861.5 Ų61.574%0.73833%0.325SS*.THydrogen-bonded Turntrans-73-12.2172-73-178.7172.600113.2E248 V250E248-E252 WeakPolarHBondContact O-CG 3.5Å; E248-E252 PolarHBondContact O-N 3.04Å; V250-E252 VanDerWaalsContact C-N 3.33Å; V250-E252 PolarHBondContact O-N 3.41Å
253T71.4Confident75.2Confident20 Ų2054.1 Ų54.112%0.12329%0.29CS..SBendtrans-65.5134.7175.265.50000110.8L194 Y236 L244 K249 V250 L251 F255 A256 C257L194-T253 HydrophobicContact CD2-CG2 4.36Å; Y236-T253 PolarHBondContact OH-OG1 2.92Å; L244-T253 HydrophobicContact CD1-CG2 3.81Å; K249-T253 WeakPolarHBondContact O-CG2 3.43Å; K249-T253 PolarHBondContact O-N 2.8Å; V250-T253 WeakPolarHBondContact O-CB 3.37Å; V250-T253 PolarHBondContact O-N 3.16Å; V250-T253 VanDerWaalsContact O-N 3.13Å; V250-T253 PolarHBondContact O-OG1 3.47Å; L251-T253 PolarHBondContact O-N 3.23Å; T253-F255 PolarHBondContact O-N 2.88Å; T253-A256 PolarHBondContact O-N 3.32Å; T253-A256 WeakPolarHBondContact OG1-CB 3.46Å; T253-C257 PolarHBondContact O-N 3.37Å
254P67.9Low75.4Confident99 Ų9951.8 Ų51.864%0.64327%0.273SS*.Hα-helixtrans-59.2-29.2-174.620.1-31.6000113.1Y258P254-Y258 WeakPolarHBondContact O-CB 3.45Å; P254-Y258 PolarHBondContact O-N 3.44Å; P254-Y258 VanDerWaalsContact O-N 3.08Å
255F74.5Confident75.3Confident31 Ų3151.5 Ų51.514%0.13627%0.273CS..Hα-helixtrans-78.3-29.7178.8-68.8-70.9000113.8S204 L207 E208 L211 Y236 T253 Y258 V259S204-F255 VanDerWaalsContact O-CZ 3.28Å; S204-F255 WeakPolarHBondContact O-CZ 3.38Å; L207-F255 HydrophobicContact CD2-CB 4.09Å; L207-F255 HydrophobicContact CD2-CD1 4.08Å; L207-F255 HydrophobicContact CD2-CD2 3.63Å; L207-F255 HydrophobicContact CD2-CE1 4.46Å; L207-F255 HydrophobicContact CD2-CE2 4.04Å; L207-F255 HydrophobicContact CD2-CG 3.65Å; L207-F255 HydrophobicContact CD2-CZ 4.44Å; E208-F255 HydrophobicContact CB-CE1 3.8Å; E208-F255 HydrophobicContact CG-CE1 4.15Å; L211-F255 HydrophobicContact CD1-CB 4.4Å; L211-F255 HydrophobicContact CD1-CD1 4.08Å; Y236-F255 HydrophobicContact CE2-CB 4.33Å; Y236-F255 WeakPolarHBondContact OH-CB 3.4Å; T253-F255 PolarHBondContact O-N 2.88Å; F255-Y258 PolarHBondContact O-N 3.43Å; F255-V259 WeakPolarHBondContact O-CB 3.29Å; F255-V259 VanDerWaalsContact O-CG2 3.26Å; F255-V259 WeakPolarHBondContact O-CG2 3.19Å; F255-V259 PolarHBondContact O-N 2.99Å
256A76.2Confident75.3Confident1 Ų149.8 Ų49.81%0.00825%0.252CS..Hα-helixtrans-65.4-46.617300000110.7Y236 F237 V250 T253 Y258 V259 T260Y236-A256 PolarHBondContact OH-N 3.45Å; F237-A256 HydrophobicContact CE1-CB 4.05Å; V250-A256 VanDerWaalsContact O-CB 3.26Å; V250-A256 WeakPolarHBondContact O-CB 3.48Å; T253-A256 PolarHBondContact O-N 3.32Å; T253-A256 WeakPolarHBondContact OG1-CB 3.46Å; A256-Y258 PolarHBondContact O-N 3.18Å; A256-V259 PolarHBondContact O-N 3.12Å; A256-T260 WeakPolarHBondContact O-CG2 3.33Å; A256-T260 PolarHBondContact O-N 2.96Å; A256-T260 VanDerWaalsContact O-N 3.08Å; A256-T260 PolarHBondContact O-OG1 2.86Å
257C73.7Confident74.9Confident60 Ų6046.1 Ų46.141%0.40523%0.233SC..Hα-helixtrans-57.5-48.9172.3-67.60000111.4L251 T253 V259 T260 E261L251-C257 PolarHBondContact O-SG 3.38Å; L251-C257 VanDerWaalsContact O-SG 3.37Å; T253-C257 PolarHBondContact O-N 3.37Å; C257-V259 VanDerWaalsContact C-N 3.35Å; C257-V259 PolarHBondContact O-N 3.39Å; C257-T260 PolarHBondContact O-N 3.43Å; C257-T260 VanDerWaalsContact O-N 3.17Å; C257-T260 PolarHBondContact O-OG1 3.08Å; C257-E261 PolarHBondContact O-N 2.88Å
258Y76.7Confident74.3Confident41 Ų4143.2 Ų43.216%0.16122%0.222CC..Hα-helixtrans-55.9-45.4177.8175.4-99.4000112.9L211 K212 P254 F255 A256 E261 T262L211-Y258 HydrophobicContact CB-CE1 4.25Å; L211-Y258 HydrophobicContact CD1-CD1 4.41Å; K212-Y258 WeakPolarHBondContact CE-OH 3.41Å; K212-Y258 WeakPolarHBondContact CG-OH 3.41Å; P254-Y258 WeakPolarHBondContact O-CB 3.45Å; P254-Y258 PolarHBondContact O-N 3.44Å; P254-Y258 VanDerWaalsContact O-N 3.08Å; F255-Y258 PolarHBondContact O-N 3.43Å; A256-Y258 PolarHBondContact O-N 3.18Å; Y258-E261 PolarHBondContact O-N 3.26Å; Y258-T262 HydrophobicContact CD1-CG2 4.41Å; Y258-T262 HydrophobicContact CD2-CG2 4.11Å; Y258-T262 HydrophobicContact CE1-CG2 3.98Å; Y258-T262 HydrophobicContact CE2-CG2 3.65Å; Y258-T262 HydrophobicContact CG-CG2 4.47Å; Y258-T262 WeakPolarHBondContact O-CB 3.3Å; Y258-T262 WeakPolarHBondContact O-CG2 3.42Å; Y258-T262 PolarHBondContact O-N 3.07Å; Y258-T262 PolarHBondContact O-OG1 3.41Å
259V80Confident74.1Confident0 Ų037.5 Ų37.50%020%0.198CC..Hα-helixtrans-61-44.7177.6164.10000111.3L211 F215 L233 F237 F255 A256 C257 T262 A263 L285L211-V259 HydrophobicContact CD1-CG2 3.87Å; L211-V259 HydrophobicContact CD2-CG2 3.82Å; L211-V259 HydrophobicContact CG-CG2 4.39Å; F215-V259 HydrophobicContact CE2-CG1 4.46Å; F215-V259 HydrophobicContact CE2-CG2 4.3Å; F215-V259 HydrophobicContact CZ-CB 4.48Å; F215-V259 HydrophobicContact CZ-CG1 4.03Å; F215-V259 WeakPolarHBondContact CZ-O 3.45Å; L233-V259 HydrophobicContact CD2-CG1 3.47Å; L233-V259 VanDerWaalsContact CD2-CG1 3.47Å; L233-V259 HydrophobicContact CD2-CG2 4.29Å; F237-V259 HydrophobicContact CE2-CG1 4.05Å; F237-V259 HydrophobicContact CZ-CB 4.43Å; F237-V259 HydrophobicContact CZ-CG1 3.94Å; F255-V259 WeakPolarHBondContact O-CB 3.29Å; F255-V259 VanDerWaalsContact O-CG2 3.26Å; F255-V259 WeakPolarHBondContact O-CG2 3.19Å; F255-V259 PolarHBondContact O-N 2.99Å; A256-V259 PolarHBondContact O-N 3.12Å; C257-V259 VanDerWaalsContact C-N 3.35Å; C257-V259 PolarHBondContact O-N 3.39Å; V259-T262 WeakPolarHBondContact CA-OG1 3.33Å; V259-T262 PolarHBondContact O-OG1 3.02Å; V259-A263 WeakPolarHBondContact O-CB 3.31Å; V259-A263 PolarHBondContact O-N 3.49Å; V259-L285 HydrophobicContact CG1-CD2 4.14Å
260T78.6Confident73.7Confident10 Ų1035.2 Ų35.26%0.06119%0.191CC..Hα-helixtrans-66-44179.659.30000112A256 C257 A263 M264 L285 L289 W293A256-T260 WeakPolarHBondContact O-CG2 3.33Å; A256-T260 PolarHBondContact O-N 2.96Å; A256-T260 VanDerWaalsContact O-N 3.08Å; A256-T260 PolarHBondContact O-OG1 2.86Å; C257-T260 PolarHBondContact O-N 3.43Å; C257-T260 VanDerWaalsContact O-N 3.17Å; C257-T260 PolarHBondContact O-OG1 3.08Å; T260-A263 PolarHBondContact O-N 3.23Å; T260-M264 WeakPolarHBondContact O-CE 3.44Å; T260-M264 WeakPolarHBondContact O-CG 3.31Å; T260-M264 PolarHBondContact O-N 3Å; T260-M264 VanDerWaalsContact O-N 3.08Å; T260-L285 HydrophobicContact CG2-CD1 4.45Å; T260-L289 HydrophobicContact CG2-CD1 4.41Å; T260-W293 HydrophobicContact CG2-CZ2 3.55Å
261E75.6Confident73.5Confident80 Ų8041.8 Ų41.837%0.37422%0.216SC..Hα-helixtrans-65.4-42.1176.3-72.5-167160.400112.4C257 Y258 M264 T265C257-E261 PolarHBondContact O-N 2.88Å; Y258-E261 PolarHBondContact O-N 3.26Å; E261-M264 PolarHBondContact O-N 3.17Å; E261-T265 WeakPolarHBondContact O-CB 3.39Å; E261-T265 WeakPolarHBondContact O-CG2 3.37Å; E261-T265 PolarHBondContact O-N 2.79Å; E261-T265 PolarHBondContact O-OG1 2.88Å
262T75.9Confident73.6Confident23 Ų2341.5 Ų41.514%0.14122%0.217CC..Hα-helixtrans-67.6-36.7178.544.40000112.8F215 Y258 V259 T265 L266F215-T262 WeakPolarHBondContact CD2-OG1 3.37Å; F215-T262 WeakPolarHBondContact CE2-OG1 3.48Å; F215-T262 WeakPolarHBondContact CZ-OG1 3.42Å; Y258-T262 HydrophobicContact CD1-CG2 4.41Å; Y258-T262 HydrophobicContact CD2-CG2 4.11Å; Y258-T262 HydrophobicContact CE1-CG2 3.98Å; Y258-T262 HydrophobicContact CE2-CG2 3.65Å; Y258-T262 HydrophobicContact CG-CG2 4.47Å; Y258-T262 WeakPolarHBondContact O-CB 3.3Å; Y258-T262 WeakPolarHBondContact O-CG2 3.42Å; Y258-T262 PolarHBondContact O-N 3.07Å; Y258-T262 PolarHBondContact O-OG1 3.41Å; V259-T262 WeakPolarHBondContact CA-OG1 3.33Å; V259-T262 PolarHBondContact O-OG1 3.02Å; T262-T265 VanDerWaalsContact CA-OG1 3.26Å; T262-T265 WeakPolarHBondContact CA-OG1 3.46Å; T262-T265 PolarHBondContact O-OG1 3.43Å; T262-T265 VanDerWaalsContact O-OG1 3.04Å; T262-L266 WeakPolarHBondContact O-CG 3.39Å; T262-L266 PolarHBondContact O-N 3.45Å; T262-L266 VanDerWaalsContact O-N 3.14Å
263A80Confident73.6Confident0 Ų038.4 Ų38.40%020%0.202CC..Hα-helixtrans-63.3-43.8172.200000111.8F215 V259 T260 L266 A281 L285F215-A263 HydrophobicContact CE1-CB 3.95Å; F215-A263 HydrophobicContact CZ-CB 4.23Å; V259-A263 WeakPolarHBondContact O-CB 3.31Å; V259-A263 PolarHBondContact O-N 3.49Å; T260-A263 PolarHBondContact O-N 3.23Å; A263-L266 PolarHBondContact O-N 2.98Å; A263-A281 HydrophobicContact CB-CB 4.24Å; A263-L285 HydrophobicContact CB-CD1 3.95Å
264M76.9Confident73.8Confident11 Ų1137.5 Ų37.55%0.05420%0.196CC..Hα-helixtrans-67.8-40.3178.1-72.7-171.8-7600112.7T260 E261 L266 C267 L282 R300 I301 C304T260-M264 WeakPolarHBondContact O-CE 3.44Å; T260-M264 WeakPolarHBondContact O-CG 3.31Å; T260-M264 PolarHBondContact O-N 3Å; T260-M264 VanDerWaalsContact O-N 3.08Å; E261-M264 PolarHBondContact O-N 3.17Å; M264-L266 VanDerWaalsContact C-N 3.3Å; M264-L266 PolarHBondContact O-N 2.9Å; M264-C267 VanDerWaalsContact O-CB 3.29Å; M264-C267 WeakPolarHBondContact O-CB 3.14Å; M264-C267 PolarHBondContact O-N 2.89Å; M264-L282 HydrophobicContact CG-CD2 4.24Å; M264-R300 HydrophobicContact SD-CB 3.82Å; M264-I301 HydrophobicContact SD-CG1 4.14Å; M264-C304 PolarHBondContact O-SG 3.44Å
265T74.2Confident74.3Confident54 Ų5432.8 Ų32.833%0.33117%0.166SC..Hα-helixtrans-68.9-25.1177.649.20000113.2E261 T262 C267 L268 P2301E261-T265 WeakPolarHBondContact O-CB 3.39Å; E261-T265 WeakPolarHBondContact O-CG2 3.37Å; E261-T265 PolarHBondContact O-N 2.79Å; E261-T265 PolarHBondContact O-OG1 2.88Å; T262-T265 VanDerWaalsContact CA-OG1 3.26Å; T262-T265 WeakPolarHBondContact CA-OG1 3.46Å; T262-T265 PolarHBondContact O-OG1 3.43Å; T262-T265 VanDerWaalsContact O-OG1 3.04Å; T265-C267 VanDerWaalsContact C-N 3.32Å; T265-C267 PolarHBondContact O-N 2.9Å; T265-L268 WeakPolarHBondContact O-CB 3.3Å; T265-L268 PolarHBondContact O-N 3.4Å; T265-L268 VanDerWaalsContact O-N 3.17Å; T265-P2301 HydrophobicContact CG2-CB 3.97Å; T265-P2301 HydrophobicContact CG2-CG 3.89Å
266L74.7Confident74.6Confident15 Ų1532 Ų328%0.07916%0.163CC..Hα-helixtrans-64.8-33.1172.1-85.6160.5000113F215 K219 T262 A263 M264 L268 S269 A274F215-L266 HydrophobicContact CB-CD1 3.99Å; F215-L266 HydrophobicContact CD1-CD1 3.26Å; F215-L266 HydrophobicContact CE1-CD1 4.02Å; F215-L266 HydrophobicContact CG-CD1 3.97Å; K219-L266 HydrophobicContact CB-CD2 3.93Å; K219-L266 HydrophobicContact CD-CD2 4.24Å; K219-L266 HydrophobicContact CG-CD2 4.03Å; T262-L266 WeakPolarHBondContact O-CG 3.39Å; T262-L266 PolarHBondContact O-N 3.45Å; T262-L266 VanDerWaalsContact O-N 3.14Å; A263-L266 PolarHBondContact O-N 2.98Å; M264-L266 VanDerWaalsContact C-N 3.3Å; M264-L266 PolarHBondContact O-N 2.9Å; L266-L268 PolarHBondContact O-N 3.2Å; L266-L268 VanDerWaalsContact O-N 3.17Å; L266-S269 WeakPolarHBondContact O-CB 3.22Å; L266-S269 PolarHBondContact O-N 3.1Å; L266-S269 PolarHBondContact O-OG 3.35Å; L266-A274 HydrophobicContact CD2-CB 4.26Å
267C71.8Confident74.7Confident2 Ų231.9 Ų31.91%0.01416%0.163CC..Hα-helixtrans-57.4-29.8173.8-58.10000112M264 T265 S269 K275 S278 C304 V308M264-C267 VanDerWaalsContact O-CB 3.29Å; M264-C267 WeakPolarHBondContact O-CB 3.14Å; M264-C267 PolarHBondContact O-N 2.89Å; T265-C267 VanDerWaalsContact C-N 3.32Å; T265-C267 PolarHBondContact O-N 2.9Å; C267-S269 VanDerWaalsContact C-N 3.33Å; C267-K275 WeakPolarHBondContact O-CE 3.5Å; C267-K275 WeakPolarHBondContact O-CG 3.37Å; C267-S278 WeakPolarHBondContact CA-OG 3.09Å; C267-S278 WeakPolarHBondContact SG-CB 3.41Å; C267-S278 PolarHBondContact SG-OG 3Å; C267-C304 HydrophobicContact CB-CB 3.78Å; C267-V308 HydrophobicContact CB-CG2 4.23Å
268L68.1Low75.1Confident8 Ų829 Ų294%0.04214%0.143CC..THydrogen-bonded Turntrans-83.1-11.3-177.6-55.7175.7000111.9T265 L266 P2301 I2303 P2342T265-L268 WeakPolarHBondContact O-CB 3.3Å; T265-L268 PolarHBondContact O-N 3.4Å; T265-L268 VanDerWaalsContact O-N 3.17Å; L266-L268 PolarHBondContact O-N 3.2Å; L266-L268 VanDerWaalsContact O-N 3.17Å; L268-P2301 HydrophobicContact CD1-CB 3.86Å; L268-I2303 HydrophobicContact CD1-CB 4.33Å; L268-I2303 HydrophobicContact CD1-CG2 3.97Å; L268-I2303 HydrophobicContact CD2-CB 4.48Å; L268-I2303 HydrophobicContact CD2-CD1 3.69Å; L268-P2342 HydrophobicContact CB-CB 3.79Å; L268-P2342 HydrophobicContact CB-CG 3.47Å; L268-P2342 VanDerWaalsContact CB-CG 3.47Å; L268-P2342 HydrophobicContact CD1-CB 4.34Å; L268-P2342 HydrophobicContact CD2-CB 4.28Å; L268-P2342 HydrophobicContact CG-CB 4.37Å; L268-P2342 WeakPolarHBondContact O-CG 3.38Å
269S67.8Low75.4Confident19 Ų1927.2 Ų27.213%0.13314%0.137CC..SBendtrans-68.1145.9-17872.30000112.8L266 C267 R271 A274 K275L266-S269 WeakPolarHBondContact O-CB 3.22Å; L266-S269 PolarHBondContact O-N 3.1Å; L266-S269 PolarHBondContact O-OG 3.35Å; C267-S269 VanDerWaalsContact C-N 3.33Å; S269-R271 PolarHBondContact O-N 3.38Å; S269-R271 VanDerWaalsContact O-N 3.12Å; S269-A274 WeakPolarHBondContact OG-CB 3.37Å; S269-K275 WeakPolarHBondContact O-CE 3.49Å
270N65.7Low75.7Confident68 Ų6830.1 Ų30.136%0.36415%0.149SC..SBendtrans-69.6-4.6-178.7-100.612000115R2339 L2341N270-R2339 WeakPolarHBondContact OD1-CD 3.34Å; N270-R2339 PolarHBondContact OD1-NH1 2.91Å; N270-L2341 WeakPolarHBondContact ND2-CD2 3.43Å
271R70.9Confident76Confident138 Ų13829.8 Ų29.852%0.52115%0.147SC..  trans-97.4127.6-177.4-71.8-165.7-176.2171.70.1109.8S269 E273 A274 K275S269-R271 PolarHBondContact O-N 3.38Å; S269-R271 VanDerWaalsContact O-N 3.12Å; R271-E273 PolarHBondContact O-N 3.05Å; R271-A274 HydrophobicContact CB-CB 4.13Å; R271-A274 WeakPolarHBondContact O-CB 3.38Å; R271-A274 PolarHBondContact O-N 2.95Å; R271-K275 PolarHBondContact O-N 3.45Å
272P72.8Confident76.5Confident34 Ų3426 Ų2622%0.22113%0.13CC..Hα-helixtrans-62.5-33.9-179.125.5-32.9000111.7A274 K275 V276P272-A274 VanDerWaalsContact C-N 3.31Å; P272-A274 PolarHBondContact O-N 3.44Å; P272-K275 PolarHBondContact O-N 3.17Å; P272-V276 WeakPolarHBondContact O-CG2 3.43Å; P272-V276 PolarHBondContact O-N 3.38Å; P272-V276 VanDerWaalsContact O-N 3.09Å
273E73Confident77.1Confident93 Ų9325.8 Ų25.844%0.43513%0.128SC..Hα-helixtrans-63-40.1179-5491.1176.700111.9Y226 R271 K275 V276 G277Y226-E273 PolarHBondContact OH-O 3.49Å; Y226-E273 VanDerWaalsContact OH-O 3.1Å; R271-E273 PolarHBondContact O-N 3.05Å; E273-K275 VanDerWaalsContact C-N 3.32Å; E273-K275 PolarHBondContact O-N 3.38Å; E273-V276 PolarHBondContact O-N 3.44Å; E273-G277 PolarHBondContact O-N 3.31Å
274A75.3Confident77.2Confident0 Ų026.4 Ų26.40%013%0.132CC..Hα-helixtrans-68.1-32179.200000112.8K219 L266 S269 R271 P272 G277 S278K219-A274 HydrophobicContact CB-CB 4.16Å; K219-A274 HydrophobicContact CG-CB 3.66Å; L266-A274 HydrophobicContact CD2-CB 4.26Å; S269-A274 WeakPolarHBondContact OG-CB 3.37Å; R271-A274 HydrophobicContact CB-CB 4.13Å; R271-A274 WeakPolarHBondContact O-CB 3.38Å; R271-A274 PolarHBondContact O-N 2.95Å; P272-A274 VanDerWaalsContact C-N 3.31Å; P272-A274 PolarHBondContact O-N 3.44Å; A274-G277 PolarHBondContact O-N 2.93Å; A274-S278 WeakPolarHBondContact O-CB 3.39Å; A274-S278 PolarHBondContact O-N 2.95Å
275K78.5Confident77.7Confident1 Ų126.1 Ų26.10%0.00413%0.131CC..Hα-helixtrans-68.9-41172.4-63.9-175.1175.5-167.40111.9C267 S269 R271 P272 E273 S278 C279 V308 E311 A320C267-K275 WeakPolarHBondContact O-CE 3.5Å; C267-K275 WeakPolarHBondContact O-CG 3.37Å; S269-K275 WeakPolarHBondContact O-CE 3.49Å; R271-K275 PolarHBondContact O-N 3.45Å; P272-K275 PolarHBondContact O-N 3.17Å; E273-K275 VanDerWaalsContact C-N 3.32Å; E273-K275 PolarHBondContact O-N 3.38Å; K275-S278 WeakPolarHBondContact CA-OG 3.43Å; K275-S278 PolarHBondContact O-N 3.09Å; K275-S278 PolarHBondContact O-OG 3.36Å; K275-C279 PolarHBondContact O-N 3.25Å; K275-C279 PolarHBondContact O-SG 3.32Å; K275-V308 HydrophobicContact CB-CG1 4.41Å; K275-V308 HydrophobicContact CB-CG2 4.24Å; K275-V308 HydrophobicContact CD-CB 4.46Å; K275-V308 HydrophobicContact CD-CG1 4.24Å; K275-V308 HydrophobicContact CD-CG2 4.1Å; K275-V308 HydrophobicContact CG-CG2 4.35Å; K275-E311 WeakPolarHBondContact CE-OE1 3.26Å; K275-E311 WeakPolarHBondContact CE-OE2 3.48Å; K275-E311 IonicContact NZ-OE1 2.75Å; K275-E311 PolarHBondContact NZ-OE1 3.4Å; K275-E311 IonicContact NZ-OE2 3.63Å; K275-E311 PolarHBondContact NZ-OE2 3.29Å; K275-A320 HydrophobicContact CB-CB 4.48Å
276V80.2Confident78.2Confident13 Ų1323.9 Ų23.98%0.07912%0.117CC..Hα-helixtrans-61.1-47.8172.6176.80000110.1Y226 P272 E273 S278 C279 F280 I319 A320Y226-V276 HydrophobicContact CE2-CG1 4.29Å; P272-V276 WeakPolarHBondContact O-CG2 3.43Å; P272-V276 PolarHBondContact O-N 3.38Å; P272-V276 VanDerWaalsContact O-N 3.09Å; E273-V276 PolarHBondContact O-N 3.44Å; V276-S278 VanDerWaalsContact C-N 3.26Å; V276-S278 PolarHBondContact O-N 3.23Å; V276-C279 PolarHBondContact O-N 3.31Å; V276-C279 VanDerWaalsContact O-N 3.1Å; V276-F280 HydrophobicContact CG1-CD2 3.83Å; V276-F280 HydrophobicContact CG1-CE2 3.72Å; V276-F280 WeakPolarHBondContact O-CD2 3.01Å; V276-F280 PolarHBondContact O-N 3.29Å; V276-F280 VanDerWaalsContact O-N 3.07Å; V276-I319 HydrophobicContact CG2-CG2 4.39Å; V276-A320 HydrophobicContact CG2-CB 3.83Å
277G79.1Confident78.7Confident0 Ų029 Ų290%014%0.14CC..Hα-helixtrans-56.5-38.317500000113E273 A274 F280 A281E273-G277 PolarHBondContact O-N 3.31Å; A274-G277 PolarHBondContact O-N 2.93Å; G277-F280 PolarHBondContact O-N 3.01Å; G277-A281 WeakPolarHBondContact O-CB 3.43Å; G277-A281 PolarHBondContact O-N 3.5Å
278S80.5Confident79.3Confident0 Ų030.4 Ų30.40%015%0.149CC..Hα-helixtrans-66.9-40.1174.878.20000113.4C267 A274 K275 V276 F280 A281 L282C267-S278 WeakPolarHBondContact CA-OG 3.09Å; C267-S278 WeakPolarHBondContact SG-CB 3.41Å; C267-S278 PolarHBondContact SG-OG 3Å; A274-S278 WeakPolarHBondContact O-CB 3.39Å; A274-S278 PolarHBondContact O-N 2.95Å; K275-S278 WeakPolarHBondContact CA-OG 3.43Å; K275-S278 PolarHBondContact O-N 3.09Å; K275-S278 PolarHBondContact O-OG 3.36Å; V276-S278 VanDerWaalsContact C-N 3.26Å; V276-S278 PolarHBondContact O-N 3.23Å; S278-F280 VanDerWaalsContact C-N 3.32Å; S278-F280 PolarHBondContact O-N 2.88Å; S278-A281 PolarHBondContact O-N 3.46Å; S278-L282 WeakPolarHBondContact O-CB 3.44Å; S278-L282 WeakPolarHBondContact O-CG 3.44Å; S278-L282 PolarHBondContact O-N 2.96Å
279C83.8Confident79.9Confident3 Ų330.1 Ų30.12%0.0215%0.148CC..Hα-helixtrans-65.3-39.3177.9-63.50000110.7K275 V276 N283 H323 T327K275-C279 PolarHBondContact O-N 3.25Å; K275-C279 PolarHBondContact O-SG 3.32Å; V276-C279 PolarHBondContact O-N 3.31Å; V276-C279 VanDerWaalsContact O-N 3.1Å; C279-N283 WeakPolarHBondContact O-CB 3.27Å; C279-N283 PolarHBondContact O-N 2.92Å; C279-H323 HydrophobicContact CB-CB 4.02Å; C279-T327 HydrophobicContact CB-CG2 4.2Å; C279-T327 WeakPolarHBondContact O-CG2 3.28Å
280F85.3Confident80.5Confident61 Ų6130.9 Ų30.927%0.26815%0.152SC..Hα-helixtrans-65.8-42.9173.4-84.2-71000112.7Y226 L230 V276 G277 S278 N283 S284 H323Y226-F280 HydrophobicContact CD2-CD2 4.02Å; Y226-F280 HydrophobicContact CD2-CE2 4.41Å; Y226-F280 HydrophobicContact CE2-CD2 4.36Å; L230-F280 HydrophobicContact CD1-CB 3.96Å; L230-F280 HydrophobicContact CD1-CD1 4.48Å; V276-F280 HydrophobicContact CG1-CD2 3.83Å; V276-F280 HydrophobicContact CG1-CE2 3.72Å; V276-F280 WeakPolarHBondContact O-CD2 3.01Å; V276-F280 PolarHBondContact O-N 3.29Å; V276-F280 VanDerWaalsContact O-N 3.07Å; G277-F280 PolarHBondContact O-N 3.01Å; S278-F280 VanDerWaalsContact C-N 3.32Å; S278-F280 PolarHBondContact O-N 2.88Å; F280-N283 PolarHBondContact O-N 3.36Å; F280-S284 PolarHBondContact O-N 2.98Å; F280-H323 AromaticContact CE2-CE1 3.79Å; F280-H323 AromaticContact CZ-CE1 3.44Å; F280-H323 VanDerWaalsContact CZ-CE1 3.44Å; F280-H323 WeakPolarHBondContact CZ-CE1 3.36Å; F280-H323 AromaticContact CZ-ND1 3.94Å
281A85.1Confident81.2Confident2 Ų228.9 Ų28.92%0.01714%0.142CC..Hα-helixtrans-61.4-46.1175.700000111.6L218 L230 A263 G277 S278 S284 L285L218-A281 HydrophobicContact CD1-CB 4.15Å; L230-A281 HydrophobicContact CD2-CB 4.37Å; A263-A281 HydrophobicContact CB-CB 4.24Å; G277-A281 WeakPolarHBondContact O-CB 3.43Å; G277-A281 PolarHBondContact O-N 3.5Å; S278-A281 PolarHBondContact O-N 3.46Å; A281-S284 WeakPolarHBondContact O-CB 3.13Å; A281-S284 PolarHBondContact O-N 3.05Å; A281-L285 WeakPolarHBondContact O-CG 3.27Å; A281-L285 PolarHBondContact O-N 3.43Å
282L87.3Confident81.5Confident2 Ų227.1 Ų27.11%0.0114%0.143CC..Hα-helixtrans-62.6-42.2176.4-77.8170.8000112.2M264 S278 S284 L285 L286 I301 T327M264-L282 HydrophobicContact CG-CD2 4.24Å; S278-L282 WeakPolarHBondContact O-CB 3.44Å; S278-L282 WeakPolarHBondContact O-CG 3.44Å; S278-L282 PolarHBondContact O-N 2.96Å; L282-S284 VanDerWaalsContact C-N 3.33Å; L282-S284 PolarHBondContact O-N 3.41Å; L282-L285 PolarHBondContact O-N 2.67Å; L282-L286 WeakPolarHBondContact O-CB 3.42Å; L282-L286 VanDerWaalsContact O-CG 3.3Å; L282-L286 WeakPolarHBondContact O-CG 3.19Å; L282-L286 PolarHBondContact O-N 3.04Å; L282-I301 HydrophobicContact CD1-CG2 4.46Å; L282-I301 HydrophobicContact CD2-CG1 4.48Å; L282-T327 HydrophobicContact CB-CG2 4.16Å
283N87.2Confident82Confident17 Ų1726.2 Ų26.29%0.09114%0.135CC..Hα-helixtrans-61.8-40.7173.2-91.2-24.7000112C279 F280 L286 E287 T327 N330C279-N283 WeakPolarHBondContact O-CB 3.27Å; C279-N283 PolarHBondContact O-N 2.92Å; F280-N283 PolarHBondContact O-N 3.36Å; N283-L286 CarbonylContact O-C 3.57Å; N283-L286 PolarHBondContact O-N 3.06Å; N283-E287 WeakPolarHBondContact O-CG 3.37Å; N283-E287 PolarHBondContact O-N 2.98Å; N283-T327 HydrophobicContact CB-CG2 4.21Å; N283-T327 WeakPolarHBondContact OD1-CA 2.97Å; N283-T327 WeakPolarHBondContact OD1-CG2 3.46Å; N283-N330 PolarHBondContact OD1-ND2 3.23Å
284S83.4Confident82.3Confident14 Ų1421.9 Ų21.910%0.09812%0.115CC..Hα-helixtrans-64.6-39.8176.2-119.60000112.8K234 F280 A281 L282 E287 T288K234-S284 WeakPolarHBondContact CE-OG 3.44Å; F280-S284 PolarHBondContact O-N 2.98Å; A281-S284 WeakPolarHBondContact O-CB 3.13Å; A281-S284 PolarHBondContact O-N 3.05Å; L282-S284 VanDerWaalsContact C-N 3.33Å; L282-S284 PolarHBondContact O-N 3.41Å; S284-E287 PolarHBondContact O-N 2.97Å; S284-T288 PolarHBondContact O-N 2.94Å; S284-T288 VanDerWaalsContact O-N 3.1Å; S284-T288 PolarHBondContact O-OG1 3.41Å
285L86.1Confident82.4Confident5 Ų523.2 Ų23.23%0.02612%0.122CC..Hα-helixtrans-65.6-44.5173.3-71.1169.7000110.8F237 V259 T260 A263 A281 L282 E287 T288 L289 W293F237-L285 HydrophobicContact CD2-CD2 4.32Å; F237-L285 HydrophobicContact CE2-CD2 3.37Å; F237-L285 HydrophobicContact CZ-CD2 3.64Å; V259-L285 HydrophobicContact CG1-CD2 4.14Å; T260-L285 HydrophobicContact CG2-CD1 4.45Å; A263-L285 HydrophobicContact CB-CD1 3.95Å; A281-L285 WeakPolarHBondContact O-CG 3.27Å; A281-L285 PolarHBondContact O-N 3.43Å; L282-L285 PolarHBondContact O-N 2.67Å; L285-E287 PolarHBondContact O-N 3.11Å; L285-T288 PolarHBondContact O-N 2.95Å; L285-T288 PolarHBondContact O-OG1 3.41Å; L285-L289 HydrophobicContact CB-CD1 4.22Å; L285-L289 HydrophobicContact CD2-CD1 3.91Å; L285-L289 WeakPolarHBondContact O-CB 3.5Å; L285-L289 PolarHBondContact O-N 3.1Å; L285-W293 HydrophobicContact CB-CH2 4.23Å
286L84.8Confident82.5Confident7 Ų731.3 Ų31.34%0.03716%0.157CC..Hα-helixtrans-63.4-24.5174-76.3167.7000112.5L282 N283 W293 A294 L331 K334L282-L286 WeakPolarHBondContact O-CB 3.42Å; L282-L286 VanDerWaalsContact O-CG 3.3Å; L282-L286 WeakPolarHBondContact O-CG 3.19Å; L282-L286 PolarHBondContact O-N 3.04Å; N283-L286 CarbonylContact O-C 3.57Å; N283-L286 PolarHBondContact O-N 3.06Å; L286-W293 HydrophobicContact CD2-CZ3 4.25Å; L286-A294 HydrophobicContact CD2-CB 4.14Å; L286-L331 HydrophobicContact CD1-CB 3.95Å; L286-L331 HydrophobicContact CD1-CD1 4.24Å; L286-L331 HydrophobicContact CD2-CB 4.47Å; L286-L331 HydrophobicContact CD2-CD1 4.16Å; L286-L331 HydrophobicContact CD2-CG 4.44Å; L286-K334 WeakPolarHBondContact O-CD 3.4Å; L286-K334 WeakPolarHBondContact O-CE 3.43Å; L286-K334 PolarHBondContact O-NZ 3.2Å
287E86.2Confident82.5Confident122 Ų12231.9 Ų31.957%0.5716%0.16SC*.Hα-helixtrans-78.6-40.8173-78.6174.5-176.200112K234 N283 S284 L285 K334K234-E287 IonicContact NZ-OE2 2.89Å; K234-E287 PolarHBondContact NZ-OE2 3.41Å; N283-E287 WeakPolarHBondContact O-CG 3.37Å; N283-E287 PolarHBondContact O-N 2.98Å; S284-E287 PolarHBondContact O-N 2.97Å; L285-E287 PolarHBondContact O-N 3.11Å; E287-K334 PolarHBondContact O-NZ 3.47Å
288T83.9Confident82.7Confident32 Ų3232.2 Ų32.220%0.19616%0.162CC..Hα-helixtrans-88.1-38.8-170.945.40000114.6K234 S284 L285K234-T288 HydrophobicContact CB-CG2 4.36Å; K234-T288 HydrophobicContact CD-CG2 4.08Å; K234-T288 HydrophobicContact CG-CG2 3.81Å; S284-T288 PolarHBondContact O-N 2.94Å; S284-T288 VanDerWaalsContact O-N 3.1Å; S284-T288 PolarHBondContact O-OG1 3.41Å; L285-T288 PolarHBondContact O-N 2.95Å; L285-T288 PolarHBondContact O-OG1 3.41Å
289L81.6Confident82.7Confident2 Ų236.5 Ų36.51%0.0118%0.182CC..SBendtrans-83.1155.1-175.2-67.4174.4000112.7F237 W247 L251 T260 L285 W293 K334F237-L289 HydrophobicContact CD1-CD2 3.98Å; F237-L289 HydrophobicContact CE1-CD2 3.96Å; W247-L289 HydrophobicContact CE3-CD2 4.32Å; W247-L289 HydrophobicContact CZ3-CD2 4.04Å; L251-L289 HydrophobicContact CD2-CD2 4.06Å; T260-L289 HydrophobicContact CG2-CD1 4.41Å; L285-L289 HydrophobicContact CB-CD1 4.22Å; L285-L289 HydrophobicContact CD2-CD1 3.91Å; L285-L289 WeakPolarHBondContact O-CB 3.5Å; L285-L289 PolarHBondContact O-N 3.1Å; L289-W293 HydrophobicContact CB-CD2 4.36Å; L289-W293 HydrophobicContact CB-CE3 4.1Å; L289-W293 HydrophobicContact CD1-CD2 3.63Å; L289-W293 HydrophobicContact CD1-CE3 3.85Å; L289-W293 HydrophobicContact CD1-CG 4.1Å; L289-W293 HydrophobicContact CD1-CH2 4.31Å; L289-W293 HydrophobicContact CD1-CZ2 4.11Å; L289-W293 HydrophobicContact CD1-CZ3 4.18Å; L289-K334 WeakPolarHBondContact O-CE 3.49Å; L289-K334 PolarHBondContact O-NZ 3.08Å
290P80.4Confident82.3Confident34 Ų3440.8 Ų40.822%0.22120%0.198CC..  trans-68.2162.6175.726.6-33.5000113.3W247 L251 W293W247-P290 HydrophobicContact CB-CG 4.06Å; W247-P290 HydrophobicContact CD2-CG 4.4Å; W247-P290 HydrophobicContact CG-CG 4.12Å; L251-P290 HydrophobicContact CD1-CG 4.41Å; P290-W293 PolarHBondContact O-N 3.26Å
291T78.8Confident82.2Confident27 Ų2738 Ų3817%0.16619%0.185CC..Hα-helixtrans-62.7-37.6-17829.70000113.5W293 A294 L295 K334 E338T291-W293 VanDerWaalsContact C-N 3.26Å; T291-W293 PolarHBondContact O-N 3Å; T291-A294 WeakPolarHBondContact O-CB 3.42Å; T291-A294 PolarHBondContact O-N 2.92Å; T291-L295 PolarHBondContact O-N 2.96Å; T291-L295 VanDerWaalsContact O-N 3.16Å; T291-K334 HydrophobicContact CG2-CG 3.76Å; T291-E338 WeakPolarHBondContact CB-OE1 3.44Å; T291-E338 WeakPolarHBondContact CB-OE2 3.35Å; T291-E338 PolarHBondContact OG1-OE1 3.01Å; T291-E338 PolarHBondContact OG1-OE2 3.1Å
292D77.4Confident82Confident100 Ų10038.2 Ų38.254%0.53519%0.186SC..Hα-helixtrans-55.6-37.7177.8-70.4-35.6000113.4A294 L295 K296D292-A294 VanDerWaalsContact C-N 3.34Å; D292-L295 PolarHBondContact O-N 2.96Å; D292-K296 PolarHBondContact O-N 3.26Å; D292-K296 VanDerWaalsContact O-N 3.13Å
293W83.7Confident81.6Confident16 Ų1638.9 Ų38.96%0.06119%0.191CC..Hα-helixtrans-66.4-37.6177.1171.185.4000112.1L251 T260 L285 L286 L289 P290 T291 L295 N297 I301L251-W293 HydrophobicContact CD1-CB 4.15Å; L251-W293 HydrophobicContact CD2-CB 4.44Å; L251-W293 HydrophobicContact CD2-CG 4.15Å; T260-W293 HydrophobicContact CG2-CZ2 3.55Å; L285-W293 HydrophobicContact CB-CH2 4.23Å; L286-W293 HydrophobicContact CD2-CZ3 4.25Å; L289-W293 HydrophobicContact CB-CD2 4.36Å; L289-W293 HydrophobicContact CB-CE3 4.1Å; L289-W293 HydrophobicContact CD1-CD2 3.63Å; L289-W293 HydrophobicContact CD1-CE3 3.85Å; L289-W293 HydrophobicContact CD1-CG 4.1Å; L289-W293 HydrophobicContact CD1-CH2 4.31Å; L289-W293 HydrophobicContact CD1-CZ2 4.11Å; L289-W293 HydrophobicContact CD1-CZ3 4.18Å; P290-W293 PolarHBondContact O-N 3.26Å; T291-W293 VanDerWaalsContact C-N 3.26Å; T291-W293 PolarHBondContact O-N 3Å; W293-L295 VanDerWaalsContact C-N 3.35Å; W293-N297 PolarHBondContact NE1-ND2 3.22Å; W293-N297 PolarHBondContact O-N 3.3Å; W293-N297 PolarHBondContact O-ND2 2.67Å; W293-N297 VanDerWaalsContact O-ND2 3.11Å; W293-I301 HydrophobicContact CH2-CD1 3.99Å; W293-I301 HydrophobicContact CZ3-CD1 4.23Å
294A80Confident81.2Confident1 Ų138.2 Ų38.21%0.00819%0.187CC..Hα-helixtrans-69.3-34.1179.200000111.6L286 T291 D292 L298 I335L286-A294 HydrophobicContact CD2-CB 4.14Å; T291-A294 WeakPolarHBondContact O-CB 3.42Å; T291-A294 PolarHBondContact O-N 2.92Å; D292-A294 VanDerWaalsContact C-N 3.34Å; A294-L298 PolarHBondContact O-N 3.3Å; A294-L298 VanDerWaalsContact O-N 3.13Å; A294-I335 HydrophobicContact CB-CG1 4.49Å
295L76.8Confident81Confident28 Ų2837.9 Ų37.915%0.14719%0.185CC..Hα-helixtrans-66.4-49173.1-82.9162.5000111.8T291 D292 W293 N297 L298 I335 L339T291-L295 PolarHBondContact O-N 2.96Å; T291-L295 VanDerWaalsContact O-N 3.16Å; D292-L295 PolarHBondContact O-N 2.96Å; W293-L295 VanDerWaalsContact C-N 3.35Å; L295-N297 PolarHBondContact O-N 2.75Å; L295-L298 WeakPolarHBondContact O-CB 3.47Å; L295-L298 PolarHBondContact O-N 2.65Å; L295-I335 HydrophobicContact CD2-CG2 4.16Å; L295-L339 HydrophobicContact CD2-CD1 4.25Å
296K80.5Confident80.7Confident172 Ų17237.7 Ų37.775%0.74818%0.184SC*.Hα-helixtrans-59.1-32.2177.9-86.8-177.2177.5172.30113.8D292D292-K296 PolarHBondContact O-N 3.26Å; D292-K296 VanDerWaalsContact O-N 3.13Å
297N81.2Confident80.2Confident25 Ų2537.8 Ų37.813%0.13418%0.184CC..THydrogen-bonded Turntrans-103.810.3-177.3-67.7-66.5000114.2W293 L295 E299 R300 I301W293-N297 PolarHBondContact NE1-ND2 3.22Å; W293-N297 PolarHBondContact O-N 3.3Å; W293-N297 PolarHBondContact O-ND2 2.67Å; W293-N297 VanDerWaalsContact O-ND2 3.11Å; L295-N297 PolarHBondContact O-N 2.75Å; N297-E299 VanDerWaalsContact C-N 3.33Å; N297-E299 PolarHBondContact O-N 3.12Å; N297-R300 PolarHBondContact O-N 3.46Å; N297-I301 HydrophobicContact CB-CD1 4.04Å; N297-I301 HydrophobicContact CB-CG1 4.3Å; N297-I301 WeakPolarHBondContact O-CG1 3.28Å; N297-I301 PolarHBondContact O-N 3.32Å
298L82.5Confident79.7Confident7 Ų732.1 Ų32.14%0.03716%0.158CC..Hα-helixtrans-52.9-48.5-173-166.284.3000112.8A294 L295 I301 F302 L331 I335 V349 V352A294-L298 PolarHBondContact O-N 3.3Å; A294-L298 VanDerWaalsContact O-N 3.13Å; L295-L298 WeakPolarHBondContact O-CB 3.47Å; L295-L298 PolarHBondContact O-N 2.65Å; L298-I301 PolarHBondContact O-N 3.49Å; L298-F302 WeakPolarHBondContact O-CB 3.35Å; L298-F302 PolarHBondContact O-N 3.38Å; L298-L331 HydrophobicContact CD1-CD2 3.9Å; L298-I335 HydrophobicContact CD1-CD1 3.11Å; L298-I335 HydrophobicContact CD1-CG1 4.27Å; L298-V349 HydrophobicContact CD2-CG2 4.18Å; L298-V352 HydrophobicContact CB-CG2 4.25Å; L298-V352 HydrophobicContact CD2-CB 3.92Å; L298-V352 HydrophobicContact CD2-CG1 4.44Å; L298-V352 HydrophobicContact CD2-CG2 3.48Å; L298-V352 VanDerWaalsContact CD2-CG2 3.48Å; L298-V352 HydrophobicContact CG-CG2 3.74Å
299E79.9Confident79.3Confident90 Ų9030.9 Ų30.942%0.42115%0.15SC..Hα-helixtrans-64.4-41.9-177.7-169.6174.5164.900113N297 S303 S351 V352 L355N297-E299 VanDerWaalsContact C-N 3.33Å; N297-E299 PolarHBondContact O-N 3.12Å; E299-S303 WeakPolarHBondContact O-CB 3.44Å; E299-S303 PolarHBondContact O-N 2.94Å; E299-S303 PolarHBondContact O-OG 3.22Å; E299-S351 WeakPolarHBondContact OE2-CB 3.48Å; E299-S351 PolarHBondContact OE2-OG 2.98Å; E299-V352 HydrophobicContact CB-CG2 4.12Å; E299-L355 HydrophobicContact CG-CD1 3.45Å; E299-L355 VanDerWaalsContact CG-CD1 3.45Å; E299-L355 WeakPolarHBondContact OE1-CD1 3.28Å
300R76.7Confident78.8Confident93 Ų9331 Ų3135%0.35115%0.151SC..Hα-helixtrans-67.3-46.6177.9-83177.9155.4166.6-10.5111.4M264 N297 F302 S303 C304 D2304M264-R300 HydrophobicContact SD-CB 3.82Å; N297-R300 PolarHBondContact O-N 3.46Å; R300-F302 VanDerWaalsContact C-N 3.34Å; R300-F302 PolarHBondContact O-N 3.19Å; R300-S303 PolarHBondContact O-N 3.39Å; R300-C304 PolarHBondContact O-N 3.32Å; R300-C304 PolarHBondContact O-SG 2.94Å; R300-D2304 IonicContact CZ-OD1 3.13Å; R300-D2304 IonicContact CZ-OD2 3.19Å; R300-D2304 IonicContact NE-OD1 2.62Å; R300-D2304 PolarHBondContact NE-OD1 2.89Å; R300-D2304 VanDerWaalsContact NE-OD1 3.14Å; R300-D2304 IonicContact NE-OD2 2.82Å; R300-D2304 VanDerWaalsContact NH2-CG 3.32Å; R300-D2304 IonicContact NH2-OD1 3.92Å; R300-D2304 PolarHBondContact NH2-OD1 3.27Å; R300-D2304 IonicContact NH2-OD2 3.9Å; R300-D2304 PolarHBondContact NH2-OD2 2.76Å
301I81.9Confident77.9Confident2 Ų230.4 Ų30.41%0.0115%0.145CC..Hα-helixtrans-64.7-41.2179.9-59.7167.1000110.4M264 L282 W293 N297 L298 S303 C304 I305 L331M264-I301 HydrophobicContact SD-CG1 4.14Å; L282-I301 HydrophobicContact CD1-CG2 4.46Å; L282-I301 HydrophobicContact CD2-CG1 4.48Å; W293-I301 HydrophobicContact CH2-CD1 3.99Å; W293-I301 HydrophobicContact CZ3-CD1 4.23Å; N297-I301 HydrophobicContact CB-CD1 4.04Å; N297-I301 HydrophobicContact CB-CG1 4.3Å; N297-I301 WeakPolarHBondContact O-CG1 3.28Å; N297-I301 PolarHBondContact O-N 3.32Å; L298-I301 PolarHBondContact O-N 3.49Å; I301-S303 PolarHBondContact O-N 3.43Å; I301-C304 WeakPolarHBondContact O-CB 3.41Å; I301-C304 PolarHBondContact O-N 2.97Å; I301-I305 HydrophobicContact CG2-CD1 4Å; I301-I305 WeakPolarHBondContact O-CG1 3.49Å; I301-I305 PolarHBondContact O-N 3.47Å; I301-L331 HydrophobicContact CB-CD1 3.95Å; I301-L331 HydrophobicContact CD1-CD1 3.79Å; I301-L331 HydrophobicContact CG1-CD1 4.48Å; I301-L331 HydrophobicContact CG2-CD1 3.48Å; I301-L331 VanDerWaalsContact CG2-CD1 3.48Å
302F82.6Confident76.8Confident7 Ų734.2 Ų34.23%0.03116%0.163CC..Hα-helixtrans-61.2-44.3175.4-176.3-111.6000112.1L298 R300 C304 I305 I306 L328 V352 L355 A356 T374L298-F302 WeakPolarHBondContact O-CB 3.35Å; L298-F302 PolarHBondContact O-N 3.38Å; R300-F302 VanDerWaalsContact C-N 3.34Å; R300-F302 PolarHBondContact O-N 3.19Å; F302-C304 VanDerWaalsContact C-N 3.34Å; F302-C304 PolarHBondContact O-N 3.49Å; F302-I305 PolarHBondContact O-N 3.43Å; F302-I306 HydrophobicContact CD1-CD1 4.04Å; F302-I306 HydrophobicContact CE1-CD1 3.38Å; F302-I306 HydrophobicContact CE1-CG1 4.24Å; F302-I306 HydrophobicContact CE2-CD1 4.18Å; F302-I306 HydrophobicContact CE2-CG1 4.37Å; F302-I306 HydrophobicContact CZ-CD1 3.48Å; F302-I306 VanDerWaalsContact CZ-CD1 3.48Å; F302-I306 HydrophobicContact CZ-CG1 4.14Å; F302-I306 PolarHBondContact O-N 3.28Å; F302-L328 HydrophobicContact CD2-CD1 4.08Å; F302-L328 HydrophobicContact CE2-CD1 4.23Å; F302-V352 HydrophobicContact CB-CG1 4.35Å; F302-V352 HydrophobicContact CB-CG2 4.38Å; F302-V352 HydrophobicContact CD1-CG1 3.96Å; F302-V352 HydrophobicContact CD2-CG1 4.35Å; F302-V352 HydrophobicContact CE1-CG1 4.3Å; F302-V352 HydrophobicContact CG-CG1 3.96Å; F302-L355 HydrophobicContact CD1-CB 4.41Å; F302-L355 HydrophobicContact CE1-CB 4.26Å; F302-A356 HydrophobicContact CE1-CB 4.17Å; F302-A356 HydrophobicContact CZ-CB 3.98Å; F302-T374 HydrophobicContact CD2-CG2 4.05Å; F302-T374 HydrophobicContact CE2-CG2 3.49Å; F302-T374 VanDerWaalsContact CE2-CG2 3.49Å; F302-T374 HydrophobicContact CZ-CG2 4.42Å
303S78.3Confident75.6Confident16 Ų1634.8 Ų34.811%0.11217%0.166CC..Hα-helixtrans-61.9-39.9175.9-61.30000112.3E299 R300 I301 I306 S307E299-S303 WeakPolarHBondContact O-CB 3.44Å; E299-S303 PolarHBondContact O-N 2.94Å; E299-S303 PolarHBondContact O-OG 3.22Å; R300-S303 PolarHBondContact O-N 3.39Å; I301-S303 PolarHBondContact O-N 3.43Å; S303-I306 PolarHBondContact O-N 3.19Å; S303-S307 PolarHBondContact O-N 2.97Å
304C77.6Confident74.1Confident3 Ų340.2 Ų40.22%0.0220%0.201CC..Hα-helixtrans-61.6-43.1172.6-75.90000112.2M264 C267 R300 I301 F302 S307 V308M264-C304 PolarHBondContact O-SG 3.44Å; C267-C304 HydrophobicContact CB-CB 3.78Å; R300-C304 PolarHBondContact O-N 3.32Å; R300-C304 PolarHBondContact O-SG 2.94Å; I301-C304 WeakPolarHBondContact O-CB 3.41Å; I301-C304 PolarHBondContact O-N 2.97Å; F302-C304 VanDerWaalsContact C-N 3.34Å; F302-C304 PolarHBondContact O-N 3.49Å; C304-S307 WeakPolarHBondContact O-CB 3.44Å; C304-S307 PolarHBondContact O-N 3.06Å; C304-V308 WeakPolarHBondContact O-CG2 3.47Å; C304-V308 PolarHBondContact O-N 3.34Å
305I81.2Confident72.8Confident7 Ų749 Ų494%0.03624%0.242CC..Hα-helixtrans-64.6-42.4177.8-68.9167.4000110.9I301 F302 S307 V308 Q309 A324 L328I301-I305 HydrophobicContact CG2-CD1 4Å; I301-I305 WeakPolarHBondContact O-CG1 3.49Å; I301-I305 PolarHBondContact O-N 3.47Å; F302-I305 PolarHBondContact O-N 3.43Å; I305-S307 VanDerWaalsContact C-N 3.32Å; I305-S307 PolarHBondContact O-N 3.4Å; I305-V308 PolarHBondContact O-N 3.33Å; I305-Q309 WeakPolarHBondContact O-CG 3.48Å; I305-Q309 PolarHBondContact O-N 3.22Å; I305-A324 HydrophobicContact CG2-CB 4.29Å; I305-L328 HydrophobicContact CB-CD1 4.49Å; I305-L328 HydrophobicContact CD1-CB 4.06Å; I305-L328 HydrophobicContact CD1-CD1 3.91Å; I305-L328 HydrophobicContact CD1-CG 4.47Å; I305-L328 HydrophobicContact CG2-CD1 3.84Å
306I78.5Confident71.7Confident1 Ų151.9 Ų51.91%0.00526%0.261CS..Hα-helixtrans-62.9-39.1175.7-71.4-168.6000111.5F302 S303 V308 Q309 N310 H359 I367 L2311F302-I306 HydrophobicContact CD1-CD1 4.04Å; F302-I306 HydrophobicContact CE1-CD1 3.38Å; F302-I306 HydrophobicContact CE1-CG1 4.24Å; F302-I306 HydrophobicContact CE2-CD1 4.18Å; F302-I306 HydrophobicContact CE2-CG1 4.37Å; F302-I306 HydrophobicContact CZ-CD1 3.48Å; F302-I306 VanDerWaalsContact CZ-CD1 3.48Å; F302-I306 HydrophobicContact CZ-CG1 4.14Å; F302-I306 PolarHBondContact O-N 3.28Å; S303-I306 PolarHBondContact O-N 3.19Å; I306-V308 VanDerWaalsContact C-N 3.28Å; I306-V308 PolarHBondContact O-N 3.41Å; I306-Q309 WeakPolarHBondContact O-CB 3.07Å; I306-Q309 PolarHBondContact O-N 2.88Å; I306-N310 WeakPolarHBondContact O-CB 3.3Å; I306-N310 PolarHBondContact O-N 2.86Å; I306-H359 HydrophobicContact CD1-CB 4.11Å; I306-H359 WeakPolarHBondContact CD1-CD2 3.43Å; I306-I367 HydrophobicContact CD1-CG2 4.44Å; I306-I367 HydrophobicContact CG2-CD1 4.19Å; I306-I367 HydrophobicContact CG2-CG1 4.37Å; I306-I367 HydrophobicContact CG2-CG2 3.99Å; I306-L2311 HydrophobicContact CG2-CD1 4.34Å; I306-L2311 HydrophobicContact CG2-CD2 3.95Å
307S74.3Confident70.6Confident8 Ų844 Ų446%0.05623%0.228CC..Hα-helixtrans-58.3-38.3174.4175.30000112.9S303 C304 I305 N310S303-S307 PolarHBondContact O-N 2.97Å; C304-S307 WeakPolarHBondContact O-CB 3.44Å; C304-S307 PolarHBondContact O-N 3.06Å; I305-S307 VanDerWaalsContact C-N 3.32Å; I305-S307 PolarHBondContact O-N 3.4Å; S307-N310 PolarHBondContact O-N 3.35Å
308V76.4Confident70.1Confident3 Ų344.1 Ų44.12%0.01823%0.234CC..Hα-helixtrans-67.9-38.9173.7-179.20000111.1C267 K275 C304 I305 I306 N310 A320 A324C267-V308 HydrophobicContact CB-CG2 4.23Å; K275-V308 HydrophobicContact CB-CG1 4.41Å; K275-V308 HydrophobicContact CB-CG2 4.24Å; K275-V308 HydrophobicContact CD-CB 4.46Å; K275-V308 HydrophobicContact CD-CG1 4.24Å; K275-V308 HydrophobicContact CD-CG2 4.1Å; K275-V308 HydrophobicContact CG-CG2 4.35Å; C304-V308 WeakPolarHBondContact O-CG2 3.47Å; C304-V308 PolarHBondContact O-N 3.34Å; I305-V308 PolarHBondContact O-N 3.33Å; I306-V308 VanDerWaalsContact C-N 3.28Å; I306-V308 PolarHBondContact O-N 3.41Å; V308-N310 VanDerWaalsContact C-N 3.28Å; V308-N310 PolarHBondContact O-N 2.8Å; V308-A320 HydrophobicContact CG1-CB 4.07Å; V308-A324 HydrophobicContact CB-CB 4.23Å; V308-A324 HydrophobicContact CG1-CB 3.92Å
309Q75.8Confident69.6Low6 Ų648.4 Ų48.43%0.02826%0.256CS..Hα-helixtrans-68.2-23.9177.6-66.9-69-14.700113.5I305 I306 E311 K321 I367 T370I305-Q309 WeakPolarHBondContact O-CG 3.48Å; I305-Q309 PolarHBondContact O-N 3.22Å; I306-Q309 WeakPolarHBondContact O-CB 3.07Å; I306-Q309 PolarHBondContact O-N 2.88Å; Q309-E311 VanDerWaalsContact C-N 3.27Å; Q309-E311 PolarHBondContact O-N 3.14Å; Q309-K321 PolarHBondContact NE2-O 3.49Å; Q309-K321 WeakPolarHBondContact O-CE 3.46Å; Q309-K321 PolarHBondContact O-NZ 3.03Å; Q309-I367 HydrophobicContact CB-CG1 3.88Å; Q309-T370 HydrophobicContact CG-CG2 4.01Å
310N71Confident69.4Low6 Ų644.1 Ų44.13%0.03224%0.237CC..THydrogen-bonded Turntrans-75.14-174.3-159.832.3000116I306 S307 V308 I364 I367 L2311I306-N310 WeakPolarHBondContact O-CB 3.3Å; I306-N310 PolarHBondContact O-N 2.86Å; S307-N310 PolarHBondContact O-N 3.35Å; V308-N310 VanDerWaalsContact C-N 3.28Å; V308-N310 PolarHBondContact O-N 2.8Å; N310-I364 WeakPolarHBondContact OD1-CD1 3.32Å; N310-I367 HydrophobicContact CB-CD1 3.74Å; N310-I367 VanDerWaalsContact OD1-CD1 3.29Å; N310-I367 WeakPolarHBondContact OD1-CD1 3.39Å; N310-L2311 HydrophobicContact CB-CD2 3.92Å; N310-L2311 VanDerWaalsContact ND2-CA 3.29Å; N310-L2311 WeakPolarHBondContact ND2-CA 3.19Å; N310-L2311 VanDerWaalsContact ND2-CD2 3.27Å; N310-L2311 WeakPolarHBondContact ND2-CD2 3.5Å; N310-L2311 PolarHBondContact ND2-O 3.09Å; N310-L2311 VanDerWaalsContact ND2-O 3.14Å
311E60.8Low69.4Low20 Ų2041.6 Ų41.69%0.09323%0.228CC..  trans-90.3140.3-179.5-81.6-179172.100114.8K275 Q309 C317 K321 R2339K275-E311 WeakPolarHBondContact CE-OE1 3.26Å; K275-E311 WeakPolarHBondContact CE-OE2 3.48Å; K275-E311 IonicContact NZ-OE1 2.75Å; K275-E311 PolarHBondContact NZ-OE1 3.4Å; K275-E311 IonicContact NZ-OE2 3.63Å; K275-E311 PolarHBondContact NZ-OE2 3.29Å; Q309-E311 VanDerWaalsContact C-N 3.27Å; Q309-E311 PolarHBondContact O-N 3.14Å; E311-C317 PolarHBondContact OE2-SG 3.1Å; E311-K321 WeakPolarHBondContact O-CE 3.23Å; E311-K321 PolarHBondContact O-NZ 3.14Å; E311-R2339 IonicContact OE1-CZ 3.71Å; E311-R2339 IonicContact OE1-NH1 3.39Å; E311-R2339 PolarHBondContact OE1-NH1 3.41Å; E311-R2339 IonicContact OE1-NH2 3.92Å
312I54.8Low69.4Low107 Ų10750.1 Ų50.155%0.54926%0.26SS..  trans-87.3-24.1-166.5-55.2171.8000111.9V314I312-V314 PolarHBondContact O-N 3.27Å; I312-V314 VanDerWaalsContact O-N 3.17Å
313D53.5Low69.3Low112 Ų11252.2 Ų52.260%0.59927%0.27SS*.  trans-76.5106.9-175.8-72.1-20.7000112E315 C317D313-E315 PolarHBondContact O-N 3Å; D313-C317 WeakPolarHBondContact O-CB 3.23Å
314V52.8Low69.5Low131 Ų13151.4 Ų51.479%0.79427%0.265SS*.THydrogen-bonded Turntrans-68.2-29.2-168.2-176.10000113.4I312I312-V314 PolarHBondContact O-N 3.27Å; I312-V314 VanDerWaalsContact O-N 3.17Å
315E52Low69.8Low184 Ų18453.7 Ų53.786%0.8628%0.278SS*.THydrogen-bonded Turntrans-90.8-48.6-170.4-66.9-172.1165.500114.3D313D313-E315 PolarHBondContact O-N 3Å
316T52.6Low70Confident90 Ų9056.2 Ų56.255%0.55229%0.294SS*.THydrogen-bonded Turntrans-83.5-28.8-176.2480000113.1
317C59Low70.3Confident6 Ų656.3 Ų56.34%0.04129%0.294CS..THydrogen-bonded Turntrans-83.8-8.9-179.7-67.30000114.1E311 D313 I319 A320 K321E311-C317 PolarHBondContact OE2-SG 3.1Å; D313-C317 WeakPolarHBondContact O-CB 3.23Å; C317-I319 PolarHBondContact O-N 2.93Å; C317-A320 PolarHBondContact O-N 3.25Å; C317-A320 VanDerWaalsContact O-N 3.12Å; C317-K321 WeakPolarHBondContact O-CG 3.24Å; C317-K321 PolarHBondContact O-N 3.48Å
318G69.6Low70.8Confident27 Ų2756.3 Ų56.328%0.27829%0.294SS..Hα-helixtrans-57-34.6-179.600000113.3R322G318-R322 WeakPolarHBondContact O-CG 3.12Å; G318-R322 PolarHBondContact O-N 3.36Å
319I72.6Confident71.1Confident97 Ų9761.8 Ų61.850%0.49732%0.319SS..Hα-helixtrans-69.8-47.9176.1-60.7169.4000110.6V276 C317 K321 R322 H323V276-I319 HydrophobicContact CG2-CG2 4.39Å; C317-I319 PolarHBondContact O-N 2.93Å; I319-K321 VanDerWaalsContact C-N 3.35Å; I319-K321 PolarHBondContact O-N 3.1Å; I319-R322 PolarHBondContact O-N 3.13Å; I319-H323 PolarHBondContact O-CD2 3.33Å; I319-H323 PolarHBondContact O-N 3.4Å
320A74.6Confident71.5Confident1 Ų164.4 Ų64.41%0.00833%0.334CS..Hα-helixtrans-60.6-42.5177.900000111.9K275 V276 V308 C317 R322 H323 A324K275-A320 HydrophobicContact CB-CB 4.48Å; V276-A320 HydrophobicContact CG2-CB 3.83Å; V308-A320 HydrophobicContact CG1-CB 4.07Å; C317-A320 PolarHBondContact O-N 3.25Å; C317-A320 VanDerWaalsContact O-N 3.12Å; A320-R322 PolarHBondContact O-N 3.21Å; A320-H323 PolarHBondContact O-N 2.99Å; A320-A324 VanDerWaalsContact O-CB 3.31Å; A320-A324 WeakPolarHBondContact O-CB 3.42Å; A320-A324 PolarHBondContact O-N 2.85Å
321K77.3Confident72.1Confident39 Ų3964.5 Ų64.517%0.1733%0.334CS..Hα-helixtrans-63.2-39.3176.8-69.8-173.6-177.2-172.20112.5Q309 E311 C317 I319 A324 T325 S366Q309-K321 PolarHBondContact NE2-O 3.49Å; Q309-K321 WeakPolarHBondContact O-CE 3.46Å; Q309-K321 PolarHBondContact O-NZ 3.03Å; E311-K321 WeakPolarHBondContact O-CE 3.23Å; E311-K321 PolarHBondContact O-NZ 3.14Å; C317-K321 WeakPolarHBondContact O-CG 3.24Å; C317-K321 PolarHBondContact O-N 3.48Å; I319-K321 VanDerWaalsContact C-N 3.35Å; I319-K321 PolarHBondContact O-N 3.1Å; K321-A324 PolarHBondContact O-N 3.24Å; K321-T325 PolarHBondContact O-N 3.14Å; K321-T325 PolarHBondContact O-OG1 3.35Å; K321-S366 PolarHBondContact NZ-OG 2.83Å
322R81.5Confident72.9Confident182 Ų18264.3 Ų64.369%0.68733%0.333SS*.Hα-helixtrans-65.4-46.3174.1-79.2-176-169.31413.8112.2G318 I319 A320 A324 T325 V326G318-R322 WeakPolarHBondContact O-CG 3.12Å; G318-R322 PolarHBondContact O-N 3.36Å; I319-R322 PolarHBondContact O-N 3.13Å; A320-R322 PolarHBondContact O-N 3.21Å; R322-A324 VanDerWaalsContact C-N 3.28Å; R322-A324 PolarHBondContact O-N 3.26Å; R322-T325 WeakPolarHBondContact CA-OG1 3.48Å; R322-T325 PolarHBondContact O-N 3Å; R322-T325 PolarHBondContact O-OG1 2.9Å; R322-V326 WeakPolarHBondContact O-CG2 3.27Å; R322-V326 PolarHBondContact O-N 2.83Å
323H81.6Confident74.2Confident50 Ų5065 Ų6523%0.23134%0.338CS..Hα-helixtrans-62.7-38.9176.4-83.4-74.5000111.5C279 F280 I319 A320 T325 V326 T327C279-H323 HydrophobicContact CB-CB 4.02Å; F280-H323 AromaticContact CE2-CE1 3.79Å; F280-H323 AromaticContact CZ-CE1 3.44Å; F280-H323 VanDerWaalsContact CZ-CE1 3.44Å; F280-H323 WeakPolarHBondContact CZ-CE1 3.36Å; F280-H323 AromaticContact CZ-ND1 3.94Å; I319-H323 PolarHBondContact O-CD2 3.33Å; I319-H323 PolarHBondContact O-N 3.4Å; A320-H323 PolarHBondContact O-N 2.99Å; H323-T325 PolarHBondContact O-N 3.12Å; H323-V326 PolarHBondContact O-N 2.94Å; H323-V326 VanDerWaalsContact O-N 3.15Å; H323-T327 PolarHBondContact O-N 3.36Å; H323-T327 PolarHBondContact O-OG1 2.95Å
324A82.4Confident75.4Confident0 Ų062.4 Ų62.40%032%0.321CS..Hα-helixtrans-59-45.1174.700000112.2I305 V308 A320 K321 R322 V326 T327 L328I305-A324 HydrophobicContact CG2-CB 4.29Å; V308-A324 HydrophobicContact CB-CB 4.23Å; V308-A324 HydrophobicContact CG1-CB 3.92Å; A320-A324 VanDerWaalsContact O-CB 3.31Å; A320-A324 WeakPolarHBondContact O-CB 3.42Å; A320-A324 PolarHBondContact O-N 2.85Å; K321-A324 PolarHBondContact O-N 3.24Å; R322-A324 VanDerWaalsContact C-N 3.28Å; R322-A324 PolarHBondContact O-N 3.26Å; A324-V326 VanDerWaalsContact C-N 3.34Å; A324-V326 PolarHBondContact O-N 3.36Å; A324-T327 VanDerWaalsContact C-OG1 3.31Å; A324-T327 WeakPolarHBondContact CA-OG1 3.28Å; A324-T327 PolarHBondContact O-N 2.88Å; A324-T327 PolarHBondContact O-OG1 3.05Å; A324-L328 WeakPolarHBondContact O-CB 2.87Å; A324-L328 PolarHBondContact O-N 3.13Å
325T84Confident76.4Confident51 Ų5156.5 Ų56.531%0.31329%0.285SS..Hα-helixtrans-62.7-37.4174.143.10000112.7K321 R322 H323 L328 E329 T370K321-T325 PolarHBondContact O-N 3.14Å; K321-T325 PolarHBondContact O-OG1 3.35Å; R322-T325 WeakPolarHBondContact CA-OG1 3.48Å; R322-T325 PolarHBondContact O-N 3Å; R322-T325 PolarHBondContact O-OG1 2.9Å; H323-T325 PolarHBondContact O-N 3.12Å; T325-L328 WeakPolarHBondContact O-CB 3.28Å; T325-L328 PolarHBondContact O-N 2.9Å; T325-E329 PolarHBondContact O-N 3.18Å; T325-T370 HydrophobicContact CG2-CG2 4.14Å
326V85.6Confident77.2Confident60 Ų6048.4 Ų48.436%0.36425%0.252SS..Hα-helixtrans-68.9-42.8176.4173.90000111.5R322 H323 A324 L328 E329 N330R322-V326 WeakPolarHBondContact O-CG2 3.27Å; R322-V326 PolarHBondContact O-N 2.83Å; H323-V326 PolarHBondContact O-N 2.94Å; H323-V326 VanDerWaalsContact O-N 3.15Å; A324-V326 VanDerWaalsContact C-N 3.34Å; A324-V326 PolarHBondContact O-N 3.36Å; V326-L328 PolarHBondContact O-N 2.95Å; V326-E329 PolarHBondContact O-N 3.11Å; V326-N330 PolarHBondContact O-N 3.38Å
327T84.4Confident77.9Confident2 Ų247.9 Ų47.91%0.01225%0.251CS..Hα-helixtrans-57.9-38.8171.717.40000111.6C279 L282 N283 H323 A324 N330 L331C279-T327 HydrophobicContact CB-CG2 4.2Å; C279-T327 WeakPolarHBondContact O-CG2 3.28Å; L282-T327 HydrophobicContact CB-CG2 4.16Å; N283-T327 HydrophobicContact CB-CG2 4.21Å; N283-T327 WeakPolarHBondContact OD1-CA 2.97Å; N283-T327 WeakPolarHBondContact OD1-CG2 3.46Å; H323-T327 PolarHBondContact O-N 3.36Å; H323-T327 PolarHBondContact O-OG1 2.95Å; A324-T327 VanDerWaalsContact C-OG1 3.31Å; A324-T327 WeakPolarHBondContact CA-OG1 3.28Å; A324-T327 PolarHBondContact O-N 2.88Å; A324-T327 PolarHBondContact O-OG1 3.05Å; T327-N330 PolarHBondContact O-N 2.96Å; T327-L331 VanDerWaalsContact O-CB 3.27Å; T327-L331 WeakPolarHBondContact O-CB 2.97Å; T327-L331 PolarHBondContact O-N 2.98Å
328L83.7Confident78Confident8 Ų850.3 Ų50.34%0.04226%0.262CS..Hα-helixtrans-66.2-46177.6-168.5120.1000111F302 I305 A324 T325 V326 N330 L331 M332 T374F302-L328 HydrophobicContact CD2-CD1 4.08Å; F302-L328 HydrophobicContact CE2-CD1 4.23Å; I305-L328 HydrophobicContact CB-CD1 4.49Å; I305-L328 HydrophobicContact CD1-CB 4.06Å; I305-L328 HydrophobicContact CD1-CD1 3.91Å; I305-L328 HydrophobicContact CD1-CG 4.47Å; I305-L328 HydrophobicContact CG2-CD1 3.84Å; A324-L328 WeakPolarHBondContact O-CB 2.87Å; A324-L328 PolarHBondContact O-N 3.13Å; T325-L328 WeakPolarHBondContact O-CB 3.28Å; T325-L328 PolarHBondContact O-N 2.9Å; V326-L328 PolarHBondContact O-N 2.95Å; L328-N330 VanDerWaalsContact C-N 3.34Å; L328-N330 PolarHBondContact O-N 2.95Å; L328-L331 PolarHBondContact O-N 3.48Å; L328-M332 HydrophobicContact CD2-CG 4.49Å; L328-M332 WeakPolarHBondContact O-CB 3.37Å; L328-M332 WeakPolarHBondContact O-CG 3.36Å; L328-M332 PolarHBondContact O-N 2.85Å; L328-T374 HydrophobicContact CD1-CG2 3.58Å; L328-T374 HydrophobicContact CD2-CG2 3.58Å; L328-T374 HydrophobicContact CG-CG2 3.94Å
329E83.2Confident77.4Confident118 Ų11849.6 Ų49.655%0.55125%0.252SS*.Hα-helixtrans-59-43.9174.4-75.1178.9171.900112T325 V326 M332 N333T325-E329 PolarHBondContact O-N 3.18Å; V326-E329 PolarHBondContact O-N 3.11Å; E329-M332 PolarHBondContact O-N 3.49Å; E329-N333 WeakPolarHBondContact O-CB 3.48Å; E329-N333 PolarHBondContact O-N 3Å; E329-N333 PolarHBondContact O-ND2 3.38Å
330N83.9Confident76.7Confident62 Ų6247.8 Ų47.833%0.33225%0.251SS..Hα-helixtrans-64.1-42.3177.5-73.3-16.9000112.6N283 V326 T327 L328 N333 K334N283-N330 PolarHBondContact OD1-ND2 3.23Å; V326-N330 PolarHBondContact O-N 3.38Å; T327-N330 PolarHBondContact O-N 2.96Å; L328-N330 VanDerWaalsContact C-N 3.34Å; L328-N330 PolarHBondContact O-N 2.95Å; N330-N333 PolarHBondContact O-N 2.63Å; N330-K334 WeakPolarHBondContact O-CB 3.31Å; N330-K334 PolarHBondContact O-N 3.33Å
331L83.5Confident75.7Confident7 Ų758 Ų584%0.03729%0.29CS..Hα-helixtrans-60.3-49.4175.5-177131.9000110.3L286 L298 I301 T327 L328 N333 K334 I335L286-L331 HydrophobicContact CD1-CB 3.95Å; L286-L331 HydrophobicContact CD1-CD1 4.24Å; L286-L331 HydrophobicContact CD2-CB 4.47Å; L286-L331 HydrophobicContact CD2-CD1 4.16Å; L286-L331 HydrophobicContact CD2-CG 4.44Å; L298-L331 HydrophobicContact CD1-CD2 3.9Å; I301-L331 HydrophobicContact CB-CD1 3.95Å; I301-L331 HydrophobicContact CD1-CD1 3.79Å; I301-L331 HydrophobicContact CG1-CD1 4.48Å; I301-L331 HydrophobicContact CG2-CD1 3.48Å; I301-L331 VanDerWaalsContact CG2-CD1 3.48Å; T327-L331 VanDerWaalsContact O-CB 3.27Å; T327-L331 WeakPolarHBondContact O-CB 2.97Å; T327-L331 PolarHBondContact O-N 2.98Å; L328-L331 PolarHBondContact O-N 3.48Å; L331-N333 PolarHBondContact O-N 3.07Å; L331-K334 PolarHBondContact O-N 2.61Å; L331-I335 HydrophobicContact CD2-CD1 3.45Å; L331-I335 VanDerWaalsContact CD2-CD1 3.45Å; L331-I335 HydrophobicContact CG-CD1 3.7Å; L331-I335 VanDerWaalsContact O-CD1 3.24Å; L331-I335 WeakPolarHBondContact O-CD1 3.4Å; L331-I335 VanDerWaalsContact O-CG1 3.25Å; L331-I335 WeakPolarHBondContact O-CG1 3.34Å; L331-I335 PolarHBondContact O-N 3.01Å; L331-I335 VanDerWaalsContact O-N 3.07Å
332M78.6Confident74.4Confident17 Ų1761.9 Ų61.98%0.08431%0.308CS..Hα-helixtrans-63.7-39.8179.5-63.1-68.4-103.200112.3L328 E329 K334 G336 T374 L378L328-M332 HydrophobicContact CD2-CG 4.49Å; L328-M332 WeakPolarHBondContact O-CB 3.37Å; L328-M332 WeakPolarHBondContact O-CG 3.36Å; L328-M332 PolarHBondContact O-N 2.85Å; E329-M332 PolarHBondContact O-N 3.49Å; M332-K334 VanDerWaalsContact C-N 3.35Å; M332-K334 PolarHBondContact O-N 3.32Å; M332-G336 PolarHBondContact O-N 3.09Å; M332-T374 HydrophobicContact CE-CG2 3.92Å; M332-T374 WeakPolarHBondContact CE-O 3.34Å; M332-L378 HydrophobicContact CE-CB 4.1Å; M332-L378 HydrophobicContact CE-CD1 3.85Å; M332-L378 HydrophobicContact CE-CG 3.53Å; M332-L378 HydrophobicContact SD-CD1 4.49Å; M332-L378 HydrophobicContact SD-CG 4.18Å
333N81.3Confident73Confident121 Ų12161.5 Ų61.565%0.64732%0.32SS*.Hα-helixtrans-64-38.7176.1-75.3-24.1000112.2E329 N330 L331E329-N333 WeakPolarHBondContact O-CB 3.48Å; E329-N333 PolarHBondContact O-N 3Å; E329-N333 PolarHBondContact O-ND2 3.38Å; N330-N333 PolarHBondContact O-N 2.63Å; L331-N333 PolarHBondContact O-N 3.07Å
334K78.6Confident71.9Confident57 Ų5763.1 Ų63.125%0.24834%0.337CS..Hα-helixtrans-69.4-43.5179.8-166.2138.7174.8171.30111.4L286 E287 L289 T291 N330 L331 M332 S337L286-K334 WeakPolarHBondContact O-CD 3.4Å; L286-K334 WeakPolarHBondContact O-CE 3.43Å; L286-K334 PolarHBondContact O-NZ 3.2Å; E287-K334 PolarHBondContact O-NZ 3.47Å; L289-K334 WeakPolarHBondContact O-CE 3.49Å; L289-K334 PolarHBondContact O-NZ 3.08Å; T291-K334 HydrophobicContact CG2-CG 3.76Å; N330-K334 WeakPolarHBondContact O-CB 3.31Å; N330-K334 PolarHBondContact O-N 3.33Å; L331-K334 PolarHBondContact O-N 2.61Å; M332-K334 VanDerWaalsContact C-N 3.35Å; M332-K334 PolarHBondContact O-N 3.32Å; K334-S337 PolarHBondContact O-OG 2.83Å
335I74.1Confident70.9Confident7 Ų765.4 Ų65.44%0.03635%0.352CS..Hα-helixtrans-69.9-37.4178.5-62.4157000112.2A294 L295 L298 L331 S337 E338 L339A294-I335 HydrophobicContact CB-CG1 4.49Å; L295-I335 HydrophobicContact CD2-CG2 4.16Å; L298-I335 HydrophobicContact CD1-CD1 3.11Å; L298-I335 HydrophobicContact CD1-CG1 4.27Å; L331-I335 HydrophobicContact CD2-CD1 3.45Å; L331-I335 VanDerWaalsContact CD2-CD1 3.45Å; L331-I335 HydrophobicContact CG-CD1 3.7Å; L331-I335 VanDerWaalsContact O-CD1 3.24Å; L331-I335 WeakPolarHBondContact O-CD1 3.4Å; L331-I335 VanDerWaalsContact O-CG1 3.25Å; L331-I335 WeakPolarHBondContact O-CG1 3.34Å; L331-I335 PolarHBondContact O-N 3.01Å; L331-I335 VanDerWaalsContact O-N 3.07Å; I335-S337 PolarHBondContact O-N 3.23Å; I335-E338 PolarHBondContact O-N 3.03Å; I335-E338 VanDerWaalsContact O-N 3.08Å; I335-L339 HydrophobicContact CG2-CD1 3.19Å; I335-L339 PolarHBondContact O-N 2.74Å
336G68.9Low70.1Confident15 Ų1564 Ų6416%0.15534%0.344CS..Hα-helixtrans-59.7-18.2-177.700000114.4M332M332-G336 PolarHBondContact O-N 3.09Å
337S68Low69.5Low78 Ų7866.8 Ų66.855%0.54536%0.362SS..Hα-helixtrans-74.3-28.7176.669.70000114.2K334 I335K334-S337 PolarHBondContact O-OG 2.83Å; I335-S337 PolarHBondContact O-N 3.23Å
338E59.8Low69Low58 Ų5870 Ų7027%0.27138%0.376SS..Hα-helixtrans-96.8-38-179.7-81-175.5172.100113.2T291 I335 A340 R341T291-E338 WeakPolarHBondContact CB-OE1 3.44Å; T291-E338 WeakPolarHBondContact CB-OE2 3.35Å; T291-E338 PolarHBondContact OG1-OE1 3.01Å; T291-E338 PolarHBondContact OG1-OE2 3.1Å; I335-E338 PolarHBondContact O-N 3.03Å; I335-E338 VanDerWaalsContact O-N 3.08Å; E338-A340 PolarHBondContact O-N 3.27Å; E338-A340 VanDerWaalsContact O-N 3.08Å; E338-R341 PolarHBondContact O-N 3.49Å; E338-R341 VanDerWaalsContact O-N 3.08Å
339L57.9Low68.6Low12 Ų1269.7 Ų69.76%0.06338%0.375CS..Hα-helixtrans-63-17.3179.4-104.1117000114.1L295 I335 R341 P346 V349L295-L339 HydrophobicContact CD2-CD1 4.25Å; I335-L339 HydrophobicContact CG2-CD1 3.19Å; I335-L339 PolarHBondContact O-N 2.74Å; L339-R341 PolarHBondContact O-N 3.21Å; L339-P346 HydrophobicContact CD2-CG 4.29Å; L339-P346 HydrophobicContact CG-CG 4.42Å; L339-V349 HydrophobicContact CD1-CG2 4.08Å; L339-V349 HydrophobicContact CD2-CG2 4.29Å
340A58.2Low68.3Low58 Ų5865.1 Ų65.148%0.47936%0.357SS..THydrogen-bonded Turntrans-68.8-8.4174.700000113.9E338E338-A340 PolarHBondContact O-N 3.27Å; E338-A340 VanDerWaalsContact O-N 3.08Å
341R53Low67.9Low216 Ų21663 Ų6382%0.81535%0.347SS*.THydrogen-bonded Turntrans-98.7-15.2-177.8-70.5-177.7176.41610.9114.9E338 L339E338-R341 PolarHBondContact O-N 3.49Å; E338-R341 VanDerWaalsContact O-N 3.08Å; L339-R341 PolarHBondContact O-N 3.21Å
342E49.6Very low67.7Low120 Ų12062.9 Ų62.956%0.56135%0.347SS*.  trans-116128.6-175.5-65.5-168160.100111.9S344E342-S344 PolarHBondContact O-N 3.04Å
343D53.2Low67.7Low175 Ų17562.3 Ų62.394%0.93634%0.344SS*.SBendtrans-76.1-5.9-179.1-74-31.3000113.4
344S59Low67.6Low84 Ų8461.7 Ų61.759%0.58733%0.333SS*.SBendtrans-123.3140-176.658.60000112.7E342 P346E342-S344 PolarHBondContact O-N 3.04Å; S344-P346 WeakPolarHBondContact O-CD 3.27Å
345C60.2Low67.6Low47 Ų4760.1 Ų60.132%0.31833%0.327SS..  trans-66.9121.2-178.6-161.10000111.4
346P68.3Low67.8Low23 Ų2359.9 Ų59.915%0.14933%0.326CS..  trans-60.9147.7175.9-19.229.4000111.8L339 S344 E348 V349 A350L339-P346 HydrophobicContact CD2-CG 4.29Å; L339-P346 HydrophobicContact CG-CG 4.42Å; S344-P346 WeakPolarHBondContact O-CD 3.27Å; P346-E348 PolarHBondContact O-N 3.41Å; P346-V349 HydrophobicContact CB-CG2 4.17Å; P346-V349 HydrophobicContact CG-CG2 4.05Å; P346-V349 PolarHBondContact O-N 3.35Å; P346-A350 PolarHBondContact O-N 2.9Å; P346-A350 VanDerWaalsContact O-N 3.12Å
347T72.1Confident68.3Low118 Ų11859.2 Ų59.272%0.72432%0.318SS*.Hα-helixtrans-57.1-34.9-178.934.70000113.2A350 S351T347-A350 PolarHBondContact O-N 2.86Å; T347-S351 PolarHBondContact O-N 3.21Å
348E72.9Confident68.7Low70 Ų7061.2 Ų61.233%0.32731%0.314SS..Hα-helixtrans-69.8-31.8177.5-54.493.3166.700112.5P346 S351 V352P346-E348 PolarHBondContact O-N 3.41Å; E348-S351 PolarHBondContact O-OG 2.86Å; E348-V352 PolarHBondContact O-N 3.34Å
349V76.6Confident69.6Low1 Ų159.6 Ų59.61%0.00631%0.307CS..Hα-helixtrans-72.6-39.3176.6178.40000110.3L298 L339 P346 S351 V352 V353 L378L298-V349 HydrophobicContact CD2-CG2 4.18Å; L339-V349 HydrophobicContact CD1-CG2 4.08Å; L339-V349 HydrophobicContact CD2-CG2 4.29Å; P346-V349 HydrophobicContact CB-CG2 4.17Å; P346-V349 HydrophobicContact CG-CG2 4.05Å; P346-V349 PolarHBondContact O-N 3.35Å; V349-S351 VanDerWaalsContact C-N 3.31Å; V349-S351 PolarHBondContact O-N 3.41Å; V349-V352 PolarHBondContact O-N 2.63Å; V349-V353 HydrophobicContact CG1-CG2 4.45Å; V349-V353 WeakPolarHBondContact O-CG2 3.47Å; V349-V353 PolarHBondContact O-N 3.39Å; V349-L378 HydrophobicContact CG1-CD1 4.4Å; V349-L378 HydrophobicContact CG1-CD2 3.55Å
350A76Confident70.4Confident21 Ų2159 Ų5917%0.17430%0.304CS..Hα-helixtrans-60.6-39175.500000112.2P346 T347 V353 R354P346-A350 PolarHBondContact O-N 2.9Å; P346-A350 VanDerWaalsContact O-N 3.12Å; T347-A350 PolarHBondContact O-N 2.86Å; A350-V353 PolarHBondContact O-N 2.88Å; A350-R354 WeakPolarHBondContact O-CB 3.33Å; A350-R354 PolarHBondContact O-N 3.4Å
351S76.6Confident71.2Confident18 Ų1857.5 Ų57.513%0.12629%0.288CS..Hα-helixtrans-65.1-40.1177.177.30000112.6E299 T347 E348 V349 R354 L355E299-S351 WeakPolarHBondContact OE2-CB 3.48Å; E299-S351 PolarHBondContact OE2-OG 2.98Å; T347-S351 PolarHBondContact O-N 3.21Å; E348-S351 PolarHBondContact O-OG 2.86Å; V349-S351 VanDerWaalsContact C-N 3.31Å; V349-S351 PolarHBondContact O-N 3.41Å; S351-R354 VanDerWaalsContact O-CB 3.27Å; S351-R354 WeakPolarHBondContact O-CB 3.29Å; S351-R354 PolarHBondContact O-N 2.97Å; S351-L355 PolarHBondContact O-N 2.89Å
352V78.3Confident72.2Confident5 Ų548.3 Ų48.33%0.0326%0.257CS..Hα-helixtrans-66.4-40.7175170.10000112.5L298 E299 F302 E348 V349 R354 L355 A356L298-V352 HydrophobicContact CB-CG2 4.25Å; L298-V352 HydrophobicContact CD2-CB 3.92Å; L298-V352 HydrophobicContact CD2-CG1 4.44Å; L298-V352 HydrophobicContact CD2-CG2 3.48Å; L298-V352 VanDerWaalsContact CD2-CG2 3.48Å; L298-V352 HydrophobicContact CG-CG2 3.74Å; E299-V352 HydrophobicContact CB-CG2 4.12Å; F302-V352 HydrophobicContact CB-CG1 4.35Å; F302-V352 HydrophobicContact CB-CG2 4.38Å; F302-V352 HydrophobicContact CD1-CG1 3.96Å; F302-V352 HydrophobicContact CD2-CG1 4.35Å; F302-V352 HydrophobicContact CE1-CG1 4.3Å; F302-V352 HydrophobicContact CG-CG1 3.96Å; E348-V352 PolarHBondContact O-N 3.34Å; V349-V352 PolarHBondContact O-N 2.63Å; V352-R354 VanDerWaalsContact C-N 3.28Å; V352-R354 PolarHBondContact O-N 3.28Å; V352-L355 PolarHBondContact O-N 2.84Å; V352-A356 WeakPolarHBondContact O-CB 3.42Å; V352-A356 PolarHBondContact O-N 3.04Å
353V79.1Confident73.2Confident4 Ų444 Ų442%0.02424%0.24CC..Hα-helixtrans-59.9-42.5173.6173.60000110.2V349 A350 L355 A356 I357 L389V349-V353 HydrophobicContact CG1-CG2 4.45Å; V349-V353 WeakPolarHBondContact O-CG2 3.47Å; V349-V353 PolarHBondContact O-N 3.39Å; A350-V353 PolarHBondContact O-N 2.88Å; V353-L355 PolarHBondContact O-N 3.44Å; V353-A356 PolarHBondContact O-N 3.42Å; V353-I357 HydrophobicContact CG1-CD1 3.87Å; V353-I357 HydrophobicContact CG1-CG1 4.42Å; V353-I357 VanDerWaalsContact O-CG1 3.25Å; V353-I357 WeakPolarHBondContact O-CG1 3.42Å; V353-I357 PolarHBondContact O-N 3.12Å; V353-L389 HydrophobicContact CG2-CD2 3.86Å
354R80.1Confident74.2Confident109 Ų10937 Ų3741%0.41120%0.202SC..Hα-helixtrans-58.4-45.5176.4-147.3-171.5-42.5-123.49.8112.5A350 S351 V352 R358 E393 V396A350-R354 WeakPolarHBondContact O-CB 3.33Å; A350-R354 PolarHBondContact O-N 3.4Å; S351-R354 VanDerWaalsContact O-CB 3.27Å; S351-R354 WeakPolarHBondContact O-CB 3.29Å; S351-R354 PolarHBondContact O-N 2.97Å; V352-R354 VanDerWaalsContact C-N 3.28Å; V352-R354 PolarHBondContact O-N 3.28Å; R354-R358 PolarHBondContact O-N 3.16Å; R354-E393 HydrophobicContact CB-CG 4.16Å; R354-E393 WeakPolarHBondContact CD-OE2 3.33Å; R354-E393 HydrophobicContact CG-CB 4.5Å; R354-E393 HydrophobicContact CG-CG 4.02Å; R354-E393 WeakPolarHBondContact CG-OE2 3.43Å; R354-E393 IonicContact CZ-OE1 3.45Å; R354-E393 IonicContact CZ-OE2 3.16Å; R354-E393 VanDerWaalsContact CZ-OE2 3.31Å; R354-E393 IonicContact NE-OE1 3.33Å; R354-E393 PolarHBondContact NE-OE1 2.76Å; R354-E393 IonicContact NE-OE2 3.66Å; R354-E393 PolarHBondContact NE-OE2 3.2Å; R354-E393 VanDerWaalsContact NH1-CD 3.25Å; R354-E393 IonicContact NH1-OE1 2.69Å; R354-E393 PolarHBondContact NH1-OE1 3.34Å; R354-E393 IonicContact NH1-OE2 2.69Å; R354-E393 PolarHBondContact NH1-OE2 3.4Å; R354-E393 IonicContact NH2-OE1 3.35Å; R354-E393 PolarHBondContact NH2-OE1 2.79Å; R354-E393 VanDerWaalsContact NH2-OE1 3.09Å; R354-V396 HydrophobicContact CG-CB 4.5Å; R354-V396 HydrophobicContact CG-CG2 3.72Å
355L76.9Confident74.9Confident24 Ų2436.2 Ų36.213%0.12620%0.195CC..Hα-helixtrans-65.5-45.5174.6-92.1156.9000112E299 F302 S351 V352 V353 I357 R358 H359E299-L355 HydrophobicContact CG-CD1 3.45Å; E299-L355 VanDerWaalsContact CG-CD1 3.45Å; E299-L355 WeakPolarHBondContact OE1-CD1 3.28Å; F302-L355 HydrophobicContact CD1-CB 4.41Å; F302-L355 HydrophobicContact CE1-CB 4.26Å; S351-L355 PolarHBondContact O-N 2.89Å; V352-L355 PolarHBondContact O-N 2.84Å; V353-L355 PolarHBondContact O-N 3.44Å; L355-I357 VanDerWaalsContact C-N 3.3Å; L355-I357 PolarHBondContact O-N 2.93Å; L355-R358 WeakPolarHBondContact O-CB 3.31Å; L355-R358 PolarHBondContact O-N 2.69Å; L355-R358 VanDerWaalsContact O-N 3.14Å; L355-H359 PolarHBondContact O-CD2 2.83Å; L355-H359 PolarHBondContact O-N 3.35Å
356A79.6Confident75.7Confident1 Ų135.3 Ų35.31%0.00819%0.189CC..Hα-helixtrans-58.9-41178.700000111.8F302 V352 V353 R358 H359 M360 A371 I375F302-A356 HydrophobicContact CE1-CB 4.17Å; F302-A356 HydrophobicContact CZ-CB 3.98Å; V352-A356 WeakPolarHBondContact O-CB 3.42Å; V352-A356 PolarHBondContact O-N 3.04Å; V353-A356 PolarHBondContact O-N 3.42Å; A356-R358 PolarHBondContact O-N 2.9Å; A356-H359 PolarHBondContact O-N 2.9Å; A356-H359 VanDerWaalsContact O-N 3.13Å; A356-M360 PolarHBondContact O-N 3.17Å; A356-M360 VanDerWaalsContact O-N 3.1Å; A356-A371 HydrophobicContact CB-CB 4.29Å; A356-A371 WeakPolarHBondContact O-CB 3.39Å; A356-I375 HydrophobicContact CB-CD1 4.07Å; A356-I375 HydrophobicContact CB-CG1 4.07Å
357I78Confident76.2Confident1 Ų134.3 Ų34.31%0.00518%0.182CC..Hα-helixtrans-60.2-45.5175-68.1164.7000111.1V353 L355 H359 M360 L390 E393 V396 I397 I400V353-I357 HydrophobicContact CG1-CD1 3.87Å; V353-I357 HydrophobicContact CG1-CG1 4.42Å; V353-I357 VanDerWaalsContact O-CG1 3.25Å; V353-I357 WeakPolarHBondContact O-CG1 3.42Å; V353-I357 PolarHBondContact O-N 3.12Å; L355-I357 VanDerWaalsContact C-N 3.3Å; L355-I357 PolarHBondContact O-N 2.93Å; I357-H359 PolarHBondContact O-N 3.34Å; I357-M360 WeakPolarHBondContact O-CB 3.45Å; I357-M360 PolarHBondContact O-N 3.21Å; I357-L390 HydrophobicContact CD1-CD2 3.96Å; I357-L390 HydrophobicContact CG1-CD2 3.94Å; I357-E393 HydrophobicContact CD1-CB 4.01Å; I357-V396 HydrophobicContact CG2-CG1 4.3Å; I357-I397 HydrophobicContact CD1-CD1 4.21Å; I357-I397 HydrophobicContact CD1-CG1 4.15Å; I357-I397 HydrophobicContact CG2-CG1 3.77Å; I357-I400 HydrophobicContact CG2-CD1 4.09Å
358R77.6Confident76.6Confident121 Ų12129.1 Ų29.146%0.45715%0.149SC..Hα-helixtrans-59.5-35.9174.7-84.9179.8170.6177.5-1.1112.7R354 L355 A356 V396 I400R354-R358 PolarHBondContact O-N 3.16Å; L355-R358 WeakPolarHBondContact O-CB 3.31Å; L355-R358 PolarHBondContact O-N 2.69Å; L355-R358 VanDerWaalsContact O-N 3.14Å; A356-R358 PolarHBondContact O-N 2.9Å; R358-V396 HydrophobicContact CG-CG1 4.18Å; R358-I400 HydrophobicContact CB-CD1 4.43Å; R358-I400 HydrophobicContact CG-CD1 3.8Å
359H77.9Confident76.9Confident24 Ų2432.2 Ų32.211%0.11116%0.164CC..Hα-helixtrans-79.5-13.8-178.8-70.3-48.8000114.6I306 L355 A356 I357 V361 S362 I367 A371 L2311I306-H359 HydrophobicContact CD1-CB 4.11Å; I306-H359 WeakPolarHBondContact CD1-CD2 3.43Å; L355-H359 PolarHBondContact O-CD2 2.83Å; L355-H359 PolarHBondContact O-N 3.35Å; A356-H359 PolarHBondContact O-N 2.9Å; A356-H359 VanDerWaalsContact O-N 3.13Å; I357-H359 PolarHBondContact O-N 3.34Å; H359-V361 PolarHBondContact O-N 3.34Å; H359-S362 WeakPolarHBondContact O-CB 3.19Å; H359-S362 PolarHBondContact O-N 3.24Å; H359-S362 VanDerWaalsContact O-N 3.09Å; H359-I367 HydrophobicContact CB-CG2 3.77Å; H359-A371 HydrophobicContact CB-CB 4.18Å; H359-L2311 WeakPolarHBondContact CE1-CD1 3.19Å
360M75.3Confident77.2Confident0 Ų032.6 Ų32.60%017%0.167CC..THydrogen-bonded Turntrans-62.6-25.4174.3-78.3177.341.200113.9A356 I357 S362 R368 A371 M372 I375 G422 F425 I426A356-M360 PolarHBondContact O-N 3.17Å; A356-M360 VanDerWaalsContact O-N 3.1Å; I357-M360 WeakPolarHBondContact O-CB 3.45Å; I357-M360 PolarHBondContact O-N 3.21Å; M360-S362 VanDerWaalsContact C-N 3.32Å; M360-R368 WeakPolarHBondContact O-CD 3.03Å; M360-R368 VanDerWaalsContact O-CG 3.31Å; M360-R368 WeakPolarHBondContact O-CG 3.29Å; M360-A371 HydrophobicContact CG-CB 4.39Å; M360-M372 HydrophobicContact CG-CG 4.42Å; M360-I375 HydrophobicContact SD-CD1 4.17Å; M360-G422 WeakPolarHBondContact CE-O 3.4Å; M360-F425 HydrophobicContact CE-CB 4.21Å; M360-F425 HydrophobicContact CE-CD1 3.72Å; M360-F425 HydrophobicContact CE-CG 4.35Å; M360-F425 HydrophobicContact SD-CD1 3.89Å; M360-F425 HydrophobicContact SD-CE1 4.2Å; M360-I426 HydrophobicContact CE-CD1 3.94Å; M360-I426 HydrophobicContact CE-CG1 3.71Å
361V74.4Confident77.5Confident26 Ų2631.6 Ų31.616%0.15816%0.158CC..THydrogen-bonded Turntrans-96.915.4178.5-1670000111.5H359 I400 F401 A418 Y419H359-V361 PolarHBondContact O-N 3.34Å; V361-I400 HydrophobicContact CB-CG2 4.37Å; V361-I400 HydrophobicContact CG2-CG2 3.59Å; V361-F401 HydrophobicContact CG2-CE1 3.91Å; V361-F401 HydrophobicContact CG2-CE2 3.9Å; V361-F401 HydrophobicContact CG2-CZ 3.34Å; V361-A418 WeakPolarHBondContact O-CB 3.42Å; V361-Y419 HydrophobicContact CG1-CD2 4.03Å
362S74.8Confident77.9Confident23 Ų2331.9 Ų31.916%0.16116%0.158CC..  trans-64.7135.5176.3176.10000112.5H359 M360 I364 R368 A418H359-S362 WeakPolarHBondContact O-CB 3.19Å; H359-S362 PolarHBondContact O-N 3.24Å; H359-S362 VanDerWaalsContact O-N 3.09Å; M360-S362 VanDerWaalsContact C-N 3.32Å; S362-I364 PolarHBondContact O-N 2.94Å; S362-I364 PolarHBondContact OG-N 3.19Å; S362-R368 WeakPolarHBondContact O-CD 3.43Å; S362-R368 WeakPolarHBondContact O-CG 3.34Å; S362-R368 PolarHBondContact O-NH1 3.24Å; S362-A418 WeakPolarHBondContact O-CB 3.48Å
363C71.3Confident78.1Confident29 Ų2934.2 Ų34.220%0.19617%0.174CC..SBendtrans-56.7-19.3172.5-60.60000113.2P414C363-P414 HydrophobicContact CB-CB 4.02Å
364I72.5Confident78.2Confident27 Ų2734.1 Ų34.114%0.13817%0.174CC..SBendtrans-100.2121.7-174.2-66.7158.2000110.6N310 S362 S366 I367 R368N310-I364 WeakPolarHBondContact OD1-CD1 3.32Å; S362-I364 PolarHBondContact O-N 2.94Å; S362-I364 PolarHBondContact OG-N 3.19Å; I364-S366 VanDerWaalsContact C-N 3.35Å; I364-S366 PolarHBondContact O-N 3.25Å; I364-I367 HydrophobicContact CB-CD1 4.16Å; I364-I367 HydrophobicContact CB-CG1 4.32Å; I364-I367 HydrophobicContact CD1-CD1 4.25Å; I364-I367 HydrophobicContact CG2-CD1 4.34Å; I364-I367 HydrophobicContact CG2-CG1 4.13Å; I364-I367 PolarHBondContact O-N 2.92Å; I364-R368 PolarHBondContact O-N 2.76Å
365P75.6Confident78.3Confident69 Ų6929 Ų2945%0.44816%0.155SC..Hα-helixtrans-59.1-40-176.2-21.930.3000114.1I367 R368 E369P365-I367 VanDerWaalsContact C-N 3.28Å; P365-I367 PolarHBondContact O-N 2.71Å; P365-R368 PolarHBondContact O-N 3.42Å; P365-R368 VanDerWaalsContact O-N 3.12Å; P365-E369 PolarHBondContact O-N 3.4Å
366S75.5Confident78.6Confident27 Ų2733.4 Ų33.419%0.18917%0.169CC..Hα-helixtrans-60.5-39-177-240000112.2K321 I364 T370K321-S366 PolarHBondContact NZ-OG 2.83Å; I364-S366 VanDerWaalsContact C-N 3.35Å; I364-S366 PolarHBondContact O-N 3.25Å; S366-T370 WeakPolarHBondContact O-CB 3.28Å; S366-T370 WeakPolarHBondContact O-CG2 3.47Å; S366-T370 PolarHBondContact O-N 3.03Å; S366-T370 PolarHBondContact O-OG1 3.12Å
367I78.3Confident78.6Confident2 Ų235.1 Ų35.11%0.0118%0.182CC..Hα-helixtrans-69.9-41.6178.1-61.8178.8000110.2I306 Q309 N310 H359 I364 P365 T370 A371I306-I367 HydrophobicContact CD1-CG2 4.44Å; I306-I367 HydrophobicContact CG2-CD1 4.19Å; I306-I367 HydrophobicContact CG2-CG1 4.37Å; I306-I367 HydrophobicContact CG2-CG2 3.99Å; Q309-I367 HydrophobicContact CB-CG1 3.88Å; N310-I367 HydrophobicContact CB-CD1 3.74Å; N310-I367 VanDerWaalsContact OD1-CD1 3.29Å; N310-I367 WeakPolarHBondContact OD1-CD1 3.39Å; H359-I367 HydrophobicContact CB-CG2 3.77Å; I364-I367 HydrophobicContact CB-CD1 4.16Å; I364-I367 HydrophobicContact CB-CG1 4.32Å; I364-I367 HydrophobicContact CD1-CD1 4.25Å; I364-I367 HydrophobicContact CG2-CD1 4.34Å; I364-I367 HydrophobicContact CG2-CG1 4.13Å; I364-I367 PolarHBondContact O-N 2.92Å; P365-I367 VanDerWaalsContact C-N 3.28Å; P365-I367 PolarHBondContact O-N 2.71Å; I367-T370 WeakPolarHBondContact CA-OG1 3.37Å; I367-T370 PolarHBondContact O-N 3.27Å; I367-T370 PolarHBondContact O-OG1 3.45Å; I367-A371 WeakPolarHBondContact O-CB 3.48Å; I367-A371 PolarHBondContact O-N 3.39Å
368R80.6Confident78.5Confident9 Ų935.4 Ų35.43%0.03418%0.183CC..Hα-helixtrans-62.2-47.1176.7-66.7-162.2-53.8-84.20111.7M360 S362 I364 P365 T370 A371 M372 E421M360-R368 WeakPolarHBondContact O-CD 3.03Å; M360-R368 VanDerWaalsContact O-CG 3.31Å; M360-R368 WeakPolarHBondContact O-CG 3.29Å; S362-R368 WeakPolarHBondContact O-CD 3.43Å; S362-R368 WeakPolarHBondContact O-CG 3.34Å; S362-R368 PolarHBondContact O-NH1 3.24Å; I364-R368 PolarHBondContact O-N 2.76Å; P365-R368 PolarHBondContact O-N 3.42Å; P365-R368 VanDerWaalsContact O-N 3.12Å; R368-T370 PolarHBondContact O-N 2.98Å; R368-A371 PolarHBondContact O-N 2.87Å; R368-M372 HydrophobicContact CB-CE 4.15Å; R368-M372 WeakPolarHBondContact O-CB 3.46Å; R368-M372 VanDerWaalsContact O-CG 3.28Å; R368-M372 WeakPolarHBondContact O-CG 3.27Å; R368-M372 PolarHBondContact O-N 3.48Å; R368-E421 IonicContact CZ-OE2 2.64Å; R368-E421 IonicContact NE-OE2 2.74Å; R368-E421 PolarHBondContact NE-OE2 2.82Å; R368-E421 VanDerWaalsContact NH2-CD 3.31Å; R368-E421 IonicContact NH2-OE1 3.63Å; R368-E421 PolarHBondContact NH2-OE1 3.31Å; R368-E421 IonicContact NH2-OE2 3.92Å; R368-E421 PolarHBondContact NH2-OE2 3.37Å
369E80.8Confident78.5Confident136 Ų13630.3 Ų30.364%0.63617%0.166SC*.Hα-helixtrans-62.7-42179-74.8-180170.500112P365 M372 S373P365-E369 PolarHBondContact O-N 3.4Å; E369-M372 PolarHBondContact O-N 2.98Å; E369-S373 WeakPolarHBondContact O-CB 3.08Å; E369-S373 PolarHBondContact O-N 3.12Å
370T81.2Confident78.6Confident9 Ų935.6 Ų35.66%0.05520%0.195CC..Hα-helixtrans-68-37177.145.10000112.6Q309 T325 S366 I367 R368 T374Q309-T370 HydrophobicContact CG-CG2 4.01Å; T325-T370 HydrophobicContact CG2-CG2 4.14Å; S366-T370 WeakPolarHBondContact O-CB 3.28Å; S366-T370 WeakPolarHBondContact O-CG2 3.47Å; S366-T370 PolarHBondContact O-N 3.03Å; S366-T370 PolarHBondContact O-OG1 3.12Å; I367-T370 WeakPolarHBondContact CA-OG1 3.37Å; I367-T370 PolarHBondContact O-N 3.27Å; I367-T370 PolarHBondContact O-OG1 3.45Å; R368-T370 PolarHBondContact O-N 2.98Å; T370-T374 WeakPolarHBondContact O-CB 3.26Å; T370-T374 PolarHBondContact O-N 3.28Å; T370-T374 PolarHBondContact O-OG1 2.96Å
371A82.8Confident78.4Confident0 Ų037.2 Ų37.20%021%0.207CC..Hα-helixtrans-64.9-45.7172.200000112.3A356 H359 M360 I367 R368 S373 T374 I375A356-A371 HydrophobicContact CB-CB 4.29Å; A356-A371 WeakPolarHBondContact O-CB 3.39Å; H359-A371 HydrophobicContact CB-CB 4.18Å; M360-A371 HydrophobicContact CG-CB 4.39Å; I367-A371 WeakPolarHBondContact O-CB 3.48Å; I367-A371 PolarHBondContact O-N 3.39Å; R368-A371 PolarHBondContact O-N 2.87Å; A371-S373 PolarHBondContact O-N 3.04Å; A371-T374 WeakPolarHBondContact CA-OG1 3.42Å; A371-T374 PolarHBondContact O-N 3.35Å; A371-T374 PolarHBondContact O-OG1 3.39Å; A371-I375 WeakPolarHBondContact O-CG1 3.04Å; A371-I375 PolarHBondContact O-N 2.71Å
372M84.3Confident78Confident24 Ų2436.4 Ų36.412%0.11820%0.202CC..Hα-helixtrans-65.8-39.1176.9-68.3173.5-162.500112M360 R368 E369 R376 E421 F425M360-M372 HydrophobicContact CG-CG 4.42Å; R368-M372 HydrophobicContact CB-CE 4.15Å; R368-M372 WeakPolarHBondContact O-CB 3.46Å; R368-M372 VanDerWaalsContact O-CG 3.28Å; R368-M372 WeakPolarHBondContact O-CG 3.27Å; R368-M372 PolarHBondContact O-N 3.48Å; E369-M372 PolarHBondContact O-N 2.98Å; M372-R376 WeakPolarHBondContact O-CG 3.07Å; M372-R376 PolarHBondContact O-N 3.39Å; M372-R376 VanDerWaalsContact O-N 3.15Å; M372-E421 HydrophobicContact CE-CB 4.48Å; M372-F425 HydrophobicContact CB-CD2 4.06Å; M372-F425 HydrophobicContact CB-CE2 3.71Å; M372-F425 HydrophobicContact CB-CZ 4.07Å; M372-F425 HydrophobicContact CE-CB 4.26Å; M372-F425 HydrophobicContact CG-CD1 4.28Å; M372-F425 HydrophobicContact CG-CD2 3.74Å; M372-F425 HydrophobicContact CG-CE1 4.41Å; M372-F425 HydrophobicContact CG-CE2 3.87Å; M372-F425 HydrophobicContact CG-CG 3.94Å; M372-F425 HydrophobicContact CG-CZ 4.22Å; M372-F425 HydrophobicContact SD-CB 4.24Å; M372-F425 HydrophobicContact SD-CD2 3.87Å; M372-F425 HydrophobicContact SD-CE2 4.48Å; M372-F425 HydrophobicContact SD-CG 4.15Å
373S83.1Confident77.7Confident53 Ų5346 Ų4637%0.37124%0.235SC..Hα-helixtrans-67.2-40.3177.1177.70000112.3E369 A371 R376 S377E369-S373 WeakPolarHBondContact O-CB 3.08Å; E369-S373 PolarHBondContact O-N 3.12Å; A371-S373 PolarHBondContact O-N 3.04Å; S373-R376 PolarHBondContact O-N 3.24Å; S373-S377 VanDerWaalsContact O-CB 3.26Å; S373-S377 WeakPolarHBondContact O-CB 3.49Å; S373-S377 PolarHBondContact O-N 2.97Å; S373-S377 PolarHBondContact O-OG 3.4Å
374T81.1Confident77.6Confident3 Ų346.2 Ų46.22%0.01823%0.233CC..Hα-helixtrans-62.3-45.9176.628.90000111.5F302 L328 M332 T370 A371 R376 S377 L378F302-T374 HydrophobicContact CD2-CG2 4.05Å; F302-T374 HydrophobicContact CE2-CG2 3.49Å; F302-T374 VanDerWaalsContact CE2-CG2 3.49Å; F302-T374 HydrophobicContact CZ-CG2 4.42Å; L328-T374 HydrophobicContact CD1-CG2 3.58Å; L328-T374 HydrophobicContact CD2-CG2 3.58Å; L328-T374 HydrophobicContact CG-CG2 3.94Å; M332-T374 HydrophobicContact CE-CG2 3.92Å; M332-T374 WeakPolarHBondContact CE-O 3.34Å; T370-T374 WeakPolarHBondContact O-CB 3.26Å; T370-T374 PolarHBondContact O-N 3.28Å; T370-T374 PolarHBondContact O-OG1 2.96Å; A371-T374 WeakPolarHBondContact CA-OG1 3.42Å; A371-T374 PolarHBondContact O-N 3.35Å; A371-T374 PolarHBondContact O-OG1 3.39Å; T374-R376 PolarHBondContact O-N 3.15Å; T374-S377 PolarHBondContact O-N 3.16Å; T374-L378 WeakPolarHBondContact O-CB 3.43Å; T374-L378 PolarHBondContact O-N 2.91Å
375I81.9Confident77.6Confident2 Ų248 Ų481%0.0125%0.248CC..Hα-helixtrans-60.7-45.6177.8-64.7168000110.9A356 M360 A371 S379 V386 F425A356-I375 HydrophobicContact CB-CD1 4.07Å; A356-I375 HydrophobicContact CB-CG1 4.07Å; M360-I375 HydrophobicContact SD-CD1 4.17Å; A371-I375 WeakPolarHBondContact O-CG1 3.04Å; A371-I375 PolarHBondContact O-N 2.71Å; I375-S379 WeakPolarHBondContact O-CB 3.39Å; I375-S379 PolarHBondContact O-N 3.01Å; I375-V386 HydrophobicContact CG2-CG1 3.86Å; I375-F425 HydrophobicContact CD1-CE1 4.42Å
376R84.2Confident77.4Confident115 Ų11545.5 Ų45.543%0.43423%0.231SC..Hα-helixtrans-62.5-43.8176.6-75.6-177.6-179.2136.2-0.6112.1M372 S373 T374 S379 N380 F425M372-R376 WeakPolarHBondContact O-CG 3.07Å; M372-R376 PolarHBondContact O-N 3.39Å; M372-R376 VanDerWaalsContact O-N 3.15Å; S373-R376 PolarHBondContact O-N 3.24Å; T374-R376 PolarHBondContact O-N 3.15Å; R376-S379 PolarHBondContact O-N 3.47Å; R376-N380 WeakPolarHBondContact O-CB 3.44Å; R376-N380 PolarHBondContact O-N 3.47Å; R376-N380 PolarHBondContact O-ND2 3.08Å; R376-F425 HydrophobicContact CG-CE2 4.41Å; R376-F425 HydrophobicContact CG-CZ 4.42Å
377S78.6Confident77.1Confident38 Ų3845.1 Ų45.127%0.26623%0.228SC..Hα-helixtrans-67.5-40.2-178.9-60.40000112.2S373 T374 S379 N380 S381S373-S377 VanDerWaalsContact O-CB 3.26Å; S373-S377 WeakPolarHBondContact O-CB 3.49Å; S373-S377 PolarHBondContact O-N 2.97Å; S373-S377 PolarHBondContact O-OG 3.4Å; T374-S377 PolarHBondContact O-N 3.16Å; S377-S379 VanDerWaalsContact C-N 3.35Å; S377-N380 PolarHBondContact O-N 3.23Å; S377-S381 WeakPolarHBondContact O-CB 3.32Å; S377-S381 PolarHBondContact O-N 2.8Å; S377-S381 PolarHBondContact O-OG 3.17Å
378L76.6Confident76.8Confident7 Ų747.4 Ų47.44%0.03724%0.244CC..Hα-helixtrans-62.6-41.5174-98.5154000111.3M332 V349 T374 S381 S382M332-L378 HydrophobicContact CE-CB 4.1Å; M332-L378 HydrophobicContact CE-CD1 3.85Å; M332-L378 HydrophobicContact CE-CG 3.53Å; M332-L378 HydrophobicContact SD-CD1 4.49Å; M332-L378 HydrophobicContact SD-CG 4.18Å; V349-L378 HydrophobicContact CG1-CD1 4.4Å; V349-L378 HydrophobicContact CG1-CD2 3.55Å; T374-L378 WeakPolarHBondContact O-CB 3.43Å; T374-L378 PolarHBondContact O-N 2.91Å; L378-S381 WeakPolarHBondContact CA-OG 3.49Å; L378-S381 PolarHBondContact O-N 3.05Å; L378-S381 PolarHBondContact O-OG 3.29Å; L378-S382 VanDerWaalsContact O-CB 3.28Å; L378-S382 WeakPolarHBondContact O-CB 3.35Å; L378-S382 PolarHBondContact O-N 2.89Å; L378-S382 PolarHBondContact O-OG 3.4Å
379S78.5Confident76.4Confident14 Ų1447.3 Ų47.310%0.09824%0.244CC..Hα-helixtrans-63.5-46.1175.3177.10000112.2I375 R376 S377 S381 R383 I384 V386I375-S379 WeakPolarHBondContact O-CB 3.39Å; I375-S379 PolarHBondContact O-N 3.01Å; R376-S379 PolarHBondContact O-N 3.47Å; S377-S379 VanDerWaalsContact C-N 3.35Å; S379-S381 VanDerWaalsContact C-N 3.3Å; S379-S381 PolarHBondContact O-N 2.71Å; S379-R383 PolarHBondContact O-N 3.47Å; S379-I384 WeakPolarHBondContact CA-O 3.5Å; S379-I384 WeakPolarHBondContact CB-O 3.38Å; S379-I384 PolarHBondContact OG-O 2.86Å; S379-V386 VanDerWaalsContact CB-CG2 3.45Å; S379-V386 WeakPolarHBondContact OG-CG2 3.29Å; S379-V386 PolarHBondContact OG-N 2.81Å
380N78.7Confident76.1Confident134 Ų13441 Ų4172%0.71722%0.215SC*.Hα-helixtrans-62.7-35.9178.8-71.6-18.1000112.6R376 S377R376-N380 WeakPolarHBondContact O-CB 3.44Å; R376-N380 PolarHBondContact O-N 3.47Å; R376-N380 PolarHBondContact O-ND2 3.08Å; S377-N380 PolarHBondContact O-N 3.23Å
381S71.1Confident75.7Confident35 Ų3544.2 Ų44.225%0.24523%0.232CC..Hα-helixtrans-84.6-36.3-177.143.20000113.6S377 L378 S379S377-S381 WeakPolarHBondContact O-CB 3.32Å; S377-S381 PolarHBondContact O-N 2.8Å; S377-S381 PolarHBondContact O-OG 3.17Å; L378-S381 WeakPolarHBondContact CA-OG 3.49Å; L378-S381 PolarHBondContact O-N 3.05Å; L378-S381 PolarHBondContact O-OG 3.29Å; S379-S381 VanDerWaalsContact C-N 3.3Å; S379-S381 PolarHBondContact O-N 2.71Å
382S66.8Low75.1Confident8 Ų847.4 Ų47.46%0.05626%0.257CS..Hα-helixtrans-82.9-10.1178.861.50000114.7L378 I384L378-S382 VanDerWaalsContact O-CB 3.28Å; L378-S382 WeakPolarHBondContact O-CB 3.35Å; L378-S382 PolarHBondContact O-N 2.89Å; L378-S382 PolarHBondContact O-OG 3.4Å; S382-I384 PolarHBondContact O-N 3.41Å; S382-I384 VanDerWaalsContact O-N 3.08Å; S382-I384 WeakPolarHBondContact OG-CB 3.43Å; S382-I384 PolarHBondContact OG-N 3.44Å
383R67.7Low74.5Confident226 Ų22647.1 Ų47.185%0.85326%0.256SS*.  trans60.23.3-166.9-57.6-177.1174.4-177.30.3114.8S379S379-R383 PolarHBondContact O-N 3.47Å
384I69.6Low74Confident33 Ų3349.7 Ų49.717%0.16926%0.258CS..  trans-81.7132.1175.7-59.5171.2000108.3S379 S382 S388 L389S379-I384 WeakPolarHBondContact CA-O 3.5Å; S379-I384 WeakPolarHBondContact CB-O 3.38Å; S379-I384 PolarHBondContact OG-O 2.86Å; S382-I384 PolarHBondContact O-N 3.41Å; S382-I384 VanDerWaalsContact O-N 3.08Å; S382-I384 WeakPolarHBondContact OG-CB 3.43Å; S382-I384 PolarHBondContact OG-N 3.44Å; I384-S388 WeakPolarHBondContact CG2-OG 3.36Å; I384-L389 HydrophobicContact CG2-CD1 4.5Å; I384-L389 HydrophobicContact CG2-CG 4.11Å
385S73.2Confident73.5Confident63 Ų6353.1 Ų53.144%0.44129%0.286SS..  trans-63.7145.4-179.780.10000111.5V387 S388 L389S385-V387 PolarHBondContact O-N 3.33Å; S385-V387 VanDerWaalsContact O-N 3.12Å; S385-S388 PolarHBondContact N-OG 2.9Å; S385-S388 VanDerWaalsContact N-OG 3.16Å; S385-S388 PolarHBondContact O-N 3.29Å; S385-S388 PolarHBondContact O-OG 3.03Å; S385-S388 PolarHBondContact OG-N 3.46Å; S385-S388 PolarHBondContact OG-OG 3.47Å; S385-L389 PolarHBondContact O-N 3.26Å
386V70.7Confident72.9Confident17 Ų1753.6 Ų53.610%0.10329%0.289CS..Hα-helixtrans-51.4-37.31761760000111.5I375 S379 L389 L390I375-V386 HydrophobicContact CG2-CG1 3.86Å; S379-V386 VanDerWaalsContact CB-CG2 3.45Å; S379-V386 WeakPolarHBondContact OG-CG2 3.29Å; S379-V386 PolarHBondContact OG-N 2.81Å; V386-L389 PolarHBondContact O-N 3.5Å; V386-L390 HydrophobicContact CG1-CD1 3.91Å; V386-L390 HydrophobicContact CG1-CG 4.4Å; V386-L390 WeakPolarHBondContact O-CG 3.29Å; V386-L390 PolarHBondContact O-N 3Å
387V68.8Low72.2Confident19 Ų1948.1 Ų48.112%0.11527%0.269CS..Hα-helixtrans-63.7-43.5179.2-177.60000111.6S385 L389 L390 L391 E429 Q431S385-V387 PolarHBondContact O-N 3.33Å; S385-V387 VanDerWaalsContact O-N 3.12Å; V387-L389 VanDerWaalsContact C-N 3.34Å; V387-L389 PolarHBondContact O-N 3.29Å; V387-L390 PolarHBondContact O-N 3.49Å; V387-L391 HydrophobicContact CG1-CD1 3.8Å; V387-L391 HydrophobicContact CG1-CG 4.3Å; V387-L391 VanDerWaalsContact O-CB 3.32Å; V387-L391 WeakPolarHBondContact O-CB 3.32Å; V387-L391 VanDerWaalsContact O-CG 3.27Å; V387-L391 WeakPolarHBondContact O-CG 3.42Å; V387-L391 PolarHBondContact O-N 3.4Å; V387-E429 HydrophobicContact CG2-CB 4.35Å; V387-Q431 HydrophobicContact CG1-CB 4.42Å
388S71.8Confident71.8Confident51 Ų5149.5 Ų49.536%0.35727%0.273SS..Hα-helixtrans-66.5-33.3176.532.80000113.1I384 S385 A392I384-S388 WeakPolarHBondContact CG2-OG 3.36Å; S385-S388 PolarHBondContact N-OG 2.9Å; S385-S388 VanDerWaalsContact N-OG 3.16Å; S385-S388 PolarHBondContact O-N 3.29Å; S385-S388 PolarHBondContact O-OG 3.03Å; S385-S388 PolarHBondContact OG-N 3.46Å; S385-S388 PolarHBondContact OG-OG 3.47Å; S388-A392 PolarHBondContact O-N 3.44Å
389L73.7Confident71.4Confident6 Ų655.1 Ų55.13%0.03130%0.299CS..Hα-helixtrans-68.5-43.3173.7-83.2157000111.9V353 I384 S385 V386 V387 A392V353-L389 HydrophobicContact CG2-CD2 3.86Å; I384-L389 HydrophobicContact CG2-CD1 4.5Å; I384-L389 HydrophobicContact CG2-CG 4.11Å; S385-L389 PolarHBondContact O-N 3.26Å; V386-L389 PolarHBondContact O-N 3.5Å; V387-L389 VanDerWaalsContact C-N 3.34Å; V387-L389 PolarHBondContact O-N 3.29Å; L389-A392 WeakPolarHBondContact O-CB 3.12Å; L389-A392 PolarHBondContact O-N 3.11Å
390L73.4Confident70.8Confident5 Ų556.4 Ų56.43%0.02630%0.304CS..Hα-helixtrans-69-37.3177.6-71.7170.1000112.5I357 V386 V387 A392 E393 I397 I433I357-L390 HydrophobicContact CD1-CD2 3.96Å; I357-L390 HydrophobicContact CG1-CD2 3.94Å; V386-L390 HydrophobicContact CG1-CD1 3.91Å; V386-L390 HydrophobicContact CG1-CG 4.4Å; V386-L390 WeakPolarHBondContact O-CG 3.29Å; V386-L390 PolarHBondContact O-N 3Å; V387-L390 PolarHBondContact O-N 3.49Å; L390-A392 VanDerWaalsContact C-N 3.26Å; L390-A392 PolarHBondContact O-N 3.1Å; L390-E393 PolarHBondContact O-N 2.87Å; L390-I397 HydrophobicContact CB-CD1 4.18Å; L390-I397 HydrophobicContact CD2-CD1 4.17Å; L390-I433 HydrophobicContact CB-CD1 3.95Å; L390-I433 HydrophobicContact CD1-CD1 3.91Å
391L72.6Confident70.1Confident76 Ų7650 Ų5040%0.39827%0.27SS..Hα-helixtrans-66.2-27.5178.1-80.1169.9000113V387 E393 R394V387-L391 HydrophobicContact CG1-CD1 3.8Å; V387-L391 HydrophobicContact CG1-CG 4.3Å; V387-L391 VanDerWaalsContact O-CB 3.32Å; V387-L391 WeakPolarHBondContact O-CB 3.32Å; V387-L391 VanDerWaalsContact O-CG 3.27Å; V387-L391 WeakPolarHBondContact O-CG 3.42Å; V387-L391 PolarHBondContact O-N 3.4Å; L391-E393 PolarHBondContact O-N 3.44Å; L391-R394 PolarHBondContact O-N 3.26Å
392A70.4Confident69.2Low66 Ų6654 Ų5455%0.54529%0.285SS..THydrogen-bonded Turntrans-61.2-27.9176.100000112.7S388 L389 L390S388-A392 PolarHBondContact O-N 3.44Å; L389-A392 WeakPolarHBondContact O-CB 3.12Å; L389-A392 PolarHBondContact O-N 3.11Å; L390-A392 VanDerWaalsContact C-N 3.26Å; L390-A392 PolarHBondContact O-N 3.1Å
393E72.4Confident68.4Low19 Ų1956.2 Ų56.29%0.08930%0.298CS..THydrogen-bonded Turntrans-121.238.2-178.2-71.7-67.3163.100112.5R354 I357 L390 L391 A395 V396R354-E393 HydrophobicContact CB-CG 4.16Å; R354-E393 WeakPolarHBondContact CD-OE2 3.33Å; R354-E393 HydrophobicContact CG-CB 4.5Å; R354-E393 HydrophobicContact CG-CG 4.02Å; R354-E393 WeakPolarHBondContact CG-OE2 3.43Å; R354-E393 IonicContact CZ-OE1 3.45Å; R354-E393 IonicContact CZ-OE2 3.16Å; R354-E393 VanDerWaalsContact CZ-OE2 3.31Å; R354-E393 IonicContact NE-OE1 3.33Å; R354-E393 PolarHBondContact NE-OE1 2.76Å; R354-E393 IonicContact NE-OE2 3.66Å; R354-E393 PolarHBondContact NE-OE2 3.2Å; R354-E393 VanDerWaalsContact NH1-CD 3.25Å; R354-E393 IonicContact NH1-OE1 2.69Å; R354-E393 PolarHBondContact NH1-OE1 3.34Å; R354-E393 IonicContact NH1-OE2 2.69Å; R354-E393 PolarHBondContact NH1-OE2 3.4Å; R354-E393 IonicContact NH2-OE1 3.35Å; R354-E393 PolarHBondContact NH2-OE1 2.79Å; R354-E393 VanDerWaalsContact NH2-OE1 3.09Å; I357-E393 HydrophobicContact CD1-CB 4.01Å; L390-E393 PolarHBondContact O-N 2.87Å; L391-E393 PolarHBondContact O-N 3.44Å; E393-A395 VanDerWaalsContact C-N 3.26Å; E393-A395 PolarHBondContact O-N 3.5Å; E393-V396 PolarHBondContact O-N 3.13Å
394R71.8Confident67.2Low107 Ų10746.9 Ų46.940%0.40427%0.267SS..Hα-helixtrans-56.1-35.5-177.3-173.3171.7-179.9138.78114.2L391 V396 I397 D398 I433L391-R394 PolarHBondContact O-N 3.26Å; R394-V396 VanDerWaalsContact C-N 3.28Å; R394-V396 PolarHBondContact O-N 2.91Å; R394-I397 WeakPolarHBondContact O-CB 3.45Å; R394-I397 PolarHBondContact O-N 3.41Å; R394-D398 PolarHBondContact O-N 3.29Å; R394-I433 PolarHBondContact NH2-O 3.2Å
395A70.6Confident66.1Low75 Ų7549.8 Ų49.862%0.6229%0.29SS*.Hα-helixtrans-58.8-37.4-179.600000113.1E393 D398 E399E393-A395 VanDerWaalsContact C-N 3.26Å; E393-A395 PolarHBondContact O-N 3.5Å; A395-D398 PolarHBondContact O-N 3.09Å; A395-E399 PolarHBondContact O-N 3.27Å; A395-E399 VanDerWaalsContact O-N 3.09Å
396V69.8Low65Low12 Ų1249.5 Ų49.57%0.07329%0.287CS..Hα-helixtrans-74.1-35-179.91800000111.2R354 I357 R358 E393 R394 E399 I400R354-V396 HydrophobicContact CG-CB 4.5Å; R354-V396 HydrophobicContact CG-CG2 3.72Å; I357-V396 HydrophobicContact CG2-CG1 4.3Å; R358-V396 HydrophobicContact CG-CG1 4.18Å; E393-V396 PolarHBondContact O-N 3.13Å; R394-V396 VanDerWaalsContact C-N 3.28Å; R394-V396 PolarHBondContact O-N 2.91Å; V396-E399 PolarHBondContact O-N 2.91Å; V396-I400 HydrophobicContact CG1-CD1 3.75Å; V396-I400 HydrophobicContact CG1-CG1 4.47Å; V396-I400 WeakPolarHBondContact O-CD1 3.38Å; V396-I400 VanDerWaalsContact O-CG1 3.27Å; V396-I400 WeakPolarHBondContact O-CG1 3.41Å; V396-I400 PolarHBondContact O-N 3.47Å; V396-I400 VanDerWaalsContact O-N 3.11Å
397I70.1Confident64.3Low0 Ų056.7 Ų56.70%031%0.312CS..Hα-helixtrans-63.9-45.2174.7-66.1173.5000110I357 L390 R394 E399 I400 F401 I426 F434I357-I397 HydrophobicContact CD1-CD1 4.21Å; I357-I397 HydrophobicContact CD1-CG1 4.15Å; I357-I397 HydrophobicContact CG2-CG1 3.77Å; L390-I397 HydrophobicContact CB-CD1 4.18Å; L390-I397 HydrophobicContact CD2-CD1 4.17Å; R394-I397 WeakPolarHBondContact O-CB 3.45Å; R394-I397 PolarHBondContact O-N 3.41Å; I397-E399 VanDerWaalsContact C-N 3.33Å; I397-E399 PolarHBondContact O-N 3.05Å; I397-I400 PolarHBondContact O-N 3.29Å; I397-F401 HydrophobicContact CG2-CD2 4.38Å; I397-F401 WeakPolarHBondContact O-CB 3.36Å; I397-F401 PolarHBondContact O-N 3.43Å; I397-I426 HydrophobicContact CG2-CD1 4.39Å; I397-F434 HydrophobicContact CG2-CE1 4.16Å; I397-F434 HydrophobicContact CG2-CE2 3.92Å; I397-F434 HydrophobicContact CG2-CZ 3.32Å
398D70.1Confident63.9Low66 Ų6656.3 Ų56.335%0.35331%0.31SS..Hα-helixtrans-62.6-39.7177.9-68.9-26.4000111.2R394 A395 E402R394-D398 PolarHBondContact O-N 3.29Å; A395-D398 PolarHBondContact O-N 3.09Å; D398-E402 WeakPolarHBondContact O-CG 3.28Å; D398-E402 PolarHBondContact O-N 3.4Å
399E68.1Low63.2Low126 Ų12657.5 Ų57.559%0.58931%0.312SS*.Hα-helixtrans-66-36.7177.5-162.2-176.6-149.200113.5A395 V396 I397A395-E399 PolarHBondContact O-N 3.27Å; A395-E399 VanDerWaalsContact O-N 3.09Å; V396-E399 PolarHBondContact O-N 2.91Å; I397-E399 VanDerWaalsContact C-N 3.33Å; I397-E399 PolarHBondContact O-N 3.05Å
400I65.8Low62.5Low40 Ų4060.7 Ų60.721%0.20533%0.329CS..Hα-helixtrans-83.5-38-176.6-65.7166000112.3I357 R358 V361 V396 I397I357-I400 HydrophobicContact CG2-CD1 4.09Å; R358-I400 HydrophobicContact CB-CD1 4.43Å; R358-I400 HydrophobicContact CG-CD1 3.8Å; V361-I400 HydrophobicContact CB-CG2 4.37Å; V361-I400 HydrophobicContact CG2-CG2 3.59Å; V396-I400 HydrophobicContact CG1-CD1 3.75Å; V396-I400 HydrophobicContact CG1-CG1 4.47Å; V396-I400 WeakPolarHBondContact O-CD1 3.38Å; V396-I400 VanDerWaalsContact O-CG1 3.27Å; V396-I400 WeakPolarHBondContact O-CG1 3.41Å; V396-I400 PolarHBondContact O-N 3.47Å; V396-I400 VanDerWaalsContact O-N 3.11Å; I397-I400 PolarHBondContact O-N 3.29Å
401F63.7Low62Low1 Ų163.8 Ų63.80%0.00434%0.342CS..Hα-helixtrans-1086.7-168.8-73.4-77.7000115V361 I397 V403 Y419 L423 I426 F434V361-F401 HydrophobicContact CG2-CE1 3.91Å; V361-F401 HydrophobicContact CG2-CE2 3.9Å; V361-F401 HydrophobicContact CG2-CZ 3.34Å; I397-F401 HydrophobicContact CG2-CD2 4.38Å; I397-F401 WeakPolarHBondContact O-CB 3.36Å; I397-F401 PolarHBondContact O-N 3.43Å; F401-V403 VanDerWaalsContact O-CG2 3.23Å; F401-V403 WeakPolarHBondContact O-CG2 3.45Å; F401-V403 PolarHBondContact O-N 3.38Å; F401-Y419 HydrophobicContact CD1-CD2 4.09Å; F401-Y419 HydrophobicContact CD1-CE1 4.49Å; F401-Y419 AromaticContact CD1-CE2 3.56Å; F401-Y419 HydrophobicContact CD1-CE2 3.56Å; F401-Y419 AromaticContact CD1-CZ 3.78Å; F401-Y419 HydrophobicContact CE1-CD2 4.03Å; F401-Y419 AromaticContact CE1-CE2 3.99Å; F401-Y419 HydrophobicContact CE1-CE2 3.99Å; F401-Y419 HydrophobicContact CG-CE2 4.45Å; F401-Y419 PolarHBondContact O-OH 3.31Å; F401-L423 HydrophobicContact CD1-CD1 3.92Å; F401-L423 HydrophobicContact CD1-CG 3.91Å; F401-L423 HydrophobicContact CE1-CB 4.38Å; F401-L423 HydrophobicContact CE1-CD1 4.23Å; F401-L423 HydrophobicContact CE1-CG 4.05Å; F401-I426 HydrophobicContact CD2-CD1 3.87Å; F401-I426 HydrophobicContact CE2-CD1 3.48Å; F401-I426 VanDerWaalsContact CE2-CD1 3.48Å; F401-I426 HydrophobicContact CZ-CD1 3.95Å; F401-F434 HydrophobicContact CB-CZ 4.14Å
402E52.7Low61.6Low117 Ų11762.5 Ų62.555%0.54734%0.339SS..  trans-22.3100.1-179.8-73.5-168.3160.200114.2D398D398-E402 WeakPolarHBondContact O-CG 3.28Å; D398-E402 PolarHBondContact O-N 3.4Å
403V48.5Very low61.5Low55 Ų5560.7 Ų60.733%0.33332%0.322SS..THydrogen-bonded Turntrans-93.6125177.9-177.10000107.8F401 F436 V442F401-V403 VanDerWaalsContact O-CG2 3.23Å; F401-V403 WeakPolarHBondContact O-CG2 3.45Å; F401-V403 PolarHBondContact O-N 3.38Å; V403-F436 HydrophobicContact CG1-CE1 4.23Å; V403-F436 HydrophobicContact CG2-CE1 4.38Å; V403-V442 HydrophobicContact CG1-CG2 3.91Å
404P44.1Very low61.4Low30 Ų3061.6 Ų61.620%0.19533%0.329CS..THydrogen-bonded Turncis-130.3109.7-10.416.311.2000112.7E441 V442P404-E441 HydrophobicContact CB-CB 4.09Å; P404-E441 HydrophobicContact CG-CB 3.51Å; P404-V442 HydrophobicContact CG-CG2 3.69Å
405S46.2Very low61.4Low95 Ų9557.2 Ų57.266%0.66432%0.316SS*.THydrogen-bonded Turntrans-138.4-8.5163.667.40000114R407S405-R407 PolarHBondContact O-N 2.99Å
406C50.6Low61.7Low56 Ų5654.5 Ų54.538%0.37829%0.29SS..  trans-73.3116-173.6-91.50000112.9I408C406-I408 VanDerWaalsContact C-N 3.3Å; C406-I408 PolarHBondContact O-N 3.5Å
407R55.2Low62Low168 Ų16854.4 Ų54.463%0.63429%0.289SS*.  trans-6585.3164.8-66.7178.5175.9-174.50.3109.5S405 D409 L410S405-R407 PolarHBondContact O-N 2.99Å; R407-D409 PolarHBondContact O-N 3.33Å; R407-L410 HydrophobicContact CB-CB 4.4Å; R407-L410 HydrophobicContact CB-CD1 3.81Å; R407-L410 HydrophobicContact CB-CG 3.78Å; R407-L410 HydrophobicContact CG-CD1 4.31Å; R407-L410 WeakPolarHBondContact O-CB 3.29Å; R407-L410 PolarHBondContact O-N 3.37Å
408I61Low62.3Low11 Ų1154.4 Ų54.46%0.05629%0.289CS..G310 helixtrans-46.6-35.6171.4-85.5-179.9000111.3C406 L410 K411 Q416 Y419 F445 I449C406-I408 VanDerWaalsContact C-N 3.3Å; C406-I408 PolarHBondContact O-N 3.5Å; I408-L410 PolarHBondContact O-N 3.24Å; I408-L410 VanDerWaalsContact O-N 3.09Å; I408-K411 WeakPolarHBondContact O-CB 3.29Å; I408-K411 PolarHBondContact O-N 2.71Å; I408-Q416 HydrophobicContact CG2-CG 3.9Å; I408-Q416 PolarHBondContact O-NE2 3.39Å; I408-Y419 HydrophobicContact CD1-CD1 4.17Å; I408-Y419 HydrophobicContact CD1-CE1 4.28Å; I408-F445 HydrophobicContact CD1-CD2 4.23Å; I408-F445 HydrophobicContact CD1-CE2 3.28Å; I408-F445 HydrophobicContact CD1-CZ 3.74Å; I408-F445 HydrophobicContact CG1-CE2 4.09Å; I408-I449 HydrophobicContact CD1-CG1 4.49Å
409D57.6Low62.8Low77 Ų7751.4 Ų51.441%0.41227%0.273SS..G310 helixtrans-58.1-22.1179.5-41.5-39.8000113.9R407 R448R407-D409 PolarHBondContact O-N 3.33Å; D409-R448 IonicContact OD2-CZ 3.23Å; D409-R448 IonicContact OD2-NH1 3.67Å; D409-R448 PolarHBondContact OD2-NH1 3.41Å
410L58Low63.3Low72 Ų7245.6 Ų45.638%0.37725%0.246SC..G310 helixtrans-86.7-16.5176.6-63.5-178.9000113.2R407 I408 P2180 V2181R407-L410 HydrophobicContact CB-CB 4.4Å; R407-L410 HydrophobicContact CB-CD1 3.81Å; R407-L410 HydrophobicContact CB-CG 3.78Å; R407-L410 HydrophobicContact CG-CD1 4.31Å; R407-L410 WeakPolarHBondContact O-CB 3.29Å; R407-L410 PolarHBondContact O-N 3.37Å; I408-L410 PolarHBondContact O-N 3.24Å; I408-L410 VanDerWaalsContact O-N 3.09Å; L410-P2180 HydrophobicContact CD1-CB 4.4Å; L410-P2180 HydrophobicContact CD1-CG 4.45Å; L410-P2180 HydrophobicContact CD2-CG 3.7Å; L410-V2181 WeakPolarHBondContact O-CG2 3.44Å
411K62.2Low64.1Low70 Ų7046.8 Ų46.830%0.30425%0.251SS..SBendtrans-82148177.1-66.1-169.8177.4-172.90110.3I408 A415 Q416I408-K411 WeakPolarHBondContact O-CB 3.29Å; I408-K411 PolarHBondContact O-N 2.71Å; K411-A415 HydrophobicContact CB-CB 4.05Å; K411-Q416 HydrophobicContact CB-CG 3.95Å; K411-Q416 PolarHBondContact O-NE2 3.14Å
412S64.8Low64.8Low49 Ų4946.8 Ų46.834%0.34325%0.25SS..  trans-62.9153.5173.868.70000111.2P414 A415 Q416S412-P414 VanDerWaalsContact C-CD 3.47Å; S412-P414 VanDerWaalsContact C-N 3.34Å; S412-A415 CarbonylContact O-C 3.46Å; S412-A415 WeakPolarHBondContact O-CA 3.43Å; S412-A415 WeakPolarHBondContact O-CB 3.35Å; S412-A415 PolarHBondContact O-N 3.11Å; S412-A415 WeakPolarHBondContact OG-CB 3.36Å; S412-A415 PolarHBondContact OG-N 3.28Å; S412-Q416 WeakPolarHBondContact O-CG 3.14Å; S412-Q416 PolarHBondContact O-N 3.44Å
413V68.7Low66Low29 Ų2941.3 Ų41.318%0.17623%0.225CC..Hα-helixtrans-52.1-44-179.3-178.30000112.9A415 Q416 I417 L488 L492V413-A415 PolarHBondContact O-N 2.95Å; V413-Q416 PolarHBondContact O-N 2.89Å; V413-I417 HydrophobicContact CG1-CD1 4.25Å; V413-I417 WeakPolarHBondContact O-CG1 3.19Å; V413-I417 PolarHBondContact O-N 3.26Å; V413-L488 HydrophobicContact CG1-CB 4.03Å; V413-L488 HydrophobicContact CG1-CD2 4.09Å; V413-L492 HydrophobicContact CG1-CB 4.19Å; V413-L492 HydrophobicContact CG1-CD1 4.41Å; V413-L492 HydrophobicContact CG1-CD2 4.4Å
414P70.9Confident67.4Low38 Ų3839.1 Ų39.125%0.24721%0.212CC..Hα-helixtrans-62.2-38.8173.9-20.531.7000113.4C363 S412 I417 A418 L488C363-P414 HydrophobicContact CB-CB 4.02Å; S412-P414 VanDerWaalsContact C-CD 3.47Å; S412-P414 VanDerWaalsContact C-N 3.34Å; P414-I417 PolarHBondContact O-N 3.03Å; P414-A418 WeakPolarHBondContact O-CB 3.2Å; P414-A418 PolarHBondContact O-N 2.95Å; P414-L488 HydrophobicContact CB-CD2 4.47Å; P414-L488 HydrophobicContact CG-CD2 3.91Å
415A71.2Confident69.1Low14 Ų1438.4 Ų38.412%0.11621%0.205CC..Hα-helixtrans-68.8-34.3176.900000112K411 S412 V413 A418 Y419K411-A415 HydrophobicContact CB-CB 4.05Å; S412-A415 CarbonylContact O-C 3.46Å; S412-A415 WeakPolarHBondContact O-CA 3.43Å; S412-A415 WeakPolarHBondContact O-CB 3.35Å; S412-A415 PolarHBondContact O-N 3.11Å; S412-A415 WeakPolarHBondContact OG-CB 3.36Å; S412-A415 PolarHBondContact OG-N 3.28Å; V413-A415 PolarHBondContact O-N 2.95Å; A415-A418 PolarHBondContact O-N 2.93Å; A415-Y419 VanDerWaalsContact O-CB 3.31Å; A415-Y419 WeakPolarHBondContact O-CB 3.48Å; A415-Y419 PolarHBondContact O-N 3.11Å
416Q75.8Confident70.5Confident18 Ų1834.2 Ų34.28%0.08418%0.176CC..Hα-helixtrans-66.4-43.8173.1-63.5179.78.700111.2I408 K411 S412 V413 Y419 L420 L492I408-Q416 HydrophobicContact CG2-CG 3.9Å; I408-Q416 PolarHBondContact O-NE2 3.39Å; K411-Q416 HydrophobicContact CB-CG 3.95Å; K411-Q416 PolarHBondContact O-NE2 3.14Å; S412-Q416 WeakPolarHBondContact O-CG 3.14Å; S412-Q416 PolarHBondContact O-N 3.44Å; V413-Q416 PolarHBondContact O-N 2.89Å; Q416-Y419 PolarHBondContact O-N 3.09Å; Q416-L420 VanDerWaalsContact O-CG 3.32Å; Q416-L420 WeakPolarHBondContact O-CG 3.5Å; Q416-L420 PolarHBondContact O-N 3.21Å; Q416-L492 HydrophobicContact CB-CD1 3.42Å; Q416-L492 VanDerWaalsContact CB-CD1 3.42Å
417I77.5Confident71.5Confident10 Ų1032.1 Ų32.15%0.05116%0.162CC..Hα-helixtrans-58.1-49.7173.3-68.2164.6000110.4V413 P414 Y419 L420 E421 L488 N491 L492 A495V413-I417 HydrophobicContact CG1-CD1 4.25Å; V413-I417 WeakPolarHBondContact O-CG1 3.19Å; V413-I417 PolarHBondContact O-N 3.26Å; P414-I417 PolarHBondContact O-N 3.03Å; I417-Y419 VanDerWaalsContact C-N 3.32Å; I417-Y419 PolarHBondContact O-N 3.01Å; I417-L420 PolarHBondContact O-N 2.74Å; I417-E421 HydrophobicContact CG2-CG 4.35Å; I417-E421 PolarHBondContact O-N 3.49Å; I417-L488 HydrophobicContact CD1-CD2 3.73Å; I417-N491 HydrophobicContact CD1-CB 4.01Å; I417-L492 HydrophobicContact CD1-CB 4.3Å; I417-L492 HydrophobicContact CG1-CB 3.91Å; I417-L492 HydrophobicContact CG1-CD1 3.72Å; I417-L492 HydrophobicContact CG1-CG 4.45Å; I417-A495 HydrophobicContact CG2-CB 4.24Å
418A75.9Confident72.2Confident0 Ų029.5 Ų29.50%016%0.157CC..Hα-helixtrans-59.5-42.8-179.400000112.5V361 S362 P414 A415 G422V361-A418 WeakPolarHBondContact O-CB 3.42Å; S362-A418 WeakPolarHBondContact O-CB 3.48Å; P414-A418 WeakPolarHBondContact O-CB 3.2Å; P414-A418 PolarHBondContact O-N 2.95Å; A415-A418 PolarHBondContact O-N 2.93Å; A418-G422 PolarHBondContact O-N 3.2Å
419Y79.7Confident71.9Confident4 Ų433.5 Ų33.52%0.01618%0.175CC..Hα-helixtrans-61.8-45.4175.9-170.4-95.7000111.6V361 F401 I408 A415 Q416 I417 L423 F445V361-Y419 HydrophobicContact CG1-CD2 4.03Å; F401-Y419 HydrophobicContact CD1-CD2 4.09Å; F401-Y419 HydrophobicContact CD1-CE1 4.49Å; F401-Y419 AromaticContact CD1-CE2 3.56Å; F401-Y419 HydrophobicContact CD1-CE2 3.56Å; F401-Y419 AromaticContact CD1-CZ 3.78Å; F401-Y419 HydrophobicContact CE1-CD2 4.03Å; F401-Y419 AromaticContact CE1-CE2 3.99Å; F401-Y419 HydrophobicContact CE1-CE2 3.99Å; F401-Y419 HydrophobicContact CG-CE2 4.45Å; F401-Y419 PolarHBondContact O-OH 3.31Å; I408-Y419 HydrophobicContact CD1-CD1 4.17Å; I408-Y419 HydrophobicContact CD1-CE1 4.28Å; A415-Y419 VanDerWaalsContact O-CB 3.31Å; A415-Y419 WeakPolarHBondContact O-CB 3.48Å; A415-Y419 PolarHBondContact O-N 3.11Å; Q416-Y419 PolarHBondContact O-N 3.09Å; I417-Y419 VanDerWaalsContact C-N 3.32Å; I417-Y419 PolarHBondContact O-N 3.01Å; Y419-L423 HydrophobicContact CD1-CD1 3.83Å; Y419-L423 HydrophobicContact CE1-CD1 3.3Å; Y419-L423 WeakPolarHBondContact O-CB 3.44Å; Y419-L423 PolarHBondContact O-N 3.12Å; Y419-F445 HydrophobicContact CE1-CE2 4.39Å; Y419-F445 HydrophobicContact CE1-CZ 4.09Å
420L80.2Confident71.6Confident3 Ų341.4 Ų41.42%0.01620%0.199CC..Hα-helixtrans-67.1-44.1179.5-70.4167.2000112.4Q416 I417 L423 T424 I449 L492 A495 A496 A499Q416-L420 VanDerWaalsContact O-CG 3.32Å; Q416-L420 WeakPolarHBondContact O-CG 3.5Å; Q416-L420 PolarHBondContact O-N 3.21Å; I417-L420 PolarHBondContact O-N 2.74Å; L420-L423 PolarHBondContact O-N 3.45Å; L420-T424 WeakPolarHBondContact O-CB 3.43Å; L420-T424 PolarHBondContact O-N 3.03Å; L420-T424 PolarHBondContact O-OG1 3.17Å; L420-I449 HydrophobicContact CD2-CD1 3.83Å; L420-I449 HydrophobicContact CD2-CG1 4.38Å; L420-I449 HydrophobicContact CD2-CG2 4.48Å; L420-L492 HydrophobicContact CD1-CD1 4.2Å; L420-A495 HydrophobicContact CB-CB 4.08Å; L420-A495 HydrophobicContact CD1-CB 4.46Å; L420-A496 HydrophobicContact CD1-CB 3.97Å; L420-A499 HydrophobicContact CB-CB 4.35Å; L420-A499 HydrophobicContact CD2-CB 3.91Å
421E80.9Confident71.1Confident66 Ų6644.1 Ų44.131%0.30821%0.21SC..Hα-helixtrans-65.6-41.5176.6-76.6-178.5-169.900112.2R368 M372 I417 L423 T424 F425 A495R368-E421 IonicContact CZ-OE2 2.64Å; R368-E421 IonicContact NE-OE2 2.74Å; R368-E421 PolarHBondContact NE-OE2 2.82Å; R368-E421 VanDerWaalsContact NH2-CD 3.31Å; R368-E421 IonicContact NH2-OE1 3.63Å; R368-E421 PolarHBondContact NH2-OE1 3.31Å; R368-E421 IonicContact NH2-OE2 3.92Å; R368-E421 PolarHBondContact NH2-OE2 3.37Å; M372-E421 HydrophobicContact CE-CB 4.48Å; I417-E421 HydrophobicContact CG2-CG 4.35Å; I417-E421 PolarHBondContact O-N 3.49Å; E421-L423 VanDerWaalsContact C-N 3.34Å; E421-L423 PolarHBondContact O-N 3.47Å; E421-T424 WeakPolarHBondContact O-CB 3.32Å; E421-T424 PolarHBondContact O-N 3.48Å; E421-T424 VanDerWaalsContact O-N 3.16Å; E421-F425 PolarHBondContact O-N 2.72Å; E421-A495 HydrophobicContact CG-CB 4.17Å
422G78.6Confident70.4Confident0 Ų044.9 Ų44.90%022%0.222CC..Hα-helixtrans-58.8-45.7174.300000111.8M360 A418 T424 F425 I426M360-G422 WeakPolarHBondContact CE-O 3.4Å; A418-G422 PolarHBondContact O-N 3.2Å; G422-T424 VanDerWaalsContact C-N 3.34Å; G422-T424 PolarHBondContact O-N 3.16Å; G422-F425 PolarHBondContact O-N 3.48Å; G422-I426 WeakPolarHBondContact O-CG1 3.09Å; G422-I426 PolarHBondContact O-N 3.16Å
423L78Confident69.9Low3 Ų343 Ų432%0.01621%0.208CC..Hα-helixtrans-60.7-41.6173.4-113.8147.2000112.2F401 Y419 L420 E421 I426 C427 F436 F445F401-L423 HydrophobicContact CD1-CD1 3.92Å; F401-L423 HydrophobicContact CD1-CG 3.91Å; F401-L423 HydrophobicContact CE1-CB 4.38Å; F401-L423 HydrophobicContact CE1-CD1 4.23Å; F401-L423 HydrophobicContact CE1-CG 4.05Å; Y419-L423 HydrophobicContact CD1-CD1 3.83Å; Y419-L423 HydrophobicContact CE1-CD1 3.3Å; Y419-L423 WeakPolarHBondContact O-CB 3.44Å; Y419-L423 PolarHBondContact O-N 3.12Å; L420-L423 PolarHBondContact O-N 3.45Å; E421-L423 VanDerWaalsContact C-N 3.34Å; E421-L423 PolarHBondContact O-N 3.47Å; L423-I426 PolarHBondContact O-N 3.43Å; L423-C427 WeakPolarHBondContact O-CB 3.42Å; L423-C427 PolarHBondContact O-N 3.42Å; L423-C427 VanDerWaalsContact O-N 3.12Å; L423-C427 PolarHBondContact O-SG 3.39Å; L423-F436 HydrophobicContact CD2-CZ 4.15Å; L423-F445 HydrophobicContact CD1-CZ 4.5Å
424T79Confident69.3Low9 Ų943 Ų436%0.05521%0.206CC..Hα-helixtrans-61.6-45.7179.4-48.80000110.8L420 E421 G422 I426 C427 E428 K498 A499 T502L420-T424 WeakPolarHBondContact O-CB 3.43Å; L420-T424 PolarHBondContact O-N 3.03Å; L420-T424 PolarHBondContact O-OG1 3.17Å; E421-T424 WeakPolarHBondContact O-CB 3.32Å; E421-T424 PolarHBondContact O-N 3.48Å; E421-T424 VanDerWaalsContact O-N 3.16Å; G422-T424 VanDerWaalsContact C-N 3.34Å; G422-T424 PolarHBondContact O-N 3.16Å; T424-I426 PolarHBondContact O-N 3.2Å; T424-C427 PolarHBondContact O-N 3.29Å; T424-E428 HydrophobicContact CG2-CG 4.46Å; T424-E428 WeakPolarHBondContact O-CG 3.4Å; T424-E428 PolarHBondContact O-N 3.39Å; T424-K498 HydrophobicContact CG2-CB 3.97Å; T424-A499 WeakPolarHBondContact OG1-CA 3.34Å; T424-T502 HydrophobicContact CG2-CG2 3.73Å
425F79.4Confident68.4Low14 Ų1446.9 Ų46.96%0.06123%0.234CC..Hα-helixtrans-62.9-40.6-180180-96.3000112.8M360 M372 I375 R376 E421 G422 C427M360-F425 HydrophobicContact CE-CB 4.21Å; M360-F425 HydrophobicContact CE-CD1 3.72Å; M360-F425 HydrophobicContact CE-CG 4.35Å; M360-F425 HydrophobicContact SD-CD1 3.89Å; M360-F425 HydrophobicContact SD-CE1 4.2Å; M372-F425 HydrophobicContact CB-CD2 4.06Å; M372-F425 HydrophobicContact CB-CE2 3.71Å; M372-F425 HydrophobicContact CB-CZ 4.07Å; M372-F425 HydrophobicContact CE-CB 4.26Å; M372-F425 HydrophobicContact CG-CD1 4.28Å; M372-F425 HydrophobicContact CG-CD2 3.74Å; M372-F425 HydrophobicContact CG-CE1 4.41Å; M372-F425 HydrophobicContact CG-CE2 3.87Å; M372-F425 HydrophobicContact CG-CG 3.94Å; M372-F425 HydrophobicContact CG-CZ 4.22Å; M372-F425 HydrophobicContact SD-CB 4.24Å; M372-F425 HydrophobicContact SD-CD2 3.87Å; M372-F425 HydrophobicContact SD-CE2 4.48Å; M372-F425 HydrophobicContact SD-CG 4.15Å; I375-F425 HydrophobicContact CD1-CE1 4.42Å; R376-F425 HydrophobicContact CG-CE2 4.41Å; R376-F425 HydrophobicContact CG-CZ 4.42Å; E421-F425 PolarHBondContact O-N 2.72Å; G422-F425 PolarHBondContact O-N 3.48Å; F425-C427 VanDerWaalsContact C-N 3.3Å; F425-C427 PolarHBondContact O-N 3.18Å
426I75.6Confident67.7Low7 Ų747.4 Ų47.44%0.03623%0.233CC..Hα-helixtrans-67.2-35.1177.7-59.8169.7000110.7M360 I397 F401 G422 L423 T424 I433 F434M360-I426 HydrophobicContact CE-CD1 3.94Å; M360-I426 HydrophobicContact CE-CG1 3.71Å; I397-I426 HydrophobicContact CG2-CD1 4.39Å; F401-I426 HydrophobicContact CD2-CD1 3.87Å; F401-I426 HydrophobicContact CE2-CD1 3.48Å; F401-I426 VanDerWaalsContact CE2-CD1 3.48Å; F401-I426 HydrophobicContact CZ-CD1 3.95Å; G422-I426 WeakPolarHBondContact O-CG1 3.09Å; G422-I426 PolarHBondContact O-N 3.16Å; L423-I426 PolarHBondContact O-N 3.43Å; T424-I426 PolarHBondContact O-N 3.2Å; I426-I433 HydrophobicContact CG2-CB 4.38Å; I426-I433 HydrophobicContact CG2-CD1 3.72Å; I426-F434 HydrophobicContact CG2-CD2 4.23Å; I426-F434 HydrophobicContact CG2-CE2 3.89Å
427C71.3Confident66.7Low13 Ų1348.6 Ų48.69%0.08825%0.251CS..Hα-helixtrans-86.4-15.5-176.7-68.10000115L423 T424 F425 F506L423-C427 WeakPolarHBondContact O-CB 3.42Å; L423-C427 PolarHBondContact O-N 3.42Å; L423-C427 VanDerWaalsContact O-N 3.12Å; L423-C427 PolarHBondContact O-SG 3.39Å; T424-C427 PolarHBondContact O-N 3.29Å; F425-C427 VanDerWaalsContact C-N 3.3Å; F425-C427 PolarHBondContact O-N 3.18Å; C427-F506 HydrophobicContact CB-CE2 4.46Å
428E69Low65.6Low113 Ų11353 Ų5353%0.52827%0.274SS..Hα-helixtrans-69.5-27.1-179.2-90.3-175.9159.600114T424 T502T424-E428 HydrophobicContact CG2-CG 4.46Å; T424-E428 WeakPolarHBondContact O-CG 3.4Å; T424-E428 PolarHBondContact O-N 3.39Å; E428-T502 HydrophobicContact CG-CG2 3.65Å
429E56.5Low65Low95 Ų9555 Ų5544%0.44429%0.288SS..SBendtrans-88.4146.6-173.6-83.3-68.8170.800113.8V387 Q431V387-E429 HydrophobicContact CG2-CB 4.35Å; E429-Q431 PolarHBondContact O-N 2.99Å
430R50.5Low64.3Low242 Ų24259.7 Ų59.791%0.91332%0.319SS*.SBendtrans-61.5-2.6-155.5-70.4-179177.1176.10.1118.5
431Q47.2Very low63.5Low130 Ų13065.1 Ų65.161%0.60735%0.345SS*.SBendtrans-130.7136.7177.7-74.6-168.8-14.600111.6V387 E429 I433V387-Q431 HydrophobicContact CG1-CB 4.42Å; E429-Q431 PolarHBondContact O-N 2.99Å; Q431-I433 PolarHBondContact O-N 3.22Å
432P48.2Very low62.7Low86 Ų8662.5 Ų62.556%0.55833%0.333SS*.  trans-77.1118.5-174.129.9-30.8000111.1F434 F506P432-F434 VanDerWaalsContact C-N 3.33Å; P432-F506 HydrophobicContact CB-CD1 4.28Å; P432-F506 HydrophobicContact CB-CE1 3.92Å
433I54Low62.1Low9 Ų964.4 Ų64.45%0.04635%0.345CS..SBendtrans-72.2-34.7164.7-63.5162.3000109.4L390 R394 I426 Q431L390-I433 HydrophobicContact CB-CD1 3.95Å; L390-I433 HydrophobicContact CD1-CD1 3.91Å; R394-I433 PolarHBondContact NH2-O 3.2Å; I426-I433 HydrophobicContact CG2-CB 4.38Å; I426-I433 HydrophobicContact CG2-CD1 3.72Å; Q431-I433 PolarHBondContact O-N 3.22Å
434F55.3Low61.7Low29 Ų2968.6 Ų68.613%0.12737%0.367CS..SBendtrans-109.7132.3179.2-62.1-72.1000112.4I397 F401 I426 P432 F436I397-F434 HydrophobicContact CG2-CE1 4.16Å; I397-F434 HydrophobicContact CG2-CE2 3.92Å; I397-F434 HydrophobicContact CG2-CZ 3.32Å; F401-F434 HydrophobicContact CB-CZ 4.14Å; I426-F434 HydrophobicContact CG2-CD2 4.23Å; I426-F434 HydrophobicContact CG2-CE2 3.89Å; P432-F434 VanDerWaalsContact C-N 3.33Å; F434-F436 HydrophobicContact CB-CD2 4.27Å; F434-F436 HydrophobicContact CB-CE2 3.85Å; F434-F436 HydrophobicContact CB-CZ 4.18Å; F434-F436 PolarHBondContact O-N 2.93Å
435S53.6Low61.2Low119 Ų11969.5 Ų69.583%0.83237%0.37SS*.  trans-89.893.8168.555.80000109.7G437S435-G437 PolarHBondContact O-N 2.93Å; S435-G437 VanDerWaalsContact O-N 3.09Å
436F56.2Low60.7Low25 Ų2569.1 Ų69.111%0.1137%0.369CS..  trans-72.897.4172.4-67.7-79.9000109.6V403 L423 F434 V442 F506V403-F436 HydrophobicContact CG1-CE1 4.23Å; V403-F436 HydrophobicContact CG2-CE1 4.38Å; L423-F436 HydrophobicContact CD2-CZ 4.15Å; F434-F436 HydrophobicContact CB-CD2 4.27Å; F434-F436 HydrophobicContact CB-CE2 3.85Å; F434-F436 HydrophobicContact CB-CZ 4.18Å; F434-F436 PolarHBondContact O-N 2.93Å; F436-V442 HydrophobicContact CD1-CG1 4.24Å; F436-F506 HydrophobicContact CB-CB 4.37Å; F436-F506 HydrophobicContact CD2-CB 4.13Å
437G53.4Low60.3Low44 Ų4472 Ų7245%0.45438%0.384SS..  trans-86.1165170.300000112.6S435 S439S435-G437 PolarHBondContact O-N 2.93Å; S435-G437 VanDerWaalsContact O-N 3.09Å; G437-S439 PolarHBondContact O-N 3.41Å
438D55.2Low60.1Low101 Ų10176.9 Ų76.954%0.5440%0.401SS..  trans-72.246.6175.1-72.6-30.3000113S508D438-S508 VanDerWaalsContact OD1-CB 3.28Å; D438-S508 WeakPolarHBondContact OD1-CB 3.48Å; D438-S508 PolarHBondContact OD1-OG 2.88Å; D438-S508 WeakPolarHBondContact OD2-CB 3.28Å; D438-S508 PolarHBondContact OD2-OG 3.3Å
439S63.7Low60.1Low42 Ų4271.6 Ų71.629%0.29438%0.376SS..  trans-73.5140.6171.875.80000109.6G437 E441 V442 V443G437-S439 PolarHBondContact O-N 3.41Å; S439-E441 PolarHBondContact O-N 3.29Å; S439-V442 PolarHBondContact O-N 3.34Å; S439-V442 VanDerWaalsContact OG-CG2 3.3Å; S439-V442 WeakPolarHBondContact OG-CG2 3.01Å; S439-V443 PolarHBondContact O-N 3.5Å
440P64.2Low60.4Low104 Ų10467.4 Ų67.468%0.67536%0.358SS*.Hα-helixtrans-58-26.4-177.521.6-32.4000112.5N444P440-N444 WeakPolarHBondContact O-CB 3.47Å; P440-N444 PolarHBondContact O-N 2.86Å
441E63Low61.1Low116 Ų11658.9 Ų58.954%0.54234%0.339SS..Hα-helixtrans-71.4-40.5178-62.2167.7170.300112.6P404 S439 N444 F445P404-E441 HydrophobicContact CB-CB 4.09Å; P404-E441 HydrophobicContact CG-CB 3.51Å; S439-E441 PolarHBondContact O-N 3.29Å; E441-N444 PolarHBondContact O-N 3.1Å; E441-F445 WeakPolarHBondContact O-CB 3.48Å; E441-F445 PolarHBondContact O-N 2.77Å
442V65.7Low62Low11 Ų1154.2 Ų54.27%0.06732%0.318CS..Hα-helixtrans-66-41.8174.3173.50000110.5V403 P404 F436 S439 N444 F445 L446V403-V442 HydrophobicContact CG1-CG2 3.91Å; P404-V442 HydrophobicContact CG-CG2 3.69Å; F436-V442 HydrophobicContact CD1-CG1 4.24Å; S439-V442 PolarHBondContact O-N 3.34Å; S439-V442 VanDerWaalsContact OG-CG2 3.3Å; S439-V442 WeakPolarHBondContact OG-CG2 3.01Å; V442-N444 VanDerWaalsContact C-N 3.32Å; V442-N444 PolarHBondContact O-N 3.44Å; V442-F445 WeakPolarHBondContact O-CB 3.26Å; V442-F445 PolarHBondContact O-N 3.35Å; V442-L446 HydrophobicContact CG1-CD1 4.11Å; V442-L446 WeakPolarHBondContact O-CG 3.27Å; V442-L446 PolarHBondContact O-N 2.94Å
443V65.6Low62.4Low40 Ų4050.6 Ų50.624%0.24229%0.294CS..Hα-helixtrans-63-40.3175.6179.50000110.7S439 L446 L447 T511S439-V443 PolarHBondContact O-N 3.5Å; V443-L446 PolarHBondContact O-N 3.14Å; V443-L447 HydrophobicContact CG1-CD1 4.05Å; V443-L447 HydrophobicContact CG1-CG 4.45Å; V443-L447 WeakPolarHBondContact O-CB 3.27Å; V443-L447 VanDerWaalsContact O-CG 3.28Å; V443-L447 WeakPolarHBondContact O-CG 3.4Å; V443-L447 PolarHBondContact O-N 3.42Å; V443-T511 HydrophobicContact CG1-CG2 4.34Å; V443-T511 HydrophobicContact CG2-CG2 4.36Å
444N68.2Low62.3Low92 Ų9252.7 Ų52.749%0.49232%0.317SS..Hα-helixtrans-65.3-39.7176.2-124.8-10.2000112.4P440 E441 V442 L447 R448P440-N444 WeakPolarHBondContact O-CB 3.47Å; P440-N444 PolarHBondContact O-N 2.86Å; E441-N444 PolarHBondContact O-N 3.1Å; V442-N444 VanDerWaalsContact C-N 3.32Å; V442-N444 PolarHBondContact O-N 3.44Å; N444-L447 PolarHBondContact O-N 3.22Å; N444-R448 WeakPolarHBondContact O-CG 3.31Å; N444-R448 PolarHBondContact O-N 3.46Å
445F70.3Confident62Low27 Ų2756.9 Ų56.912%0.11834%0.339CS..Hα-helixtrans-61.4-47.7173.5175.9-99.9000111.5I408 Y419 L423 E441 V442 L447 R448 I449I408-F445 HydrophobicContact CD1-CD2 4.23Å; I408-F445 HydrophobicContact CD1-CE2 3.28Å; I408-F445 HydrophobicContact CD1-CZ 3.74Å; I408-F445 HydrophobicContact CG1-CE2 4.09Å; Y419-F445 HydrophobicContact CE1-CE2 4.39Å; Y419-F445 HydrophobicContact CE1-CZ 4.09Å; L423-F445 HydrophobicContact CD1-CZ 4.5Å; E441-F445 WeakPolarHBondContact O-CB 3.48Å; E441-F445 PolarHBondContact O-N 2.77Å; V442-F445 WeakPolarHBondContact O-CB 3.26Å; V442-F445 PolarHBondContact O-N 3.35Å; F445-L447 VanDerWaalsContact C-N 3.32Å; F445-L447 PolarHBondContact O-N 2.95Å; F445-R448 PolarHBondContact O-N 3.2Å; F445-I449 HydrophobicContact CD1-CD1 3.87Å; F445-I449 HydrophobicContact CE1-CD1 3.33Å; F445-I449 HydrophobicContact CE1-CG1 4.49Å; F445-I449 HydrophobicContact CE2-CD1 4.25Å; F445-I449 HydrophobicContact CZ-CD1 3.55Å; F445-I449 WeakPolarHBondContact O-CG1 3.25Å; F445-I449 PolarHBondContact O-N 2.98Å; F445-I449 VanDerWaalsContact O-N 3.08Å
446L68.2Low61.2Low7 Ų757.6 Ų57.64%0.03733%0.329CS..Hα-helixtrans-61.3-38.7174.8-72.3169.6000112.2V442 V443 I449 A450 L500 I503 V507V442-L446 HydrophobicContact CG1-CD1 4.11Å; V442-L446 WeakPolarHBondContact O-CG 3.27Å; V442-L446 PolarHBondContact O-N 2.94Å; V443-L446 PolarHBondContact O-N 3.14Å; L446-I449 PolarHBondContact O-N 3.04Å; L446-A450 WeakPolarHBondContact O-CB 3.45Å; L446-A450 PolarHBondContact O-N 3.16Å; L446-L500 HydrophobicContact CD2-CD2 3.5Å; L446-L500 VanDerWaalsContact CD2-CD2 3.5Å; L446-I503 HydrophobicContact CD2-CD1 4.22Å; L446-I503 HydrophobicContact CD2-CG2 4.05Å; L446-V507 HydrophobicContact CD1-CG2 4.26Å
447L66.5Low60.3Low68 Ų6864.7 Ų64.736%0.35636%0.363SS..Hα-helixtrans-64.8-37.4175.5-79.2166.9000112.6V443 N444 F445 A450 A451 M514V443-L447 HydrophobicContact CG1-CD1 4.05Å; V443-L447 HydrophobicContact CG1-CG 4.45Å; V443-L447 WeakPolarHBondContact O-CB 3.27Å; V443-L447 VanDerWaalsContact O-CG 3.28Å; V443-L447 WeakPolarHBondContact O-CG 3.4Å; V443-L447 PolarHBondContact O-N 3.42Å; N444-L447 PolarHBondContact O-N 3.22Å; F445-L447 VanDerWaalsContact C-N 3.32Å; F445-L447 PolarHBondContact O-N 2.95Å; L447-A450 PolarHBondContact O-N 3.29Å; L447-A451 WeakPolarHBondContact O-CB 3.36Å; L447-A451 PolarHBondContact O-N 3.19Å; L447-M514 HydrophobicContact CD2-CE 3.45Å; L447-M514 VanDerWaalsContact CD2-CE 3.45Å; L447-M514 HydrophobicContact CD2-SD 4.1Å
448R67.1Low59.1Low115 Ų11567.1 Ų67.143%0.43437%0.372SS..Hα-helixtrans-67.4-42.9174.4-73.8-173.8-166-158.58112.2D409 N444 F445 A450 A451 L452D409-R448 IonicContact OD2-CZ 3.23Å; D409-R448 IonicContact OD2-NH1 3.67Å; D409-R448 PolarHBondContact OD2-NH1 3.41Å; N444-R448 WeakPolarHBondContact O-CG 3.31Å; N444-R448 PolarHBondContact O-N 3.46Å; F445-R448 PolarHBondContact O-N 3.2Å; R448-A450 VanDerWaalsContact C-N 3.29Å; R448-A450 PolarHBondContact O-N 3.35Å; R448-A451 WeakPolarHBondContact O-CB 3.4Å; R448-A451 PolarHBondContact O-N 3.36Å; R448-L452 PolarHBondContact O-N 2.78Å
449I69.1Low58Low2 Ų265.7 Ų65.71%0.0138%0.375CS..Hα-helixtrans-63.4-40174.4-62.4173.3000110.3I408 L420 F445 L446 A451 L452 A496 L500I408-I449 HydrophobicContact CD1-CG1 4.49Å; L420-I449 HydrophobicContact CD2-CD1 3.83Å; L420-I449 HydrophobicContact CD2-CG1 4.38Å; L420-I449 HydrophobicContact CD2-CG2 4.48Å; F445-I449 HydrophobicContact CD1-CD1 3.87Å; F445-I449 HydrophobicContact CE1-CD1 3.33Å; F445-I449 HydrophobicContact CE1-CG1 4.49Å; F445-I449 HydrophobicContact CE2-CD1 4.25Å; F445-I449 HydrophobicContact CZ-CD1 3.55Å; F445-I449 WeakPolarHBondContact O-CG1 3.25Å; F445-I449 PolarHBondContact O-N 2.98Å; F445-I449 VanDerWaalsContact O-N 3.08Å; L446-I449 PolarHBondContact O-N 3.04Å; I449-A451 PolarHBondContact O-N 3.42Å; I449-L452 WeakPolarHBondContact O-CB 3.45Å; I449-L452 PolarHBondContact O-N 3.02Å; I449-A496 HydrophobicContact CG2-CB 3.73Å; I449-L500 HydrophobicContact CB-CD2 4.31Å; I449-L500 HydrophobicContact CG2-CD1 3.97Å; I449-L500 HydrophobicContact CG2-CD2 3.98Å; I449-L500 HydrophobicContact CG2-CG 3.78Å
450A62.6Low56.3Low7 Ų768.9 Ų68.96%0.05840%0.404CS..Hα-helixtrans-64.9-34.4174.900000113.5L446 L447 R448 L452 L453 G454 L518L446-A450 WeakPolarHBondContact O-CB 3.45Å; L446-A450 PolarHBondContact O-N 3.16Å; L447-A450 PolarHBondContact O-N 3.29Å; R448-A450 VanDerWaalsContact C-N 3.29Å; R448-A450 PolarHBondContact O-N 3.35Å; A450-L452 VanDerWaalsContact C-N 3.3Å; A450-L452 PolarHBondContact O-N 3.05Å; A450-L453 WeakPolarHBondContact O-CB 3.37Å; A450-L453 PolarHBondContact O-N 3.31Å; A450-L453 VanDerWaalsContact O-N 3.14Å; A450-G454 PolarHBondContact O-N 2.99Å; A450-L518 HydrophobicContact CB-CD1 3.53Å; A450-L518 HydrophobicContact CB-CD2 4.39Å
451A66.3Low54.5Low63 Ų6367.8 Ų67.852%0.52141%0.411SS..Hα-helixtrans-63.8-33.8176.400000112.4L447 R448 I449 L453 G454L447-A451 WeakPolarHBondContact O-CB 3.36Å; L447-A451 PolarHBondContact O-N 3.19Å; R448-A451 WeakPolarHBondContact O-CB 3.4Å; R448-A451 PolarHBondContact O-N 3.36Å; I449-A451 PolarHBondContact O-N 3.42Å; A451-L453 PolarHBondContact O-N 3.28Å; A451-G454 PolarHBondContact O-N 2.96Å
452L65.6Low52.8Low32 Ų3265.2 Ų65.217%0.16842%0.416CS..Hα-helixtrans-62-25.9174.5-70.5165.8000113.1R448 I449 A450 L492R448-L452 PolarHBondContact O-N 2.78Å; I449-L452 WeakPolarHBondContact O-CB 3.45Å; I449-L452 PolarHBondContact O-N 3.02Å; A450-L452 VanDerWaalsContact C-N 3.3Å; A450-L452 PolarHBondContact O-N 3.05Å; L452-L492 HydrophobicContact CD1-CD2 4.21Å; L452-L492 HydrophobicContact CD2-CD2 4.06Å
453L56.2Low50.9Low10 Ų1071.4 Ų71.45%0.05244%0.444CS..Hα-helixtrans-88.6-21.8179.7-76.6159.5000113.5A450 A451 R493 L497 L500 N522 L530A450-L453 WeakPolarHBondContact O-CB 3.37Å; A450-L453 PolarHBondContact O-N 3.31Å; A450-L453 VanDerWaalsContact O-N 3.14Å; A451-L453 PolarHBondContact O-N 3.28Å; L453-R493 HydrophobicContact CD2-CB 4.34Å; L453-L497 HydrophobicContact CD2-CB 4.27Å; L453-L497 HydrophobicContact CD2-CD1 3.79Å; L453-L497 HydrophobicContact CD2-CG 4.24Å; L453-L500 HydrophobicContact CD1-CD1 3.44Å; L453-L500 VanDerWaalsContact CD1-CD1 3.44Å; L453-N522 PolarHBondContact O-OD1 3.45Å; L453-N522 VanDerWaalsContact O-OD1 3.07Å; L453-L530 HydrophobicContact CD2-CD2 3.94Å
454G52.6Low49.2Very low52 Ų5274.7 Ų74.754%0.53646%0.46SS..  trans-86.6-1.2-176.300000116A450 A451 E456A450-G454 PolarHBondContact O-N 2.99Å; A451-G454 PolarHBondContact O-N 2.96Å; G454-E456 PolarHBondContact O-N 2.78Å
455M48.2Very low47.6Very low117 Ų11777.3 Ų77.358%0.57647%0.474SS*.  trans-77.587.3-178.6-62.9-151.874.200111.6
456E36.5Very low45.9Very low134 Ų13481.7 Ų81.763%0.62649%0.493SS*.  trans-76.3143.6166-73.5-168.3172.100111.7G454 S458G454-E456 PolarHBondContact O-N 2.78Å; E456-S458 PolarHBondContact O-N 3.22Å; E456-S458 PolarHBondContact OE2-OG 3.21Å; E456-S458 VanDerWaalsContact OE2-OG 3.05Å
457E37.9Very low44.5Very low175 Ų17586 Ų8682%0.81852%0.516SS*.SBendtrans-65.14.2171.1-69.4171148.800113.6A459E457-A459 PolarHBondContact O-N 3.02Å
458S28.4Very low43Very low94 Ų9487.5 Ų87.566%0.65752%0.524SS*.  trans-92.342.4-172.6-23.60000113.5E456E456-S458 PolarHBondContact O-N 3.22Å; E456-S458 PolarHBondContact OE2-OG 3.21Å; E456-S458 VanDerWaalsContact OE2-OG 3.05Å
459A31.2Very low41.7Very low71 Ų7189 Ų8959%0.58754%0.54SS*.  trans-153.381.9165.500000109.9E457 G461E457-A459 PolarHBondContact O-N 3.02Å; A459-G461 PolarHBondContact O-N 3.2Å
460A28.9Very low40.2Very low110 Ų11094.7 Ų94.791%0.90957%0.566SS**THydrogen-bonded Turntrans-66.737.6170.700000113.3
461G26.6Very low38.8Very low80 Ų80103.5 Ų103.583%0.82560%0.598SS**THydrogen-bonded Turntrans-144.99-175.300000115.8A459A459-G461 PolarHBondContact O-N 3.2Å
462G26.3Very low37.5Very low62 Ų62107 Ų10764%0.63960%0.598SS**  trans-154.150-177.400000114.1D464G462-D464 VanDerWaalsContact C-N 3.26Å; G462-D464 PolarHBondContact O-N 3.49Å
463E26.2Very low35.9Very low142 Ų142110.8 Ų110.866%0.66461%0.614SS**  trans-78.11.9-179-70.6-168.9153.900114.6L467E463-L467 HydrophobicContact CB-CD1 4.44Å
464D31.3Very low34.7Very low109 Ų109115.3 Ų115.358%0.58364%0.644SS**Hα-helixtrans-82.5-40-163.8-69.9-36.6000114.7G462 L468G462-D464 VanDerWaalsContact C-N 3.26Å; G462-D464 PolarHBondContact O-N 3.49Å; D464-L468 HydrophobicContact CB-CD1 4.27Å; D464-L468 VanDerWaalsContact O-CB 3.27Å; D464-L468 WeakPolarHBondContact O-CB 3.36Å; D464-L468 WeakPolarHBondContact O-CD1 3.37Å; D464-L468 WeakPolarHBondContact O-CG 3.36Å; D464-L468 PolarHBondContact O-N 3.26Å
465D32.8Very low33.5Very low146 Ų146123.4 Ų123.478%0.78167%0.665SS**Hα-helixtrans-84.6-23.4-158.8-74.9-22.3000118.2
466F36.2Very low32.8Very low120 Ų120121.3 Ų121.353%0.52667%0.673SS.*Hα-helixtrans-105.5-26.2179.1-152.7-96.6000113.6L468F466-L468 VanDerWaalsContact C-N 3.31Å
467L37Very low32.5Very low97 Ų97118.2 Ų118.251%0.50866%0.663SS.*Hα-helixtrans-75.2-20.2172.7-71.6169.2000112.4E463 L469 Q470E463-L467 HydrophobicContact CB-CD1 4.44Å; L467-L469 VanDerWaalsContact C-N 3.33Å; L467-L469 PolarHBondContact O-N 2.91Å; L467-Q470 PolarHBondContact O-N 3.47Å
468L36Very low32.2Very low99 Ų99113.7 Ų113.752%0.51865%0.649SS.*G310 helixtrans-65.7-29.3175.5-87169.7000113.4D464 F466D464-L468 HydrophobicContact CB-CD1 4.27Å; D464-L468 VanDerWaalsContact O-CB 3.27Å; D464-L468 WeakPolarHBondContact O-CB 3.36Å; D464-L468 WeakPolarHBondContact O-CD1 3.37Å; D464-L468 WeakPolarHBondContact O-CG 3.36Å; D464-L468 PolarHBondContact O-N 3.26Å; F466-L468 VanDerWaalsContact C-N 3.31Å
469L39.2Very low32.6Very low147 Ų147114 Ų11477%0.7765%0.647SS**G310 helixtrans-75.2-22.4179.4-84.9158.4000113.9L467L467-L469 VanDerWaalsContact C-N 3.33Å; L467-L469 PolarHBondContact O-N 2.91Å
470Q38.8Very low32.7Very low122 Ų122116.4 Ų116.457%0.5765%0.649SS**G310 helixtrans-91.9-7.1176.9-75.6-169.9-6.500114.2L467 R472L467-Q470 PolarHBondContact O-N 3.47Å; Q470-R472 PolarHBondContact O-N 3.27Å; Q470-R472 VanDerWaalsContact O-N 3.11Å
471R33.2Very low33.1Very low191 Ų191114.8 Ų114.872%0.72162%0.624SS**THydrogen-bonded Turntrans-76.110.9-174.4-89.8-172.1179.8178.65.7116.6Q473R471-Q473 PolarHBondContact O-N 3.17Å
472R39.2Very low33.5Very low138 Ų138119.9 Ų119.952%0.52162%0.619SS.*THydrogen-bonded Turntrans-83.315.7165.9-82.2-172.5172.1167-8.2114.3Q470 T2178 Y2179Q470-R472 PolarHBondContact O-N 3.27Å; Q470-R472 VanDerWaalsContact O-N 3.11Å; R472-T2178 PolarHBondContact NH1-O 2.95Å; R472-Y2179 PolarHBondContact NE-OH 3.01Å; R472-Y2179 VanDerWaalsContact NH1-CE2 3.34Å; R472-Y2179 PolarHBondContact NH1-OH 3.46Å; R472-Y2179 PolarHBondContact NH2-OH 3.25Å
473Q32.1Very low34.2Very low110 Ų110126.5 Ų126.551%0.51463%0.625SS.*SBendtrans-90.7132.5165.5-70.1-129.2-16.600111.4R471 E2318R471-Q473 PolarHBondContact O-N 3.17Å; Q473-E2318 PolarHBondContact NE2-OE1 3.12Å
474P29.9Very low34.7Very low105 Ų105124.7 Ų124.768%0.68262%0.616SS**  trans-68.2145.1-176.127.1-32.5000112.1G476P474-G476 PolarHBondContact O-N 3.13Å
475K28.6Very low35.4Very low222 Ų222123 Ų12397%0.96561%0.61SS**THydrogen-bonded Turntrans-56.7104.9173.9-64.1178.1178.5177.60109.9
476G31.9Very low36.3Very low73 Ų73120 Ų12075%0.75360%0.597SS**THydrogen-bonded Turntrans166.4-1.3177.900000117.2P474P474-G476 PolarHBondContact O-N 3.13Å
477V31.1Very low37.4Very low69 Ų69119.9 Ų119.942%0.41860%0.597SS.*  trans-76.9126.1-174177.20000111.5L481V477-L481 HydrophobicContact CG1-CB 3.34Å; V477-L481 HydrophobicContact CG1-CD1 3.3Å; V477-L481 HydrophobicContact CG1-CG 3.91Å
478P31.6Very low38.5Very low80 Ų80117.7 Ų117.752%0.51959%0.586SS.*  trans-64.2152.5-175.523.8-32.4000112.4I480 L481P478-I480 PolarHBondContact O-N 2.8Å; P478-L481 PolarHBondContact O-N 3.21Å
479T35.6Very low39.8Very low101 Ų101115.8 Ų115.862%0.6258%0.579SS**Hα-helixtrans-49.2-28.3-174-7.20000114.1L481 R482T479-L481 PolarHBondContact O-N 3.13Å; T479-R482 WeakPolarHBondContact O-CB 3.49Å; T479-R482 PolarHBondContact O-N 2.73Å
480I35.2Very low41.1Very low122 Ų122109.4 Ų109.463%0.62655%0.547SS*.Hα-helixtrans-58.1-40.2176.7-76.3162.4000113.2P478 R482 W483 E484P478-I480 PolarHBondContact O-N 2.8Å; I480-R482 VanDerWaalsContact C-N 3.27Å; I480-R482 PolarHBondContact O-N 2.88Å; I480-W483 WeakPolarHBondContact O-CB 2.98Å; I480-W483 PolarHBondContact O-N 3.46Å; I480-E484 PolarHBondContact O-N 3.08Å
481L35.9Very low42.7Very low75 Ų75106.8 Ų106.839%0.39354%0.536SS..Hα-helixtrans-73.8-18.1-179.4-85.2158.9000112.6V477 P478 T479 E484 T485V477-L481 HydrophobicContact CG1-CB 3.34Å; V477-L481 HydrophobicContact CG1-CD1 3.3Å; V477-L481 HydrophobicContact CG1-CG 3.91Å; P478-L481 PolarHBondContact O-N 3.21Å; T479-L481 PolarHBondContact O-N 3.13Å; L481-E484 WeakPolarHBondContact CD2-OE2 3.48Å; L481-T485 WeakPolarHBondContact O-CG2 3.43Å; L481-T485 PolarHBondContact O-N 3.47Å; L481-T485 VanDerWaalsContact O-N 3.13Å; L481-T485 PolarHBondContact O-OG1 3.03Å
482R36.3Very low44.7Very low188 Ų18898 Ų9871%0.70950%0.504SS*.Hα-helixtrans-70.4-33167.1-75.7-177.7171.1-179.5-4.2112.4T479 I480 T485 V486T479-R482 WeakPolarHBondContact O-CB 3.49Å; T479-R482 PolarHBondContact O-N 2.73Å; I480-R482 VanDerWaalsContact C-N 3.27Å; I480-R482 PolarHBondContact O-N 2.88Å; R482-T485 WeakPolarHBondContact CA-OG1 3.36Å; R482-T485 PolarHBondContact O-OG1 2.95Å; R482-T485 VanDerWaalsContact O-OG1 3.06Å; R482-V486 WeakPolarHBondContact O-CG2 3.39Å; R482-V486 PolarHBondContact O-N 3.4Å
483W39.3Very low46.5Very low201 Ų20194.6 Ų94.676%0.76149%0.491SS*.Hα-helixtrans-69.4-39.5175.5-69.688.7000110.8I480 H487I480-W483 WeakPolarHBondContact O-CB 2.98Å; I480-W483 PolarHBondContact O-N 3.46Å; W483-H487 WeakPolarHBondContact O-CB 3.48Å; W483-H487 PolarHBondContact O-N 3.32Å
484E38.6Very low48.6Very low103 Ų10391.1 Ų91.148%0.48148%0.476SS..Hα-helixtrans-64.9-42.1175.3-75.6-175.6165.400112.6I480 L481 V486 H487 L488I480-E484 PolarHBondContact O-N 3.08Å; L481-E484 WeakPolarHBondContact CD2-OE2 3.48Å; E484-V486 PolarHBondContact O-N 2.9Å; E484-H487 PolarHBondContact O-N 3.32Å; E484-L488 HydrophobicContact CB-CD1 4.41Å; E484-L488 VanDerWaalsContact O-CB 3.22Å; E484-L488 WeakPolarHBondContact O-CB 3.43Å; E484-L488 WeakPolarHBondContact O-CD1 3.41Å; E484-L488 PolarHBondContact O-N 3.42Å
485T45.9Very low50.9Low73 Ų7386.4 Ų86.445%0.44845%0.446SS..Hα-helixtrans-65.8-37.1179.149.20000113.1L481 R482 T489L481-T485 WeakPolarHBondContact O-CG2 3.43Å; L481-T485 PolarHBondContact O-N 3.47Å; L481-T485 VanDerWaalsContact O-N 3.13Å; L481-T485 PolarHBondContact O-OG1 3.03Å; R482-T485 WeakPolarHBondContact CA-OG1 3.36Å; R482-T485 PolarHBondContact O-OG1 2.95Å; R482-T485 VanDerWaalsContact O-OG1 3.06Å; T485-T489 WeakPolarHBondContact O-CB 3.3Å; T485-T489 PolarHBondContact O-N 3.11Å; T485-T489 PolarHBondContact O-OG1 3.43Å
486V49.8Very low53.3Low84 Ų8475.9 Ų75.951%0.50940%0.4SS..Hα-helixtrans-67.5-41.3174176.20000111.1R482 E484 T489 S490R482-V486 WeakPolarHBondContact O-CG2 3.39Å; R482-V486 PolarHBondContact O-N 3.4Å; E484-V486 PolarHBondContact O-N 2.9Å; V486-T489 WeakPolarHBondContact CA-OG1 3.36Å; V486-T489 PolarHBondContact O-OG1 2.97Å; V486-S490 PolarHBondContact O-N 3.02Å; V486-S490 VanDerWaalsContact O-N 3.08Å
487H60.3Low55.5Low117 Ų11772.4 Ų72.454%0.54236%0.364SS..Hα-helixtrans-70.3-41.2178.9-145.2-58.5000112.2W483 E484 S490 N491W483-H487 WeakPolarHBondContact O-CB 3.48Å; W483-H487 PolarHBondContact O-N 3.32Å; E484-H487 PolarHBondContact O-N 3.32Å; H487-S490 PolarHBondContact O-N 3.03Å; H487-S490 PolarHBondContact O-OG 2.99Å; H487-N491 VanDerWaalsContact O-CG 3.3Å; H487-N491 PolarHBondContact O-N 3.33Å
488L59.7Low57.7Low51 Ų5173 Ų7327%0.26736%0.361SS..Hα-helixtrans-62.9-40.7175.1-93146.7000112.1V413 P414 I417 E484 S490 N491 L492V413-L488 HydrophobicContact CG1-CB 4.03Å; V413-L488 HydrophobicContact CG1-CD2 4.09Å; P414-L488 HydrophobicContact CB-CD2 4.47Å; P414-L488 HydrophobicContact CG-CD2 3.91Å; I417-L488 HydrophobicContact CD1-CD2 3.73Å; E484-L488 HydrophobicContact CB-CD1 4.41Å; E484-L488 VanDerWaalsContact O-CB 3.22Å; E484-L488 WeakPolarHBondContact O-CB 3.43Å; E484-L488 WeakPolarHBondContact O-CD1 3.41Å; E484-L488 PolarHBondContact O-N 3.42Å; L488-S490 VanDerWaalsContact C-N 3.34Å; L488-N491 PolarHBondContact O-N 3.36Å; L488-L492 WeakPolarHBondContact O-CB 3.25Å; L488-L492 PolarHBondContact O-N 3.09Å
489T64.1Low59.8Low60 Ų6069.3 Ų69.337%0.36834%0.337SS..Hα-helixtrans-65.7-37.5173.837.90000111.8T485 V486 L492 R493T485-T489 WeakPolarHBondContact O-CB 3.3Å; T485-T489 PolarHBondContact O-N 3.11Å; T485-T489 PolarHBondContact O-OG1 3.43Å; V486-T489 WeakPolarHBondContact CA-OG1 3.36Å; V486-T489 PolarHBondContact O-OG1 2.97Å; T489-L492 PolarHBondContact O-N 3.01Å; T489-R493 WeakPolarHBondContact O-CG 2.99Å; T489-R493 PolarHBondContact O-N 3.39Å; T489-R493 VanDerWaalsContact O-N 3.09Å
490S66.8Low61.7Low13 Ų1364.6 Ų64.69%0.09131%0.308CS..Hα-helixtrans-63.6-41.3172.986.90000112.4V486 H487 L488 R493 L494V486-S490 PolarHBondContact O-N 3.02Å; V486-S490 VanDerWaalsContact O-N 3.08Å; H487-S490 PolarHBondContact O-N 3.03Å; H487-S490 PolarHBondContact O-OG 2.99Å; L488-S490 VanDerWaalsContact C-N 3.34Å; S490-R493 PolarHBondContact O-N 3.49Å; S490-L494 PolarHBondContact O-N 2.95Å
491N70.9Confident63.5Low66 Ų6661.1 Ų61.135%0.35329%0.287SS..Hα-helixtrans-68.9-38.6178.6-70.8-14.1000111.9I417 H487 L488 L494 A495I417-N491 HydrophobicContact CD1-CB 4.01Å; H487-N491 VanDerWaalsContact O-CG 3.3Å; H487-N491 PolarHBondContact O-N 3.33Å; L488-N491 PolarHBondContact O-N 3.36Å; N491-L494 WeakPolarHBondContact O-CB 3.31Å; N491-L494 PolarHBondContact O-N 3.48Å; N491-A495 WeakPolarHBondContact O-CB 3.38Å; N491-A495 PolarHBondContact O-N 3.31Å
492L76.8Confident65.2Low8 Ų858 Ų584%0.04227%0.271CS..Hα-helixtrans-58.1-47.3172.1-175.980000111.4V413 Q416 I417 L420 L452 L488 T489 L494 A495 A496V413-L492 HydrophobicContact CG1-CB 4.19Å; V413-L492 HydrophobicContact CG1-CD1 4.41Å; V413-L492 HydrophobicContact CG1-CD2 4.4Å; Q416-L492 HydrophobicContact CB-CD1 3.42Å; Q416-L492 VanDerWaalsContact CB-CD1 3.42Å; I417-L492 HydrophobicContact CD1-CB 4.3Å; I417-L492 HydrophobicContact CG1-CB 3.91Å; I417-L492 HydrophobicContact CG1-CD1 3.72Å; I417-L492 HydrophobicContact CG1-CG 4.45Å; L420-L492 HydrophobicContact CD1-CD1 4.2Å; L452-L492 HydrophobicContact CD1-CD2 4.21Å; L452-L492 HydrophobicContact CD2-CD2 4.06Å; L488-L492 WeakPolarHBondContact O-CB 3.25Å; L488-L492 PolarHBondContact O-N 3.09Å; T489-L492 PolarHBondContact O-N 3.01Å; L492-L494 VanDerWaalsContact C-N 3.31Å; L492-L494 PolarHBondContact O-N 3.27Å; L492-A495 PolarHBondContact O-N 3.4Å; L492-A496 VanDerWaalsContact O-CB 3.28Å; L492-A496 WeakPolarHBondContact O-CB 3.48Å; L492-A496 PolarHBondContact O-N 2.99Å
493R75.4Confident67Low65 Ų6549.2 Ų49.225%0.24524%0.238CC..Hα-helixtrans-62.7-39.6177.1-70.2177.2-177161.31.4111.5L453 T489 S490 A496 L497 L530L453-R493 HydrophobicContact CD2-CB 4.34Å; T489-R493 WeakPolarHBondContact O-CG 2.99Å; T489-R493 PolarHBondContact O-N 3.39Å; T489-R493 VanDerWaalsContact O-N 3.09Å; S490-R493 PolarHBondContact O-N 3.49Å; R493-A496 PolarHBondContact O-N 3.41Å; R493-L497 WeakPolarHBondContact O-CB 3.47Å; R493-L497 PolarHBondContact O-N 2.75Å; R493-L530 HydrophobicContact CB-CD1 3.74Å; R493-L530 HydrophobicContact CB-CD2 3.84Å; R493-L530 HydrophobicContact CB-CG 4.23Å; R493-L530 HydrophobicContact CG-CD1 4.43Å
494L77.6Confident68.5Low38 Ų3839.8 Ų39.820%0.19920%0.203CC..Hα-helixtrans-62.5-47.3175.2-110.5157.7000112.4S490 N491 L492 L497 K498 E533S490-L494 PolarHBondContact O-N 2.95Å; N491-L494 WeakPolarHBondContact O-CB 3.31Å; N491-L494 PolarHBondContact O-N 3.48Å; L492-L494 VanDerWaalsContact C-N 3.31Å; L492-L494 PolarHBondContact O-N 3.27Å; L494-L497 PolarHBondContact O-N 3.36Å; L494-K498 PolarHBondContact O-N 3.08Å; L494-K498 VanDerWaalsContact O-N 3.11Å; L494-E533 HydrophobicContact CD2-CB 3.59Å; L494-E533 HydrophobicContact CD2-CG 3.61Å
495A77.8Confident69.9Low6 Ų641.1 Ų41.15%0.0521%0.207CC..Hα-helixtrans-64.3-40.9176.800000111.8I417 L420 E421 N491 L492 L497 K498 A499I417-A495 HydrophobicContact CG2-CB 4.24Å; L420-A495 HydrophobicContact CB-CB 4.08Å; L420-A495 HydrophobicContact CD1-CB 4.46Å; E421-A495 HydrophobicContact CG-CB 4.17Å; N491-A495 WeakPolarHBondContact O-CB 3.38Å; N491-A495 PolarHBondContact O-N 3.31Å; L492-A495 PolarHBondContact O-N 3.4Å; A495-L497 VanDerWaalsContact C-N 3.31Å; A495-L497 PolarHBondContact O-N 3.1Å; A495-K498 PolarHBondContact O-N 3.09Å; A495-A499 WeakPolarHBondContact O-CB 3.27Å; A495-A499 PolarHBondContact O-N 3.28Å
496A79.1Confident70.8Confident0 Ų040.6 Ų40.60%020%0.199CC..Hα-helixtrans-59.8-41.617400000111.6L420 I449 L492 R493 A499 L500L420-A496 HydrophobicContact CD1-CB 3.97Å; I449-A496 HydrophobicContact CG2-CB 3.73Å; L492-A496 VanDerWaalsContact O-CB 3.28Å; L492-A496 WeakPolarHBondContact O-CB 3.48Å; L492-A496 PolarHBondContact O-N 2.99Å; R493-A496 PolarHBondContact O-N 3.41Å; A496-A499 PolarHBondContact O-N 3.19Å; A496-L500 WeakPolarHBondContact O-CB 3.4Å; A496-L500 VanDerWaalsContact O-CG 3.32Å; A496-L500 WeakPolarHBondContact O-CG 3.45Å; A496-L500 PolarHBondContact O-N 3.24Å
497L77.9Confident71.7Confident0 Ų037.4 Ų37.40%018%0.179CC..Hα-helixtrans-66.3-41.4-179.7-147.6151.9000111.8L453 R493 L494 A495 Y501 L519 N522 L530 A534 C537L453-L497 HydrophobicContact CD2-CB 4.27Å; L453-L497 HydrophobicContact CD2-CD1 3.79Å; L453-L497 HydrophobicContact CD2-CG 4.24Å; R493-L497 WeakPolarHBondContact O-CB 3.47Å; R493-L497 PolarHBondContact O-N 2.75Å; L494-L497 PolarHBondContact O-N 3.36Å; A495-L497 VanDerWaalsContact C-N 3.31Å; A495-L497 PolarHBondContact O-N 3.1Å; L497-Y501 WeakPolarHBondContact O-CB 3.35Å; L497-Y501 PolarHBondContact O-N 3.05Å; L497-L519 HydrophobicContact CD1-CD2 4.42Å; L497-L519 HydrophobicContact CD2-CD2 3.32Å; L497-L519 HydrophobicContact CG-CD2 3.75Å; L497-N522 HydrophobicContact CD1-CB 4.26Å; L497-L530 HydrophobicContact CD1-CD2 3.55Å; L497-A534 HydrophobicContact CD1-CB 3.82Å; L497-A534 HydrophobicContact CD2-CB 4.02Å; L497-C537 HydrophobicContact CD2-CB 4.4Å
498K76.9Confident72.1Confident83 Ų8333.5 Ų33.536%0.36117%0.165SC..Hα-helixtrans-65.8-42.7173.9-72.2-174.3177.1-175.40113T424 L494 A495 Y501 T502 E533T424-K498 HydrophobicContact CG2-CB 3.97Å; L494-K498 PolarHBondContact O-N 3.08Å; L494-K498 VanDerWaalsContact O-N 3.11Å; A495-K498 PolarHBondContact O-N 3.09Å; K498-Y501 PolarHBondContact O-N 3.28Å; K498-T502 PolarHBondContact O-N 3.5Å; K498-T502 PolarHBondContact O-OG1 2.94Å; K498-E533 WeakPolarHBondContact CE-OE1 3.17Å; K498-E533 HydrophobicContact CG-CG 4.29Å; K498-E533 IonicContact NZ-OE1 2.62Å; K498-E533 PolarHBondContact NZ-OE1 3.17Å
499A76.5Confident72.5Confident1 Ų137.3 Ų37.31%0.00819%0.186CC..Hα-helixtrans-62.2-45.2176.200000111.1L420 T424 A495 A496 Y501 T502 I503L420-A499 HydrophobicContact CB-CB 4.35Å; L420-A499 HydrophobicContact CD2-CB 3.91Å; T424-A499 WeakPolarHBondContact OG1-CA 3.34Å; A495-A499 WeakPolarHBondContact O-CB 3.27Å; A495-A499 PolarHBondContact O-N 3.28Å; A496-A499 PolarHBondContact O-N 3.19Å; A499-Y501 VanDerWaalsContact C-N 3.35Å; A499-Y501 PolarHBondContact O-N 3.07Å; A499-T502 PolarHBondContact O-N 2.93Å; A499-T502 PolarHBondContact O-OG1 3.07Å; A499-I503 WeakPolarHBondContact O-CB 3.41Å; A499-I503 WeakPolarHBondContact O-CD1 3.46Å; A499-I503 WeakPolarHBondContact O-CG1 3.27Å; A499-I503 PolarHBondContact O-N 3.4Å
500L75.4Confident72.7Confident3 Ų344.9 Ų44.92%0.01621%0.207CC..Hα-helixtrans-63-39.1176.3-73.8179.3000112.7L446 I449 L453 A496 Y504 L515L446-L500 HydrophobicContact CD2-CD2 3.5Å; L446-L500 VanDerWaalsContact CD2-CD2 3.5Å; I449-L500 HydrophobicContact CB-CD2 4.31Å; I449-L500 HydrophobicContact CG2-CD1 3.97Å; I449-L500 HydrophobicContact CG2-CD2 3.98Å; I449-L500 HydrophobicContact CG2-CG 3.78Å; L453-L500 HydrophobicContact CD1-CD1 3.44Å; L453-L500 VanDerWaalsContact CD1-CD1 3.44Å; A496-L500 WeakPolarHBondContact O-CB 3.4Å; A496-L500 VanDerWaalsContact O-CG 3.32Å; A496-L500 WeakPolarHBondContact O-CG 3.45Å; A496-L500 PolarHBondContact O-N 3.24Å; L500-Y504 PolarHBondContact O-N 2.91Å; L500-L515 HydrophobicContact CB-CD2 4.3Å; L500-L515 HydrophobicContact CD1-CD2 3.89Å; L500-L515 HydrophobicContact CD2-CD2 3.61Å; L500-L515 HydrophobicContact CG-CD2 4.14Å
501Y72.8Confident72.7Confident48 Ų4845.1 Ų45.119%0.18821%0.209CC..Hα-helixtrans-64.2-44.3176.9165.2-100.3000112.6L497 K498 A499 Y504 C537 H540 L541L497-Y501 WeakPolarHBondContact O-CB 3.35Å; L497-Y501 PolarHBondContact O-N 3.05Å; K498-Y501 PolarHBondContact O-N 3.28Å; A499-Y501 VanDerWaalsContact C-N 3.35Å; A499-Y501 PolarHBondContact O-N 3.07Å; Y501-Y504 WeakPolarHBondContact O-CB 3.4Å; Y501-Y504 PolarHBondContact O-N 3.2Å; Y501-C537 HydrophobicContact CD2-CB 3.55Å; Y501-C537 HydrophobicContact CE2-CB 4.23Å; Y501-C537 WeakPolarHBondContact CE2-O 3.38Å; Y501-C537 HydrophobicContact CG-CB 3.84Å; Y501-H540 HydrophobicContact CE2-CB 4.13Å; Y501-H540 WeakPolarHBondContact OH-CB 3.49Å; Y501-L541 HydrophobicContact CD2-CD1 4.26Å; Y501-L541 HydrophobicContact CD2-CD2 4.33Å; Y501-L541 HydrophobicContact CD2-CG 4.02Å; Y501-L541 HydrophobicContact CE2-CD2 4.03Å; Y501-L541 HydrophobicContact CE2-CG 3.81Å
502T71.7Confident72.6Confident10 Ų1042.6 Ų42.66%0.06120%0.195CC..Hα-helixtrans-68.2-39178.644.10000111.8T424 E428 K498 A499 Y504 F506T424-T502 HydrophobicContact CG2-CG2 3.73Å; E428-T502 HydrophobicContact CG-CG2 3.65Å; K498-T502 PolarHBondContact O-N 3.5Å; K498-T502 PolarHBondContact O-OG1 2.94Å; A499-T502 PolarHBondContact O-N 2.93Å; A499-T502 PolarHBondContact O-OG1 3.07Å; T502-Y504 VanDerWaalsContact C-N 3.29Å; T502-Y504 PolarHBondContact O-N 3.27Å; T502-F506 WeakPolarHBondContact O-CD2 3.35Å; T502-F506 WeakPolarHBondContact O-CE2 3.39Å
503I73Confident72.2Confident3 Ų345.8 Ų45.82%0.01521%0.209CC..Hα-helixtrans-67.2-29.9175.8-62.4163.3000111.5L446 A499 K505 F506 V507L446-I503 HydrophobicContact CD2-CD1 4.22Å; L446-I503 HydrophobicContact CD2-CG2 4.05Å; A499-I503 WeakPolarHBondContact O-CB 3.41Å; A499-I503 WeakPolarHBondContact O-CD1 3.46Å; A499-I503 WeakPolarHBondContact O-CG1 3.27Å; A499-I503 PolarHBondContact O-N 3.4Å; I503-K505 PolarHBondContact O-N 3.21Å; I503-F506 PolarHBondContact O-N 2.87Å; I503-V507 HydrophobicContact CG2-CG2 3.64Å; I503-V507 WeakPolarHBondContact O-CG2 3.44Å
504Y71.1Confident72Confident4 Ų447.4 Ų47.42%0.01622%0.221CC..Hα-helixtrans-47.7-37.7-179.5-168.7-85.3000113.9L500 Y501 T502 F506 Q512 L515 A516 L541 M546L500-Y504 PolarHBondContact O-N 2.91Å; Y501-Y504 WeakPolarHBondContact O-CB 3.4Å; Y501-Y504 PolarHBondContact O-N 3.2Å; T502-Y504 VanDerWaalsContact C-N 3.29Å; T502-Y504 PolarHBondContact O-N 3.27Å; Y504-F506 PolarHBondContact O-N 3.17Å; Y504-Q512 HydrophobicContact CD1-CG 4.1Å; Y504-Q512 HydrophobicContact CD2-CB 4.46Å; Y504-Q512 HydrophobicContact CD2-CG 4.26Å; Y504-Q512 HydrophobicContact CE1-CB 4.15Å; Y504-Q512 HydrophobicContact CE1-CG 3.84Å; Y504-Q512 HydrophobicContact CE2-CB 3.8Å; Y504-Q512 HydrophobicContact CE2-CG 4.02Å; Y504-Q512 WeakPolarHBondContact CE2-O 3.46Å; Y504-Q512 HydrophobicContact CG-CG 4.31Å; Y504-Q512 PolarHBondContact O-NE2 3.49Å; Y504-L515 HydrophobicContact CD2-CB 4.1Å; Y504-L515 HydrophobicContact CE2-CB 4.3Å; Y504-A516 HydrophobicContact CE2-CB 4.04Å; Y504-L541 HydrophobicContact CD1-CD1 4.2Å; Y504-L541 HydrophobicContact CD1-CD2 3.31Å; Y504-L541 HydrophobicContact CD1-CG 4.4Å; Y504-L541 HydrophobicContact CD2-CD1 4.24Å; Y504-L541 HydrophobicContact CE1-CD1 4.15Å; Y504-L541 HydrophobicContact CE1-CD2 3.55Å; Y504-L541 HydrophobicContact CE1-CG 4.43Å; Y504-L541 HydrophobicContact CE2-CD1 4.17Å; Y504-L541 HydrophobicContact CG-CD1 4.24Å; Y504-L541 HydrophobicContact CG-CD2 3.97Å; Y504-M546 HydrophobicContact CE1-CB 4.23Å
505K68Low71.6Confident131 Ų13146 Ų4657%0.5721%0.214SC*.THydrogen-bonded Turntrans-62.9-20.2179.1-98.3-178.31771740114.6I503I503-K505 PolarHBondContact O-N 3.21Å
506F66Low71Confident62 Ų6245.8 Ų45.827%0.27221%0.211SC..THydrogen-bonded Turntrans-113.32.3-168.1-55-72.5000113.9C427 P432 F436 T502 I503 Y504C427-F506 HydrophobicContact CB-CE2 4.46Å; P432-F506 HydrophobicContact CB-CD1 4.28Å; P432-F506 HydrophobicContact CB-CE1 3.92Å; F436-F506 HydrophobicContact CB-CB 4.37Å; F436-F506 HydrophobicContact CD2-CB 4.13Å; T502-F506 WeakPolarHBondContact O-CD2 3.35Å; T502-F506 WeakPolarHBondContact O-CE2 3.39Å; I503-F506 PolarHBondContact O-N 2.87Å; Y504-F506 PolarHBondContact O-N 3.17Å
507V68.6Low70.7Confident16 Ų1649.2 Ų49.210%0.09723%0.23CC..SBendtrans-109.8158.3-174.6-169.80000111.6L446 I503 T511 Q512L446-V507 HydrophobicContact CD1-CG2 4.26Å; I503-V507 HydrophobicContact CG2-CG2 3.64Å; I503-V507 WeakPolarHBondContact O-CG2 3.44Å; V507-T511 VanDerWaalsContact CG1-CB 3.4Å; V507-T511 HydrophobicContact CG1-CG2 4.13Å; V507-T511 VanDerWaalsContact CG1-OG1 3.24Å; V507-T511 WeakPolarHBondContact CG1-OG1 3.38Å; V507-Q512 PolarHBondContact O-NE2 2.94Å
508S68.9Low70.3Confident36 Ų3650.8 Ų50.825%0.25224%0.238SC..  trans-62.9153.8176.163.90000114.9D438 R510 T511 Q512D438-S508 VanDerWaalsContact OD1-CB 3.28Å; D438-S508 WeakPolarHBondContact OD1-CB 3.48Å; D438-S508 PolarHBondContact OD1-OG 2.88Å; D438-S508 WeakPolarHBondContact OD2-CB 3.28Å; D438-S508 PolarHBondContact OD2-OG 3.3Å; S508-R510 PolarHBondContact O-N 2.99Å; S508-T511 PolarHBondContact O-N 2.94Å; S508-T511 VanDerWaalsContact O-N 3.14Å; S508-T511 PolarHBondContact O-OG1 2.86Å; S508-T511 PolarHBondContact OG-OG1 2.88Å; S508-Q512 PolarHBondContact O-N 3.38Å
509D66.7Low70Confident130 Ų13047 Ų4770%0.69522%0.222SC*.Hα-helixtrans-49.2-35-177.6-89.8-3.8000113.7Q512 Q513D509-Q512 PolarHBondContact OD1-OE1 2.92Å; D509-Q513 PolarHBondContact O-N 2.91Å
510R68.3Low69.7Low219 Ų21947.1 Ų47.183%0.82622%0.222SC*.Hα-helixtrans-69.6-44.1-175.6-140.9179.7-170.5176.42.6111.9S508 Q513 M514S508-R510 PolarHBondContact O-N 2.99Å; R510-Q513 PolarHBondContact O-N 3.23Å; R510-M514 PolarHBondContact O-N 2.65Å
511T67.6Low69.6Low19 Ų1950.3 Ų50.312%0.11724%0.239CC..Hα-helixtrans-75.9-32.9178.3-6.50000110.7V443 V507 S508 Q513 M514 L515V443-T511 HydrophobicContact CG1-CG2 4.34Å; V443-T511 HydrophobicContact CG2-CG2 4.36Å; V507-T511 VanDerWaalsContact CG1-CB 3.4Å; V507-T511 HydrophobicContact CG1-CG2 4.13Å; V507-T511 VanDerWaalsContact CG1-OG1 3.24Å; V507-T511 WeakPolarHBondContact CG1-OG1 3.38Å; S508-T511 PolarHBondContact O-N 2.94Å; S508-T511 VanDerWaalsContact O-N 3.14Å; S508-T511 PolarHBondContact O-OG1 2.86Å; S508-T511 PolarHBondContact OG-OG1 2.88Å; T511-Q513 PolarHBondContact O-N 3.16Å; T511-M514 PolarHBondContact O-N 3.48Å; T511-L515 WeakPolarHBondContact O-CB 3.41Å; T511-L515 WeakPolarHBondContact O-CG 3.14Å; T511-L515 PolarHBondContact O-N 3.47Å
512Q69Low69.4Low12 Ų1248.9 Ų48.96%0.05624%0.235CC..Hα-helixtrans-57.6-44.2169.1-78.7-175.6-9.800112Y504 V507 S508 D509 M514 L515 A516Y504-Q512 HydrophobicContact CD1-CG 4.1Å; Y504-Q512 HydrophobicContact CD2-CB 4.46Å; Y504-Q512 HydrophobicContact CD2-CG 4.26Å; Y504-Q512 HydrophobicContact CE1-CB 4.15Å; Y504-Q512 HydrophobicContact CE1-CG 3.84Å; Y504-Q512 HydrophobicContact CE2-CB 3.8Å; Y504-Q512 HydrophobicContact CE2-CG 4.02Å; Y504-Q512 WeakPolarHBondContact CE2-O 3.46Å; Y504-Q512 HydrophobicContact CG-CG 4.31Å; Y504-Q512 PolarHBondContact O-NE2 3.49Å; V507-Q512 PolarHBondContact O-NE2 2.94Å; S508-Q512 PolarHBondContact O-N 3.38Å; D509-Q512 PolarHBondContact OD1-OE1 2.92Å; Q512-M514 VanDerWaalsContact C-N 3.35Å; Q512-M514 PolarHBondContact O-N 2.75Å; Q512-L515 PolarHBondContact O-N 3.27Å; Q512-A516 VanDerWaalsContact O-CB 3.27Å; Q512-A516 WeakPolarHBondContact O-CB 3.34Å; Q512-A516 PolarHBondContact O-N 3.23Å
513Q67.8Low69.2Low76 Ų7648.4 Ų48.436%0.35523%0.232SC..Hα-helixtrans-61.8-42175.7-77.3-171.3-25.500112.6D509 R510 T511 A516 N517 S548D509-Q513 PolarHBondContact O-N 2.91Å; R510-Q513 PolarHBondContact O-N 3.23Å; T511-Q513 PolarHBondContact O-N 3.16Å; Q513-A516 PolarHBondContact O-N 3.33Å; Q513-N517 PolarHBondContact O-N 3.31Å; Q513-N517 VanDerWaalsContact O-N 3.07Å; Q513-S548 PolarHBondContact NE2-OG 3.23Å
514M70.5Confident68.7Low99 Ų9950.1 Ų50.149%0.48824%0.243SC..Hα-helixtrans-64.1-46.2178.9-169.8172.1-174.600111.9L447 R510 T511 Q512 N517 L518L447-M514 HydrophobicContact CD2-CE 3.45Å; L447-M514 VanDerWaalsContact CD2-CE 3.45Å; L447-M514 HydrophobicContact CD2-SD 4.1Å; R510-M514 PolarHBondContact O-N 2.65Å; T511-M514 PolarHBondContact O-N 3.48Å; Q512-M514 VanDerWaalsContact C-N 3.35Å; Q512-M514 PolarHBondContact O-N 2.75Å; M514-N517 PolarHBondContact O-N 3.45Å; M514-L518 PolarHBondContact O-N 3.03Å; M514-L518 VanDerWaalsContact O-N 3.15Å
515L69.5Low68.4Low9 Ų950.8 Ų50.85%0.04725%0.25CS..Hα-helixtrans-64.1-40.9177.2-77.4168.9000112.3L500 Y504 T511 Q512 N517 L518 L519L500-L515 HydrophobicContact CB-CD2 4.3Å; L500-L515 HydrophobicContact CD1-CD2 3.89Å; L500-L515 HydrophobicContact CD2-CD2 3.61Å; L500-L515 HydrophobicContact CG-CD2 4.14Å; Y504-L515 HydrophobicContact CD2-CB 4.1Å; Y504-L515 HydrophobicContact CE2-CB 4.3Å; T511-L515 WeakPolarHBondContact O-CB 3.41Å; T511-L515 WeakPolarHBondContact O-CG 3.14Å; T511-L515 PolarHBondContact O-N 3.47Å; Q512-L515 PolarHBondContact O-N 3.27Å; L515-N517 VanDerWaalsContact C-N 3.34Å; L515-N517 PolarHBondContact O-N 3.32Å; L515-L518 WeakPolarHBondContact O-CB 3.14Å; L515-L518 PolarHBondContact O-N 3.33Å; L515-L519 WeakPolarHBondContact O-CG 3.41Å; L515-L519 PolarHBondContact O-N 2.98Å
516A66.9Low68.1Low0 Ų046.9 Ų46.90%024%0.242CC..Hα-helixtrans-65.1-36.2177.500000112.4Y504 Q512 Q513 L519 L520 I551Y504-A516 HydrophobicContact CE2-CB 4.04Å; Q512-A516 VanDerWaalsContact O-CB 3.27Å; Q512-A516 WeakPolarHBondContact O-CB 3.34Å; Q512-A516 PolarHBondContact O-N 3.23Å; Q513-A516 PolarHBondContact O-N 3.33Å; A516-L519 PolarHBondContact O-N 3.49Å; A516-L520 WeakPolarHBondContact O-CB 3.08Å; A516-L520 PolarHBondContact O-N 3.16Å; A516-I551 HydrophobicContact CB-CD1 3.35Å
517N71.1Confident68.1Low73 Ų7347.8 Ų47.839%0.3925%0.247SC..Hα-helixtrans-65-38.8171.9-91-19.4000112.9Q513 M514 L515 L520 N521Q513-N517 PolarHBondContact O-N 3.31Å; Q513-N517 VanDerWaalsContact O-N 3.07Å; M514-N517 PolarHBondContact O-N 3.45Å; L515-N517 VanDerWaalsContact C-N 3.34Å; L515-N517 PolarHBondContact O-N 3.32Å; N517-L520 PolarHBondContact O-N 3.38Å; N517-N521 PolarHBondContact O-N 2.74Å
518L69.3Low68.2Low32 Ų3251 Ų5117%0.16826%0.262CS..Hα-helixtrans-65.2-43.5174.4-99.1148.5000112.3A450 M514 L515 L520 N521 N522A450-L518 HydrophobicContact CB-CD1 3.53Å; A450-L518 HydrophobicContact CB-CD2 4.39Å; M514-L518 PolarHBondContact O-N 3.03Å; M514-L518 VanDerWaalsContact O-N 3.15Å; L515-L518 WeakPolarHBondContact O-CB 3.14Å; L515-L518 PolarHBondContact O-N 3.33Å; L518-L520 VanDerWaalsContact C-N 3.3Å; L518-L520 PolarHBondContact O-N 2.92Å; L518-N521 PolarHBondContact O-N 2.95Å; L518-N522 PolarHBondContact O-N 3.28Å; L518-N522 VanDerWaalsContact O-N 3.1Å; L518-N522 PolarHBondContact O-ND2 3.41Å
519L71.9Confident68.2Low4 Ų450.9 Ų50.92%0.02127%0.266CS..Hα-helixtrans-59.4-43.1173.4-73.2166.7000110.8L497 L515 A516 N521 N522 V523 L538 L541L497-L519 HydrophobicContact CD1-CD2 4.42Å; L497-L519 HydrophobicContact CD2-CD2 3.32Å; L497-L519 HydrophobicContact CG-CD2 3.75Å; L515-L519 WeakPolarHBondContact O-CG 3.41Å; L515-L519 PolarHBondContact O-N 2.98Å; A516-L519 PolarHBondContact O-N 3.49Å; L519-N521 VanDerWaalsContact C-N 3.34Å; L519-N521 PolarHBondContact O-N 3.27Å; L519-N522 PolarHBondContact O-N 3Å; L519-V523 WeakPolarHBondContact O-CG2 3.41Å; L519-V523 PolarHBondContact O-N 3.06Å; L519-V523 VanDerWaalsContact O-N 3.17Å; L519-L538 HydrophobicContact CB-CD1 4.07Å; L519-L538 HydrophobicContact CB-CG 4.19Å; L519-L541 HydrophobicContact CD1-CD1 4.2Å
520L70.4Confident68.4Low4 Ų445.3 Ų45.32%0.02124%0.236CC..Hα-helixtrans-63.2-37.3176.9-159.184.8000112.6A516 N517 L518 L538 I551 S554 A555A516-L520 WeakPolarHBondContact O-CB 3.08Å; A516-L520 PolarHBondContact O-N 3.16Å; N517-L520 PolarHBondContact O-N 3.38Å; L518-L520 VanDerWaalsContact C-N 3.3Å; L518-L520 PolarHBondContact O-N 2.92Å; L520-L538 HydrophobicContact CD1-CD1 4.27Å; L520-I551 HydrophobicContact CD1-CG2 4.49Å; L520-I551 HydrophobicContact CD2-CG2 4.45Å; L520-S554 WeakPolarHBondContact CD2-OG 3.46Å; L520-A555 HydrophobicContact CD1-CB 3.84Å; L520-A555 HydrophobicContact CD2-CB 4.08Å
521N72.7Confident68.7Low69 Ų6935 Ų3537%0.36920%0.197SC..Hα-helixtrans-64.7-40.8174.4-73.5-17.2000112.2N517 L518 L519 V523 V524 G525 R558N517-N521 PolarHBondContact O-N 2.74Å; L518-N521 PolarHBondContact O-N 2.95Å; L519-N521 VanDerWaalsContact C-N 3.34Å; L519-N521 PolarHBondContact O-N 3.27Å; N521-V523 VanDerWaalsContact C-N 3.34Å; N521-V523 PolarHBondContact O-N 3.14Å; N521-V524 CarbonylContact O-C 3.55Å; N521-V524 WeakPolarHBondContact O-CA 3.35Å; N521-V524 WeakPolarHBondContact O-CB 3.44Å; N521-V524 PolarHBondContact O-N 3.39Å; N521-G525 PolarHBondContact O-N 3.41Å; N521-R558 PolarHBondContact OD1-NH1 2.93Å; N521-R558 PolarHBondContact OD1-NH2 3.47Å
522N69.2Low69Low19 Ų1939.6 Ų39.610%0.10222%0.216CC..Hα-helixtrans-70.2-27.4-180-77.4-72.1000113.9L453 L497 L518 L519 V524 G525 A534L453-N522 PolarHBondContact O-OD1 3.45Å; L453-N522 VanDerWaalsContact O-OD1 3.07Å; L497-N522 HydrophobicContact CD1-CB 4.26Å; L518-N522 PolarHBondContact O-N 3.28Å; L518-N522 VanDerWaalsContact O-N 3.1Å; L518-N522 PolarHBondContact O-ND2 3.41Å; L519-N522 PolarHBondContact O-N 3Å; N522-V524 PolarHBondContact O-N 2.91Å; N522-G525 PolarHBondContact O-N 2.94Å; N522-A534 HydrophobicContact CB-CB 4.4Å
523V67.2Low69.2Low0 Ų041.7 Ų41.70%023%0.225CC..Hα-helixtrans-60.8-28168.5176.20000111.2L519 N521 Q531 A534 L538L519-V523 WeakPolarHBondContact O-CG2 3.41Å; L519-V523 PolarHBondContact O-N 3.06Å; L519-V523 VanDerWaalsContact O-N 3.17Å; N521-V523 VanDerWaalsContact C-N 3.34Å; N521-V523 PolarHBondContact O-N 3.14Å; V523-Q531 WeakPolarHBondContact O-CG 3.36Å; V523-Q531 PolarHBondContact O-NE2 3.35Å; V523-A534 HydrophobicContact CG2-CB 3.69Å; V523-L538 HydrophobicContact CG2-CD1 3.71Å
524V62.4Low69.6Low39 Ų3938.1 Ų38.124%0.23621%0.208CC..THydrogen-bonded Turntrans-89.91.3176.4-168.80000112.1N521 N522 Q576N521-V524 CarbonylContact O-C 3.55Å; N521-V524 WeakPolarHBondContact O-CA 3.35Å; N521-V524 WeakPolarHBondContact O-CB 3.44Å; N521-V524 PolarHBondContact O-N 3.39Å; N522-V524 PolarHBondContact O-N 2.91Å; V524-Q576 VanDerWaalsContact C-NE2 3.25Å; V524-Q576 PolarHBondContact O-NE2 2.92Å
525G65Low69.8Low17 Ų1734.3 Ų34.318%0.17519%0.189CC..SBendtrans-74.3-174.5179.100000114.7N521 N522 Q531N521-G525 PolarHBondContact O-N 3.41Å; N522-G525 PolarHBondContact O-N 2.94Å; G525-Q531 PolarHBondContact O-NE2 3.01Å
526A61.2Low70.1Confident49 Ų4936 Ų3641%0.40521%0.205SC..SBendtrans-93.8-28.5-172.600000118.5
527H65.6Low70.3Confident81 Ų8136.5 Ų36.538%0.37521%0.208SC..  trans-89127.1-171-109.7-86.5000111.6G529 L530 Q531H527-G529 PolarHBondContact O-N 2.68Å; H527-L530 HydrophobicContact CB-CB 4.25Å; H527-L530 HydrophobicContact CB-CD1 4.04Å; H527-L530 PolarHBondContact O-N 2.94Å; H527-Q531 PolarHBondContact O-N 3.44Å; H527-Q531 VanDerWaalsContact O-N 3.08Å
528E70.7Confident70.5Confident85 Ų8533.2 Ų33.240%0.39719%0.19SC..Hα-helixtrans-58.9-43.7-175.6-178.5168.518000113.7Q531 K532 R575E528-Q531 PolarHBondContact O-N 3Å; E528-K532 PolarHBondContact O-N 2.85Å; E528-K532 VanDerWaalsContact O-N 3.09Å; E528-R575 VanDerWaalsContact CG-NH1 3.27Å; E528-R575 IonicContact OE1-CZ 3.82Å; E528-R575 IonicContact OE1-NH1 3.35Å; E528-R575 IonicContact OE1-NH2 3.99Å; E528-R575 PolarHBondContact OE1-NH2 2.86Å; E528-R575 IonicContact OE2-CZ 3.89Å; E528-R575 VanDerWaalsContact OE2-CZ 3.26Å; E528-R575 IonicContact OE2-NH1 3.69Å; E528-R575 PolarHBondContact OE2-NH1 3.37Å; E528-R575 IonicContact OE2-NH2 2.86Å; E528-R575 PolarHBondContact OE2-NH2 3.39Å
529G69.8Low70.7Confident33 Ų3335.8 Ų35.834%0.3420%0.2SC..Hα-helixtrans-64.8-39.4179.400000113.2H527 E533H527-G529 PolarHBondContact O-N 2.68Å; G529-E533 PolarHBondContact O-N 2.96Å
530L71.6Confident70.7Confident13 Ų1340.8 Ų40.87%0.06822%0.223CC..Hα-helixtrans-67.7-42176.7-92.3154.9000112.1L453 R493 L497 H527 A534L453-L530 HydrophobicContact CD2-CD2 3.94Å; R493-L530 HydrophobicContact CB-CD1 3.74Å; R493-L530 HydrophobicContact CB-CD2 3.84Å; R493-L530 HydrophobicContact CB-CG 4.23Å; R493-L530 HydrophobicContact CG-CD1 4.43Å; L497-L530 HydrophobicContact CD1-CD2 3.55Å; H527-L530 HydrophobicContact CB-CB 4.25Å; H527-L530 HydrophobicContact CB-CD1 4.04Å; H527-L530 PolarHBondContact O-N 2.94Å; L530-A534 WeakPolarHBondContact O-CB 3.48Å; L530-A534 PolarHBondContact O-N 2.96Å
531Q74.3Confident70.7Confident2 Ų240.8 Ų40.81%0.00922%0.223CC..Hα-helixtrans-61.2-45.2176.2-76.1-171.7-22.200111.8V523 G525 H527 E528 F535 Y579V523-Q531 WeakPolarHBondContact O-CG 3.36Å; V523-Q531 PolarHBondContact O-NE2 3.35Å; G525-Q531 PolarHBondContact O-NE2 3.01Å; H527-Q531 PolarHBondContact O-N 3.44Å; H527-Q531 VanDerWaalsContact O-N 3.08Å; E528-Q531 PolarHBondContact O-N 3Å; Q531-F535 WeakPolarHBondContact O-CB 3.3Å; Q531-F535 PolarHBondContact O-N 3.39Å; Q531-Y579 HydrophobicContact CB-CD2 4.32Å; Q531-Y579 HydrophobicContact CB-CE2 3.92Å
532K73.2Confident70.4Confident116 Ų11640.1 Ų40.150%0.50422%0.219SC..Hα-helixtrans-60.4-48.5-180-112.1-177.1177.4173.20111.9E528 F535 A536 Y579E528-K532 PolarHBondContact O-N 2.85Å; E528-K532 VanDerWaalsContact O-N 3.09Å; K532-F535 PolarHBondContact O-N 3.19Å; K532-A536 WeakPolarHBondContact O-CB 3.22Å; K532-A536 PolarHBondContact O-N 3.25Å; K532-Y579 WeakPolarHBondContact CG-OH 3.4Å
533E73.7Confident70.4Confident56 Ų5645 Ų4526%0.26224%0.242SC..Hα-helixtrans-71.8-39.9-177.1-131.772.1170.400111.6L494 K498 G529 F535 A536 C537L494-E533 HydrophobicContact CD2-CB 3.59Å; L494-E533 HydrophobicContact CD2-CG 3.61Å; K498-E533 WeakPolarHBondContact CE-OE1 3.17Å; K498-E533 HydrophobicContact CG-CG 4.29Å; K498-E533 IonicContact NZ-OE1 2.62Å; K498-E533 PolarHBondContact NZ-OE1 3.17Å; G529-E533 PolarHBondContact O-N 2.96Å; E533-F535 VanDerWaalsContact C-N 3.31Å; E533-F535 PolarHBondContact O-N 3.23Å; E533-A536 PolarHBondContact O-N 3.29Å; E533-C537 WeakPolarHBondContact O-CB 3.31Å; E533-C537 PolarHBondContact O-N 3.23Å; E533-C537 PolarHBondContact O-SG 3.44Å
534A74.9Confident70.1Confident0 Ų047.7 Ų47.70%026%0.26CS..Hα-helixtrans-61-41.6174.500000112.1L497 N522 V523 L530 C537 L538L497-A534 HydrophobicContact CD1-CB 3.82Å; L497-A534 HydrophobicContact CD2-CB 4.02Å; N522-A534 HydrophobicContact CB-CB 4.4Å; V523-A534 HydrophobicContact CG2-CB 3.69Å; L530-A534 WeakPolarHBondContact O-CB 3.48Å; L530-A534 PolarHBondContact O-N 2.96Å; A534-C537 PolarHBondContact O-N 2.94Å; A534-L538 WeakPolarHBondContact O-CB 3.4Å; A534-L538 PolarHBondContact O-N 3.32Å
535F75.3Confident69.9Low19 Ų1957 Ų578%0.08329%0.291CS..Hα-helixtrans-63.2-46.4174.3172.7-102.1000111.9Q531 K532 E533 C537 L538 K539 Y579 Q582 L583Q531-F535 WeakPolarHBondContact O-CB 3.3Å; Q531-F535 PolarHBondContact O-N 3.39Å; K532-F535 PolarHBondContact O-N 3.19Å; E533-F535 VanDerWaalsContact C-N 3.31Å; E533-F535 PolarHBondContact O-N 3.23Å; F535-C537 VanDerWaalsContact C-N 3.34Å; F535-C537 PolarHBondContact O-N 2.81Å; F535-L538 PolarHBondContact O-N 3.13Å; F535-K539 HydrophobicContact CE1-CD 4.09Å; F535-K539 HydrophobicContact CZ-CB 4.43Å; F535-K539 HydrophobicContact CZ-CD 4Å; F535-K539 VanDerWaalsContact O-CB 3.3Å; F535-K539 WeakPolarHBondContact O-CB 3.26Å; F535-K539 PolarHBondContact O-N 3.48Å; F535-Y579 HydrophobicContact CB-CD1 3.89Å; F535-Y579 HydrophobicContact CB-CE1 4.38Å; F535-Y579 HydrophobicContact CB-CG 4.01Å; F535-Y579 AromaticContact CD1-CD1 3.59Å; F535-Y579 HydrophobicContact CD1-CD1 3.59Å; F535-Y579 AromaticContact CD1-CE1 3.92Å; F535-Y579 HydrophobicContact CD1-CE1 3.92Å; F535-Y579 HydrophobicContact CD1-CG 4.47Å; F535-Y579 AromaticContact CD2-CD1 3.67Å; F535-Y579 HydrophobicContact CD2-CD1 3.67Å; F535-Y579 AromaticContact CD2-CG 3.89Å; F535-Y579 HydrophobicContact CD2-CG 3.89Å; F535-Y579 HydrophobicContact CE1-CD1 4.07Å; F535-Y579 HydrophobicContact CE1-CE1 4.49Å; F535-Y579 HydrophobicContact CE2-CD1 4.12Å; F535-Y579 VanDerWaalsContact CE2-O 3.24Å; F535-Y579 WeakPolarHBondContact CE2-O 3.48Å; F535-Y579 AromaticContact CG-CD1 3.38Å; F535-Y579 HydrophobicContact CG-CD1 3.38Å; F535-Y579 HydrophobicContact CG-CE1 4.07Å; F535-Y579 AromaticContact CG-CG 3.84Å; F535-Y579 HydrophobicContact CG-CG 3.84Å; F535-Y579 HydrophobicContact CZ-CD1 4.33Å; F535-Q582 HydrophobicContact CE2-CB 3.69Å; F535-Q582 HydrophobicContact CZ-CB 3.61Å; F535-Q582 HydrophobicContact CZ-CG 4.26Å; F535-L583 HydrophobicContact CD2-CD1 4.12Å; F535-L583 HydrophobicContact CD2-CD2 4.3Å; F535-L583 HydrophobicContact CD2-CG 4.03Å; F535-L583 HydrophobicContact CE2-CD1 4.43Å; F535-L583 HydrophobicContact CE2-CD2 4.14Å; F535-L583 HydrophobicContact CE2-CG 3.86Å
536A74.9Confident69.5Low46 Ų4660 Ų6038%0.3830%0.301SS..Hα-helixtrans-60-44.4177.400000111.7K532 E533 K539 H540K532-A536 WeakPolarHBondContact O-CB 3.22Å; K532-A536 PolarHBondContact O-N 3.25Å; E533-A536 PolarHBondContact O-N 3.29Å; A536-K539 PolarHBondContact O-N 3.49Å; A536-H540 PolarHBondContact O-N 3.35Å
537C72Confident69.3Low9 Ų959 Ų596%0.06129%0.29CS..Hα-helixtrans-59.9-50176.4-67.50000111.5L497 Y501 E533 A534 F535 K539 H540 L541L497-C537 HydrophobicContact CD2-CB 4.4Å; Y501-C537 HydrophobicContact CD2-CB 3.55Å; Y501-C537 HydrophobicContact CE2-CB 4.23Å; Y501-C537 WeakPolarHBondContact CE2-O 3.38Å; Y501-C537 HydrophobicContact CG-CB 3.84Å; E533-C537 WeakPolarHBondContact O-CB 3.31Å; E533-C537 PolarHBondContact O-N 3.23Å; E533-C537 PolarHBondContact O-SG 3.44Å; A534-C537 PolarHBondContact O-N 2.94Å; F535-C537 VanDerWaalsContact C-N 3.34Å; F535-C537 PolarHBondContact O-N 2.81Å; C537-K539 PolarHBondContact O-N 2.82Å; C537-H540 PolarHBondContact O-N 2.88Å; C537-L541 WeakPolarHBondContact O-CG 3.39Å; C537-L541 PolarHBondContact O-N 3.16Å
538L74.6Confident69Low4 Ų457.1 Ų57.12%0.02129%0.286CS..Hα-helixtrans-63.2-41.5178.3-91.7158.6000112.5L519 L520 V523 A534 F535 H540 L541 I542 L583L519-L538 HydrophobicContact CB-CD1 4.07Å; L519-L538 HydrophobicContact CB-CG 4.19Å; L520-L538 HydrophobicContact CD1-CD1 4.27Å; V523-L538 HydrophobicContact CG2-CD1 3.71Å; A534-L538 WeakPolarHBondContact O-CB 3.4Å; A534-L538 PolarHBondContact O-N 3.32Å; F535-L538 PolarHBondContact O-N 3.13Å; L538-H540 VanDerWaalsContact C-N 3.34Å; L538-H540 PolarHBondContact O-N 3.42Å; L538-L541 PolarHBondContact O-N 3.38Å; L538-I542 VanDerWaalsContact O-CG1 3.32Å; L538-I542 WeakPolarHBondContact O-CG1 3.45Å; L538-I542 PolarHBondContact O-N 3.42Å; L538-L583 HydrophobicContact CB-CD1 4.4Å; L538-L583 HydrophobicContact CB-CD2 3.71Å; L538-L583 HydrophobicContact CD1-CD1 4.3Å
539K73.9Confident68.6Low87 Ų8758.8 Ų58.838%0.37830%0.302SS..Hα-helixtrans-60.4-45.5177.2-173.7179.4179.4178.80111F535 A536 C537 L541 I542 E543F535-K539 HydrophobicContact CE1-CD 4.09Å; F535-K539 HydrophobicContact CZ-CB 4.43Å; F535-K539 HydrophobicContact CZ-CD 4Å; F535-K539 VanDerWaalsContact O-CB 3.3Å; F535-K539 WeakPolarHBondContact O-CB 3.26Å; F535-K539 PolarHBondContact O-N 3.48Å; A536-K539 PolarHBondContact O-N 3.49Å; C537-K539 PolarHBondContact O-N 2.82Å; K539-L541 PolarHBondContact O-N 2.64Å; K539-I542 PolarHBondContact O-N 2.88Å; K539-E543 WeakPolarHBondContact CE-OE1 3.45Å; K539-E543 WeakPolarHBondContact O-CG 3.36Å; K539-E543 PolarHBondContact O-N 3.41Å
540H72.6Confident68.1Low108 Ų10863.6 Ų63.650%0.532%0.316SS..Hα-helixtrans-64.8-38.5177-119.2-58.5000112.6Y501 A536 C537 L538 I542 E543 S544Y501-H540 HydrophobicContact CE2-CB 4.13Å; Y501-H540 WeakPolarHBondContact OH-CB 3.49Å; A536-H540 PolarHBondContact O-N 3.35Å; C537-H540 PolarHBondContact O-N 2.88Å; L538-H540 VanDerWaalsContact C-N 3.34Å; L538-H540 PolarHBondContact O-N 3.42Å; H540-I542 VanDerWaalsContact C-N 3.34Å; H540-E543 PolarHBondContact O-N 3.1Å; H540-S544 WeakPolarHBondContact O-CB 3.21Å; H540-S544 PolarHBondContact O-N 2.91Å; H540-S544 PolarHBondContact O-OG 3.42Å
541L70.9Confident67.6Low4 Ų463.4 Ų63.42%0.02132%0.315CS..Hα-helixtrans-63.3-38174.9-74.9173.9000112.4Y501 Y504 L519 C537 L538 K539 S544 R545 M546 V547Y501-L541 HydrophobicContact CD2-CD1 4.26Å; Y501-L541 HydrophobicContact CD2-CD2 4.33Å; Y501-L541 HydrophobicContact CD2-CG 4.02Å; Y501-L541 HydrophobicContact CE2-CD2 4.03Å; Y501-L541 HydrophobicContact CE2-CG 3.81Å; Y504-L541 HydrophobicContact CD1-CD1 4.2Å; Y504-L541 HydrophobicContact CD1-CD2 3.31Å; Y504-L541 HydrophobicContact CD1-CG 4.4Å; Y504-L541 HydrophobicContact CD2-CD1 4.24Å; Y504-L541 HydrophobicContact CE1-CD1 4.15Å; Y504-L541 HydrophobicContact CE1-CD2 3.55Å; Y504-L541 HydrophobicContact CE1-CG 4.43Å; Y504-L541 HydrophobicContact CE2-CD1 4.17Å; Y504-L541 HydrophobicContact CG-CD1 4.24Å; Y504-L541 HydrophobicContact CG-CD2 3.97Å; L519-L541 HydrophobicContact CD1-CD1 4.2Å; C537-L541 WeakPolarHBondContact O-CG 3.39Å; C537-L541 PolarHBondContact O-N 3.16Å; L538-L541 PolarHBondContact O-N 3.38Å; K539-L541 PolarHBondContact O-N 2.64Å; L541-S544 WeakPolarHBondContact CA-OG 3.38Å; L541-S544 PolarHBondContact O-OG 3.06Å; L541-R545 PolarHBondContact O-N 3.25Å; L541-M546 PolarHBondContact O-N 3.15Å; L541-M546 VanDerWaalsContact O-N 3.14Å; L541-V547 HydrophobicContact CB-CG2 3.64Å
542I66.6Low67.1Low55 Ų5566.1 Ų66.128%0.28233%0.329SS..Hα-helixtrans-69.2-44.5175.7-68.1170.4000110.8L538 K539 H540 S544 R545 V547 L552 L583L538-I542 VanDerWaalsContact O-CG1 3.32Å; L538-I542 WeakPolarHBondContact O-CG1 3.45Å; L538-I542 PolarHBondContact O-N 3.42Å; K539-I542 PolarHBondContact O-N 2.88Å; H540-I542 VanDerWaalsContact C-N 3.34Å; I542-S544 PolarHBondContact O-N 3.17Å; I542-R545 PolarHBondContact O-N 3.09Å; I542-R545 VanDerWaalsContact O-N 3.09Å; I542-V547 HydrophobicContact CG1-CG2 4.26Å; I542-L552 HydrophobicContact CD1-CD2 4.34Å; I542-L583 HydrophobicContact CD1-CB 4.21Å; I542-L583 HydrophobicContact CD1-CD2 3.44Å; I542-L583 VanDerWaalsContact CD1-CD2 3.44Å; I542-L583 HydrophobicContact CD1-CG 4.42Å
543E67.4Low66.9Low123 Ų12368.7 Ų68.758%0.57534%0.335SS*.Hα-helixtrans-63-32177.5-75.5176.4-174.600112.3K539 H540 R545K539-E543 WeakPolarHBondContact CE-OE1 3.45Å; K539-E543 WeakPolarHBondContact O-CG 3.36Å; K539-E543 PolarHBondContact O-N 3.41Å; H540-E543 PolarHBondContact O-N 3.1Å; E543-R545 VanDerWaalsContact C-N 3.33Å
544S61.5Low66.7Low55 Ų5567.4 Ų67.439%0.38533%0.333SS..THydrogen-bonded Turntrans-86.16.1175.446.30000114.8H540 L541 I542 M546H540-S544 WeakPolarHBondContact O-CB 3.21Å; H540-S544 PolarHBondContact O-N 2.91Å; H540-S544 PolarHBondContact O-OG 3.42Å; L541-S544 WeakPolarHBondContact CA-OG 3.38Å; L541-S544 PolarHBondContact O-OG 3.06Å; I542-S544 PolarHBondContact O-N 3.17Å; S544-M546 VanDerWaalsContact C-N 3.33Å; S544-M546 WeakPolarHBondContact O-CG 3.36Å; S544-M546 PolarHBondContact O-N 3.05Å
545R58.5Low66.2Low235 Ų23567.5 Ų67.589%0.88733%0.333SS*.THydrogen-bonded Turntrans59.927.2177.7-67.2-173177.7-176.90.2116L541 I542 E543L541-R545 PolarHBondContact O-N 3.25Å; I542-R545 PolarHBondContact O-N 3.09Å; I542-R545 VanDerWaalsContact O-N 3.09Å; E543-R545 VanDerWaalsContact C-N 3.33Å
546M56.4Low65.8Low80 Ų8069.4 Ų69.439%0.39434%0.344SS..  trans-96.87.7-175.5-57.8-132.678.200114.9Y504 L541 S544Y504-M546 HydrophobicContact CE1-CB 4.23Å; L541-M546 PolarHBondContact O-N 3.15Å; L541-M546 VanDerWaalsContact O-N 3.14Å; S544-M546 VanDerWaalsContact C-N 3.33Å; S544-M546 WeakPolarHBondContact O-CG 3.36Å; S544-M546 PolarHBondContact O-N 3.05Å
547V56.3Low65.8Low28 Ų2871.9 Ų71.917%0.1735%0.348CS..SBendtrans-111.6130.4-172.9-175.30000111.9L541 I542 I551L541-V547 HydrophobicContact CB-CG2 3.64Å; I542-V547 HydrophobicContact CG1-CG2 4.26Å; V547-I551 HydrophobicContact CG1-CB 4.21Å; V547-I551 HydrophobicContact CG1-CD1 4.35Å
548S59.9Low65.6Low41 Ų4174.9 Ų74.929%0.28736%0.358SS..  trans-70.9143.3177.2600000113.3Q513 E550 I551Q513-S548 PolarHBondContact NE2-OG 3.23Å; S548-E550 PolarHBondContact O-N 3.26Å; S548-E550 VanDerWaalsContact O-N 3.09Å; S548-I551 PolarHBondContact O-N 2.81Å
549T61.5Low65.3Low120 Ų12074.8 Ų74.874%0.73636%0.358SS*.Hα-helixtrans-57.1-24.6-176.348.50000115.1I551 R553T549-I551 PolarHBondContact O-N 2.92Å; T549-R553 PolarHBondContact O-N 3.41Å
550E59.4Low65.2Low135 Ų13574.2 Ų74.263%0.63137%0.365SS*.Hα-helixtrans-64.9-35.4177.5-79.2178.9141.400113.9S548 R553 S554S548-E550 PolarHBondContact O-N 3.26Å; S548-E550 VanDerWaalsContact O-N 3.09Å; E550-R553 WeakPolarHBondContact O-CB 3.34Å; E550-R553 PolarHBondContact O-N 3.23Å; E550-S554 PolarHBondContact O-N 3.37Å
551I61.9Low65.1Low9 Ų978 Ų785%0.04638%0.375CS..Hα-helixtrans-72.4-41-177.2-56.7-178000109.9A516 L520 V547 S548 T549 R553 S554 A555A516-I551 HydrophobicContact CB-CD1 3.35Å; L520-I551 HydrophobicContact CD1-CG2 4.49Å; L520-I551 HydrophobicContact CD2-CG2 4.45Å; V547-I551 HydrophobicContact CG1-CB 4.21Å; V547-I551 HydrophobicContact CG1-CD1 4.35Å; S548-I551 PolarHBondContact O-N 2.81Å; T549-I551 PolarHBondContact O-N 2.92Å; I551-R553 PolarHBondContact O-N 2.97Å; I551-S554 PolarHBondContact O-N 2.94Å; I551-S554 VanDerWaalsContact O-N 3.14Å; I551-S554 PolarHBondContact O-OG 3.28Å; I551-A555 PolarHBondContact O-N 3.22Å
552L63.7Low64.9Low58 Ų5879.2 Ų79.230%0.30438%0.381SS..Hα-helixtrans-56.7-40.2169.6-80.4159.8000111.2I542 S554 A555 D556I542-L552 HydrophobicContact CD1-CD2 4.34Å; L552-S554 PolarHBondContact O-N 3.24Å; L552-A555 WeakPolarHBondContact O-CB 3.39Å; L552-A555 PolarHBondContact O-N 3.17Å; L552-D556 WeakPolarHBondContact O-CB 3.09Å; L552-D556 PolarHBondContact O-N 3.46Å
553R69.4Low65Low170 Ų17077.7 Ų77.764%0.64237%0.372SS*.Hα-helixtrans-65.2-38.5176.5-147.9-176.695.8124.30.5112.8T549 E550 I551 D556 Q557T549-R553 PolarHBondContact O-N 3.41Å; E550-R553 WeakPolarHBondContact O-CB 3.34Å; E550-R553 PolarHBondContact O-N 3.23Å; I551-R553 PolarHBondContact O-N 2.97Å; R553-D556 PolarHBondContact O-N 3.23Å; R553-Q557 WeakPolarHBondContact O-CG 3.31Å; R553-Q557 PolarHBondContact O-N 3.23Å
554S69.7Low65Low30 Ų3075.3 Ų75.321%0.2138%0.38CS..Hα-helixtrans-67.5-36.8176.379.10000112.4L520 E550 I551 L552 R558L520-S554 WeakPolarHBondContact CD2-OG 3.46Å; E550-S554 PolarHBondContact O-N 3.37Å; I551-S554 PolarHBondContact O-N 2.94Å; I551-S554 VanDerWaalsContact O-N 3.14Å; I551-S554 PolarHBondContact O-OG 3.28Å; L552-S554 PolarHBondContact O-N 3.24Å; S554-R558 PolarHBondContact O-N 3.37Å; S554-R558 VanDerWaalsContact O-N 3.16Å
555A63.8Low65Low1 Ų174.8 Ų74.81%0.00838%0.376CS..Hα-helixtrans-65-44.7173.200000110.8L520 I551 L552 Q557 R558 L559 L580 C584L520-A555 HydrophobicContact CD1-CB 3.84Å; L520-A555 HydrophobicContact CD2-CB 4.08Å; I551-A555 PolarHBondContact O-N 3.22Å; L552-A555 WeakPolarHBondContact O-CB 3.39Å; L552-A555 PolarHBondContact O-N 3.17Å; A555-Q557 PolarHBondContact O-N 3.23Å; A555-R558 PolarHBondContact O-N 3.16Å; A555-R558 VanDerWaalsContact O-N 3.16Å; A555-L559 WeakPolarHBondContact O-CB 3.48Å; A555-L559 PolarHBondContact O-N 3.05Å; A555-L580 HydrophobicContact CB-CD2 4.18Å; A555-C584 VanDerWaalsContact CB-SG 3.59Å
556D67.8Low65.1Low59 Ų5963.9 Ų63.932%0.31634%0.336SS..Hα-helixtrans-63.7-37.8178.1-140.430.7000112.3L552 R553 L559 S560 S586L552-D556 WeakPolarHBondContact O-CB 3.09Å; L552-D556 PolarHBondContact O-N 3.46Å; R553-D556 PolarHBondContact O-N 3.23Å; D556-L559 WeakPolarHBondContact O-CB 3.23Å; D556-L559 PolarHBondContact O-N 3.46Å; D556-S560 PolarHBondContact O-N 3.43Å; D556-S560 PolarHBondContact O-OG 3.45Å; D556-S586 VanDerWaalsContact OD1-CB 3.29Å; D556-S586 WeakPolarHBondContact OD1-CB 3.12Å; D556-S586 PolarHBondContact OD1-OG 3.29Å
557Q74.2Confident65.3Low98 Ų9869 Ų6946%0.45835%0.35SS..Hα-helixtrans-64.2-38.7172.4-80.1-175.4-9.800113R553 A555 S560 R561R553-Q557 WeakPolarHBondContact O-CG 3.31Å; R553-Q557 PolarHBondContact O-N 3.23Å; A555-Q557 PolarHBondContact O-N 3.23Å; Q557-S560 PolarHBondContact O-N 3.47Å; Q557-R561 PolarHBondContact O-N 3.32Å
558R67.4Low65.7Low73 Ų7376.2 Ų76.228%0.27538%0.38SS..Hα-helixtrans-69-41.8174.9-76.6-176.8-165.4-171.23.1111.8N521 S554 A555 S560 R561 L562N521-R558 PolarHBondContact OD1-NH1 2.93Å; N521-R558 PolarHBondContact OD1-NH2 3.47Å; S554-R558 PolarHBondContact O-N 3.37Å; S554-R558 VanDerWaalsContact O-N 3.16Å; A555-R558 PolarHBondContact O-N 3.16Å; A555-R558 VanDerWaalsContact O-N 3.16Å; R558-S560 VanDerWaalsContact C-N 3.26Å; R558-S560 PolarHBondContact O-N 2.73Å; R558-R561 WeakPolarHBondContact O-CB 3.43Å; R558-R561 PolarHBondContact O-N 3.44Å; R558-L562 PolarHBondContact O-N 3.05Å
559L68.9Low66.1Low1 Ų174.8 Ų74.81%0.00537%0.368CS..Hα-helixtrans-54.5-44.9173.9-125.1162.4000111A555 D556 R561 L562 Y563 L580 I581 C584A555-L559 WeakPolarHBondContact O-CB 3.48Å; A555-L559 PolarHBondContact O-N 3.05Å; D556-L559 WeakPolarHBondContact O-CB 3.23Å; D556-L559 PolarHBondContact O-N 3.46Å; L559-R561 VanDerWaalsContact C-N 3.32Å; L559-R561 PolarHBondContact O-N 2.9Å; L559-L562 PolarHBondContact O-N 3.43Å; L559-Y563 HydrophobicContact CD2-CD2 4.23Å; L559-Y563 HydrophobicContact CD2-CE1 3.78Å; L559-Y563 HydrophobicContact CD2-CE2 3.4Å; L559-Y563 VanDerWaalsContact CD2-CE2 3.4Å; L559-Y563 WeakPolarHBondContact CD2-OH 3.45Å; L559-Y563 WeakPolarHBondContact O-CD2 3.5Å; L559-Y563 PolarHBondContact O-N 3.13Å; L559-L580 HydrophobicContact CD1-CB 3.59Å; L559-L580 HydrophobicContact CG-CB 3.8Å; L559-L580 HydrophobicContact CG-CD1 4.48Å; L559-I581 HydrophobicContact CD1-CG1 4.14Å; L559-I581 HydrophobicContact CD2-CD1 4.45Å; L559-I581 HydrophobicContact CD2-CG1 3.83Å; L559-C584 HydrophobicContact CD1-CB 4.23Å
560S70.7Confident66.4Low75 Ų7571.4 Ų71.452%0.52435%0.349SS..Hα-helixtrans-61.2-35.1176.2-570000113.5D556 Q557 R558D556-S560 PolarHBondContact O-N 3.43Å; D556-S560 PolarHBondContact O-OG 3.45Å; Q557-S560 PolarHBondContact O-N 3.47Å; R558-S560 VanDerWaalsContact C-N 3.26Å; R558-S560 PolarHBondContact O-N 2.73Å
561R71.5Confident66.7Low189 Ų18966.6 Ų66.671%0.71333%0.328SS*.Hα-helixtrans-71.1-41.7174.7-70.2-177.8-165.4153.54.8112.2Q557 R558 L559 Y563 G564Q557-R561 PolarHBondContact O-N 3.32Å; R558-R561 WeakPolarHBondContact O-CB 3.43Å; R558-R561 PolarHBondContact O-N 3.44Å; L559-R561 VanDerWaalsContact C-N 3.32Å; L559-R561 PolarHBondContact O-N 2.9Å; R561-Y563 VanDerWaalsContact C-N 3.26Å; R561-Y563 PolarHBondContact O-N 3.43Å; R561-G564 PolarHBondContact O-N 2.65Å
562L66.1Low67.1Low28 Ų2870.7 Ų70.715%0.14735%0.345CS..Hα-helixtrans-65.5-29.6178.2-72.4166.3000112.1R558 L559 G564 S565 W569 E573 Q576 V577 L580R558-L562 PolarHBondContact O-N 3.05Å; L559-L562 PolarHBondContact O-N 3.43Å; L562-G564 PolarHBondContact O-N 2.86Å; L562-S565 PolarHBondContact O-N 3.39Å; L562-S565 PolarHBondContact O-OG 3.06Å; L562-S565 VanDerWaalsContact O-OG 3.1Å; L562-W569 PolarHBondContact O-NE1 3.48Å; L562-E573 HydrophobicContact CD2-CG 4.44Å; L562-Q576 HydrophobicContact CD1-CB 4.42Å; L562-V577 HydrophobicContact CB-CG2 3.96Å; L562-V577 HydrophobicContact CD1-CG2 4.14Å; L562-L580 HydrophobicContact CD1-CD1 3.91Å
563Y68.8Low67.3Low24 Ų2470.4 Ų70.49%0.09434%0.343CS..G310 helixtrans-66.6-17.7169.7-68.5-34.9000114.4L559 R561 V566 W569 V577 I581 M588 V592L559-Y563 HydrophobicContact CD2-CD2 4.23Å; L559-Y563 HydrophobicContact CD2-CE1 3.78Å; L559-Y563 HydrophobicContact CD2-CE2 3.4Å; L559-Y563 VanDerWaalsContact CD2-CE2 3.4Å; L559-Y563 WeakPolarHBondContact CD2-OH 3.45Å; L559-Y563 WeakPolarHBondContact O-CD2 3.5Å; L559-Y563 PolarHBondContact O-N 3.13Å; R561-Y563 VanDerWaalsContact C-N 3.26Å; R561-Y563 PolarHBondContact O-N 3.43Å; Y563-V566 VanDerWaalsContact O-CG2 3.29Å; Y563-V566 WeakPolarHBondContact O-CG2 3.48Å; Y563-W569 HydrophobicContact CD1-CZ2 4.4Å; Y563-V577 HydrophobicContact CE1-CG1 4.17Å; Y563-I581 WeakPolarHBondContact OH-CD1 3.4Å; Y563-I581 WeakPolarHBondContact OH-CG1 3.28Å; Y563-M588 HydrophobicContact CD1-SD 3.93Å; Y563-M588 HydrophobicContact CE1-CE 4.35Å; Y563-M588 HydrophobicContact CE1-CG 3.78Å; Y563-M588 HydrophobicContact CE1-SD 3.28Å; Y563-M588 WeakPolarHBondContact CE1-SD 3.35Å; Y563-M588 HydrophobicContact CE2-CG 3.72Å; Y563-M588 HydrophobicContact CE2-SD 4.17Å; Y563-M588 WeakPolarHBondContact OH-CG 3.45Å; Y563-V592 HydrophobicContact CD1-CG1 3.68Å; Y563-V592 HydrophobicContact CE1-CG1 4.35Å; Y563-V592 HydrophobicContact CG-CG1 3.79Å
564G67.3Low67.4Low72 Ų7262.4 Ų62.474%0.74231%0.313SS*.G310 helixtrans-76.5-18175.100000114.5R561 L562R561-G564 PolarHBondContact O-N 2.65Å; L562-G564 PolarHBondContact O-N 2.86Å
565S62.6Low67.5Low44 Ų4463.4 Ų63.431%0.30831%0.312SS..G310 helixtrans-106.515.1-170.766.10000115.5L562 R567 K568 W569L562-S565 PolarHBondContact O-N 3.39Å; L562-S565 PolarHBondContact O-OG 3.06Å; L562-S565 VanDerWaalsContact O-OG 3.1Å; S565-R567 PolarHBondContact O-N 2.86Å; S565-K568 PolarHBondContact O-N 3.42Å; S565-W569 PolarHBondContact OG-NE1 3.1Å
566V59.5Low67.9Low7 Ų764 Ų644%0.04231%0.314CS..G310 helixtrans-46.3-29.1-170.9178.40000114.8Y563 K568 W569 I596 Y599Y563-V566 VanDerWaalsContact O-CG2 3.29Å; Y563-V566 WeakPolarHBondContact O-CG2 3.48Å; V566-K568 VanDerWaalsContact C-N 3.31Å; V566-K568 PolarHBondContact O-N 3.24Å; V566-W569 HydrophobicContact CG2-CH2 4.4Å; V566-W569 HydrophobicContact CG2-CZ2 3.81Å; V566-I596 HydrophobicContact CG1-CG1 3.85Å; V566-I596 HydrophobicContact CG2-CG1 4.24Å; V566-Y599 HydrophobicContact CG1-CG 4.33Å; V566-Y599 WeakPolarHBondContact O-CD2 3.13Å
567R60.4Low68.1Low186 Ų18661.2 Ų61.270%0.70230%0.299SS*.G310 helixtrans-72.6-10.4179.1-67.6-173.2178.5-176.81.6115.6S565S565-R567 PolarHBondContact O-N 2.86Å
568K65.4Low68.1Low181 Ų18157 Ų5779%0.78728%0.28SS*.G310 helixtrans-130.620.3-174.9-76.8-169.3175.7-175.50114.5S565 V566 S570S565-K568 PolarHBondContact O-N 3.42Å; V566-K568 VanDerWaalsContact C-N 3.31Å; V566-K568 PolarHBondContact O-N 3.24Å; K568-S570 PolarHBondContact O-N 3.31Å
569W67.5Low68.3Low10 Ų1054.8 Ų54.84%0.03827%0.272CS..  trans-59.6124-174.7-77.5-2.8000113.5L562 Y563 S565 V566 E573 V574 V577 I596 V630 I633L562-W569 PolarHBondContact O-NE1 3.48Å; Y563-W569 HydrophobicContact CD1-CZ2 4.4Å; S565-W569 PolarHBondContact OG-NE1 3.1Å; V566-W569 HydrophobicContact CG2-CH2 4.4Å; V566-W569 HydrophobicContact CG2-CZ2 3.81Å; W569-E573 WeakPolarHBondContact CA-OE2 3.43Å; W569-V574 HydrophobicContact CB-CG2 4.01Å; W569-V574 HydrophobicContact CE3-CG2 4.06Å; W569-V577 HydrophobicContact CH2-CG1 4.41Å; W569-V577 HydrophobicContact CZ2-CG2 4.27Å; W569-I596 HydrophobicContact CH2-CD1 3.77Å; W569-I596 HydrophobicContact CH2-CG1 4.05Å; W569-I596 HydrophobicContact CZ3-CD1 4.25Å; W569-I596 HydrophobicContact CZ3-CG1 4.29Å; W569-V630 HydrophobicContact CE3-CG2 4.06Å; W569-V630 HydrophobicContact CZ3-CG2 4.34Å; W569-I633 HydrophobicContact CH2-CD1 4.24Å; W569-I633 HydrophobicContact CZ3-CD1 3.81Å
570S68.4Low68.6Low49 Ų4954.7 Ų54.734%0.34327%0.271SS..  trans-93.4162.6169.8660000111K568 K572 E573 V574K568-S570 PolarHBondContact O-N 3.31Å; S570-K572 PolarHBondContact O-N 3.43Å; S570-E573 PolarHBondContact O-N 3.44Å; S570-E573 PolarHBondContact OG-OE1 2.69Å; S570-V574 PolarHBondContact O-N 3.43Å
571L66.7Low68.7Low35 Ų3551.3 Ų51.318%0.18325%0.247CC..Hα-helixtrans-51-33.9178-160.586000113.2R575 K625 V626L571-R575 WeakPolarHBondContact O-CG 3.26Å; L571-R575 PolarHBondContact O-N 3.13Å; L571-R575 VanDerWaalsContact O-N 3.17Å; L571-K625 HydrophobicContact CD1-CB 3.32Å; L571-K625 HydrophobicContact CD2-CD 4.47Å; L571-V626 HydrophobicContact CB-CG2 4.04Å; L571-V626 HydrophobicContact CD1-CB 4.39Å; L571-V626 HydrophobicContact CD1-CG2 3.67Å; L571-V626 VanDerWaalsContact CD1-N 3.32Å
572K68.5Low68.7Low94 Ų9445.1 Ų45.141%0.40923%0.226SC..Hα-helixtrans-66-47.3178.6-151.6-174-168.4-176.50111.4S570 Q576S570-K572 PolarHBondContact O-N 3.43Å; K572-Q576 VanDerWaalsContact O-CG 3.24Å; K572-Q576 WeakPolarHBondContact O-CG 3.39Å; K572-Q576 PolarHBondContact O-N 3.44Å; K572-Q576 VanDerWaalsContact O-N 3.08Å
573E69.5Low68.8Low53 Ų5344.3 Ų44.325%0.24822%0.222CC..Hα-helixtrans-68.2-40.7178.8-69.9168.3-15100111.2L562 W569 S570 R575 Q576 V577L562-E573 HydrophobicContact CD2-CG 4.44Å; W569-E573 WeakPolarHBondContact CA-OE2 3.43Å; S570-E573 PolarHBondContact O-N 3.44Å; S570-E573 PolarHBondContact OG-OE1 2.69Å; E573-R575 PolarHBondContact O-N 3.49Å; E573-Q576 WeakPolarHBondContact O-CB 3.32Å; E573-Q576 PolarHBondContact O-N 2.62Å; E573-V577 VanDerWaalsContact O-CG2 3.27Å; E573-V577 WeakPolarHBondContact O-CG2 3.18Å; E573-V577 PolarHBondContact O-N 2.85Å
574V70.9Confident68.6Low2 Ų244.2 Ų44.21%0.01223%0.225CC..Hα-helixtrans-61.7-45.1177.7176.70000111.4W569 S570 V577 N578 V626 V630 I633W569-V574 HydrophobicContact CB-CG2 4.01Å; W569-V574 HydrophobicContact CE3-CG2 4.06Å; S570-V574 PolarHBondContact O-N 3.43Å; V574-V577 PolarHBondContact O-N 3.32Å; V574-N578 WeakPolarHBondContact O-CB 3.28Å; V574-N578 PolarHBondContact O-N 3.37Å; V574-V626 HydrophobicContact CG2-CG1 4.19Å; V574-V630 HydrophobicContact CG1-CG2 4.1Å; V574-V630 HydrophobicContact CG2-CG2 3.87Å; V574-I633 HydrophobicContact CG1-CD1 3.99Å
575R71.2Confident68.2Low51 Ų5150.7 Ų50.719%0.19223%0.227CC..Hα-helixtrans-64.8-41175.2-74.8177.2-173.4170.4-8112.6E528 L571 E573 V577 N578 Y579E528-R575 VanDerWaalsContact CG-NH1 3.27Å; E528-R575 IonicContact OE1-CZ 3.82Å; E528-R575 IonicContact OE1-NH1 3.35Å; E528-R575 IonicContact OE1-NH2 3.99Å; E528-R575 PolarHBondContact OE1-NH2 2.86Å; E528-R575 IonicContact OE2-CZ 3.89Å; E528-R575 VanDerWaalsContact OE2-CZ 3.26Å; E528-R575 IonicContact OE2-NH1 3.69Å; E528-R575 PolarHBondContact OE2-NH1 3.37Å; E528-R575 IonicContact OE2-NH2 2.86Å; E528-R575 PolarHBondContact OE2-NH2 3.39Å; L571-R575 WeakPolarHBondContact O-CG 3.26Å; L571-R575 PolarHBondContact O-N 3.13Å; L571-R575 VanDerWaalsContact O-N 3.17Å; E573-R575 PolarHBondContact O-N 3.49Å; R575-V577 VanDerWaalsContact C-N 3.34Å; R575-V577 PolarHBondContact O-N 3.09Å; R575-N578 WeakPolarHBondContact O-CB 3.37Å; R575-N578 PolarHBondContact O-N 3.39Å; R575-N578 VanDerWaalsContact O-N 3.17Å; R575-Y579 HydrophobicContact CB-CD2 4.43Å; R575-Y579 HydrophobicContact CB-CE2 4.1Å; R575-Y579 WeakPolarHBondContact O-CD2 3.38Å; R575-Y579 PolarHBondContact O-N 3.41Å
576Q72Confident67.9Low13 Ų1349.9 Ų49.96%0.06122%0.221CC..Hα-helixtrans-59.1-46.8175.7-76.2173.19.300111.4V524 L562 K572 E573 N578 Y579 L580V524-Q576 VanDerWaalsContact C-NE2 3.25Å; V524-Q576 PolarHBondContact O-NE2 2.92Å; L562-Q576 HydrophobicContact CD1-CB 4.42Å; K572-Q576 VanDerWaalsContact O-CG 3.24Å; K572-Q576 WeakPolarHBondContact O-CG 3.39Å; K572-Q576 PolarHBondContact O-N 3.44Å; K572-Q576 VanDerWaalsContact O-N 3.08Å; E573-Q576 WeakPolarHBondContact O-CB 3.32Å; E573-Q576 PolarHBondContact O-N 2.62Å; Q576-N578 VanDerWaalsContact C-N 3.29Å; Q576-N578 PolarHBondContact O-N 2.86Å; Q576-Y579 PolarHBondContact O-N 3.06Å; Q576-L580 VanDerWaalsContact O-CB 3.26Å; Q576-L580 WeakPolarHBondContact O-CB 3.26Å; Q576-L580 WeakPolarHBondContact O-CG 3.35Å; Q576-L580 PolarHBondContact O-N 2.61Å
577V72.8Confident67.7Low0 Ų055.9 Ų55.90%025%0.249CC..Hα-helixtrans-60.1-43.4175.4173.80000109.9L562 Y563 W569 E573 V574 R575 L580 I581 I633L562-V577 HydrophobicContact CB-CG2 3.96Å; L562-V577 HydrophobicContact CD1-CG2 4.14Å; Y563-V577 HydrophobicContact CE1-CG1 4.17Å; W569-V577 HydrophobicContact CH2-CG1 4.41Å; W569-V577 HydrophobicContact CZ2-CG2 4.27Å; E573-V577 VanDerWaalsContact O-CG2 3.27Å; E573-V577 WeakPolarHBondContact O-CG2 3.18Å; E573-V577 PolarHBondContact O-N 2.85Å; V574-V577 PolarHBondContact O-N 3.32Å; R575-V577 VanDerWaalsContact C-N 3.34Å; R575-V577 PolarHBondContact O-N 3.09Å; V577-L580 PolarHBondContact O-N 3.44Å; V577-I581 HydrophobicContact CG1-CD1 3.44Å; V577-I581 VanDerWaalsContact CG1-CD1 3.44Å; V577-I581 HydrophobicContact CG1-CG1 4.19Å; V577-I581 WeakPolarHBondContact O-CB 3.31Å; V577-I581 WeakPolarHBondContact O-CG1 3.35Å; V577-I581 PolarHBondContact O-N 3.39Å; V577-I633 HydrophobicContact CB-CD1 4Å; V577-I633 HydrophobicContact CG1-CD1 3.62Å; V577-I633 HydrophobicContact CG1-CG1 4.07Å; V577-I633 HydrophobicContact CG1-CG2 4.36Å
578N74Confident67.7Low9 Ų947.4 Ų47.45%0.04822%0.217CC..Hα-helixtrans-61.9-47.5180-135.610.6000113V574 R575 Q576 Q582 E632 I633 H636V574-N578 WeakPolarHBondContact O-CB 3.28Å; V574-N578 PolarHBondContact O-N 3.37Å; R575-N578 WeakPolarHBondContact O-CB 3.37Å; R575-N578 PolarHBondContact O-N 3.39Å; R575-N578 VanDerWaalsContact O-N 3.17Å; Q576-N578 VanDerWaalsContact C-N 3.29Å; Q576-N578 PolarHBondContact O-N 2.86Å; N578-Q582 PolarHBondContact O-N 3.37Å; N578-E632 PolarHBondContact ND2-OE2 2.91Å; N578-I633 HydrophobicContact CB-CG1 4.28Å; N578-I633 VanDerWaalsContact OD1-CA 3.32Å; N578-I633 WeakPolarHBondContact OD1-CA 3.49Å; N578-I633 PolarHBondContact OD1-N 3.03Å; N578-H636 PolarHBondContact OD1-CD2 3.49Å
579Y72.3Confident67.9Low27 Ų2742.3 Ų42.311%0.10620%0.202CC..Hα-helixtrans-67.1-42.3177.2-66.1-41.5000112.3Q531 K532 F535 R575 Q576 Q582 L583Q531-Y579 HydrophobicContact CB-CD2 4.32Å; Q531-Y579 HydrophobicContact CB-CE2 3.92Å; K532-Y579 WeakPolarHBondContact CG-OH 3.4Å; F535-Y579 HydrophobicContact CB-CD1 3.89Å; F535-Y579 HydrophobicContact CB-CE1 4.38Å; F535-Y579 HydrophobicContact CB-CG 4.01Å; F535-Y579 AromaticContact CD1-CD1 3.59Å; F535-Y579 HydrophobicContact CD1-CD1 3.59Å; F535-Y579 AromaticContact CD1-CE1 3.92Å; F535-Y579 HydrophobicContact CD1-CE1 3.92Å; F535-Y579 HydrophobicContact CD1-CG 4.47Å; F535-Y579 AromaticContact CD2-CD1 3.67Å; F535-Y579 HydrophobicContact CD2-CD1 3.67Å; F535-Y579 AromaticContact CD2-CG 3.89Å; F535-Y579 HydrophobicContact CD2-CG 3.89Å; F535-Y579 HydrophobicContact CE1-CD1 4.07Å; F535-Y579 HydrophobicContact CE1-CE1 4.49Å; F535-Y579 HydrophobicContact CE2-CD1 4.12Å; F535-Y579 VanDerWaalsContact CE2-O 3.24Å; F535-Y579 WeakPolarHBondContact CE2-O 3.48Å; F535-Y579 AromaticContact CG-CD1 3.38Å; F535-Y579 HydrophobicContact CG-CD1 3.38Å; F535-Y579 HydrophobicContact CG-CE1 4.07Å; F535-Y579 AromaticContact CG-CG 3.84Å; F535-Y579 HydrophobicContact CG-CG 3.84Å; F535-Y579 HydrophobicContact CZ-CD1 4.33Å; R575-Y579 HydrophobicContact CB-CD2 4.43Å; R575-Y579 HydrophobicContact CB-CE2 4.1Å; R575-Y579 WeakPolarHBondContact O-CD2 3.38Å; R575-Y579 PolarHBondContact O-N 3.41Å; Q576-Y579 PolarHBondContact O-N 3.06Å; Y579-Q582 PolarHBondContact O-N 2.79Å; Y579-L583 WeakPolarHBondContact O-CG 3.42Å; Y579-L583 PolarHBondContact O-N 3.2Å
580L74.9Confident67.6Low0 Ų044.6 Ų44.60%022%0.218CC..Hα-helixtrans-66.8-36.9178.7-71.4169.4000112.2A555 L559 L562 Q576 V577 L583 C584A555-L580 HydrophobicContact CB-CD2 4.18Å; L559-L580 HydrophobicContact CD1-CB 3.59Å; L559-L580 HydrophobicContact CG-CB 3.8Å; L559-L580 HydrophobicContact CG-CD1 4.48Å; L562-L580 HydrophobicContact CD1-CD1 3.91Å; Q576-L580 VanDerWaalsContact O-CB 3.26Å; Q576-L580 WeakPolarHBondContact O-CB 3.26Å; Q576-L580 WeakPolarHBondContact O-CG 3.35Å; Q576-L580 PolarHBondContact O-N 2.61Å; V577-L580 PolarHBondContact O-N 3.44Å; L580-L583 PolarHBondContact O-N 2.54Å; L580-C584 PolarHBondContact O-N 3.23Å
581I72.8Confident67.6Low4 Ų445.3 Ų45.32%0.02123%0.226CC..Hα-helixtrans-65.3-42.1177.1-73.1170.6000111.1L559 Y563 V577 L583 R585 I633 H636 L637L559-I581 HydrophobicContact CD1-CG1 4.14Å; L559-I581 HydrophobicContact CD2-CD1 4.45Å; L559-I581 HydrophobicContact CD2-CG1 3.83Å; Y563-I581 WeakPolarHBondContact OH-CD1 3.4Å; Y563-I581 WeakPolarHBondContact OH-CG1 3.28Å; V577-I581 HydrophobicContact CG1-CD1 3.44Å; V577-I581 VanDerWaalsContact CG1-CD1 3.44Å; V577-I581 HydrophobicContact CG1-CG1 4.19Å; V577-I581 WeakPolarHBondContact O-CB 3.31Å; V577-I581 WeakPolarHBondContact O-CG1 3.35Å; V577-I581 PolarHBondContact O-N 3.39Å; I581-L583 PolarHBondContact O-N 2.96Å; I581-R585 PolarHBondContact O-N 2.89Å; I581-I633 HydrophobicContact CD1-CG2 3.55Å; I581-H636 HydrophobicContact CG2-CB 4Å; I581-L637 HydrophobicContact CG2-CD2 4.26Å
582Q71.2Confident67.6Low58 Ų5844.7 Ų44.727%0.27122%0.224SC..Hα-helixtrans-63.2-30.5175.7-76.7-169.537.800112.5F535 N578 Y579 H636F535-Q582 HydrophobicContact CE2-CB 3.69Å; F535-Q582 HydrophobicContact CZ-CB 3.61Å; F535-Q582 HydrophobicContact CZ-CG 4.26Å; N578-Q582 PolarHBondContact O-N 3.37Å; Y579-Q582 PolarHBondContact O-N 2.79Å; Q582-H636 HydrophobicContact CG-CB 3.81Å; Q582-H636 PolarHBondContact NE2-CD2 3.22Å; Q582-H636 PolarHBondContact NE2-CE1 2.69Å; Q582-H636 PolarHBondContact NE2-ND1 3.1Å; Q582-H636 VanDerWaalsContact NE2-ND1 3.11Å; Q582-H636 PolarHBondContact NE2-NE2 3.09Å
583L68.6Low67.6Low11 Ų1140.4 Ų40.46%0.05821%0.205CC..Hα-helixtrans-76.5-45.3177.7-68.8166.2000112.7F535 L538 I542 Y579 L580 I581F535-L583 HydrophobicContact CD2-CD1 4.12Å; F535-L583 HydrophobicContact CD2-CD2 4.3Å; F535-L583 HydrophobicContact CD2-CG 4.03Å; F535-L583 HydrophobicContact CE2-CD1 4.43Å; F535-L583 HydrophobicContact CE2-CD2 4.14Å; F535-L583 HydrophobicContact CE2-CG 3.86Å; L538-L583 HydrophobicContact CB-CD1 4.4Å; L538-L583 HydrophobicContact CB-CD2 3.71Å; L538-L583 HydrophobicContact CD1-CD1 4.3Å; I542-L583 HydrophobicContact CD1-CB 4.21Å; I542-L583 HydrophobicContact CD1-CD2 3.44Å; I542-L583 VanDerWaalsContact CD1-CD2 3.44Å; I542-L583 HydrophobicContact CD1-CG 4.42Å; Y579-L583 WeakPolarHBondContact O-CG 3.42Å; Y579-L583 PolarHBondContact O-N 3.2Å; L580-L583 PolarHBondContact O-N 2.54Å; I581-L583 PolarHBondContact O-N 2.96Å
584C64.9Low67.7Low23 Ų2343 Ų4316%0.15522%0.217CC..Hα-helixtrans-85.4-21.6-169.7-65.20000115.1A555 L559 L580 S586A555-C584 VanDerWaalsContact CB-SG 3.59Å; L559-C584 HydrophobicContact CD1-CB 4.23Å; L580-C584 PolarHBondContact O-N 3.23Å; C584-S586 PolarHBondContact O-N 3.46Å
585R59.1Low67.7Low208 Ų20846.3 Ų46.379%0.78524%0.235SC*.  trans48.625-171.5-65.1-173.4179.2175.50.8114.2I581I581-R585 PolarHBondContact O-N 2.89Å
586S55.1Low67.7Low27 Ų2744 Ų4419%0.18923%0.226CC..PPolyproline II helixtrans-84.2145.7-176.2530000112.3D556 C584 M588D556-S586 VanDerWaalsContact OD1-CB 3.29Å; D556-S586 WeakPolarHBondContact OD1-CB 3.12Å; D556-S586 PolarHBondContact OD1-OG 3.29Å; C584-S586 PolarHBondContact O-N 3.46Å; S586-M588 PolarHBondContact O-N 2.85Å
587H54.8Low67.6Low133 Ų13343.8 Ų43.862%0.61623%0.226SC*.PPolyproline II helixtrans-71.7116.6178.8-63.3-81.6000109.8S639H587-S639 PolarHBondContact CE1-OG 3.19Å; H587-S639 PolarHBondContact ND1-OG 3.05Å
588M61.4Low67.6Low7 Ų749.8 Ų49.83%0.03425%0.254CS..PPolyproline II helixtrans-62.5128.3169.7-108.4-136.9-78.800110.1Y563 S586 V590 V592 Q593 I596 I633 L637Y563-M588 HydrophobicContact CD1-SD 3.93Å; Y563-M588 HydrophobicContact CE1-CE 4.35Å; Y563-M588 HydrophobicContact CE1-CG 3.78Å; Y563-M588 HydrophobicContact CE1-SD 3.28Å; Y563-M588 WeakPolarHBondContact CE1-SD 3.35Å; Y563-M588 HydrophobicContact CE2-CG 3.72Å; Y563-M588 HydrophobicContact CE2-SD 4.17Å; Y563-M588 WeakPolarHBondContact OH-CG 3.45Å; S586-M588 PolarHBondContact O-N 2.85Å; M588-V590 PolarHBondContact O-N 3.2Å; M588-V592 HydrophobicContact SD-CB 4.05Å; M588-V592 HydrophobicContact SD-CG1 3.6Å; M588-V592 VanDerWaalsContact SD-CG1 3.6Å; M588-Q593 HydrophobicContact CB-CG 3.92Å; M588-Q593 HydrophobicContact CE-CG 4.25Å; M588-Q593 PolarHBondContact O-NE2 3.21Å; M588-Q593 VanDerWaalsContact O-NE2 3.16Å; M588-Q593 HydrophobicContact SD-CG 4.45Å; M588-I596 HydrophobicContact CE-CD1 3.61Å; M588-I596 HydrophobicContact SD-CD1 3.88Å; M588-I633 HydrophobicContact CE-CG2 4.07Å; M588-L637 HydrophobicContact CB-CD2 3.8Å; M588-L637 HydrophobicContact CE-CD1 3.86Å; M588-L637 HydrophobicContact CE-CD2 4.35Å; M588-L637 HydrophobicContact CG-CD2 4Å
589P68.4Low67.6Low74 Ų7451.1 Ų51.148%0.48126%0.259SS..PPolyproline II helixtrans-58.9136.5174.7-18.829.2000110.9A591 V592 Q593P589-A591 PolarHBondContact O-N 3.16Å; P589-A591 VanDerWaalsContact O-N 3.1Å; P589-V592 HydrophobicContact CB-CG2 4.29Å; P589-V592 HydrophobicContact CG-CG2 4.31Å; P589-V592 WeakPolarHBondContact O-CB 3.47Å; P589-V592 PolarHBondContact O-N 3.25Å; P589-Q593 PolarHBondContact O-N 2.89Å
590V62.5Low67.4Low59 Ų5950.4 Ų50.436%0.35826%0.256SS..Hα-helixtrans-52.8-36.9-177.5-174.90000112.2M588 V592 Q593 Q594 D641M588-V590 PolarHBondContact O-N 3.2Å; V590-V592 VanDerWaalsContact C-N 3.31Å; V590-V592 PolarHBondContact O-N 3.36Å; V590-Q593 PolarHBondContact O-N 3.33Å; V590-Q594 WeakPolarHBondContact O-CG 3.21Å; V590-Q594 PolarHBondContact O-N 3.19Å; V590-D641 WeakPolarHBondContact CG1-OD2 3.39Å; V590-D641 WeakPolarHBondContact CG2-OD2 3.37Å
591A67.2Low67.1Low64 Ų6454.7 Ų54.753%0.52928%0.275SS..Hα-helixtrans-59.4-38176.100000113.3P589 L595P589-A591 PolarHBondContact O-N 3.16Å; P589-A591 VanDerWaalsContact O-N 3.1Å; A591-L595 WeakPolarHBondContact O-CB 3.41Å; A591-L595 PolarHBondContact O-N 3.36Å
592V67.7Low66.8Low21 Ų2160.6 Ų60.613%0.12730%0.3CS..Hα-helixtrans-74.8-40.3177.6-176.40000110.4Y563 M588 P589 V590 Q594 L595 I596Y563-V592 HydrophobicContact CD1-CG1 3.68Å; Y563-V592 HydrophobicContact CE1-CG1 4.35Å; Y563-V592 HydrophobicContact CG-CG1 3.79Å; M588-V592 HydrophobicContact SD-CB 4.05Å; M588-V592 HydrophobicContact SD-CG1 3.6Å; M588-V592 VanDerWaalsContact SD-CG1 3.6Å; P589-V592 HydrophobicContact CB-CG2 4.29Å; P589-V592 HydrophobicContact CG-CG2 4.31Å; P589-V592 WeakPolarHBondContact O-CB 3.47Å; P589-V592 PolarHBondContact O-N 3.25Å; V590-V592 VanDerWaalsContact C-N 3.31Å; V590-V592 PolarHBondContact O-N 3.36Å; V592-Q594 VanDerWaalsContact C-N 3.27Å; V592-Q594 PolarHBondContact O-N 3.19Å; V592-L595 PolarHBondContact O-N 3.31Å; V592-I596 HydrophobicContact CG1-CD1 4.07Å; V592-I596 WeakPolarHBondContact O-CG1 2.98Å; V592-I596 PolarHBondContact O-N 3.28Å
593Q68.5Low66.4Low5 Ų560 Ų602%0.02330%0.297CS..Hα-helixtrans-57.6-42.7174.1-57.3-174.26.800110.8M588 P589 V590 I596 V597 F634 T644M588-Q593 HydrophobicContact CB-CG 3.92Å; M588-Q593 HydrophobicContact CE-CG 4.25Å; M588-Q593 PolarHBondContact O-NE2 3.21Å; M588-Q593 VanDerWaalsContact O-NE2 3.16Å; M588-Q593 HydrophobicContact SD-CG 4.45Å; P589-Q593 PolarHBondContact O-N 2.89Å; V590-Q593 PolarHBondContact O-N 3.33Å; Q593-I596 PolarHBondContact O-N 3.38Å; Q593-V597 WeakPolarHBondContact O-CG2 3.12Å; Q593-V597 PolarHBondContact O-N 3.3Å; Q593-V597 VanDerWaalsContact O-N 3.1Å; Q593-F634 HydrophobicContact CB-CE1 4.38Å; Q593-T644 HydrophobicContact CB-CG2 3.89Å; Q593-T644 PolarHBondContact OE1-OG1 3.07Å
594Q70.9Confident66Low107 Ų10760.1 Ų60.150%0.530%0.298SS..Hα-helixtrans-67-40.1175.2-73.2-169.9-9.300113.2V590 V592 I596 V597 E598 T644V590-Q594 WeakPolarHBondContact O-CG 3.21Å; V590-Q594 PolarHBondContact O-N 3.19Å; V592-Q594 VanDerWaalsContact C-N 3.27Å; V592-Q594 PolarHBondContact O-N 3.19Å; Q594-I596 VanDerWaalsContact C-N 3.31Å; Q594-I596 PolarHBondContact O-N 3.47Å; Q594-V597 PolarHBondContact O-N 2.86Å; Q594-E598 PolarHBondContact O-N 2.93Å; Q594-T644 HydrophobicContact CG-CG2 4.4Å
595L71.6Confident65.9Low72 Ų7263 Ų6338%0.37732%0.315SS..Hα-helixtrans-61-37.2174.8-101.5154.4000112.8A591 V592 E598 Y599A591-L595 WeakPolarHBondContact O-CB 3.41Å; A591-L595 PolarHBondContact O-N 3.36Å; V592-L595 PolarHBondContact O-N 3.31Å; L595-E598 PolarHBondContact O-N 3.42Å; L595-Y599 WeakPolarHBondContact O-CB 3.23Å; L595-Y599 PolarHBondContact O-N 3.14Å
596I70.5Confident65.8Low1 Ų158 Ų581%0.00530%0.304CS..Hα-helixtrans-69.6-41.1175.4-66.1163.6000110.5V566 W569 M588 V592 Q593 Q594 E598 Y599 L600 V630 F634V566-I596 HydrophobicContact CG1-CG1 3.85Å; V566-I596 HydrophobicContact CG2-CG1 4.24Å; W569-I596 HydrophobicContact CH2-CD1 3.77Å; W569-I596 HydrophobicContact CH2-CG1 4.05Å; W569-I596 HydrophobicContact CZ3-CD1 4.25Å; W569-I596 HydrophobicContact CZ3-CG1 4.29Å; M588-I596 HydrophobicContact CE-CD1 3.61Å; M588-I596 HydrophobicContact SD-CD1 3.88Å; V592-I596 HydrophobicContact CG1-CD1 4.07Å; V592-I596 WeakPolarHBondContact O-CG1 2.98Å; V592-I596 PolarHBondContact O-N 3.28Å; Q593-I596 PolarHBondContact O-N 3.38Å; Q594-I596 VanDerWaalsContact C-N 3.31Å; Q594-I596 PolarHBondContact O-N 3.47Å; I596-E598 VanDerWaalsContact C-N 3.34Å; I596-Y599 WeakPolarHBondContact O-CB 3.21Å; I596-Y599 PolarHBondContact O-N 2.94Å; I596-L600 HydrophobicContact CG2-CD1 4.43Å; I596-L600 PolarHBondContact O-N 3.41Å; I596-V630 HydrophobicContact CG2-CG1 3.69Å; I596-F634 HydrophobicContact CB-CZ 4.08Å; I596-F634 HydrophobicContact CG2-CE2 3.63Å; I596-F634 HydrophobicContact CG2-CZ 3.66Å
597V69.8Low65.6Low10 Ų1060.4 Ų60.46%0.06131%0.313CS..Hα-helixtrans-63.7-40.6174.1172.30000110.9Q593 Q594 L600 K601 F634 T644 A647 L651Q593-V597 WeakPolarHBondContact O-CG2 3.12Å; Q593-V597 PolarHBondContact O-N 3.3Å; Q593-V597 VanDerWaalsContact O-N 3.1Å; Q594-V597 PolarHBondContact O-N 2.86Å; V597-L600 PolarHBondContact O-N 2.91Å; V597-K601 WeakPolarHBondContact O-CG 3.29Å; V597-K601 PolarHBondContact O-N 2.58Å; V597-F634 HydrophobicContact CG2-CZ 4.33Å; V597-T644 HydrophobicContact CG2-CG2 4.33Å; V597-A647 HydrophobicContact CG1-CB 3.86Å; V597-L651 HydrophobicContact CG1-CD1 4.06Å
598E72.7Confident65.3Low126 Ų12659 Ų5959%0.58931%0.307SS*.Hα-helixtrans-62.6-40.5172.1-99.6-169.4161.400112.3Q594 L595 I596 K601 K602Q594-E598 PolarHBondContact O-N 2.93Å; L595-E598 PolarHBondContact O-N 3.42Å; I596-E598 VanDerWaalsContact C-N 3.34Å; E598-K601 PolarHBondContact O-N 3.35Å; E598-K602 PolarHBondContact O-N 3.11Å
599Y74Confident64.8Low37 Ų3763 Ų6315%0.14534%0.335CS..Hα-helixtrans-61.2-46.3174.8176.1-101000111.2V566 L595 I596 K601 K602 F603V566-Y599 HydrophobicContact CG1-CG 4.33Å; V566-Y599 WeakPolarHBondContact O-CD2 3.13Å; L595-Y599 WeakPolarHBondContact O-CB 3.23Å; L595-Y599 PolarHBondContact O-N 3.14Å; I596-Y599 WeakPolarHBondContact O-CB 3.21Å; I596-Y599 PolarHBondContact O-N 2.94Å; Y599-K601 VanDerWaalsContact C-N 3.34Å; Y599-K601 PolarHBondContact O-N 2.75Å; Y599-K602 PolarHBondContact O-N 3.06Å; Y599-K602 VanDerWaalsContact O-N 3.16Å; Y599-F603 HydrophobicContact CE1-CD2 4.13Å; Y599-F603 HydrophobicContact CE2-CD2 4.39Å; Y599-F603 AromaticContact CZ-CD2 3.81Å; Y599-F603 WeakPolarHBondContact O-CB 3.4Å; Y599-F603 PolarHBondContact O-N 3.29Å; Y599-F603 WeakPolarHBondContact OH-CE2 3.4Å
600L67.8Low63.8Low11 Ų1163.9 Ų63.96%0.05834%0.336CS..Hα-helixtrans-59.8-42.4173.5-76.2166.3000111.6I596 V597 K602 F603 T604 L627 V630 L651I596-L600 HydrophobicContact CG2-CD1 4.43Å; I596-L600 PolarHBondContact O-N 3.41Å; V597-L600 PolarHBondContact O-N 2.91Å; L600-K602 VanDerWaalsContact C-N 3.32Å; L600-K602 PolarHBondContact O-N 3.46Å; L600-F603 PolarHBondContact O-N 3.23Å; L600-T604 WeakPolarHBondContact O-CG2 3.48Å; L600-T604 PolarHBondContact O-N 2.86Å; L600-T604 PolarHBondContact O-OG1 2.73Å; L600-T604 VanDerWaalsContact O-OG1 3.12Å; L600-L627 HydrophobicContact CD2-CG 4.38Å; L600-V630 HydrophobicContact CD1-CG1 4.13Å; L600-V630 HydrophobicContact CD2-CG1 4.3Å; L600-V630 HydrophobicContact CG-CG1 4.3Å; L600-L651 HydrophobicContact CB-CD1 3.8Å; L600-L651 HydrophobicContact CB-CD2 4.18Å
601K68.8Low63.1Low90 Ų9067.2 Ų67.239%0.39135%0.351SS..Hα-helixtrans-62.5-36.8174.6-78.2-169.5172.1-179.70112.6V597 E598 Y599 T604 V605 L651V597-K601 WeakPolarHBondContact O-CG 3.29Å; V597-K601 PolarHBondContact O-N 2.58Å; E598-K601 PolarHBondContact O-N 3.35Å; Y599-K601 VanDerWaalsContact C-N 3.34Å; Y599-K601 PolarHBondContact O-N 2.75Å; K601-T604 VanDerWaalsContact CA-OG1 3.26Å; K601-T604 WeakPolarHBondContact CA-OG1 3.31Å; K601-T604 PolarHBondContact O-OG1 2.9Å; K601-V605 WeakPolarHBondContact O-CG2 3.39Å; K601-V605 PolarHBondContact O-N 2.96Å; K601-L651 HydrophobicContact CB-CD1 4.41Å; K601-L651 HydrophobicContact CD-CD1 4.48Å; K601-L651 HydrophobicContact CG-CD1 3.44Å; K601-L651 VanDerWaalsContact CG-CD1 3.44Å; K601-L651 HydrophobicContact CG-CG 4.01Å
602K66.8Low62Low128 Ų12870.2 Ų70.256%0.55736%0.363SS*.Hα-helixtrans-69.7-43.5175.3-120.1178.6177.3-1800111.8E598 Y599 L600 T604 V605 D606E598-K602 PolarHBondContact O-N 3.11Å; Y599-K602 PolarHBondContact O-N 3.06Å; Y599-K602 VanDerWaalsContact O-N 3.16Å; L600-K602 VanDerWaalsContact C-N 3.32Å; L600-K602 PolarHBondContact O-N 3.46Å; K602-T604 VanDerWaalsContact C-N 3.28Å; K602-T604 PolarHBondContact O-N 3.33Å; K602-V605 WeakPolarHBondContact O-CB 3.4Å; K602-V605 PolarHBondContact O-N 2.91Å; K602-D606 PolarHBondContact O-N 3.45Å; K602-D606 VanDerWaalsContact O-N 3.08Å
603F64.2Low60.8Low45 Ų4574 Ų7420%0.19738%0.382CS..Hα-helixtrans-62.5-35178.4-144.1-85000112.2Y599 L600 V605 D606 M607 L627Y599-F603 HydrophobicContact CE1-CD2 4.13Å; Y599-F603 HydrophobicContact CE2-CD2 4.39Å; Y599-F603 AromaticContact CZ-CD2 3.81Å; Y599-F603 WeakPolarHBondContact O-CB 3.4Å; Y599-F603 PolarHBondContact O-N 3.29Å; Y599-F603 WeakPolarHBondContact OH-CE2 3.4Å; L600-F603 PolarHBondContact O-N 3.23Å; F603-V605 VanDerWaalsContact C-N 3.29Å; F603-V605 PolarHBondContact O-N 2.96Å; F603-D606 PolarHBondContact O-N 2.97Å; F603-M607 HydrophobicContact CD1-CG 4.49Å; F603-M607 PolarHBondContact O-N 3.42Å; F603-M607 VanDerWaalsContact O-N 3.09Å; F603-L627 HydrophobicContact CD1-CD1 3.69Å; F603-L627 HydrophobicContact CE1-CD1 3.84Å; F603-L627 HydrophobicContact CG-CD1 4.44Å
604T59.1Low59.6Low14 Ų1478.1 Ų78.19%0.08641%0.408CS..Hα-helixtrans-65-29.9173.140.80000114.1L600 K601 K602 L651 M655L600-T604 WeakPolarHBondContact O-CG2 3.48Å; L600-T604 PolarHBondContact O-N 2.86Å; L600-T604 PolarHBondContact O-OG1 2.73Å; L600-T604 VanDerWaalsContact O-OG1 3.12Å; K601-T604 VanDerWaalsContact CA-OG1 3.26Å; K601-T604 WeakPolarHBondContact CA-OG1 3.31Å; K601-T604 PolarHBondContact O-OG1 2.9Å; K602-T604 VanDerWaalsContact C-N 3.28Å; K602-T604 PolarHBondContact O-N 3.33Å; T604-L651 HydrophobicContact CG2-CD2 3.72Å; T604-M655 HydrophobicContact CG2-CE 3.61Å; T604-M655 HydrophobicContact CG2-CG 3.43Å; T604-M655 VanDerWaalsContact CG2-CG 3.43Å; T604-M655 HydrophobicContact CG2-SD 3.52Å; T604-M655 VanDerWaalsContact CG2-SD 3.52Å
605V62.3Low58.2Low83 Ų8377.6 Ų77.650%0.50342%0.421SS..Hα-helixtrans-77.8-38.4175.6176.50000110.3K601 K602 F603 M607 E608K601-V605 WeakPolarHBondContact O-CG2 3.39Å; K601-V605 PolarHBondContact O-N 2.96Å; K602-V605 WeakPolarHBondContact O-CB 3.4Å; K602-V605 PolarHBondContact O-N 2.91Å; F603-V605 VanDerWaalsContact C-N 3.29Å; F603-V605 PolarHBondContact O-N 2.96Å; V605-M607 VanDerWaalsContact C-N 3.34Å; V605-M607 PolarHBondContact O-N 3.02Å; V605-E608 PolarHBondContact O-N 3.37Å
606D57.1Low56.7Low103 Ų10377 Ų7755%0.55142%0.423SS*.Hα-helixtrans-66.4-33.3177.2-71-26.4000112.7K602 F603 E608 S609K602-D606 PolarHBondContact O-N 3.45Å; K602-D606 VanDerWaalsContact O-N 3.08Å; F603-D606 PolarHBondContact O-N 2.97Å; D606-E608 VanDerWaalsContact C-N 3.31Å; D606-E608 PolarHBondContact O-N 3Å; D606-S609 PolarHBondContact O-N 2.99Å; D606-S609 PolarHBondContact O-OG 3.11Å
607M52.4Low55.4Low78 Ų7885.7 Ų85.738%0.38446%0.464SS..Hα-helixtrans-63.1-27.6175-88.2-83.9-8600114.3F603 V605 S609 N610 V614F603-M607 HydrophobicContact CD1-CG 4.49Å; F603-M607 PolarHBondContact O-N 3.42Å; F603-M607 VanDerWaalsContact O-N 3.09Å; V605-M607 VanDerWaalsContact C-N 3.34Å; V605-M607 PolarHBondContact O-N 3.02Å; M607-S609 PolarHBondContact O-N 3.42Å; M607-N610 PolarHBondContact O-N 3.07Å; M607-V614 HydrophobicContact CE-CG2 4.32Å
608E47.9Very low53.9Low104 Ų10493.6 Ų93.649%0.48650%0.5SS..THydrogen-bonded Turntrans-60.7-25.3176.4-77.3-179.2153.100112.4V605 D606 K658V605-E608 PolarHBondContact O-N 3.37Å; D606-E608 VanDerWaalsContact C-N 3.31Å; D606-E608 PolarHBondContact O-N 3Å; E608-K658 HydrophobicContact CG-CD 4.45Å; E608-K658 WeakPolarHBondContact OE1-CD 3.22Å; E608-K658 VanDerWaalsContact OE1-CE 3.24Å; E608-K658 WeakPolarHBondContact OE1-CE 3.24Å; E608-K658 IonicContact OE1-NZ 2.8Å; E608-K658 PolarHBondContact OE1-NZ 3.38Å; E608-K658 IonicContact OE2-NZ 2.74Å
609S50.8Low52.1Low90 Ų9092.8 Ų92.863%0.62950%0.504SS*.THydrogen-bonded Turntrans-79.9-16.3-179.469.80000114.6D606 M607D606-S609 PolarHBondContact O-N 2.99Å; D606-S609 PolarHBondContact O-OG 3.11Å; M607-S609 PolarHBondContact O-N 3.42Å
610N46.8Very low50.7Low94 Ų9493.6 Ų93.650%0.50352%0.518SS..  trans-128.730.8-167.5-73.9-39.8000115M607 T612 L613M607-N610 PolarHBondContact O-N 3.07Å; N610-T612 PolarHBondContact O-N 3.31Å; N610-L613 PolarHBondContact O-N 2.86Å
611L47.4Very low50.1Low128 Ų12896 Ų9667%0.6754%0.536SS*.THydrogen-bonded Turntrans-55.3-7.9-176.5-90.2151.1000116.8
612T44.1Very low49.4Very low127 Ų12796.5 Ų96.578%0.77954%0.542SS*.THydrogen-bonded Turntrans-85-18.4-178.847.50000114.9N610N610-T612 PolarHBondContact O-N 3.31Å
613L42.9Very low48.9Very low100 Ų10095.7 Ų95.752%0.52454%0.544SS..SBendtrans-87.3-15.4-173.5-87.4155.1000115.4N610 A615N610-L613 PolarHBondContact O-N 2.86Å; L613-A615 VanDerWaalsContact C-N 3.34Å; L613-A615 PolarHBondContact O-N 2.94Å
614V43.5Very low48.6Very low93 Ų93100.5 Ų100.556%0.56456%0.561SS**THydrogen-bonded Turntrans-81.3-11.4-173.4-178.10000113.2M607M607-V614 HydrophobicContact CE-CG2 4.32Å
615A41.8Very low48.8Very low96 Ų96104.7 Ų104.779%0.79358%0.578SS**THydrogen-bonded Turntrans-85.4-9.4-177.800000115.1L613L613-A615 VanDerWaalsContact C-N 3.34Å; L613-A615 PolarHBondContact O-N 2.94Å
616S40Very low49.2Very low59 Ų59101.3 Ų101.341%0.41356%0.558SS.*  trans-108.3114.9179.858.70000112.1H618S616-H618 PolarHBondContact O-N 3.15Å
617E42.5Very low49.5Very low184 Ų18497.5 Ų97.586%0.8654%0.537SS*.THydrogen-bonded Turntrans-65.10.6-170.6-69.1-176147.100116.4
618H39.5Very low50.1Low175 Ų17595.8 Ų95.881%0.8153%0.53SS*.THydrogen-bonded Turntrans-123-0.7-166.4-69.8-13.4000117.4S616S616-H618 PolarHBondContact O-N 3.15Å
619T34.6Very low51.1Low110 Ų11091.3 Ų91.368%0.67551%0.511SS*.SBendtrans-131.51.8-172.8500000117.8
620A44.9Very low52Low53 Ų5387.1 Ų87.144%0.43848%0.482SS..  trans-113.332.9-173.400000115.8D622 R624A620-D622 PolarHBondContact O-N 3.2Å; A620-R624 WeakPolarHBondContact O-CB 3.31Å
621S54.4Low53.1Low62 Ų6282.9 Ų82.943%0.43446%0.459SS..Hα-helixtrans-69.7-29.8-168.660.90000115.8K625S621-K625 WeakPolarHBondContact O-CB 3.38Å; S621-K625 WeakPolarHBondContact O-CD 3.2Å; S621-K625 WeakPolarHBondContact O-CG 3.39Å; S621-K625 PolarHBondContact O-N 2.92Å
622D54.1Low54.2Low100 Ų10081 Ų8154%0.53545%0.447SS..Hα-helixtrans-85.4-50.3-163-67.7-2.7000112A620 R624 K625 V626A620-D622 PolarHBondContact O-N 3.2Å; D622-R624 VanDerWaalsContact C-N 3.25Å; D622-R624 PolarHBondContact O-N 3.36Å; D622-K625 PolarHBondContact O-N 2.84Å; D622-V626 WeakPolarHBondContact O-CG2 3.39Å; D622-V626 PolarHBondContact O-N 3.21Å
623D57.1Low55.6Low112 Ų11275 Ų7560%0.59941%0.41SS*.Hα-helixtrans-62.8-32.9176.1-65.7-27.7000112.4V626 L627D623-V626 PolarHBondContact O-N 3.3Å; D623-L627 PolarHBondContact O-N 3.13Å
624R57.9Low56.9Low145 Ų14570.2 Ų70.255%0.54739%0.385SS..Hα-helixtrans-67-44176.9-164.7178.9-175.8176.63112A620 D622 V626 L627 D628 P666A620-R624 WeakPolarHBondContact O-CB 3.31Å; D622-R624 VanDerWaalsContact C-N 3.25Å; D622-R624 PolarHBondContact O-N 3.36Å; R624-V626 VanDerWaalsContact C-N 3.33Å; R624-L627 PolarHBondContact O-N 3.47Å; R624-D628 PolarHBondContact O-N 2.92Å; R624-D628 VanDerWaalsContact O-N 3.07Å; R624-P666 VanDerWaalsContact NH2-CG 3.35Å
625K63.2Low58Low103 Ų10366.1 Ų66.145%0.44836%0.361SS..Hα-helixtrans-72.7-26.5176.4-69.5172.4179.9175.70112.1L571 S621 D622 G629L571-K625 HydrophobicContact CD1-CB 3.32Å; L571-K625 HydrophobicContact CD2-CD 4.47Å; S621-K625 WeakPolarHBondContact O-CB 3.38Å; S621-K625 WeakPolarHBondContact O-CD 3.2Å; S621-K625 WeakPolarHBondContact O-CG 3.39Å; S621-K625 PolarHBondContact O-N 2.92Å; D622-K625 PolarHBondContact O-N 2.84Å; K625-G629 PolarHBondContact O-N 2.97Å
626V69.5Low59.1Low12 Ų1264.2 Ų64.27%0.07334%0.335CS..Hα-helixtrans-63-49169.2172.10000109.3L571 V574 D622 D623 R624 D628 G629 V630L571-V626 HydrophobicContact CB-CG2 4.04Å; L571-V626 HydrophobicContact CD1-CB 4.39Å; L571-V626 HydrophobicContact CD1-CG2 3.67Å; L571-V626 VanDerWaalsContact CD1-N 3.32Å; V574-V626 HydrophobicContact CG2-CG1 4.19Å; D622-V626 WeakPolarHBondContact O-CG2 3.39Å; D622-V626 PolarHBondContact O-N 3.21Å; D623-V626 PolarHBondContact O-N 3.3Å; R624-V626 VanDerWaalsContact C-N 3.33Å; V626-D628 PolarHBondContact O-N 3.33Å; V626-G629 PolarHBondContact O-N 3.32Å; V626-V630 HydrophobicContact CG1-CG2 4.39Å; V626-V630 VanDerWaalsContact O-CG2 3.3Å; V626-V630 WeakPolarHBondContact O-CG2 3.44Å; V626-V630 PolarHBondContact O-N 3.11Å
627L64.7Low60.3Low22 Ų2261.5 Ų61.512%0.11532%0.316CS..Hα-helixtrans-61.1-45.1179.5-125.3103000112.5L600 F603 D623 R624 V630 I631 M655 L667L600-L627 HydrophobicContact CD2-CG 4.38Å; F603-L627 HydrophobicContact CD1-CD1 3.69Å; F603-L627 HydrophobicContact CE1-CD1 3.84Å; F603-L627 HydrophobicContact CG-CD1 4.44Å; D623-L627 PolarHBondContact O-N 3.13Å; R624-L627 PolarHBondContact O-N 3.47Å; L627-V630 PolarHBondContact O-N 2.7Å; L627-I631 WeakPolarHBondContact O-CG1 3.25Å; L627-I631 PolarHBondContact O-N 2.95Å; L627-M655 HydrophobicContact CD2-CE 3.6Å; L627-L667 HydrophobicContact CB-CD2 4.3Å; L627-L667 HydrophobicContact CD2-CD1 3.85Å; L627-L667 HydrophobicContact CD2-CD2 3.51Å; L627-L667 HydrophobicContact CD2-CG 4.31Å; L627-L667 HydrophobicContact CG-CD2 4.47Å
628D64.4Low61.3Low43 Ų4355.9 Ų55.923%0.2330%0.297CS..Hα-helixtrans-61.5-45.6175.5-86.5-27.2000111.4R624 V626 V630 I631 E632 S670R624-D628 PolarHBondContact O-N 2.92Å; R624-D628 VanDerWaalsContact O-N 3.07Å; V626-D628 PolarHBondContact O-N 3.33Å; D628-V630 VanDerWaalsContact C-N 3.34Å; D628-V630 PolarHBondContact O-N 3.13Å; D628-I631 PolarHBondContact O-N 3.46Å; D628-E632 WeakPolarHBondContact O-CB 3.29Å; D628-E632 PolarHBondContact O-N 3.47Å; D628-S670 VanDerWaalsContact CG-OG 3.29Å; D628-S670 PolarHBondContact OD1-OG 3.14Å
629G68.1Low62.3Low10 Ų1050.1 Ų50.110%0.10328%0.276CS..Hα-helixtrans-64.1-34.6179.100000113.6K625 V626 E632 I633K625-G629 PolarHBondContact O-N 2.97Å; V626-G629 PolarHBondContact O-N 3.32Å; G629-E632 PolarHBondContact O-N 3.29Å; G629-I633 WeakPolarHBondContact O-CG1 3.28Å; G629-I633 PolarHBondContact O-N 2.89Å
630V71.7Confident63.7Low2 Ų245.2 Ų45.21%0.01225%0.246CC..Hα-helixtrans-68.3-37.1176.8174.20000111.6W569 V574 I596 L600 V626 L627 D628 I633 F634W569-V630 HydrophobicContact CE3-CG2 4.06Å; W569-V630 HydrophobicContact CZ3-CG2 4.34Å; V574-V630 HydrophobicContact CG1-CG2 4.1Å; V574-V630 HydrophobicContact CG2-CG2 3.87Å; I596-V630 HydrophobicContact CG2-CG1 3.69Å; L600-V630 HydrophobicContact CD1-CG1 4.13Å; L600-V630 HydrophobicContact CD2-CG1 4.3Å; L600-V630 HydrophobicContact CG-CG1 4.3Å; V626-V630 HydrophobicContact CG1-CG2 4.39Å; V626-V630 VanDerWaalsContact O-CG2 3.3Å; V626-V630 WeakPolarHBondContact O-CG2 3.44Å; V626-V630 PolarHBondContact O-N 3.11Å; L627-V630 PolarHBondContact O-N 2.7Å; D628-V630 VanDerWaalsContact C-N 3.34Å; D628-V630 PolarHBondContact O-N 3.13Å; V630-I633 WeakPolarHBondContact O-CB 3.14Å; V630-F634 WeakPolarHBondContact O-CD2 3.45Å
631I69.6Low64.8Low5 Ų546.5 Ų46.53%0.02625%0.246CC..Hα-helixtrans-70.5-36.8174-63.4173.8000110.5L627 D628 I633 F634 L667L627-I631 WeakPolarHBondContact O-CG1 3.25Å; L627-I631 PolarHBondContact O-N 2.95Å; D628-I631 PolarHBondContact O-N 3.46Å; I631-I633 VanDerWaalsContact C-N 3.29Å; I631-I633 PolarHBondContact O-N 3.12Å; I631-F634 PolarHBondContact O-N 2.88Å; I631-F634 VanDerWaalsContact O-N 3.16Å; I631-L667 HydrophobicContact CD1-CB 4.47Å; I631-L667 HydrophobicContact CD1-CD2 3.81Å
632E69Low65.4Low88 Ų8845.3 Ų45.341%0.41124%0.243SC..Hα-helixtrans-63.5-33.4177.4-151177.4-148.900112.2N578 D628 G629 F634 C635 H636N578-E632 PolarHBondContact ND2-OE2 2.91Å; D628-E632 WeakPolarHBondContact O-CB 3.29Å; D628-E632 PolarHBondContact O-N 3.47Å; G629-E632 PolarHBondContact O-N 3.29Å; E632-F634 VanDerWaalsContact C-N 3.25Å; E632-F634 PolarHBondContact O-N 3.16Å; E632-C635 WeakPolarHBondContact O-CA 3.31Å; E632-C635 WeakPolarHBondContact O-CB 3.44Å; E632-C635 PolarHBondContact O-N 3.35Å; E632-H636 PolarHBondContact O-CD2 3.38Å; E632-H636 PolarHBondContact O-N 3.02Å
633I73.6Confident66.3Low1 Ų143.5 Ų43.51%0.00524%0.238CC..Hα-helixtrans-53.3-42.9172.4-73.6167.2000111.6W569 V574 V577 N578 I581 M588 G629 V630 I631 C635 H636W569-I633 HydrophobicContact CH2-CD1 4.24Å; W569-I633 HydrophobicContact CZ3-CD1 3.81Å; V574-I633 HydrophobicContact CG1-CD1 3.99Å; V577-I633 HydrophobicContact CB-CD1 4Å; V577-I633 HydrophobicContact CG1-CD1 3.62Å; V577-I633 HydrophobicContact CG1-CG1 4.07Å; V577-I633 HydrophobicContact CG1-CG2 4.36Å; N578-I633 HydrophobicContact CB-CG1 4.28Å; N578-I633 VanDerWaalsContact OD1-CA 3.32Å; N578-I633 WeakPolarHBondContact OD1-CA 3.49Å; N578-I633 PolarHBondContact OD1-N 3.03Å; I581-I633 HydrophobicContact CD1-CG2 3.55Å; M588-I633 HydrophobicContact CE-CG2 4.07Å; G629-I633 WeakPolarHBondContact O-CG1 3.28Å; G629-I633 PolarHBondContact O-N 2.89Å; V630-I633 WeakPolarHBondContact O-CB 3.14Å; I631-I633 VanDerWaalsContact C-N 3.29Å; I631-I633 PolarHBondContact O-N 3.12Å; I633-C635 PolarHBondContact O-N 3.04Å; I633-H636 PolarHBondContact O-N 3.46Å
634F70Confident66.8Low0 Ų038.2 Ų38.20%021%0.21CC..Hα-helixtrans-66.8-26.8178.1-70.2-79.9000112.5Q593 I596 V597 V630 I631 E632 H636 L637 L648 F674Q593-F634 HydrophobicContact CB-CE1 4.38Å; I596-F634 HydrophobicContact CB-CZ 4.08Å; I596-F634 HydrophobicContact CG2-CE2 3.63Å; I596-F634 HydrophobicContact CG2-CZ 3.66Å; V597-F634 HydrophobicContact CG2-CZ 4.33Å; V630-F634 WeakPolarHBondContact O-CD2 3.45Å; I631-F634 PolarHBondContact O-N 2.88Å; I631-F634 VanDerWaalsContact O-N 3.16Å; E632-F634 VanDerWaalsContact C-N 3.25Å; E632-F634 PolarHBondContact O-N 3.16Å; F634-H636 VanDerWaalsContact C-N 3.27Å; F634-H636 PolarHBondContact O-N 3.48Å; F634-L637 HydrophobicContact CD1-CD1 3.93Å; F634-L648 HydrophobicContact CB-CD1 4.47Å; F634-L648 HydrophobicContact CD1-CD1 3.91Å; F634-L648 HydrophobicContact CD2-CD1 3.73Å; F634-L648 HydrophobicContact CE1-CD1 3.98Å; F634-L648 HydrophobicContact CE2-CD1 3.8Å; F634-L648 HydrophobicContact CG-CD1 3.78Å; F634-L648 HydrophobicContact CZ-CD1 3.92Å; F634-F674 HydrophobicContact CB-CD2 3.82Å; F634-F674 HydrophobicContact CB-CE2 3.78Å
635C67.9Low67.5Low7 Ų731.6 Ų31.65%0.04719%0.186CC..Hα-helixtrans-68.5-25.8176.3-54.20000112.1E632 I633 F674 K677E632-C635 WeakPolarHBondContact O-CA 3.31Å; E632-C635 WeakPolarHBondContact O-CB 3.44Å; E632-C635 PolarHBondContact O-N 3.35Å; I633-C635 PolarHBondContact O-N 3.04Å; C635-F674 WeakPolarHBondContact SG-CA 3.44Å; C635-F674 VanDerWaalsContact SG-CB 3.55Å; C635-F674 PolarHBondContact SG-N 3.39Å; C635-K677 WeakPolarHBondContact O-CD 3.38Å; C635-K677 WeakPolarHBondContact O-CE 3.42Å; C635-K677 PolarHBondContact O-NZ 3.45Å
636H65.3Low68Low55 Ų5528.5 Ų28.526%0.25517%0.174SC..Hα-helixtrans-92.2-12.5-175-65.6-58.5000114.6N578 I581 Q582 E632 I633 F634 K677N578-H636 PolarHBondContact OD1-CD2 3.49Å; I581-H636 HydrophobicContact CG2-CB 4Å; Q582-H636 HydrophobicContact CG-CB 3.81Å; Q582-H636 PolarHBondContact NE2-CD2 3.22Å; Q582-H636 PolarHBondContact NE2-CE1 2.69Å; Q582-H636 PolarHBondContact NE2-ND1 3.1Å; Q582-H636 VanDerWaalsContact NE2-ND1 3.11Å; Q582-H636 PolarHBondContact NE2-NE2 3.09Å; E632-H636 PolarHBondContact O-CD2 3.38Å; E632-H636 PolarHBondContact O-N 3.02Å; I633-H636 PolarHBondContact O-N 3.46Å; F634-H636 VanDerWaalsContact C-N 3.27Å; F634-H636 PolarHBondContact O-N 3.48Å; H636-K677 PolarHBondContact O-NZ 2.99Å
637L65Low68.2Low2 Ų228.9 Ų28.91%0.0118%0.178CC..  trans-63.7151.4176.9-66.9165.5000113I581 M588 F634 V640 K677 F678I581-L637 HydrophobicContact CG2-CD2 4.26Å; M588-L637 HydrophobicContact CB-CD2 3.8Å; M588-L637 HydrophobicContact CE-CD1 3.86Å; M588-L637 HydrophobicContact CE-CD2 4.35Å; M588-L637 HydrophobicContact CG-CD2 4Å; F634-L637 HydrophobicContact CD1-CD1 3.93Å; L637-V640 HydrophobicContact CB-CG2 4.09Å; L637-V640 HydrophobicContact CD1-CG2 4.15Å; L637-K677 PolarHBondContact O-NZ 3.36Å; L637-F678 WeakPolarHBondContact O-CZ 3.33Å
638S63.7Low68.6Low67 Ų6728 Ų2847%0.46917%0.174SC..SBendtrans-86.3-29.9178.350.60000113.2
639S60.8Low69.1Low53 Ų5326.1 Ų26.137%0.37117%0.165SC..  trans-147.2131.9176.365.60000110.8H587H587-S639 PolarHBondContact CE1-OG 3.19Å; H587-S639 PolarHBondContact ND1-OG 3.05Å
640V62.7Low69.5Low8 Ų830.7 Ų30.75%0.04818%0.183CC..  trans-121.3138.2175-177.70000107.9L637 T644 V645 F674 F678L637-V640 HydrophobicContact CB-CG2 4.09Å; L637-V640 HydrophobicContact CD1-CG2 4.15Å; V640-T644 VanDerWaalsContact CG1-OG1 3.3Å; V640-T644 WeakPolarHBondContact CG1-OG1 3.49Å; V640-V645 HydrophobicContact CB-CG2 4.42Å; V640-V645 HydrophobicContact CG1-CG2 3.91Å; V640-F674 HydrophobicContact CG2-CE2 4.42Å; V640-F678 HydrophobicContact CB-CZ 4.4Å; V640-F678 HydrophobicContact CG2-CD2 4.5Å; V640-F678 HydrophobicContact CG2-CE1 4.16Å; V640-F678 HydrophobicContact CG2-CE2 3.79Å; V640-F678 HydrophobicContact CG2-CZ 3.59Å
641D69.3Low69.6Low79 Ų7931 Ų3142%0.42219%0.185SC..  trans-71.7146.1178.7-97.9-18.1000111.3V590 S643 T644 V645V590-D641 WeakPolarHBondContact CG1-OD2 3.39Å; V590-D641 WeakPolarHBondContact CG2-OD2 3.37Å; D641-S643 PolarHBondContact O-N 3.45Å; D641-S643 VanDerWaalsContact O-N 3.09Å; D641-T644 PolarHBondContact O-N 3.11Å; D641-T644 VanDerWaalsContact O-N 3.08Å; D641-T644 PolarHBondContact O-OG1 2.86Å; D641-V645 PolarHBondContact O-N 2.83Å
642G66Low69.8Low37 Ų3731.1 Ų31.138%0.38119%0.186SC..Hα-helixtrans-59-27-17800000114D646G642-D646 PolarHBondContact O-N 2.83Å; G642-D646 VanDerWaalsContact O-OD1 3.11Å
643S72.6Confident69.9Low62 Ų6227.8 Ų27.843%0.43417%0.17SC..Hα-helixtrans-73.6-31.9178.159.90000113.3D641 A647D641-S643 PolarHBondContact O-N 3.45Å; D641-S643 VanDerWaalsContact O-N 3.09Å; S643-A647 WeakPolarHBondContact O-CB 3.38Å; S643-A647 PolarHBondContact O-N 3.11Å
644T68.2Low69.8Low2 Ų232.3 Ų32.31%0.01219%0.192CC..Hα-helixtrans-78.6-33.5176.434.30000111.8Q593 Q594 V597 V640 D641 D646 A647 L648Q593-T644 HydrophobicContact CB-CG2 3.89Å; Q593-T644 PolarHBondContact OE1-OG1 3.07Å; Q594-T644 HydrophobicContact CG-CG2 4.4Å; V597-T644 HydrophobicContact CG2-CG2 4.33Å; V640-T644 VanDerWaalsContact CG1-OG1 3.3Å; V640-T644 WeakPolarHBondContact CG1-OG1 3.49Å; D641-T644 PolarHBondContact O-N 3.11Å; D641-T644 VanDerWaalsContact O-N 3.08Å; D641-T644 PolarHBondContact O-OG1 2.86Å; T644-D646 VanDerWaalsContact C-N 3.33Å; T644-A647 PolarHBondContact O-N 2.95Å; T644-L648 WeakPolarHBondContact O-CB 3.28Å; T644-L648 PolarHBondContact O-N 2.9Å
645V72.1Confident69.5Low5 Ų533.1 Ų33.13%0.0320%0.196CC..Hα-helixtrans-59.2-46.5169.5-179.30000110.5V640 D641 L648 A649 F674 V682V640-V645 HydrophobicContact CB-CG2 4.42Å; V640-V645 HydrophobicContact CG1-CG2 3.91Å; D641-V645 PolarHBondContact O-N 2.83Å; V645-L648 PolarHBondContact O-N 2.72Å; V645-A649 VanDerWaalsContact O-CB 3.32Å; V645-A649 WeakPolarHBondContact O-CB 3.28Å; V645-A649 PolarHBondContact O-N 3.45Å; V645-F674 HydrophobicContact CG2-CZ 4.24Å; V645-V682 HydrophobicContact CG1-CG2 4.17Å
646D73.1Confident69.3Low39 Ų3933.9 Ų33.921%0.20920%0.199CC..Hα-helixtrans-58.4-51.4176.6-63.8-12.5000110.7G642 T644 L648 A649 E650 W685 K689G642-D646 PolarHBondContact O-N 2.83Å; G642-D646 VanDerWaalsContact O-OD1 3.11Å; T644-D646 VanDerWaalsContact C-N 3.33Å; D646-L648 PolarHBondContact O-N 3.47Å; D646-A649 PolarHBondContact O-N 2.83Å; D646-E650 WeakPolarHBondContact O-CB 3.45Å; D646-E650 WeakPolarHBondContact O-CG 3.38Å; D646-E650 PolarHBondContact O-N 3.45Å; D646-W685 PolarHBondContact OD1-NE1 3.01Å; D646-K689 IonicContact OD1-NZ 3.45Å; D646-K689 PolarHBondContact OD1-NZ 3.34Å; D646-K689 IonicContact OD2-NZ 3.17Å; D646-K689 PolarHBondContact OD2-NZ 3.05Å
647A74.1Confident69.3Low19 Ų1934.4 Ų34.416%0.15721%0.206CC..Hα-helixtrans-64.6-39.9-17700000112.7V597 S643 T644 L651V597-A647 HydrophobicContact CG1-CB 3.86Å; S643-A647 WeakPolarHBondContact O-CB 3.38Å; S643-A647 PolarHBondContact O-N 3.11Å; T644-A647 PolarHBondContact O-N 2.95Å; A647-L651 VanDerWaalsContact O-CB 3.26Å; A647-L651 WeakPolarHBondContact O-CB 3.3Å; A647-L651 PolarHBondContact O-N 3.34Å
648L74.5Confident68.9Low4 Ų439 Ų392%0.02123%0.225CC..Hα-helixtrans-67.5-43.1177.6-116.6146.8000111.8F634 T644 V645 D646 L651 V652F634-L648 HydrophobicContact CB-CD1 4.47Å; F634-L648 HydrophobicContact CD1-CD1 3.91Å; F634-L648 HydrophobicContact CD2-CD1 3.73Å; F634-L648 HydrophobicContact CE1-CD1 3.98Å; F634-L648 HydrophobicContact CE2-CD1 3.8Å; F634-L648 HydrophobicContact CG-CD1 3.78Å; F634-L648 HydrophobicContact CZ-CD1 3.92Å; T644-L648 WeakPolarHBondContact O-CB 3.28Å; T644-L648 PolarHBondContact O-N 2.9Å; V645-L648 PolarHBondContact O-N 2.72Å; D646-L648 PolarHBondContact O-N 3.47Å; L648-L651 PolarHBondContact O-N 3.46Å; L648-V652 WeakPolarHBondContact O-CG2 3.31Å; L648-V652 PolarHBondContact O-N 3.44Å
649A74.2Confident68.7Low4 Ų438.5 Ų38.53%0.03322%0.217CC..Hα-helixtrans-63.4-42.817700000111.1V645 D646 L653 F671 W685V645-A649 VanDerWaalsContact O-CB 3.32Å; V645-A649 WeakPolarHBondContact O-CB 3.28Å; V645-A649 PolarHBondContact O-N 3.45Å; D646-A649 PolarHBondContact O-N 2.83Å; A649-L653 WeakPolarHBondContact O-CD1 3.31Å; A649-L653 PolarHBondContact O-N 2.97Å; A649-F671 HydrophobicContact CB-CZ 4.39Å; A649-W685 HydrophobicContact CB-CD2 4.2Å; A649-W685 HydrophobicContact CB-CE3 4.28Å; A649-W685 HydrophobicContact CB-CH2 3.71Å; A649-W685 HydrophobicContact CB-CZ2 3.59Å; A649-W685 HydrophobicContact CB-CZ3 4.07Å
650E76.1Confident68.1Low106 Ų10643.8 Ų43.850%0.49524%0.236SC..Hα-helixtrans-61.6-42.3172.8-77.6-179.5172.200112.6D646 L653 E654 W685D646-E650 WeakPolarHBondContact O-CB 3.45Å; D646-E650 WeakPolarHBondContact O-CG 3.38Å; D646-E650 PolarHBondContact O-N 3.45Å; E650-L653 CarbonylContact O-C 3.16Å; E650-L653 WeakPolarHBondContact O-CB 3.4Å; E650-L653 PolarHBondContact O-N 3.47Å; E650-E654 PolarHBondContact O-N 2.89Å; E650-W685 HydrophobicContact CG-CZ2 4.49Å
651L73.3Confident67.2Low9 Ų953.2 Ų53.25%0.04728%0.276CS..Hα-helixtrans-67.4-40.4-177.9-147161.2000112.2V597 L600 K601 T604 A647 L648 L653 E654 M655V597-L651 HydrophobicContact CG1-CD1 4.06Å; L600-L651 HydrophobicContact CB-CD1 3.8Å; L600-L651 HydrophobicContact CB-CD2 4.18Å; K601-L651 HydrophobicContact CB-CD1 4.41Å; K601-L651 HydrophobicContact CD-CD1 4.48Å; K601-L651 HydrophobicContact CG-CD1 3.44Å; K601-L651 VanDerWaalsContact CG-CD1 3.44Å; K601-L651 HydrophobicContact CG-CG 4.01Å; T604-L651 HydrophobicContact CG2-CD2 3.72Å; A647-L651 VanDerWaalsContact O-CB 3.26Å; A647-L651 WeakPolarHBondContact O-CB 3.3Å; A647-L651 PolarHBondContact O-N 3.34Å; L648-L651 PolarHBondContact O-N 3.46Å; L651-L653 VanDerWaalsContact C-N 3.28Å; L651-L653 PolarHBondContact O-N 3.49Å; L651-E654 PolarHBondContact O-N 3.22Å; L651-M655 HydrophobicContact CD2-CG 4.44Å; L651-M655 WeakPolarHBondContact O-CB 3.32Å; L651-M655 PolarHBondContact O-N 2.99Å
652V74.3Confident65.9Low7 Ų753.3 Ų53.34%0.04228%0.282CS..Hα-helixtrans-64.1-36.2173.8172.80000110.9L648 E656 F671L648-V652 WeakPolarHBondContact O-CG2 3.31Å; L648-V652 PolarHBondContact O-N 3.44Å; V652-E656 PolarHBondContact O-N 3.07Å; V652-F671 HydrophobicContact CG2-CD2 4.11Å
653L71.5Confident64.9Low17 Ų1758.3 Ų58.39%0.08931%0.306CS..Hα-helixtrans-70.1-43.6174.5-86.9154.3000112.7A649 E650 L651 M655 E656 T657 W685 V697A649-L653 WeakPolarHBondContact O-CD1 3.31Å; A649-L653 PolarHBondContact O-N 2.97Å; E650-L653 CarbonylContact O-C 3.16Å; E650-L653 WeakPolarHBondContact O-CB 3.4Å; E650-L653 PolarHBondContact O-N 3.47Å; L651-L653 VanDerWaalsContact C-N 3.28Å; L651-L653 PolarHBondContact O-N 3.49Å; L653-M655 VanDerWaalsContact C-N 3.33Å; L653-M655 PolarHBondContact O-N 3.43Å; L653-E656 PolarHBondContact O-N 3.37Å; L653-T657 WeakPolarHBondContact O-CG2 3.49Å; L653-T657 PolarHBondContact O-N 2.79Å; L653-T657 PolarHBondContact O-OG1 3.15Å; L653-W685 HydrophobicContact CD1-CH2 3.66Å; L653-W685 HydrophobicContact CD1-CZ3 4.4Å; L653-V697 HydrophobicContact CD1-CG2 3.48Å; L653-V697 VanDerWaalsContact CD1-CG2 3.48Å; L653-V697 HydrophobicContact CD2-CG2 4.04Å; L653-V697 HydrophobicContact CG-CG2 4.45Å
654E70.6Confident63.8Low97 Ų9760.7 Ų60.745%0.45332%0.317SS..Hα-helixtrans-58-46173.1-96.2-173.514900111E650 L651 E656 T657 K658E650-E654 PolarHBondContact O-N 2.89Å; L651-E654 PolarHBondContact O-N 3.22Å; E654-E656 PolarHBondContact O-N 3.46Å; E654-T657 WeakPolarHBondContact CA-OG1 3.49Å; E654-T657 PolarHBondContact O-N 2.97Å; E654-T657 PolarHBondContact O-OG1 3.08Å; E654-K658 WeakPolarHBondContact O-CG 3.44Å; E654-K658 PolarHBondContact O-N 3.1Å
655M64Low63.3Low17 Ų1761.3 Ų61.38%0.08432%0.321CS..Hα-helixtrans-57.4-44.5173-87.5-85.9-129.100112.5T604 L627 L651 L653 K658 I659 L667T604-M655 HydrophobicContact CG2-CE 3.61Å; T604-M655 HydrophobicContact CG2-CG 3.43Å; T604-M655 VanDerWaalsContact CG2-CG 3.43Å; T604-M655 HydrophobicContact CG2-SD 3.52Å; T604-M655 VanDerWaalsContact CG2-SD 3.52Å; L627-M655 HydrophobicContact CD2-CE 3.6Å; L651-M655 HydrophobicContact CD2-CG 4.44Å; L651-M655 WeakPolarHBondContact O-CB 3.32Å; L651-M655 PolarHBondContact O-N 2.99Å; L653-M655 VanDerWaalsContact C-N 3.33Å; L653-M655 PolarHBondContact O-N 3.43Å; M655-K658 PolarHBondContact O-N 3.42Å; M655-I659 WeakPolarHBondContact O-CB 3.41Å; M655-I659 WeakPolarHBondContact O-CD1 3.33Å; M655-I659 WeakPolarHBondContact O-CG1 3.39Å; M655-I659 PolarHBondContact O-N 3.08Å; M655-I659 VanDerWaalsContact O-N 3.11Å; M655-I659 HydrophobicContact SD-CD1 4.02Å; M655-L667 HydrophobicContact CE-CD1 3.93Å
656E64.9Low62.6Low23 Ų2363 Ų6311%0.10733%0.332CS..Hα-helixtrans-61.8-43.8176.7-89.9-167.5173.700112.9V652 L653 E654 K658 I659 N665 R668V652-E656 PolarHBondContact O-N 3.07Å; L653-E656 PolarHBondContact O-N 3.37Å; E654-E656 PolarHBondContact O-N 3.46Å; E656-K658 PolarHBondContact O-N 3.38Å; E656-I659 PolarHBondContact O-N 3.34Å; E656-N665 WeakPolarHBondContact CG-ND2 3.33Å; E656-R668 VanDerWaalsContact CD-NH2 3.26Å; E656-R668 IonicContact OE1-CZ 3.83Å; E656-R668 IonicContact OE1-NE 2.73Å; E656-R668 PolarHBondContact OE1-NE 3.08Å; E656-R668 IonicContact OE1-NH2 3.48Å; E656-R668 PolarHBondContact OE1-NH2 3.41Å; E656-R668 IonicContact OE2-NH2 2.61Å; E656-R668 PolarHBondContact OE2-NH2 2.77Å; E656-R668 VanDerWaalsContact OE2-NH2 3.07Å
657T63.9Low62.1Low66 Ų6661.8 Ų61.841%0.40533%0.325SS..Hα-helixtrans-67-26.7178.455.30000112.6L653 E654L653-T657 WeakPolarHBondContact O-CG2 3.49Å; L653-T657 PolarHBondContact O-N 2.79Å; L653-T657 PolarHBondContact O-OG1 3.15Å; E654-T657 WeakPolarHBondContact CA-OG1 3.49Å; E654-T657 PolarHBondContact O-N 2.97Å; E654-T657 PolarHBondContact O-OG1 3.08Å
658K57.4Low62Low97 Ų9762.9 Ų62.942%0.42233%0.325SS..Hα-helixtrans-84.7-19176.6-69.9-172-177.3-167.40114.1E608 E654 M655 E656E608-K658 HydrophobicContact CG-CD 4.45Å; E608-K658 WeakPolarHBondContact OE1-CD 3.22Å; E608-K658 VanDerWaalsContact OE1-CE 3.24Å; E608-K658 WeakPolarHBondContact OE1-CE 3.24Å; E608-K658 IonicContact OE1-NZ 2.8Å; E608-K658 PolarHBondContact OE1-NZ 3.38Å; E608-K658 IonicContact OE2-NZ 2.74Å; E654-K658 WeakPolarHBondContact O-CG 3.44Å; E654-K658 PolarHBondContact O-N 3.1Å; M655-K658 PolarHBondContact O-N 3.42Å; E656-K658 PolarHBondContact O-N 3.38Å
659I59.2Low61.8Low58 Ų5869.2 Ų69.230%0.29736%0.355SS..Hα-helixtrans-99.2-2.7-173.4-66.9168000113.9M655 E656 K661M655-I659 WeakPolarHBondContact O-CB 3.41Å; M655-I659 WeakPolarHBondContact O-CD1 3.33Å; M655-I659 WeakPolarHBondContact O-CG1 3.39Å; M655-I659 PolarHBondContact O-N 3.08Å; M655-I659 VanDerWaalsContact O-N 3.11Å; M655-I659 HydrophobicContact SD-CD1 4.02Å; E656-I659 PolarHBondContact O-N 3.34Å; I659-K661 PolarHBondContact O-N 2.87Å
660E47.6Very low61.4Low163 Ų16369.8 Ų69.876%0.76236%0.358SS*.THydrogen-bonded Turntrans-34.40.6-163-79.4-173.4162.500122.9
661K45.3Very low61.4Low206 Ų20665 Ų6590%0.89634%0.336SS*.THydrogen-bonded Turntrans-90.7-12.6173.8-71.6-173.5177.9177.90116.8I659I659-K661 PolarHBondContact O-N 2.87Å
662C41.4Very low61.4Low82 Ų8265.1 Ų65.155%0.55434%0.337SS*.  trans-106126.7-176.5-68.70000113.4V664C662-V664 PolarHBondContact O-N 3.45Å
663T45.6Very low61.3Low142 Ų14267.2 Ų67.287%0.87135%0.351SS*.SBendtrans-70.2-11.1-179.749.20000114.3
664V47.8Very low61.5Low111 Ų11166.4 Ų66.467%0.67335%0.347SS*.  trans-133.1104.2179.3-172.70000109.2C662 P666C662-V664 PolarHBondContact O-N 3.45Å; V664-P666 WeakPolarHBondContact O-CD 3.2Å
665N58.4Low61.6Low16 Ų1661.8 Ų61.89%0.08633%0.326CS..  trans-86.4115.9174.1-168.90.6000109.7E656 L667 R668E656-N665 WeakPolarHBondContact CG-ND2 3.33Å; N665-L667 VanDerWaalsContact C-N 3.27Å; N665-L667 PolarHBondContact O-N 3.35Å; N665-R668 HydrophobicContact CB-CG 4.27Å; N665-R668 WeakPolarHBondContact O-CB 3.3Å; N665-R668 PolarHBondContact O-N 3.02Å
666P57.5Low61.9Low40 Ų4063.6 Ų63.626%0.2633%0.334SS..THydrogen-bonded Turntrans-60.5-30-175.421.9-34.1000114.5R624 V664 R668 Q669R624-P666 VanDerWaalsContact NH2-CG 3.35Å; V664-P666 WeakPolarHBondContact O-CD 3.2Å; P666-R668 PolarHBondContact O-N 3.07Å; P666-R668 VanDerWaalsContact O-N 3.17Å; P666-Q669 PolarHBondContact O-N 3.3Å
667L63.7Low62Low13 Ų1367.6 Ų67.67%0.06835%0.351CS..Hα-helixtrans-68-17.6-177.1-60.2172.1000113.6L627 I631 M655 N665 Q669 S670 F671L627-L667 HydrophobicContact CB-CD2 4.3Å; L627-L667 HydrophobicContact CD2-CD1 3.85Å; L627-L667 HydrophobicContact CD2-CD2 3.51Å; L627-L667 HydrophobicContact CD2-CG 4.31Å; L627-L667 HydrophobicContact CG-CD2 4.47Å; I631-L667 HydrophobicContact CD1-CB 4.47Å; I631-L667 HydrophobicContact CD1-CD2 3.81Å; M655-L667 HydrophobicContact CE-CD1 3.93Å; N665-L667 VanDerWaalsContact C-N 3.27Å; N665-L667 PolarHBondContact O-N 3.35Å; L667-Q669 PolarHBondContact O-N 2.7Å; L667-S670 PolarHBondContact O-N 3.29Å; L667-F671 WeakPolarHBondContact O-CB 3.23Å; L667-F671 PolarHBondContact O-N 2.81Å; L667-F671 VanDerWaalsContact O-N 3.09Å
668R72Confident62.4Low43 Ų4365.3 Ų65.316%0.16234%0.335CS..Hα-helixtrans-62.1-29.6178.3-73.6-171.7173169.44.3112.7E656 N665 P666 L672 L700 W703E656-R668 VanDerWaalsContact CD-NH2 3.26Å; E656-R668 IonicContact OE1-CZ 3.83Å; E656-R668 IonicContact OE1-NE 2.73Å; E656-R668 PolarHBondContact OE1-NE 3.08Å; E656-R668 IonicContact OE1-NH2 3.48Å; E656-R668 PolarHBondContact OE1-NH2 3.41Å; E656-R668 IonicContact OE2-NH2 2.61Å; E656-R668 PolarHBondContact OE2-NH2 2.77Å; E656-R668 VanDerWaalsContact OE2-NH2 3.07Å; N665-R668 HydrophobicContact CB-CG 4.27Å; N665-R668 WeakPolarHBondContact O-CB 3.3Å; N665-R668 PolarHBondContact O-N 3.02Å; P666-R668 PolarHBondContact O-N 3.07Å; P666-R668 VanDerWaalsContact O-N 3.17Å; R668-L672 WeakPolarHBondContact O-CB 3.5Å; R668-L672 PolarHBondContact O-N 3.07Å; R668-L672 VanDerWaalsContact O-N 3.08Å; R668-L700 HydrophobicContact CG-CD1 4.08Å; R668-W703 HydrophobicContact CB-CD2 4.37Å; R668-W703 HydrophobicContact CB-CE3 4.04Å; R668-W703 HydrophobicContact CB-CH2 3.49Å; R668-W703 VanDerWaalsContact CB-CH2 3.49Å; R668-W703 HydrophobicContact CB-CZ2 3.81Å; R668-W703 HydrophobicContact CB-CZ3 3.61Å; R668-W703 HydrophobicContact CG-CE3 4.45Å; R668-W703 HydrophobicContact CG-CZ3 4.47Å; R668-W703 WeakPolarHBondContact O-CH2 3.39Å; R668-W703 VanDerWaalsContact O-CZ3 3.31Å; R668-W703 WeakPolarHBondContact O-CZ3 3.23Å
669Q69Low63Low137 Ų13761.4 Ų61.464%0.6432%0.32SS*.Hα-helixtrans-75.4-43.9-176-146.1143.7-600111.1P666 L667 L672 S673P666-Q669 PolarHBondContact O-N 3.3Å; L667-Q669 PolarHBondContact O-N 2.7Å; Q669-L672 VanDerWaalsContact O-CB 3.25Å; Q669-L672 WeakPolarHBondContact O-CB 3.4Å; Q669-L672 PolarHBondContact O-N 2.97Å; Q669-L672 VanDerWaalsContact O-N 3.16Å; Q669-S673 PolarHBondContact O-N 3.29Å; Q669-S673 PolarHBondContact O-OG 2.85Å
670S65.4Low63.6Low16 Ų1661.4 Ų61.411%0.11233%0.326CS..Hα-helixtrans-67.1-37174.9-50.40000112D628 L667 L672 S673 F674D628-S670 VanDerWaalsContact CG-OG 3.29Å; D628-S670 PolarHBondContact OD1-OG 3.14Å; L667-S670 PolarHBondContact O-N 3.29Å; S670-L672 VanDerWaalsContact C-N 3.3Å; S670-L672 PolarHBondContact O-N 2.89Å; S670-S673 PolarHBondContact O-N 2.8Å; S670-S673 PolarHBondContact O-OG 3.2Å; S670-F674 PolarHBondContact O-N 3.41Å
671F76.3Confident64.9Low4 Ų456.8 Ų56.82%0.01830%0.304CS..Hα-helixtrans-67.2-28.1172.1-169.6-99.9000113A649 V652 L667 F674 A675 L700 L704A649-F671 HydrophobicContact CB-CZ 4.39Å; V652-F671 HydrophobicContact CG2-CD2 4.11Å; L667-F671 WeakPolarHBondContact O-CB 3.23Å; L667-F671 PolarHBondContact O-N 2.81Å; L667-F671 VanDerWaalsContact O-N 3.09Å; F671-F674 HydrophobicContact CD2-CD1 4.36Å; F671-F674 HydrophobicContact CE2-CD1 4.13Å; F671-F674 WeakPolarHBondContact O-CB 3.49Å; F671-F674 PolarHBondContact O-N 2.96Å; F671-A675 WeakPolarHBondContact O-CB 3.45Å; F671-A675 PolarHBondContact O-N 2.8Å; F671-L700 HydrophobicContact CD1-CD2 4.46Å; F671-L700 HydrophobicContact CE1-CD2 4.05Å; F671-L704 HydrophobicContact CD1-CD1 4.39Å; F671-L704 HydrophobicContact CE1-CD1 4.17Å
672L74.4Confident66.3Low13 Ų1347.1 Ų47.17%0.06826%0.262CS..Hα-helixtrans-65.1-44.4177.1-166.2118.9000111.6R668 Q669 S670 F674 A675 E676 W703 L704 Q707 D709 A710R668-L672 WeakPolarHBondContact O-CB 3.5Å; R668-L672 PolarHBondContact O-N 3.07Å; R668-L672 VanDerWaalsContact O-N 3.08Å; Q669-L672 VanDerWaalsContact O-CB 3.25Å; Q669-L672 WeakPolarHBondContact O-CB 3.4Å; Q669-L672 PolarHBondContact O-N 2.97Å; Q669-L672 VanDerWaalsContact O-N 3.16Å; S670-L672 VanDerWaalsContact C-N 3.3Å; S670-L672 PolarHBondContact O-N 2.89Å; L672-F674 VanDerWaalsContact C-N 3.3Å; L672-F674 PolarHBondContact O-N 3.22Å; L672-A675 PolarHBondContact O-N 3.15Å; L672-E676 PolarHBondContact O-N 3.32Å; L672-W703 HydrophobicContact CB-CZ3 4.34Å; L672-W703 HydrophobicContact CD1-CE3 4.3Å; L672-W703 HydrophobicContact CD1-CH2 4.05Å; L672-W703 HydrophobicContact CD1-CZ3 3.5Å; L672-L704 HydrophobicContact CB-CD2 4.4Å; L672-L704 HydrophobicContact CD1-CD2 3.74Å; L672-L704 HydrophobicContact CG-CD2 4.09Å; L672-Q707 HydrophobicContact CD1-CB 3.66Å; L672-Q707 HydrophobicContact CD1-CG 3.8Å; L672-D709 HydrophobicContact CD2-CB 3.95Å; L672-A710 HydrophobicContact CD1-CB 4.26Å; L672-A710 HydrophobicContact CG-CB 4.45Å
673S71.6Confident67.7Low50 Ų5043.3 Ų43.335%0.3524%0.236SC..Hα-helixtrans-61.4-37173.8230000112.4Q669 S670Q669-S673 PolarHBondContact O-N 3.29Å; Q669-S673 PolarHBondContact O-OG 2.85Å; S670-S673 PolarHBondContact O-N 2.8Å; S670-S673 PolarHBondContact O-OG 3.2Å
674F75.6Confident69.1Low1 Ų141.2 Ų41.20%0.00422%0.216CC..Hα-helixtrans-65.7-45.9173.6179.6-105.2000111.5F634 C635 V640 V645 S670 F671 L672 E676 K677 F678 V682F634-F674 HydrophobicContact CB-CD2 3.82Å; F634-F674 HydrophobicContact CB-CE2 3.78Å; C635-F674 WeakPolarHBondContact SG-CA 3.44Å; C635-F674 VanDerWaalsContact SG-CB 3.55Å; C635-F674 PolarHBondContact SG-N 3.39Å; V640-F674 HydrophobicContact CG2-CE2 4.42Å; V645-F674 HydrophobicContact CG2-CZ 4.24Å; S670-F674 PolarHBondContact O-N 3.41Å; F671-F674 HydrophobicContact CD2-CD1 4.36Å; F671-F674 HydrophobicContact CE2-CD1 4.13Å; F671-F674 WeakPolarHBondContact O-CB 3.49Å; F671-F674 PolarHBondContact O-N 2.96Å; L672-F674 VanDerWaalsContact C-N 3.3Å; L672-F674 PolarHBondContact O-N 3.22Å; F674-E676 VanDerWaalsContact C-N 3.33Å; F674-E676 PolarHBondContact O-N 2.66Å; F674-K677 PolarHBondContact O-N 3.13Å; F674-F678 AromaticContact CD2-CD2 3.92Å; F674-F678 HydrophobicContact CD2-CD2 3.92Å; F674-F678 HydrophobicContact CD2-CE2 4.25Å; F674-F678 AromaticContact CE2-CD2 3.55Å; F674-F678 HydrophobicContact CE2-CD2 3.55Å; F674-F678 AromaticContact CE2-CE2 3.86Å; F674-F678 HydrophobicContact CE2-CE2 3.86Å; F674-F678 HydrophobicContact CZ-CD2 4.05Å; F674-F678 PolarHBondContact O-N 3.11Å; F674-V682 HydrophobicContact CE1-CG2 4.24Å
675A71.6Confident70.4Confident0 Ų036.4 Ų36.40%019%0.186CC..Hα-helixtrans-68-27-178.800000113.8F671 L672 S679 V682 L704F671-A675 WeakPolarHBondContact O-CB 3.45Å; F671-A675 PolarHBondContact O-N 2.8Å; L672-A675 PolarHBondContact O-N 3.15Å; A675-S679 WeakPolarHBondContact O-CA 3.38Å; A675-S679 WeakPolarHBondContact O-CB 3.46Å; A675-S679 PolarHBondContact O-N 2.95Å; A675-V682 HydrophobicContact CB-CG1 4.28Å; A675-L704 HydrophobicContact CB-CD2 3.91Å
676E71.5Confident71.1Confident55 Ų5535.7 Ų35.726%0.25718%0.183SC..Hα-helixtrans-68.9-37.3173.9-94.1-134.1124.400112.9L672 F674 S711 C712L672-E676 PolarHBondContact O-N 3.32Å; F674-E676 VanDerWaalsContact C-N 3.33Å; F674-E676 PolarHBondContact O-N 2.66Å; E676-S711 PolarHBondContact OE1-N 3.42Å; E676-S711 PolarHBondContact OE1-OG 3.39Å; E676-C712 WeakPolarHBondContact O-CB 3.4Å; E676-C712 PolarHBondContact OE1-N 3.35Å
677K67.5Low71.6Confident106 Ų10634 Ų3446%0.46117%0.171SC..Hα-helixtrans-82.8-40.8-174.9-156.6-176-175.9-163.10112.9C635 H636 L637 F674 S679C635-K677 WeakPolarHBondContact O-CD 3.38Å; C635-K677 WeakPolarHBondContact O-CE 3.42Å; C635-K677 PolarHBondContact O-NZ 3.45Å; H636-K677 PolarHBondContact O-NZ 2.99Å; L637-K677 PolarHBondContact O-NZ 3.36Å; F674-K677 PolarHBondContact O-N 3.13Å; K677-S679 VanDerWaalsContact C-N 3.33Å
678F71.2Confident71.9Confident18 Ų1838.1 Ų38.18%0.07919%0.192CC..THydrogen-bonded Turntrans-101.639.5175.4-59.8-75.7000111.5L637 V640 F674 S680 Q681 V682L637-F678 WeakPolarHBondContact O-CZ 3.33Å; V640-F678 HydrophobicContact CB-CZ 4.4Å; V640-F678 HydrophobicContact CG2-CD2 4.5Å; V640-F678 HydrophobicContact CG2-CE1 4.16Å; V640-F678 HydrophobicContact CG2-CE2 3.79Å; V640-F678 HydrophobicContact CG2-CZ 3.59Å; F674-F678 AromaticContact CD2-CD2 3.92Å; F674-F678 HydrophobicContact CD2-CD2 3.92Å; F674-F678 HydrophobicContact CD2-CE2 4.25Å; F674-F678 AromaticContact CE2-CD2 3.55Å; F674-F678 HydrophobicContact CE2-CD2 3.55Å; F674-F678 AromaticContact CE2-CE2 3.86Å; F674-F678 HydrophobicContact CE2-CE2 3.86Å; F674-F678 HydrophobicContact CZ-CD2 4.05Å; F674-F678 PolarHBondContact O-N 3.11Å; F678-S680 VanDerWaalsContact C-N 3.27Å; F678-S680 PolarHBondContact O-N 3.11Å; F678-Q681 PolarHBondContact O-N 2.95Å; F678-V682 HydrophobicContact CB-CG2 4.49Å; F678-V682 WeakPolarHBondContact O-CG2 3.38Å; F678-V682 PolarHBondContact O-N 2.83Å
679S70.2Confident71.5Confident15 Ų1541.7 Ų41.711%0.10521%0.209CC..Hα-helixtrans-56.8-38.5-173.658.50000112.8A675 K677 V683A675-S679 WeakPolarHBondContact O-CA 3.38Å; A675-S679 WeakPolarHBondContact O-CB 3.46Å; A675-S679 PolarHBondContact O-N 2.95Å; K677-S679 VanDerWaalsContact C-N 3.33Å; S679-V683 WeakPolarHBondContact O-CB 3.43Å; S679-V683 WeakPolarHBondContact O-CG2 3.47Å; S679-V683 PolarHBondContact O-N 3.24Å
680S72.7Confident71.3Confident59 Ų5937.7 Ų37.741%0.41319%0.192SC..Hα-helixtrans-62.2-48.5178.572.40000112.4F678 E684F678-S680 VanDerWaalsContact C-N 3.27Å; F678-S680 PolarHBondContact O-N 3.11Å; S680-E684 WeakPolarHBondContact O-CB 3.33Å; S680-E684 PolarHBondContact O-N 3.1Å
681Q74.9Confident71.1Confident66 Ų6637.7 Ų37.731%0.30819%0.194SC..Hα-helixtrans-71.3-39-176.6-66.5169.9-15.100112.1F678 E684 W685F678-Q681 PolarHBondContact O-N 2.95Å; Q681-E684 WeakPolarHBondContact O-CB 3.41Å; Q681-E684 PolarHBondContact O-N 2.82Å; Q681-W685 PolarHBondContact O-N 2.95Å
682V73.4Confident70.4Confident3 Ų337.6 Ų37.62%0.01819%0.194CC..Hα-helixtrans-69.4-39.7177.1175.90000110.8V645 F674 A675 F678 E684 W685 F686 F713V645-V682 HydrophobicContact CG1-CG2 4.17Å; F674-V682 HydrophobicContact CE1-CG2 4.24Å; A675-V682 HydrophobicContact CB-CG1 4.28Å; F678-V682 HydrophobicContact CB-CG2 4.49Å; F678-V682 WeakPolarHBondContact O-CG2 3.38Å; F678-V682 PolarHBondContact O-N 2.83Å; V682-E684 VanDerWaalsContact C-N 3.34Å; V682-W685 WeakPolarHBondContact O-CB 3.46Å; V682-W685 PolarHBondContact O-N 3.48Å; V682-F686 HydrophobicContact CG1-CD2 3.86Å; V682-F686 HydrophobicContact CG1-CE2 3.71Å; V682-F686 VanDerWaalsContact O-CD2 3.24Å; V682-F686 WeakPolarHBondContact O-CD2 3.48Å; V682-F686 PolarHBondContact O-N 3.28Å; V682-F713 HydrophobicContact CG1-CE2 4.3Å
683V71.3Confident69.7Low1 Ų144 Ų441%0.00622%0.221CC..Hα-helixtrans-64.4-40.5172.9172.10000110.6S679 W685 F686 L687 F713 I717 Q720S679-V683 WeakPolarHBondContact O-CB 3.43Å; S679-V683 WeakPolarHBondContact O-CG2 3.47Å; S679-V683 PolarHBondContact O-N 3.24Å; V683-W685 VanDerWaalsContact C-N 3.31Å; V683-W685 PolarHBondContact O-N 3.47Å; V683-F686 PolarHBondContact O-N 3.06Å; V683-L687 HydrophobicContact CG1-CD1 3.46Å; V683-L687 VanDerWaalsContact CG1-CD1 3.46Å; V683-L687 HydrophobicContact CG1-CG 4.13Å; V683-L687 WeakPolarHBondContact O-CB 3.36Å; V683-L687 WeakPolarHBondContact O-CG 3.43Å; V683-L687 PolarHBondContact O-N 3.33Å; V683-F713 HydrophobicContact CG2-CD2 3.57Å; V683-F713 HydrophobicContact CG2-CE2 3.36Å; V683-F713 HydrophobicContact CG2-CG 4.5Å; V683-F713 HydrophobicContact CG2-CZ 4.17Å; V683-I717 HydrophobicContact CG1-CG1 4.09Å; V683-I717 HydrophobicContact CG2-CD1 4.31Å; V683-I717 HydrophobicContact CG2-CG1 3.81Å; V683-Q720 VanDerWaalsContact CG1-OE1 3.25Å
684E75Confident69.2Low98 Ų9843.7 Ų43.746%0.45822%0.219SC..Hα-helixtrans-61.3-38.6174.3-140172.5-158.100112.1S680 Q681 V682 I688 K689S680-E684 WeakPolarHBondContact O-CB 3.33Å; S680-E684 PolarHBondContact O-N 3.1Å; Q681-E684 WeakPolarHBondContact O-CB 3.41Å; Q681-E684 PolarHBondContact O-N 2.82Å; V682-E684 VanDerWaalsContact C-N 3.34Å; E684-I688 HydrophobicContact CG-CB 4.29Å; E684-I688 HydrophobicContact CG-CD1 3.52Å; E684-I688 HydrophobicContact CG-CG1 3.99Å; E684-I688 WeakPolarHBondContact O-CA 3.49Å; E684-I688 VanDerWaalsContact O-CB 3.25Å; E684-I688 WeakPolarHBondContact O-CB 3.19Å; E684-I688 PolarHBondContact O-N 2.91Å; E684-K689 PolarHBondContact O-N 3.28Å; E684-K689 VanDerWaalsContact O-N 3.16Å
685W75.1Confident68.7Low11 Ų1147.7 Ų47.74%0.04225%0.245CC..Iπ-helixtrans-63.9-48.6174.9-174.384.1000112.5D646 A649 E650 L653 Q681 V682 V683 N690 V697D646-W685 PolarHBondContact OD1-NE1 3.01Å; A649-W685 HydrophobicContact CB-CD2 4.2Å; A649-W685 HydrophobicContact CB-CE3 4.28Å; A649-W685 HydrophobicContact CB-CH2 3.71Å; A649-W685 HydrophobicContact CB-CZ2 3.59Å; A649-W685 HydrophobicContact CB-CZ3 4.07Å; E650-W685 HydrophobicContact CG-CZ2 4.49Å; L653-W685 HydrophobicContact CD1-CH2 3.66Å; L653-W685 HydrophobicContact CD1-CZ3 4.4Å; Q681-W685 PolarHBondContact O-N 2.95Å; V682-W685 WeakPolarHBondContact O-CB 3.46Å; V682-W685 PolarHBondContact O-N 3.48Å; V683-W685 VanDerWaalsContact C-N 3.31Å; V683-W685 PolarHBondContact O-N 3.47Å; W685-N690 VanDerWaalsContact CE2-ND2 3.27Å; W685-N690 WeakPolarHBondContact CH2-ND2 3.35Å; W685-N690 WeakPolarHBondContact CZ2-ND2 3.35Å; W685-N690 PolarHBondContact O-N 2.9Å; W685-V697 HydrophobicContact CH2-CG2 4.28Å; W685-V697 HydrophobicContact CZ3-CG1 4.3Å
686F73.9Confident68.4Low1 Ų149.5 Ų49.50%0.00426%0.258CS..Iπ-helixtrans-64.8-46.8178.4-83-69.4000112.5V682 V683 L692 V697 L700 Y701 L704 F713V682-F686 HydrophobicContact CG1-CD2 3.86Å; V682-F686 HydrophobicContact CG1-CE2 3.71Å; V682-F686 VanDerWaalsContact O-CD2 3.24Å; V682-F686 WeakPolarHBondContact O-CD2 3.48Å; V682-F686 PolarHBondContact O-N 3.28Å; V683-F686 PolarHBondContact O-N 3.06Å; F686-L692 PolarHBondContact O-N 3.22Å; F686-V697 HydrophobicContact CD1-CG1 3.59Å; F686-V697 HydrophobicContact CE1-CG1 3.59Å; F686-L700 HydrophobicContact CZ-CD2 4.17Å; F686-Y701 HydrophobicContact CB-CD2 4.38Å; F686-Y701 HydrophobicContact CD1-CD2 4.14Å; F686-Y701 HydrophobicContact CD1-CG 4.46Å; F686-Y701 HydrophobicContact CD2-CD2 4.33Å; F686-Y701 HydrophobicContact CG-CD2 4.06Å; F686-L704 HydrophobicContact CE2-CD1 4.09Å; F686-L704 HydrophobicContact CZ-CD1 4.16Å; F686-F713 HydrophobicContact CD2-CZ 4.46Å
687L67.6Low68.4Low5 Ų547 Ų473%0.02625%0.247CC..Iπ-helixtrans-89.1-37.6-170.7-64.7178.5000113.8V683 L692 V723 L724 L727V683-L687 HydrophobicContact CG1-CD1 3.46Å; V683-L687 VanDerWaalsContact CG1-CD1 3.46Å; V683-L687 HydrophobicContact CG1-CG 4.13Å; V683-L687 WeakPolarHBondContact O-CB 3.36Å; V683-L687 WeakPolarHBondContact O-CG 3.43Å; V683-L687 PolarHBondContact O-N 3.33Å; L687-L692 HydrophobicContact CD2-CD1 4.38Å; L687-V723 HydrophobicContact CB-CG1 4.46Å; L687-L724 HydrophobicContact CD2-CD2 3.8Å; L687-L724 HydrophobicContact CD2-CG 4.49Å; L687-L727 HydrophobicContact CB-CD1 4.16Å; L687-L727 HydrophobicContact CD2-CD1 3.73Å
688I69.7Low68.5Low99 Ų9942.4 Ų42.451%0.50823%0.227SC..Iπ-helixtrans-101.4-53.1-173.7-50.8-169.5000112.1E684E684-I688 HydrophobicContact CG-CB 4.29Å; E684-I688 HydrophobicContact CG-CD1 3.52Å; E684-I688 HydrophobicContact CG-CG1 3.99Å; E684-I688 WeakPolarHBondContact O-CA 3.49Å; E684-I688 VanDerWaalsContact O-CB 3.25Å; E684-I688 WeakPolarHBondContact O-CB 3.19Å; E684-I688 PolarHBondContact O-N 2.91Å
689K64.5Low68.6Low118 Ų11845.3 Ų45.351%0.51325%0.248SC..Iπ-helixtrans-73.2-52.2-175.3-82.5-176179.2176.30113.6D646 E684D646-K689 IonicContact OD1-NZ 3.45Å; D646-K689 PolarHBondContact OD1-NZ 3.34Å; D646-K689 IonicContact OD2-NZ 3.17Å; D646-K689 PolarHBondContact OD2-NZ 3.05Å; E684-K689 PolarHBondContact O-N 3.28Å; E684-K689 VanDerWaalsContact O-N 3.16Å
690N63.7Low68.9Low52 Ų5244.6 Ų44.628%0.27824%0.244SC..SBendtrans-89-21.3-175.8-94.1-21.9000114.2W685 L692 K693W685-N690 VanDerWaalsContact CE2-ND2 3.27Å; W685-N690 WeakPolarHBondContact CH2-ND2 3.35Å; W685-N690 WeakPolarHBondContact CZ2-ND2 3.35Å; W685-N690 PolarHBondContact O-N 2.9Å; N690-L692 PolarHBondContact O-N 3.24Å; N690-K693 VanDerWaalsContact O-CG 3.29Å; N690-K693 WeakPolarHBondContact O-CG 3.32Å; N690-K693 PolarHBondContact O-N 2.97Å
691G61.1Low69.1Low16 Ų1641.9 Ų41.917%0.16522%0.224CC..THydrogen-bonded Turntrans54.933.4-179.600000113.8K693G691-K693 VanDerWaalsContact C-N 3.26Å; G691-K693 PolarHBondContact O-N 2.86Å; G691-K693 VanDerWaalsContact O-N 3.17Å
692L62.5Low69.1Low2 Ų241.3 Ų41.31%0.0122%0.219CC..THydrogen-bonded Turntrans4937.7-178.4-68163.2000114.7F686 L687 N690 I698 Y701 I749 A752F686-L692 PolarHBondContact O-N 3.22Å; L687-L692 HydrophobicContact CD2-CD1 4.38Å; N690-L692 PolarHBondContact O-N 3.24Å; L692-I698 HydrophobicContact CB-CG1 4.5Å; L692-I698 HydrophobicContact CD2-CG1 4.38Å; L692-Y701 HydrophobicContact CD2-CD1 4.06Å; L692-Y701 HydrophobicContact CD2-CG 4.1Å; L692-I749 HydrophobicContact CB-CG1 4.34Å; L692-A752 HydrophobicContact CD1-CB 4.31Å
693K60Low69.3Low148 Ų14843.7 Ų43.764%0.64323%0.228SC*.  trans-77.4-22.3-172.1-73.1174.6-175.7173.20116.9N690 G691N690-K693 VanDerWaalsContact O-CG 3.29Å; N690-K693 WeakPolarHBondContact O-CG 3.32Å; N690-K693 PolarHBondContact O-N 2.97Å; G691-K693 VanDerWaalsContact C-N 3.26Å; G691-K693 PolarHBondContact O-N 2.86Å; G691-K693 VanDerWaalsContact O-N 3.17Å
694S60.6Low69.4Low43 Ų4343.8 Ų43.830%0.30123%0.228SC..SBendtrans-116.3142-173.269.10000113.6S696 V697 I698S694-S696 VanDerWaalsContact C-N 3.32Å; S694-S696 PolarHBondContact O-N 3.16Å; S694-V697 WeakPolarHBondContact O-CB 3.43Å; S694-V697 PolarHBondContact O-N 2.91Å; S694-V697 WeakPolarHBondContact OG-CB 3.42Å; S694-V697 WeakPolarHBondContact OG-CG2 3.22Å; S694-I698 WeakPolarHBondContact O-CG1 3.46Å; S694-I698 PolarHBondContact O-N 3.09Å; S694-I698 VanDerWaalsContact O-N 3.14Å
695P64.6Low69.2Low86 Ų8639.1 Ų39.156%0.55821%0.207SC*.Hα-helixtrans-65.4-30.9-172.421.8-31.9000113.7I698 C699P695-I698 PolarHBondContact O-N 3.41Å; P695-C699 PolarHBondContact O-N 3.09Å; P695-C699 VanDerWaalsContact O-N 3.1Å
696S66.3Low69Low38 Ų3845 Ų4527%0.26623%0.233SC..Hα-helixtrans-67.6-41.3174.745.20000112.1S694 I698 C699 L700S694-S696 VanDerWaalsContact C-N 3.32Å; S694-S696 PolarHBondContact O-N 3.16Å; S696-I698 VanDerWaalsContact C-N 3.34Å; S696-I698 PolarHBondContact O-N 3.48Å; S696-C699 WeakPolarHBondContact O-CB 3.27Å; S696-C699 PolarHBondContact O-N 2.76Å; S696-L700 PolarHBondContact O-N 3.36Å; S696-L700 VanDerWaalsContact O-N 3.11Å
697V70.3Confident69Low3 Ų348.2 Ų48.22%0.01825%0.247CC..Hα-helixtrans-62.2-41.7174171.20000111L653 W685 F686 S694 C699 L700 Y701L653-V697 HydrophobicContact CD1-CG2 3.48Å; L653-V697 VanDerWaalsContact CD1-CG2 3.48Å; L653-V697 HydrophobicContact CD2-CG2 4.04Å; L653-V697 HydrophobicContact CG-CG2 4.45Å; W685-V697 HydrophobicContact CH2-CG2 4.28Å; W685-V697 HydrophobicContact CZ3-CG1 4.3Å; F686-V697 HydrophobicContact CD1-CG1 3.59Å; F686-V697 HydrophobicContact CE1-CG1 3.59Å; S694-V697 WeakPolarHBondContact O-CB 3.43Å; S694-V697 PolarHBondContact O-N 2.91Å; S694-V697 WeakPolarHBondContact OG-CB 3.42Å; S694-V697 WeakPolarHBondContact OG-CG2 3.22Å; V697-C699 VanDerWaalsContact C-N 3.32Å; V697-C699 PolarHBondContact O-N 3.41Å; V697-L700 PolarHBondContact O-N 3.12Å; V697-Y701 VanDerWaalsContact O-CB 3.32Å; V697-Y701 WeakPolarHBondContact O-CB 3.38Å; V697-Y701 PolarHBondContact O-N 3.18Å
698I70.1Confident69Low9 Ų958.7 Ų58.75%0.04629%0.287CS..Hα-helixtrans-64.7-37.4178.3-64.3170.2000111.4L692 S694 P695 S696 R702 E748 A752L692-I698 HydrophobicContact CB-CG1 4.5Å; L692-I698 HydrophobicContact CD2-CG1 4.38Å; S694-I698 WeakPolarHBondContact O-CG1 3.46Å; S694-I698 PolarHBondContact O-N 3.09Å; S694-I698 VanDerWaalsContact O-N 3.14Å; P695-I698 PolarHBondContact O-N 3.41Å; S696-I698 VanDerWaalsContact C-N 3.34Å; S696-I698 PolarHBondContact O-N 3.48Å; I698-R702 WeakPolarHBondContact O-CB 3.42Å; I698-R702 PolarHBondContact O-N 3.13Å; I698-E748 HydrophobicContact CD1-CB 3.78Å; I698-E748 HydrophobicContact CD1-CG 4.3Å; I698-E748 WeakPolarHBondContact CD1-OE2 3.48Å; I698-A752 HydrophobicContact CG2-CB 4.43Å
699C74Confident68.6Low78 Ų7859 Ų5953%0.52729%0.289SS..Hα-helixtrans-64.6-47175.9-102.20000112.1P695 S696 V697 R702 W703P695-C699 PolarHBondContact O-N 3.09Å; P695-C699 VanDerWaalsContact O-N 3.1Å; S696-C699 WeakPolarHBondContact O-CB 3.27Å; S696-C699 PolarHBondContact O-N 2.76Å; V697-C699 VanDerWaalsContact C-N 3.32Å; V697-C699 PolarHBondContact O-N 3.41Å; C699-R702 PolarHBondContact O-N 3.02Å; C699-W703 WeakPolarHBondContact O-CB 3.3Å; C699-W703 PolarHBondContact O-N 3.45Å
700L74.6Confident68.9Low1 Ų153.4 Ų53.41%0.00527%0.265CS..Hα-helixtrans-62.3-44.9176.6-163.676.1000111.1R668 F671 F686 S696 V697 W703 L704R668-L700 HydrophobicContact CG-CD1 4.08Å; F671-L700 HydrophobicContact CD1-CD2 4.46Å; F671-L700 HydrophobicContact CE1-CD2 4.05Å; F686-L700 HydrophobicContact CZ-CD2 4.17Å; S696-L700 PolarHBondContact O-N 3.36Å; S696-L700 VanDerWaalsContact O-N 3.11Å; V697-L700 PolarHBondContact O-N 3.12Å; L700-W703 PolarHBondContact O-N 3.28Å; L700-L704 HydrophobicContact CG-CD1 4.41Å; L700-L704 PolarHBondContact O-N 2.81Å
701Y78.8Confident69.2Low1 Ų154.1 Ų54.10%0.00427%0.274CS..Hα-helixtrans-59.4-47.7175.8177.9-106.6000112.6F686 L692 V697 W703 L704 L705 F713 I717F686-Y701 HydrophobicContact CB-CD2 4.38Å; F686-Y701 HydrophobicContact CD1-CD2 4.14Å; F686-Y701 HydrophobicContact CD1-CG 4.46Å; F686-Y701 HydrophobicContact CD2-CD2 4.33Å; F686-Y701 HydrophobicContact CG-CD2 4.06Å; L692-Y701 HydrophobicContact CD2-CD1 4.06Å; L692-Y701 HydrophobicContact CD2-CG 4.1Å; V697-Y701 VanDerWaalsContact O-CB 3.32Å; V697-Y701 WeakPolarHBondContact O-CB 3.38Å; V697-Y701 PolarHBondContact O-N 3.18Å; Y701-W703 VanDerWaalsContact C-N 3.27Å; Y701-W703 PolarHBondContact O-N 2.75Å; Y701-L704 PolarHBondContact O-N 3.07Å; Y701-L705 HydrophobicContact CD1-CD1 3.96Å; Y701-L705 HydrophobicContact CE1-CD1 3.41Å; Y701-L705 VanDerWaalsContact CE1-CD1 3.41Å; Y701-L705 HydrophobicContact CE2-CD1 4.09Å; Y701-L705 VanDerWaalsContact CZ-CD1 3.49Å; Y701-L705 PolarHBondContact O-N 2.91Å; Y701-L705 VanDerWaalsContact O-N 3.13Å; Y701-F713 HydrophobicContact CD2-CZ 4.1Å; Y701-F713 HydrophobicContact CE2-CE1 4.33Å; Y701-F713 HydrophobicContact CE2-CZ 4.03Å; Y701-I717 HydrophobicContact CE2-CD1 4.08Å
702R74.6Confident69.7Low54 Ų5455.9 Ų55.920%0.20428%0.283CS..Hα-helixtrans-63.1-32.6176.1-89-175.7177.6156.83.9112.8I698 C699 K706 A751 Y755I698-R702 WeakPolarHBondContact O-CB 3.42Å; I698-R702 PolarHBondContact O-N 3.13Å; C699-R702 PolarHBondContact O-N 3.02Å; R702-K706 PolarHBondContact O-N 3.03Å; R702-A751 PolarHBondContact NH2-O 3.43Å; R702-A751 VanDerWaalsContact NH2-O 3.15Å; R702-Y755 HydrophobicContact CB-CE1 4.46Å; R702-Y755 HydrophobicContact CG-CD1 3.9Å; R702-Y755 HydrophobicContact CG-CE1 4.04Å
703W76.7Confident70.2Confident54 Ų5455.9 Ų55.921%0.20528%0.283CS..Hα-helixtrans-71.8-46.3178.2-174.393.1000111.4R668 L672 C699 L700 Y701 L705 K706 Q707R668-W703 HydrophobicContact CB-CD2 4.37Å; R668-W703 HydrophobicContact CB-CE3 4.04Å; R668-W703 HydrophobicContact CB-CH2 3.49Å; R668-W703 VanDerWaalsContact CB-CH2 3.49Å; R668-W703 HydrophobicContact CB-CZ2 3.81Å; R668-W703 HydrophobicContact CB-CZ3 3.61Å; R668-W703 HydrophobicContact CG-CE3 4.45Å; R668-W703 HydrophobicContact CG-CZ3 4.47Å; R668-W703 WeakPolarHBondContact O-CH2 3.39Å; R668-W703 VanDerWaalsContact O-CZ3 3.31Å; R668-W703 WeakPolarHBondContact O-CZ3 3.23Å; L672-W703 HydrophobicContact CB-CZ3 4.34Å; L672-W703 HydrophobicContact CD1-CE3 4.3Å; L672-W703 HydrophobicContact CD1-CH2 4.05Å; L672-W703 HydrophobicContact CD1-CZ3 3.5Å; C699-W703 WeakPolarHBondContact O-CB 3.3Å; C699-W703 PolarHBondContact O-N 3.45Å; L700-W703 PolarHBondContact O-N 3.28Å; Y701-W703 VanDerWaalsContact C-N 3.27Å; Y701-W703 PolarHBondContact O-N 2.75Å; W703-L705 VanDerWaalsContact C-N 3.29Å; W703-L705 PolarHBondContact O-N 3.07Å; W703-K706 WeakPolarHBondContact O-CB 3.44Å; W703-K706 PolarHBondContact O-N 3.39Å; W703-Q707 HydrophobicContact CD2-CG 4.21Å; W703-Q707 VanDerWaalsContact CE2-NE2 3.33Å; W703-Q707 HydrophobicContact CE3-CG 4.19Å; W703-Q707 HydrophobicContact CH2-CG 3.84Å; W703-Q707 HydrophobicContact CZ2-CG 3.88Å; W703-Q707 HydrophobicContact CZ3-CG 4Å; W703-Q707 PolarHBondContact O-N 2.97Å
704L73.5Confident70.9Confident2 Ų250.6 Ų50.61%0.0126%0.259CS..Hα-helixtrans-55.4-43.1173.9-85.1154.1000111.8F671 L672 A675 F686 L700 Y701 K706 Q707 F713F671-L704 HydrophobicContact CD1-CD1 4.39Å; F671-L704 HydrophobicContact CE1-CD1 4.17Å; L672-L704 HydrophobicContact CB-CD2 4.4Å; L672-L704 HydrophobicContact CD1-CD2 3.74Å; L672-L704 HydrophobicContact CG-CD2 4.09Å; A675-L704 HydrophobicContact CB-CD2 3.91Å; F686-L704 HydrophobicContact CE2-CD1 4.09Å; F686-L704 HydrophobicContact CZ-CD1 4.16Å; L700-L704 HydrophobicContact CG-CD1 4.41Å; L700-L704 PolarHBondContact O-N 2.81Å; Y701-L704 PolarHBondContact O-N 3.07Å; L704-K706 PolarHBondContact O-N 2.98Å; L704-Q707 PolarHBondContact O-N 3.07Å; L704-F713 HydrophobicContact CB-CD1 4.48Å; L704-F713 HydrophobicContact CB-CE1 4.05Å; L704-F713 HydrophobicContact CB-CZ 4.5Å
705L70.3Confident71.4Confident1 Ų150.8 Ų50.81%0.00526%0.261CS..THydrogen-bonded Turntrans-65.9-19.4174.9-84.6164.4000114.7Y701 W703 F713 R714 I717 Y755Y701-L705 HydrophobicContact CD1-CD1 3.96Å; Y701-L705 HydrophobicContact CE1-CD1 3.41Å; Y701-L705 VanDerWaalsContact CE1-CD1 3.41Å; Y701-L705 HydrophobicContact CE2-CD1 4.09Å; Y701-L705 VanDerWaalsContact CZ-CD1 3.49Å; Y701-L705 PolarHBondContact O-N 2.91Å; Y701-L705 VanDerWaalsContact O-N 3.13Å; W703-L705 VanDerWaalsContact C-N 3.29Å; W703-L705 PolarHBondContact O-N 3.07Å; L705-F713 HydrophobicContact CG-CE1 4.32Å; L705-R714 HydrophobicContact CD2-CG 4.13Å; L705-I717 HydrophobicContact CD2-CD1 4.25Å; L705-Y755 HydrophobicContact CB-CE1 4.34Å; L705-Y755 HydrophobicContact CD1-CD1 4.49Å
706K72.1Confident71.7Confident135 Ų13548.8 Ų48.859%0.58724%0.244SC*.THydrogen-bonded Turntrans-84.2-30.8-178.8-105.7-177.8179.2178.40113.5R702 W703 L704 Y755R702-K706 PolarHBondContact O-N 3.03Å; W703-K706 WeakPolarHBondContact O-CB 3.44Å; W703-K706 PolarHBondContact O-N 3.39Å; L704-K706 PolarHBondContact O-N 2.98Å; K706-Y755 VanDerWaalsContact CG-OH 3.29Å; K706-Y755 WeakPolarHBondContact CG-OH 3.33Å
707Q73.5Confident71.8Confident67 Ų6747 Ų4731%0.31323%0.231SC..  trans-75.2143.1-168.9-71-63.2000112.5L672 W703 L704 D709 R714L672-Q707 HydrophobicContact CD1-CB 3.66Å; L672-Q707 HydrophobicContact CD1-CG 3.8Å; W703-Q707 HydrophobicContact CD2-CG 4.21Å; W703-Q707 VanDerWaalsContact CE2-NE2 3.33Å; W703-Q707 HydrophobicContact CE3-CG 4.19Å; W703-Q707 HydrophobicContact CH2-CG 3.84Å; W703-Q707 HydrophobicContact CZ2-CG 3.88Å; W703-Q707 HydrophobicContact CZ3-CG 4Å; W703-Q707 PolarHBondContact O-N 2.97Å; L704-Q707 PolarHBondContact O-N 3.07Å; Q707-D709 VanDerWaalsContact C-N 3.29Å; Q707-D709 PolarHBondContact O-N 3.1Å; Q707-R714 PolarHBondContact O-NH2 3.29Å
708R66.6Low71.8Confident226 Ų22648.2 Ų48.285%0.85324%0.24SC*.SBendtrans-64.5-34-175.8-72.6-175.4178.1176.1-0.2112.4R714R708-R714 VanDerWaalsContact C-NH2 3.29Å; R708-R714 PolarHBondContact O-NH2 3.4Å
709D62.9Low71.8Confident105 Ų10554.3 Ų54.356%0.56127%0.266SS*.SBendtrans-83-18.3-169.8-51.4-28.5000113.4L672 Q707 S711L672-D709 HydrophobicContact CD2-CB 3.95Å; Q707-D709 VanDerWaalsContact C-N 3.29Å; Q707-D709 PolarHBondContact O-N 3.1Å; D709-S711 PolarHBondContact O-N 2.97Å
710A69.8Low71.6Confident1 Ų152.9 Ų52.91%0.00825%0.252CS..  trans-77.262.1-179.700000113.6L672 F713 R714L672-A710 HydrophobicContact CD1-CB 4.26Å; L672-A710 HydrophobicContact CG-CB 4.45Å; A710-F713 HydrophobicContact CB-CB 4.33Å; A710-R714 WeakPolarHBondContact O-CG 3.49Å; A710-R714 PolarHBondContact O-N 2.92Å; A710-R714 PolarHBondContact O-NE 3.21Å; A710-R714 VanDerWaalsContact O-NE 3.09Å
711S70Confident71.1Confident66 Ų6653.4 Ų53.446%0.46226%0.255SS..Hα-helixtrans-77.4-46.6-176.865.90000112.4E676 D709 R714 S715E676-S711 PolarHBondContact OE1-N 3.42Å; E676-S711 PolarHBondContact OE1-OG 3.39Å; D709-S711 PolarHBondContact O-N 2.97Å; S711-R714 PolarHBondContact O-N 3.48Å; S711-S715 PolarHBondContact O-N 3.09Å; S711-S715 PolarHBondContact O-OG 2.64Å
712C71Confident70.6Confident54 Ų5458.4 Ų58.437%0.36528%0.282SS..Hα-helixtrans-67.2-38.7179.6-72.30000112.1E676 S715 E716E676-C712 WeakPolarHBondContact O-CB 3.4Å; E676-C712 PolarHBondContact OE1-N 3.35Å; C712-S715 WeakPolarHBondContact CA-OG 3.16Å; C712-S715 PolarHBondContact O-N 3.47Å; C712-S715 PolarHBondContact O-OG 3.08Å; C712-E716 PolarHBondContact O-N 3.01Å
713F74.1Confident70.2Confident1 Ų157.5 Ų57.50%0.00428%0.283CS..Hα-helixtrans-62.3-42.2173.5-177.2-101.7000111.5V682 V683 F686 Y701 L704 L705 A710 I717V682-F713 HydrophobicContact CG1-CE2 4.3Å; V683-F713 HydrophobicContact CG2-CD2 3.57Å; V683-F713 HydrophobicContact CG2-CE2 3.36Å; V683-F713 HydrophobicContact CG2-CG 4.5Å; V683-F713 HydrophobicContact CG2-CZ 4.17Å; F686-F713 HydrophobicContact CD2-CZ 4.46Å; Y701-F713 HydrophobicContact CD2-CZ 4.1Å; Y701-F713 HydrophobicContact CE2-CE1 4.33Å; Y701-F713 HydrophobicContact CE2-CZ 4.03Å; L704-F713 HydrophobicContact CB-CD1 4.48Å; L704-F713 HydrophobicContact CB-CE1 4.05Å; L704-F713 HydrophobicContact CB-CZ 4.5Å; L705-F713 HydrophobicContact CG-CE1 4.32Å; A710-F713 HydrophobicContact CB-CB 4.33Å; F713-I717 HydrophobicContact CD1-CD1 3.72Å; F713-I717 HydrophobicContact CE1-CD1 3.33Å; F713-I717 HydrophobicContact CE2-CD1 4.27Å; F713-I717 HydrophobicContact CG-CD1 4.34Å; F713-I717 HydrophobicContact CZ-CD1 3.65Å; F713-I717 VanDerWaalsContact O-CG1 3.26Å; F713-I717 WeakPolarHBondContact O-CG1 3.42Å; F713-I717 PolarHBondContact O-N 3.08Å; F713-I717 VanDerWaalsContact O-N 3.15Å
714R75.2Confident69.6Low37 Ų3755 Ų5514%0.1427%0.273CS..Hα-helixtrans-67.6-39.6175.2-83-177-95.6137.1-3.3112.5L705 Q707 R708 A710 S711 S718 L760L705-R714 HydrophobicContact CD2-CG 4.13Å; Q707-R714 PolarHBondContact O-NH2 3.29Å; R708-R714 VanDerWaalsContact C-NH2 3.29Å; R708-R714 PolarHBondContact O-NH2 3.4Å; A710-R714 WeakPolarHBondContact O-CG 3.49Å; A710-R714 PolarHBondContact O-N 2.92Å; A710-R714 PolarHBondContact O-NE 3.21Å; A710-R714 VanDerWaalsContact O-NE 3.09Å; S711-R714 PolarHBondContact O-N 3.48Å; R714-S718 PolarHBondContact O-N 3.08Å; R714-L760 HydrophobicContact CB-CD2 4.09Å; R714-L760 HydrophobicContact CG-CD2 4.32Å
715S70.8Confident69.2Low48 Ų4856.2 Ų56.234%0.33628%0.28SS..Hα-helixtrans-66.2-39.4177.863.20000112.1S711 C712 S718 K719S711-S715 PolarHBondContact O-N 3.09Å; S711-S715 PolarHBondContact O-OG 2.64Å; C712-S715 WeakPolarHBondContact CA-OG 3.16Å; C712-S715 PolarHBondContact O-N 3.47Å; C712-S715 PolarHBondContact O-OG 3.08Å; S715-S718 WeakPolarHBondContact O-CB 3.2Å; S715-S718 PolarHBondContact O-N 3.26Å; S715-S718 VanDerWaalsContact O-N 3.14Å; S715-S718 PolarHBondContact O-OG 2.95Å; S715-K719 PolarHBondContact O-N 3.15Å; S715-K719 VanDerWaalsContact O-N 3.08Å
716E69.9Low69Low44 Ų4462 Ų6221%0.20631%0.307CS..Hα-helixtrans-72.4-35.4-179.8-139.359.2-161.800112.2C712 S718 K719 Q720C712-E716 PolarHBondContact O-N 3.01Å; E716-S718 VanDerWaalsContact C-N 3.29Å; E716-S718 PolarHBondContact O-N 3.38Å; E716-K719 PolarHBondContact O-N 3.4Å; E716-K719 IonicContact OE1-NZ 3.82Å; E716-K719 PolarHBondContact OE1-NZ 3.32Å; E716-K719 WeakPolarHBondContact OE2-CE 3.26Å; E716-K719 IonicContact OE2-NZ 3.32Å; E716-K719 PolarHBondContact OE2-NZ 3.32Å; E716-Q720 PolarHBondContact O-N 3.18Å
717I69.3Low68.5Low0 Ų056.6 Ų56.60%028%0.284CS..Hα-helixtrans-62.5-37.4168-68.4172.5000111.1V683 Y701 L705 F713 K719 Q720 S721 L724 L760V683-I717 HydrophobicContact CG1-CG1 4.09Å; V683-I717 HydrophobicContact CG2-CD1 4.31Å; V683-I717 HydrophobicContact CG2-CG1 3.81Å; Y701-I717 HydrophobicContact CE2-CD1 4.08Å; L705-I717 HydrophobicContact CD2-CD1 4.25Å; F713-I717 HydrophobicContact CD1-CD1 3.72Å; F713-I717 HydrophobicContact CE1-CD1 3.33Å; F713-I717 HydrophobicContact CE2-CD1 4.27Å; F713-I717 HydrophobicContact CG-CD1 4.34Å; F713-I717 HydrophobicContact CZ-CD1 3.65Å; F713-I717 VanDerWaalsContact O-CG1 3.26Å; F713-I717 WeakPolarHBondContact O-CG1 3.42Å; F713-I717 PolarHBondContact O-N 3.08Å; F713-I717 VanDerWaalsContact O-N 3.15Å; I717-K719 VanDerWaalsContact C-N 3.3Å; I717-K719 PolarHBondContact O-N 3.05Å; I717-Q720 CarbonylContact O-C 3.56Å; I717-Q720 PolarHBondContact O-N 3Å; I717-S721 PolarHBondContact O-N 2.89Å; I717-L724 HydrophobicContact CG2-CD1 3.67Å; I717-L760 HydrophobicContact CG2-CD1 4.01Å
718S69.8Low67.6Low28 Ų2854.8 Ų54.820%0.19628%0.276CS..Hα-helixtrans-63.4-36.3176.487.90000112.2R714 S715 E716 S721R714-S718 PolarHBondContact O-N 3.08Å; S715-S718 WeakPolarHBondContact O-CB 3.2Å; S715-S718 PolarHBondContact O-N 3.26Å; S715-S718 VanDerWaalsContact O-N 3.14Å; S715-S718 PolarHBondContact O-OG 2.95Å; E716-S718 VanDerWaalsContact C-N 3.29Å; E716-S718 PolarHBondContact O-N 3.38Å; S718-S721 WeakPolarHBondContact O-CB 3.14Å; S718-S721 PolarHBondContact O-OG 2.72Å; S718-S721 VanDerWaalsContact O-OG 3.08Å
719K70.8Confident67.1Low138 Ų13847.6 Ų47.660%0.626%0.26SS*.Hα-helixtrans-70.8-37.6174.2-68.2179.1-169.41570112.7S715 E716 I717 S721S715-K719 PolarHBondContact O-N 3.15Å; S715-K719 VanDerWaalsContact O-N 3.08Å; E716-K719 PolarHBondContact O-N 3.4Å; E716-K719 IonicContact OE1-NZ 3.82Å; E716-K719 PolarHBondContact OE1-NZ 3.32Å; E716-K719 WeakPolarHBondContact OE2-CE 3.26Å; E716-K719 IonicContact OE2-NZ 3.32Å; E716-K719 PolarHBondContact OE2-NZ 3.32Å; I717-K719 VanDerWaalsContact C-N 3.3Å; I717-K719 PolarHBondContact O-N 3.05Å; K719-S721 VanDerWaalsContact C-N 3.26Å; K719-S721 PolarHBondContact O-N 3.49Å
720Q68.8Low66.4Low48 Ų4844.7 Ų44.722%0.22425%0.248CC..THydrogen-bonded Turntrans-87.524.1178.2-68.7-167.8-11.700114.1V683 E716 I717 N722 V723 L724V683-Q720 VanDerWaalsContact CG1-OE1 3.25Å; E716-Q720 PolarHBondContact O-N 3.18Å; I717-Q720 CarbonylContact O-C 3.56Å; I717-Q720 PolarHBondContact O-N 3Å; Q720-N722 PolarHBondContact O-N 3.2Å; Q720-N722 VanDerWaalsContact O-N 3.08Å; Q720-V723 HydrophobicContact CB-CG2 4.48Å; Q720-V723 PolarHBondContact O-N 3.06Å; Q720-L724 PolarHBondContact O-N 3.43Å
721S65.3Low65.4Low11 Ų1145.5 Ų45.58%0.07726%0.255CS..Hα-helixtrans-55.4-28.3179.146.30000113.9I717 S718 K719 L724 L725I717-S721 PolarHBondContact O-N 2.89Å; S718-S721 WeakPolarHBondContact O-CB 3.14Å; S718-S721 PolarHBondContact O-OG 2.72Å; S718-S721 VanDerWaalsContact O-OG 3.08Å; K719-S721 VanDerWaalsContact C-N 3.26Å; K719-S721 PolarHBondContact O-N 3.49Å; S721-L724 PolarHBondContact O-N 3.44Å; S721-L725 WeakPolarHBondContact O-CG 3.37Å; S721-L725 PolarHBondContact O-N 3.34Å
722N67.3Low64.3Low106 Ų10649.3 Ų49.357%0.56727%0.27SS*.Hα-helixtrans-66.8-32.8173.3-72.9-20.7000113.9Q720 L725 Q726Q720-N722 PolarHBondContact O-N 3.2Å; Q720-N722 VanDerWaalsContact O-N 3.08Å; N722-L725 WeakPolarHBondContact O-CB 3.43Å; N722-L725 PolarHBondContact O-N 3.24Å; N722-Q726 WeakPolarHBondContact O-CG 3.44Å; N722-Q726 PolarHBondContact O-N 3.16Å
723V66Low62.9Low36 Ų3653.2 Ų53.222%0.21829%0.286CS..Hα-helixtrans-74.4-35.7177.6-178.70000110.5L687 Q720 L725 Q726 L727L687-V723 HydrophobicContact CB-CG1 4.46Å; Q720-V723 HydrophobicContact CB-CG2 4.48Å; Q720-V723 PolarHBondContact O-N 3.06Å; V723-L725 VanDerWaalsContact C-N 3.33Å; V723-Q726 CarbonylContact O-C 3.57Å; V723-Q726 PolarHBondContact O-N 2.98Å; V723-L727 HydrophobicContact CG1-CD1 4.38Å; V723-L727 PolarHBondContact O-N 3.49Å
724L65.1Low61.5Low1 Ų156.7 Ų56.71%0.00531%0.305CS..Hα-helixtrans-63.3-38.3170.3-77.4167000112L687 I717 Q720 S721 M728 V753 F757L687-L724 HydrophobicContact CD2-CD2 3.8Å; L687-L724 HydrophobicContact CD2-CG 4.49Å; I717-L724 HydrophobicContact CG2-CD1 3.67Å; Q720-L724 PolarHBondContact O-N 3.43Å; S721-L724 PolarHBondContact O-N 3.44Å; L724-M728 PolarHBondContact O-N 3.23Å; L724-M728 VanDerWaalsContact O-N 3.14Å; L724-V753 HydrophobicContact CB-CG1 4.37Å; L724-V753 HydrophobicContact CD2-CG1 4.24Å; L724-V753 HydrophobicContact CD2-CG2 4.01Å; L724-F757 HydrophobicContact CB-CZ 4.31Å
725L64Low60Low28 Ų2864 Ų6415%0.14734%0.337CS..Hα-helixtrans-66.2-39.6171-77.7162.5000111.7S721 N722 V723 M728 S729 I774 E777S721-L725 WeakPolarHBondContact O-CG 3.37Å; S721-L725 PolarHBondContact O-N 3.34Å; N722-L725 WeakPolarHBondContact O-CB 3.43Å; N722-L725 PolarHBondContact O-N 3.24Å; V723-L725 VanDerWaalsContact C-N 3.33Å; L725-M728 WeakPolarHBondContact O-CB 3.18Å; L725-M728 PolarHBondContact O-N 3.13Å; L725-S729 PolarHBondContact O-N 3.42Å; L725-S729 VanDerWaalsContact O-N 3.09Å; L725-I774 HydrophobicContact CD1-CG1 4.35Å; L725-E777 HydrophobicContact CD2-CB 3.84Å; L725-E777 HydrophobicContact CD2-CG 4.15Å
726Q66.1Low58.5Low122 Ų12266.9 Ų66.957%0.5736%0.358SS*.Hα-helixtrans-65.2-40.5174.6-78.7179.9-11.500112.4N722 V723 M728 S729 S730N722-Q726 WeakPolarHBondContact O-CG 3.44Å; N722-Q726 PolarHBondContact O-N 3.16Å; V723-Q726 CarbonylContact O-C 3.57Å; V723-Q726 PolarHBondContact O-N 2.98Å; Q726-M728 VanDerWaalsContact C-N 3.3Å; Q726-M728 PolarHBondContact O-N 3.22Å; Q726-S729 WeakPolarHBondContact CA-OG 3.49Å; Q726-S729 CarbonylContact O-C 3.35Å; Q726-S729 PolarHBondContact O-N 3.11Å; Q726-S729 PolarHBondContact O-OG 3.03Å; Q726-S730 VanDerWaalsContact O-CB 3.24Å; Q726-S730 WeakPolarHBondContact O-CB 3.27Å; Q726-S730 PolarHBondContact O-N 3.22Å; Q726-S730 PolarHBondContact O-OG 3.07Å; Q726-S730 VanDerWaalsContact O-OG 3.07Å
727L61.8Low57Low22 Ų2271.2 Ų71.212%0.11538%0.378CS..Hα-helixtrans-62.1-34.8173.7-83.3157.5000112.8L687 V723 S730L687-L727 HydrophobicContact CB-CD1 4.16Å; L687-L727 HydrophobicContact CD2-CD1 3.73Å; V723-L727 HydrophobicContact CG1-CD1 4.38Å; V723-L727 PolarHBondContact O-N 3.49Å; L727-S730 WeakPolarHBondContact CA-OG 3.34Å
728M54.8Low55.8Low29 Ų2977.4 Ų77.414%0.14341%0.41CS..Hα-helixtrans-66.4-34.9170.6-81.4-97.8-69.800112.5L724 L725 Q726 E750 V753 M781L724-M728 PolarHBondContact O-N 3.23Å; L724-M728 VanDerWaalsContact O-N 3.14Å; L725-M728 WeakPolarHBondContact O-CB 3.18Å; L725-M728 PolarHBondContact O-N 3.13Å; Q726-M728 VanDerWaalsContact C-N 3.3Å; Q726-M728 PolarHBondContact O-N 3.22Å; M728-E750 HydrophobicContact SD-CG 4.44Å; M728-V753 HydrophobicContact CG-CB 4.22Å; M728-V753 HydrophobicContact CG-CG1 3.62Å; M728-V753 HydrophobicContact SD-CG1 4.22Å; M728-M781 HydrophobicContact CE-CE 3.81Å; M728-M781 HydrophobicContact CE-CG 3.76Å; M728-M781 HydrophobicContact CE-SD 4.44Å; M728-M781 HydrophobicContact SD-CE 4.03Å
729S57.3Low54.9Low75 Ų7580.7 Ų80.752%0.52443%0.431SS..Hα-helixtrans-85.2-27.517972.20000114.3L725 Q726L725-S729 PolarHBondContact O-N 3.42Å; L725-S729 VanDerWaalsContact O-N 3.09Å; Q726-S729 WeakPolarHBondContact CA-OG 3.49Å; Q726-S729 CarbonylContact O-C 3.35Å; Q726-S729 PolarHBondContact O-N 3.11Å; Q726-S729 PolarHBondContact O-OG 3.03Å
730S48.2Very low53.8Low44 Ų4482.4 Ų82.431%0.30844%0.438SS..Hα-helixtrans-87.2-5.6-17569.60000113.9Q726 L727 N732 L733Q726-S730 VanDerWaalsContact O-CB 3.24Å; Q726-S730 WeakPolarHBondContact O-CB 3.27Å; Q726-S730 PolarHBondContact O-N 3.22Å; Q726-S730 PolarHBondContact O-OG 3.07Å; Q726-S730 VanDerWaalsContact O-OG 3.07Å; L727-S730 WeakPolarHBondContact CA-OG 3.34Å; S730-N732 PolarHBondContact O-N 3.27Å; S730-L733 WeakPolarHBondContact O-CB 3.22Å; S730-L733 PolarHBondContact O-N 2.85Å
731A48.6Very low52.8Low17 Ų1784.9 Ų84.914%0.1445%0.454CS..THydrogen-bonded Turntrans-52.6-20.7165.600000112.9I746A731-I746 HydrophobicContact CB-CG1 4.36Å; A731-I746 HydrophobicContact CB-CG2 4.44Å
732N45.8Very low52Low147 Ų14788.4 Ų88.479%0.78647%0.465SS*.THydrogen-bonded Turntrans-79.1-8.2173.8-68.4-30.7000115S730S730-N732 PolarHBondContact O-N 3.27Å
733L42Very low51.5Low135 Ų13589.2 Ų89.271%0.70747%0.466SS*.  trans-100.6-6.6-173.8-85.6147.1000115.4S730 K735S730-L733 WeakPolarHBondContact O-CB 3.22Å; S730-L733 PolarHBondContact O-N 2.85Å; L733-K735 VanDerWaalsContact C-N 3.32Å; L733-K735 PolarHBondContact O-N 2.98Å
734L44.7Very low51.2Low75 Ų7590.4 Ų90.439%0.39347%0.469SS..  trans-74.172.5179.9-81.3154.4000112.3S736 R742L734-S736 PolarHBondContact O-N 2.9Å; L734-R742 PolarHBondContact O-NE 3.39Å; L734-R742 PolarHBondContact O-NH2 3.49Å
735K42.8Very low50.9Low189 Ų18991.8 Ų91.882%0.82248%0.481SS*.THydrogen-bonded Turntrans-75.34.6-173.2-82.2-174.7-179.9178.40117.7L733 R742L733-K735 VanDerWaalsContact C-N 3.32Å; L733-K735 PolarHBondContact O-N 2.98Å; K735-R742 PolarHBondContact O-NH2 3.04Å
736S41.3Very low51Low110 Ų11091.9 Ų91.977%0.76948%0.481SS*.THydrogen-bonded Turntrans-125.221.7-170.976.50000121.2L734 R742L734-S736 PolarHBondContact O-N 2.9Å; S736-R742 VanDerWaalsContact N-NH2 3.17Å
737Q38.4Very low51.1Low135 Ų13586.7 Ų86.763%0.63146%0.457SS*.SBendtrans-135.8158.3176.8-71.3-173.2-17.700114.3R742Q737-R742 PolarHBondContact O-NE 3.16Å
738L43Very low51.4Low129 Ų12987.5 Ų87.568%0.67546%0.46SS*.  trans-53.8148.2-175.5-81.5120000113.1K740 D741 R742L738-K740 PolarHBondContact O-N 3.38Å; L738-D741 PolarHBondContact O-N 2.79Å; L738-R742 PolarHBondContact O-N 3.48Å
739P50.6Low52Low97 Ų9786.8 Ų86.863%0.6346%0.457SS*.Hα-helixtrans-63.4-28.9-166.620.6-31.1000115.8
740K48.3Very low52.7Low174 Ų17483.7 Ų83.776%0.75744%0.435SS*.Hα-helixtrans-78.2-38.5179.8-74-174.2174.4-177.70113.8L738 R742 M744L738-K740 PolarHBondContact O-N 3.38Å; K740-R742 VanDerWaalsContact C-N 3.32Å; K740-M744 PolarHBondContact O-N 3.11Å
741D47.5Very low53.8Low101 Ų10181.6 Ų81.654%0.5442%0.42SS..Hα-helixtrans-73.6-28.5178.2-63.2-33.1000111.6L738 A745L738-D741 PolarHBondContact O-N 2.79Å; D741-A745 WeakPolarHBondContact O-CB 3.48Å; D741-A745 PolarHBondContact O-N 3.34Å
742R49.3Very low54.9Low85 Ų8580.8 Ų80.832%0.32141%0.413SS..Hα-helixtrans-60.8-49.8170.7-94.4-173.6177145.68.9112.9L734 K735 S736 Q737 L738 K740 M744 A745 I746L734-R742 PolarHBondContact O-NE 3.39Å; L734-R742 PolarHBondContact O-NH2 3.49Å; K735-R742 PolarHBondContact O-NH2 3.04Å; S736-R742 VanDerWaalsContact N-NH2 3.17Å; Q737-R742 PolarHBondContact O-NE 3.16Å; L738-R742 PolarHBondContact O-N 3.48Å; K740-R742 VanDerWaalsContact C-N 3.32Å; R742-M744 VanDerWaalsContact C-N 3.35Å; R742-M744 PolarHBondContact O-N 3.05Å; R742-A745 PolarHBondContact O-N 2.93Å; R742-I746 WeakPolarHBondContact O-CB 3.36Å; R742-I746 VanDerWaalsContact O-CD1 3.29Å; R742-I746 WeakPolarHBondContact O-CD1 3.41Å; R742-I746 WeakPolarHBondContact O-CG1 3.32Å; R742-I746 PolarHBondContact O-N 2.87Å
743E56.4Low56.2Low123 Ų12373.8 Ų73.858%0.57538%0.376SS*.Hα-helixtrans-63.8-40.9-179.4-80.1-176.2155.400111.6I746 L747E743-I746 PolarHBondContact O-N 3.16Å; E743-L747 WeakPolarHBondContact O-CB 3.45Å; E743-L747 WeakPolarHBondContact O-CD1 3.41Å; E743-L747 WeakPolarHBondContact O-CG 3.14Å; E743-L747 PolarHBondContact O-N 3.07Å
744M60.5Low57.8Low60 Ų6067.5 Ų67.530%0.29634%0.343SS..Hα-helixtrans-63-47.4175.4-86.3-72.9-67.200112.5K740 R742 I746 L747 E748 Y797 F800K740-M744 PolarHBondContact O-N 3.11Å; R742-M744 VanDerWaalsContact C-N 3.35Å; R742-M744 PolarHBondContact O-N 3.05Å; M744-I746 VanDerWaalsContact C-N 3.33Å; M744-I746 PolarHBondContact O-N 3.16Å; M744-L747 PolarHBondContact O-N 3.05Å; M744-E748 WeakPolarHBondContact O-CB 3.45Å; M744-E748 WeakPolarHBondContact O-CG 3.28Å; M744-E748 PolarHBondContact O-N 3.12Å; M744-Y797 HydrophobicContact CE-CD2 4.04Å; M744-Y797 HydrophobicContact CE-CE2 4.1Å; M744-Y797 HydrophobicContact SD-CD2 4.06Å; M744-Y797 HydrophobicContact SD-CE2 4.39Å; M744-F800 HydrophobicContact CE-CE2 4.13Å; M744-F800 HydrophobicContact CE-CZ 4.44Å; M744-F800 HydrophobicContact SD-CE2 4.06Å
745A58.3Low59.4Low30 Ų3064.5 Ų64.525%0.24833%0.326CS..Hα-helixtrans-63.8-39177.500000111.9D741 R742 E748 I749D741-A745 WeakPolarHBondContact O-CB 3.48Å; D741-A745 PolarHBondContact O-N 3.34Å; R742-A745 PolarHBondContact O-N 2.93Å; A745-E748 PolarHBondContact O-N 3.07Å; A745-I749 WeakPolarHBondContact O-CB 3.04Å; A745-I749 WeakPolarHBondContact O-CD1 3.33Å; A745-I749 WeakPolarHBondContact O-CG1 3.3Å; A745-I749 PolarHBondContact O-N 3.23Å
746I65.4Low61Low31 Ų3155.5 Ų55.516%0.15929%0.287CS..Hα-helixtrans-63.9-45.2174.9-67.7163.8000110.6A731 R742 E743 M744 E748 I749 E750A731-I746 HydrophobicContact CB-CG1 4.36Å; A731-I746 HydrophobicContact CB-CG2 4.44Å; R742-I746 WeakPolarHBondContact O-CB 3.36Å; R742-I746 VanDerWaalsContact O-CD1 3.29Å; R742-I746 WeakPolarHBondContact O-CD1 3.41Å; R742-I746 WeakPolarHBondContact O-CG1 3.32Å; R742-I746 PolarHBondContact O-N 2.87Å; E743-I746 PolarHBondContact O-N 3.16Å; M744-I746 VanDerWaalsContact C-N 3.33Å; M744-I746 PolarHBondContact O-N 3.16Å; I746-E748 VanDerWaalsContact C-N 3.33Å; I746-E748 PolarHBondContact O-N 2.99Å; I746-I749 PolarHBondContact O-N 3.13Å; I746-E750 HydrophobicContact CG2-CG 4.35Å; I746-E750 WeakPolarHBondContact O-CB 3.35Å; I746-E750 WeakPolarHBondContact O-CG 3.24Å; I746-E750 PolarHBondContact O-N 3.41Å
747L68.1Low62.7Low13 Ų1350.4 Ų50.47%0.06825%0.251CS..Hα-helixtrans-63.2-37.6176.8-74.5166.4000112.2E743 M744 A751 Y791 L795 F800E743-L747 WeakPolarHBondContact O-CB 3.45Å; E743-L747 WeakPolarHBondContact O-CD1 3.41Å; E743-L747 WeakPolarHBondContact O-CG 3.14Å; E743-L747 PolarHBondContact O-N 3.07Å; M744-L747 PolarHBondContact O-N 3.05Å; L747-A751 WeakPolarHBondContact O-CB 3.16Å; L747-A751 PolarHBondContact O-N 3.33Å; L747-Y791 HydrophobicContact CD2-CD1 4.14Å; L747-Y791 HydrophobicContact CD2-CE1 3.44Å; L747-Y791 VanDerWaalsContact CD2-CE1 3.44Å; L747-Y791 HydrophobicContact CD2-CE2 3.93Å; L747-Y791 WeakPolarHBondContact CD2-OH 3.48Å; L747-L795 HydrophobicContact CD1-CD2 3.95Å; L747-F800 HydrophobicContact CB-CD1 4.37Å
748E67.7Low64.6Low38 Ų3845.7 Ų45.718%0.17823%0.228CC..Hα-helixtrans-67.3-44.9176.5-82.6-171.817500112.8I698 M744 A745 I746 A751 A752 F800I698-E748 HydrophobicContact CD1-CB 3.78Å; I698-E748 HydrophobicContact CD1-CG 4.3Å; I698-E748 WeakPolarHBondContact CD1-OE2 3.48Å; M744-E748 WeakPolarHBondContact O-CB 3.45Å; M744-E748 WeakPolarHBondContact O-CG 3.28Å; M744-E748 PolarHBondContact O-N 3.12Å; A745-E748 PolarHBondContact O-N 3.07Å; I746-E748 VanDerWaalsContact C-N 3.33Å; I746-E748 PolarHBondContact O-N 2.99Å; E748-A751 PolarHBondContact O-N 3.08Å; E748-A752 WeakPolarHBondContact O-CB 3.41Å; E748-A752 PolarHBondContact O-N 3.48Å; E748-F800 HydrophobicContact CB-CE1 4.31Å; E748-F800 HydrophobicContact CG-CE1 3.51Å; E748-F800 HydrophobicContact CG-CZ 3.31Å
749I68.8Low66Low15 Ų1541.7 Ų41.78%0.07721%0.205CC..Hα-helixtrans-66.4-49.5176.4-65.4164.8000110.1L692 A745 I746 A751 A752 V753L692-I749 HydrophobicContact CB-CG1 4.34Å; A745-I749 WeakPolarHBondContact O-CB 3.04Å; A745-I749 WeakPolarHBondContact O-CD1 3.33Å; A745-I749 WeakPolarHBondContact O-CG1 3.3Å; A745-I749 PolarHBondContact O-N 3.23Å; I746-I749 PolarHBondContact O-N 3.13Å; I749-A751 VanDerWaalsContact C-N 3.26Å; I749-A751 PolarHBondContact O-N 3.44Å; I749-A752 PolarHBondContact O-N 2.95Å; I749-A752 VanDerWaalsContact O-N 3.14Å; I749-V753 HydrophobicContact CG2-CG2 4.32Å; I749-V753 VanDerWaalsContact O-CG2 3.31Å; I749-V753 WeakPolarHBondContact O-CG2 3.41Å; I749-V753 PolarHBondContact O-N 3.35Å
750E71Confident67.1Low10 Ų1037.5 Ų37.55%0.04718%0.177CC..Hα-helixtrans-56.3-42.2175.3-76.7-176.317900110.6M728 I746 A752 I754 M781 R790 Y791M728-E750 HydrophobicContact SD-CG 4.44Å; I746-E750 HydrophobicContact CG2-CG 4.35Å; I746-E750 WeakPolarHBondContact O-CB 3.35Å; I746-E750 WeakPolarHBondContact O-CG 3.24Å; I746-E750 PolarHBondContact O-N 3.41Å; E750-A752 PolarHBondContact O-N 2.89Å; E750-I754 WeakPolarHBondContact O-CB 3.4Å; E750-I754 WeakPolarHBondContact O-CD1 3.42Å; E750-I754 VanDerWaalsContact O-CG1 3.24Å; E750-I754 WeakPolarHBondContact O-CG1 3.38Å; E750-I754 PolarHBondContact O-N 2.76Å; E750-M781 HydrophobicContact CG-CE 4.19Å; E750-R790 IonicContact OE1-CZ 2.81Å; E750-R790 IonicContact OE1-NH1 3.18Å; E750-R790 PolarHBondContact OE1-NH1 3.49Å; E750-R790 IonicContact OE1-NH2 3.46Å; E750-R790 PolarHBondContact OE1-NH2 3.14Å; E750-R790 IonicContact OE2-CZ 3.69Å; E750-R790 IonicContact OE2-NH1 3.13Å; E750-R790 IonicContact OE2-NH2 3.08Å; E750-R790 PolarHBondContact OE2-NH2 3.43Å; E750-Y791 PolarHBondContact OE2-OH 3.21Å
751A71Confident68.2Low0 Ų029.3 Ų29.30%014%0.141CC..Hα-helixtrans-70.4-28.9178.600000114.6R702 L747 E748 I749 Y755 F800 V803R702-A751 PolarHBondContact NH2-O 3.43Å; R702-A751 VanDerWaalsContact NH2-O 3.15Å; L747-A751 WeakPolarHBondContact O-CB 3.16Å; L747-A751 PolarHBondContact O-N 3.33Å; E748-A751 PolarHBondContact O-N 3.08Å; I749-A751 VanDerWaalsContact C-N 3.26Å; I749-A751 PolarHBondContact O-N 3.44Å; A751-Y755 WeakPolarHBondContact O-CB 3.47Å; A751-Y755 PolarHBondContact O-N 3.17Å; A751-F800 HydrophobicContact CB-CD1 3.83Å; A751-F800 HydrophobicContact CB-CE1 4.15Å; A751-V803 HydrophobicContact CB-CG2 3.39Å
752A71.7Confident69.3Low0 Ų031 Ų310%014%0.144CC..Hα-helixtrans-77.3-40.6174.700000111.6L692 I698 E748 I749 E750 Y755 S756L692-A752 HydrophobicContact CD1-CB 4.31Å; I698-A752 HydrophobicContact CG2-CB 4.43Å; E748-A752 WeakPolarHBondContact O-CB 3.41Å; E748-A752 PolarHBondContact O-N 3.48Å; I749-A752 PolarHBondContact O-N 2.95Å; I749-A752 VanDerWaalsContact O-N 3.14Å; E750-A752 PolarHBondContact O-N 2.89Å; A752-Y755 PolarHBondContact O-N 3.36Å; A752-S756 PolarHBondContact O-N 3.32Å; A752-S756 PolarHBondContact O-OG 3.32Å
753V74.2Confident70Confident0 Ų030.8 Ų30.80%015%0.152CC..Hα-helixtrans-68.7-46.1179177.90000111.3L724 M728 I749 Y755 S756 F757L724-V753 HydrophobicContact CB-CG1 4.37Å; L724-V753 HydrophobicContact CD2-CG1 4.24Å; L724-V753 HydrophobicContact CD2-CG2 4.01Å; M728-V753 HydrophobicContact CG-CB 4.22Å; M728-V753 HydrophobicContact CG-CG1 3.62Å; M728-V753 HydrophobicContact SD-CG1 4.22Å; I749-V753 HydrophobicContact CG2-CG2 4.32Å; I749-V753 VanDerWaalsContact O-CG2 3.31Å; I749-V753 WeakPolarHBondContact O-CG2 3.41Å; I749-V753 PolarHBondContact O-N 3.35Å; V753-Y755 VanDerWaalsContact C-N 3.29Å; V753-Y755 PolarHBondContact O-N 3.08Å; V753-S756 VanDerWaalsContact CA-OG 3.28Å; V753-S756 WeakPolarHBondContact CA-OG 3.37Å; V753-S756 PolarHBondContact O-N 3.29Å; V753-S756 VanDerWaalsContact O-N 3.15Å; V753-S756 PolarHBondContact O-OG 2.79Å; V753-F757 HydrophobicContact CG1-CD2 4.09Å; V753-F757 HydrophobicContact CG1-CE2 3.56Å; V753-F757 HydrophobicContact CG1-CZ 4.09Å; V753-F757 WeakPolarHBondContact O-CD2 3.26Å; V753-F757 PolarHBondContact O-N 3.33Å; V753-F757 VanDerWaalsContact O-N 3.07Å
754I75.8Confident70.4Confident2 Ų229.4 Ų29.41%0.0115%0.149CC..Hα-helixtrans-65.4-35.3177.8-66.6165.9000111.3E750 F757 W758 V803 W806 M807E750-I754 WeakPolarHBondContact O-CB 3.4Å; E750-I754 WeakPolarHBondContact O-CD1 3.42Å; E750-I754 VanDerWaalsContact O-CG1 3.24Å; E750-I754 WeakPolarHBondContact O-CG1 3.38Å; E750-I754 PolarHBondContact O-N 2.76Å; I754-F757 PolarHBondContact O-N 2.91Å; I754-W758 PolarHBondContact O-N 2.95Å; I754-V803 HydrophobicContact CB-CG1 4.24Å; I754-V803 HydrophobicContact CD1-CG1 3.35Å; I754-V803 HydrophobicContact CG1-CG1 4.37Å; I754-V803 HydrophobicContact CG2-CG1 4.19Å; I754-W806 HydrophobicContact CG2-CB 3.87Å; I754-M807 HydrophobicContact CB-SD 4.39Å; I754-M807 HydrophobicContact CD1-CE 4Å; I754-M807 HydrophobicContact CD1-SD 3.46Å; I754-M807 WeakPolarHBondContact CD1-SD 3.47Å; I754-M807 HydrophobicContact CG1-CE 4.5Å; I754-M807 HydrophobicContact CG1-SD 3.65Å; I754-M807 HydrophobicContact CG2-CB 4.48Å; I754-M807 HydrophobicContact CG2-SD 3.79Å
755Y78.7Confident70.5Confident12 Ų1230.5 Ų30.55%0.04716%0.158CC..Hα-helixtrans-64.7-39.5174.3-179.6-99.8000112.5R702 L705 K706 A751 A752 V753 W758 K759 W806R702-Y755 HydrophobicContact CB-CE1 4.46Å; R702-Y755 HydrophobicContact CG-CD1 3.9Å; R702-Y755 HydrophobicContact CG-CE1 4.04Å; L705-Y755 HydrophobicContact CB-CE1 4.34Å; L705-Y755 HydrophobicContact CD1-CD1 4.49Å; K706-Y755 VanDerWaalsContact CG-OH 3.29Å; K706-Y755 WeakPolarHBondContact CG-OH 3.33Å; A751-Y755 WeakPolarHBondContact O-CB 3.47Å; A751-Y755 PolarHBondContact O-N 3.17Å; A752-Y755 PolarHBondContact O-N 3.36Å; V753-Y755 VanDerWaalsContact C-N 3.29Å; V753-Y755 PolarHBondContact O-N 3.08Å; Y755-W758 HydrophobicContact CD2-CE3 4.07Å; Y755-W758 HydrophobicContact CD2-CZ3 4.44Å; Y755-W758 AromaticContact CE2-CE3 3.91Å; Y755-W758 HydrophobicContact CE2-CE3 3.91Å; Y755-W758 AromaticContact CE2-CZ3 3.85Å; Y755-W758 HydrophobicContact CE2-CZ3 3.85Å; Y755-W758 PolarHBondContact O-N 3.15Å; Y755-K759 WeakPolarHBondContact O-CB 3.46Å; Y755-K759 PolarHBondContact O-N 3.16Å; Y755-W806 HydrophobicContact CD2-CD2 4.04Å; Y755-W806 AromaticContact CD2-CE2 3.75Å; Y755-W806 HydrophobicContact CD2-CE3 4.1Å; Y755-W806 AromaticContact CD2-CH2 3.67Å; Y755-W806 HydrophobicContact CD2-CH2 3.67Å; Y755-W806 AromaticContact CD2-CZ2 3.57Å; Y755-W806 HydrophobicContact CD2-CZ2 3.57Å; Y755-W806 AromaticContact CD2-CZ3 3.93Å; Y755-W806 HydrophobicContact CD2-CZ3 3.93Å; Y755-W806 HydrophobicContact CE2-CH2 4.45Å; Y755-W806 HydrophobicContact CE2-CZ2 4.06Å; Y755-W806 HydrophobicContact CG-CH2 4.33Å; Y755-W806 HydrophobicContact CG-CZ3 4.28Å
756S74.5Confident70.7Confident0 Ų031.2 Ų31.20%016%0.164CC..Hα-helixtrans-66.3-43.2177.727.40000111.3A752 V753 W758 K759 L760A752-S756 PolarHBondContact O-N 3.32Å; A752-S756 PolarHBondContact O-OG 3.32Å; V753-S756 VanDerWaalsContact CA-OG 3.28Å; V753-S756 WeakPolarHBondContact CA-OG 3.37Å; V753-S756 PolarHBondContact O-N 3.29Å; V753-S756 VanDerWaalsContact O-N 3.15Å; V753-S756 PolarHBondContact O-OG 2.79Å; S756-W758 PolarHBondContact O-N 3.3Å; S756-K759 PolarHBondContact O-N 2.87Å; S756-L760 WeakPolarHBondContact O-CB 3.39Å; S756-L760 WeakPolarHBondContact O-CG 3.41Å; S756-L760 PolarHBondContact O-N 3.45Å
757F77.2Confident71Confident3 Ų330.4 Ų30.41%0.01316%0.159CC..Hα-helixtrans-58.8-43.9172-69-42.2000113L724 V753 I754 K759 S761 W767 I774 V810L724-F757 HydrophobicContact CB-CZ 4.31Å; V753-F757 HydrophobicContact CG1-CD2 4.09Å; V753-F757 HydrophobicContact CG1-CE2 3.56Å; V753-F757 HydrophobicContact CG1-CZ 4.09Å; V753-F757 WeakPolarHBondContact O-CD2 3.26Å; V753-F757 PolarHBondContact O-N 3.33Å; V753-F757 VanDerWaalsContact O-N 3.07Å; I754-F757 PolarHBondContact O-N 2.91Å; F757-K759 PolarHBondContact O-N 3.47Å; F757-S761 WeakPolarHBondContact O-CB 3.36Å; F757-S761 PolarHBondContact O-N 3.41Å; F757-S761 VanDerWaalsContact O-N 3.08Å; F757-S761 PolarHBondContact O-OG 3.19Å; F757-W767 HydrophobicContact CD1-CH2 4.07Å; F757-I774 HydrophobicContact CD1-CG2 3.96Å; F757-I774 HydrophobicContact CD2-CG2 4.49Å; F757-I774 HydrophobicContact CE1-CD1 4.27Å; F757-I774 HydrophobicContact CE1-CG2 3.87Å; F757-I774 HydrophobicContact CE2-CG2 4.39Å; F757-I774 HydrophobicContact CG-CG2 4.29Å; F757-I774 HydrophobicContact CZ-CG2 4.1Å; F757-V810 HydrophobicContact CB-CG2 4.47Å
758W77.9Confident70.8Confident37 Ų3730 Ų3014%0.1416%0.157CC..Hα-helixtrans-64.3-39.6177.5176.763.5000113.3I754 Y755 S756 S761 K762 W806 K809 V810I754-W758 PolarHBondContact O-N 2.95Å; Y755-W758 HydrophobicContact CD2-CE3 4.07Å; Y755-W758 HydrophobicContact CD2-CZ3 4.44Å; Y755-W758 AromaticContact CE2-CE3 3.91Å; Y755-W758 HydrophobicContact CE2-CE3 3.91Å; Y755-W758 AromaticContact CE2-CZ3 3.85Å; Y755-W758 HydrophobicContact CE2-CZ3 3.85Å; Y755-W758 PolarHBondContact O-N 3.15Å; S756-W758 PolarHBondContact O-N 3.3Å; W758-S761 WeakPolarHBondContact CA-OG 3.42Å; W758-S761 PolarHBondContact O-OG 3.48Å; W758-K762 HydrophobicContact CZ2-CD 4.37Å; W758-K762 PolarHBondContact O-N 3.16Å; W758-W806 HydrophobicContact CB-CB 4.07Å; W758-W806 HydrophobicContact CB-CG 4.47Å; W758-W806 AromaticContact CD2-CD1 3.85Å; W758-W806 HydrophobicContact CD2-CG 4.42Å; W758-W806 AromaticContact CE3-CD1 3.88Å; W758-W806 HydrophobicContact CE3-CG 4.48Å; W758-W806 HydrophobicContact CG-CB 4.24Å; W758-W806 HydrophobicContact CG-CG 4.4Å; W758-K809 HydrophobicContact CZ2-CD 4.13Å; W758-V810 VanDerWaalsContact CA-CG2 3.46Å; W758-V810 HydrophobicContact CB-CG2 3.79Å; W758-V810 HydrophobicContact CG-CG2 4.45Å
759K74Confident70.6Confident44 Ų4432.5 Ų32.519%0.19117%0.172CC..Hα-helixtrans-75-38.9-177-160.465.3177.8178.30112.3Y755 S756 F757 K762 T763Y755-K759 WeakPolarHBondContact O-CB 3.46Å; Y755-K759 PolarHBondContact O-N 3.16Å; S756-K759 PolarHBondContact O-N 2.87Å; F757-K759 PolarHBondContact O-N 3.47Å; K759-K762 PolarHBondContact O-N 3.13Å; K759-T763 PolarHBondContact O-N 2.92Å; K759-T763 PolarHBondContact O-OG1 3.23Å
760L73.1Confident70.4Confident10 Ų1038.3 Ų38.35%0.05220%0.198CC..Hα-helixtrans-61.1-48.7173.7-74.2164.1000111R714 I717 S756 K762 T763 N764 W767R714-L760 HydrophobicContact CB-CD2 4.09Å; R714-L760 HydrophobicContact CG-CD2 4.32Å; I717-L760 HydrophobicContact CG2-CD1 4.01Å; S756-L760 WeakPolarHBondContact O-CB 3.39Å; S756-L760 WeakPolarHBondContact O-CG 3.41Å; S756-L760 PolarHBondContact O-N 3.45Å; L760-K762 VanDerWaalsContact C-N 3.28Å; L760-K762 PolarHBondContact O-N 3.06Å; L760-T763 PolarHBondContact O-N 3.21Å; L760-T763 PolarHBondContact O-OG1 3.44Å; L760-N764 PolarHBondContact O-N 2.62Å; L760-N764 VanDerWaalsContact O-N 3.08Å; L760-W767 HydrophobicContact CB-CE3 3.91Å; L760-W767 HydrophobicContact CB-CH2 4.08Å; L760-W767 HydrophobicContact CB-CZ3 3.57Å; L760-W767 HydrophobicContact CD1-CH2 3.8Å; L760-W767 HydrophobicContact CD1-CZ2 4.3Å; L760-W767 HydrophobicContact CD1-CZ3 4.19Å
761S72.1Confident70.1Confident1 Ų141.2 Ų41.21%0.00721%0.212CC..Hα-helixtrans-62.4-28.1178.758.80000114.8F757 W758 L768F757-S761 WeakPolarHBondContact O-CB 3.36Å; F757-S761 PolarHBondContact O-N 3.41Å; F757-S761 VanDerWaalsContact O-N 3.08Å; F757-S761 PolarHBondContact O-OG 3.19Å; W758-S761 WeakPolarHBondContact CA-OG 3.42Å; W758-S761 PolarHBondContact O-OG 3.48Å; S761-L768 VanDerWaalsContact CB-CD1 3.45Å
762K69.9Low70Confident138 Ų13844.7 Ų44.760%0.623%0.234SC*.Hα-helixtrans-73.7-27.3174.4-163.4-177179.9-171.60113W758 K759 L760W758-K762 HydrophobicContact CZ2-CD 4.37Å; W758-K762 PolarHBondContact O-N 3.16Å; K759-K762 PolarHBondContact O-N 3.13Å; L760-K762 VanDerWaalsContact C-N 3.28Å; L760-K762 PolarHBondContact O-N 3.06Å
763T64.1Low69.9Low79 Ų7949.5 Ų49.549%0.48526%0.259SS..Hα-helixtrans-91.6-31.6-176.341.40000112.8K759 L760K759-T763 PolarHBondContact O-N 2.92Å; K759-T763 PolarHBondContact O-OG1 3.23Å; L760-T763 PolarHBondContact O-N 3.21Å; L760-T763 PolarHBondContact O-OG1 3.44Å
764N65.4Low69.6Low94 Ų9449.9 Ų49.950%0.50326%0.261SS..  trans-133.6101.4173.5-159-4.4000110.4L760 A766 W767L760-N764 PolarHBondContact O-N 2.62Å; L760-N764 VanDerWaalsContact O-N 3.08Å; N764-A766 VanDerWaalsContact C-N 3.27Å; N764-A766 PolarHBondContact O-N 3.01Å; N764-W767 HydrophobicContact CB-CB 4.18Å; N764-W767 PolarHBondContact O-N 3.46Å
765V61.6Low69.3Low83 Ų8350.2 Ų50.250%0.50326%0.263SS..SBendtrans-66.5-30.8-175.2-1770000111.4V813V765-V813 HydrophobicContact CG1-CG1 4.05Å
766A63.7Low69Low45 Ų4554.9 Ų54.937%0.37229%0.285SS..THydrogen-bonded Turntrans-72.1-27.8179.700000113.9N764 L768 L769 E770N764-A766 VanDerWaalsContact C-N 3.27Å; N764-A766 PolarHBondContact O-N 3.01Å; A766-L768 PolarHBondContact O-N 2.84Å; A766-L768 VanDerWaalsContact O-N 3.15Å; A766-L769 WeakPolarHBondContact O-CB 3.23Å; A766-L769 PolarHBondContact O-N 3.41Å; A766-E770 PolarHBondContact O-N 3.39Å
767W69.8Low68.7Low14 Ų1458.1 Ų58.15%0.05330%0.3CS..Hα-helixtrans-59.3-31-177.7179.267000113.2F757 L760 N764 H771 I774F757-W767 HydrophobicContact CD1-CH2 4.07Å; L760-W767 HydrophobicContact CB-CE3 3.91Å; L760-W767 HydrophobicContact CB-CH2 4.08Å; L760-W767 HydrophobicContact CB-CZ3 3.57Å; L760-W767 HydrophobicContact CD1-CH2 3.8Å; L760-W767 HydrophobicContact CD1-CZ2 4.3Å; L760-W767 HydrophobicContact CD1-CZ3 4.19Å; N764-W767 HydrophobicContact CB-CB 4.18Å; N764-W767 PolarHBondContact O-N 3.46Å; W767-H771 AromaticContact CD1-CD2 3.7Å; W767-H771 AromaticContact CE2-CD2 3.96Å; W767-H771 AromaticContact NE1-CD2 3.33Å; W767-H771 PolarHBondContact NE1-CD2 3.27Å; W767-H771 VanDerWaalsContact NE1-CD2 3.33Å; W767-H771 AromaticContact NE1-NE2 3.67Å; W767-H771 PolarHBondContact O-N 3.01Å; W767-I774 HydrophobicContact CH2-CD1 3.82Å; W767-I774 HydrophobicContact CZ2-CD1 3.89Å
768L64.2Low68.4Low4 Ų458.3 Ų58.32%0.02130%0.302CS..Hα-helixtrans-76.3-22.9177.8-135.2104.3000113.2S761 A766 L775 V810 Y814S761-L768 VanDerWaalsContact CB-CD1 3.45Å; A766-L768 PolarHBondContact O-N 2.84Å; A766-L768 VanDerWaalsContact O-N 3.15Å; L768-L775 HydrophobicContact CD2-CD1 3.58Å; L768-V810 HydrophobicContact CD1-CG1 3.85Å; L768-V810 HydrophobicContact CD2-CG1 4.07Å; L768-Y814 HydrophobicContact CD2-CD2 4.06Å; L768-Y814 HydrophobicContact CD2-CG 4.33Å
769L63.2Low68Low92 Ų9260 Ų6048%0.48231%0.308SS..Hα-helixtrans-77.8-32.4174.2-75.3159.1000111.3A766 Y814 A817A766-L769 WeakPolarHBondContact O-CB 3.23Å; A766-L769 PolarHBondContact O-N 3.41Å; L769-Y814 HydrophobicContact CD2-CD2 4.41Å; L769-Y814 HydrophobicContact CD2-CE2 3.89Å; L769-A817 HydrophobicContact CD1-CB 4.28Å
770E66Low67.9Low136 Ų13663.9 Ų63.964%0.63633%0.325SS*.Hα-helixtrans-75.7-20.9179.5-67.3178.7173.300113.8A766A766-E770 PolarHBondContact O-N 3.39Å
771H65.1Low67.7Low71 Ų7164.8 Ų64.833%0.32933%0.329SS..  trans-127.274.6-177.8-63.1-50.8000113.6W767 I773 I774W767-H771 AromaticContact CD1-CD2 3.7Å; W767-H771 AromaticContact CE2-CD2 3.96Å; W767-H771 AromaticContact NE1-CD2 3.33Å; W767-H771 PolarHBondContact NE1-CD2 3.27Å; W767-H771 VanDerWaalsContact NE1-CD2 3.33Å; W767-H771 AromaticContact NE1-NE2 3.67Å; W767-H771 PolarHBondContact O-N 3.01Å; H771-I773 PolarHBondContact O-N 2.88Å; H771-I774 HydrophobicContact CB-CD1 3.85Å; H771-I774 HydrophobicContact CB-CG1 4.26Å; H771-I774 PolarHBondContact O-N 3.23Å
772P68.1Low67.6Low74 Ų7465.7 Ų65.748%0.48133%0.332SS..Hα-helixtrans-64.5-21.8-178.924.7-33.3000114.1I774 L775 E776P772-I774 VanDerWaalsContact C-N 3.27Å; P772-I774 PolarHBondContact O-N 3.29Å; P772-L775 WeakPolarHBondContact O-CA 3.48Å; P772-L775 WeakPolarHBondContact O-CB 3.39Å; P772-L775 PolarHBondContact O-N 3.13Å; P772-E776 PolarHBondContact O-N 3.39Å
773I69.7Low67.5Low101 Ų10163.3 Ų63.352%0.51833%0.326SS..Hα-helixtrans-60.6-36.1179.6-53.7165.5000111.4H771 L775 E776 E777H771-I773 PolarHBondContact O-N 2.88Å; I773-L775 VanDerWaalsContact C-N 3.31Å; I773-L775 PolarHBondContact O-N 3.09Å; I773-E776 PolarHBondContact O-N 3.19Å; I773-E777 PolarHBondContact O-N 2.88Å
774I68.3Low67.7Low7 Ų761.5 Ų61.54%0.03632%0.317CS..Hα-helixtrans-64.8-40.9176.7-59.6173000109.7L725 F757 W767 H771 P772 E777 V778L725-I774 HydrophobicContact CD1-CG1 4.35Å; F757-I774 HydrophobicContact CD1-CG2 3.96Å; F757-I774 HydrophobicContact CD2-CG2 4.49Å; F757-I774 HydrophobicContact CE1-CD1 4.27Å; F757-I774 HydrophobicContact CE1-CG2 3.87Å; F757-I774 HydrophobicContact CE2-CG2 4.39Å; F757-I774 HydrophobicContact CG-CG2 4.29Å; F757-I774 HydrophobicContact CZ-CG2 4.1Å; W767-I774 HydrophobicContact CH2-CD1 3.82Å; W767-I774 HydrophobicContact CZ2-CD1 3.89Å; H771-I774 HydrophobicContact CB-CD1 3.85Å; H771-I774 HydrophobicContact CB-CG1 4.26Å; H771-I774 PolarHBondContact O-N 3.23Å; P772-I774 VanDerWaalsContact C-N 3.27Å; P772-I774 PolarHBondContact O-N 3.29Å; I774-E777 PolarHBondContact O-N 3.32Å; I774-V778 HydrophobicContact CG2-CG2 4.35Å; I774-V778 VanDerWaalsContact O-CB 3.32Å; I774-V778 WeakPolarHBondContact O-CB 3.49Å; I774-V778 WeakPolarHBondContact O-CG2 3.41Å; I774-V778 PolarHBondContact O-N 2.89Å
775L68.6Low67.5Low10 Ų1062.7 Ų62.75%0.05233%0.33CS..Hα-helixtrans-67.2-39.4177.7-153.192.5000111.2L768 P772 I773 R779 Y814 L824L768-L775 HydrophobicContact CD2-CD1 3.58Å; P772-L775 WeakPolarHBondContact O-CA 3.48Å; P772-L775 WeakPolarHBondContact O-CB 3.39Å; P772-L775 PolarHBondContact O-N 3.13Å; I773-L775 VanDerWaalsContact C-N 3.31Å; I773-L775 PolarHBondContact O-N 3.09Å; L775-R779 VanDerWaalsContact O-CB 3.26Å; L775-R779 WeakPolarHBondContact O-CB 3.21Å; L775-R779 WeakPolarHBondContact O-CG 3.29Å; L775-R779 PolarHBondContact O-N 3.47Å; L775-Y814 HydrophobicContact CD1-CD1 4.48Å; L775-Y814 HydrophobicContact CD1-CD2 4.26Å; L775-Y814 HydrophobicContact CD1-CG 4Å; L775-Y814 HydrophobicContact CD2-CD1 3.86Å; L775-Y814 HydrophobicContact CD2-CD2 4.39Å; L775-Y814 HydrophobicContact CD2-CE1 3.9Å; L775-Y814 HydrophobicContact CD2-CE2 4.41Å; L775-Y814 HydrophobicContact CD2-CG 4.12Å; L775-L824 HydrophobicContact CD2-CD1 3.78Å
776E71.9Confident67.5Low110 Ų11060.2 Ų60.251%0.51432%0.321SS..Hα-helixtrans-62.3-41.7175-82.2-171.5150.300112.6P772 I773 R779 K780P772-E776 PolarHBondContact O-N 3.39Å; I773-E776 PolarHBondContact O-N 3.19Å; E776-R779 CarbonylContact O-C 3.55Å; E776-R779 WeakPolarHBondContact O-CB 3.4Å; E776-R779 PolarHBondContact O-N 3.42Å; E776-K780 WeakPolarHBondContact O-CG 3.21Å; E776-K780 PolarHBondContact O-N 3.03Å
777E68.1Low67.7Low68 Ų6858.1 Ų58.132%0.31830%0.303SS..Hα-helixtrans-78.3-32.5-178.1-132.457.1175.200113.2L725 I773 I774 R779 K780 M781L725-E777 HydrophobicContact CD2-CB 3.84Å; L725-E777 HydrophobicContact CD2-CG 4.15Å; I773-E777 PolarHBondContact O-N 2.88Å; I774-E777 PolarHBondContact O-N 3.32Å; E777-R779 VanDerWaalsContact C-N 3.33Å; E777-K780 PolarHBondContact O-N 3Å; E777-K780 IonicContact OE1-NZ 3.73Å; E777-K780 PolarHBondContact OE1-NZ 3.3Å; E777-K780 VanDerWaalsContact OE2-CD 3.22Å; E777-K780 WeakPolarHBondContact OE2-CD 3.4Å; E777-K780 VanDerWaalsContact OE2-CE 3.27Å; E777-K780 WeakPolarHBondContact OE2-CE 3.29Å; E777-K780 IonicContact OE2-NZ 3.2Å; E777-K780 PolarHBondContact OE2-NZ 2.92Å; E777-M781 WeakPolarHBondContact O-CB 3.42Å; E777-M781 PolarHBondContact O-N 2.99Å
778V70.9Confident67.3Low7 Ų760.1 Ų60.14%0.04232%0.319CS..Hα-helixtrans-64.5-38.2166.7173.30000110.5I774 W782 M807 M811I774-V778 HydrophobicContact CG2-CG2 4.35Å; I774-V778 VanDerWaalsContact O-CB 3.32Å; I774-V778 WeakPolarHBondContact O-CB 3.49Å; I774-V778 WeakPolarHBondContact O-CG2 3.41Å; I774-V778 PolarHBondContact O-N 2.89Å; V778-W782 VanDerWaalsContact O-CB 3.24Å; V778-W782 WeakPolarHBondContact O-CB 3.18Å; V778-W782 PolarHBondContact O-N 3.1Å; V778-M807 HydrophobicContact CG1-CE 3.92Å; V778-M807 HydrophobicContact CG1-CG 3.68Å; V778-M807 HydrophobicContact CG1-SD 3.84Å; V778-M811 HydrophobicContact CG1-CE 3.68Å; V778-M811 HydrophobicContact CG1-CG 4.44Å
779R70.6Confident67.2Low72 Ų7262.8 Ų62.827%0.27234%0.342SS..Hα-helixtrans-66.7-41.6172.6-76.2170.178.9-1673.1112L775 E776 E777 W782 N783 M811 E827L775-R779 VanDerWaalsContact O-CB 3.26Å; L775-R779 WeakPolarHBondContact O-CB 3.21Å; L775-R779 WeakPolarHBondContact O-CG 3.29Å; L775-R779 PolarHBondContact O-N 3.47Å; E776-R779 CarbonylContact O-C 3.55Å; E776-R779 WeakPolarHBondContact O-CB 3.4Å; E776-R779 PolarHBondContact O-N 3.42Å; E777-R779 VanDerWaalsContact C-N 3.33Å; R779-W782 PolarHBondContact O-N 2.96Å; R779-N783 VanDerWaalsContact O-CB 3.28Å; R779-N783 WeakPolarHBondContact O-CB 3.07Å; R779-N783 VanDerWaalsContact O-CG 3.22Å; R779-N783 PolarHBondContact O-N 3.34Å; R779-N783 PolarHBondContact O-ND2 3.33Å; R779-N783 VanDerWaalsContact O-ND2 3.16Å; R779-M811 HydrophobicContact CG-CE 4.02Å; R779-E827 IonicContact CZ-OE1 2.97Å; R779-E827 IonicContact CZ-OE2 2.69Å; R779-E827 IonicContact NE-OE1 2.8Å; R779-E827 IonicContact NE-OE2 3.81Å; R779-E827 PolarHBondContact NE-OE2 3.04Å; R779-E827 VanDerWaalsContact NH2-CD 3.31Å; R779-E827 IonicContact NH2-OE1 2.9Å; R779-E827 PolarHBondContact NH2-OE1 3.4Å; R779-E827 IonicContact NH2-OE2 2.66Å; R779-E827 PolarHBondContact NH2-OE2 3.31Å
780K72.1Confident67.3Low125 Ų12562.3 Ų62.354%0.54333%0.334SS..Hα-helixtrans-63.2-42.4174.4-75.1-168.5-158.71390112.1E776 E777 N783 S784E776-K780 WeakPolarHBondContact O-CG 3.21Å; E776-K780 PolarHBondContact O-N 3.03Å; E777-K780 PolarHBondContact O-N 3Å; E777-K780 IonicContact OE1-NZ 3.73Å; E777-K780 PolarHBondContact OE1-NZ 3.3Å; E777-K780 VanDerWaalsContact OE2-CD 3.22Å; E777-K780 WeakPolarHBondContact OE2-CD 3.4Å; E777-K780 VanDerWaalsContact OE2-CE 3.27Å; E777-K780 WeakPolarHBondContact OE2-CE 3.29Å; E777-K780 IonicContact OE2-NZ 3.2Å; E777-K780 PolarHBondContact OE2-NZ 2.92Å; K780-N783 PolarHBondContact O-N 2.88Å; K780-S784 WeakPolarHBondContact O-CB 3.48Å; K780-S784 PolarHBondContact O-N 3.49Å
781M68.3Low67.2Low29 Ų2956.3 Ų56.314%0.14331%0.305CS..Hα-helixtrans-65.1-42.6174.9-94.9-84.3-81.500112.3M728 E750 E777 N783 S784 F787 M807M728-M781 HydrophobicContact CE-CE 3.81Å; M728-M781 HydrophobicContact CE-CG 3.76Å; M728-M781 HydrophobicContact CE-SD 4.44Å; M728-M781 HydrophobicContact SD-CE 4.03Å; E750-M781 HydrophobicContact CG-CE 4.19Å; E777-M781 WeakPolarHBondContact O-CB 3.42Å; E777-M781 PolarHBondContact O-N 2.99Å; M781-N783 VanDerWaalsContact C-N 3.34Å; M781-N783 PolarHBondContact O-N 2.86Å; M781-S784 WeakPolarHBondContact O-CB 3.44Å; M781-S784 PolarHBondContact O-N 3.29Å; M781-F787 HydrophobicContact CE-CD2 4.22Å; M781-F787 WeakPolarHBondContact O-CB 3.41Å; M781-M807 HydrophobicContact CB-CE 3.7Å; M781-M807 HydrophobicContact CE-CE 4.49Å
782W70.9Confident66.9Low20 Ų2053.7 Ų53.78%0.07630%0.298CS..Hα-helixtrans-64.8-38.4177.6-173.6-95.7000112.4V778 R779 S784 F787 P804 M807 V808 M811 S830 C831 F836V778-W782 VanDerWaalsContact O-CB 3.24Å; V778-W782 WeakPolarHBondContact O-CB 3.18Å; V778-W782 PolarHBondContact O-N 3.1Å; R779-W782 PolarHBondContact O-N 2.96Å; W782-S784 VanDerWaalsContact C-N 3.33Å; W782-F787 HydrophobicContact CD2-CE1 4.49Å; W782-F787 HydrophobicContact CE3-CD1 4.33Å; W782-F787 AromaticContact CE3-CE1 3.57Å; W782-F787 HydrophobicContact CE3-CE1 3.57Å; W782-F787 HydrophobicContact CE3-CZ 4.16Å; W782-F787 AromaticContact CZ3-CE1 3.67Å; W782-F787 HydrophobicContact CZ3-CE1 3.67Å; W782-F787 HydrophobicContact CZ3-CZ 4.21Å; W782-P804 HydrophobicContact CZ3-CB 4.25Å; W782-M807 HydrophobicContact CE3-CB 4.17Å; W782-M807 HydrophobicContact CE3-CG 3.95Å; W782-M807 HydrophobicContact CZ3-CB 4.16Å; W782-M807 HydrophobicContact CZ3-CG 4.44Å; W782-V808 HydrophobicContact CH2-CG2 3.62Å; W782-V808 HydrophobicContact CZ2-CG2 4.15Å; W782-V808 HydrophobicContact CZ3-CG2 4.04Å; W782-M811 HydrophobicContact CB-CE 3.73Å; W782-M811 HydrophobicContact CG-CE 3.94Å; W782-S830 PolarHBondContact NE1-OG 3.36Å; W782-C831 HydrophobicContact CH2-CB 3.85Å; W782-C831 HydrophobicContact CZ2-CB 3.46Å; W782-C831 VanDerWaalsContact CZ2-CB 3.46Å; W782-F836 HydrophobicContact CH2-CD2 4.43Å; W782-F836 AromaticContact CH2-CE2 3.89Å; W782-F836 HydrophobicContact CH2-CE2 3.89Å; W782-F836 HydrophobicContact CZ2-CE2 4.26Å; W782-F836 HydrophobicContact CZ3-CE2 4.49Å
783N67.1Low66.2Low89 Ų8956 Ų5648%0.47631%0.306SS..THydrogen-bonded Turntrans-85-2.6179.6-65.8-28.5000113.8R779 K780 M781R779-N783 VanDerWaalsContact O-CB 3.28Å; R779-N783 WeakPolarHBondContact O-CB 3.07Å; R779-N783 VanDerWaalsContact O-CG 3.22Å; R779-N783 PolarHBondContact O-N 3.34Å; R779-N783 PolarHBondContact O-ND2 3.33Å; R779-N783 VanDerWaalsContact O-ND2 3.16Å; K780-N783 PolarHBondContact O-N 2.88Å; M781-N783 VanDerWaalsContact C-N 3.34Å; M781-N783 PolarHBondContact O-N 2.86Å
784S68.6Low65.2Low41 Ų4160.6 Ų60.629%0.28733%0.325SS..  trans-73.1129.6177.2155.20000111.1K780 M781 W782 G786 F787K780-S784 WeakPolarHBondContact O-CB 3.48Å; K780-S784 PolarHBondContact O-N 3.49Å; M781-S784 WeakPolarHBondContact O-CB 3.44Å; M781-S784 PolarHBondContact O-N 3.29Å; W782-S784 VanDerWaalsContact C-N 3.33Å; S784-G786 PolarHBondContact O-N 3.02Å; S784-G786 VanDerWaalsContact O-N 3.16Å; S784-G786 PolarHBondContact OG-N 3.26Å; S784-F787 PolarHBondContact O-N 3.41Å; S784-F787 VanDerWaalsContact O-N 3.13Å
785P59.9Low64.3Low119 Ų11962 Ų6277%0.77333%0.332SS*.Hα-helixtrans-63.2-22.9178.124.7-32.2000112.8
786G63Low63.5Low30 Ų3066.1 Ų66.131%0.30937%0.368SS..Hα-helixtrans-73.9-26.8176.300000114.1S784 A789 R790S784-G786 PolarHBondContact O-N 3.02Å; S784-G786 VanDerWaalsContact O-N 3.16Å; S784-G786 PolarHBondContact OG-N 3.26Å; G786-A789 PolarHBondContact O-N 3.27Å; G786-R790 VanDerWaalsContact O-CG 3.3Å; G786-R790 WeakPolarHBondContact O-CG 3.29Å; G786-R790 PolarHBondContact O-N 2.84Å; G786-R790 VanDerWaalsContact O-N 3.09Å; G786-R790 PolarHBondContact O-NE 3.07Å
787F66.5Low62.6Low1 Ų167.4 Ų67.40%0.00437%0.369CS..Hα-helixtrans-71.2-43.9179.1179.4-97.5000111.9M781 W782 S784 A789 R790 Y791 M807 F836M781-F787 HydrophobicContact CE-CD2 4.22Å; M781-F787 WeakPolarHBondContact O-CB 3.41Å; W782-F787 HydrophobicContact CD2-CE1 4.49Å; W782-F787 HydrophobicContact CE3-CD1 4.33Å; W782-F787 AromaticContact CE3-CE1 3.57Å; W782-F787 HydrophobicContact CE3-CE1 3.57Å; W782-F787 HydrophobicContact CE3-CZ 4.16Å; W782-F787 AromaticContact CZ3-CE1 3.67Å; W782-F787 HydrophobicContact CZ3-CE1 3.67Å; W782-F787 HydrophobicContact CZ3-CZ 4.21Å; S784-F787 PolarHBondContact O-N 3.41Å; S784-F787 VanDerWaalsContact O-N 3.13Å; F787-A789 VanDerWaalsContact C-N 3.26Å; F787-A789 PolarHBondContact O-N 3.12Å; F787-R790 PolarHBondContact O-N 3.39Å; F787-Y791 AromaticContact CD2-CD2 3.74Å; F787-Y791 HydrophobicContact CD2-CD2 3.74Å; F787-Y791 AromaticContact CD2-CE2 3.84Å; F787-Y791 HydrophobicContact CD2-CE2 3.84Å; F787-Y791 AromaticContact CE2-CD2 3.51Å; F787-Y791 HydrophobicContact CE2-CD2 3.51Å; F787-Y791 AromaticContact CE2-CE2 3.52Å; F787-Y791 HydrophobicContact CE2-CE2 3.52Å; F787-Y791 HydrophobicContact CG-CD2 4.41Å; F787-Y791 HydrophobicContact CZ-CD2 4.01Å; F787-Y791 HydrophobicContact CZ-CE2 4.35Å; F787-Y791 PolarHBondContact O-N 3.16Å; F787-M807 HydrophobicContact CE2-CE 4.43Å; F787-F836 HydrophobicContact CD1-CZ 4.15Å; F787-F836 HydrophobicContact CE1-CE1 4.32Å; F787-F836 AromaticContact CE1-CZ 3.93Å; F787-F836 HydrophobicContact CE1-CZ 3.93Å
788S61.6Low61.9Low56 Ų5671.4 Ų71.439%0.39239%0.386SS..Hα-helixtrans-64.3-29.9175.1-175.60000112.8G792S788-G792 WeakPolarHBondContact O-CA 3.28Å; S788-G792 PolarHBondContact O-N 3.49Å
789A61.8Low61.3Low61 Ų6173.7 Ų73.750%0.50440%0.402SS..Hα-helixtrans-76.7-38.717700000112.7G786 F787G786-A789 PolarHBondContact O-N 3.27Å; F787-A789 VanDerWaalsContact C-N 3.26Å; F787-A789 PolarHBondContact O-N 3.12Å
790R66.1Low60.8Low81 Ų8170.5 Ų70.531%0.30639%0.39SS..Hα-helixtrans-71.8-36.3-178.9-73.3-177.4-65.4173.212.8113.9E750 G786 F787E750-R790 IonicContact OE1-CZ 2.81Å; E750-R790 IonicContact OE1-NH1 3.18Å; E750-R790 PolarHBondContact OE1-NH1 3.49Å; E750-R790 IonicContact OE1-NH2 3.46Å; E750-R790 PolarHBondContact OE1-NH2 3.14Å; E750-R790 IonicContact OE2-CZ 3.69Å; E750-R790 IonicContact OE2-NH1 3.13Å; E750-R790 IonicContact OE2-NH2 3.08Å; E750-R790 PolarHBondContact OE2-NH2 3.43Å; G786-R790 VanDerWaalsContact O-CG 3.3Å; G786-R790 WeakPolarHBondContact O-CG 3.29Å; G786-R790 PolarHBondContact O-N 2.84Å; G786-R790 VanDerWaalsContact O-N 3.09Å; G786-R790 PolarHBondContact O-NE 3.07Å; F787-R790 PolarHBondContact O-N 3.39Å
791Y64.4Low60.5Low10 Ų1068.5 Ų68.54%0.03938%0.379CS..Hα-helixtrans-105.3-3.3-176.8-69.9-79.5000114.8L747 E750 F787 L795 F800 V803L747-Y791 HydrophobicContact CD2-CD1 4.14Å; L747-Y791 HydrophobicContact CD2-CE1 3.44Å; L747-Y791 VanDerWaalsContact CD2-CE1 3.44Å; L747-Y791 HydrophobicContact CD2-CE2 3.93Å; L747-Y791 WeakPolarHBondContact CD2-OH 3.48Å; E750-Y791 PolarHBondContact OE2-OH 3.21Å; F787-Y791 AromaticContact CD2-CD2 3.74Å; F787-Y791 HydrophobicContact CD2-CD2 3.74Å; F787-Y791 AromaticContact CD2-CE2 3.84Å; F787-Y791 HydrophobicContact CD2-CE2 3.84Å; F787-Y791 AromaticContact CE2-CD2 3.51Å; F787-Y791 HydrophobicContact CE2-CD2 3.51Å; F787-Y791 AromaticContact CE2-CE2 3.52Å; F787-Y791 HydrophobicContact CE2-CE2 3.52Å; F787-Y791 HydrophobicContact CG-CD2 4.41Å; F787-Y791 HydrophobicContact CZ-CD2 4.01Å; F787-Y791 HydrophobicContact CZ-CE2 4.35Å; F787-Y791 PolarHBondContact O-N 3.16Å; Y791-L795 HydrophobicContact CD1-CD1 3.89Å; Y791-F800 HydrophobicContact CE1-CB 4.36Å; Y791-V803 HydrophobicContact CE1-CB 4.02Å; Y791-V803 HydrophobicContact CE1-CG1 4.28Å; Y791-V803 HydrophobicContact CE1-CG2 4.27Å
792G57.7Low60.5Low16 Ų1672.2 Ų72.217%0.16540%0.395CS..Hα-helixtrans-99.2-15.7-17300000117S788 K835S788-G792 WeakPolarHBondContact O-CA 3.28Å; S788-G792 PolarHBondContact O-N 3.49Å; G792-K835 WeakPolarHBondContact CA-O 3.4Å
793N54.2Low60.6Low124 Ų12471.2 Ų71.266%0.66339%0.391SS*.SBendtrans-104.3152174.4-69.7-22.5000110L795N793-L795 PolarHBondContact O-N 3.35Å
794E48.6Very low61Low196 Ų19667.1 Ų67.192%0.91637%0.369SS*.  trans-43.4104.1-173.1-68.8-178.9162.700113.7
795L49.8Very low61.4Low36 Ų3668.1 Ų68.119%0.18837%0.368CS..  trans-91.3129.9176.9-81.3164.2000110.5L747 Y791 N793 Y797 W801L747-L795 HydrophobicContact CD1-CD2 3.95Å; Y791-L795 HydrophobicContact CD1-CD1 3.89Å; N793-L795 PolarHBondContact O-N 3.35Å; L795-Y797 VanDerWaalsContact C-N 3.26Å; L795-Y797 PolarHBondContact O-N 3.12Å; L795-Y797 VanDerWaalsContact O-N 3.13Å; L795-W801 PolarHBondContact O-NE1 2.74Å
796A51Low62.2Low97 Ų9763.6 Ų63.680%0.80234%0.336SS*.SBendtrans-66.1-10.9-173.700000116.4
797Y53.8Low62.8Low137 Ų13762.3 Ų62.354%0.53732%0.322SS..  trans-128.3123.8-173.7-72.8-82.8000113.7M744 L795 S799 F800M744-Y797 HydrophobicContact CE-CD2 4.04Å; M744-Y797 HydrophobicContact CE-CE2 4.1Å; M744-Y797 HydrophobicContact SD-CD2 4.06Å; M744-Y797 HydrophobicContact SD-CE2 4.39Å; L795-Y797 VanDerWaalsContact C-N 3.26Å; L795-Y797 PolarHBondContact O-N 3.12Å; L795-Y797 VanDerWaalsContact O-N 3.13Å; Y797-S799 PolarHBondContact O-N 2.95Å; Y797-S799 VanDerWaalsContact O-N 3.16Å; Y797-F800 PolarHBondContact O-N 2.75Å
798F53.5Low63.3Low153 Ų15362.3 Ų62.367%0.67132%0.322SS*.THydrogen-bonded Turntrans-61.4-22.2-174.9-169.3-95.4000114.7F800 W801F798-F800 PolarHBondContact O-N 3.15Å; F798-W801 HydrophobicContact CD2-CE3 4.34Å; F798-W801 HydrophobicContact CD2-CZ3 4.47Å
799S57.2Low63.9Low54 Ų5462.4 Ų62.438%0.37832%0.315SS..THydrogen-bonded Turntrans-68.9-29.8-17739.10000113.7Y797Y797-S799 PolarHBondContact O-N 2.95Å; Y797-S799 VanDerWaalsContact O-N 3.16Å
800F59.8Low64.7Low6 Ų659.7 Ų59.73%0.02629%0.292CS..G310 helixtrans-87.3-16.4-176.3-55.7-61.8000113.8M744 L747 E748 A751 Y791 Y797 F798 K802 V803M744-F800 HydrophobicContact CE-CE2 4.13Å; M744-F800 HydrophobicContact CE-CZ 4.44Å; M744-F800 HydrophobicContact SD-CE2 4.06Å; L747-F800 HydrophobicContact CB-CD1 4.37Å; E748-F800 HydrophobicContact CB-CE1 4.31Å; E748-F800 HydrophobicContact CG-CE1 3.51Å; E748-F800 HydrophobicContact CG-CZ 3.31Å; A751-F800 HydrophobicContact CB-CD1 3.83Å; A751-F800 HydrophobicContact CB-CE1 4.15Å; Y791-F800 HydrophobicContact CE1-CB 4.36Å; Y797-F800 PolarHBondContact O-N 2.75Å; F798-F800 PolarHBondContact O-N 3.15Å; F800-K802 PolarHBondContact O-N 3.41Å; F800-V803 WeakPolarHBondContact O-CG2 3.43Å; F800-V803 PolarHBondContact O-N 3.26Å; F800-V803 VanDerWaalsContact O-N 3.11Å
801W67Low65.1Low83 Ų8356 Ų5631%0.31428%0.278SS..G310 helixtrans-65.4-6.8178.3-6315000113.1L795 F798 L837 C838L795-W801 PolarHBondContact O-NE1 2.74Å; F798-W801 HydrophobicContact CD2-CE3 4.34Å; F798-W801 HydrophobicContact CD2-CZ3 4.47Å; W801-L837 HydrophobicContact CD2-CB 4.29Å; W801-L837 HydrophobicContact CE3-CB 4.16Å; W801-L837 HydrophobicContact CH2-CD1 4.28Å; W801-L837 HydrophobicContact CH2-CD2 4.39Å; W801-L837 HydrophobicContact CZ2-CD1 3.99Å; W801-L837 HydrophobicContact CZ3-CB 4.42Å; W801-L837 HydrophobicContact CZ3-CD2 4.44Å; W801-C838 PolarHBondContact O-SG 2.64Å
802K67.6Low65.7Low106 Ų10656 Ų5646%0.46128%0.279SS..G310 helixtrans-93.6-11.2176.4-68.5-178.9-178.9171.70113.7F800 K805 W806F800-K802 PolarHBondContact O-N 3.41Å; K802-K805 WeakPolarHBondContact O-CB 3.21Å; K802-K805 PolarHBondContact O-N 3.12Å; K802-W806 HydrophobicContact CB-CD2 4.22Å; K802-W806 HydrophobicContact CB-CH2 4.01Å; K802-W806 HydrophobicContact CB-CZ2 3.6Å; K802-W806 HydrophobicContact CB-CZ3 4.47Å; K802-W806 HydrophobicContact CD-CZ2 4.07Å; K802-W806 HydrophobicContact CG-CZ2 4.48Å; K802-W806 PolarHBondContact O-N 2.93Å
803V74.3Confident66.5Low0 Ų056.9 Ų56.90%028%0.281CS..Hα-helixtrans-63.1-49.2-174.4179.10000112.5A751 I754 Y791 F800 K805 W806 M807A751-V803 HydrophobicContact CB-CG2 3.39Å; I754-V803 HydrophobicContact CB-CG1 4.24Å; I754-V803 HydrophobicContact CD1-CG1 3.35Å; I754-V803 HydrophobicContact CG1-CG1 4.37Å; I754-V803 HydrophobicContact CG2-CG1 4.19Å; Y791-V803 HydrophobicContact CE1-CB 4.02Å; Y791-V803 HydrophobicContact CE1-CG1 4.28Å; Y791-V803 HydrophobicContact CE1-CG2 4.27Å; F800-V803 WeakPolarHBondContact O-CG2 3.43Å; F800-V803 PolarHBondContact O-N 3.26Å; F800-V803 VanDerWaalsContact O-N 3.11Å; V803-K805 PolarHBondContact O-N 3.12Å; V803-W806 HydrophobicContact CG2-CE3 4.22Å; V803-W806 HydrophobicContact CG2-CZ3 4.12Å; V803-W806 PolarHBondContact O-N 3.38Å; V803-W806 VanDerWaalsContact O-N 3.08Å; V803-M807 PolarHBondContact O-N 2.84Å
804P74.1Confident67.6Low2 Ų253 Ų531%0.01326%0.257CS..Hα-helixtrans-60.4-36.1175.5-22.534.2000112.2W782 W806 M807 V808 F836 F840W782-P804 HydrophobicContact CZ3-CB 4.25Å; P804-W806 PolarHBondContact O-N 3.25Å; P804-M807 PolarHBondContact O-N 3.09Å; P804-V808 WeakPolarHBondContact O-CG2 3.48Å; P804-V808 PolarHBondContact O-N 3Å; P804-F836 HydrophobicContact CB-CG 4.38Å; P804-F836 HydrophobicContact CG-CD1 4.14Å; P804-F836 HydrophobicContact CG-CG 4.41Å; P804-F840 HydrophobicContact CB-CZ 4.01Å
805K76.9Confident68.7Low62 Ų6243.7 Ų43.727%0.2721%0.214SC..Hα-helixtrans-64.2-37.4175.9175.7170-173.4161.70112.6K802 V803 K809 F842K802-K805 WeakPolarHBondContact O-CB 3.21Å; K802-K805 PolarHBondContact O-N 3.12Å; V803-K805 PolarHBondContact O-N 3.12Å; K805-K809 WeakPolarHBondContact O-CG 3.43Å; K805-K809 PolarHBondContact O-N 3.11Å; K805-K809 VanDerWaalsContact O-N 3.16Å; K805-F842 HydrophobicContact CD-CE1 4.39Å; K805-F842 HydrophobicContact CG-CD1 4.48Å; K805-F842 HydrophobicContact CG-CE1 3.8Å; K805-F842 HydrophobicContact CG-CZ 4.44Å
806W77.5Confident69.9Low25 Ų2548.4 Ų48.410%0.09523%0.229CC..Hα-helixtrans-71.5-41.7176.1-64.4-32.7000111.9I754 Y755 W758 K802 V803 P804 V808 K809 V810I754-W806 HydrophobicContact CG2-CB 3.87Å; Y755-W806 HydrophobicContact CD2-CD2 4.04Å; Y755-W806 AromaticContact CD2-CE2 3.75Å; Y755-W806 HydrophobicContact CD2-CE3 4.1Å; Y755-W806 AromaticContact CD2-CH2 3.67Å; Y755-W806 HydrophobicContact CD2-CH2 3.67Å; Y755-W806 AromaticContact CD2-CZ2 3.57Å; Y755-W806 HydrophobicContact CD2-CZ2 3.57Å; Y755-W806 AromaticContact CD2-CZ3 3.93Å; Y755-W806 HydrophobicContact CD2-CZ3 3.93Å; Y755-W806 HydrophobicContact CE2-CH2 4.45Å; Y755-W806 HydrophobicContact CE2-CZ2 4.06Å; Y755-W806 HydrophobicContact CG-CH2 4.33Å; Y755-W806 HydrophobicContact CG-CZ3 4.28Å; W758-W806 HydrophobicContact CB-CB 4.07Å; W758-W806 HydrophobicContact CB-CG 4.47Å; W758-W806 AromaticContact CD2-CD1 3.85Å; W758-W806 HydrophobicContact CD2-CG 4.42Å; W758-W806 AromaticContact CE3-CD1 3.88Å; W758-W806 HydrophobicContact CE3-CG 4.48Å; W758-W806 HydrophobicContact CG-CB 4.24Å; W758-W806 HydrophobicContact CG-CG 4.4Å; K802-W806 HydrophobicContact CB-CD2 4.22Å; K802-W806 HydrophobicContact CB-CH2 4.01Å; K802-W806 HydrophobicContact CB-CZ2 3.6Å; K802-W806 HydrophobicContact CB-CZ3 4.47Å; K802-W806 HydrophobicContact CD-CZ2 4.07Å; K802-W806 HydrophobicContact CG-CZ2 4.48Å; K802-W806 PolarHBondContact O-N 2.93Å; V803-W806 HydrophobicContact CG2-CE3 4.22Å; V803-W806 HydrophobicContact CG2-CZ3 4.12Å; V803-W806 PolarHBondContact O-N 3.38Å; V803-W806 VanDerWaalsContact O-N 3.08Å; P804-W806 PolarHBondContact O-N 3.25Å; W806-V808 PolarHBondContact O-N 3.39Å; W806-K809 PolarHBondContact O-N 3.49Å; W806-K809 VanDerWaalsContact O-N 3.15Å; W806-V810 WeakPolarHBondContact O-CG2 3.43Å; W806-V810 PolarHBondContact O-N 3.11Å
807M76Confident70.7Confident2 Ų246.3 Ų46.31%0.0121%0.212CC..Hα-helixtrans-55.3-50.3175.2-14688.6145.200111.4I754 V778 M781 W782 F787 V803 P804 K809 V810 M811I754-M807 HydrophobicContact CB-SD 4.39Å; I754-M807 HydrophobicContact CD1-CE 4Å; I754-M807 HydrophobicContact CD1-SD 3.46Å; I754-M807 WeakPolarHBondContact CD1-SD 3.47Å; I754-M807 HydrophobicContact CG1-CE 4.5Å; I754-M807 HydrophobicContact CG1-SD 3.65Å; I754-M807 HydrophobicContact CG2-CB 4.48Å; I754-M807 HydrophobicContact CG2-SD 3.79Å; V778-M807 HydrophobicContact CG1-CE 3.92Å; V778-M807 HydrophobicContact CG1-CG 3.68Å; V778-M807 HydrophobicContact CG1-SD 3.84Å; M781-M807 HydrophobicContact CB-CE 3.7Å; M781-M807 HydrophobicContact CE-CE 4.49Å; W782-M807 HydrophobicContact CE3-CB 4.17Å; W782-M807 HydrophobicContact CE3-CG 3.95Å; W782-M807 HydrophobicContact CZ3-CB 4.16Å; W782-M807 HydrophobicContact CZ3-CG 4.44Å; F787-M807 HydrophobicContact CE2-CE 4.43Å; V803-M807 PolarHBondContact O-N 2.84Å; P804-M807 PolarHBondContact O-N 3.09Å; M807-K809 VanDerWaalsContact C-N 3.33Å; M807-K809 PolarHBondContact O-N 2.7Å; M807-V810 PolarHBondContact O-N 2.9Å; M807-M811 PolarHBondContact O-N 3.33Å; M807-M811 VanDerWaalsContact O-N 3.13Å
808V76Confident71.4Confident1 Ų142.4 Ų42.41%0.00620%0.2CC..Hα-helixtrans-63.9-36.8177.9173.70000111.5W782 P804 W806 M811 L812 L828 C831 F840 F842W782-V808 HydrophobicContact CH2-CG2 3.62Å; W782-V808 HydrophobicContact CZ2-CG2 4.15Å; W782-V808 HydrophobicContact CZ3-CG2 4.04Å; P804-V808 WeakPolarHBondContact O-CG2 3.48Å; P804-V808 PolarHBondContact O-N 3Å; W806-V808 PolarHBondContact O-N 3.39Å; V808-M811 PolarHBondContact O-N 3.45Å; V808-L812 VanDerWaalsContact O-CB 3.28Å; V808-L812 WeakPolarHBondContact O-CB 3.5Å; V808-L812 PolarHBondContact O-N 3Å; V808-L828 HydrophobicContact CG1-CD2 3.92Å; V808-C831 HydrophobicContact CG2-CB 3.93Å; V808-F840 HydrophobicContact CB-CE1 4.22Å; V808-F840 HydrophobicContact CG1-CD1 4.49Å; V808-F840 HydrophobicContact CG2-CD1 4.31Å; V808-F840 HydrophobicContact CG2-CE1 3.72Å; V808-F842 HydrophobicContact CB-CZ 4.19Å; V808-F842 HydrophobicContact CG1-CE2 4.25Å; V808-F842 HydrophobicContact CG1-CZ 3.74Å
809K75.7Confident72.1Confident58 Ų5838.4 Ų38.425%0.25219%0.19SC..Hα-helixtrans-65.7-37.9175.6-79.4-174.8177.1-163.60113.1W758 K805 W806 M807 L812 V813 F842W758-K809 HydrophobicContact CZ2-CD 4.13Å; K805-K809 WeakPolarHBondContact O-CG 3.43Å; K805-K809 PolarHBondContact O-N 3.11Å; K805-K809 VanDerWaalsContact O-N 3.16Å; W806-K809 PolarHBondContact O-N 3.49Å; W806-K809 VanDerWaalsContact O-N 3.15Å; M807-K809 VanDerWaalsContact C-N 3.33Å; M807-K809 PolarHBondContact O-N 2.7Å; K809-L812 PolarHBondContact O-N 3.22Å; K809-V813 WeakPolarHBondContact O-CG2 3.3Å; K809-V813 PolarHBondContact O-N 3.27Å; K809-V813 VanDerWaalsContact O-N 3.09Å; K809-F842 HydrophobicContact CD-CE2 4.5Å; K809-F842 HydrophobicContact CG-CD2 4.24Å; K809-F842 HydrophobicContact CG-CE1 4.46Å; K809-F842 HydrophobicContact CG-CE2 3.51Å; K809-F842 HydrophobicContact CG-CZ 3.63Å
810V77.4Confident72.4Confident4 Ų439.8 Ų39.82%0.02420%0.199CC..Hα-helixtrans-62.5-49.6175.2173.30000110F757 W758 L768 W806 M807 L812 V813 Y814F757-V810 HydrophobicContact CB-CG2 4.47Å; W758-V810 VanDerWaalsContact CA-CG2 3.46Å; W758-V810 HydrophobicContact CB-CG2 3.79Å; W758-V810 HydrophobicContact CG-CG2 4.45Å; L768-V810 HydrophobicContact CD1-CG1 3.85Å; L768-V810 HydrophobicContact CD2-CG1 4.07Å; W806-V810 WeakPolarHBondContact O-CG2 3.43Å; W806-V810 PolarHBondContact O-N 3.11Å; M807-V810 PolarHBondContact O-N 2.9Å; V810-L812 VanDerWaalsContact C-N 3.3Å; V810-L812 PolarHBondContact O-N 3.06Å; V810-V813 PolarHBondContact O-N 2.69Å; V810-Y814 PolarHBondContact O-N 3.44Å
811M74.4Confident72.9Confident3 Ų342.3 Ų42.32%0.01521%0.213CC..Hα-helixtrans-61.7-35.4176.6-67.5-176.9176.700112.7V778 R779 W782 M807 V808 Y814 F815 L828V778-M811 HydrophobicContact CG1-CE 3.68Å; V778-M811 HydrophobicContact CG1-CG 4.44Å; R779-M811 HydrophobicContact CG-CE 4.02Å; W782-M811 HydrophobicContact CB-CE 3.73Å; W782-M811 HydrophobicContact CG-CE 3.94Å; M807-M811 PolarHBondContact O-N 3.33Å; M807-M811 VanDerWaalsContact O-N 3.13Å; V808-M811 PolarHBondContact O-N 3.45Å; M811-Y814 PolarHBondContact O-N 3.35Å; M811-F815 PolarHBondContact O-N 3.37Å; M811-F815 VanDerWaalsContact O-N 3.1Å; M811-L828 HydrophobicContact CB-CD2 3.63Å; M811-L828 HydrophobicContact CB-CG 4.24Å; M811-L828 HydrophobicContact SD-CD2 4.33Å
812L77.7Confident72.9Confident12 Ų1239.9 Ų39.96%0.06321%0.208CC..Hα-helixtrans-68.2-38.4178.2-164.2103.2000113.2V808 K809 V810 Y814 F815 R816 F843 Y846V808-L812 VanDerWaalsContact O-CB 3.28Å; V808-L812 WeakPolarHBondContact O-CB 3.5Å; V808-L812 PolarHBondContact O-N 3Å; K809-L812 PolarHBondContact O-N 3.22Å; V810-L812 VanDerWaalsContact C-N 3.3Å; V810-L812 PolarHBondContact O-N 3.06Å; L812-Y814 VanDerWaalsContact C-N 3.26Å; L812-Y814 PolarHBondContact O-N 3.49Å; L812-F815 PolarHBondContact O-N 2.75Å; L812-R816 PolarHBondContact O-N 3Å; L812-F843 HydrophobicContact CD1-CD2 3.23Å; L812-F843 HydrophobicContact CD1-CE2 3.53Å; L812-F843 HydrophobicContact CD1-CG 4.36Å; L812-Y846 HydrophobicContact CD1-CD1 3.93Å; L812-Y846 HydrophobicContact CD1-CE1 4.32Å; L812-Y846 HydrophobicContact CD1-CG 4.38Å
813V75Confident72.9Confident33 Ų3339 Ų3920%0.221%0.208CC..Hα-helixtrans-62.5-38.4177.3170.30000110.4V765 K809 V810 A817V765-V813 HydrophobicContact CG1-CG1 4.05Å; K809-V813 WeakPolarHBondContact O-CG2 3.3Å; K809-V813 PolarHBondContact O-N 3.27Å; K809-V813 VanDerWaalsContact O-N 3.09Å; V810-V813 PolarHBondContact O-N 2.69Å; V813-A817 PolarHBondContact O-N 3.08Å
814Y75.5Confident72.8Confident42 Ų4239.2 Ų39.217%0.16521%0.209CC..Hα-helixtrans-64.3-47.1172.7-171.8-95.9000112L768 L769 L775 V810 M811 L812 R816 A817 D818 L824L768-Y814 HydrophobicContact CD2-CD2 4.06Å; L768-Y814 HydrophobicContact CD2-CG 4.33Å; L769-Y814 HydrophobicContact CD2-CD2 4.41Å; L769-Y814 HydrophobicContact CD2-CE2 3.89Å; L775-Y814 HydrophobicContact CD1-CD1 4.48Å; L775-Y814 HydrophobicContact CD1-CD2 4.26Å; L775-Y814 HydrophobicContact CD1-CG 4Å; L775-Y814 HydrophobicContact CD2-CD1 3.86Å; L775-Y814 HydrophobicContact CD2-CD2 4.39Å; L775-Y814 HydrophobicContact CD2-CE1 3.9Å; L775-Y814 HydrophobicContact CD2-CE2 4.41Å; L775-Y814 HydrophobicContact CD2-CG 4.12Å; V810-Y814 PolarHBondContact O-N 3.44Å; M811-Y814 PolarHBondContact O-N 3.35Å; L812-Y814 VanDerWaalsContact C-N 3.26Å; L812-Y814 PolarHBondContact O-N 3.49Å; Y814-R816 VanDerWaalsContact C-N 3.28Å; Y814-R816 PolarHBondContact O-N 3.06Å; Y814-A817 PolarHBondContact O-N 3.45Å; Y814-D818 PolarHBondContact O-N 3.12Å; Y814-L824 HydrophobicContact CD1-CD1 4.32Å; Y814-L824 HydrophobicContact CD1-CD2 3.97Å; Y814-L824 HydrophobicContact CE1-CD1 4.45Å
815F73.4Confident72.7Confident2 Ų239.1 Ų39.11%0.00921%0.208CC..Hα-helixtrans-63.8-30.6179.7-167.9-101000113.5M811 L812 A817 D818 N821 L824 L825 L828 Y846 L851M811-F815 PolarHBondContact O-N 3.37Å; M811-F815 VanDerWaalsContact O-N 3.1Å; L812-F815 PolarHBondContact O-N 2.75Å; F815-A817 VanDerWaalsContact C-N 3.29Å; F815-A817 PolarHBondContact O-N 3.3Å; F815-D818 CarbonylContact O-C 3.48Å; F815-N821 WeakPolarHBondContact CE2-O 3.4Å; F815-L824 HydrophobicContact CB-CD2 3.94Å; F815-L824 HydrophobicContact CD2-CB 4.29Å; F815-L824 HydrophobicContact CD2-CD2 4.04Å; F815-L824 HydrophobicContact CG-CD2 4.45Å; F815-L825 HydrophobicContact CE1-CD1 4.04Å; F815-L825 HydrophobicContact CE2-CB 3.81Å; F815-L825 HydrophobicContact CZ-CB 3.84Å; F815-L825 HydrophobicContact CZ-CD1 4Å; F815-L825 HydrophobicContact CZ-CD2 4.41Å; F815-L825 HydrophobicContact CZ-CG 4.3Å; F815-L828 HydrophobicContact CB-CD1 4.1Å; F815-L828 HydrophobicContact CG-CD1 4.3Å; F815-Y846 HydrophobicContact CD1-CE1 4.33Å; F815-L851 HydrophobicContact CE1-CD1 4.36Å
816R74.2Confident72.4Confident135 Ų13537.5 Ų37.551%0.50920%0.202SC..Hα-helixtrans-66.3-29.1172.7-82.7-178170.8-169.8-9.7113L812 Y814 Y846 E850L812-R816 PolarHBondContact O-N 3Å; Y814-R816 VanDerWaalsContact C-N 3.28Å; Y814-R816 PolarHBondContact O-N 3.06Å; R816-Y846 HydrophobicContact CG-CE2 3.97Å; R816-E850 IonicContact CZ-OE2 2.68Å; R816-E850 IonicContact NH2-OE1 3.58Å; R816-E850 IonicContact NH2-OE2 3.64Å; R816-E850 PolarHBondContact NH2-OE2 3.01Å
817A68.2Low72.1Confident52 Ų5238.2 Ų38.243%0.4321%0.206SC..Hα-helixtrans-82.9-32.3179.100000112.6L769 V813 Y814 F815L769-A817 HydrophobicContact CD1-CB 4.28Å; V813-A817 PolarHBondContact O-N 3.08Å; Y814-A817 PolarHBondContact O-N 3.45Å; F815-A817 VanDerWaalsContact C-N 3.29Å; F815-A817 PolarHBondContact O-N 3.3Å
818D68.2Low72Confident56 Ų5638.1 Ų38.130%0.29921%0.206SC..  trans-132.486.3175-172.15.9000112.3Y814 F815 S820Y814-D818 PolarHBondContact O-N 3.12Å; F815-D818 CarbonylContact O-C 3.48Å; D818-S820 PolarHBondContact O-N 2.98Å; D818-S820 WeakPolarHBondContact OD1-CB 3.47Å; D818-S820 PolarHBondContact OD1-N 3.48Å; D818-S820 PolarHBondContact OD1-OG 3.31Å
819P67.7Low71.7Confident68 Ų6838.1 Ų38.144%0.44221%0.206SC..THydrogen-bonded Turntrans-72.6-3.8-177.827.5-32.9000114.2N821P819-N821 VanDerWaalsContact C-N 3.3Å; P819-N821 PolarHBondContact O-N 3.43Å
820S64.5Low71.6Confident83 Ų8336.8 Ų36.858%0.5820%0.204SC*.THydrogen-bonded Turntrans-74.9-18.3-178.973.80000113.4D818 V822D818-S820 PolarHBondContact O-N 2.98Å; D818-S820 WeakPolarHBondContact OD1-CB 3.47Å; D818-S820 PolarHBondContact OD1-N 3.48Å; D818-S820 PolarHBondContact OD1-OG 3.31Å; S820-V822 PolarHBondContact O-N 3.5Å; S820-V822 VanDerWaalsContact O-N 3.08Å
821N69.4Low71.3Confident59 Ų5936.6 Ų36.632%0.31620%0.203SC..  trans-89.374.1-168.4-149.4-23.4000113.6F815 P819 N823 L824F815-N821 WeakPolarHBondContact CE2-O 3.4Å; P819-N821 VanDerWaalsContact C-N 3.3Å; P819-N821 PolarHBondContact O-N 3.43Å; N821-N823 PolarHBondContact O-N 3.07Å; N821-N823 VanDerWaalsContact O-N 3.09Å; N821-L824 WeakPolarHBondContact O-CB 3.43Å; N821-L824 PolarHBondContact O-N 2.87Å
822V66.6Low71Confident33 Ų3338 Ų3820%0.221%0.21CC..Hα-helixtrans-57.1-27-175.3-1750000113.8S820 L824 L825 M826 L863S820-V822 PolarHBondContact O-N 3.5Å; S820-V822 VanDerWaalsContact O-N 3.08Å; V822-L824 VanDerWaalsContact C-N 3.31Å; V822-L824 PolarHBondContact O-N 3.33Å; V822-L825 WeakPolarHBondContact O-CB 3.27Å; V822-L825 PolarHBondContact O-N 3.13Å; V822-M826 WeakPolarHBondContact O-CG 3.42Å; V822-M826 PolarHBondContact O-N 2.83Å; V822-L863 HydrophobicContact CG1-CD1 4.16Å
823N68.6Low70.3Confident88 Ų8840.1 Ų40.147%0.47122%0.221SC..Hα-helixtrans-65-35.4176.7-73.8-26.8000112.4N821 M826 E827N821-N823 PolarHBondContact O-N 3.07Å; N821-N823 VanDerWaalsContact O-N 3.09Å; N823-M826 PolarHBondContact O-N 3.27Å; N823-E827 PolarHBondContact O-N 2.89Å; N823-E827 VanDerWaalsContact O-N 3.1Å
824L71Confident69.7Low3 Ų340 Ų402%0.01622%0.223CC..Hα-helixtrans-71.1-34.7176.9-154.5108.2000111.3L775 Y814 F815 N821 V822 E827 L828L775-L824 HydrophobicContact CD2-CD1 3.78Å; Y814-L824 HydrophobicContact CD1-CD1 4.32Å; Y814-L824 HydrophobicContact CD1-CD2 3.97Å; Y814-L824 HydrophobicContact CE1-CD1 4.45Å; F815-L824 HydrophobicContact CB-CD2 3.94Å; F815-L824 HydrophobicContact CD2-CB 4.29Å; F815-L824 HydrophobicContact CD2-CD2 4.04Å; F815-L824 HydrophobicContact CG-CD2 4.45Å; N821-L824 WeakPolarHBondContact O-CB 3.43Å; N821-L824 PolarHBondContact O-N 2.87Å; V822-L824 VanDerWaalsContact C-N 3.31Å; V822-L824 PolarHBondContact O-N 3.33Å; L824-E827 PolarHBondContact O-N 3.13Å; L824-L828 HydrophobicContact CD2-CD1 4.12Å; L824-L828 WeakPolarHBondContact O-CB 3.31Å; L824-L828 WeakPolarHBondContact O-CG 3.44Å; L824-L828 PolarHBondContact O-N 3.38Å
825L73.4Confident69Low1 Ų146.6 Ų46.61%0.00525%0.252CS..Hα-helixtrans-62-43.4171.2-176.570.3000111.1F815 V822 E827 L828 L829 L847 L863 L884F815-L825 HydrophobicContact CE1-CD1 4.04Å; F815-L825 HydrophobicContact CE2-CB 3.81Å; F815-L825 HydrophobicContact CZ-CB 3.84Å; F815-L825 HydrophobicContact CZ-CD1 4Å; F815-L825 HydrophobicContact CZ-CD2 4.41Å; F815-L825 HydrophobicContact CZ-CG 4.3Å; V822-L825 WeakPolarHBondContact O-CB 3.27Å; V822-L825 PolarHBondContact O-N 3.13Å; L825-E827 VanDerWaalsContact C-N 3.29Å; L825-E827 PolarHBondContact O-N 3.23Å; L825-L828 PolarHBondContact O-N 3.27Å; L825-L829 HydrophobicContact CG-CD1 4.02Å; L825-L829 HydrophobicContact CG-CG 4.48Å; L825-L829 WeakPolarHBondContact O-CB 3.21Å; L825-L829 WeakPolarHBondContact O-CD1 3.38Å; L825-L829 WeakPolarHBondContact O-CG 3.37Å; L825-L829 PolarHBondContact O-N 2.95Å; L825-L847 HydrophobicContact CD1-CD2 3.97Å; L825-L863 HydrophobicContact CD2-CD1 4.08Å; L825-L884 HydrophobicContact CD2-CD1 4.12Å
826M69.2Low68.3Low27 Ų2747.8 Ų47.813%0.13326%0.257CS..Hα-helixtrans-62.9-35176.1-70.7-66.7-77.100112.2V822 N823 L829 T880 L881 L884V822-M826 WeakPolarHBondContact O-CG 3.42Å; V822-M826 PolarHBondContact O-N 2.83Å; N823-M826 PolarHBondContact O-N 3.27Å; M826-L829 HydrophobicContact SD-CD1 4.45Å; M826-T880 WeakPolarHBondContact O-CG2 3.27Å; M826-L881 HydrophobicContact CE-CD2 3.3Å; M826-L881 HydrophobicContact CE-CG 3.72Å; M826-L881 HydrophobicContact SD-CD2 4.44Å; M826-L884 HydrophobicContact SD-CB 4.37Å; M826-L884 HydrophobicContact SD-CD1 4Å; M826-L884 HydrophobicContact SD-CD2 4.05Å; M826-L884 HydrophobicContact SD-CG 4.37Å
827E72.2Confident67.4Low40 Ų4046.1 Ų46.119%0.18726%0.258CS..Hα-helixtrans-73.8-40.8174.1-71.8174.5-165.300112.3R779 N823 L824 L825 L829 S830R779-E827 IonicContact CZ-OE1 2.97Å; R779-E827 IonicContact CZ-OE2 2.69Å; R779-E827 IonicContact NE-OE1 2.8Å; R779-E827 IonicContact NE-OE2 3.81Å; R779-E827 PolarHBondContact NE-OE2 3.04Å; R779-E827 VanDerWaalsContact NH2-CD 3.31Å; R779-E827 IonicContact NH2-OE1 2.9Å; R779-E827 PolarHBondContact NH2-OE1 3.4Å; R779-E827 IonicContact NH2-OE2 2.66Å; R779-E827 PolarHBondContact NH2-OE2 3.31Å; N823-E827 PolarHBondContact O-N 2.89Å; N823-E827 VanDerWaalsContact O-N 3.1Å; L824-E827 PolarHBondContact O-N 3.13Å; L825-E827 VanDerWaalsContact C-N 3.29Å; L825-E827 PolarHBondContact O-N 3.23Å; E827-L829 VanDerWaalsContact C-N 3.32Å; E827-L829 PolarHBondContact O-N 3.23Å; E827-S830 VanDerWaalsContact O-CB 3.27Å; E827-S830 WeakPolarHBondContact O-CB 3.25Å; E827-S830 PolarHBondContact O-N 2.7Å; E827-S830 VanDerWaalsContact O-N 3.14Å; E827-S830 PolarHBondContact O-OG 3.37Å
828L73.9Confident67.3Low1 Ų144.5 Ų44.51%0.00524%0.243CC..Hα-helixtrans-60.3-40.6173.8-83.4163.9000112.2V808 M811 F815 L824 L825 S830 C831 F843V808-L828 HydrophobicContact CG1-CD2 3.92Å; M811-L828 HydrophobicContact CB-CD2 3.63Å; M811-L828 HydrophobicContact CB-CG 4.24Å; M811-L828 HydrophobicContact SD-CD2 4.33Å; F815-L828 HydrophobicContact CB-CD1 4.1Å; F815-L828 HydrophobicContact CG-CD1 4.3Å; L824-L828 HydrophobicContact CD2-CD1 4.12Å; L824-L828 WeakPolarHBondContact O-CB 3.31Å; L824-L828 WeakPolarHBondContact O-CG 3.44Å; L824-L828 PolarHBondContact O-N 3.38Å; L825-L828 PolarHBondContact O-N 3.27Å; L828-S830 PolarHBondContact O-N 3.09Å; L828-C831 VanDerWaalsContact O-CB 3.31Å; L828-C831 WeakPolarHBondContact O-CB 3.16Å; L828-C831 PolarHBondContact O-N 3.27Å; L828-C831 VanDerWaalsContact O-N 3.09Å; L828-C831 PolarHBondContact O-SG 3.27Å; L828-F843 HydrophobicContact CB-CE1 4.19Å; L828-F843 HydrophobicContact CB-CE2 4.28Å; L828-F843 HydrophobicContact CB-CZ 3.61Å; L828-F843 HydrophobicContact CD1-CE2 4.49Å; L828-F843 HydrophobicContact CG-CZ 4.49Å
829L69.9Low67.2Low0 Ų046.8 Ų46.80%026%0.255CS..Hα-helixtrans-63.6-21.3177.9-74.7166.2000113.1L825 M826 E827 C831 L832 N833 F843 L847 T880 L884 V888L825-L829 HydrophobicContact CG-CD1 4.02Å; L825-L829 HydrophobicContact CG-CG 4.48Å; L825-L829 WeakPolarHBondContact O-CB 3.21Å; L825-L829 WeakPolarHBondContact O-CD1 3.38Å; L825-L829 WeakPolarHBondContact O-CG 3.37Å; L825-L829 PolarHBondContact O-N 2.95Å; M826-L829 HydrophobicContact SD-CD1 4.45Å; E827-L829 VanDerWaalsContact C-N 3.32Å; E827-L829 PolarHBondContact O-N 3.23Å; L829-C831 PolarHBondContact O-N 3.16Å; L829-L832 HydrophobicContact CD2-CD1 4.23Å; L829-L832 PolarHBondContact O-N 3.48Å; L829-N833 PolarHBondContact O-ND2 3.47Å; L829-F843 HydrophobicContact CD2-CE1 4.31Å; L829-L847 HydrophobicContact CD2-CD1 3.79Å; L829-T880 HydrophobicContact CB-CG2 3.65Å; L829-L884 HydrophobicContact CD1-CB 3.9Å; L829-L884 HydrophobicContact CD1-CD1 3.4Å; L829-L884 VanDerWaalsContact CD1-CD1 3.4Å; L829-L884 HydrophobicContact CD1-CG 4.27Å; L829-V888 HydrophobicContact CD2-CG2 4.26Å
830S73.4Confident67.4Low30 Ų3044.3 Ų44.321%0.2124%0.238CC..G310 helixtrans-60.7-25.5173.973.20000112.5W782 E827 L828 L832 N833 S834W782-S830 PolarHBondContact NE1-OG 3.36Å; E827-S830 VanDerWaalsContact O-CB 3.27Å; E827-S830 WeakPolarHBondContact O-CB 3.25Å; E827-S830 PolarHBondContact O-N 2.7Å; E827-S830 VanDerWaalsContact O-N 3.14Å; E827-S830 PolarHBondContact O-OG 3.37Å; L828-S830 PolarHBondContact O-N 3.09Å; S830-L832 PolarHBondContact O-N 3.36Å; S830-N833 PolarHBondContact O-N 2.98Å; S830-S834 PolarHBondContact O-N 3.48Å; S830-S834 PolarHBondContact O-OG 3.35Å
831C71.5Confident68Low1 Ų144.6 Ų44.61%0.00723%0.23CC..G310 helixtrans-61.7-26.3178.688.70000113.5W782 V808 L828 L829 N833 S834 F840W782-C831 HydrophobicContact CH2-CB 3.85Å; W782-C831 HydrophobicContact CZ2-CB 3.46Å; W782-C831 VanDerWaalsContact CZ2-CB 3.46Å; V808-C831 HydrophobicContact CG2-CB 3.93Å; L828-C831 VanDerWaalsContact O-CB 3.31Å; L828-C831 WeakPolarHBondContact O-CB 3.16Å; L828-C831 PolarHBondContact O-N 3.27Å; L828-C831 VanDerWaalsContact O-N 3.09Å; L828-C831 PolarHBondContact O-SG 3.27Å; L829-C831 PolarHBondContact O-N 3.16Å; C831-N833 VanDerWaalsContact C-N 3.35Å; C831-S834 PolarHBondContact O-OG 3.08Å; C831-F840 HydrophobicContact CB-CE1 4.42Å; C831-F840 HydrophobicContact CB-CZ 4.42Å
832L66.8Low68.3Low31 Ų3144.2 Ų44.216%0.16223%0.225CC..G310 helixtrans-83.6-13.1179.5-63.1176.1000112.6L829 S830 F840 F843 R844 T883 E887L829-L832 HydrophobicContact CD2-CD1 4.23Å; L829-L832 PolarHBondContact O-N 3.48Å; S830-L832 PolarHBondContact O-N 3.36Å; L832-F840 HydrophobicContact CD2-CB 4.29Å; L832-F843 HydrophobicContact CD1-CD1 4.45Å; L832-F843 HydrophobicContact CD1-CE1 4.47Å; L832-F843 HydrophobicContact CG-CD1 4.45Å; L832-R844 HydrophobicContact CD2-CG 4.17Å; L832-T883 HydrophobicContact CB-CG2 3.98Å; L832-T883 HydrophobicContact CD1-CG2 4.4Å; L832-E887 HydrophobicContact CD1-CG 4.34Å
833N63.8Low68.7Low57 Ų5742.6 Ų42.631%0.30522%0.216SC..THydrogen-bonded Turntrans-102.6-21.4-178.3-60.1-43.8000113.2L829 S830 C831 N879 T880 T883L829-N833 PolarHBondContact O-ND2 3.47Å; S830-N833 PolarHBondContact O-N 2.98Å; C831-N833 VanDerWaalsContact C-N 3.35Å; N833-N879 HydrophobicContact CB-CB 4.14Å; N833-N879 VanDerWaalsContact ND2-C 3.25Å; N833-N879 PolarHBondContact ND2-O 3.47Å; N833-N879 PolarHBondContact OD1-O 3.38Å; N833-T880 WeakPolarHBondContact ND2-CA 3.34Å; N833-T880 PolarHBondContact ND2-N 2.96Å; N833-T883 PolarHBondContact ND2-OG1 2.92Å; N833-T883 WeakPolarHBondContact OD1-CG2 3.3Å; N833-T883 PolarHBondContact OD1-OG1 3.45Å
834S62.1Low69Low32 Ų3242 Ų4222%0.22421%0.207CC..SBendtrans-83.6135.9176.1460000112.1S830 C831 F836S830-S834 PolarHBondContact O-N 3.48Å; S830-S834 PolarHBondContact O-OG 3.35Å; C831-S834 PolarHBondContact O-OG 3.08Å; S834-F836 VanDerWaalsContact C-N 3.34Å; S834-F836 PolarHBondContact O-N 3.27Å; S834-F836 WeakPolarHBondContact OG-CD2 2.77Å; S834-F836 WeakPolarHBondContact OG-CE2 3.38Å
835K60.5Low69.3Low180 Ų18046.2 Ų46.278%0.78323%0.226SC*.  trans-7174.9179.9-69.2-175.4178.7-178.30112.5G792G792-K835 WeakPolarHBondContact CA-O 3.4Å
836F60Low69.4Low26 Ų2647.1 Ų47.111%0.11423%0.23CC..  trans-105137.4171.3-61-63.7000110.6W782 F787 P804 S834 C838 F840W782-F836 HydrophobicContact CH2-CD2 4.43Å; W782-F836 AromaticContact CH2-CE2 3.89Å; W782-F836 HydrophobicContact CH2-CE2 3.89Å; W782-F836 HydrophobicContact CZ2-CE2 4.26Å; W782-F836 HydrophobicContact CZ3-CE2 4.49Å; F787-F836 HydrophobicContact CD1-CZ 4.15Å; F787-F836 HydrophobicContact CE1-CE1 4.32Å; F787-F836 AromaticContact CE1-CZ 3.93Å; F787-F836 HydrophobicContact CE1-CZ 3.93Å; P804-F836 HydrophobicContact CB-CG 4.38Å; P804-F836 HydrophobicContact CG-CD1 4.14Å; P804-F836 HydrophobicContact CG-CG 4.41Å; S834-F836 VanDerWaalsContact C-N 3.34Å; S834-F836 PolarHBondContact O-N 3.27Å; S834-F836 WeakPolarHBondContact OG-CD2 2.77Å; S834-F836 WeakPolarHBondContact OG-CE2 3.38Å; F836-C838 PolarHBondContact O-N 3.36Å; F836-C838 VanDerWaalsContact O-N 3.09Å; F836-F840 HydrophobicContact CB-CE2 4.01Å; F836-F840 HydrophobicContact CB-CZ 4.35Å; F836-F840 HydrophobicContact CD2-CE2 4.38Å; F836-F840 HydrophobicContact CD2-CZ 4.34Å
837L55Low69.5Low101 Ų10145.9 Ų45.953%0.52922%0.224SC..  trans-68.5-0.7177.9-83.2152000114.2W801W801-L837 HydrophobicContact CD2-CB 4.29Å; W801-L837 HydrophobicContact CE3-CB 4.16Å; W801-L837 HydrophobicContact CH2-CD1 4.28Å; W801-L837 HydrophobicContact CH2-CD2 4.39Å; W801-L837 HydrophobicContact CZ2-CD1 3.99Å; W801-L837 HydrophobicContact CZ3-CB 4.42Å; W801-L837 HydrophobicContact CZ3-CD2 4.44Å
838C64.8Low69.4Low17 Ų1749 Ų4912%0.11523%0.234CC..SBendtrans-82.5134.6-171.7-410000112.2W801 F836 F840W801-C838 PolarHBondContact O-SG 2.64Å; F836-C838 PolarHBondContact O-N 3.36Å; F836-C838 VanDerWaalsContact O-N 3.09Å; C838-F840 HydrophobicContact CB-CE2 3.99Å; C838-F840 HydrophobicContact CB-CZ 3.98Å; C838-F840 WeakPolarHBondContact O-CD2 3.43Å; C838-F840 PolarHBondContact O-N 2.93Å; C838-F840 VanDerWaalsContact O-N 3.13Å
839N67.8Low69.3Low105 Ų10554.3 Ų54.356%0.56126%0.258SS*.  trans-74.1106172.8-171.3-8.3000111.7E841N839-E841 WeakPolarHBondContact OD1-CB 3.37Å; N839-E841 PolarHBondContact OD1-N 3.41Å
840F72Confident69.3Low16 Ų1658.5 Ų58.57%0.0728%0.278CS..  trans-91.117.4174.5-62.1-75.3000114.1P804 V808 C831 L832 F836 C838 F842 F843 R844P804-F840 HydrophobicContact CB-CZ 4.01Å; V808-F840 HydrophobicContact CB-CE1 4.22Å; V808-F840 HydrophobicContact CG1-CD1 4.49Å; V808-F840 HydrophobicContact CG2-CD1 4.31Å; V808-F840 HydrophobicContact CG2-CE1 3.72Å; C831-F840 HydrophobicContact CB-CE1 4.42Å; C831-F840 HydrophobicContact CB-CZ 4.42Å; L832-F840 HydrophobicContact CD2-CB 4.29Å; F836-F840 HydrophobicContact CB-CE2 4.01Å; F836-F840 HydrophobicContact CB-CZ 4.35Å; F836-F840 HydrophobicContact CD2-CE2 4.38Å; F836-F840 HydrophobicContact CD2-CZ 4.34Å; C838-F840 HydrophobicContact CB-CE2 3.99Å; C838-F840 HydrophobicContact CB-CZ 3.98Å; C838-F840 WeakPolarHBondContact O-CD2 3.43Å; C838-F840 PolarHBondContact O-N 2.93Å; C838-F840 VanDerWaalsContact O-N 3.13Å; F840-F842 HydrophobicContact CD1-CE1 4.04Å; F840-F842 HydrophobicContact CD1-CZ 4.48Å; F840-F842 PolarHBondContact O-N 2.85Å; F840-F843 WeakPolarHBondContact O-CB 3.23Å; F840-F843 PolarHBondContact O-N 3.13Å; F840-R844 PolarHBondContact O-N 2.99Å
841E75.5Confident69.2Low89 Ų8957.6 Ų57.642%0.41627%0.271SS..Hα-helixtrans-55.4-29.8-179.8-149.465.3-159.300112.5N839 F843 R844 H845N839-E841 WeakPolarHBondContact OD1-CB 3.37Å; N839-E841 PolarHBondContact OD1-N 3.41Å; E841-F843 PolarHBondContact O-N 2.76Å; E841-R844 PolarHBondContact O-N 3.29Å; E841-R844 IonicContact OE2-NH1 2.97Å; E841-H845 VanDerWaalsContact O-CB 3.25Å; E841-H845 WeakPolarHBondContact O-CB 3.48Å; E841-H845 PolarHBondContact O-N 3.49Å
842F75.8Confident68.9Low50 Ų5057.6 Ų57.622%0.21927%0.271CS..Hα-helixtrans-60-33.8174.678.5-85.3000112.8K805 V808 K809 F840 Y846K805-F842 HydrophobicContact CD-CE1 4.39Å; K805-F842 HydrophobicContact CG-CD1 4.48Å; K805-F842 HydrophobicContact CG-CE1 3.8Å; K805-F842 HydrophobicContact CG-CZ 4.44Å; V808-F842 HydrophobicContact CB-CZ 4.19Å; V808-F842 HydrophobicContact CG1-CE2 4.25Å; V808-F842 HydrophobicContact CG1-CZ 3.74Å; K809-F842 HydrophobicContact CD-CE2 4.5Å; K809-F842 HydrophobicContact CG-CD2 4.24Å; K809-F842 HydrophobicContact CG-CE1 4.46Å; K809-F842 HydrophobicContact CG-CE2 3.51Å; K809-F842 HydrophobicContact CG-CZ 3.63Å; F840-F842 HydrophobicContact CD1-CE1 4.04Å; F840-F842 HydrophobicContact CD1-CZ 4.48Å; F840-F842 PolarHBondContact O-N 2.85Å; F842-Y846 WeakPolarHBondContact O-CB 3.5Å; F842-Y846 PolarHBondContact O-N 3.36Å
843F75.9Confident69.1Low0 Ų059.9 Ų59.90%028%0.283CS..Hα-helixtrans-79.8-39.5176.4-176-131000110.7L812 L828 L829 L832 F840 E841 Y846 L847L812-F843 HydrophobicContact CD1-CD2 3.23Å; L812-F843 HydrophobicContact CD1-CE2 3.53Å; L812-F843 HydrophobicContact CD1-CG 4.36Å; L828-F843 HydrophobicContact CB-CE1 4.19Å; L828-F843 HydrophobicContact CB-CE2 4.28Å; L828-F843 HydrophobicContact CB-CZ 3.61Å; L828-F843 HydrophobicContact CD1-CE2 4.49Å; L828-F843 HydrophobicContact CG-CZ 4.49Å; L829-F843 HydrophobicContact CD2-CE1 4.31Å; L832-F843 HydrophobicContact CD1-CD1 4.45Å; L832-F843 HydrophobicContact CD1-CE1 4.47Å; L832-F843 HydrophobicContact CG-CD1 4.45Å; F840-F843 WeakPolarHBondContact O-CB 3.23Å; F840-F843 PolarHBondContact O-N 3.13Å; E841-F843 PolarHBondContact O-N 2.76Å; F843-Y846 HydrophobicContact CD2-CD1 4.4Å; F843-Y846 HydrophobicContact CE2-CD1 4.44Å; F843-Y846 WeakPolarHBondContact O-CB 3.33Å; F843-Y846 PolarHBondContact O-N 3.23Å; F843-L847 HydrophobicContact CD1-CD1 4.12Å; F843-L847 HydrophobicContact CD2-CD1 4.43Å; F843-L847 HydrophobicContact CD2-CG 4.28Å; F843-L847 HydrophobicContact CE1-CD1 3.77Å; F843-L847 HydrophobicContact CE2-CD1 4.14Å; F843-L847 HydrophobicContact CE2-CD2 4.01Å; F843-L847 HydrophobicContact CE2-CG 4.03Å; F843-L847 HydrophobicContact CG-CD1 4.44Å; F843-L847 HydrophobicContact CZ-CD1 3.78Å; F843-L847 HydrophobicContact CZ-CD2 4.12Å; F843-L847 HydrophobicContact CZ-CG 4.15Å; F843-L847 VanDerWaalsContact O-CG 3.27Å; F843-L847 WeakPolarHBondContact O-CG 3.45Å; F843-L847 PolarHBondContact O-N 3.49Å
844R74.6Confident69.4Low74 Ų7462.5 Ų62.528%0.27930%0.301SS..Hα-helixtrans-62.3-42.1173.1-76.8-173.8179.3164.6-0.1112.9L832 F840 E841 L847 R848L832-R844 HydrophobicContact CD2-CG 4.17Å; F840-R844 PolarHBondContact O-N 2.99Å; E841-R844 PolarHBondContact O-N 3.29Å; E841-R844 IonicContact OE2-NH1 2.97Å; R844-L847 PolarHBondContact O-N 3.48Å; R844-R848 WeakPolarHBondContact O-CB 3.42Å; R844-R848 WeakPolarHBondContact O-CG 3.36Å; R844-R848 PolarHBondContact O-N 2.88Å
845H76.7Confident69.5Low93 Ų9361.8 Ų61.843%0.43130%0.299SS..Hα-helixtrans-66-41.7176.8-175.376.2000111.1E841 L847 R848 E849E841-H845 VanDerWaalsContact O-CB 3.25Å; E841-H845 WeakPolarHBondContact O-CB 3.48Å; E841-H845 PolarHBondContact O-N 3.49Å; H845-L847 VanDerWaalsContact C-N 3.34Å; H845-L847 PolarHBondContact O-N 3.03Å; H845-R848 PolarHBondContact O-N 3.18Å; H845-E849 IonicContact CE1-OE1 2.8Å; H845-E849 PolarHBondContact CE1-OE1 3.04Å; H845-E849 IonicContact CE1-OE2 3.87Å; H845-E849 PolarHBondContact CE1-OE2 3.18Å; H845-E849 IonicContact ND1-OE1 2.7Å; H845-E849 PolarHBondContact ND1-OE1 3.42Å; H845-E849 IonicContact ND1-OE2 3.71Å; H845-E849 PolarHBondContact ND1-OE2 3.42Å; H845-E849 IonicContact NE2-OE2 3.3Å; H845-E849 WeakPolarHBondContact O-CB 3.27Å; H845-E849 PolarHBondContact O-N 3.44Å
846Y76.3Confident70.1Confident20 Ų2056.5 Ų56.58%0.07829%0.285CS..Iπ-helixtrans-56-46.9170.2177.9-104.6000112.2L812 F815 R816 F842 F843 E850 L851L812-Y846 HydrophobicContact CD1-CD1 3.93Å; L812-Y846 HydrophobicContact CD1-CE1 4.32Å; L812-Y846 HydrophobicContact CD1-CG 4.38Å; F815-Y846 HydrophobicContact CD1-CE1 4.33Å; R816-Y846 HydrophobicContact CG-CE2 3.97Å; F842-Y846 WeakPolarHBondContact O-CB 3.5Å; F842-Y846 PolarHBondContact O-N 3.36Å; F843-Y846 HydrophobicContact CD2-CD1 4.4Å; F843-Y846 HydrophobicContact CE2-CD1 4.44Å; F843-Y846 WeakPolarHBondContact O-CB 3.33Å; F843-Y846 PolarHBondContact O-N 3.23Å; Y846-E850 HydrophobicContact CD2-CB 4.07Å; Y846-E850 WeakPolarHBondContact CD2-OE2 3.15Å; Y846-E850 HydrophobicContact CE2-CB 4.35Å; Y846-E850 WeakPolarHBondContact CE2-OE2 3.42Å; Y846-E850 PolarHBondContact O-N 2.83Å; Y846-L851 HydrophobicContact CE1-CD1 3.87Å; Y846-L851 WeakPolarHBondContact O-CB 3.49Å; Y846-L851 PolarHBondContact O-N 3.42Å
847L71.7Confident70.6Confident0 Ų056.8 Ų56.80%029%0.288CS..Iπ-helixtrans-68.6-42.8-179.9-66.3174.4000113.1L825 L829 F843 R844 H845 L851 A852 V888L825-L847 HydrophobicContact CD1-CD2 3.97Å; L829-L847 HydrophobicContact CD2-CD1 3.79Å; F843-L847 HydrophobicContact CD1-CD1 4.12Å; F843-L847 HydrophobicContact CD2-CD1 4.43Å; F843-L847 HydrophobicContact CD2-CG 4.28Å; F843-L847 HydrophobicContact CE1-CD1 3.77Å; F843-L847 HydrophobicContact CE2-CD1 4.14Å; F843-L847 HydrophobicContact CE2-CD2 4.01Å; F843-L847 HydrophobicContact CE2-CG 4.03Å; F843-L847 HydrophobicContact CG-CD1 4.44Å; F843-L847 HydrophobicContact CZ-CD1 3.78Å; F843-L847 HydrophobicContact CZ-CD2 4.12Å; F843-L847 HydrophobicContact CZ-CG 4.15Å; F843-L847 VanDerWaalsContact O-CG 3.27Å; F843-L847 WeakPolarHBondContact O-CG 3.45Å; F843-L847 PolarHBondContact O-N 3.49Å; R844-L847 PolarHBondContact O-N 3.48Å; H845-L847 VanDerWaalsContact C-N 3.34Å; H845-L847 PolarHBondContact O-N 3.03Å; L847-L851 HydrophobicContact CD2-CD2 3.99Å; L847-A852 PolarHBondContact O-N 3.26Å; L847-V888 HydrophobicContact CD1-CG2 4.24Å; L847-V888 HydrophobicContact CD2-CG2 4.03Å
848R69Low71.4Confident107 Ų10759.4 Ų59.440%0.40430%0.298SS..Iπ-helixtrans-83.4-36.4-173.7-70.1-179.9-175.7177.3-1.7114.4R844 H845 A852 E887R844-R848 WeakPolarHBondContact O-CB 3.42Å; R844-R848 WeakPolarHBondContact O-CG 3.36Å; R844-R848 PolarHBondContact O-N 2.88Å; H845-R848 PolarHBondContact O-N 3.18Å; R848-A852 WeakPolarHBondContact O-CB 3.24Å; R848-E887 IonicContact CZ-OE2 3.33Å; R848-E887 VanDerWaalsContact CZ-OE2 3.23Å; R848-E887 IonicContact NE-OE2 2.61Å; R848-E887 PolarHBondContact NE-OE2 2.93Å; R848-E887 IonicContact NH2-OE1 3.43Å; R848-E887 PolarHBondContact NH2-OE1 3.21Å; R848-E887 IonicContact NH2-OE2 3.26Å; R848-E887 PolarHBondContact NH2-OE2 3.26Å
849E71.5Confident72.1Confident111 Ų11160.7 Ų60.752%0.51930%0.3SS..Iπ-helixtrans-107.3-44.2-173.4-71.2-175-142.700113.5H845 N853H845-E849 IonicContact CE1-OE1 2.8Å; H845-E849 PolarHBondContact CE1-OE1 3.04Å; H845-E849 IonicContact CE1-OE2 3.87Å; H845-E849 PolarHBondContact CE1-OE2 3.18Å; H845-E849 IonicContact ND1-OE1 2.7Å; H845-E849 PolarHBondContact ND1-OE1 3.42Å; H845-E849 IonicContact ND1-OE2 3.71Å; H845-E849 PolarHBondContact ND1-OE2 3.42Å; H845-E849 IonicContact NE2-OE2 3.3Å; H845-E849 WeakPolarHBondContact O-CB 3.27Å; H845-E849 PolarHBondContact O-N 3.44Å; E849-N853 VanDerWaalsContact O-CB 3.3Å; E849-N853 WeakPolarHBondContact O-CB 3.14Å; E849-N853 PolarHBondContact O-ND2 3.17Å
850E71.1Confident72.5Confident89 Ų8956 Ų5642%0.41628%0.275SS..Iπ-helixtrans-82-56.6179.4-81.7-176.717700111.1R816 Y846 N853 T854R816-E850 IonicContact CZ-OE2 2.68Å; R816-E850 IonicContact NH2-OE1 3.58Å; R816-E850 IonicContact NH2-OE2 3.64Å; R816-E850 PolarHBondContact NH2-OE2 3.01Å; Y846-E850 HydrophobicContact CD2-CB 4.07Å; Y846-E850 WeakPolarHBondContact CD2-OE2 3.15Å; Y846-E850 HydrophobicContact CE2-CB 4.35Å; Y846-E850 WeakPolarHBondContact CE2-OE2 3.42Å; Y846-E850 PolarHBondContact O-N 2.83Å; E850-N853 PolarHBondContact O-N 3.4Å; E850-T854 WeakPolarHBondContact O-CB 3.34Å; E850-T854 VanDerWaalsContact O-CG2 3.29Å; E850-T854 WeakPolarHBondContact O-CG2 3.45Å; E850-T854 PolarHBondContact O-N 3.5Å; E850-T854 PolarHBondContact O-OG1 2.72Å
851L70.3Confident72.6Confident11 Ų1157 Ų576%0.05828%0.278CS..Iπ-helixtrans-68.9-41.4-172.5-156.588.1000112.6F815 Y846 L847 N853 G855 W859 V888F815-L851 HydrophobicContact CE1-CD1 4.36Å; Y846-L851 HydrophobicContact CE1-CD1 3.87Å; Y846-L851 WeakPolarHBondContact O-CB 3.49Å; Y846-L851 PolarHBondContact O-N 3.42Å; L847-L851 HydrophobicContact CD2-CD2 3.99Å; L851-N853 VanDerWaalsContact C-N 3.3Å; L851-N853 PolarHBondContact O-N 3.05Å; L851-G855 PolarHBondContact O-N 3.39Å; L851-W859 HydrophobicContact CD2-CH2 3.48Å; L851-W859 VanDerWaalsContact CD2-CH2 3.48Å; L851-W859 HydrophobicContact CD2-CZ2 4.11Å; L851-W859 HydrophobicContact CD2-CZ3 4.35Å; L851-W859 HydrophobicContact CG-CH2 3.91Å; L851-W859 HydrophobicContact CG-CZ3 4.46Å; L851-V888 HydrophobicContact CD2-CG1 4.25Å
852A66.2Low72.5Confident0 Ų055.8 Ų55.80%028%0.28CS..Hα-helixtrans-65.8-32.4179.700000112.9L847 R848 K860L847-A852 PolarHBondContact O-N 3.26Å; R848-A852 WeakPolarHBondContact O-CB 3.24Å; A852-K860 PolarHBondContact O-NZ 2.94Å
853N71.2Confident72.4Confident79 Ų7953.6 Ų53.642%0.42227%0.27SS..Hα-helixtrans-84.6-34.3178.7-77.5-37.6000113.6E849 E850 L851 V895E849-N853 VanDerWaalsContact O-CB 3.3Å; E849-N853 WeakPolarHBondContact O-CB 3.14Å; E849-N853 PolarHBondContact O-ND2 3.17Å; E850-N853 PolarHBondContact O-N 3.4Å; L851-N853 VanDerWaalsContact C-N 3.3Å; L851-N853 PolarHBondContact O-N 3.05Å; N853-V895 WeakPolarHBondContact OD1-CG1 3.36Å
854T68.9Low72.4Confident113 Ų11353.7 Ų53.769%0.69327%0.271SS*.Hα-helixtrans-91.9-21.5-174.2560000114.4E850E850-T854 WeakPolarHBondContact O-CB 3.34Å; E850-T854 VanDerWaalsContact O-CG2 3.29Å; E850-T854 WeakPolarHBondContact O-CG2 3.45Å; E850-T854 PolarHBondContact O-N 3.5Å; E850-T854 PolarHBondContact O-OG1 2.72Å
855G65.2Low72.4Confident16 Ų1652.5 Ų52.517%0.16527%0.268CS..SBendtrans-69.2130.1-178.200000113.7L851 K860L851-G855 PolarHBondContact O-N 3.39Å; G855-K860 WeakPolarHBondContact O-CE 3.15Å; G855-K860 PolarHBondContact O-NZ 3.45Å
856S72Confident72Confident70 Ų7055 Ų5549%0.4927%0.273SS..  trans-64.3154.5176.871.30000112.4E858 W859 K860S856-E858 PolarHBondContact O-N 3.48Å; S856-W859 PolarHBondContact O-N 3.37Å; S856-W859 VanDerWaalsContact O-N 3.12Å; S856-W859 WeakPolarHBondContact OG-CB 3.44Å; S856-W859 PolarHBondContact OG-N 2.98Å; S856-K860 PolarHBondContact O-N 3.49Å
857V72Confident71.8Confident31 Ų3154.2 Ų54.219%0.18827%0.27CS..Hα-helixtrans-57.5-37.9179.1-179.50000111.2K860 R861 L905V857-K860 PolarHBondContact O-N 3.36Å; V857-R861 WeakPolarHBondContact O-CG 3.39Å; V857-R861 PolarHBondContact O-N 3.38Å; V857-L905 HydrophobicContact CG1-CB 4.44Å; V857-L905 HydrophobicContact CG1-CD1 4.35Å
858E71Confident71.6Confident157 Ų15755.8 Ų55.873%0.73428%0.279SS*.Hα-helixtrans-67.3-37.4176.8-64.4-179.6173.700113.2S856 R861 S862S856-E858 PolarHBondContact O-N 3.48Å; E858-R861 PolarHBondContact O-N 2.86Å; E858-S862 PolarHBondContact O-N 2.9Å; E858-S862 PolarHBondContact O-OG 2.61Å
859W78.5Confident71.6Confident43 Ų4357.9 Ų57.916%0.16329%0.293CS..Hα-helixtrans-67.5-41.1174.417988.4000111.5L851 S856 R861 S862 L863 V888L851-W859 HydrophobicContact CD2-CH2 3.48Å; L851-W859 VanDerWaalsContact CD2-CH2 3.48Å; L851-W859 HydrophobicContact CD2-CZ2 4.11Å; L851-W859 HydrophobicContact CD2-CZ3 4.35Å; L851-W859 HydrophobicContact CG-CH2 3.91Å; L851-W859 HydrophobicContact CG-CZ3 4.46Å; S856-W859 PolarHBondContact O-N 3.37Å; S856-W859 VanDerWaalsContact O-N 3.12Å; S856-W859 WeakPolarHBondContact OG-CB 3.44Å; S856-W859 PolarHBondContact OG-N 2.98Å; W859-R861 VanDerWaalsContact C-N 3.33Å; W859-R861 PolarHBondContact O-N 3.23Å; W859-S862 WeakPolarHBondContact CA-OG 3.39Å; W859-S862 PolarHBondContact O-N 3.42Å; W859-S862 PolarHBondContact O-OG 2.84Å; W859-L863 HydrophobicContact CH2-CD1 4.29Å; W859-L863 HydrophobicContact CH2-CD2 4.39Å; W859-L863 HydrophobicContact CZ2-CD1 4.08Å; W859-L863 WeakPolarHBondContact O-CB 3.27Å; W859-L863 PolarHBondContact O-N 2.99Å; W859-V888 HydrophobicContact CH2-CG1 4.45Å
860K77.2Confident71.2Confident6 Ų655 Ų553%0.02628%0.284CS..Hα-helixtrans-62.1-39.1174.6-67.9171.4178.5168.90111.8A852 G855 S856 V857 F864 S896 L905A852-K860 PolarHBondContact O-NZ 2.94Å; G855-K860 WeakPolarHBondContact O-CE 3.15Å; G855-K860 PolarHBondContact O-NZ 3.45Å; S856-K860 PolarHBondContact O-N 3.49Å; V857-K860 PolarHBondContact O-N 3.36Å; K860-F864 PolarHBondContact O-N 3.06Å; K860-S896 PolarHBondContact NZ-OG 2.91Å; K860-L905 HydrophobicContact CB-CD1 4.26Å; K860-L905 HydrophobicContact CD-CD1 4.27Å
861R74.8Confident70.7Confident37 Ų3753 Ų5314%0.1427%0.273CS..Hα-helixtrans-65.6-48.8174.4-73.4179.26491.2-3.2111.7V857 E858 W859 L863 F864 F865 L905 I906 S918 I920V857-R861 WeakPolarHBondContact O-CG 3.39Å; V857-R861 PolarHBondContact O-N 3.38Å; E858-R861 PolarHBondContact O-N 2.86Å; W859-R861 VanDerWaalsContact C-N 3.33Å; W859-R861 PolarHBondContact O-N 3.23Å; R861-L863 VanDerWaalsContact C-N 3.3Å; R861-L863 PolarHBondContact O-N 3.48Å; R861-F864 PolarHBondContact O-N 3.5Å; R861-F864 VanDerWaalsContact O-N 3.16Å; R861-F865 WeakPolarHBondContact O-CD2 3.2Å; R861-F865 PolarHBondContact O-N 3.33Å; R861-L905 PolarHBondContact NH1-O 2.88Å; R861-I906 PolarHBondContact NH1-O 3.38Å; R861-I906 VanDerWaalsContact NH1-O 3.08Å; R861-S918 PolarHBondContact NH2-O 3.35Å; R861-I920 HydrophobicContact CG-CD1 4.22Å
862S73.3Confident70.2Confident64 Ų6455 Ų5545%0.44829%0.288SS..Hα-helixtrans-64-34.918061.30000112.5E858 W859 R866E858-S862 PolarHBondContact O-N 2.9Å; E858-S862 PolarHBondContact O-OG 2.61Å; W859-S862 WeakPolarHBondContact CA-OG 3.39Å; W859-S862 PolarHBondContact O-N 3.42Å; W859-S862 PolarHBondContact O-OG 2.84Å; S862-R866 VanDerWaalsContact O-CB 3.25Å; S862-R866 WeakPolarHBondContact O-CB 3.4Å; S862-R866 PolarHBondContact O-N 3Å
863L73.8Confident69.5Low5 Ų558.3 Ų58.33%0.02631%0.31CS..Hα-helixtrans-61.3-44172-164.590.9000112.2V822 L825 W859 R861 R866 F867 V888 I889V822-L863 HydrophobicContact CG1-CD1 4.16Å; L825-L863 HydrophobicContact CD2-CD1 4.08Å; W859-L863 HydrophobicContact CH2-CD1 4.29Å; W859-L863 HydrophobicContact CH2-CD2 4.39Å; W859-L863 HydrophobicContact CZ2-CD1 4.08Å; W859-L863 WeakPolarHBondContact O-CB 3.27Å; W859-L863 PolarHBondContact O-N 2.99Å; R861-L863 VanDerWaalsContact C-N 3.3Å; R861-L863 PolarHBondContact O-N 3.48Å; L863-R866 PolarHBondContact O-N 2.82Å; L863-F867 WeakPolarHBondContact O-CB 3.48Å; L863-F867 PolarHBondContact O-N 3.33Å; L863-V888 HydrophobicContact CD2-CG1 3.72Å; L863-I889 HydrophobicContact CD2-CG1 3.83Å
864F75Confident68.5Low1 Ų161.4 Ų61.40%0.00433%0.326CS..Hα-helixtrans-66.8-44.7177.7-179.4-95.8000112.4K860 R861 R866 F867 L868 I889 F893 I920 F924K860-F864 PolarHBondContact O-N 3.06Å; R861-F864 PolarHBondContact O-N 3.5Å; R861-F864 VanDerWaalsContact O-N 3.16Å; F864-R866 VanDerWaalsContact C-N 3.33Å; F864-R866 PolarHBondContact O-N 3.4Å; F864-F867 WeakPolarHBondContact O-CB 3.42Å; F864-F867 PolarHBondContact O-N 3.36Å; F864-L868 HydrophobicContact CD1-CD1 3.92Å; F864-L868 HydrophobicContact CE1-CD1 3.4Å; F864-L868 HydrophobicContact CZ-CD1 4Å; F864-L868 PolarHBondContact O-N 2.95Å; F864-I889 HydrophobicContact CD2-CG2 4.36Å; F864-F893 HydrophobicContact CB-CZ 4.01Å; F864-F893 HydrophobicContact CD2-CE2 4.05Å; F864-F893 AromaticContact CD2-CZ 3.84Å; F864-F893 HydrophobicContact CD2-CZ 3.84Å; F864-F893 HydrophobicContact CE2-CE2 4.43Å; F864-F893 HydrophobicContact CG-CZ 4.04Å; F864-I920 HydrophobicContact CD1-CG1 4.31Å; F864-I920 HydrophobicContact CD1-CG2 4.02Å; F864-I920 HydrophobicContact CE1-CB 4.38Å; F864-I920 HydrophobicContact CE1-CG1 4.46Å; F864-I920 HydrophobicContact CE1-CG2 3.63Å; F864-I920 HydrophobicContact CE2-CG2 4.34Å; F864-I920 HydrophobicContact CZ-CG2 3.8Å; F864-F924 HydrophobicContact CZ-CB 4.45Å
865F75.1Confident67.7Low50 Ų5058.6 Ų58.622%0.21931%0.309CS..Hα-helixtrans-65.7-36.5175.2-74.8-67.3000111.7R861 L868 H869R861-F865 WeakPolarHBondContact O-CD2 3.2Å; R861-F865 PolarHBondContact O-N 3.33Å; F865-L868 HydrophobicContact CD1-CD1 4.36Å; F865-L868 VanDerWaalsContact O-CB 3.28Å; F865-L868 WeakPolarHBondContact O-CB 3.4Å; F865-L868 PolarHBondContact O-N 3.16Å; F865-H869 PolarHBondContact O-N 3.49Å; F865-H869 PolarHBondContact O-ND1 2.81Å
866R67.4Low67.1Low144 Ų14464.1 Ų64.154%0.54334%0.342SS..Hα-helixtrans-66.5-39.6174.8-161.873.4175-176.70.1112S862 L863 F864 L868 H869 S870S862-R866 VanDerWaalsContact O-CB 3.25Å; S862-R866 WeakPolarHBondContact O-CB 3.4Å; S862-R866 PolarHBondContact O-N 3Å; L863-R866 PolarHBondContact O-N 2.82Å; F864-R866 VanDerWaalsContact C-N 3.33Å; F864-R866 PolarHBondContact O-N 3.4Å; R866-L868 VanDerWaalsContact C-N 3.31Å; R866-L868 PolarHBondContact O-N 3.12Å; R866-H869 PolarHBondContact O-N 2.89Å; R866-S870 WeakPolarHBondContact O-CB 3.43Å; R866-S870 PolarHBondContact O-N 3.06Å; R866-S870 PolarHBondContact O-OG 3.44Å
867F71.6Confident66.3Low5 Ų567.1 Ų67.12%0.02235%0.346CS..Hα-helixtrans-54.8-48170.8165.9-101.5000110.9L863 F864 H869 S870 W871 L881 L884 L885 I889 F928L863-F867 WeakPolarHBondContact O-CB 3.48Å; L863-F867 PolarHBondContact O-N 3.33Å; F864-F867 WeakPolarHBondContact O-CB 3.42Å; F864-F867 PolarHBondContact O-N 3.36Å; F867-H869 PolarHBondContact O-N 3.15Å; F867-S870 WeakPolarHBondContact CA-OG 3.46Å; F867-S870 PolarHBondContact O-N 2.9Å; F867-S870 PolarHBondContact O-OG 3.19Å; F867-W871 HydrophobicContact CE1-CE3 4.46Å; F867-W871 AromaticContact CE2-CE3 3.74Å; F867-W871 HydrophobicContact CE2-CE3 3.74Å; F867-W871 HydrophobicContact CE2-CZ3 4Å; F867-W871 HydrophobicContact CZ-CD2 4.49Å; F867-W871 AromaticContact CZ-CE3 3.61Å; F867-W871 HydrophobicContact CZ-CE3 3.61Å; F867-W871 AromaticContact CZ-CZ3 3.87Å; F867-W871 HydrophobicContact CZ-CZ3 3.87Å; F867-W871 PolarHBondContact O-N 2.93Å; F867-W871 VanDerWaalsContact O-N 3.1Å; F867-L881 HydrophobicContact CD2-CD2 3.89Å; F867-L881 HydrophobicContact CE2-CB 4.21Å; F867-L881 HydrophobicContact CE2-CD2 4.31Å; F867-L884 HydrophobicContact CB-CD2 4.08Å; F867-L884 HydrophobicContact CD2-CD2 3.99Å; F867-L884 HydrophobicContact CG-CD2 4.45Å; F867-L885 HydrophobicContact CE1-CD1 4.27Å; F867-L885 HydrophobicContact CZ-CD1 4.15Å; F867-I889 HydrophobicContact CB-CD1 4Å; F867-I889 HydrophobicContact CD1-CD1 4.4Å; F867-I889 HydrophobicContact CD2-CD1 4.34Å; F867-I889 HydrophobicContact CG-CD1 4Å; F867-F928 HydrophobicContact CE1-CE1 4.42Å; F867-F928 HydrophobicContact CE1-CE2 4.29Å; F867-F928 AromaticContact CE1-CZ 3.7Å; F867-F928 HydrophobicContact CE1-CZ 3.7Å; F867-F928 HydrophobicContact CZ-CZ 4.34Å
868L67.9Low65.8Low33 Ų3367.4 Ų67.417%0.17335%0.346CS..Hα-helixtrans-57.5-44.3174.4-100155.5000113.3F864 F865 R866 S870 W871 V923 S927 F928F864-L868 HydrophobicContact CD1-CD1 3.92Å; F864-L868 HydrophobicContact CE1-CD1 3.4Å; F864-L868 HydrophobicContact CZ-CD1 4Å; F864-L868 PolarHBondContact O-N 2.95Å; F865-L868 HydrophobicContact CD1-CD1 4.36Å; F865-L868 VanDerWaalsContact O-CB 3.28Å; F865-L868 WeakPolarHBondContact O-CB 3.4Å; F865-L868 PolarHBondContact O-N 3.16Å; R866-L868 VanDerWaalsContact C-N 3.31Å; R866-L868 PolarHBondContact O-N 3.12Å; L868-S870 VanDerWaalsContact C-N 3.33Å; L868-S870 PolarHBondContact O-N 3.43Å; L868-W871 WeakPolarHBondContact O-CB 3.48Å; L868-W871 PolarHBondContact O-N 3.24Å; L868-V923 HydrophobicContact CD1-CG1 3.61Å; L868-V923 HydrophobicContact CD2-CG1 4.28Å; L868-S927 WeakPolarHBondContact CD2-OG 3.21Å; L868-F928 HydrophobicContact CD2-CE2 3.72Å; L868-F928 HydrophobicContact CD2-CZ 4.19Å; L868-F928 HydrophobicContact CG-CE2 4.09Å
869H69.9Low65.6Low151 Ų15163.6 Ų63.670%0.69933%0.331SS*.Hα-helixtrans-70.9-28.6179.3-72.960.2000112.8F865 R866 F867F865-H869 PolarHBondContact O-N 3.49Å; F865-H869 PolarHBondContact O-ND1 2.81Å; R866-H869 PolarHBondContact O-N 2.89Å; F867-H869 PolarHBondContact O-N 3.15Å
870S62.5Low65.1Low49 Ų4962.3 Ų62.334%0.34333%0.327SS..Hα-helixtrans-87-3.6177.460.70000114.3R866 F867 L868 S872 L881R866-S870 WeakPolarHBondContact O-CB 3.43Å; R866-S870 PolarHBondContact O-N 3.06Å; R866-S870 PolarHBondContact O-OG 3.44Å; F867-S870 WeakPolarHBondContact CA-OG 3.46Å; F867-S870 PolarHBondContact O-N 2.9Å; F867-S870 PolarHBondContact O-OG 3.19Å; L868-S870 VanDerWaalsContact C-N 3.33Å; L868-S870 PolarHBondContact O-N 3.43Å; S870-S872 PolarHBondContact O-N 3.3Å; S870-L881 WeakPolarHBondContact OG-CD2 3.36Å
871W60.2Low64.7Low48 Ų4862.2 Ų62.218%0.18233%0.327CS..  trans-81.5105-177-174.1-94.7000111.4F867 L868 L881 F928 L941F867-W871 HydrophobicContact CE1-CE3 4.46Å; F867-W871 AromaticContact CE2-CE3 3.74Å; F867-W871 HydrophobicContact CE2-CE3 3.74Å; F867-W871 HydrophobicContact CE2-CZ3 4Å; F867-W871 HydrophobicContact CZ-CD2 4.49Å; F867-W871 AromaticContact CZ-CE3 3.61Å; F867-W871 HydrophobicContact CZ-CE3 3.61Å; F867-W871 AromaticContact CZ-CZ3 3.87Å; F867-W871 HydrophobicContact CZ-CZ3 3.87Å; F867-W871 PolarHBondContact O-N 2.93Å; F867-W871 VanDerWaalsContact O-N 3.1Å; L868-W871 WeakPolarHBondContact O-CB 3.48Å; L868-W871 PolarHBondContact O-N 3.24Å; W871-L881 HydrophobicContact CE3-CD1 4.49Å; W871-F928 AromaticContact CD1-CE1 3.84Å; W871-F928 AromaticContact CD2-CE1 3.77Å; W871-F928 HydrophobicContact CD2-CE1 3.77Å; W871-F928 HydrophobicContact CD2-CZ 4.24Å; W871-F928 AromaticContact CE2-CE1 3.62Å; W871-F928 HydrophobicContact CE3-CE1 4.4Å; W871-F928 AromaticContact CG-CE1 3.95Å; W871-F928 HydrophobicContact CG-CE1 3.95Å; W871-F928 HydrophobicContact CG-CZ 4.14Å; W871-F928 HydrophobicContact CZ2-CE1 4.2Å; W871-F928 AromaticContact NE1-CE1 3.61Å; W871-L941 HydrophobicContact CH2-CD1 3.57Å; W871-L941 HydrophobicContact CH2-CD2 3.43Å; W871-L941 VanDerWaalsContact CH2-CD2 3.43Å; W871-L941 HydrophobicContact CH2-CG 4.1Å; W871-L941 HydrophobicContact CZ2-CD2 3.92Å; W871-L941 HydrophobicContact CZ3-CD1 3.92Å
872S60.2Low64.5Low54 Ų5461 Ų6138%0.37832%0.323SS..  trans-134.7142.3167.6810000110.8S870 N874S870-S872 PolarHBondContact O-N 3.3Å; S872-N874 PolarHBondContact O-N 2.85Å
873P50.9Low64.5Low69 Ų6958 Ų5845%0.44830%0.302SS..THydrogen-bonded Turntrans-68.1-9.2-163.120.5-29.7000116.3
874N51Low64.6Low144 Ų14458 Ų5877%0.7730%0.302SS*.THydrogen-bonded Turntrans-133.143.4-169.4-75.7-21.4000115.3S872S872-N874 PolarHBondContact O-N 2.85Å
875T52Low64.6Low54 Ų5458 Ų5833%0.33130%0.302SS..  trans-120.5144.9177.758.50000114.1K877 M878T875-K877 PolarHBondContact O-N 3.48Å; T875-M878 PolarHBondContact O-N 3.32Å; T875-M878 VanDerWaalsContact O-N 3.12Å
876P52.7Low64.7Low132 Ų13260.1 Ų60.186%0.85731%0.309SS*.THydrogen-bonded Turntrans-63.1-8.6-179.624.9-34.3000114.1M878P876-M878 PolarHBondContact O-N 2.93Å
877K55.9Low65.1Low132 Ų13253.4 Ų53.457%0.57428%0.284SS*.THydrogen-bonded Turntrans-78-0.9174.5-64.7-176.5178.5-178.30113.6T875 N879 T880 L881T875-K877 PolarHBondContact O-N 3.48Å; K877-N879 PolarHBondContact O-N 3.33Å; K877-T880 CarbonylContact O-C 3.51Å; K877-T880 WeakPolarHBondContact O-CA 3.49Å; K877-T880 VanDerWaalsContact O-CB 3.31Å; K877-T880 WeakPolarHBondContact O-CB 3.42Å; K877-T880 PolarHBondContact O-N 2.94Å; K877-L881 PolarHBondContact O-N 3.1Å
878M61.6Low65.3Low38 Ų3853.2 Ų53.219%0.18728%0.283CS..Hα-helixtrans-62.8-40.4-173.3-164.6157.695.400113.8T875 P876 T880 L881 L882 L938T875-M878 PolarHBondContact O-N 3.32Å; T875-M878 VanDerWaalsContact O-N 3.12Å; P876-M878 PolarHBondContact O-N 2.93Å; M878-T880 PolarHBondContact O-N 3.49Å; M878-L881 PolarHBondContact O-N 3.26Å; M878-L882 VanDerWaalsContact O-CB 3.28Å; M878-L882 WeakPolarHBondContact O-CB 3.25Å; M878-L882 PolarHBondContact O-N 3.12Å; M878-L938 HydrophobicContact CE-CD1 3.55Å
879N65.7Low65.9Low77 Ų7751.7 Ų51.741%0.41228%0.275SS..Hα-helixtrans-62.8-33.6174.1-73.7-12.4000111.7N833 K877 L882 T883N833-N879 HydrophobicContact CB-CB 4.14Å; N833-N879 VanDerWaalsContact ND2-C 3.25Å; N833-N879 PolarHBondContact ND2-O 3.47Å; N833-N879 PolarHBondContact OD1-O 3.38Å; K877-N879 PolarHBondContact O-N 3.33Å; N879-L882 WeakPolarHBondContact O-CB 3.42Å; N879-L882 PolarHBondContact O-N 3.38Å; N879-T883 PolarHBondContact O-N 3.04Å; N879-T883 PolarHBondContact O-OG1 3.33Å
880T67.6Low66.4Low15 Ų1545.1 Ų45.19%0.09225%0.245CC..Hα-helixtrans-73.8-39.1178.7-32.70000112.6M826 L829 N833 K877 M878 L882 T883 L884M826-T880 WeakPolarHBondContact O-CG2 3.27Å; L829-T880 HydrophobicContact CB-CG2 3.65Å; N833-T880 WeakPolarHBondContact ND2-CA 3.34Å; N833-T880 PolarHBondContact ND2-N 2.96Å; K877-T880 CarbonylContact O-C 3.51Å; K877-T880 WeakPolarHBondContact O-CA 3.49Å; K877-T880 VanDerWaalsContact O-CB 3.31Å; K877-T880 WeakPolarHBondContact O-CB 3.42Å; K877-T880 PolarHBondContact O-N 2.94Å; M878-T880 PolarHBondContact O-N 3.49Å; T880-L882 VanDerWaalsContact C-N 3.28Å; T880-T883 VanDerWaalsContact CA-OG1 3.29Å; T880-T883 WeakPolarHBondContact CA-OG1 3.29Å; T880-T883 PolarHBondContact O-N 3.23Å; T880-T883 PolarHBondContact O-OG1 2.79Å; T880-L884 WeakPolarHBondContact O-CB 3.3Å; T880-L884 PolarHBondContact O-N 3.17Å
881L69.8Low67.2Low4 Ų444 Ų442%0.02124%0.237CC..Hα-helixtrans-64.1-35.5169.2-72.9166.8000111.5M826 F867 S870 W871 K877 M878 L884 L885M826-L881 HydrophobicContact CE-CD2 3.3Å; M826-L881 HydrophobicContact CE-CG 3.72Å; M826-L881 HydrophobicContact SD-CD2 4.44Å; F867-L881 HydrophobicContact CD2-CD2 3.89Å; F867-L881 HydrophobicContact CE2-CB 4.21Å; F867-L881 HydrophobicContact CE2-CD2 4.31Å; S870-L881 WeakPolarHBondContact OG-CD2 3.36Å; W871-L881 HydrophobicContact CE3-CD1 4.49Å; K877-L881 PolarHBondContact O-N 3.1Å; M878-L881 PolarHBondContact O-N 3.26Å; L881-L884 WeakPolarHBondContact O-CB 3.45Å; L881-L884 PolarHBondContact O-N 3.21Å; L881-L885 WeakPolarHBondContact O-CB 3.45Å; L881-L885 PolarHBondContact O-N 3.17Å
882L70.5Confident68Low11 Ų1141.8 Ų41.86%0.05823%0.229CC..Hα-helixtrans-70.7-38.8176.9-166.4152.9000111.9M878 N879 T880 L885 R886 H940 L941M878-L882 VanDerWaalsContact O-CB 3.28Å; M878-L882 WeakPolarHBondContact O-CB 3.25Å; M878-L882 PolarHBondContact O-N 3.12Å; N879-L882 WeakPolarHBondContact O-CB 3.42Å; N879-L882 PolarHBondContact O-N 3.38Å; T880-L882 VanDerWaalsContact C-N 3.28Å; L882-L885 PolarHBondContact O-N 2.97Å; L882-R886 WeakPolarHBondContact O-CB 3.21Å; L882-R886 PolarHBondContact O-N 3.29Å; L882-H940 HydrophobicContact CD1-CB 4.14Å; L882-H940 HydrophobicContact CD2-CB 3.83Å; L882-L941 HydrophobicContact CB-CD1 4.47Å; L882-L941 HydrophobicContact CD1-CB 3.57Å; L882-L941 HydrophobicContact CD1-CD1 4.05Å; L882-L941 HydrophobicContact CD1-CG 4.43Å; L882-L941 HydrophobicContact CG-CB 4.37Å; L882-L941 HydrophobicContact CG-CD1 4.18Å
883T73.6Confident69.1Low2 Ų239.3 Ų39.31%0.01221%0.211CC..Hα-helixtrans-69.4-35.3171.318.10000112.1L832 N833 N879 T880 R886 E887L832-T883 HydrophobicContact CB-CG2 3.98Å; L832-T883 HydrophobicContact CD1-CG2 4.4Å; N833-T883 PolarHBondContact ND2-OG1 2.92Å; N833-T883 WeakPolarHBondContact OD1-CG2 3.3Å; N833-T883 PolarHBondContact OD1-OG1 3.45Å; N879-T883 PolarHBondContact O-N 3.04Å; N879-T883 PolarHBondContact O-OG1 3.33Å; T880-T883 VanDerWaalsContact CA-OG1 3.29Å; T880-T883 WeakPolarHBondContact CA-OG1 3.29Å; T880-T883 PolarHBondContact O-N 3.23Å; T880-T883 PolarHBondContact O-OG1 2.79Å; T883-R886 PolarHBondContact O-N 2.88Å; T883-E887 HydrophobicContact CG2-CG 4.38Å; T883-E887 VanDerWaalsContact O-CB 3.32Å; T883-E887 WeakPolarHBondContact O-CB 3.45Å; T883-E887 PolarHBondContact O-N 2.9Å
884L75.1Confident70.4Confident4 Ų438.9 Ų38.92%0.02121%0.205CC..Hα-helixtrans-58.9-47.4170.3-174.987.1000110.8L825 M826 L829 F867 T880 L881 V888 I889L825-L884 HydrophobicContact CD2-CD1 4.12Å; M826-L884 HydrophobicContact SD-CB 4.37Å; M826-L884 HydrophobicContact SD-CD1 4Å; M826-L884 HydrophobicContact SD-CD2 4.05Å; M826-L884 HydrophobicContact SD-CG 4.37Å; L829-L884 HydrophobicContact CD1-CB 3.9Å; L829-L884 HydrophobicContact CD1-CD1 3.4Å; L829-L884 VanDerWaalsContact CD1-CD1 3.4Å; L829-L884 HydrophobicContact CD1-CG 4.27Å; F867-L884 HydrophobicContact CB-CD2 4.08Å; F867-L884 HydrophobicContact CD2-CD2 3.99Å; F867-L884 HydrophobicContact CG-CD2 4.45Å; T880-L884 WeakPolarHBondContact O-CB 3.3Å; T880-L884 PolarHBondContact O-N 3.17Å; L881-L884 WeakPolarHBondContact O-CB 3.45Å; L881-L884 PolarHBondContact O-N 3.21Å; L884-V888 HydrophobicContact CD1-CB 4.49Å; L884-V888 HydrophobicContact CD1-CG2 4.48Å; L884-V888 WeakPolarHBondContact O-CB 3.44Å; L884-V888 PolarHBondContact O-N 3.33Å; L884-V888 VanDerWaalsContact O-N 3.11Å; L884-I889 HydrophobicContact CD2-CD1 3.98Å; L884-I889 HydrophobicContact CG-CD1 4.22Å; L884-I889 HydrophobicContact CG-CG1 4.43Å; L884-I889 PolarHBondContact O-N 3.28Å
885L75.8Confident71.6Confident2 Ų233.3 Ų33.31%0.0118%0.175CC..Iπ-helixtrans-62.3-46.4178.3-171.672.5000111.5F867 L881 L882 I889 L890 L941 A944 L945F867-L885 HydrophobicContact CE1-CD1 4.27Å; F867-L885 HydrophobicContact CZ-CD1 4.15Å; L881-L885 WeakPolarHBondContact O-CB 3.45Å; L881-L885 PolarHBondContact O-N 3.17Å; L882-L885 PolarHBondContact O-N 2.97Å; L885-I889 HydrophobicContact CD1-CB 4.36Å; L885-I889 HydrophobicContact CD1-CD1 4.18Å; L885-I889 HydrophobicContact CD1-CG2 4.31Å; L885-L890 WeakPolarHBondContact O-CB 3.27Å; L885-L890 WeakPolarHBondContact O-CG 3.46Å; L885-L890 PolarHBondContact O-N 3.32Å; L885-L941 HydrophobicContact CD2-CD1 4.37Å; L885-A944 HydrophobicContact CD2-CB 3.61Å; L885-A944 HydrophobicContact CG-CB 4.24Å; L885-L945 HydrophobicContact CD2-CD2 4.47Å
886R77.1Confident72.8Confident94 Ų9430.7 Ų30.736%0.35516%0.16SC..Iπ-helixtrans-75.4-43.7-175-166.5-177.277.3-164.30114.4L882 T883 P891L882-R886 WeakPolarHBondContact O-CB 3.21Å; L882-R886 PolarHBondContact O-N 3.29Å; T883-R886 PolarHBondContact O-N 2.88Å; R886-P891 WeakPolarHBondContact O-CD 3.41Å
887E75.7Confident73.9Confident4 Ų425 Ų252%0.01912%0.122CC..Iπ-helixtrans-101.5-16.1-169.3-57.3-67.8164.900113.5L832 R848 T883L832-E887 HydrophobicContact CD1-CG 4.34Å; R848-E887 IonicContact CZ-OE2 3.33Å; R848-E887 VanDerWaalsContact CZ-OE2 3.23Å; R848-E887 IonicContact NE-OE2 2.61Å; R848-E887 PolarHBondContact NE-OE2 2.93Å; R848-E887 IonicContact NH2-OE1 3.43Å; R848-E887 PolarHBondContact NH2-OE1 3.21Å; R848-E887 IonicContact NH2-OE2 3.26Å; R848-E887 PolarHBondContact NH2-OE2 3.26Å; T883-E887 HydrophobicContact CG2-CG 4.38Å; T883-E887 VanDerWaalsContact O-CB 3.32Å; T883-E887 WeakPolarHBondContact O-CB 3.45Å; T883-E887 PolarHBondContact O-N 2.9Å
888V75.6Confident74.9Confident0 Ų025 Ų250%012%0.123CC..Iπ-helixtrans-119.8-57.4-178.5-170.70000111.8L829 L847 L851 W859 L863 L884 S892L829-V888 HydrophobicContact CD2-CG2 4.26Å; L847-V888 HydrophobicContact CD1-CG2 4.24Å; L847-V888 HydrophobicContact CD2-CG2 4.03Å; L851-V888 HydrophobicContact CD2-CG1 4.25Å; W859-V888 HydrophobicContact CH2-CG1 4.45Å; L863-V888 HydrophobicContact CD2-CG1 3.72Å; L884-V888 HydrophobicContact CD1-CB 4.49Å; L884-V888 HydrophobicContact CD1-CG2 4.48Å; L884-V888 WeakPolarHBondContact O-CB 3.44Å; L884-V888 PolarHBondContact O-N 3.33Å; L884-V888 VanDerWaalsContact O-N 3.11Å; V888-S892 WeakPolarHBondContact O-CB 3.34Å; V888-S892 PolarHBondContact O-N 3.39Å; V888-S892 PolarHBondContact O-OG 2.95Å
889I80.2Confident75.3Confident2 Ų228.5 Ų28.51%0.0114%0.138CC..Iπ-helixtrans-68.4-52.8-173.7-62.2173.6000111.3L863 F864 F867 L884 L885 S892 F893L863-I889 HydrophobicContact CD2-CG1 3.83Å; F864-I889 HydrophobicContact CD2-CG2 4.36Å; F867-I889 HydrophobicContact CB-CD1 4Å; F867-I889 HydrophobicContact CD1-CD1 4.4Å; F867-I889 HydrophobicContact CD2-CD1 4.34Å; F867-I889 HydrophobicContact CG-CD1 4Å; L884-I889 HydrophobicContact CD2-CD1 3.98Å; L884-I889 HydrophobicContact CG-CD1 4.22Å; L884-I889 HydrophobicContact CG-CG1 4.43Å; L884-I889 PolarHBondContact O-N 3.28Å; L885-I889 HydrophobicContact CD1-CB 4.36Å; L885-I889 HydrophobicContact CD1-CD1 4.18Å; L885-I889 HydrophobicContact CD1-CG2 4.31Å; I889-S892 PolarHBondContact O-N 3.22Å; I889-F893 HydrophobicContact CG2-CD1 4.29Å; I889-F893 HydrophobicContact CG2-CD2 4.26Å; I889-F893 HydrophobicContact CG2-CE1 4.12Å; I889-F893 HydrophobicContact CG2-CE2 4.09Å; I889-F893 HydrophobicContact CG2-CG 4.37Å; I889-F893 HydrophobicContact CG2-CZ 4.02Å; I889-F893 WeakPolarHBondContact O-CB 3.47Å; I889-F893 WeakPolarHBondContact O-CG 3.41Å; I889-F893 PolarHBondContact O-N 3.3Å
890L79.9Confident75.4Confident12 Ų1227.7 Ų27.76%0.06315%0.148CC..Hα-helixtrans-57.8-50.8-179.1-88.9160.9000112.8L885 F893 L894 A944 Q947 L948 M951L885-L890 WeakPolarHBondContact O-CB 3.27Å; L885-L890 WeakPolarHBondContact O-CG 3.46Å; L885-L890 PolarHBondContact O-N 3.32Å; L890-F893 PolarHBondContact O-N 3.33Å; L890-L894 WeakPolarHBondContact O-CB 3.26Å; L890-L894 PolarHBondContact O-N 2.88Å; L890-A944 HydrophobicContact CD1-CB 4Å; L890-Q947 HydrophobicContact CD1-CB 4.39Å; L890-Q947 HydrophobicContact CD2-CB 4.08Å; L890-L948 HydrophobicContact CD2-CB 4.29Å; L890-L948 HydrophobicContact CD2-CD1 4.01Å; L890-L948 HydrophobicContact CG-CD1 4.47Å; L890-M951 HydrophobicContact CD2-SD 3.58Å; L890-M951 VanDerWaalsContact CD2-SD 3.58Å
891P80.8Confident75.5Confident26 Ų2629.8 Ų29.817%0.16916%0.156CC..Hα-helixtrans-63.3-41175.4-24.735.7000113.4R886 F893 L894 V895R886-P891 WeakPolarHBondContact O-CD 3.41Å; P891-F893 VanDerWaalsContact C-N 3.32Å; P891-F893 PolarHBondContact O-N 2.86Å; P891-L894 PolarHBondContact O-N 3.06Å; P891-V895 WeakPolarHBondContact O-CG2 3.33Å; P891-V895 PolarHBondContact O-N 3.44Å
892S77Confident75.3Confident2 Ų230.6 Ų30.61%0.01416%0.164CC..Hα-helixtrans-63.1-38.8178.5-63.10000112.1V888 I889 S896V888-S892 WeakPolarHBondContact O-CB 3.34Å; V888-S892 PolarHBondContact O-N 3.39Å; V888-S892 PolarHBondContact O-OG 2.95Å; I889-S892 PolarHBondContact O-N 3.22Å; S892-S896 WeakPolarHBondContact O-CB 3.42Å; S892-S896 PolarHBondContact O-N 3.45Å; S892-S896 PolarHBondContact O-OG 3.41Å
893F81.8Confident74.9Confident2 Ų237.3 Ų37.31%0.00920%0.195CC..Hα-helixtrans-72.6-39.2176.9-77.818.6000111F864 I889 L890 P891 S896 F897 L905 I920 L948 M951F864-F893 HydrophobicContact CB-CZ 4.01Å; F864-F893 HydrophobicContact CD2-CE2 4.05Å; F864-F893 AromaticContact CD2-CZ 3.84Å; F864-F893 HydrophobicContact CD2-CZ 3.84Å; F864-F893 HydrophobicContact CE2-CE2 4.43Å; F864-F893 HydrophobicContact CG-CZ 4.04Å; I889-F893 HydrophobicContact CG2-CD1 4.29Å; I889-F893 HydrophobicContact CG2-CD2 4.26Å; I889-F893 HydrophobicContact CG2-CE1 4.12Å; I889-F893 HydrophobicContact CG2-CE2 4.09Å; I889-F893 HydrophobicContact CG2-CG 4.37Å; I889-F893 HydrophobicContact CG2-CZ 4.02Å; I889-F893 WeakPolarHBondContact O-CB 3.47Å; I889-F893 WeakPolarHBondContact O-CG 3.41Å; I889-F893 PolarHBondContact O-N 3.3Å; L890-F893 PolarHBondContact O-N 3.33Å; P891-F893 VanDerWaalsContact C-N 3.32Å; P891-F893 PolarHBondContact O-N 2.86Å; F893-S896 PolarHBondContact O-N 3Å; F893-F897 HydrophobicContact CB-CD2 4.43Å; F893-F897 HydrophobicContact CB-CE2 4.08Å; F893-F897 WeakPolarHBondContact O-CD2 3.47Å; F893-F897 VanDerWaalsContact O-CG 3.31Å; F893-F897 WeakPolarHBondContact O-CG 3.26Å; F893-F897 PolarHBondContact O-N 3.36Å; F893-L905 HydrophobicContact CD1-CD1 4.37Å; F893-L905 HydrophobicContact CD1-CD2 3.98Å; F893-L905 HydrophobicContact CD2-CD2 4.24Å; F893-L905 HydrophobicContact CE1-CD1 4.41Å; F893-L905 HydrophobicContact CE1-CD2 4.05Å; F893-L905 HydrophobicContact CE2-CD2 4.31Å; F893-L905 HydrophobicContact CG-CD2 4.08Å; F893-L905 HydrophobicContact CZ-CD2 4.21Å; F893-I920 HydrophobicContact CE2-CG2 4.39Å; F893-L948 HydrophobicContact CD2-CD1 4Å; F893-L948 HydrophobicContact CE2-CD1 4.47Å; F893-M951 HydrophobicContact CB-CE 4.15Å
894L78.5Confident74.6Confident60 Ų6043 Ų4331%0.31422%0.221SC..Hα-helixtrans-61.4-48.8177.3-177.268.2000111.4L890 P891 S896 F897 E898 M951 Y955L890-L894 WeakPolarHBondContact O-CB 3.26Å; L890-L894 PolarHBondContact O-N 2.88Å; P891-L894 PolarHBondContact O-N 3.06Å; L894-S896 VanDerWaalsContact C-N 3.28Å; L894-S896 PolarHBondContact O-N 3.39Å; L894-F897 PolarHBondContact O-N 2.9Å; L894-E898 HydrophobicContact CD1-CG 4.39Å; L894-E898 HydrophobicContact CG-CG 4.48Å; L894-E898 WeakPolarHBondContact O-CB 3.47Å; L894-E898 WeakPolarHBondContact O-CG 3.21Å; L894-E898 PolarHBondContact O-N 2.95Å; L894-M951 VanDerWaalsContact CA-CE 3.45Å; L894-M951 HydrophobicContact CB-CE 3.68Å; L894-M951 HydrophobicContact CD1-CE 3.96Å; L894-M951 HydrophobicContact CG-CE 4.45Å; L894-Y955 HydrophobicContact CD1-CE2 4.27Å
895V76.5Confident74.2Confident26 Ų2642.9 Ų42.916%0.15822%0.22CC..Hα-helixtrans-60.1-40177170.80000111.2N853 P891 E898 K899N853-V895 WeakPolarHBondContact OD1-CG1 3.36Å; P891-V895 WeakPolarHBondContact O-CG2 3.33Å; P891-V895 PolarHBondContact O-N 3.44Å; V895-E898 PolarHBondContact O-N 3.32Å; V895-K899 HydrophobicContact CG1-CD 4.04Å; V895-K899 HydrophobicContact CG1-CG 4.47Å; V895-K899 WeakPolarHBondContact O-CB 3.48Å; V895-K899 VanDerWaalsContact O-CG 3.3Å; V895-K899 WeakPolarHBondContact O-CG 3.43Å; V895-K899 PolarHBondContact O-N 2.94Å
896S76.7Confident73.7Confident0 Ų042.8 Ų42.80%022%0.22CC..Hα-helixtrans-69.9-35.4179.1-46.40000111.7K860 S892 F893 L894 G900 E901K860-S896 PolarHBondContact NZ-OG 2.91Å; S892-S896 WeakPolarHBondContact O-CB 3.42Å; S892-S896 PolarHBondContact O-N 3.45Å; S892-S896 PolarHBondContact O-OG 3.41Å; F893-S896 PolarHBondContact O-N 3Å; L894-S896 VanDerWaalsContact C-N 3.28Å; L894-S896 PolarHBondContact O-N 3.39Å; S896-G900 PolarHBondContact O-N 2.98Å; S896-E901 PolarHBondContact O-N 2.73Å
897F77.5Confident72.6Confident13 Ų1344 Ų446%0.05723%0.23CC..Hα-helixtrans-71.5-38.4173.4-67.6-43.9000113F893 L894 G900 A902 L905 I906 M951 F952 Y955 V956F893-F897 HydrophobicContact CB-CD2 4.43Å; F893-F897 HydrophobicContact CB-CE2 4.08Å; F893-F897 WeakPolarHBondContact O-CD2 3.47Å; F893-F897 VanDerWaalsContact O-CG 3.31Å; F893-F897 WeakPolarHBondContact O-CG 3.26Å; F893-F897 PolarHBondContact O-N 3.36Å; L894-F897 PolarHBondContact O-N 2.9Å; F897-G900 PolarHBondContact O-N 3.49Å; F897-A902 HydrophobicContact CD1-CB 3.6Å; F897-A902 HydrophobicContact CE1-CB 3.99Å; F897-L905 HydrophobicContact CE1-CD2 4.36Å; F897-L905 HydrophobicContact CZ-CD2 4.24Å; F897-I906 HydrophobicContact CE1-CD1 4.11Å; F897-I906 HydrophobicContact CZ-CD1 4.42Å; F897-M951 HydrophobicContact CD2-CE 3.59Å; F897-M951 HydrophobicContact CE2-CE 3.92Å; F897-F952 HydrophobicContact CZ-CD1 4.23Å; F897-F952 HydrophobicContact CZ-CE1 4.09Å; F897-Y955 HydrophobicContact CB-CD2 4.26Å; F897-Y955 HydrophobicContact CB-CG 4.29Å; F897-Y955 HydrophobicContact CD2-CD2 4.35Å; F897-Y955 HydrophobicContact CG-CD2 4.47Å; F897-V956 HydrophobicContact CD1-CG2 4.47Å; F897-V956 HydrophobicContact CE1-CG2 3.95Å; F897-V956 HydrophobicContact CZ-CG2 4.42Å
898E75.2Confident71.5Confident130 Ų13045.7 Ų45.761%0.60725%0.248SC*.Hα-helixtrans-69.2-31.5175.8-73.4-179.8172.800112.4L894 V895 G900L894-E898 HydrophobicContact CD1-CG 4.39Å; L894-E898 HydrophobicContact CG-CG 4.48Å; L894-E898 WeakPolarHBondContact O-CB 3.47Å; L894-E898 WeakPolarHBondContact O-CG 3.21Å; L894-E898 PolarHBondContact O-N 2.95Å; V895-E898 PolarHBondContact O-N 3.32Å; E898-G900 PolarHBondContact O-N 3.46Å
899K71.8Confident69.9Low113 Ų11352 Ų5249%0.49129%0.289SS..THydrogen-bonded Turntrans-74.9-6172-75.7179.7175.5-176.90114.4V895 E901V895-K899 HydrophobicContact CG1-CD 4.04Å; V895-K899 HydrophobicContact CG1-CG 4.47Å; V895-K899 WeakPolarHBondContact O-CB 3.48Å; V895-K899 VanDerWaalsContact O-CG 3.3Å; V895-K899 WeakPolarHBondContact O-CG 3.43Å; V895-K899 PolarHBondContact O-N 2.94Å; K899-E901 HydrophobicContact CB-CG 4.37Å
900G67.8Low67.8Low60 Ų6057.4 Ų57.462%0.61933%0.327SS*.THydrogen-bonded Turntrans81.78.3-179.200000115.4S896 F897 E898 A902S896-G900 PolarHBondContact O-N 2.98Å; F897-G900 PolarHBondContact O-N 3.49Å; E898-G900 PolarHBondContact O-N 3.46Å; G900-A902 PolarHBondContact O-N 3.39Å; G900-A902 VanDerWaalsContact O-N 3.14Å
901E69.7Low65.6Low59 Ų5965.5 Ų65.528%0.27636%0.364SS..  trans-82.320.4-179.8-61.2170.7-179.300112.9S896 K899 E903 Q904 L905S896-E901 PolarHBondContact O-N 2.73Å; K899-E901 HydrophobicContact CB-CG 4.37Å; E901-E903 VanDerWaalsContact C-N 3.3Å; E901-E903 PolarHBondContact O-N 3.05Å; E901-Q904 PolarHBondContact O-N 3.28Å; E901-L905 PolarHBondContact O-N 2.98Å; E901-L905 VanDerWaalsContact O-N 3.09Å
902A64.4Low63.4Low21 Ų2169.2 Ų69.217%0.17440%0.397CS..Hα-helixtrans-58-39.1-171.500000113.3F897 G900 I906 V956F897-A902 HydrophobicContact CD1-CB 3.6Å; F897-A902 HydrophobicContact CE1-CB 3.99Å; G900-A902 PolarHBondContact O-N 3.39Å; G900-A902 VanDerWaalsContact O-N 3.14Å; A902-I906 WeakPolarHBondContact O-CD1 3.29Å; A902-I906 WeakPolarHBondContact O-CG1 3.27Å; A902-I906 PolarHBondContact O-N 3.17Å; A902-V956 HydrophobicContact CB-CG2 4.42Å
903E63.1Low61.5Low152 Ų15274.5 Ų74.571%0.7144%0.441SS*.Hα-helixtrans-74.5-36-179.1-64.4-176.5171.100112.5E901 Q907E901-E903 VanDerWaalsContact C-N 3.3Å; E901-E903 PolarHBondContact O-N 3.05Å; E903-Q907 WeakPolarHBondContact O-CA 3.33Å; E903-Q907 PolarHBondContact O-N 2.78Å
904Q66.2Low59.4Low122 Ų12277.6 Ų77.657%0.5747%0.474SS*.Hα-helixtrans-72.5-36.4179.3-65.3-178.53.100112.2E901 I906E901-Q904 PolarHBondContact O-N 3.28Å; Q904-I906 VanDerWaalsContact C-N 3.34Å
905L67.5Low57.9Low0 Ų077.1 Ų77.10%048%0.484CS..Hα-helixtrans-67.9-34.6177.4-166.2107.5000111.7V857 K860 R861 F893 F897 E901 I920V857-L905 HydrophobicContact CG1-CB 4.44Å; V857-L905 HydrophobicContact CG1-CD1 4.35Å; K860-L905 HydrophobicContact CB-CD1 4.26Å; K860-L905 HydrophobicContact CD-CD1 4.27Å; R861-L905 PolarHBondContact NH1-O 2.88Å; F893-L905 HydrophobicContact CD1-CD1 4.37Å; F893-L905 HydrophobicContact CD1-CD2 3.98Å; F893-L905 HydrophobicContact CD2-CD2 4.24Å; F893-L905 HydrophobicContact CE1-CD1 4.41Å; F893-L905 HydrophobicContact CE1-CD2 4.05Å; F893-L905 HydrophobicContact CE2-CD2 4.31Å; F893-L905 HydrophobicContact CG-CD2 4.08Å; F893-L905 HydrophobicContact CZ-CD2 4.21Å; F897-L905 HydrophobicContact CE1-CD2 4.36Å; F897-L905 HydrophobicContact CZ-CD2 4.24Å; E901-L905 PolarHBondContact O-N 2.98Å; E901-L905 VanDerWaalsContact O-N 3.09Å; L905-I920 WeakPolarHBondContact O-CD1 3.36Å
906I64.1Low56.8Low1 Ų180.4 Ų80.41%0.00551%0.505CS..Hα-helixtrans-91.3-45.6-173.8-63.9173.4000112R861 F897 A902 Q904 N919 V921 V956R861-I906 PolarHBondContact NH1-O 3.38Å; R861-I906 VanDerWaalsContact NH1-O 3.08Å; F897-I906 HydrophobicContact CE1-CD1 4.11Å; F897-I906 HydrophobicContact CZ-CD1 4.42Å; A902-I906 WeakPolarHBondContact O-CD1 3.29Å; A902-I906 WeakPolarHBondContact O-CG1 3.27Å; A902-I906 PolarHBondContact O-N 3.17Å; Q904-I906 VanDerWaalsContact C-N 3.34Å; I906-N919 WeakPolarHBondContact CG2-OD1 3.39Å; I906-V921 HydrophobicContact CD1-CG2 4.06Å; I906-V921 HydrophobicContact CG1-CG2 4.46Å; I906-V921 HydrophobicContact CG2-CG2 4.12Å; I906-V956 HydrophobicContact CD1-CB 4.21Å; I906-V956 HydrophobicContact CD1-CG1 3.76Å; I906-V956 HydrophobicContact CD1-CG2 3.72Å
907Q54.3Low55.8Low119 Ų11985.8 Ų85.856%0.55653%0.534SS*.  trans47.9116.1-171.8-91.8-174.9-7.300116.6E903E903-Q907 WeakPolarHBondContact O-CA 3.33Å; E903-Q907 PolarHBondContact O-N 2.78Å
908G52.3Low54.8Low40 Ų4087.2 Ų87.241%0.41255%0.546SS..  trans158.5147.1148.800000114.9H959G908-H959 PolarHBondContact O-CE1 2.92Å
909P42Very low54.3Low132 Ų13282.4 Ų82.486%0.85752%0.524SS*.  cis-113.6143.1-44.335.2-21.8000111.6
910S36.9Very low54.3Low115 Ų11577 Ų7780%0.80450%0.501SS*.SBendtrans-124.7107.8146.7-164.20000105
911E34.2Very low54.4Low182 Ų18274.2 Ų74.285%0.8547%0.472SS*.SBendtrans45115.2165.3-60.9177.9174.600118.9
912A35Very low54.6Low104 Ų10474.4 Ų74.486%0.8647%0.47SS*.SBendtrans100104.3168.600000119.3
913A37Very low54.9Low113 Ų11374.6 Ų74.693%0.93447%0.469SS*.SBendtrans84.423.8137.600000124.6
914G38Very low55.4Low68 Ų6867.4 Ų67.470%0.70144%0.436SS*.  trans-142.7130.2170.500000115.5
915G45.5Very low55.6Low50 Ų5061.6 Ų61.652%0.51541%0.409SS..  trans-70.4174.5-174.300000116.8D917 S918G915-D917 PolarHBondContact O-N 3.08Å; G915-D917 VanDerWaalsContact O-N 3.08Å; G915-S918 PolarHBondContact O-N 3.33Å; G915-S918 PolarHBondContact O-OG 3.21Å
916P53.5Low55.6Low94 Ų9466.6 Ų66.661%0.6143%0.43SS*.G310 helixtrans-65.4-10.2-170.925.9-34.8000116S918 Y922P916-S918 PolarHBondContact O-N 3.12Å; P916-Y922 WeakPolarHBondContact O-CD1 3.36Å
917D56Low55.8Low114 Ų11468.4 Ų68.461%0.6144%0.443SS*.G310 helixtrans-79.3-3.2179.1-63.3-30.2000113.9G915 V923G915-D917 PolarHBondContact O-N 3.08Å; G915-D917 VanDerWaalsContact O-N 3.08Å; D917-V923 WeakPolarHBondContact O-CG2 3.37Å
918S56.1Low56.3Low42 Ų4262.8 Ų62.829%0.29442%0.417SS..G310 helixtrans-88.3-15.4179.659.30000114.4R861 G915 P916R861-S918 PolarHBondContact NH2-O 3.35Å; G915-S918 PolarHBondContact O-N 3.33Å; G915-S918 PolarHBondContact O-OG 3.21Å; P916-S918 PolarHBondContact O-N 3.12Å
919N65.9Low57Low30 Ų3061.3 Ų61.316%0.1640%0.399CS..  trans-86.8112.3-176.5-174.8-21.8000111.1I906 V921 Y922 V923I906-N919 WeakPolarHBondContact CG2-OD1 3.39Å; N919-V921 VanDerWaalsContact C-N 3.26Å; N919-V921 PolarHBondContact O-N 2.93Å; N919-V921 PolarHBondContact OD1-N 3.18Å; N919-Y922 PolarHBondContact O-N 3.02Å; N919-V923 WeakPolarHBondContact O-CG2 3.3Å; N919-V923 PolarHBondContact O-N 2.65Å
920I71.7Confident58.1Low0 Ų060.8 Ų60.80%039%0.385CS..Hα-helixtrans-55.6-38.2-177.6-65.8179.2000112.4R861 F864 F893 L905 F924 F952R861-I920 HydrophobicContact CG-CD1 4.22Å; F864-I920 HydrophobicContact CD1-CG1 4.31Å; F864-I920 HydrophobicContact CD1-CG2 4.02Å; F864-I920 HydrophobicContact CE1-CB 4.38Å; F864-I920 HydrophobicContact CE1-CG1 4.46Å; F864-I920 HydrophobicContact CE1-CG2 3.63Å; F864-I920 HydrophobicContact CE2-CG2 4.34Å; F864-I920 HydrophobicContact CZ-CG2 3.8Å; F893-I920 HydrophobicContact CE2-CG2 4.39Å; L905-I920 WeakPolarHBondContact O-CD1 3.36Å; I920-F924 WeakPolarHBondContact O-CB 3.24Å; I920-F924 PolarHBondContact O-N 3.43Å; I920-F952 HydrophobicContact CG2-CZ 4.13Å
921V70.1Confident59.1Low1 Ų160.8 Ų60.81%0.00638%0.376CS..Hα-helixtrans-73.1-39.5-176.8-176.90000111I906 N919 A925 F952 I960 F980I906-V921 HydrophobicContact CD1-CG2 4.06Å; I906-V921 HydrophobicContact CG1-CG2 4.46Å; I906-V921 HydrophobicContact CG2-CG2 4.12Å; N919-V921 VanDerWaalsContact C-N 3.26Å; N919-V921 PolarHBondContact O-N 2.93Å; N919-V921 PolarHBondContact OD1-N 3.18Å; V921-A925 WeakPolarHBondContact O-CB 3.47Å; V921-A925 PolarHBondContact O-N 3.25Å; V921-F952 HydrophobicContact CG2-CD1 3.95Å; V921-F952 HydrophobicContact CG2-CE1 4Å; V921-F952 HydrophobicContact CG2-CG 4.36Å; V921-F952 HydrophobicContact CG2-CZ 4.42Å; V921-I960 HydrophobicContact CG1-CG1 4.36Å; V921-F980 HydrophobicContact CG1-CZ 4.41Å
922Y72.8Confident60.1Low62 Ų6254.5 Ų54.524%0.24335%0.345CS..Hα-helixtrans-67-47.5176177.4-102.4000111.4P916 N919 F924 A925 K926 P974 L976P916-Y922 WeakPolarHBondContact O-CD1 3.36Å; N919-Y922 PolarHBondContact O-N 3.02Å; Y922-F924 VanDerWaalsContact C-N 3.34Å; Y922-F924 PolarHBondContact O-N 3.28Å; Y922-A925 PolarHBondContact O-N 3.38Å; Y922-K926 HydrophobicContact CE1-CD 4.15Å; Y922-K926 WeakPolarHBondContact O-CB 3.12Å; Y922-K926 PolarHBondContact O-N 3.01Å; Y922-P974 HydrophobicContact CD2-CG 4.09Å; Y922-P974 HydrophobicContact CE2-CB 4.46Å; Y922-P974 HydrophobicContact CE2-CG 4.18Å; Y922-L976 HydrophobicContact CD2-CD2 4.24Å
923V70.5Confident60.9Low26 Ų2653.1 Ų53.116%0.15834%0.341CS..Hα-helixtrans-61.4-43.9177.9176.50000110.4L868 D917 N919 A925 K926 S927L868-V923 HydrophobicContact CD1-CG1 3.61Å; L868-V923 HydrophobicContact CD2-CG1 4.28Å; D917-V923 WeakPolarHBondContact O-CG2 3.37Å; N919-V923 WeakPolarHBondContact O-CG2 3.3Å; N919-V923 PolarHBondContact O-N 2.65Å; V923-A925 PolarHBondContact O-N 3.44Å; V923-K926 PolarHBondContact O-N 2.64Å; V923-S927 VanDerWaalsContact O-CB 3.31Å; V923-S927 WeakPolarHBondContact O-CB 3.31Å; V923-S927 PolarHBondContact O-N 3.25Å; V923-S927 PolarHBondContact O-OG 3.33Å
924F74.2Confident61.3Low1 Ų156.5 Ų56.50%0.00434%0.338CS..Hα-helixtrans-60.2-45.1176.8178.1-105.2000112.8F864 I920 Y922 F928 L929 L945 L948 F952 F980F864-F924 HydrophobicContact CZ-CB 4.45Å; I920-F924 WeakPolarHBondContact O-CB 3.24Å; I920-F924 PolarHBondContact O-N 3.43Å; Y922-F924 VanDerWaalsContact C-N 3.34Å; Y922-F924 PolarHBondContact O-N 3.28Å; F924-F928 HydrophobicContact CD2-CB 4.24Å; F924-F928 AromaticContact CD2-CD2 3.57Å; F924-F928 HydrophobicContact CD2-CD2 3.57Å; F924-F928 HydrophobicContact CD2-CE2 4.31Å; F924-F928 HydrophobicContact CD2-CG 4.19Å; F924-F928 HydrophobicContact CE2-CB 4.05Å; F924-F928 AromaticContact CE2-CD2 3.93Å; F924-F928 HydrophobicContact CE2-CD2 3.93Å; F924-F928 HydrophobicContact CE2-CG 4.13Å; F924-F928 HydrophobicContact CG-CD2 4.47Å; F924-F928 WeakPolarHBondContact O-CB 3.44Å; F924-F928 PolarHBondContact O-N 3.16Å; F924-L929 HydrophobicContact CD1-CD1 4.07Å; F924-L929 HydrophobicContact CD1-CG 4.36Å; F924-L929 HydrophobicContact CE1-CD1 3.86Å; F924-L929 HydrophobicContact CE1-CD2 4.23Å; F924-L929 HydrophobicContact CE1-CG 4Å; F924-L945 HydrophobicContact CE2-CD2 3.71Å; F924-L945 HydrophobicContact CZ-CD2 4.01Å; F924-L948 HydrophobicContact CD2-CD2 3.82Å; F924-L948 HydrophobicContact CE1-CD2 4.39Å; F924-L948 HydrophobicContact CE2-CD2 3.49Å; F924-L948 VanDerWaalsContact CE2-CD2 3.49Å; F924-L948 HydrophobicContact CG-CD2 4.41Å; F924-L948 HydrophobicContact CZ-CD2 3.8Å; F924-F952 HydrophobicContact CB-CE2 4.45Å; F924-F952 HydrophobicContact CD1-CD2 4.15Å; F924-F952 AromaticContact CD1-CE2 3.83Å; F924-F952 HydrophobicContact CD1-CE2 3.83Å; F924-F952 HydrophobicContact CE1-CD2 4.39Å; F924-F952 HydrophobicContact CE1-CE2 4.26Å; F924-F952 HydrophobicContact CG-CE2 4.1Å; F924-F980 HydrophobicContact CD1-CE1 4.45Å; F924-F980 HydrophobicContact CD1-CZ 4.3Å; F924-F980 HydrophobicContact CE1-CE1 4.19Å; F924-F980 HydrophobicContact CE1-CZ 4.5Å
925A69.4Low61.8Low0 Ų059 Ų590%033%0.331CS..Iπ-helixtrans-64.2-43.5179.400000112.1V921 Y922 V923 L929 E930 L976 F980V921-A925 WeakPolarHBondContact O-CB 3.47Å; V921-A925 PolarHBondContact O-N 3.25Å; Y922-A925 PolarHBondContact O-N 3.38Å; V923-A925 PolarHBondContact O-N 3.44Å; A925-L929 HydrophobicContact CB-CD1 4.16Å; A925-L929 CarbonylContact O-C 3.36Å; A925-L929 WeakPolarHBondContact O-CA 3.28Å; A925-L929 WeakPolarHBondContact O-CB 3.36Å; A925-L929 PolarHBondContact O-N 3.09Å; A925-E930 PolarHBondContact O-N 3.22Å; A925-L976 HydrophobicContact CB-CD2 3.77Å; A925-F980 HydrophobicContact CB-CE2 4.48Å
926K69.3Low62.2Low105 Ų10566.9 Ų66.946%0.45735%0.351SS..Iπ-helixtrans-70.9-42.4-180-170.3177.6-179.1179.50112.9Y922 V923Y922-K926 HydrophobicContact CE1-CD 4.15Å; Y922-K926 WeakPolarHBondContact O-CB 3.12Å; Y922-K926 PolarHBondContact O-N 3.01Å; V923-K926 PolarHBondContact O-N 2.64Å
927S66.4Low62.3Low38 Ų3864.9 Ų64.927%0.26633%0.331SS..Iπ-helixtrans-83.3-32.3-174.568.50000113.6L868 V923L868-S927 WeakPolarHBondContact CD2-OG 3.21Å; V923-S927 VanDerWaalsContact O-CB 3.31Å; V923-S927 WeakPolarHBondContact O-CB 3.31Å; V923-S927 PolarHBondContact O-N 3.25Å; V923-S927 PolarHBondContact O-OG 3.33Å
928F65.8Low62.6Low2 Ų263.2 Ų63.21%0.00932%0.322CS..Iπ-helixtrans-111.8-40.9-175.5-65.4-80.7000114.1F867 L868 W871 F924 Y932F867-F928 HydrophobicContact CE1-CE1 4.42Å; F867-F928 HydrophobicContact CE1-CE2 4.29Å; F867-F928 AromaticContact CE1-CZ 3.7Å; F867-F928 HydrophobicContact CE1-CZ 3.7Å; F867-F928 HydrophobicContact CZ-CZ 4.34Å; L868-F928 HydrophobicContact CD2-CE2 3.72Å; L868-F928 HydrophobicContact CD2-CZ 4.19Å; L868-F928 HydrophobicContact CG-CE2 4.09Å; W871-F928 AromaticContact CD1-CE1 3.84Å; W871-F928 AromaticContact CD2-CE1 3.77Å; W871-F928 HydrophobicContact CD2-CE1 3.77Å; W871-F928 HydrophobicContact CD2-CZ 4.24Å; W871-F928 AromaticContact CE2-CE1 3.62Å; W871-F928 HydrophobicContact CE3-CE1 4.4Å; W871-F928 AromaticContact CG-CE1 3.95Å; W871-F928 HydrophobicContact CG-CE1 3.95Å; W871-F928 HydrophobicContact CG-CZ 4.14Å; W871-F928 HydrophobicContact CZ2-CE1 4.2Å; W871-F928 AromaticContact NE1-CE1 3.61Å; F924-F928 HydrophobicContact CD2-CB 4.24Å; F924-F928 AromaticContact CD2-CD2 3.57Å; F924-F928 HydrophobicContact CD2-CD2 3.57Å; F924-F928 HydrophobicContact CD2-CE2 4.31Å; F924-F928 HydrophobicContact CD2-CG 4.19Å; F924-F928 HydrophobicContact CE2-CB 4.05Å; F924-F928 AromaticContact CE2-CD2 3.93Å; F924-F928 HydrophobicContact CE2-CD2 3.93Å; F924-F928 HydrophobicContact CE2-CG 4.13Å; F924-F928 HydrophobicContact CG-CD2 4.47Å; F924-F928 WeakPolarHBondContact O-CB 3.44Å; F924-F928 PolarHBondContact O-N 3.16Å; F928-Y932 WeakPolarHBondContact O-CD2 3.3Å; F928-Y932 WeakPolarHBondContact O-CE2 3.4Å
929L67.7Low63.1Low9 Ų964.4 Ų64.45%0.04733%0.325CS..Iπ-helixtrans-87.9-33.9-171.6-59.8174.3000114.2F924 A925 Y932 P979 F980 F983F924-L929 HydrophobicContact CD1-CD1 4.07Å; F924-L929 HydrophobicContact CD1-CG 4.36Å; F924-L929 HydrophobicContact CE1-CD1 3.86Å; F924-L929 HydrophobicContact CE1-CD2 4.23Å; F924-L929 HydrophobicContact CE1-CG 4Å; A925-L929 HydrophobicContact CB-CD1 4.16Å; A925-L929 CarbonylContact O-C 3.36Å; A925-L929 WeakPolarHBondContact O-CA 3.28Å; A925-L929 WeakPolarHBondContact O-CB 3.36Å; A925-L929 PolarHBondContact O-N 3.09Å; L929-Y932 HydrophobicContact CD2-CE2 4.25Å; L929-Y932 WeakPolarHBondContact O-CD2 3.45Å; L929-P979 HydrophobicContact CB-CB 4.07Å; L929-F980 HydrophobicContact CD1-CD1 3.54Å; L929-F980 HydrophobicContact CD1-CD2 4.05Å; L929-F980 HydrophobicContact CD1-CE1 3.39Å; L929-F980 HydrophobicContact CD1-CE2 3.9Å; L929-F980 HydrophobicContact CD1-CG 3.87Å; L929-F980 HydrophobicContact CD1-CZ 3.57Å; L929-F983 HydrophobicContact CD2-CB 3.77Å; L929-F983 HydrophobicContact CD2-CD1 3.28Å; L929-F983 HydrophobicContact CD2-CD2 4.21Å; L929-F983 HydrophobicContact CD2-CE1 3.89Å; L929-F983 HydrophobicContact CD2-CG 3.46Å; L929-F983 VanDerWaalsContact CD2-CG 3.46Å
930E64.4Low63.2Low120 Ų12068.6 Ų68.656%0.56134%0.343SS*.THydrogen-bonded Turntrans-78.9-27.2-179.7-73.9-177.6160.400113.7A925 Y932 P979A925-E930 PolarHBondContact O-N 3.22Å; E930-Y932 PolarHBondContact O-N 3.08Å; E930-P979 HydrophobicContact CG-CB 4.34Å; E930-P979 HydrophobicContact CG-CG 4.09Å
931N58Low63.1Low116 Ų11668.6 Ų68.662%0.6234%0.343SS*.THydrogen-bonded Turntrans-91.228.9-177.3-71.4-28.6000114.6G933N931-G933 PolarHBondContact O-N 3.13Å; N931-G933 VanDerWaalsContact O-N 3.13Å
932Y54Low63.2Low49 Ų4969.2 Ų69.219%0.19235%0.346CS..THydrogen-bonded Turntrans-72.9-2.7-168.8-112.1-89.1000116.2F928 L929 E930 F983 Y987F928-Y932 WeakPolarHBondContact O-CD2 3.3Å; F928-Y932 WeakPolarHBondContact O-CE2 3.4Å; L929-Y932 HydrophobicContact CD2-CE2 4.25Å; L929-Y932 WeakPolarHBondContact O-CD2 3.45Å; E930-Y932 PolarHBondContact O-N 3.08Å; Y932-F983 AromaticContact CD1-CD2 3.96Å; Y932-F983 HydrophobicContact CD1-CD2 3.96Å; Y932-F983 HydrophobicContact CD1-CE2 4.17Å; Y932-F983 AromaticContact CD2-CD2 3.84Å; Y932-F983 HydrophobicContact CD2-CD2 3.84Å; Y932-F983 HydrophobicContact CD2-CE2 4.39Å; Y932-F983 AromaticContact CE1-CD2 3.53Å; Y932-F983 HydrophobicContact CE1-CD2 3.53Å; Y932-F983 AromaticContact CE1-CE2 3.29Å; Y932-F983 HydrophobicContact CE1-CE2 3.29Å; Y932-F983 HydrophobicContact CE1-CZ 4.42Å; Y932-F983 AromaticContact CE2-CD2 3.38Å; Y932-F983 HydrophobicContact CE2-CD2 3.38Å; Y932-F983 AromaticContact CE2-CE2 3.56Å; Y932-F983 HydrophobicContact CE2-CE2 3.56Å; Y932-F983 HydrophobicContact CE2-CG 4.17Å; Y932-F983 HydrophobicContact CE2-CZ 4.33Å; Y932-F983 HydrophobicContact CG-CD2 4.13Å; Y932-F983 AromaticContact CZ-CD2 3.25Å; Y932-F983 AromaticContact CZ-CE2 2.94Å; Y932-F983 AromaticContact CZ-CZ 3.78Å; Y932-F983 WeakPolarHBondContact OH-CE2 3.43Å; Y932-F983 VanDerWaalsContact OH-CZ 3.27Å; Y932-F983 WeakPolarHBondContact OH-CZ 3.19Å; Y932-Y987 HydrophobicContact CE1-CE2 4.29Å; Y932-Y987 WeakPolarHBondContact CE1-OH 3.47Å
933G52.8Low63.4Low75 Ų7567.7 Ų67.777%0.77334%0.342SS*.THydrogen-bonded Turntrans-76-18.5-163.700000119N931N931-G933 PolarHBondContact O-N 3.13Å; N931-G933 VanDerWaalsContact O-N 3.13Å
934E46.3Very low63.5Low185 Ų18566.5 Ų66.586%0.86434%0.335SS*.SBendtrans-131.3-3.4-157.8-69.9-171161.800120.1
935Q48.2Very low63.7Low119 Ų11966.6 Ų66.656%0.55634%0.336SS*.  trans-145.1134.4-177.1-65.4-176.5-9.900116.6R937Q935-R937 PolarHBondContact O-N 3.2Å; Q935-R937 VanDerWaalsContact O-N 3.12Å
936K52.7Low64.2Low217 Ų21766.6 Ų66.694%0.94334%0.336SS*.  trans-65.3100.8174-81.4-176.2176.6179.30111.2
937R55.8Low64.7Low51 Ų5164.9 Ų64.919%0.19233%0.329CS..  trans-92.6149.2173.8-62.9-178.3-179.4171.52.3111.9Q935 L941 Q942Q935-R937 PolarHBondContact O-N 3.2Å; Q935-R937 VanDerWaalsContact O-N 3.12Å; R937-L941 HydrophobicContact CB-CD2 3.96Å; R937-L941 HydrophobicContact CG-CD2 4.24Å; R937-Q942 HydrophobicContact CB-CG 4.46Å; R937-Q942 PolarHBondContact O-NE2 3.27Å
938L61.8Low65.4Low79 Ų7963.1 Ų63.141%0.41432%0.317SS..  trans-56.3140.5177.6-89.6131.9000113.4M878 H940 L941 Q942M878-L938 HydrophobicContact CE-CD1 3.55Å; L938-H940 PolarHBondContact O-N 3.27Å; L938-L941 VanDerWaalsContact O-CB 3.26Å; L938-L941 WeakPolarHBondContact O-CB 3.44Å; L938-L941 PolarHBondContact O-N 2.98Å; L938-Q942 PolarHBondContact O-N 3.38Å
939D66.5Low66.1Low68 Ų6863 Ų6336%0.36432%0.317SS..Hα-helixtrans-58.3-41.4-174.6-69.6-19.4000113.6L941 Q942 L943 L998D939-L941 PolarHBondContact O-N 3.44Å; D939-Q942 PolarHBondContact O-N 2.93Å; D939-L943 PolarHBondContact O-N 3.08Å; D939-L998 HydrophobicContact CB-CD1 3.51Å; D939-L998 WeakPolarHBondContact OD1-CD1 3.32Å
940H68.1Low66.6Low117 Ų11763.6 Ų63.654%0.54232%0.319SS..Hα-helixtrans-62.8-29.1176.7-62.7-51.5000113.7L882 L938 A944L882-H940 HydrophobicContact CD1-CB 4.14Å; L882-H940 HydrophobicContact CD2-CB 3.83Å; L938-H940 PolarHBondContact O-N 3.27Å; H940-A944 PolarHBondContact O-N 2.98Å; H940-A944 VanDerWaalsContact O-N 3.1Å
941L70.4Confident67.3Low0 Ų058.9 Ų58.90%030%0.298CS..Hα-helixtrans-71.2-46.8177.3-175.977.6000109.1W871 L882 L885 R937 L938 D939 L943 A944 L945W871-L941 HydrophobicContact CH2-CD1 3.57Å; W871-L941 HydrophobicContact CH2-CD2 3.43Å; W871-L941 VanDerWaalsContact CH2-CD2 3.43Å; W871-L941 HydrophobicContact CH2-CG 4.1Å; W871-L941 HydrophobicContact CZ2-CD2 3.92Å; W871-L941 HydrophobicContact CZ3-CD1 3.92Å; L882-L941 HydrophobicContact CB-CD1 4.47Å; L882-L941 HydrophobicContact CD1-CB 3.57Å; L882-L941 HydrophobicContact CD1-CD1 4.05Å; L882-L941 HydrophobicContact CD1-CG 4.43Å; L882-L941 HydrophobicContact CG-CB 4.37Å; L882-L941 HydrophobicContact CG-CD1 4.18Å; L885-L941 HydrophobicContact CD2-CD1 4.37Å; R937-L941 HydrophobicContact CB-CD2 3.96Å; R937-L941 HydrophobicContact CG-CD2 4.24Å; L938-L941 VanDerWaalsContact O-CB 3.26Å; L938-L941 WeakPolarHBondContact O-CB 3.44Å; L938-L941 PolarHBondContact O-N 2.98Å; D939-L941 PolarHBondContact O-N 3.44Å; L941-L943 PolarHBondContact O-N 2.88Å; L941-A944 PolarHBondContact O-N 3.44Å; L941-L945 HydrophobicContact CD2-CD1 4.23Å; L941-L945 HydrophobicContact CG-CD1 4.06Å; L941-L945 HydrophobicContact CG-CG 4.45Å; L941-L945 VanDerWaalsContact O-CG 3.31Å; L941-L945 WeakPolarHBondContact O-CG 3.42Å; L941-L945 PolarHBondContact O-N 3.02Å
942Q72.9Confident68.4Low14 Ų1453.4 Ų53.47%0.06527%0.268CS..Hα-helixtrans-60.3-39.6179-62.2-179.510.700109.8R937 L938 D939 L945 F946 Y987 L998R937-Q942 HydrophobicContact CB-CG 4.46Å; R937-Q942 PolarHBondContact O-NE2 3.27Å; L938-Q942 PolarHBondContact O-N 3.38Å; D939-Q942 PolarHBondContact O-N 2.93Å; Q942-L945 PolarHBondContact O-N 3.41Å; Q942-F946 WeakPolarHBondContact O-CD2 3.47Å; Q942-F946 PolarHBondContact O-N 3.23Å; Q942-Y987 VanDerWaalsContact CD-OH 3.29Å; Q942-Y987 PolarHBondContact OE1-OH 2.94Å; Q942-L998 HydrophobicContact CB-CD1 4.33Å; Q942-L998 HydrophobicContact CB-CD2 3.44Å; Q942-L998 VanDerWaalsContact CB-CD2 3.44Å
943L76Confident69.5Low30 Ų3051.1 Ų51.116%0.15726%0.259CS..Hα-helixtrans-63.9-44177-155.8108.6000111.9D939 L941 F946 Q947 L997 L998D939-L943 PolarHBondContact O-N 3.08Å; L941-L943 PolarHBondContact O-N 2.88Å; L943-F946 PolarHBondContact O-N 2.89Å; L943-Q947 WeakPolarHBondContact O-CG 3.39Å; L943-Q947 PolarHBondContact O-N 3.48Å; L943-L997 HydrophobicContact CD1-CB 4.26Å; L943-L997 HydrophobicContact CD1-CD2 3.78Å; L943-L998 HydrophobicContact CB-CD2 4.15Å; L943-L998 HydrophobicContact CD1-CD2 4.22Å; L943-L998 HydrophobicContact CD1-CG 4.16Å
944A73.4Confident70.7Confident2 Ų251.2 Ų51.22%0.01724%0.239CC..Hα-helixtrans-66.1-36175.900000112.5L885 L890 H940 L941 Q947 L948L885-A944 HydrophobicContact CD2-CB 3.61Å; L885-A944 HydrophobicContact CG-CB 4.24Å; L890-A944 HydrophobicContact CD1-CB 4Å; H940-A944 PolarHBondContact O-N 2.98Å; H940-A944 VanDerWaalsContact O-N 3.1Å; L941-A944 PolarHBondContact O-N 3.44Å; A944-Q947 PolarHBondContact O-N 3.19Å; A944-L948 PolarHBondContact O-N 3.27Å
945L77.9Confident72Confident3 Ų346.2 Ų46.22%0.01621%0.213CC..Hα-helixtrans-67.6-38.7173.1-70171.4000112L885 F924 L941 Q942 L948 S949 F983L885-L945 HydrophobicContact CD2-CD2 4.47Å; F924-L945 HydrophobicContact CE2-CD2 3.71Å; F924-L945 HydrophobicContact CZ-CD2 4.01Å; L941-L945 HydrophobicContact CD2-CD1 4.23Å; L941-L945 HydrophobicContact CG-CD1 4.06Å; L941-L945 HydrophobicContact CG-CG 4.45Å; L941-L945 VanDerWaalsContact O-CG 3.31Å; L941-L945 WeakPolarHBondContact O-CG 3.42Å; L941-L945 PolarHBondContact O-N 3.02Å; Q942-L945 PolarHBondContact O-N 3.41Å; L945-L948 PolarHBondContact O-N 3.08Å; L945-S949 WeakPolarHBondContact O-CB 3.24Å; L945-S949 PolarHBondContact O-N 2.96Å; L945-S949 PolarHBondContact O-OG 3.01Å; L945-F983 HydrophobicContact CB-CZ 4.47Å
946F80.5Confident73.2Confident0 Ų040.9 Ų40.90%019%0.188CC..Hα-helixtrans-63.1-44.8171.5-83.7-62.7000111.4Q942 L943 L948 S949 I950 F983 Y987 L998 H1001 L1005Q942-F946 WeakPolarHBondContact O-CD2 3.47Å; Q942-F946 PolarHBondContact O-N 3.23Å; L943-F946 PolarHBondContact O-N 2.89Å; F946-L948 PolarHBondContact O-N 3.3Å; F946-S949 PolarHBondContact O-N 2.73Å; F946-I950 WeakPolarHBondContact O-CB 3.46Å; F946-I950 WeakPolarHBondContact O-CD1 3.49Å; F946-I950 WeakPolarHBondContact O-CG1 3.37Å; F946-I950 PolarHBondContact O-N 3.48Å; F946-F983 HydrophobicContact CD1-CD1 4.39Å; F946-F983 AromaticContact CD1-CE1 3.62Å; F946-F983 HydrophobicContact CD1-CE1 3.62Å; F946-F983 AromaticContact CD1-CZ 3.91Å; F946-F983 HydrophobicContact CD1-CZ 3.91Å; F946-F983 HydrophobicContact CD2-CZ 4.17Å; F946-F983 HydrophobicContact CE1-CD1 4.06Å; F946-F983 AromaticContact CE1-CE1 3.54Å; F946-F983 HydrophobicContact CE1-CE1 3.54Å; F946-F983 HydrophobicContact CE1-CE2 4.22Å; F946-F983 AromaticContact CE1-CZ 3.64Å; F946-F983 HydrophobicContact CE1-CZ 3.64Å; F946-F983 HydrophobicContact CE2-CE2 4.39Å; F946-F983 AromaticContact CE2-CZ 3.92Å; F946-F983 HydrophobicContact CE2-CZ 3.92Å; F946-F983 HydrophobicContact CG-CE1 4.18Å; F946-F983 HydrophobicContact CG-CZ 4.16Å; F946-F983 HydrophobicContact CZ-CE1 4.06Å; F946-F983 AromaticContact CZ-CE2 3.95Å; F946-F983 HydrophobicContact CZ-CE2 3.95Å; F946-F983 AromaticContact CZ-CZ 3.64Å; F946-F983 HydrophobicContact CZ-CZ 3.64Å; F946-Y987 HydrophobicContact CE2-CD1 4.45Å; F946-Y987 HydrophobicContact CE2-CD2 4.3Å; F946-Y987 HydrophobicContact CE2-CE1 4.38Å; F946-Y987 HydrophobicContact CE2-CE2 4.22Å; F946-Y987 HydrophobicContact CE2-CG 4.39Å; F946-Y987 HydrophobicContact CZ-CD1 4.46Å; F946-Y987 AromaticContact CZ-CD2 3.63Å; F946-Y987 HydrophobicContact CZ-CD2 3.63Å; F946-Y987 AromaticContact CZ-CE2 3.79Å; F946-Y987 HydrophobicContact CZ-CE2 3.79Å; F946-Y987 AromaticContact CZ-CG 3.96Å; F946-Y987 HydrophobicContact CZ-CG 3.96Å; F946-L998 HydrophobicContact CD2-CD2 3.72Å; F946-L998 HydrophobicContact CE2-CD2 3.84Å; F946-H1001 HydrophobicContact CB-CB 4.06Å; F946-H1001 HydrophobicContact CD2-CB 4.49Å; F946-H1001 HydrophobicContact CG-CB 4.24Å; F946-L1005 HydrophobicContact CD1-CD2 3.99Å; F946-L1005 HydrophobicContact CE1-CD2 4.23Å
947Q79.7Confident74Confident68 Ų6832.2 Ų32.232%0.31815%0.154SC..Hα-helixtrans-60.2-44.1176.9-74.2176.1-1000112L890 L943 A944 S949 I950 M951L890-Q947 HydrophobicContact CD1-CB 4.39Å; L890-Q947 HydrophobicContact CD2-CB 4.08Å; L943-Q947 WeakPolarHBondContact O-CG 3.39Å; L943-Q947 PolarHBondContact O-N 3.48Å; A944-Q947 PolarHBondContact O-N 3.19Å; Q947-S949 VanDerWaalsContact C-N 3.35Å; Q947-S949 PolarHBondContact O-N 3.35Å; Q947-I950 PolarHBondContact O-N 2.86Å; Q947-M951 WeakPolarHBondContact O-CG 3.29Å; Q947-M951 PolarHBondContact O-N 3.26Å
948L80.4Confident74.5Confident1 Ų133.2 Ų33.21%0.00517%0.168CC..Hα-helixtrans-63.1-41.9175.6-163.181.7000111.6L890 F893 F924 A944 L945 F946 M951 F952L890-L948 HydrophobicContact CD2-CB 4.29Å; L890-L948 HydrophobicContact CD2-CD1 4.01Å; L890-L948 HydrophobicContact CG-CD1 4.47Å; F893-L948 HydrophobicContact CD2-CD1 4Å; F893-L948 HydrophobicContact CE2-CD1 4.47Å; F924-L948 HydrophobicContact CD2-CD2 3.82Å; F924-L948 HydrophobicContact CE1-CD2 4.39Å; F924-L948 HydrophobicContact CE2-CD2 3.49Å; F924-L948 VanDerWaalsContact CE2-CD2 3.49Å; F924-L948 HydrophobicContact CG-CD2 4.41Å; F924-L948 HydrophobicContact CZ-CD2 3.8Å; A944-L948 PolarHBondContact O-N 3.27Å; L945-L948 PolarHBondContact O-N 3.08Å; F946-L948 PolarHBondContact O-N 3.3Å; L948-M951 WeakPolarHBondContact O-CB 3.31Å; L948-M951 PolarHBondContact O-N 2.93Å; L948-F952 HydrophobicContact CD2-CE2 3.78Å; L948-F952 HydrophobicContact CD2-CZ 4.2Å; L948-F952 HydrophobicContact CG-CD2 4.39Å; L948-F952 HydrophobicContact CG-CE2 3.76Å; L948-F952 HydrophobicContact CG-CZ 4.11Å; L948-F952 WeakPolarHBondContact O-CD2 3.45Å; L948-F952 PolarHBondContact O-N 3.08Å
949S79.6Confident74.6Confident0 Ų032.3 Ų32.30%016%0.161CC..Hα-helixtrans-64.3-41.9177.2-58.30000112.1L945 F946 Q947 M951 F952 V953L945-S949 WeakPolarHBondContact O-CB 3.24Å; L945-S949 PolarHBondContact O-N 2.96Å; L945-S949 PolarHBondContact O-OG 3.01Å; F946-S949 PolarHBondContact O-N 2.73Å; Q947-S949 VanDerWaalsContact C-N 3.35Å; Q947-S949 PolarHBondContact O-N 3.35Å; S949-M951 VanDerWaalsContact C-N 3.33Å; S949-M951 PolarHBondContact O-N 3.37Å; S949-F952 PolarHBondContact O-N 3.41Å; S949-V953 WeakPolarHBondContact O-CG2 3.25Å; S949-V953 PolarHBondContact O-N 3.1Å
950I79.1Confident74.5Confident21 Ų2129.3 Ų29.311%0.10815%0.145CC..Hα-helixtrans-63-40.9174.9-68.1162.1000110.2F946 Q947 V953 K954 V1004 L1005 Y1008F946-I950 WeakPolarHBondContact O-CB 3.46Å; F946-I950 WeakPolarHBondContact O-CD1 3.49Å; F946-I950 WeakPolarHBondContact O-CG1 3.37Å; F946-I950 PolarHBondContact O-N 3.48Å; Q947-I950 PolarHBondContact O-N 2.86Å; I950-V953 PolarHBondContact O-N 3.22Å; I950-K954 WeakPolarHBondContact O-CB 3.24Å; I950-K954 PolarHBondContact O-N 3.05Å; I950-V1004 HydrophobicContact CD1-CB 4.16Å; I950-V1004 HydrophobicContact CD1-CG1 3.79Å; I950-V1004 HydrophobicContact CG1-CG1 4.31Å; I950-L1005 HydrophobicContact CG1-CB 4Å; I950-L1005 HydrophobicContact CG1-CD1 3.88Å; I950-L1005 HydrophobicContact CG1-CG 4.5Å; I950-Y1008 HydrophobicContact CG2-CD2 4.07Å; I950-Y1008 HydrophobicContact CG2-CE2 4.08Å
951M78.8Confident74.3Confident22 Ų2227.1 Ų27.111%0.10813%0.134CC..Hα-helixtrans-61.5-44.6176.9-75.4176.364.900112L890 F893 L894 F897 Q947 L948 S949 K954 Y955L890-M951 HydrophobicContact CD2-SD 3.58Å; L890-M951 VanDerWaalsContact CD2-SD 3.58Å; F893-M951 HydrophobicContact CB-CE 4.15Å; L894-M951 VanDerWaalsContact CA-CE 3.45Å; L894-M951 HydrophobicContact CB-CE 3.68Å; L894-M951 HydrophobicContact CD1-CE 3.96Å; L894-M951 HydrophobicContact CG-CE 4.45Å; F897-M951 HydrophobicContact CD2-CE 3.59Å; F897-M951 HydrophobicContact CE2-CE 3.92Å; Q947-M951 WeakPolarHBondContact O-CG 3.29Å; Q947-M951 PolarHBondContact O-N 3.26Å; L948-M951 WeakPolarHBondContact O-CB 3.31Å; L948-M951 PolarHBondContact O-N 2.93Å; S949-M951 VanDerWaalsContact C-N 3.33Å; S949-M951 PolarHBondContact O-N 3.37Å; M951-K954 PolarHBondContact O-N 3.44Å; M951-Y955 WeakPolarHBondContact O-CD2 3.42Å; M951-Y955 PolarHBondContact O-N 3.33Å
952F81.2Confident73.8Confident0 Ų030.3 Ų30.30%015%0.151CC..Hα-helixtrans-62.7-44.5176-67.3-42.4000112.3F897 I920 V921 F924 L948 S949 K954 V956 I960 F980F897-F952 HydrophobicContact CZ-CD1 4.23Å; F897-F952 HydrophobicContact CZ-CE1 4.09Å; I920-F952 HydrophobicContact CG2-CZ 4.13Å; V921-F952 HydrophobicContact CG2-CD1 3.95Å; V921-F952 HydrophobicContact CG2-CE1 4Å; V921-F952 HydrophobicContact CG2-CG 4.36Å; V921-F952 HydrophobicContact CG2-CZ 4.42Å; F924-F952 HydrophobicContact CB-CE2 4.45Å; F924-F952 HydrophobicContact CD1-CD2 4.15Å; F924-F952 AromaticContact CD1-CE2 3.83Å; F924-F952 HydrophobicContact CD1-CE2 3.83Å; F924-F952 HydrophobicContact CE1-CD2 4.39Å; F924-F952 HydrophobicContact CE1-CE2 4.26Å; F924-F952 HydrophobicContact CG-CE2 4.1Å; L948-F952 HydrophobicContact CD2-CE2 3.78Å; L948-F952 HydrophobicContact CD2-CZ 4.2Å; L948-F952 HydrophobicContact CG-CD2 4.39Å; L948-F952 HydrophobicContact CG-CE2 3.76Å; L948-F952 HydrophobicContact CG-CZ 4.11Å; L948-F952 WeakPolarHBondContact O-CD2 3.45Å; L948-F952 PolarHBondContact O-N 3.08Å; S949-F952 PolarHBondContact O-N 3.41Å; F952-K954 PolarHBondContact O-N 3.47Å; F952-V956 CarbonylContact O-C 3.47Å; F952-V956 WeakPolarHBondContact O-CA 3.27Å; F952-V956 PolarHBondContact O-N 2.9Å; F952-I960 HydrophobicContact CB-CD1 4.23Å; F952-F980 HydrophobicContact CD2-CZ 4.45Å
953V77.5Confident73Confident1 Ų134 Ų341%0.00618%0.177CC..Hα-helixtrans-66.6-36.4178.4173.90000112.3S949 I950 I960 L1005 I1009 F1013S949-V953 WeakPolarHBondContact O-CG2 3.25Å; S949-V953 PolarHBondContact O-N 3.1Å; I950-V953 PolarHBondContact O-N 3.22Å; V953-I960 HydrophobicContact CG2-CD1 3.93Å; V953-L1005 HydrophobicContact CB-CD1 4.34Å; V953-L1005 HydrophobicContact CG2-CD1 3.84Å; V953-I1009 HydrophobicContact CG1-CG1 4.09Å; V953-I1009 HydrophobicContact CG2-CG1 4.3Å; V953-F1013 HydrophobicContact CG1-CE2 4.21Å
954K78.7Confident71.9Confident78 Ų7836.9 Ų36.934%0.33920%0.199SC..Hα-helixtrans-73.3-47.8-177.2-174.9-176.2176.3-161.40112.5I950 M951 F952 Y1008I950-K954 WeakPolarHBondContact O-CB 3.24Å; I950-K954 PolarHBondContact O-N 3.05Å; M951-K954 PolarHBondContact O-N 3.44Å; F952-K954 PolarHBondContact O-N 3.47Å; K954-Y1008 HydrophobicContact CD-CE1 4.44Å; K954-Y1008 HydrophobicContact CG-CE1 4.22Å
955Y73.3Confident70.9Confident80 Ų8045.1 Ų45.131%0.31424%0.235SC..Hα-helixtrans-100.1-23.5-169.8-64.4-68.1000114.1L894 F897 M951 P957L894-Y955 HydrophobicContact CD1-CE2 4.27Å; F897-Y955 HydrophobicContact CB-CD2 4.26Å; F897-Y955 HydrophobicContact CB-CG 4.29Å; F897-Y955 HydrophobicContact CD2-CD2 4.35Å; F897-Y955 HydrophobicContact CG-CD2 4.47Å; M951-Y955 WeakPolarHBondContact O-CD2 3.42Å; M951-Y955 PolarHBondContact O-N 3.33Å; Y955-P957 VanDerWaalsContact C-CD 3.43Å
956V72.3Confident69.4Low6 Ų655.6 Ų55.64%0.03627%0.274CS..  trans-131.655.7-173.3-1620000112.3F897 A902 I906 F952 C958 H959F897-V956 HydrophobicContact CD1-CG2 4.47Å; F897-V956 HydrophobicContact CE1-CG2 3.95Å; F897-V956 HydrophobicContact CZ-CG2 4.42Å; A902-V956 HydrophobicContact CB-CG2 4.42Å; I906-V956 HydrophobicContact CD1-CB 4.21Å; I906-V956 HydrophobicContact CD1-CG1 3.76Å; I906-V956 HydrophobicContact CD1-CG2 3.72Å; F952-V956 CarbonylContact O-C 3.47Å; F952-V956 WeakPolarHBondContact O-CA 3.27Å; F952-V956 PolarHBondContact O-N 2.9Å; V956-C958 PolarHBondContact O-N 3.45Å; V956-H959 HydrophobicContact CG1-CB 3.91Å; V956-H959 WeakPolarHBondContact CG1-CD2 3.46Å
957P70.2Confident67.3Low35 Ų3563 Ų6323%0.22731%0.313CS..G310 helixtrans-68-32.2-176.227.5-34.3000113.4Y955 H959 I960 F961 F1013Y955-P957 VanDerWaalsContact C-CD 3.43Å; P957-H959 VanDerWaalsContact C-N 3.34Å; P957-H959 PolarHBondContact O-N 3.45Å; P957-I960 PolarHBondContact O-N 3.27Å; P957-I960 VanDerWaalsContact O-N 3.12Å; P957-F961 PolarHBondContact O-N 3.35Å; P957-F1013 HydrophobicContact CB-CE1 3.96Å; P957-F1013 HydrophobicContact CB-CZ 3.76Å
958C66.1Low65.4Low72 Ų7263.3 Ų63.349%0.48634%0.335SS..G310 helixtrans-64.6-30.4-176.942.60000114.2V956V956-C958 PolarHBondContact O-N 3.45Å
959H64.2Low63.1Low60 Ų6073.2 Ų73.228%0.27838%0.381SS..G310 helixtrans-84.7-9.1176.2-68.1-86000113.4G908 V956 P957G908-H959 PolarHBondContact O-CE1 2.92Å; V956-H959 HydrophobicContact CG1-CB 3.91Å; V956-H959 WeakPolarHBondContact CG1-CD2 3.46Å; P957-H959 VanDerWaalsContact C-N 3.34Å; P957-H959 PolarHBondContact O-N 3.45Å
960I63.5Low61.1Low5 Ų576.4 Ų76.43%0.02641%0.414CS..THydrogen-bonded Turntrans-95.1-45.2175.1-59.6172000110.4V921 F952 V953 P957 L976 L977 F980 F1013V921-I960 HydrophobicContact CG1-CG1 4.36Å; F952-I960 HydrophobicContact CB-CD1 4.23Å; V953-I960 HydrophobicContact CG2-CD1 3.93Å; P957-I960 PolarHBondContact O-N 3.27Å; P957-I960 VanDerWaalsContact O-N 3.12Å; I960-L976 HydrophobicContact CG2-CB 4.39Å; I960-L977 HydrophobicContact CG2-CD1 4.31Å; I960-F980 HydrophobicContact CD1-CE2 4.47Å; I960-F980 HydrophobicContact CG1-CE2 4.5Å; I960-F980 HydrophobicContact CG2-CD2 4.26Å; I960-F1013 HydrophobicContact CB-CZ 4.24Å; I960-F1013 HydrophobicContact CG2-CZ 4.31Å
961F64.2Low59.4Low72 Ų7285.6 Ų85.632%0.31645%0.453SS..  trans-163.6123.6177.5-175-102.5000110.9P957 N975 L977 F1013P957-F961 PolarHBondContact O-N 3.35Å; F961-N975 WeakPolarHBondContact CD2-OD1 3.36Å; F961-N975 WeakPolarHBondContact CE2-OD1 3.46Å; F961-L977 HydrophobicContact CB-CD1 4.36Å; F961-F1013 HydrophobicContact CB-CD1 4.03Å; F961-F1013 HydrophobicContact CB-CE1 3.78Å; F961-F1013 HydrophobicContact CB-CZ 4.45Å; F961-F1013 AromaticContact CD1-CD1 3.92Å; F961-F1013 HydrophobicContact CD1-CD1 3.92Å; F961-F1013 HydrophobicContact CD1-CE1 4.45Å; F961-F1013 HydrophobicContact CG-CD1 4.45Å; F961-F1013 VanDerWaalsContact O-CE1 3.31Å; F961-F1013 WeakPolarHBondContact O-CE1 3.43Å
962D61.4Low57.9Low67 Ų6792.1 Ų92.136%0.35849%0.488SS..  trans-103.6112.3177.8-168.3-13.9000110.6S964D962-S964 PolarHBondContact O-N 3.39Å; D962-S964 WeakPolarHBondContact OD1-CB 3.44Å; D962-S964 PolarHBondContact OD1-N 3.23Å; D962-S964 PolarHBondContact OD1-OG 2.9Å; D962-S964 PolarHBondContact OD2-OG 2.96Å
963P55Low56.2Low92 Ų9296.5 Ų96.560%0.59752%0.519SS*.THydrogen-bonded Turntrans-69.7-11.2-176.727.3-33.2000113.9
964S53.8Low55.1Low90 Ų90100 Ų10063%0.62954%0.542SS*.THydrogen-bonded Turntrans-77.7-19.5-177650000114.6D962 R966D962-S964 PolarHBondContact O-N 3.39Å; D962-S964 WeakPolarHBondContact OD1-CB 3.44Å; D962-S964 PolarHBondContact OD1-N 3.23Å; D962-S964 PolarHBondContact OD1-OG 2.9Å; D962-S964 PolarHBondContact OD2-OG 2.96Å; S964-R966 PolarHBondContact O-N 3.38Å
965K52.2Low54.3Low174 Ų174101.7 Ų101.776%0.75755%0.554SS**  trans-93.154.2-177.4-65.8-173.5179.41800113.7
966R45.7Very low53.9Low224 Ų22498.4 Ų98.485%0.84554%0.542SS*.  trans-87.2-8.8-175.5-123.4-178.8-172177.84.2116S964S964-R966 PolarHBondContact O-N 3.38Å
967N36.6Very low53.8Low155 Ų15599.9 Ų99.983%0.82955%0.549SS*.SBendtrans-121.1125-175.8-65.1-12.7000111
968G39Very low54Low74 Ų74107.3 Ų107.376%0.76357%0.573SS**SBendtrans16.8130.3170.800000121.3
969E32.6Very low54.2Low210 Ų210104.6 Ų104.698%0.98156%0.555SS**  trans99.996.7167-56.5-175.8177.900116.4
970G37.4Very low54.7Low66 Ų66101.8 Ų101.868%0.6854%0.542SS*.  trans152.578.7166.200000115.1N972G970-N972 PolarHBondContact O-N 3.04Å; G970-N972 VanDerWaalsContact O-N 3.1Å
971K44.3Very low55.3Low215 Ų215103.8 Ų103.894%0.93555%0.552SS**THydrogen-bonded Turntrans-719.8178.5-88.2-177.3176.3176.90115.9
972N46.4Very low55.8Low158 Ų158104.5 Ų104.585%0.84556%0.558SS**THydrogen-bonded Turntrans-118.710-167.2-72.9-4.7000117.1G970G970-N972 PolarHBondContact O-N 3.04Å; G970-N972 VanDerWaalsContact O-N 3.1Å
973S46.8Very low56.4Low92 Ų92101.4 Ų101.464%0.64354%0.541SS*.SBendtrans-97.9118.7169.257.30000111N975S973-N975 PolarHBondContact O-N 2.81Å
974P53.5Low57.3Low75 Ų7597 Ų9749%0.48751%0.513SS..  trans-69.5127.7-179.227.8-32.2000110.4Y922 L976Y922-P974 HydrophobicContact CD2-CG 4.09Å; Y922-P974 HydrophobicContact CE2-CB 4.46Å; Y922-P974 HydrophobicContact CE2-CG 4.18Å; P974-L976 VanDerWaalsContact C-N 3.27Å; P974-L976 HydrophobicContact CB-CG 4.38Å; P974-L976 HydrophobicContact CG-CD1 4.47Å; P974-L976 HydrophobicContact CG-CG 4.3Å; P974-L976 PolarHBondContact O-N 3.27Å
975N61.4Low58.3Low114 Ų11495.3 Ų95.361%0.6149%0.492SS*.  trans-72.279.2176.2-118.4-12.3000110F961 S973 L977F961-N975 WeakPolarHBondContact CD2-OD1 3.36Å; F961-N975 WeakPolarHBondContact CE2-OD1 3.46Å; S973-N975 PolarHBondContact O-N 2.81Å; N975-L977 PolarHBondContact O-N 3.45Å
976L65.1Low59Low11 Ų1190.6 Ų90.66%0.05848%0.475CS..THydrogen-bonded Turntrans-71.9-10.4-174.7-70.2169.1000113.5Y922 A925 I960 P974 R978 P979 F980Y922-L976 HydrophobicContact CD2-CD2 4.24Å; A925-L976 HydrophobicContact CB-CD2 3.77Å; I960-L976 HydrophobicContact CG2-CB 4.39Å; P974-L976 VanDerWaalsContact C-N 3.27Å; P974-L976 HydrophobicContact CB-CG 4.38Å; P974-L976 HydrophobicContact CG-CD1 4.47Å; P974-L976 HydrophobicContact CG-CG 4.3Å; P974-L976 PolarHBondContact O-N 3.27Å; L976-R978 VanDerWaalsContact C-N 3.28Å; L976-R978 PolarHBondContact O-N 3.19Å; L976-P979 VanDerWaalsContact O-CD 3.28Å; L976-P979 WeakPolarHBondContact O-CD 3.24Å; L976-F980 VanDerWaalsContact O-CD2 3.28Å; L976-F980 WeakPolarHBondContact O-CD2 3.44Å
977L70.3Confident59.9Low36 Ų3681 Ų8119%0.18844%0.439CS..Hα-helixtrans-58.3-36.2178-164.982.7000113.2I960 F961 N975 F980 L981 I1009 F1013I960-L977 HydrophobicContact CG2-CD1 4.31Å; F961-L977 HydrophobicContact CB-CD1 4.36Å; N975-L977 PolarHBondContact O-N 3.45Å; L977-F980 PolarHBondContact O-N 3.4Å; L977-L981 WeakPolarHBondContact O-CB 3.38Å; L977-L981 PolarHBondContact O-N 3.44Å; L977-I1009 HydrophobicContact CD1-CG2 4.29Å; L977-F1013 HydrophobicContact CD1-CB 4.39Å; L977-F1013 HydrophobicContact CD1-CD1 4.35Å; L977-F1013 HydrophobicContact CD1-CD2 3.46Å; L977-F1013 VanDerWaalsContact CD1-CD2 3.46Å; L977-F1013 HydrophobicContact CD1-CE2 3.66Å; L977-F1013 HydrophobicContact CD1-CG 3.82Å; L977-F1013 HydrophobicContact CD1-CZ 4.2Å
978R73.7Confident61.1Low191 Ų19174.5 Ų74.572%0.72140%0.404SS*.Hα-helixtrans-66.6-47.9-174.8-179-179.8-176.8-175.40.7112.8L976 F980 L981 M982L976-R978 VanDerWaalsContact C-N 3.28Å; L976-R978 PolarHBondContact O-N 3.19Å; R978-F980 PolarHBondContact O-N 3.18Å; R978-L981 PolarHBondContact O-N 3.39Å; R978-M982 HydrophobicContact CG-CG 4.17Å; R978-M982 WeakPolarHBondContact O-CB 3.43Å; R978-M982 VanDerWaalsContact O-CG 3.29Å; R978-M982 WeakPolarHBondContact O-CG 3.49Å; R978-M982 PolarHBondContact O-N 3.45Å
979P72.1Confident62Low16 Ų1677.7 Ų77.710%0.10440%0.399CS..Hα-helixtrans-54.7-44.9172.8-28.831.1000114.6L929 E930 L976 F983L929-P979 HydrophobicContact CB-CB 4.07Å; E930-P979 HydrophobicContact CG-CB 4.34Å; E930-P979 HydrophobicContact CG-CG 4.09Å; L976-P979 VanDerWaalsContact O-CD 3.28Å; L976-P979 WeakPolarHBondContact O-CD 3.24Å; P979-F983 WeakPolarHBondContact O-CB 3.44Å; P979-F983 PolarHBondContact O-N 3.4Å
980F74.7Confident62.7Low1 Ų174.7 Ų74.70%0.00439%0.385CS..Hα-helixtrans-65.8-38.9178-75.9-81.5000112.3V921 F924 A925 L929 F952 I960 L976 L977 R978 A984 I1009V921-F980 HydrophobicContact CG1-CZ 4.41Å; F924-F980 HydrophobicContact CD1-CE1 4.45Å; F924-F980 HydrophobicContact CD1-CZ 4.3Å; F924-F980 HydrophobicContact CE1-CE1 4.19Å; F924-F980 HydrophobicContact CE1-CZ 4.5Å; A925-F980 HydrophobicContact CB-CE2 4.48Å; L929-F980 HydrophobicContact CD1-CD1 3.54Å; L929-F980 HydrophobicContact CD1-CD2 4.05Å; L929-F980 HydrophobicContact CD1-CE1 3.39Å; L929-F980 HydrophobicContact CD1-CE2 3.9Å; L929-F980 HydrophobicContact CD1-CG 3.87Å; L929-F980 HydrophobicContact CD1-CZ 3.57Å; F952-F980 HydrophobicContact CD2-CZ 4.45Å; I960-F980 HydrophobicContact CD1-CE2 4.47Å; I960-F980 HydrophobicContact CG1-CE2 4.5Å; I960-F980 HydrophobicContact CG2-CD2 4.26Å; L976-F980 VanDerWaalsContact O-CD2 3.28Å; L976-F980 WeakPolarHBondContact O-CD2 3.44Å; L977-F980 PolarHBondContact O-N 3.4Å; R978-F980 PolarHBondContact O-N 3.18Å; F980-A984 PolarHBondContact O-N 3.29Å; F980-I1009 HydrophobicContact CB-CD1 4.38Å
981L75.2Confident63.2Low46 Ų4677.8 Ų77.824%0.24139%0.391CS..Hα-helixtrans-67.8-48.9176.8-169.376.7000111.4L977 R978 F983 A984 W985 I1009L977-L981 WeakPolarHBondContact O-CB 3.38Å; L977-L981 PolarHBondContact O-N 3.44Å; R978-L981 PolarHBondContact O-N 3.39Å; L981-F983 VanDerWaalsContact C-N 3.31Å; L981-F983 PolarHBondContact O-N 3.45Å; L981-A984 PolarHBondContact O-N 2.99Å; L981-W985 VanDerWaalsContact O-CB 3.25Å; L981-W985 WeakPolarHBondContact O-CB 3.37Å; L981-W985 PolarHBondContact O-N 3.08Å; L981-I1009 HydrophobicContact CD1-CD1 4.37Å; L981-I1009 HydrophobicContact CD1-CG2 4.2Å
982M73.8Confident63.4Low88 Ų8872.2 Ų72.243%0.43338%0.377SS..Hα-helixtrans-61.8-39.9178.6-69.9-62.9-58.600111.7R978 A984 W985 N986R978-M982 HydrophobicContact CG-CG 4.17Å; R978-M982 WeakPolarHBondContact O-CB 3.43Å; R978-M982 VanDerWaalsContact O-CG 3.29Å; R978-M982 WeakPolarHBondContact O-CG 3.49Å; R978-M982 PolarHBondContact O-N 3.45Å; M982-A984 VanDerWaalsContact C-N 3.33Å; M982-A984 PolarHBondContact O-N 3.04Å; M982-W985 PolarHBondContact O-N 3.32Å; M982-N986 PolarHBondContact O-N 2.93Å; M982-N986 VanDerWaalsContact O-N 3.1Å; M982-N986 PolarHBondContact O-ND2 3.4Å; M982-N986 PolarHBondContact O-OD1 2.85Å
983F75.1Confident63.7Low2 Ų271 Ų711%0.00938%0.378CS..Hα-helixtrans-60.1-42.3175.4172.6-127.6000111.9L929 Y932 L945 F946 P979 L981 Y987 L1005L929-F983 HydrophobicContact CD2-CB 3.77Å; L929-F983 HydrophobicContact CD2-CD1 3.28Å; L929-F983 HydrophobicContact CD2-CD2 4.21Å; L929-F983 HydrophobicContact CD2-CE1 3.89Å; L929-F983 HydrophobicContact CD2-CG 3.46Å; L929-F983 VanDerWaalsContact CD2-CG 3.46Å; Y932-F983 AromaticContact CD1-CD2 3.96Å; Y932-F983 HydrophobicContact CD1-CD2 3.96Å; Y932-F983 HydrophobicContact CD1-CE2 4.17Å; Y932-F983 AromaticContact CD2-CD2 3.84Å; Y932-F983 HydrophobicContact CD2-CD2 3.84Å; Y932-F983 HydrophobicContact CD2-CE2 4.39Å; Y932-F983 AromaticContact CE1-CD2 3.53Å; Y932-F983 HydrophobicContact CE1-CD2 3.53Å; Y932-F983 AromaticContact CE1-CE2 3.29Å; Y932-F983 HydrophobicContact CE1-CE2 3.29Å; Y932-F983 HydrophobicContact CE1-CZ 4.42Å; Y932-F983 AromaticContact CE2-CD2 3.38Å; Y932-F983 HydrophobicContact CE2-CD2 3.38Å; Y932-F983 AromaticContact CE2-CE2 3.56Å; Y932-F983 HydrophobicContact CE2-CE2 3.56Å; Y932-F983 HydrophobicContact CE2-CG 4.17Å; Y932-F983 HydrophobicContact CE2-CZ 4.33Å; Y932-F983 HydrophobicContact CG-CD2 4.13Å; Y932-F983 AromaticContact CZ-CD2 3.25Å; Y932-F983 AromaticContact CZ-CE2 2.94Å; Y932-F983 AromaticContact CZ-CZ 3.78Å; Y932-F983 WeakPolarHBondContact OH-CE2 3.43Å; Y932-F983 VanDerWaalsContact OH-CZ 3.27Å; Y932-F983 WeakPolarHBondContact OH-CZ 3.19Å; L945-F983 HydrophobicContact CB-CZ 4.47Å; F946-F983 HydrophobicContact CD1-CD1 4.39Å; F946-F983 AromaticContact CD1-CE1 3.62Å; F946-F983 HydrophobicContact CD1-CE1 3.62Å; F946-F983 AromaticContact CD1-CZ 3.91Å; F946-F983 HydrophobicContact CD1-CZ 3.91Å; F946-F983 HydrophobicContact CD2-CZ 4.17Å; F946-F983 HydrophobicContact CE1-CD1 4.06Å; F946-F983 AromaticContact CE1-CE1 3.54Å; F946-F983 HydrophobicContact CE1-CE1 3.54Å; F946-F983 HydrophobicContact CE1-CE2 4.22Å; F946-F983 AromaticContact CE1-CZ 3.64Å; F946-F983 HydrophobicContact CE1-CZ 3.64Å; F946-F983 HydrophobicContact CE2-CE2 4.39Å; F946-F983 AromaticContact CE2-CZ 3.92Å; F946-F983 HydrophobicContact CE2-CZ 3.92Å; F946-F983 HydrophobicContact CG-CE1 4.18Å; F946-F983 HydrophobicContact CG-CZ 4.16Å; F946-F983 HydrophobicContact CZ-CE1 4.06Å; F946-F983 AromaticContact CZ-CE2 3.95Å; F946-F983 HydrophobicContact CZ-CE2 3.95Å; F946-F983 AromaticContact CZ-CZ 3.64Å; F946-F983 HydrophobicContact CZ-CZ 3.64Å; P979-F983 WeakPolarHBondContact O-CB 3.44Å; P979-F983 PolarHBondContact O-N 3.4Å; L981-F983 VanDerWaalsContact C-N 3.31Å; L981-F983 PolarHBondContact O-N 3.45Å; F983-Y987 AromaticContact CD2-CE2 3.97Å; F983-Y987 HydrophobicContact CD2-CE2 3.97Å; F983-Y987 HydrophobicContact CE2-CD2 4.5Å; F983-Y987 AromaticContact CE2-CE2 3.59Å; F983-Y987 HydrophobicContact CE2-CE2 3.59Å; F983-Y987 WeakPolarHBondContact O-CD2 3.41Å; F983-Y987 WeakPolarHBondContact O-CE2 3.19Å; F983-L1005 HydrophobicContact CD1-CD2 4.27Å
984A73.2Confident63.9Low0 Ų071.8 Ų71.80%037%0.369CS..Hα-helixtrans-74.3-35.1176.800000113.1F980 L981 M982 Y987 L1005 I1006F980-A984 PolarHBondContact O-N 3.29Å; L981-A984 PolarHBondContact O-N 2.99Å; M982-A984 VanDerWaalsContact C-N 3.33Å; M982-A984 PolarHBondContact O-N 3.04Å; A984-Y987 PolarHBondContact O-N 3.33Å; A984-L1005 HydrophobicContact CB-CB 4.32Å; A984-L1005 HydrophobicContact CB-CD2 3.89Å; A984-L1005 HydrophobicContact CB-CG 4.21Å; A984-I1006 HydrophobicContact CB-CD1 4.04Å; A984-I1006 HydrophobicContact CB-CG1 3.53Å
985W74.8Confident64.4Low53 Ų5370.9 Ų70.920%0.20136%0.36CS..Hα-helixtrans-69.6-39.3-175.1-162.4-95.1000113.1L981 M982 Y987 M988 I1006 V1019L981-W985 VanDerWaalsContact O-CB 3.25Å; L981-W985 WeakPolarHBondContact O-CB 3.37Å; L981-W985 PolarHBondContact O-N 3.08Å; M982-W985 PolarHBondContact O-N 3.32Å; W985-Y987 PolarHBondContact O-N 3.45Å; W985-M988 WeakPolarHBondContact O-CB 3.47Å; W985-M988 PolarHBondContact O-N 3.47Å; W985-I1006 HydrophobicContact CE3-CD1 4.11Å; W985-V1019 HydrophobicContact CH2-CG1 4.45Å; W985-V1019 HydrophobicContact CZ3-CG1 3.84Å
986N67.7Low64.5Low75 Ų7568.3 Ų68.340%0.40135%0.35SS..THydrogen-bonded Turntrans-62.6-8.8179.8-68.7-6.5000114.1M982M982-N986 PolarHBondContact O-N 2.93Å; M982-N986 VanDerWaalsContact O-N 3.1Å; M982-N986 PolarHBondContact O-ND2 3.4Å; M982-N986 PolarHBondContact O-OD1 2.85Å
987Y65.2Low64.5Low22 Ų2270.4 Ų70.49%0.08636%0.361CS..THydrogen-bonded Turntrans-99.9-0.2176.4-71.1-94.9000113.7Y932 Q942 F946 F983 A984 W985 K994Y932-Y987 HydrophobicContact CE1-CE2 4.29Å; Y932-Y987 WeakPolarHBondContact CE1-OH 3.47Å; Q942-Y987 VanDerWaalsContact CD-OH 3.29Å; Q942-Y987 PolarHBondContact OE1-OH 2.94Å; F946-Y987 HydrophobicContact CE2-CD1 4.45Å; F946-Y987 HydrophobicContact CE2-CD2 4.3Å; F946-Y987 HydrophobicContact CE2-CE1 4.38Å; F946-Y987 HydrophobicContact CE2-CE2 4.22Å; F946-Y987 HydrophobicContact CE2-CG 4.39Å; F946-Y987 HydrophobicContact CZ-CD1 4.46Å; F946-Y987 AromaticContact CZ-CD2 3.63Å; F946-Y987 HydrophobicContact CZ-CD2 3.63Å; F946-Y987 AromaticContact CZ-CE2 3.79Å; F946-Y987 HydrophobicContact CZ-CE2 3.79Å; F946-Y987 AromaticContact CZ-CG 3.96Å; F946-Y987 HydrophobicContact CZ-CG 3.96Å; F983-Y987 AromaticContact CD2-CE2 3.97Å; F983-Y987 HydrophobicContact CD2-CE2 3.97Å; F983-Y987 HydrophobicContact CE2-CD2 4.5Å; F983-Y987 AromaticContact CE2-CE2 3.59Å; F983-Y987 HydrophobicContact CE2-CE2 3.59Å; F983-Y987 WeakPolarHBondContact O-CD2 3.41Å; F983-Y987 WeakPolarHBondContact O-CE2 3.19Å; A984-Y987 PolarHBondContact O-N 3.33Å; W985-Y987 PolarHBondContact O-N 3.45Å; Y987-K994 HydrophobicContact CD1-CD 4.15Å; Y987-K994 HydrophobicContact CE1-CD 4.23Å
988M60.3Low64.4Low20 Ų2068.7 Ų68.710%0.09935%0.352CS..THydrogen-bonded Turntrans-88.6-33.7175.7-70.2-69.4-68.400112.7W985 R999 Q1003 I1006 M1023 H1026W985-M988 WeakPolarHBondContact O-CB 3.47Å; W985-M988 PolarHBondContact O-N 3.47Å; M988-R999 PolarHBondContact O-NH2 3.09Å; M988-Q1003 HydrophobicContact CE-CG 4.34Å; M988-Q1003 HydrophobicContact SD-CG 3.52Å; M988-Q1003 VanDerWaalsContact SD-CG 3.52Å; M988-I1006 HydrophobicContact CG-CD1 4.2Å; M988-M1023 HydrophobicContact CE-CG 4.17Å; M988-H1026 HydrophobicContact CE-CB 4.11Å
989E57.8Low64.3Low141 Ų14163.9 Ų63.966%0.65933%0.334SS*.SBendtrans-64132.9-178-69.9-178.3171.700113.1T991E989-T991 PolarHBondContact O-N 3.05Å; E989-T991 VanDerWaalsContact O-N 3.16Å
990E48.7Very low64.2Low146 Ų14663.4 Ų63.468%0.68233%0.331SS*.  trans-7892-177.4-68.9-171.5152.100111.8
991T46.6Very low64.1Low131 Ų13164.3 Ų64.380%0.80434%0.335SS*.  trans173.9131.3151.335.30000109.9E989E989-T991 PolarHBondContact O-N 3.05Å; E989-T991 VanDerWaalsContact O-N 3.16Å
992P48.4Very low64.1Low98 Ų9862.2 Ų62.264%0.63633%0.325SS*.SBendcis-102.3-169-16.244.5-32.3000111.2K994P992-K994 PolarHBondContact O-N 3.08Å; P992-K994 VanDerWaalsContact O-N 3.15Å
993P52.6Low64.1Low134 Ų13458.1 Ų58.187%0.8731%0.305SS*.  trans-73.5114-164.432.4-30.9000111.2
994K52.5Low64.2Low107 Ų10758.4 Ų58.447%0.46531%0.306SS..  trans-108.5152.7171.4-65.7179.6-177.81700109.2Y987 P992Y987-K994 HydrophobicContact CD1-CD 4.15Å; Y987-K994 HydrophobicContact CE1-CD 4.23Å; P992-K994 PolarHBondContact O-N 3.08Å; P992-K994 VanDerWaalsContact O-N 3.15Å
995D62.1Low64.4Low56 Ų5658.4 Ų58.430%0.29931%0.306SS..  trans-45.6126.6-177.8-174.2-18000112L997 L998 R999D995-L997 PolarHBondContact O-N 2.96Å; D995-L997 VanDerWaalsContact O-N 3.09Å; D995-L997 WeakPolarHBondContact OD1-CB 3.3Å; D995-L997 PolarHBondContact OD1-N 3.27Å; D995-L998 HydrophobicContact CB-CB 4.48Å; D995-L998 HydrophobicContact CB-CD1 4.09Å; D995-L998 HydrophobicContact CB-CG 4.49Å; D995-L998 WeakPolarHBondContact O-CB 3.48Å; D995-L998 PolarHBondContact O-N 3.21Å; D995-L998 VanDerWaalsContact O-N 3.08Å; D995-R999 PolarHBondContact O-N 3.37Å
996P65Low64.5Low61 Ų6155.9 Ų55.940%0.39630%0.297SS..Hα-helixtrans-48.1-37.5175.9-26.131.5000113.1L998 R999 C1000P996-L998 VanDerWaalsContact C-N 3.34Å; P996-L998 PolarHBondContact O-N 3.37Å; P996-R999 WeakPolarHBondContact O-CB 3.33Å; P996-R999 PolarHBondContact O-N 3.35Å; P996-C1000 PolarHBondContact O-N 3.49Å; P996-C1000 PolarHBondContact O-SG 3.06Å
997L64.6Low64.9Low54 Ų5452.3 Ų52.328%0.28328%0.278SS..Hα-helixtrans-67-33.7-175.8-129129.6000112.8L943 D995 H1001 I1038L943-L997 HydrophobicContact CD1-CB 4.26Å; L943-L997 HydrophobicContact CD1-CD2 3.78Å; D995-L997 PolarHBondContact O-N 2.96Å; D995-L997 VanDerWaalsContact O-N 3.09Å; D995-L997 WeakPolarHBondContact OD1-CB 3.3Å; D995-L997 PolarHBondContact OD1-N 3.27Å; L997-H1001 PolarHBondContact O-N 3.42Å; L997-H1001 PolarHBondContact O-ND1 3.32Å; L997-I1038 HydrophobicContact CD2-CD1 3.73Å; L997-I1038 HydrophobicContact CG-CD1 4.02Å
998L68.6Low65.4Low1 Ų152.2 Ų52.21%0.00528%0.278CS..Hα-helixtrans-69-42.9174.8-87165000111.8D939 Q942 L943 F946 D995 P996 C1000 H1001 G1002D939-L998 HydrophobicContact CB-CD1 3.51Å; D939-L998 WeakPolarHBondContact OD1-CD1 3.32Å; Q942-L998 HydrophobicContact CB-CD1 4.33Å; Q942-L998 HydrophobicContact CB-CD2 3.44Å; Q942-L998 VanDerWaalsContact CB-CD2 3.44Å; L943-L998 HydrophobicContact CB-CD2 4.15Å; L943-L998 HydrophobicContact CD1-CD2 4.22Å; L943-L998 HydrophobicContact CD1-CG 4.16Å; F946-L998 HydrophobicContact CD2-CD2 3.72Å; F946-L998 HydrophobicContact CE2-CD2 3.84Å; D995-L998 HydrophobicContact CB-CB 4.48Å; D995-L998 HydrophobicContact CB-CD1 4.09Å; D995-L998 HydrophobicContact CB-CG 4.49Å; D995-L998 WeakPolarHBondContact O-CB 3.48Å; D995-L998 PolarHBondContact O-N 3.21Å; D995-L998 VanDerWaalsContact O-N 3.08Å; P996-L998 VanDerWaalsContact C-N 3.34Å; P996-L998 PolarHBondContact O-N 3.37Å; L998-C1000 VanDerWaalsContact C-N 3.31Å; L998-C1000 PolarHBondContact O-N 2.63Å; L998-H1001 PolarHBondContact O-N 3.45Å; L998-G1002 PolarHBondContact O-N 2.96Å
999R71.1Confident66.2Low89 Ų8951.3 Ų51.334%0.33627%0.273SS..Hα-helixtrans-61.2-43.8175.5-154175.5-147.7175.5-1.8110.8M988 D995 P996 G1002 Q1003M988-R999 PolarHBondContact O-NH2 3.09Å; D995-R999 PolarHBondContact O-N 3.37Å; P996-R999 WeakPolarHBondContact O-CB 3.33Å; P996-R999 PolarHBondContact O-N 3.35Å; R999-G1002 PolarHBondContact O-N 2.95Å; R999-Q1003 WeakPolarHBondContact O-CG 3.31Å; R999-Q1003 PolarHBondContact O-N 3.33Å
1000C69.6Low67Low6 Ų645 Ų454%0.04124%0.244CC..Hα-helixtrans-63.2-41.7176-60.20000111.7P996 L998 Q1003 V1004 I1038 N1039P996-C1000 PolarHBondContact O-N 3.49Å; P996-C1000 PolarHBondContact O-SG 3.06Å; L998-C1000 VanDerWaalsContact C-N 3.31Å; L998-C1000 PolarHBondContact O-N 2.63Å; C1000-Q1003 CarbonylContact O-C 3.27Å; C1000-Q1003 WeakPolarHBondContact O-CB 3.24Å; C1000-Q1003 PolarHBondContact O-N 3.43Å; C1000-V1004 VanDerWaalsContact O-CG2 3.32Å; C1000-V1004 WeakPolarHBondContact O-CG2 3.37Å; C1000-V1004 PolarHBondContact O-N 3.41Å; C1000-I1038 HydrophobicContact CB-CG2 3.81Å; C1000-N1039 PolarHBondContact SG-OD1 2.94Å
1001H72.4Confident68Low20 Ų2041.9 Ų41.99%0.09323%0.226CC..Hα-helixtrans-68-34.8176.4-8363.2000113.2F946 L997 L998 Q1003 V1004 L1005F946-H1001 HydrophobicContact CB-CB 4.06Å; F946-H1001 HydrophobicContact CD2-CB 4.49Å; F946-H1001 HydrophobicContact CG-CB 4.24Å; L997-H1001 PolarHBondContact O-N 3.42Å; L997-H1001 PolarHBondContact O-ND1 3.32Å; L998-H1001 PolarHBondContact O-N 3.45Å; H1001-Q1003 VanDerWaalsContact C-N 3.34Å; H1001-V1004 WeakPolarHBondContact O-CB 3.35Å; H1001-V1004 PolarHBondContact O-N 2.82Å; H1001-L1005 PolarHBondContact O-N 3.46Å
1002G75.5Confident69.2Low2 Ų239.6 Ų39.62%0.02121%0.205CC..Hα-helixtrans-59.7-44.8168.800000111.7L998 R999 V1004 L1005 I1006L998-G1002 PolarHBondContact O-N 2.96Å; R999-G1002 PolarHBondContact O-N 2.95Å; G1002-V1004 PolarHBondContact O-N 3.28Å; G1002-L1005 PolarHBondContact O-N 3.17Å; G1002-I1006 WeakPolarHBondContact O-CG1 3.34Å; G1002-I1006 PolarHBondContact O-N 3.25Å; G1002-I1006 VanDerWaalsContact O-N 3.07Å
1003Q74.9Confident70.2Confident3 Ų336.1 Ų36.11%0.01418%0.18CC..Hα-helixtrans-64.9-36.6174.7-68.1170.9-12.800112.9M988 R999 C1000 H1001 I1006 A1007 M1023 L1027 V1042M988-Q1003 HydrophobicContact CE-CG 4.34Å; M988-Q1003 HydrophobicContact SD-CG 3.52Å; M988-Q1003 VanDerWaalsContact SD-CG 3.52Å; R999-Q1003 WeakPolarHBondContact O-CG 3.31Å; R999-Q1003 PolarHBondContact O-N 3.33Å; C1000-Q1003 CarbonylContact O-C 3.27Å; C1000-Q1003 WeakPolarHBondContact O-CB 3.24Å; C1000-Q1003 PolarHBondContact O-N 3.43Å; H1001-Q1003 VanDerWaalsContact C-N 3.34Å; Q1003-I1006 PolarHBondContact O-N 3.06Å; Q1003-A1007 VanDerWaalsContact O-CB 3.31Å; Q1003-A1007 WeakPolarHBondContact O-CB 3.36Å; Q1003-A1007 PolarHBondContact O-N 2.63Å; Q1003-M1023 HydrophobicContact CB-CE 4.37Å; Q1003-L1027 VanDerWaalsContact OE1-CD2 3.22Å; Q1003-V1042 HydrophobicContact CB-CG1 4.12Å; Q1003-V1042 HydrophobicContact CB-CG2 4.3Å
1004V76Confident70.7Confident7 Ų735.7 Ų35.74%0.04217%0.17CC..Hα-helixtrans-60.1-47.8172.4173.80000110.5I950 C1000 H1001 G1002 I1006 A1007 Y1008 I1038 V1042I950-V1004 HydrophobicContact CD1-CB 4.16Å; I950-V1004 HydrophobicContact CD1-CG1 3.79Å; I950-V1004 HydrophobicContact CG1-CG1 4.31Å; C1000-V1004 VanDerWaalsContact O-CG2 3.32Å; C1000-V1004 WeakPolarHBondContact O-CG2 3.37Å; C1000-V1004 PolarHBondContact O-N 3.41Å; H1001-V1004 WeakPolarHBondContact O-CB 3.35Å; H1001-V1004 PolarHBondContact O-N 2.82Å; G1002-V1004 PolarHBondContact O-N 3.28Å; V1004-I1006 VanDerWaalsContact C-N 3.35Å; V1004-I1006 PolarHBondContact O-N 2.73Å; V1004-A1007 PolarHBondContact O-N 3.03Å; V1004-Y1008 HydrophobicContact CG1-CD2 3.56Å; V1004-Y1008 HydrophobicContact CG1-CE2 3.57Å; V1004-Y1008 WeakPolarHBondContact O-CD2 3.44Å; V1004-Y1008 PolarHBondContact O-N 2.88Å; V1004-I1038 HydrophobicContact CG2-CG2 3.6Å; V1004-V1042 HydrophobicContact CB-CG2 4.04Å; V1004-V1042 HydrophobicContact CG2-CG2 3.19Å
1005L77.4Confident71.1Confident0 Ų032.1 Ų32.10%016%0.158CC..Hα-helixtrans-61-44.7-179.4-177.260.6000110.9F946 I950 V953 F983 A984 H1001 G1002 Y1008 I1009F946-L1005 HydrophobicContact CD1-CD2 3.99Å; F946-L1005 HydrophobicContact CE1-CD2 4.23Å; I950-L1005 HydrophobicContact CG1-CB 4Å; I950-L1005 HydrophobicContact CG1-CD1 3.88Å; I950-L1005 HydrophobicContact CG1-CG 4.5Å; V953-L1005 HydrophobicContact CB-CD1 4.34Å; V953-L1005 HydrophobicContact CG2-CD1 3.84Å; F983-L1005 HydrophobicContact CD1-CD2 4.27Å; A984-L1005 HydrophobicContact CB-CB 4.32Å; A984-L1005 HydrophobicContact CB-CD2 3.89Å; A984-L1005 HydrophobicContact CB-CG 4.21Å; H1001-L1005 PolarHBondContact O-N 3.46Å; G1002-L1005 PolarHBondContact O-N 3.17Å; L1005-Y1008 PolarHBondContact O-N 2.96Å; L1005-I1009 HydrophobicContact CD1-CD1 4.45Å; L1005-I1009 HydrophobicContact CG-CD1 4.15Å; L1005-I1009 VanDerWaalsContact O-CG1 3.27Å; L1005-I1009 WeakPolarHBondContact O-CG1 3.33Å; L1005-I1009 PolarHBondContact O-N 3.27Å
1006I77.2Confident70.9Confident0 Ų037.9 Ų37.90%018%0.18CC..Hα-helixtrans-63.6-43.9175.4-58.6166.9000110.7A984 W985 M988 G1002 Q1003 V1004 Y1008 I1009 V1010 V1019 M1023A984-I1006 HydrophobicContact CB-CD1 4.04Å; A984-I1006 HydrophobicContact CB-CG1 3.53Å; W985-I1006 HydrophobicContact CE3-CD1 4.11Å; M988-I1006 HydrophobicContact CG-CD1 4.2Å; G1002-I1006 WeakPolarHBondContact O-CG1 3.34Å; G1002-I1006 PolarHBondContact O-N 3.25Å; G1002-I1006 VanDerWaalsContact O-N 3.07Å; Q1003-I1006 PolarHBondContact O-N 3.06Å; V1004-I1006 VanDerWaalsContact C-N 3.35Å; V1004-I1006 PolarHBondContact O-N 2.73Å; I1006-Y1008 VanDerWaalsContact C-N 3.32Å; I1006-Y1008 PolarHBondContact O-N 3.15Å; I1006-I1009 WeakPolarHBondContact O-CB 3.44Å; I1006-I1009 PolarHBondContact O-N 2.97Å; I1006-I1009 VanDerWaalsContact O-N 3.12Å; I1006-V1010 HydrophobicContact CG2-CG2 4.08Å; I1006-V1010 VanDerWaalsContact O-CG2 3.29Å; I1006-V1010 WeakPolarHBondContact O-CG2 3.45Å; I1006-V1010 PolarHBondContact O-N 3.46Å; I1006-V1019 HydrophobicContact CG2-CG1 3.95Å; I1006-M1023 HydrophobicContact CB-SD 3.73Å; I1006-M1023 HydrophobicContact CD1-SD 4.3Å; I1006-M1023 HydrophobicContact CG2-SD 3.28Å; I1006-M1023 WeakPolarHBondContact CG2-SD 2.98Å
1007A75.9Confident70.6Confident1 Ų137.5 Ų37.51%0.00818%0.177CC..Hα-helixtrans-60.1-39.9178.100000112.4Q1003 V1004 V1010 W1011 V1042 I1045 T1046Q1003-A1007 VanDerWaalsContact O-CB 3.31Å; Q1003-A1007 WeakPolarHBondContact O-CB 3.36Å; Q1003-A1007 PolarHBondContact O-N 2.63Å; V1004-A1007 PolarHBondContact O-N 3.03Å; A1007-V1010 PolarHBondContact O-N 3.49Å; A1007-W1011 VanDerWaalsContact O-CB 3.28Å; A1007-W1011 WeakPolarHBondContact O-CB 3.44Å; A1007-W1011 PolarHBondContact O-N 3.07Å; A1007-V1042 HydrophobicContact CB-CG1 4.02Å; A1007-I1045 HydrophobicContact CB-CB 4.26Å; A1007-I1045 HydrophobicContact CB-CG2 4.02Å; A1007-I1045 WeakPolarHBondContact O-CG2 3.26Å; A1007-T1046 WeakPolarHBondContact CB-OG1 3.49Å
1008Y76.6Confident70.8Confident20 Ų2040.2 Ų40.28%0.07819%0.186CC..Hα-helixtrans-67.7-38.4173.5-87.3-73.6000112.7I950 K954 V1004 L1005 I1006 W1011 K1012 I1045I950-Y1008 HydrophobicContact CG2-CD2 4.07Å; I950-Y1008 HydrophobicContact CG2-CE2 4.08Å; K954-Y1008 HydrophobicContact CD-CE1 4.44Å; K954-Y1008 HydrophobicContact CG-CE1 4.22Å; V1004-Y1008 HydrophobicContact CG1-CD2 3.56Å; V1004-Y1008 HydrophobicContact CG1-CE2 3.57Å; V1004-Y1008 WeakPolarHBondContact O-CD2 3.44Å; V1004-Y1008 PolarHBondContact O-N 2.88Å; L1005-Y1008 PolarHBondContact O-N 2.96Å; I1006-Y1008 VanDerWaalsContact C-N 3.32Å; I1006-Y1008 PolarHBondContact O-N 3.15Å; Y1008-W1011 AromaticContact CD1-CE3 3.78Å; Y1008-W1011 HydrophobicContact CD1-CE3 3.78Å; Y1008-W1011 HydrophobicContact CD1-CZ3 4.05Å; Y1008-W1011 HydrophobicContact CE1-CE3 4.08Å; Y1008-W1011 AromaticContact CE1-CZ3 3.99Å; Y1008-W1011 HydrophobicContact CE1-CZ3 3.99Å; Y1008-W1011 PolarHBondContact O-N 3.11Å; Y1008-K1012 WeakPolarHBondContact O-CB 3.38Å; Y1008-K1012 PolarHBondContact O-N 2.86Å; Y1008-I1045 HydrophobicContact CD2-CD1 4.03Å; Y1008-I1045 HydrophobicContact CE1-CD1 4.03Å; Y1008-I1045 HydrophobicContact CE2-CD1 3.46Å; Y1008-I1045 VanDerWaalsContact CE2-CD1 3.46Å; Y1008-I1045 VanDerWaalsContact CZ-CD1 3.44Å
1009I76.7Confident70.6Confident1 Ų140.8 Ų40.81%0.00519%0.19CC..Hα-helixtrans-62.3-47.2174.5-70166.7000110.3V953 L977 F980 L981 L1005 I1006 W1011 K1012 F1013 V1015V953-I1009 HydrophobicContact CG1-CG1 4.09Å; V953-I1009 HydrophobicContact CG2-CG1 4.3Å; L977-I1009 HydrophobicContact CD1-CG2 4.29Å; F980-I1009 HydrophobicContact CB-CD1 4.38Å; L981-I1009 HydrophobicContact CD1-CD1 4.37Å; L981-I1009 HydrophobicContact CD1-CG2 4.2Å; L1005-I1009 HydrophobicContact CD1-CD1 4.45Å; L1005-I1009 HydrophobicContact CG-CD1 4.15Å; L1005-I1009 VanDerWaalsContact O-CG1 3.27Å; L1005-I1009 WeakPolarHBondContact O-CG1 3.33Å; L1005-I1009 PolarHBondContact O-N 3.27Å; I1006-I1009 WeakPolarHBondContact O-CB 3.44Å; I1006-I1009 PolarHBondContact O-N 2.97Å; I1006-I1009 VanDerWaalsContact O-N 3.12Å; I1009-W1011 VanDerWaalsContact C-N 3.34Å; I1009-W1011 PolarHBondContact O-N 3Å; I1009-K1012 PolarHBondContact O-N 3.43Å; I1009-F1013 HydrophobicContact CG2-CD2 4.18Å; I1009-F1013 WeakPolarHBondContact O-CB 3.17Å; I1009-F1013 PolarHBondContact O-N 3.1Å; I1009-V1015 HydrophobicContact CG2-CG2 4.12Å
1010V73.7Confident70.2Confident8 Ų837 Ų375%0.04818%0.176CC..Hα-helixtrans-61.3-43.3177.5173.30000110.7I1006 A1007 N1014 V1019 I1020 A1049I1006-V1010 HydrophobicContact CG2-CG2 4.08Å; I1006-V1010 VanDerWaalsContact O-CG2 3.29Å; I1006-V1010 WeakPolarHBondContact O-CG2 3.45Å; I1006-V1010 PolarHBondContact O-N 3.46Å; A1007-V1010 PolarHBondContact O-N 3.49Å; V1010-N1014 PolarHBondContact O-N 3.05Å; V1010-V1019 HydrophobicContact CG2-CG1 4.2Å; V1010-I1020 HydrophobicContact CG1-CD1 3.89Å; V1010-I1020 HydrophobicContact CG1-CG1 3.98Å; V1010-A1049 HydrophobicContact CG1-CB 3.88Å
1011W70.6Confident69.9Low80 Ų8041 Ų4130%0.30319%0.194SC..Hα-helixtrans-68.3-40.3180177.359.8000113.9A1007 Y1008 I1009 I1045A1007-W1011 VanDerWaalsContact O-CB 3.28Å; A1007-W1011 WeakPolarHBondContact O-CB 3.44Å; A1007-W1011 PolarHBondContact O-N 3.07Å; Y1008-W1011 AromaticContact CD1-CE3 3.78Å; Y1008-W1011 HydrophobicContact CD1-CE3 3.78Å; Y1008-W1011 HydrophobicContact CD1-CZ3 4.05Å; Y1008-W1011 HydrophobicContact CE1-CE3 4.08Å; Y1008-W1011 AromaticContact CE1-CZ3 3.99Å; Y1008-W1011 HydrophobicContact CE1-CZ3 3.99Å; Y1008-W1011 PolarHBondContact O-N 3.11Å; I1009-W1011 VanDerWaalsContact C-N 3.34Å; I1009-W1011 PolarHBondContact O-N 3Å; W1011-I1045 HydrophobicContact CB-CG2 3.76Å; W1011-I1045 HydrophobicContact CG-CG2 4.13Å
1012K71Confident69.6Low83 Ų8344.4 Ų44.436%0.36121%0.21SC..Hα-helixtrans-85.4-33.8-176.8-74.5-66.1-163.2177.40114.2Y1008 I1009Y1008-K1012 WeakPolarHBondContact O-CB 3.38Å; Y1008-K1012 PolarHBondContact O-N 2.86Å; I1009-K1012 PolarHBondContact O-N 3.43Å
1013F69.1Low69.1Low26 Ų2644.4 Ų44.411%0.11421%0.21CC..Hα-helixtrans-113.51.4-171.3-57.6-70.4000115.1V953 P957 I960 F961 L977 I1009 V1015V953-F1013 HydrophobicContact CG1-CE2 4.21Å; P957-F1013 HydrophobicContact CB-CE1 3.96Å; P957-F1013 HydrophobicContact CB-CZ 3.76Å; I960-F1013 HydrophobicContact CB-CZ 4.24Å; I960-F1013 HydrophobicContact CG2-CZ 4.31Å; F961-F1013 HydrophobicContact CB-CD1 4.03Å; F961-F1013 HydrophobicContact CB-CE1 3.78Å; F961-F1013 HydrophobicContact CB-CZ 4.45Å; F961-F1013 AromaticContact CD1-CD1 3.92Å; F961-F1013 HydrophobicContact CD1-CD1 3.92Å; F961-F1013 HydrophobicContact CD1-CE1 4.45Å; F961-F1013 HydrophobicContact CG-CD1 4.45Å; F961-F1013 VanDerWaalsContact O-CE1 3.31Å; F961-F1013 WeakPolarHBondContact O-CE1 3.43Å; L977-F1013 HydrophobicContact CD1-CB 4.39Å; L977-F1013 HydrophobicContact CD1-CD1 4.35Å; L977-F1013 HydrophobicContact CD1-CD2 3.46Å; L977-F1013 VanDerWaalsContact CD1-CD2 3.46Å; L977-F1013 HydrophobicContact CD1-CE2 3.66Å; L977-F1013 HydrophobicContact CD1-CG 3.82Å; L977-F1013 HydrophobicContact CD1-CZ 4.2Å; I1009-F1013 HydrophobicContact CG2-CD2 4.18Å; I1009-F1013 WeakPolarHBondContact O-CB 3.17Å; I1009-F1013 PolarHBondContact O-N 3.1Å; F1013-V1015 HydrophobicContact CB-CG2 4.45Å
1014N63.2Low68.6Low124 Ų12444.9 Ų44.966%0.66321%0.212SC*.  trans5559174.1-157.819.6000114.2V1010V1010-N1014 PolarHBondContact O-N 3.05Å
1015V61.6Low68Low33 Ų3348.2 Ų48.220%0.223%0.234CC..  trans-79.9147-176.8-173.10000111.4I1009 F1013 V1019I1009-V1015 HydrophobicContact CG2-CG2 4.12Å; F1013-V1015 HydrophobicContact CB-CG2 4.45Å; V1015-V1019 HydrophobicContact CG1-CG2 3.93Å
1016K58Low67.2Low176 Ų17651.5 Ų51.577%0.76525%0.249SC*.  trans-52.8147.8-174.2-66.7-176.2177.1-176.80114.5F1018 V1019K1016-F1018 PolarHBondContact O-N 3.22Å; K1016-V1019 PolarHBondContact O-N 3.39Å
1017T60Low66.6Low54 Ų5451.6 Ų51.633%0.33125%0.25SC..THydrogen-bonded Turntrans-48.3-30.7-175.1-80000115.8V1019 I1020 Q1021T1017-V1019 VanDerWaalsContact C-N 3.32Å; T1017-V1019 PolarHBondContact O-N 2.63Å; T1017-I1020 WeakPolarHBondContact O-CB 3.4Å; T1017-I1020 PolarHBondContact O-N 3.13Å; T1017-Q1021 PolarHBondContact O-N 2.96Å
1018F67.4Low65.8Low111 Ų11153.6 Ų53.649%0.48726%0.262SS..Hα-helixtrans-56.6-39.2179.1151.9-96.8000113.8K1016 I1020 Q1021 Q1022K1016-F1018 PolarHBondContact O-N 3.22Å; F1018-I1020 VanDerWaalsContact C-N 3.29Å; F1018-I1020 PolarHBondContact O-N 2.98Å; F1018-Q1021 PolarHBondContact O-N 2.81Å; F1018-Q1022 HydrophobicContact CE2-CG 4.15Å; F1018-Q1022 PolarHBondContact O-N 3.47Å
1019V64.2Low64.9Low12 Ų1257.4 Ų57.47%0.07329%0.292CS..Hα-helixtrans-66.8-35.6-178.3179.20000110.9W985 I1006 V1010 V1015 K1016 T1017 M1023W985-V1019 HydrophobicContact CH2-CG1 4.45Å; W985-V1019 HydrophobicContact CZ3-CG1 3.84Å; I1006-V1019 HydrophobicContact CG2-CG1 3.95Å; V1010-V1019 HydrophobicContact CG2-CG1 4.2Å; V1015-V1019 HydrophobicContact CG1-CG2 3.93Å; K1016-V1019 PolarHBondContact O-N 3.39Å; T1017-V1019 VanDerWaalsContact C-N 3.32Å; T1017-V1019 PolarHBondContact O-N 2.63Å; V1019-M1023 PolarHBondContact O-N 3.15Å
1020I63.1Low63.8Low11 Ų1159.3 Ų59.36%0.05631%0.305CS..Hα-helixtrans-70-41.4177.9-63174.1000110.4V1010 T1017 F1018 Q1022 M1023 L1024 I1050V1010-I1020 HydrophobicContact CG1-CD1 3.89Å; V1010-I1020 HydrophobicContact CG1-CG1 3.98Å; T1017-I1020 WeakPolarHBondContact O-CB 3.4Å; T1017-I1020 PolarHBondContact O-N 3.13Å; F1018-I1020 VanDerWaalsContact C-N 3.29Å; F1018-I1020 PolarHBondContact O-N 2.98Å; I1020-Q1022 VanDerWaalsContact C-N 3.3Å; I1020-Q1022 PolarHBondContact O-N 3.04Å; I1020-M1023 PolarHBondContact O-N 3Å; I1020-L1024 PolarHBondContact O-N 2.96Å; I1020-L1024 VanDerWaalsContact O-N 3.12Å; I1020-I1050 HydrophobicContact CD1-CG1 4.19Å; I1020-I1050 HydrophobicContact CG2-CD1 3.64Å; I1020-I1050 HydrophobicContact CG2-CG1 3.58Å
1021Q62.9Low62.9Low88 Ų8861 Ų6141%0.41131%0.311SS..Hα-helixtrans-62.3-33-179.1-73.8177.6-15.400113.2T1017 F1018 P1025T1017-Q1021 PolarHBondContact O-N 2.96Å; F1018-Q1021 PolarHBondContact O-N 2.81Å; Q1021-P1025 VanDerWaalsContact O-CD 3.29Å; Q1021-P1025 WeakPolarHBondContact O-CD 3.39Å
1022Q66.9Low62.2Low92 Ų9260.1 Ų60.143%0.4332%0.317SS..Hα-helixtrans-81.6-27.5176.4-68.6-166-22.100113.6F1018 I1020 H1026F1018-Q1022 HydrophobicContact CE2-CG 4.15Å; F1018-Q1022 PolarHBondContact O-N 3.47Å; I1020-Q1022 VanDerWaalsContact C-N 3.3Å; I1020-Q1022 PolarHBondContact O-N 3.04Å; Q1022-H1026 PolarHBondContact O-ND1 3.31Å
1023M65.5Low61.3Low2 Ų263.4 Ų63.41%0.0133%0.332CS..Hα-helixtrans-78-37.2179.8-86.3-171.950.800114.1M988 Q1003 I1006 V1019 I1020 H1026 L1027 V1042M988-M1023 HydrophobicContact CE-CG 4.17Å; Q1003-M1023 HydrophobicContact CB-CE 4.37Å; I1006-M1023 HydrophobicContact CB-SD 3.73Å; I1006-M1023 HydrophobicContact CD1-SD 4.3Å; I1006-M1023 HydrophobicContact CG2-SD 3.28Å; I1006-M1023 WeakPolarHBondContact CG2-SD 2.98Å; V1019-M1023 PolarHBondContact O-N 3.15Å; I1020-M1023 PolarHBondContact O-N 3Å; M1023-H1026 PolarHBondContact O-N 3.06Å; M1023-L1027 HydrophobicContact CE-CD1 3.87Å; M1023-L1027 PolarHBondContact O-N 3.31Å; M1023-V1042 HydrophobicContact CE-CG1 4.36Å
1024L64.5Low60.5Low14 Ų1469.7 Ų69.77%0.07336%0.362CS..Hα-helixtrans-59.9-44.4-170.5-157.675.3000113.6I1020 H1026 L1027 V1028 I1050I1020-L1024 PolarHBondContact O-N 2.96Å; I1020-L1024 VanDerWaalsContact O-N 3.12Å; L1024-H1026 VanDerWaalsContact C-N 3.32Å; L1024-H1026 PolarHBondContact O-N 3.31Å; L1024-L1027 PolarHBondContact O-N 3.45Å; L1024-V1028 WeakPolarHBondContact O-CG2 3.21Å; L1024-V1028 PolarHBondContact O-N 3.17Å; L1024-I1050 HydrophobicContact CD1-CD1 4.12Å
1025P63Low60.1Low77 Ų7763.9 Ų63.950%0.533%0.331SS..Hα-helixtrans-65.1-32.8178.9-21.133.9000113.5Q1021 S1029Q1021-P1025 VanDerWaalsContact O-CD 3.29Å; Q1021-P1025 WeakPolarHBondContact O-CD 3.39Å; P1025-S1029 PolarHBondContact O-N 3.4Å; P1025-S1029 PolarHBondContact O-OG 2.85Å
1026H61Low59.9Low69 Ų6967.4 Ų67.432%0.31934%0.34SS..Hα-helixtrans-78-24-178.8-73.570.1000113.2M988 Q1022 M1023 L1024 S1030M988-H1026 HydrophobicContact CE-CB 4.11Å; Q1022-H1026 PolarHBondContact O-ND1 3.31Å; M1023-H1026 PolarHBondContact O-N 3.06Å; L1024-H1026 VanDerWaalsContact C-N 3.32Å; L1024-H1026 PolarHBondContact O-N 3.31Å; H1026-S1030 PolarHBondContact O-OG 3.19Å
1027L63.7Low59.9Low2 Ų263.1 Ų63.11%0.0133%0.331CS..Hα-helixtrans-78.9-33.4175-84.3162.6000112.4Q1003 M1023 L1024 S1030 F1031 V1042Q1003-L1027 VanDerWaalsContact OE1-CD2 3.22Å; M1023-L1027 HydrophobicContact CE-CD1 3.87Å; M1023-L1027 PolarHBondContact O-N 3.31Å; L1024-L1027 PolarHBondContact O-N 3.45Å; L1027-S1030 PolarHBondContact O-OG 3.24Å; L1027-F1031 VanDerWaalsContact O-CE2 3.3Å; L1027-F1031 WeakPolarHBondContact O-CE2 3.48Å; L1027-V1042 HydrophobicContact CD1-CG1 3.8Å; L1027-V1042 HydrophobicContact CD2-CB 4.04Å; L1027-V1042 HydrophobicContact CD2-CG1 3.63Å; L1027-V1042 HydrophobicContact CG-CG1 4.36Å
1028V58.9Low60Low42 Ų4261.9 Ų61.926%0.25532%0.322SS..Hα-helixtrans-76.7-33.5-177167.20000112L1024 L1068L1024-V1028 WeakPolarHBondContact O-CG2 3.21Å; L1024-V1028 PolarHBondContact O-N 3.17Å; V1028-L1068 HydrophobicContact CB-CD1 4.4Å; V1028-L1068 HydrophobicContact CG1-CD1 3.47Å; V1028-L1068 VanDerWaalsContact CG1-CD1 3.47Å; V1028-L1068 HydrophobicContact CG1-CG 3.67Å; V1028-L1068 HydrophobicContact CG2-CD1 4.26Å
1029S58.3Low59.8Low101 Ų10156.7 Ų56.771%0.70630%0.299SS*.THydrogen-bonded Turntrans-82.8-5.3-178.960.90000115.5P1025P1025-S1029 PolarHBondContact O-N 3.4Å; P1025-S1029 PolarHBondContact O-OG 2.85Å
1030S52.9Low59.8Low40 Ų4057.9 Ų57.928%0.2831%0.308SS..THydrogen-bonded Turntrans-11418.1-166.951.60000115.9H1026 L1027 S1032H1026-S1030 PolarHBondContact O-OG 3.19Å; L1027-S1030 PolarHBondContact O-OG 3.24Å; S1030-S1032 VanDerWaalsContact C-N 3.3Å; S1030-S1032 PolarHBondContact O-N 2.9Å
1031F55.5Low60Low43 Ų4361.4 Ų61.419%0.18932%0.324CS..  trans-73.376.9172.5-73.8-85.9000111.7L1027 N1039 L1043 L1085L1027-F1031 VanDerWaalsContact O-CE2 3.3Å; L1027-F1031 WeakPolarHBondContact O-CE2 3.48Å; F1031-N1039 HydrophobicContact CE1-CB 4.12Å; F1031-L1043 HydrophobicContact CZ-CD2 4.48Å; F1031-L1085 HydrophobicContact CE2-CD1 4.48Å; F1031-L1085 HydrophobicContact CZ-CD1 4.02Å
1032S55.2Low60.2Low62 Ų6257.2 Ų57.243%0.43431%0.305SS..  trans-98.1163.2165.7670000110.7S1030 E1034 P1035S1030-S1032 VanDerWaalsContact C-N 3.3Å; S1030-S1032 PolarHBondContact O-N 2.9Å; S1032-E1034 PolarHBondContact O-N 3.25Å; S1032-P1035 WeakPolarHBondContact O-CD 3.44Å
1033K52.3Low60.1Low153 Ų15353.2 Ų53.267%0.66529%0.286SS*.SBendtrans-57.2-18-167.6-73.6-175.1175.4177.10116.3
1034E51.9Low60.1Low158 Ų15853.7 Ų53.774%0.73829%0.29SS*.SBendtrans-94.2-39.8-168.3-68.9-174.6160.400116.4S1032S1032-E1034 PolarHBondContact O-N 3.25Å
1035P55.5Low60.3Low2 Ų253.5 Ų53.51%0.01329%0.289CS..SBendtrans-98.922.9179.536.1-35.5000116.2S1032 I1038 N1039S1032-P1035 WeakPolarHBondContact O-CD 3.44Å; P1035-I1038 PolarHBondContact O-N 3.3Å; P1035-I1038 VanDerWaalsContact O-N 3.15Å; P1035-N1039 PolarHBondContact O-N 3.17Å
1036R56.7Low60.5Low106 Ų10650 Ų5040%0.427%0.266SS..Hα-helixtrans-45.5-48.7-177.3-72.5-179.6-174.9167.7-2.3116.6S1040 E1081R1036-S1040 WeakPolarHBondContact O-CB 3.44Å; R1036-S1040 PolarHBondContact O-N 3.36Å; R1036-S1040 PolarHBondContact O-OG 2.94Å; R1036-E1081 IonicContact CZ-OE1 2.75Å; R1036-E1081 IonicContact NE-OE1 3.38Å; R1036-E1081 PolarHBondContact NE-OE1 3.15Å; R1036-E1081 IonicContact NH2-OE1 3.2Å; R1036-E1081 PolarHBondContact NH2-OE1 3.24Å
1037P59.5Low60.7Low87 Ų8747.6 Ų47.657%0.56526%0.255SS*.Hα-helixtrans-72.4-32-17726.6-32.9000112.8Q1041P1037-Q1041 WeakPolarHBondContact O-CB 3.25Å; P1037-Q1041 PolarHBondContact O-N 2.65Å; P1037-Q1041 VanDerWaalsContact O-N 3.07Å
1038I61.1Low60.9Low28 Ų2853.8 Ų53.814%0.14428%0.278CS..Hα-helixtrans-76.2-45.5-177.8-61.5158.5000109.6L997 C1000 V1004 P1035 S1040 Q1041 V1042L997-I1038 HydrophobicContact CD2-CD1 3.73Å; L997-I1038 HydrophobicContact CG-CD1 4.02Å; C1000-I1038 HydrophobicContact CB-CG2 3.81Å; V1004-I1038 HydrophobicContact CG2-CG2 3.6Å; P1035-I1038 PolarHBondContact O-N 3.3Å; P1035-I1038 VanDerWaalsContact O-N 3.15Å; I1038-S1040 VanDerWaalsContact C-N 3.31Å; I1038-S1040 PolarHBondContact O-N 3.02Å; I1038-Q1041 CarbonylContact O-C 3.45Å; I1038-Q1041 WeakPolarHBondContact O-CA 3.18Å; I1038-Q1041 WeakPolarHBondContact O-CB 3.31Å; I1038-Q1041 PolarHBondContact O-N 3.3Å; I1038-V1042 WeakPolarHBondContact O-CG2 3.4Å; I1038-V1042 PolarHBondContact O-N 3.35Å
1039N63.7Low61.2Low1 Ų152.2 Ų52.21%0.00527%0.27CS..Hα-helixtrans-62.8-38.8175.9-74.6-4.2000112.2C1000 F1031 P1035 Q1041 V1042 L1043C1000-N1039 PolarHBondContact SG-OD1 2.94Å; F1031-N1039 HydrophobicContact CE1-CB 4.12Å; P1035-N1039 PolarHBondContact O-N 3.17Å; N1039-Q1041 VanDerWaalsContact C-N 3.28Å; N1039-Q1041 PolarHBondContact O-N 2.85Å; N1039-V1042 PolarHBondContact O-N 3.03Å; N1039-L1043 VanDerWaalsContact O-CB 3.29Å; N1039-L1043 WeakPolarHBondContact O-CB 3.19Å; N1039-L1043 PolarHBondContact O-N 3.27Å
1040S63.6Low61.4Low37 Ų3747.9 Ų47.926%0.25924%0.239SC..Hα-helixtrans-61.1-37.5171.4-620000112.1R1036 I1038 S1044R1036-S1040 WeakPolarHBondContact O-CB 3.44Å; R1036-S1040 PolarHBondContact O-N 3.36Å; R1036-S1040 PolarHBondContact O-OG 2.94Å; I1038-S1040 VanDerWaalsContact C-N 3.31Å; I1038-S1040 PolarHBondContact O-N 3.02Å; S1040-S1044 VanDerWaalsContact O-CB 3.29Å; S1040-S1044 WeakPolarHBondContact O-CB 3.46Å; S1040-S1044 PolarHBondContact O-N 2.86Å
1041Q67.6Low61.6Low86 Ų8648.4 Ų48.440%0.40224%0.238SC..Hα-helixtrans-70.8-45.4177.1-171.4176.77.800111.7P1037 I1038 N1039 S1044 I1045P1037-Q1041 WeakPolarHBondContact O-CB 3.25Å; P1037-Q1041 PolarHBondContact O-N 2.65Å; P1037-Q1041 VanDerWaalsContact O-N 3.07Å; I1038-Q1041 CarbonylContact O-C 3.45Å; I1038-Q1041 WeakPolarHBondContact O-CA 3.18Å; I1038-Q1041 WeakPolarHBondContact O-CB 3.31Å; I1038-Q1041 PolarHBondContact O-N 3.3Å; N1039-Q1041 VanDerWaalsContact C-N 3.28Å; N1039-Q1041 PolarHBondContact O-N 2.85Å; Q1041-S1044 PolarHBondContact O-N 3.18Å; Q1041-S1044 PolarHBondContact O-OG 3.14Å; Q1041-I1045 HydrophobicContact CG-CD1 3.98Å; Q1041-I1045 WeakPolarHBondContact O-CD1 3.29Å; Q1041-I1045 VanDerWaalsContact O-CG1 3.3Å; Q1041-I1045 WeakPolarHBondContact O-CG1 3.32Å; Q1041-I1045 PolarHBondContact O-N 3.49Å; Q1041-I1045 VanDerWaalsContact O-N 3.1Å
1042V67.2Low61.8Low0 Ų055.3 Ų55.30%026%0.263CS..Hα-helixtrans-55.5-55.2173.9179.50000109.4Q1003 V1004 A1007 M1023 L1027 I1038 N1039 S1044 I1045 T1046Q1003-V1042 HydrophobicContact CB-CG1 4.12Å; Q1003-V1042 HydrophobicContact CB-CG2 4.3Å; V1004-V1042 HydrophobicContact CB-CG2 4.04Å; V1004-V1042 HydrophobicContact CG2-CG2 3.19Å; A1007-V1042 HydrophobicContact CB-CG1 4.02Å; M1023-V1042 HydrophobicContact CE-CG1 4.36Å; L1027-V1042 HydrophobicContact CD1-CG1 3.8Å; L1027-V1042 HydrophobicContact CD2-CB 4.04Å; L1027-V1042 HydrophobicContact CD2-CG1 3.63Å; L1027-V1042 HydrophobicContact CG-CG1 4.36Å; I1038-V1042 WeakPolarHBondContact O-CG2 3.4Å; I1038-V1042 PolarHBondContact O-N 3.35Å; N1039-V1042 PolarHBondContact O-N 3.03Å; V1042-S1044 PolarHBondContact O-N 3.47Å; V1042-I1045 PolarHBondContact O-N 3.01Å; V1042-T1046 PolarHBondContact O-N 3.25Å; V1042-T1046 PolarHBondContact O-OG1 3.35Å
1043L65.1Low61.9Low8 Ų854.9 Ų54.94%0.04225%0.254CS..Hα-helixtrans-59-38.1-178.3-166.773.3000111.3F1031 N1039 I1045 L1047 L1085F1031-L1043 HydrophobicContact CZ-CD2 4.48Å; N1039-L1043 VanDerWaalsContact O-CB 3.29Å; N1039-L1043 WeakPolarHBondContact O-CB 3.19Å; N1039-L1043 PolarHBondContact O-N 3.27Å; L1043-I1045 VanDerWaalsContact C-N 3.33Å; L1043-I1045 PolarHBondContact O-N 3.13Å; L1043-L1047 HydrophobicContact CD2-CD1 4.13Å; L1043-L1047 HydrophobicContact CG-CD1 3.72Å; L1043-L1047 HydrophobicContact CG-CG 4.27Å; L1043-L1047 WeakPolarHBondContact O-CB 3.12Å; L1043-L1047 WeakPolarHBondContact O-CD1 3.33Å; L1043-L1047 VanDerWaalsContact O-CG 3.25Å; L1043-L1047 WeakPolarHBondContact O-CG 3.5Å; L1043-L1047 PolarHBondContact O-N 2.99Å; L1043-L1085 HydrophobicContact CD2-CD1 3.45Å; L1043-L1085 VanDerWaalsContact CD2-CD1 3.45Å; L1043-L1085 HydrophobicContact CD2-CD2 3.71Å; L1043-L1085 HydrophobicContact CD2-CG 3.65Å
1044S65.6Low62Low12 Ų1255.2 Ų55.28%0.08426%0.258CS..Hα-helixtrans-63.9-34.4176.2800000114.3S1040 Q1041 V1042 R1048S1040-S1044 VanDerWaalsContact O-CB 3.29Å; S1040-S1044 WeakPolarHBondContact O-CB 3.46Å; S1040-S1044 PolarHBondContact O-N 2.86Å; Q1041-S1044 PolarHBondContact O-N 3.18Å; Q1041-S1044 PolarHBondContact O-OG 3.14Å; V1042-S1044 PolarHBondContact O-N 3.47Å; S1044-R1048 VanDerWaalsContact O-CG 3.26Å; S1044-R1048 WeakPolarHBondContact O-CG 3.27Å; S1044-R1048 PolarHBondContact O-N 2.88Å; S1044-R1048 PolarHBondContact O-NE 2.86Å
1045I67.6Low62.2Low10 Ų1055.3 Ų55.35%0.05126%0.258CS..Hα-helixtrans-80.9-43.6-179.5-64.1162.4000109A1007 Y1008 W1011 Q1041 V1042 L1043 R1048 A1049A1007-I1045 HydrophobicContact CB-CB 4.26Å; A1007-I1045 HydrophobicContact CB-CG2 4.02Å; A1007-I1045 WeakPolarHBondContact O-CG2 3.26Å; Y1008-I1045 HydrophobicContact CD2-CD1 4.03Å; Y1008-I1045 HydrophobicContact CE1-CD1 4.03Å; Y1008-I1045 HydrophobicContact CE2-CD1 3.46Å; Y1008-I1045 VanDerWaalsContact CE2-CD1 3.46Å; Y1008-I1045 VanDerWaalsContact CZ-CD1 3.44Å; W1011-I1045 HydrophobicContact CB-CG2 3.76Å; W1011-I1045 HydrophobicContact CG-CG2 4.13Å; Q1041-I1045 HydrophobicContact CG-CD1 3.98Å; Q1041-I1045 WeakPolarHBondContact O-CD1 3.29Å; Q1041-I1045 VanDerWaalsContact O-CG1 3.3Å; Q1041-I1045 WeakPolarHBondContact O-CG1 3.32Å; Q1041-I1045 PolarHBondContact O-N 3.49Å; Q1041-I1045 VanDerWaalsContact O-N 3.1Å; V1042-I1045 PolarHBondContact O-N 3.01Å; L1043-I1045 VanDerWaalsContact C-N 3.33Å; L1043-I1045 PolarHBondContact O-N 3.13Å; I1045-R1048 PolarHBondContact O-N 3.39Å; I1045-A1049 PolarHBondContact O-N 3.28Å
1046T68.2Low62.2Low4 Ų462.7 Ų62.73%0.02529%0.293CS..Hα-helixtrans-64.5-43.4176.3-42.60000111.3A1007 V1042 R1048 A1049 I1050A1007-T1046 WeakPolarHBondContact CB-OG1 3.49Å; V1042-T1046 PolarHBondContact O-N 3.25Å; V1042-T1046 PolarHBondContact O-OG1 3.35Å; T1046-R1048 VanDerWaalsContact C-N 3.35Å; T1046-R1048 PolarHBondContact O-N 2.91Å; T1046-A1049 WeakPolarHBondContact O-CB 3.45Å; T1046-A1049 PolarHBondContact O-N 3.46Å; T1046-A1049 VanDerWaalsContact O-N 3.1Å; T1046-I1050 HydrophobicContact CG2-CD1 4.05Å; T1046-I1050 VanDerWaalsContact O-CG1 3.26Å; T1046-I1050 WeakPolarHBondContact O-CG1 3.47Å; T1046-I1050 PolarHBondContact O-N 2.88Å
1047L65.2Low62.4Low18 Ų1858.2 Ų58.29%0.09428%0.28CS..Hα-helixtrans-58.3-43.5173.3-85.8160.9000111.7L1043 A1049 I1050 L1051 L1061 F1089L1043-L1047 HydrophobicContact CD2-CD1 4.13Å; L1043-L1047 HydrophobicContact CG-CD1 3.72Å; L1043-L1047 HydrophobicContact CG-CG 4.27Å; L1043-L1047 WeakPolarHBondContact O-CB 3.12Å; L1043-L1047 WeakPolarHBondContact O-CD1 3.33Å; L1043-L1047 VanDerWaalsContact O-CG 3.25Å; L1043-L1047 WeakPolarHBondContact O-CG 3.5Å; L1043-L1047 PolarHBondContact O-N 2.99Å; L1047-A1049 VanDerWaalsContact C-N 3.28Å; L1047-A1049 PolarHBondContact O-N 3.28Å; L1047-I1050 PolarHBondContact O-N 3.06Å; L1047-L1051 WeakPolarHBondContact O-CB 3.41Å; L1047-L1051 WeakPolarHBondContact O-CD1 3.4Å; L1047-L1051 VanDerWaalsContact O-CG 3.25Å; L1047-L1051 WeakPolarHBondContact O-CG 3.49Å; L1047-L1051 PolarHBondContact O-N 3.3Å; L1047-L1061 HydrophobicContact CD2-CD1 3.63Å; L1047-L1061 HydrophobicContact CD2-CD2 3.57Å; L1047-L1061 HydrophobicContact CD2-CG 4.27Å; L1047-F1089 HydrophobicContact CD1-CD2 4.34Å
1048R67Low62.4Low131 Ų13159.3 Ų59.349%0.49427%0.272SS..Hα-helixtrans-64.2-32.9175.7-77.9178.8-141.1-175.62.8112.7S1044 I1045 T1046S1044-R1048 VanDerWaalsContact O-CG 3.26Å; S1044-R1048 WeakPolarHBondContact O-CG 3.27Å; S1044-R1048 PolarHBondContact O-N 2.88Å; S1044-R1048 PolarHBondContact O-NE 2.86Å; I1045-R1048 PolarHBondContact O-N 3.39Å; T1046-R1048 VanDerWaalsContact C-N 3.35Å; T1046-R1048 PolarHBondContact O-N 2.91Å
1049A65.2Low62.5Low9 Ų965.4 Ų65.47%0.07430%0.298CS..Hα-helixtrans-74.7-41.5176.700000112.1V1010 I1045 T1046 L1047 R1052V1010-A1049 HydrophobicContact CG1-CB 3.88Å; I1045-A1049 PolarHBondContact O-N 3.28Å; T1046-A1049 WeakPolarHBondContact O-CB 3.45Å; T1046-A1049 PolarHBondContact O-N 3.46Å; T1046-A1049 VanDerWaalsContact O-N 3.1Å; L1047-A1049 VanDerWaalsContact C-N 3.28Å; L1047-A1049 PolarHBondContact O-N 3.28Å; A1049-R1052 PolarHBondContact O-N 3.47Å
1050I63.2Low62.5Low10 Ų1069.4 Ų69.45%0.05132%0.317CS..Hα-helixtrans-64.7-43.2177.4-64.6165.3000111.1I1020 L1024 T1046 L1047 R1052 Q1053 L1061I1020-I1050 HydrophobicContact CD1-CG1 4.19Å; I1020-I1050 HydrophobicContact CG2-CD1 3.64Å; I1020-I1050 HydrophobicContact CG2-CG1 3.58Å; L1024-I1050 HydrophobicContact CD1-CD1 4.12Å; T1046-I1050 HydrophobicContact CG2-CD1 4.05Å; T1046-I1050 VanDerWaalsContact O-CG1 3.26Å; T1046-I1050 WeakPolarHBondContact O-CG1 3.47Å; T1046-I1050 PolarHBondContact O-N 2.88Å; L1047-I1050 PolarHBondContact O-N 3.06Å; I1050-R1052 PolarHBondContact O-N 3.49Å; I1050-Q1053 PolarHBondContact O-N 3.34Å; I1050-L1061 HydrophobicContact CB-CD1 4.24Å; I1050-L1061 HydrophobicContact CD1-CD1 4.2Å; I1050-L1061 HydrophobicContact CG2-CD1 3.68Å
1051L57.3Low62.5Low51 Ų5168.1 Ų68.127%0.26731%0.307SS..THydrogen-bonded Turntrans-69.2-12.1-178.6-71.3167.5000114L1047 Q1053 F1092L1047-L1051 WeakPolarHBondContact O-CB 3.41Å; L1047-L1051 WeakPolarHBondContact O-CD1 3.4Å; L1047-L1051 VanDerWaalsContact O-CG 3.25Å; L1047-L1051 WeakPolarHBondContact O-CG 3.49Å; L1047-L1051 PolarHBondContact O-N 3.3Å; L1051-Q1053 VanDerWaalsContact C-N 3.3Å; L1051-F1092 HydrophobicContact CD1-CB 4.04Å; L1051-F1092 HydrophobicContact CD1-CD1 4.12Å; L1051-F1092 HydrophobicContact CD1-CG 4.28Å
1052R59.5Low62.4Low188 Ų18864.4 Ų64.471%0.70929%0.29SS*.THydrogen-bonded Turntrans-80.9-7.8171.3-117179177.2171-1.9113.1A1049 I1050A1049-R1052 PolarHBondContact O-N 3.47Å; I1050-R1052 PolarHBondContact O-N 3.49Å
1053Q57.8Low62.4Low54 Ų5468.8 Ų68.825%0.25231%0.313SS..SBendtrans-110.4110.9177.8-61.6-173.9-5.500108.5I1050 L1051 E1055I1050-Q1053 PolarHBondContact O-N 3.34Å; L1051-Q1053 VanDerWaalsContact C-N 3.3Å; Q1053-E1055 PolarHBondContact O-N 2.91Å
1054E53Low62.3Low159 Ų15969.9 Ų69.974%0.74332%0.321SS*.  trans-73.1-17.1-141.9-68.5-178.615000117.9
1055E56Low62.3Low160 Ų16069.9 Ų69.975%0.74832%0.32SS*.SBendtrans-139.5-51.3-176.4-65.3-165.7160.700117.3Q1053 G1057 R1058Q1053-E1055 PolarHBondContact O-N 2.91Å; E1055-G1057 PolarHBondContact O-N 3.26Å; E1055-R1058 PolarHBondContact O-N 2.91Å
1056E57.2Low62.1Low158 Ų15871.8 Ų71.874%0.73833%0.328SS*.Hα-helixtrans-66.8-31.5-173.1-69.9-174.815900114.1R1058E1056-R1058 VanDerWaalsContact C-N 3.29Å; E1056-R1058 PolarHBondContact O-N 2.77Å
1057G59.4Low62Low12 Ų1278.3 Ų78.312%0.12436%0.358CS..Hα-helixtrans-69.7-21.3179.300000114.4E1055 L1061E1055-G1057 PolarHBondContact O-N 3.26Å; G1057-L1061 PolarHBondContact O-N 3.45Å
1058R59.4Low61.9Low109 Ų10978.9 Ų78.941%0.41136%0.361SS..Hα-helixtrans-75.5-39.7-178.3-67.5-178.9-177.3169.84.9112.6E1055 E1056 L1062E1055-R1058 PolarHBondContact O-N 2.91Å; E1056-R1058 VanDerWaalsContact C-N 3.29Å; E1056-R1058 PolarHBondContact O-N 2.77Å; R1058-L1062 WeakPolarHBondContact O-CB 3.44Å; R1058-L1062 PolarHBondContact O-N 3.22Å; R1058-L1062 VanDerWaalsContact O-N 3.13Å
1059K64Low61.6Low157 Ų15773 Ų7368%0.68334%0.339SS*.Hα-helixtrans-67-43.8176.9-77.9-176.9176.5176.10111.9L1061 L1062 D1063K1059-L1061 PolarHBondContact O-N 3.1Å; K1059-L1062 WeakPolarHBondContact O-CB 3.39Å; K1059-L1062 PolarHBondContact O-N 2.55Å; K1059-D1063 PolarHBondContact O-N 3.44Å
1060Q63.2Low61.4Low85 Ų8576 Ų7640%0.39736%0.356SS..Hα-helixtrans-63.7-40.8178.1-72.6-175.6-21.500112.5L1062 D1063 S1064Q1060-L1062 VanDerWaalsContact C-N 3.31Å; Q1060-L1062 PolarHBondContact O-N 3.26Å; Q1060-D1063 PolarHBondContact O-N 3.19Å; Q1060-S1064 PolarHBondContact O-N 3.32Å; Q1060-S1064 VanDerWaalsContact O-N 3.12Å; Q1060-S1064 PolarHBondContact O-OG 3.39Å; Q1060-S1064 VanDerWaalsContact O-OG 3.13Å
1061L63.8Low61.2Low9 Ų979 Ų795%0.04738%0.383CS..Hα-helixtrans-61.4-40.7173.6-106.1159000112.5L1047 I1050 G1057 K1059 F1065L1047-L1061 HydrophobicContact CD2-CD1 3.63Å; L1047-L1061 HydrophobicContact CD2-CD2 3.57Å; L1047-L1061 HydrophobicContact CD2-CG 4.27Å; I1050-L1061 HydrophobicContact CB-CD1 4.24Å; I1050-L1061 HydrophobicContact CD1-CD1 4.2Å; I1050-L1061 HydrophobicContact CG2-CD1 3.68Å; G1057-L1061 PolarHBondContact O-N 3.45Å; K1059-L1061 PolarHBondContact O-N 3.1Å; L1061-F1065 HydrophobicContact CB-CE2 4.46Å; L1061-F1065 HydrophobicContact CD2-CD2 4Å; L1061-F1065 HydrophobicContact CD2-CE1 4.48Å; L1061-F1065 HydrophobicContact CD2-CE2 3.32Å; L1061-F1065 HydrophobicContact CD2-CZ 3.6Å; L1061-F1065 HydrophobicContact CG-CE2 4.47Å; L1061-F1065 WeakPolarHBondContact O-CB 3.3Å; L1061-F1065 WeakPolarHBondContact O-CD2 3.12Å; L1061-F1065 WeakPolarHBondContact O-CG 3.34Å; L1061-F1065 PolarHBondContact O-N 3.47Å
1062L65Low61.1Low9 Ų980.1 Ų80.15%0.04739%0.389CS..Hα-helixtrans-65.9-42.6-180178.571.1000111.9R1058 K1059 Q1060 F1065 K1066 L1096 E1099 L1100R1058-L1062 WeakPolarHBondContact O-CB 3.44Å; R1058-L1062 PolarHBondContact O-N 3.22Å; R1058-L1062 VanDerWaalsContact O-N 3.13Å; K1059-L1062 WeakPolarHBondContact O-CB 3.39Å; K1059-L1062 PolarHBondContact O-N 2.55Å; Q1060-L1062 VanDerWaalsContact C-N 3.31Å; Q1060-L1062 PolarHBondContact O-N 3.26Å; L1062-F1065 PolarHBondContact O-N 3.14Å; L1062-K1066 HydrophobicContact CG-CD 4.39Å; L1062-K1066 WeakPolarHBondContact O-CB 3.33Å; L1062-K1066 VanDerWaalsContact O-CG 3.31Å; L1062-K1066 WeakPolarHBondContact O-CG 3.48Å; L1062-K1066 PolarHBondContact O-N 2.83Å; L1062-L1096 HydrophobicContact CD1-CD2 4.41Å; L1062-E1099 HydrophobicContact CD1-CB 3.84Å; L1062-E1099 HydrophobicContact CD2-CB 4.35Å; L1062-E1099 VanDerWaalsContact CD2-OE2 3.3Å; L1062-E1099 WeakPolarHBondContact CD2-OE2 3.34Å; L1062-L1100 HydrophobicContact CD1-CD2 4.26Å; L1062-L1100 HydrophobicContact CD1-CG 4.1Å
1063D67.3Low60.8Low92 Ų9276.1 Ų76.149%0.49238%0.378SS..Hα-helixtrans-65.8-42.4176.9-66.9-27000111.3K1059 Q1060 F1065 K1066 E1067K1059-D1063 PolarHBondContact O-N 3.44Å; Q1060-D1063 PolarHBondContact O-N 3.19Å; D1063-F1065 PolarHBondContact O-N 3.31Å; D1063-K1066 PolarHBondContact O-N 3.13Å; D1063-E1067 PolarHBondContact O-N 3.38Å
1064S64.2Low60.5Low30 Ų3078.6 Ų78.621%0.2140%0.402CS..Hα-helixtrans-65-36.3174.8-580000113.2Q1060 L1068Q1060-S1064 PolarHBondContact O-N 3.32Å; Q1060-S1064 VanDerWaalsContact O-N 3.12Å; Q1060-S1064 PolarHBondContact O-OG 3.39Å; Q1060-S1064 VanDerWaalsContact O-OG 3.13Å; S1064-L1068 PolarHBondContact O-N 2.93Å; S1064-L1068 VanDerWaalsContact O-N 3.15Å
1065F65.7Low60.6Low13 Ų1377.4 Ų77.46%0.05740%0.396CS..Hα-helixtrans-71.2-34.2174.1-75.4-44.8000112.8L1061 L1062 D1063 L1069 L1085 F1086 L1100L1061-F1065 HydrophobicContact CB-CE2 4.46Å; L1061-F1065 HydrophobicContact CD2-CD2 4Å; L1061-F1065 HydrophobicContact CD2-CE1 4.48Å; L1061-F1065 HydrophobicContact CD2-CE2 3.32Å; L1061-F1065 HydrophobicContact CD2-CZ 3.6Å; L1061-F1065 HydrophobicContact CG-CE2 4.47Å; L1061-F1065 WeakPolarHBondContact O-CB 3.3Å; L1061-F1065 WeakPolarHBondContact O-CD2 3.12Å; L1061-F1065 WeakPolarHBondContact O-CG 3.34Å; L1061-F1065 PolarHBondContact O-N 3.47Å; L1062-F1065 PolarHBondContact O-N 3.14Å; D1063-F1065 PolarHBondContact O-N 3.31Å; F1065-L1069 WeakPolarHBondContact O-CG 3.29Å; F1065-L1069 PolarHBondContact O-N 3.13Å; F1065-L1085 HydrophobicContact CE1-CD2 3.69Å; F1065-L1085 HydrophobicContact CZ-CD2 4.01Å; F1065-F1086 HydrophobicContact CD1-CZ 4.43Å; F1065-L1100 HydrophobicContact CB-CD2 3.94Å
1066K63.4Low60.5Low50 Ų5075.1 Ų75.122%0.21738%0.384CS..Hα-helixtrans-64.5-45.8173.2-76.7173.6-178171.50110.9L1062 D1063 L1068 L1069 V1070 E1099 F1103L1062-K1066 HydrophobicContact CG-CD 4.39Å; L1062-K1066 WeakPolarHBondContact O-CB 3.33Å; L1062-K1066 VanDerWaalsContact O-CG 3.31Å; L1062-K1066 WeakPolarHBondContact O-CG 3.48Å; L1062-K1066 PolarHBondContact O-N 2.83Å; D1063-K1066 PolarHBondContact O-N 3.13Å; K1066-L1068 PolarHBondContact O-N 3.01Å; K1066-L1069 PolarHBondContact O-N 3.43Å; K1066-V1070 WeakPolarHBondContact O-CB 3.46Å; K1066-V1070 VanDerWaalsContact O-CG2 3.25Å; K1066-V1070 WeakPolarHBondContact O-CG2 3.5Å; K1066-V1070 PolarHBondContact O-N 3.44Å; K1066-E1099 IonicContact NZ-OE2 2.71Å; K1066-E1099 PolarHBondContact NZ-OE2 3.16Å; K1066-F1103 HydrophobicContact CG-CE2 4.43Å
1067E65.5Low60.4Low141 Ų14172.8 Ų72.866%0.65938%0.376SS*.Hα-helixtrans-59.9-43175.6-79-175.5155.600112.6D1063 L1069 V1070 A1071D1063-E1067 PolarHBondContact O-N 3.38Å; E1067-L1069 VanDerWaalsContact C-N 3.32Å; E1067-L1069 PolarHBondContact O-N 3.5Å; E1067-V1070 PolarHBondContact O-N 2.87Å; E1067-A1071 WeakPolarHBondContact O-CB 3.45Å; E1067-A1071 PolarHBondContact O-N 3.38Å
1068L62.3Low60.2Low30 Ų3074.3 Ų74.316%0.15738%0.384CS..Hα-helixtrans-62.5-35.5178.5-120.5168.6000113.5V1028 S1064 K1066 T1082V1028-L1068 HydrophobicContact CB-CD1 4.4Å; V1028-L1068 HydrophobicContact CG1-CD1 3.47Å; V1028-L1068 VanDerWaalsContact CG1-CD1 3.47Å; V1028-L1068 HydrophobicContact CG1-CG 3.67Å; V1028-L1068 HydrophobicContact CG2-CD1 4.26Å; S1064-L1068 PolarHBondContact O-N 2.93Å; S1064-L1068 VanDerWaalsContact O-N 3.15Å; K1066-L1068 PolarHBondContact O-N 3.01Å; L1068-T1082 HydrophobicContact CD2-CG2 3.74Å
1069L61Low60.3Low7 Ų769.9 Ų69.94%0.03737%0.368CS..Hα-helixtrans-81.3-29.1179.6-74.7170.3000113F1065 K1066 E1067 F1086 L1100 F1103 T1107F1065-L1069 WeakPolarHBondContact O-CG 3.29Å; F1065-L1069 PolarHBondContact O-N 3.13Å; K1066-L1069 PolarHBondContact O-N 3.43Å; E1067-L1069 VanDerWaalsContact C-N 3.32Å; E1067-L1069 PolarHBondContact O-N 3.5Å; L1069-F1086 HydrophobicContact CD1-CE2 4.31Å; L1069-F1086 HydrophobicContact CD1-CZ 3.91Å; L1069-F1086 HydrophobicContact CD2-CE2 4Å; L1069-F1086 HydrophobicContact CD2-CZ 4.41Å; L1069-F1086 HydrophobicContact CG-CE2 4.39Å; L1069-F1086 HydrophobicContact CG-CZ 4.31Å; L1069-L1100 HydrophobicContact CD1-CD2 4.13Å; L1069-F1103 HydrophobicContact CB-CB 4.32Å; L1069-F1103 HydrophobicContact CD1-CB 4.05Å; L1069-T1107 HydrophobicContact CD2-CG2 4.34Å
1070V61.2Low59.9Low72 Ų7263.5 Ų63.544%0.43634%0.343SS..Hα-helixtrans-95.1-30.6-174.6176.80000113K1066 E1067 H1073 F1103K1066-V1070 WeakPolarHBondContact O-CB 3.46Å; K1066-V1070 VanDerWaalsContact O-CG2 3.25Å; K1066-V1070 WeakPolarHBondContact O-CG2 3.5Å; K1066-V1070 PolarHBondContact O-N 3.44Å; E1067-V1070 PolarHBondContact O-N 2.87Å; V1070-H1073 PolarHBondContact O-CD2 3.16Å; V1070-F1103 HydrophobicContact CG2-CD1 3.7Å; V1070-F1103 HydrophobicContact CG2-CE1 3.87Å
1071A58.2Low59.4Low73 Ų7360.7 Ų60.760%0.60333%0.33SS*.SBendtrans-81.6-15.3-168.900000116.3E1067E1067-A1071 WeakPolarHBondContact O-CB 3.45Å; E1067-A1071 PolarHBondContact O-N 3.38Å
1072N54.9Low59.2Low74 Ų7461 Ų6140%0.39633%0.332SS..  trans-119.647.7-165.1-69.1-29.5000115.2S1074 F1079N1072-S1074 PolarHBondContact O-N 3.15Å; N1072-F1079 VanDerWaalsContact O-CZ 3.29Å; N1072-F1079 WeakPolarHBondContact O-CZ 3.25Å
1073H53.4Low59.2Low104 Ų10460.8 Ų60.848%0.48133%0.331SS..THydrogen-bonded Turntrans-71.2-7.9178.5-73.6-63.7000115.1V1070V1070-H1073 PolarHBondContact O-CD2 3.16Å
1074S53Low58.9Low107 Ų10761.1 Ų61.175%0.74833%0.331SS*.THydrogen-bonded Turntrans-105-9-17146.30000116.8N1072N1072-S1074 PolarHBondContact O-N 3.15Å
1075E53.9Low58.8Low134 Ų13460.7 Ų60.763%0.62633%0.326SS*.  trans-127.296.1179.1-70.1-172.6175.100112.3N1077 C1078E1075-N1077 PolarHBondContact O-N 3.24Å; E1075-C1078 PolarHBondContact O-N 3.45Å
1076F53.5Low58.8Low112 Ų11260.2 Ų60.249%0.49132%0.324SS..THydrogen-bonded Turntrans-58.1-11.7-176.4-74.4-82.2000115.7
1077N56.1Low58.5Low108 Ų10859.9 Ų59.958%0.57832%0.324SS*.THydrogen-bonded Turntrans-79.8-19.3-174.2-74.4-27.4000114.7E1075 P1080E1075-N1077 PolarHBondContact O-N 3.24Å; N1077-P1080 WeakPolarHBondContact O-CD 3.43Å
1078C55.5Low58.3Low44 Ų4460.6 Ų60.630%0.29732%0.321SS..SBendtrans-90.9-18.9-176.9-70.60000114.3E1075 E1081 T1082E1075-C1078 PolarHBondContact O-N 3.45Å; C1078-E1081 WeakPolarHBondContact O-CB 3.26Å; C1078-E1081 PolarHBondContact O-N 3.41Å; C1078-E1081 VanDerWaalsContact O-N 3.12Å; C1078-T1082 PolarHBondContact O-N 3.07Å; C1078-T1082 PolarHBondContact O-OG1 2.85Å; C1078-T1082 VanDerWaalsContact O-OG1 3.12Å
1079F60.8Low58.3Low16 Ų1660.5 Ų60.57%0.0732%0.319CS..Hα-helixtrans-59.8-36.5-178.1-71.1-71.5000116.6N1072 E1081 T1082 F1083 T1107 V1111N1072-F1079 VanDerWaalsContact O-CZ 3.29Å; N1072-F1079 WeakPolarHBondContact O-CZ 3.25Å; F1079-E1081 PolarHBondContact O-N 3.48Å; F1079-T1082 WeakPolarHBondContact CA-OG1 3.4Å; F1079-T1082 PolarHBondContact O-N 2.9Å; F1079-T1082 PolarHBondContact O-OG1 2.87Å; F1079-F1083 HydrophobicContact CB-CD2 4.3Å; F1079-F1083 HydrophobicContact CB-CE2 3.97Å; F1079-F1083 WeakPolarHBondContact O-CD2 3.3Å; F1079-F1083 WeakPolarHBondContact O-CG 3.34Å; F1079-F1083 PolarHBondContact O-N 2.86Å; F1079-T1107 HydrophobicContact CE1-CG2 4.25Å; F1079-V1111 HydrophobicContact CB-CG2 4.43Å; F1079-V1111 HydrophobicContact CD2-CG2 4.32Å; F1079-V1111 HydrophobicContact CG-CG2 4.19Å
1080P56.2Low58.2Low23 Ų2362.6 Ų62.615%0.14933%0.333CS..Hα-helixtrans-59.8-34.1175.3-16.928.4000111.5N1077 M1084 T1122 A1125N1077-P1080 WeakPolarHBondContact O-CD 3.43Å; P1080-M1084 VanDerWaalsContact O-CB 3.25Å; P1080-M1084 WeakPolarHBondContact O-CB 3.31Å; P1080-M1084 WeakPolarHBondContact O-CG 3.07Å; P1080-M1084 PolarHBondContact O-N 3.41Å; P1080-T1122 HydrophobicContact CG-CG2 3.31Å; P1080-A1125 HydrophobicContact CB-CB 4.27Å
1081E52.3Low58.2Low27 Ų2765.8 Ų65.813%0.12635%0.346CS..Hα-helixtrans-77.5-38.4-172.6-54.4-178.4-175.900110.4R1036 C1078 F1079 L1085R1036-E1081 IonicContact CZ-OE1 2.75Å; R1036-E1081 IonicContact NE-OE1 3.38Å; R1036-E1081 PolarHBondContact NE-OE1 3.15Å; R1036-E1081 IonicContact NH2-OE1 3.2Å; R1036-E1081 PolarHBondContact NH2-OE1 3.24Å; C1078-E1081 WeakPolarHBondContact O-CB 3.26Å; C1078-E1081 PolarHBondContact O-N 3.41Å; C1078-E1081 VanDerWaalsContact O-N 3.12Å; F1079-E1081 PolarHBondContact O-N 3.48Å; E1081-L1085 PolarHBondContact O-N 3.08Å; E1081-L1085 VanDerWaalsContact O-N 3.16Å
1082T59.9Low58.1Low16 Ų1667.7 Ų67.710%0.09834%0.341CS..Hα-helixtrans-66.1-44.7169.25.20000112.1L1068 C1078 F1079 M1084 L1085 F1086L1068-T1082 HydrophobicContact CD2-CG2 3.74Å; C1078-T1082 PolarHBondContact O-N 3.07Å; C1078-T1082 PolarHBondContact O-OG1 2.85Å; C1078-T1082 VanDerWaalsContact O-OG1 3.12Å; F1079-T1082 WeakPolarHBondContact CA-OG1 3.4Å; F1079-T1082 PolarHBondContact O-N 2.9Å; F1079-T1082 PolarHBondContact O-OG1 2.87Å; T1082-M1084 PolarHBondContact O-N 3.21Å; T1082-L1085 VanDerWaalsContact O-CB 3.31Å; T1082-L1085 WeakPolarHBondContact O-CB 3.08Å; T1082-L1085 PolarHBondContact O-N 3.36Å; T1082-F1086 WeakPolarHBondContact O-CD2 3.28Å; T1082-F1086 PolarHBondContact O-N 2.72Å
1083F64.2Low58.5Low3 Ų364.8 Ų64.81%0.01333%0.326CS..Hα-helixtrans-63.6-40.1176.7-68.3-46.1000112.2F1079 L1085 F1086 L1087 V1108 V1111 A1125 A1126 A1129F1079-F1083 HydrophobicContact CB-CD2 4.3Å; F1079-F1083 HydrophobicContact CB-CE2 3.97Å; F1079-F1083 WeakPolarHBondContact O-CD2 3.3Å; F1079-F1083 WeakPolarHBondContact O-CG 3.34Å; F1079-F1083 PolarHBondContact O-N 2.86Å; F1083-L1085 VanDerWaalsContact C-N 3.27Å; F1083-L1085 PolarHBondContact O-N 2.81Å; F1083-F1086 PolarHBondContact O-N 2.95Å; F1083-L1087 WeakPolarHBondContact O-CB 3.46Å; F1083-L1087 WeakPolarHBondContact O-CD1 3.28Å; F1083-L1087 WeakPolarHBondContact O-CG 3.43Å; F1083-L1087 PolarHBondContact O-N 2.99Å; F1083-V1108 HydrophobicContact CD1-CG2 4.35Å; F1083-V1108 HydrophobicContact CE1-CG2 3.45Å; F1083-V1108 VanDerWaalsContact CE1-CG2 3.45Å; F1083-V1108 HydrophobicContact CE2-CG2 4.47Å; F1083-V1108 HydrophobicContact CZ-CB 4.49Å; F1083-V1108 HydrophobicContact CZ-CG2 3.53Å; F1083-V1111 HydrophobicContact CE2-CG2 4.38Å; F1083-A1125 HydrophobicContact CB-CB 4.3Å; F1083-A1126 HydrophobicContact CE2-CB 4.38Å; F1083-A1129 HydrophobicContact CB-CB 4.34Å; F1083-A1129 HydrophobicContact CD1-CB 3.77Å; F1083-A1129 HydrophobicContact CE1-CB 4.33Å; F1083-A1129 HydrophobicContact CG-CB 4.1Å
1084M62.4Low59Low100 Ų10062 Ų6249%0.49331%0.313SS..Hα-helixtrans-64-30.8175.9-77.1-67.8-74.200113.1P1080 T1082 L1087 R1088P1080-M1084 VanDerWaalsContact O-CB 3.25Å; P1080-M1084 WeakPolarHBondContact O-CB 3.31Å; P1080-M1084 WeakPolarHBondContact O-CG 3.07Å; P1080-M1084 PolarHBondContact O-N 3.41Å; T1082-M1084 PolarHBondContact O-N 3.21Å; M1084-L1087 PolarHBondContact O-N 3.24Å; M1084-L1087 HydrophobicContact SD-CD1 4.17Å; M1084-R1088 WeakPolarHBondContact O-CB 3.4Å; M1084-R1088 PolarHBondContact O-N 3.08Å
1085L61.8Low59.6Low21 Ų2161.2 Ų61.211%0.1130%0.304CS..Hα-helixtrans-65.3-44.1175.5-154.6158.7000110.9F1031 L1043 F1065 E1081 T1082 F1083F1031-L1085 HydrophobicContact CE2-CD1 4.48Å; F1031-L1085 HydrophobicContact CZ-CD1 4.02Å; L1043-L1085 HydrophobicContact CD2-CD1 3.45Å; L1043-L1085 VanDerWaalsContact CD2-CD1 3.45Å; L1043-L1085 HydrophobicContact CD2-CD2 3.71Å; L1043-L1085 HydrophobicContact CD2-CG 3.65Å; F1065-L1085 HydrophobicContact CE1-CD2 3.69Å; F1065-L1085 HydrophobicContact CZ-CD2 4.01Å; E1081-L1085 PolarHBondContact O-N 3.08Å; E1081-L1085 VanDerWaalsContact O-N 3.16Å; T1082-L1085 VanDerWaalsContact O-CB 3.31Å; T1082-L1085 WeakPolarHBondContact O-CB 3.08Å; T1082-L1085 PolarHBondContact O-N 3.36Å; F1083-L1085 VanDerWaalsContact C-N 3.27Å; F1083-L1085 PolarHBondContact O-N 2.81Å
1086F64.5Low60.2Low3 Ų356.4 Ų56.41%0.01328%0.282CS..Hα-helixtrans-68.3-40172.8-63.9-69.4000112.4F1065 L1069 T1082 F1083 R1088 F1089 L1100 L1104 M1132F1065-F1086 HydrophobicContact CD1-CZ 4.43Å; L1069-F1086 HydrophobicContact CD1-CE2 4.31Å; L1069-F1086 HydrophobicContact CD1-CZ 3.91Å; L1069-F1086 HydrophobicContact CD2-CE2 4Å; L1069-F1086 HydrophobicContact CD2-CZ 4.41Å; L1069-F1086 HydrophobicContact CG-CE2 4.39Å; L1069-F1086 HydrophobicContact CG-CZ 4.31Å; T1082-F1086 WeakPolarHBondContact O-CD2 3.28Å; T1082-F1086 PolarHBondContact O-N 2.72Å; F1083-F1086 PolarHBondContact O-N 2.95Å; F1086-R1088 VanDerWaalsContact C-N 3.33Å; F1086-R1088 PolarHBondContact O-N 3.45Å; F1086-F1089 PolarHBondContact O-N 3.46Å; F1086-L1100 HydrophobicContact CE1-CD1 4.19Å; F1086-L1104 HydrophobicContact CD1-CD1 4.23Å; F1086-L1104 HydrophobicContact CD2-CD1 3.87Å; F1086-L1104 HydrophobicContact CE1-CD1 4.45Å; F1086-L1104 HydrophobicContact CE2-CD1 4.13Å; F1086-L1104 HydrophobicContact CG-CD1 3.96Å; F1086-L1104 HydrophobicContact CZ-CD1 4.41Å; F1086-M1132 VanDerWaalsContact C-SD 3.52Å; F1086-M1132 HydrophobicContact CB-CE 3.8Å; F1086-M1132 HydrophobicContact CB-SD 3.69Å; F1086-M1132 VanDerWaalsContact O-SD 3.39Å
1087L58.9Low60.7Low42 Ų4251.5 Ų51.522%0.2226%0.26CS..Hα-helixtrans-67.3-27-178.6-73.7165.1000114.2F1083 M1084 P1090 E1128 M1132F1083-L1087 WeakPolarHBondContact O-CB 3.46Å; F1083-L1087 WeakPolarHBondContact O-CD1 3.28Å; F1083-L1087 WeakPolarHBondContact O-CG 3.43Å; F1083-L1087 PolarHBondContact O-N 2.99Å; M1084-L1087 PolarHBondContact O-N 3.24Å; M1084-L1087 HydrophobicContact SD-CD1 4.17Å; L1087-P1090 WeakPolarHBondContact O-CD 3.44Å; L1087-E1128 HydrophobicContact CD1-CB 3.74Å; L1087-E1128 HydrophobicContact CD2-CB 4.07Å; L1087-E1128 WeakPolarHBondContact CD2-O 3.43Å; L1087-M1132 HydrophobicContact CD2-CB 3.8Å; L1087-M1132 HydrophobicContact CD2-CG 4.42Å; L1087-M1132 HydrophobicContact CD2-SD 4.4Å
1088R60.1Low61.2Low156 Ų15650 Ų5059%0.58925%0.252SS*.Hα-helixtrans-83.5-19.4-179-163.3164.6-178.8156.3-1113.6M1084 F1086 P1090M1084-R1088 WeakPolarHBondContact O-CB 3.4Å; M1084-R1088 PolarHBondContact O-N 3.08Å; F1086-R1088 VanDerWaalsContact C-N 3.33Å; F1086-R1088 PolarHBondContact O-N 3.45Å; R1088-P1090 VanDerWaalsContact C-CD 3.4Å
1089F61.9Low61.8Low29 Ų2952.8 Ų52.813%0.12726%0.261CS..  trans-127.852.6177.8-55.9-70.2000114.1L1047 F1086 I1091 F1092 C1093L1047-F1089 HydrophobicContact CD1-CD2 4.34Å; F1086-F1089 PolarHBondContact O-N 3.46Å; F1089-I1091 VanDerWaalsContact C-N 3.29Å; F1089-I1091 PolarHBondContact O-N 3.08Å; F1089-F1092 HydrophobicContact CD1-CD2 4.5Å; F1089-F1092 PolarHBondContact O-N 3.19Å; F1089-C1093 PolarHBondContact O-N 3.03Å; F1089-C1093 VanDerWaalsContact O-N 3.11Å
1090P59.8Low62.3Low51 Ų5152 Ų5233%0.33126%0.258SS..Hα-helixtrans-65.8-29.7-171.926.5-33.9000113.1L1087 R1088 F1094 M1132 W1136L1087-P1090 WeakPolarHBondContact O-CD 3.44Å; R1088-P1090 VanDerWaalsContact C-CD 3.4Å; P1090-F1094 PolarHBondContact O-N 3.05Å; P1090-M1132 HydrophobicContact CB-CG 4.43Å; P1090-W1136 PolarHBondContact O-NE1 2.89Å
1091I61.2Low63Low138 Ų13851.1 Ų51.171%0.70825%0.251SS*.Hα-helixtrans-75.4-35.8-179-60169.2000111.5F1089 F1094F1089-I1091 VanDerWaalsContact C-N 3.29Å; F1089-I1091 PolarHBondContact O-N 3.08Å; I1091-F1094 WeakPolarHBondContact O-CB 3.4Å
1092F56.1Low63.9Low114 Ų11451.7 Ų51.750%0.526%0.258SS..Hα-helixtrans-87-31.2-175.7-64-75.2000112.7L1051 F1089 F1094 T1095L1051-F1092 HydrophobicContact CD1-CB 4.04Å; L1051-F1092 HydrophobicContact CD1-CD1 4.12Å; L1051-F1092 HydrophobicContact CD1-CG 4.28Å; F1089-F1092 HydrophobicContact CD1-CD2 4.5Å; F1089-F1092 PolarHBondContact O-N 3.19Å; F1092-F1094 VanDerWaalsContact C-N 3.28Å; F1092-F1094 PolarHBondContact O-N 3.22Å; F1092-T1095 PolarHBondContact O-OG1 3.17Å; F1092-T1095 VanDerWaalsContact O-OG1 3.09Å
1093C62.2Low64.5Low12 Ų1254.4 Ų54.48%0.08127%0.268CS..Hα-helixtrans-74.9-17.4172.9-65.90000113.1F1089 T1095 L1096 R1097 W1136F1089-C1093 PolarHBondContact O-N 3.03Å; F1089-C1093 VanDerWaalsContact O-N 3.11Å; C1093-T1095 PolarHBondContact O-N 3.33Å; C1093-L1096 PolarHBondContact O-N 3.23Å; C1093-R1097 PolarHBondContact O-N 2.76Å; C1093-W1136 HydrophobicContact CB-CH2 4.09Å; C1093-W1136 HydrophobicContact CB-CZ2 3.6Å
1094F64.9Low64.9Low45 Ų4554.3 Ų54.320%0.19727%0.268CS..G310 helixtrans-58.9-30.5178.4179.4-101.7000112.9P1090 I1091 F1092 L1096 R1097 W1136 A1139 R1140 L1143P1090-F1094 PolarHBondContact O-N 3.05Å; I1091-F1094 WeakPolarHBondContact O-CB 3.4Å; F1092-F1094 VanDerWaalsContact C-N 3.28Å; F1092-F1094 PolarHBondContact O-N 3.22Å; F1094-L1096 PolarHBondContact O-N 3.48Å; F1094-R1097 WeakPolarHBondContact O-CB 3.5Å; F1094-R1097 PolarHBondContact O-N 3.33Å; F1094-W1136 HydrophobicContact CD2-CB 4.09Å; F1094-W1136 AromaticContact CD2-CD1 3.9Å; F1094-W1136 HydrophobicContact CD2-CG 4.03Å; F1094-W1136 HydrophobicContact CE2-CB 4.4Å; F1094-W1136 VanDerWaalsContact CE2-O 3.28Å; F1094-W1136 WeakPolarHBondContact CE2-O 3.29Å; F1094-A1139 HydrophobicContact CD2-CB 4.26Å; F1094-A1139 HydrophobicContact CE2-CB 3.81Å; F1094-A1139 HydrophobicContact CZ-CB 4.08Å; F1094-R1140 HydrophobicContact CE2-CB 4.37Å; F1094-R1140 HydrophobicContact CZ-CB 4.31Å; F1094-L1143 HydrophobicContact CD1-CD1 4.45Å; F1094-L1143 HydrophobicContact CE1-CD1 3.34Å; F1094-L1143 HydrophobicContact CZ-CD1 3.65Å
1095T65.5Low65.3Low92 Ų9249.8 Ų49.856%0.56425%0.246SC*.G310 helixtrans-69.4-18.3177.257.80000113.6F1092 C1093F1092-T1095 PolarHBondContact O-OG1 3.17Å; F1092-T1095 VanDerWaalsContact O-OG1 3.09Å; C1093-T1095 PolarHBondContact O-N 3.33Å
1096L66.2Low65.9Low32 Ų3252.7 Ų52.717%0.16826%0.261CS..G310 helixtrans-105.97.4177.1-64.6171.3000112.6L1062 C1093 F1094 N1098 E1099 L1100L1062-L1096 HydrophobicContact CD1-CD2 4.41Å; C1093-L1096 PolarHBondContact O-N 3.23Å; F1094-L1096 PolarHBondContact O-N 3.48Å; L1096-N1098 VanDerWaalsContact C-N 3.3Å; L1096-N1098 PolarHBondContact O-N 3.06Å; L1096-N1098 VanDerWaalsContact O-N 3.14Å; L1096-E1099 PolarHBondContact O-N 2.84Å; L1096-E1099 VanDerWaalsContact O-N 3.16Å; L1096-L1100 HydrophobicContact CB-CD1 3.9Å; L1096-L1100 PolarHBondContact O-N 3.24Å
1097R64.4Low66.2Low10 Ų1052.6 Ų52.64%0.03826%0.261CS..Hα-helixtrans-45.3-49.1-172.3170.9-173.1166.2-94.2-6113.3C1093 F1094 E1099 L1100 M1101 W1136 E1137 R1140C1093-R1097 PolarHBondContact O-N 2.76Å; F1094-R1097 WeakPolarHBondContact O-CB 3.5Å; F1094-R1097 PolarHBondContact O-N 3.33Å; R1097-E1099 PolarHBondContact O-N 3.43Å; R1097-L1100 PolarHBondContact O-N 3.15Å; R1097-M1101 HydrophobicContact CG-CG 3.85Å; R1097-M1101 VanDerWaalsContact O-CB 3.29Å; R1097-M1101 WeakPolarHBondContact O-CB 3.47Å; R1097-M1101 WeakPolarHBondContact O-CG 3.45Å; R1097-M1101 PolarHBondContact O-N 2.98Å; R1097-M1101 VanDerWaalsContact O-N 3.13Å; R1097-W1136 HydrophobicContact CG-CE3 4.22Å; R1097-E1137 IonicContact CZ-OE2 3.37Å; R1097-E1137 IonicContact NE-OE2 3.56Å; R1097-E1137 PolarHBondContact NE-OE2 3.01Å; R1097-E1137 VanDerWaalsContact NH2-CD 3.25Å; R1097-E1137 IonicContact NH2-OE1 2.78Å; R1097-E1137 PolarHBondContact NH2-OE1 3.24Å; R1097-E1137 VanDerWaalsContact NH2-OE1 3.11Å; R1097-E1137 IonicContact NH2-OE2 2.77Å; R1097-E1137 PolarHBondContact NH2-OE2 3.34Å; R1097-R1140 VanDerWaalsContact NH2-NH1 3.14Å
1098N66.3Low66.8Low76 Ų7650.7 Ų50.741%0.40625%0.251SS..Hα-helixtrans-65.5-28-169.9-62.4-15.6000112.9L1096 L1156L1096-N1098 VanDerWaalsContact C-N 3.3Å; L1096-N1098 PolarHBondContact O-N 3.06Å; L1096-N1098 VanDerWaalsContact O-N 3.14Å; N1098-L1156 WeakPolarHBondContact ND2-CD2 3.44Å
1099E69Low67.4Low102 Ų10243.5 Ų43.548%0.47722%0.224SC..Hα-helixtrans-93.4-22.8-177.7-66.8-152.9-140.600114L1062 K1066 L1096 R1097L1062-E1099 HydrophobicContact CD1-CB 3.84Å; L1062-E1099 HydrophobicContact CD2-CB 4.35Å; L1062-E1099 VanDerWaalsContact CD2-OE2 3.3Å; L1062-E1099 WeakPolarHBondContact CD2-OE2 3.34Å; K1066-E1099 IonicContact NZ-OE2 2.71Å; K1066-E1099 PolarHBondContact NZ-OE2 3.16Å; L1096-E1099 PolarHBondContact O-N 2.84Å; L1096-E1099 VanDerWaalsContact O-N 3.16Å; R1097-E1099 PolarHBondContact O-N 3.43Å
1100L70.6Confident67.9Low0 Ų045.1 Ų45.10%024%0.237CC..Hα-helixtrans-92.2-28.2-179.4-73.6167.4000113.4L1062 F1065 L1069 F1086 L1096 R1097 F1103 L1104L1062-L1100 HydrophobicContact CD1-CD2 4.26Å; L1062-L1100 HydrophobicContact CD1-CG 4.1Å; F1065-L1100 HydrophobicContact CB-CD2 3.94Å; L1069-L1100 HydrophobicContact CD1-CD2 4.13Å; F1086-L1100 HydrophobicContact CE1-CD1 4.19Å; L1096-L1100 HydrophobicContact CB-CD1 3.9Å; L1096-L1100 PolarHBondContact O-N 3.24Å; R1097-L1100 PolarHBondContact O-N 3.15Å; L1100-F1103 PolarHBondContact O-N 3.29Å; L1100-L1104 WeakPolarHBondContact O-CB 3.36Å; L1100-L1104 PolarHBondContact O-N 3.37Å
1101M71.5Confident68.4Low4 Ų442.8 Ų42.82%0.0222%0.222CC..Hα-helixtrans-55.4-43-172.7-89.5-69.4-57.800115.4R1097 F1103 L1104 V1105 V1133 W1136 F1159R1097-M1101 HydrophobicContact CG-CG 3.85Å; R1097-M1101 VanDerWaalsContact O-CB 3.29Å; R1097-M1101 WeakPolarHBondContact O-CB 3.47Å; R1097-M1101 WeakPolarHBondContact O-CG 3.45Å; R1097-M1101 PolarHBondContact O-N 2.98Å; R1097-M1101 VanDerWaalsContact O-N 3.13Å; M1101-F1103 PolarHBondContact O-N 3.36Å; M1101-L1104 PolarHBondContact O-N 3.39Å; M1101-V1105 HydrophobicContact CE-CG2 4.02Å; M1101-V1105 WeakPolarHBondContact O-CB 3.43Å; M1101-V1105 WeakPolarHBondContact O-CG2 3.39Å; M1101-V1105 PolarHBondContact O-N 2.92Å; M1101-V1133 HydrophobicContact CE-CG1 3.51Å; M1101-V1133 HydrophobicContact SD-CB 4.36Å; M1101-V1133 HydrophobicContact SD-CG1 3.77Å; M1101-V1133 HydrophobicContact SD-CG2 3.9Å; M1101-W1136 HydrophobicContact CG-CE3 4.47Å; M1101-W1136 HydrophobicContact SD-CE3 4.06Å; M1101-W1136 HydrophobicContact SD-CZ3 4.36Å; M1101-F1159 HydrophobicContact CB-CD2 4.19Å; M1101-F1159 HydrophobicContact CB-CE2 3.78Å; M1101-F1159 HydrophobicContact CE-CD2 3.61Å; M1101-F1159 HydrophobicContact CE-CE1 4.27Å; M1101-F1159 HydrophobicContact CE-CE2 3.2Å; M1101-F1159 HydrophobicContact CE-CG 4.36Å; M1101-F1159 HydrophobicContact CE-CZ 3.57Å
1102P70.8Confident68.8Low40 Ų4036.2 Ų36.226%0.2619%0.188SC..Hα-helixtrans-61.9-43.7179.1-22.132.9000113L1106P1102-L1106 WeakPolarHBondContact O-CB 3.49Å; P1102-L1106 PolarHBondContact O-N 2.99Å; P1102-L1106 VanDerWaalsContact O-N 3.09Å
1103F71.4Confident69.4Low73 Ų7334.6 Ų34.632%0.3218%0.182SC..Hα-helixtrans-71-37.3-179.5-58.5-77.4000112.2K1066 L1069 V1070 L1100 M1101 T1107K1066-F1103 HydrophobicContact CG-CE2 4.43Å; L1069-F1103 HydrophobicContact CB-CB 4.32Å; L1069-F1103 HydrophobicContact CD1-CB 4.05Å; V1070-F1103 HydrophobicContact CG2-CD1 3.7Å; V1070-F1103 HydrophobicContact CG2-CE1 3.87Å; L1100-F1103 PolarHBondContact O-N 3.29Å; M1101-F1103 PolarHBondContact O-N 3.36Å; F1103-T1107 WeakPolarHBondContact O-CB 3.24Å; F1103-T1107 WeakPolarHBondContact O-CG2 3.38Å; F1103-T1107 PolarHBondContact O-N 3.39Å; F1103-T1107 PolarHBondContact O-OG1 2.86Å
1104L72.7Confident69.6Low1 Ų135.3 Ų35.31%0.00519%0.187CC..Hα-helixtrans-69.7-37.3178.4-153.5146.6000111.4F1086 L1100 M1101 T1107 V1108 M1132 V1133F1086-L1104 HydrophobicContact CD1-CD1 4.23Å; F1086-L1104 HydrophobicContact CD2-CD1 3.87Å; F1086-L1104 HydrophobicContact CE1-CD1 4.45Å; F1086-L1104 HydrophobicContact CE2-CD1 4.13Å; F1086-L1104 HydrophobicContact CG-CD1 3.96Å; F1086-L1104 HydrophobicContact CZ-CD1 4.41Å; L1100-L1104 WeakPolarHBondContact O-CB 3.36Å; L1100-L1104 PolarHBondContact O-N 3.37Å; M1101-L1104 PolarHBondContact O-N 3.39Å; L1104-T1107 WeakPolarHBondContact CA-OG1 3.41Å; L1104-T1107 PolarHBondContact O-OG1 2.89Å; L1104-V1108 HydrophobicContact CD2-CG2 4.12Å; L1104-V1108 WeakPolarHBondContact O-CB 3.35Å; L1104-V1108 WeakPolarHBondContact O-CG2 3.5Å; L1104-V1108 PolarHBondContact O-N 3.3Å; L1104-M1132 HydrophobicContact CD1-CE 3.93Å; L1104-M1132 HydrophobicContact CD2-CE 4.33Å; L1104-V1133 HydrophobicContact CD2-CG2 3.87Å
1105V72.3Confident69.2Low5 Ų536.4 Ų36.43%0.0320%0.204CC..Hα-helixtrans-71-38.5176.2167.60000112.2M1101 V1108 S1109 F1159 H1163 L1167M1101-V1105 HydrophobicContact CE-CG2 4.02Å; M1101-V1105 WeakPolarHBondContact O-CB 3.43Å; M1101-V1105 WeakPolarHBondContact O-CG2 3.39Å; M1101-V1105 PolarHBondContact O-N 2.92Å; V1105-V1108 PolarHBondContact O-N 2.88Å; V1105-S1109 VanDerWaalsContact O-CB 3.31Å; V1105-S1109 WeakPolarHBondContact O-CB 3.43Å; V1105-S1109 PolarHBondContact O-N 3.28Å; V1105-S1109 PolarHBondContact O-OG 3.45Å; V1105-F1159 HydrophobicContact CB-CZ 4.24Å; V1105-F1159 HydrophobicContact CG1-CZ 4.4Å; V1105-F1159 HydrophobicContact CG2-CE2 4.45Å; V1105-F1159 HydrophobicContact CG2-CZ 3.72Å; V1105-H1163 HydrophobicContact CG1-CB 4.01Å; V1105-H1163 WeakPolarHBondContact CG1-O 3.11Å; V1105-L1167 HydrophobicContact CB-CD1 4.5Å; V1105-L1167 HydrophobicContact CG1-CB 4.03Å; V1105-L1167 HydrophobicContact CG1-CD1 3.93Å; V1105-L1167 HydrophobicContact CG2-CD1 4.42Å
1106L73Confident68.8Low81 Ų8136 Ų3642%0.42420%0.204SC..Hα-helixtrans-65.4-41175.5-166.279.1000112.6P1102 S1109 T1110P1102-L1106 WeakPolarHBondContact O-CB 3.49Å; P1102-L1106 PolarHBondContact O-N 2.99Å; P1102-L1106 VanDerWaalsContact O-N 3.09Å; L1106-S1109 PolarHBondContact O-OG 3.36Å; L1106-T1110 VanDerWaalsContact O-CG2 3.31Å; L1106-T1110 WeakPolarHBondContact O-CG2 3.44Å; L1106-T1110 PolarHBondContact O-N 3.22Å; L1106-T1110 VanDerWaalsContact O-N 3.1Å; L1106-T1110 PolarHBondContact O-OG1 3.19Å
1107T70.8Confident68.1Low2 Ų238 Ų381%0.01222%0.215CC..Hα-helixtrans-70.5-37.7177.347.60000112L1069 F1079 F1103 L1104 T1110 V1111L1069-T1107 HydrophobicContact CD2-CG2 4.34Å; F1079-T1107 HydrophobicContact CE1-CG2 4.25Å; F1103-T1107 WeakPolarHBondContact O-CB 3.24Å; F1103-T1107 WeakPolarHBondContact O-CG2 3.38Å; F1103-T1107 PolarHBondContact O-N 3.39Å; F1103-T1107 PolarHBondContact O-OG1 2.86Å; L1104-T1107 WeakPolarHBondContact CA-OG1 3.41Å; L1104-T1107 PolarHBondContact O-OG1 2.89Å; T1107-T1110 WeakPolarHBondContact CA-OG1 3.48Å; T1107-T1110 PolarHBondContact O-OG1 3.45Å; T1107-V1111 VanDerWaalsContact O-CG2 3.3Å; T1107-V1111 WeakPolarHBondContact O-CG2 3.25Å; T1107-V1111 PolarHBondContact O-N 3.27Å
1108V73.2Confident67.6Low2 Ų245.1 Ų45.11%0.01225%0.253CS..Hα-helixtrans-68.2-42.9174170.50000111.4F1083 L1104 V1105 T1110 V1111 L1112 A1129 V1130 L1167F1083-V1108 HydrophobicContact CD1-CG2 4.35Å; F1083-V1108 HydrophobicContact CE1-CG2 3.45Å; F1083-V1108 VanDerWaalsContact CE1-CG2 3.45Å; F1083-V1108 HydrophobicContact CE2-CG2 4.47Å; F1083-V1108 HydrophobicContact CZ-CB 4.49Å; F1083-V1108 HydrophobicContact CZ-CG2 3.53Å; L1104-V1108 HydrophobicContact CD2-CG2 4.12Å; L1104-V1108 WeakPolarHBondContact O-CB 3.35Å; L1104-V1108 WeakPolarHBondContact O-CG2 3.5Å; L1104-V1108 PolarHBondContact O-N 3.3Å; V1105-V1108 PolarHBondContact O-N 2.88Å; V1108-T1110 VanDerWaalsContact C-N 3.34Å; V1108-T1110 PolarHBondContact O-N 3.12Å; V1108-V1111 PolarHBondContact O-N 3.16Å; V1108-L1112 HydrophobicContact CG1-CD1 3.65Å; V1108-L1112 HydrophobicContact CG1-CG 4.22Å; V1108-L1112 WeakPolarHBondContact O-CB 3.34Å; V1108-L1112 VanDerWaalsContact O-CG 3.27Å; V1108-L1112 WeakPolarHBondContact O-CG 3.5Å; V1108-L1112 PolarHBondContact O-N 3.34Å; V1108-A1129 HydrophobicContact CG2-CB 4.18Å; V1108-V1130 HydrophobicContact CG1-CG2 3.58Å; V1108-L1167 HydrophobicContact CB-CD1 4.21Å; V1108-L1167 HydrophobicContact CG1-CD1 3.77Å
1109S71.8Confident67.2Low4 Ų442.8 Ų42.83%0.02825%0.245CC..Hα-helixtrans-64.6-37.6-179.668.50000112.1V1105 L1106 L1112 H1113V1105-S1109 VanDerWaalsContact O-CB 3.31Å; V1105-S1109 WeakPolarHBondContact O-CB 3.43Å; V1105-S1109 PolarHBondContact O-N 3.28Å; V1105-S1109 PolarHBondContact O-OG 3.45Å; L1106-S1109 PolarHBondContact O-OG 3.36Å; S1109-L1112 PolarHBondContact O-N 3.15Å; S1109-H1113 PolarHBondContact O-N 3.26Å; S1109-H1113 VanDerWaalsContact O-N 3.14Å; S1109-H1113 PolarHBondContact O-ND1 3.39Å
1110T72Confident67.1Low63 Ų6341.7 Ų41.739%0.38724%0.239SC..Hα-helixtrans-67.8-41.517548.10000112.7L1106 T1107 V1108 H1113L1106-T1110 VanDerWaalsContact O-CG2 3.31Å; L1106-T1110 WeakPolarHBondContact O-CG2 3.44Å; L1106-T1110 PolarHBondContact O-N 3.22Å; L1106-T1110 VanDerWaalsContact O-N 3.1Å; L1106-T1110 PolarHBondContact O-OG1 3.19Å; T1107-T1110 WeakPolarHBondContact CA-OG1 3.48Å; T1107-T1110 PolarHBondContact O-OG1 3.45Å; V1108-T1110 VanDerWaalsContact C-N 3.34Å; V1108-T1110 PolarHBondContact O-N 3.12Å; T1110-H1113 PolarHBondContact O-N 2.82Å
1111V71.4Confident66.8Low3 Ų347.2 Ų47.22%0.01827%0.268CS..Hα-helixtrans-63.4-41.9174.8171.50000111.4F1079 F1083 T1107 V1108 H1113 S1114 A1126F1079-V1111 HydrophobicContact CB-CG2 4.43Å; F1079-V1111 HydrophobicContact CD2-CG2 4.32Å; F1079-V1111 HydrophobicContact CG-CG2 4.19Å; F1083-V1111 HydrophobicContact CE2-CG2 4.38Å; T1107-V1111 VanDerWaalsContact O-CG2 3.3Å; T1107-V1111 WeakPolarHBondContact O-CG2 3.25Å; T1107-V1111 PolarHBondContact O-N 3.27Å; V1108-V1111 PolarHBondContact O-N 3.16Å; V1111-H1113 VanDerWaalsContact C-N 3.34Å; V1111-H1113 PolarHBondContact O-N 3.47Å; V1111-S1114 PolarHBondContact O-N 3.45Å; V1111-S1114 PolarHBondContact O-OG 2.85Å; V1111-A1126 HydrophobicContact CG1-CB 4.03Å
1112L69.6Low66.5Low0 Ų047.7 Ų47.70%027%0.272CS..Hα-helixtrans-66.9-31179.7-72.9171.6000113.3V1108 S1109 S1114 F1127 A1170 L1171 Q1174V1108-L1112 HydrophobicContact CG1-CD1 3.65Å; V1108-L1112 HydrophobicContact CG1-CG 4.22Å; V1108-L1112 WeakPolarHBondContact O-CB 3.34Å; V1108-L1112 VanDerWaalsContact O-CG 3.27Å; V1108-L1112 WeakPolarHBondContact O-CG 3.5Å; V1108-L1112 PolarHBondContact O-N 3.34Å; S1109-L1112 PolarHBondContact O-N 3.15Å; L1112-S1114 VanDerWaalsContact C-N 3.3Å; L1112-S1114 PolarHBondContact O-N 2.93Å; L1112-F1127 HydrophobicContact CD2-CD1 4.36Å; L1112-F1127 HydrophobicContact CD2-CE1 3.9Å; L1112-F1127 HydrophobicContact CD2-CZ 4Å; L1112-A1170 HydrophobicContact CB-CB 3.94Å; L1112-A1170 HydrophobicContact CD1-CB 4.35Å; L1112-L1171 HydrophobicContact CD1-CD2 3.71Å; L1112-L1171 HydrophobicContact CD1-CG 4.06Å; L1112-L1171 HydrophobicContact CD2-CD2 4.38Å; L1112-Q1174 VanDerWaalsContact O-CD 3.3Å; L1112-Q1174 PolarHBondContact O-NE2 3.32Å; L1112-Q1174 PolarHBondContact O-OE1 2.96Å
1113H67.6Low66.4Low79 Ų7946.5 Ų46.537%0.36626%0.262SS..THydrogen-bonded Turntrans-75.1-11.4175.9-81.989.9000114.3S1109 T1110 V1111 Y1169 A1170S1109-H1113 PolarHBondContact O-N 3.26Å; S1109-H1113 VanDerWaalsContact O-N 3.14Å; S1109-H1113 PolarHBondContact O-ND1 3.39Å; T1110-H1113 PolarHBondContact O-N 2.82Å; V1111-H1113 VanDerWaalsContact C-N 3.34Å; V1111-H1113 PolarHBondContact O-N 3.47Å; H1113-Y1169 AromaticContact NE2-CD1 3.69Å; H1113-Y1169 AromaticContact NE2-CE1 3.92Å; H1113-A1170 VanDerWaalsContact CE1-CA 3.49Å; H1113-A1170 WeakPolarHBondContact CE1-CA 3.49Å; H1113-A1170 WeakPolarHBondContact CE1-CB 3.37Å; H1113-A1170 WeakPolarHBondContact ND1-CB 3.39Å
1114S66.7Low66.5Low28 Ų2846.8 Ų46.820%0.19626%0.263CS..  trans-77.3133.6-175.574.10000114V1111 L1112 C1116 K1123V1111-S1114 PolarHBondContact O-N 3.45Å; V1111-S1114 PolarHBondContact O-OG 2.85Å; L1112-S1114 VanDerWaalsContact C-N 3.3Å; L1112-S1114 PolarHBondContact O-N 2.93Å; S1114-C1116 PolarHBondContact O-N 3.36Å; S1114-K1123 PolarHBondContact O-NZ 3.02Å
1115A55.6Low66.4Low68 Ų6847 Ų4756%0.56227%0.265SS*.  trans-80.5-10.9-172.600000115.7R1181A1115-R1181 PolarHBondContact O-NH1 3.24Å; A1115-R1181 VanDerWaalsContact O-NH1 3.16Å
1116C57.3Low66.4Low82 Ų8246.8 Ų46.855%0.55426%0.264SS*.  trans-79.3136.6-173-134.60000112.1S1114 K1123S1114-C1116 PolarHBondContact O-N 3.36Å; C1116-K1123 WeakPolarHBondContact O-CE 3.23Å; C1116-K1123 PolarHBondContact O-NZ 2.8Å
1117L52.7Low66.6Low76 Ų7643.1 Ų43.140%0.39824%0.244SC..  trans-94.9-12.2-179-90.2161.8000113.3A1119 R1181 L1199L1117-A1119 PolarHBondContact O-N 2.96Å; L1117-R1181 VanDerWaalsContact CD1-NH1 3.31Å; L1117-L1199 HydrophobicContact CD2-CD2 3.91Å
1118D54.1Low66.7Low158 Ų15846.4 Ų46.485%0.84526%0.26SS*.SBendtrans-69.93.9-172.9-65.5-17.9000114.5
1119A58Low66.7Low28 Ų2846.4 Ų46.423%0.23126%0.26CS..  trans-131.158.1-178.800000111.7L1117 D1121 T1122 K1123L1117-A1119 PolarHBondContact O-N 2.96Å; A1119-D1121 PolarHBondContact O-N 3.24Å; A1119-T1122 HydrophobicContact CB-CG2 3.58Å; A1119-T1122 WeakPolarHBondContact CB-OG1 3.48Å; A1119-T1122 PolarHBondContact O-N 3.34Å; A1119-T1122 PolarHBondContact O-OG1 3.25Å; A1119-K1123 PolarHBondContact O-N 3.45Å
1120F66.8Low66.9Low79 Ų7946.3 Ų46.335%0.34626%0.259SS..Hα-helixtrans-49.3-43.2173.3178.4-95.5000112.1T1122 K1123 K1124 D1198 L1202F1120-T1122 PolarHBondContact O-N 3.36Å; F1120-K1123 PolarHBondContact O-N 3.45Å; F1120-K1124 HydrophobicContact CE1-CD 4.42Å; F1120-K1124 WeakPolarHBondContact O-CB 3.39Å; F1120-K1124 PolarHBondContact O-N 3.01Å; F1120-D1198 HydrophobicContact CE2-CB 3.84Å; F1120-D1198 HydrophobicContact CZ-CB 4.33Å; F1120-L1202 HydrophobicContact CD2-CD1 3.62Å; F1120-L1202 HydrophobicContact CD2-CG 4.38Å; F1120-L1202 HydrophobicContact CE2-CD1 3.49Å; F1120-L1202 VanDerWaalsContact CE2-CD1 3.49Å; F1120-L1202 HydrophobicContact CE2-CD2 4.31Å; F1120-L1202 HydrophobicContact CE2-CG 3.78Å
1121D62.8Low67.1Low115 Ų11545.1 Ų45.162%0.61525%0.25SS*.Hα-helixtrans-67.1-32.3178.8-68.3-27.7000113.3A1119 A1125A1119-D1121 PolarHBondContact O-N 3.24Å; D1121-A1125 VanDerWaalsContact O-CB 3.28Å; D1121-A1125 WeakPolarHBondContact O-CB 3.5Å; D1121-A1125 PolarHBondContact O-N 2.67Å
1122T66.3Low67.3Low15 Ų1545.2 Ų45.29%0.09225%0.251CS..Hα-helixtrans-70.9-42.4177.765.70000111.3P1080 A1119 F1120 A1125 A1126P1080-T1122 HydrophobicContact CG-CG2 3.31Å; A1119-T1122 HydrophobicContact CB-CG2 3.58Å; A1119-T1122 WeakPolarHBondContact CB-OG1 3.48Å; A1119-T1122 PolarHBondContact O-N 3.34Å; A1119-T1122 PolarHBondContact O-OG1 3.25Å; F1120-T1122 PolarHBondContact O-N 3.36Å; T1122-A1125 PolarHBondContact O-N 2.93Å; T1122-A1126 WeakPolarHBondContact O-CB 3.3Å; T1122-A1126 PolarHBondContact O-N 3.25Å
1123K69.4Low67.6Low15 Ų1545.7 Ų45.77%0.06525%0.254CS..Hα-helixtrans-69.1-39.4178.1-71.5-178174.4179.50111.3S1114 C1116 A1119 F1120 A1126 F1127 Q1174S1114-K1123 PolarHBondContact O-NZ 3.02Å; C1116-K1123 WeakPolarHBondContact O-CE 3.23Å; C1116-K1123 PolarHBondContact O-NZ 2.8Å; A1119-K1123 PolarHBondContact O-N 3.45Å; F1120-K1123 PolarHBondContact O-N 3.45Å; K1123-A1126 PolarHBondContact O-N 2.81Å; K1123-F1127 WeakPolarHBondContact O-CD2 3.44Å; K1123-F1127 PolarHBondContact O-N 3.17Å; K1123-Q1174 VanDerWaalsContact CE-NE2 3.32Å; K1123-Q1174 VanDerWaalsContact NZ-NE2 3.17Å
1124K73Confident67.8Low78 Ų7842.1 Ų42.134%0.33924%0.237SC..Hα-helixtrans-60.9-47.8172.5-174.6-177.1173.1-171.40111.6F1120 A1126 F1127 E1128F1120-K1124 HydrophobicContact CE1-CD 4.42Å; F1120-K1124 WeakPolarHBondContact O-CB 3.39Å; F1120-K1124 PolarHBondContact O-N 3.01Å; K1124-A1126 VanDerWaalsContact C-N 3.3Å; K1124-A1126 PolarHBondContact O-N 3.5Å; K1124-F1127 PolarHBondContact O-N 2.97Å; K1124-E1128 VanDerWaalsContact CE-OE1 3.27Å; K1124-E1128 WeakPolarHBondContact CE-OE1 3.25Å; K1124-E1128 PolarHBondContact O-N 3.43Å
1125A69.3Low68Low6 Ų647.6 Ų47.65%0.0526%0.257CS..Hα-helixtrans-61.3-37.2176.400000112.2P1080 F1083 D1121 T1122 E1128 A1129P1080-A1125 HydrophobicContact CB-CB 4.27Å; F1083-A1125 HydrophobicContact CB-CB 4.3Å; D1121-A1125 VanDerWaalsContact O-CB 3.28Å; D1121-A1125 WeakPolarHBondContact O-CB 3.5Å; D1121-A1125 PolarHBondContact O-N 2.67Å; T1122-A1125 PolarHBondContact O-N 2.93Å; A1125-E1128 PolarHBondContact O-N 3.41Å; A1125-A1129 WeakPolarHBondContact O-CB 3.44Å; A1125-A1129 PolarHBondContact O-N 2.93Å
1126A73.3Confident69Low0 Ų044.6 Ų44.60%023%0.231CC..Hα-helixtrans-64.6-43.8173.900000112.4F1083 V1111 T1122 K1123 K1124 E1128 A1129 V1130F1083-A1126 HydrophobicContact CE2-CB 4.38Å; V1111-A1126 HydrophobicContact CG1-CB 4.03Å; T1122-A1126 WeakPolarHBondContact O-CB 3.3Å; T1122-A1126 PolarHBondContact O-N 3.25Å; K1123-A1126 PolarHBondContact O-N 2.81Å; K1124-A1126 VanDerWaalsContact C-N 3.3Å; K1124-A1126 PolarHBondContact O-N 3.5Å; A1126-E1128 VanDerWaalsContact C-N 3.35Å; A1126-E1128 PolarHBondContact O-N 3.34Å; A1126-A1129 WeakPolarHBondContact O-CB 3.36Å; A1126-A1129 PolarHBondContact O-N 2.96Å; A1126-V1130 WeakPolarHBondContact O-CG2 3.49Å; A1126-V1130 PolarHBondContact O-N 3.43Å
1127F77.4Confident69.6Low4 Ų441 Ų412%0.01821%0.207CC..Hα-helixtrans-64.3-37173.9-72-60.4000112.7L1112 K1123 K1124 V1130 N1131 L1171 L1202 C1206L1112-F1127 HydrophobicContact CD2-CD1 4.36Å; L1112-F1127 HydrophobicContact CD2-CE1 3.9Å; L1112-F1127 HydrophobicContact CD2-CZ 4Å; K1123-F1127 WeakPolarHBondContact O-CD2 3.44Å; K1123-F1127 PolarHBondContact O-N 3.17Å; K1124-F1127 PolarHBondContact O-N 2.97Å; F1127-V1130 PolarHBondContact O-N 2.93Å; F1127-N1131 PolarHBondContact O-N 3.28Å; F1127-N1131 PolarHBondContact O-ND2 3.25Å; F1127-L1171 HydrophobicContact CD1-CD2 4.02Å; F1127-L1171 HydrophobicContact CE1-CD2 3.62Å; F1127-L1202 HydrophobicContact CD2-CD2 4.06Å; F1127-L1202 HydrophobicContact CE2-CD2 4.04Å; F1127-C1206 HydrophobicContact CE1-CB 3.89Å; F1127-C1206 HydrophobicContact CZ-CB 3.97Å
1128E73.1Confident70.4Confident72 Ų7240.2 Ų40.234%0.33620%0.202SC..Hα-helixtrans-65.9-38.3173.1-72.9-179.5-17000111.5L1087 K1124 A1125 A1126 N1131 M1132L1087-E1128 HydrophobicContact CD1-CB 3.74Å; L1087-E1128 HydrophobicContact CD2-CB 4.07Å; L1087-E1128 WeakPolarHBondContact CD2-O 3.43Å; K1124-E1128 VanDerWaalsContact CE-OE1 3.27Å; K1124-E1128 WeakPolarHBondContact CE-OE1 3.25Å; K1124-E1128 PolarHBondContact O-N 3.43Å; A1125-E1128 PolarHBondContact O-N 3.41Å; A1126-E1128 VanDerWaalsContact C-N 3.35Å; A1126-E1128 PolarHBondContact O-N 3.34Å; E1128-N1131 CarbonylContact O-C 3.55Å; E1128-N1131 WeakPolarHBondContact O-CB 3.49Å; E1128-N1131 PolarHBondContact O-N 3.01Å; E1128-M1132 PolarHBondContact O-N 3.02Å
1129A73.7Confident71Confident2 Ų234.4 Ų34.42%0.01718%0.176CC..Hα-helixtrans-63.9-40.3173.300000112.3F1083 V1108 A1125 A1126 N1131 M1132 V1133F1083-A1129 HydrophobicContact CB-CB 4.34Å; F1083-A1129 HydrophobicContact CD1-CB 3.77Å; F1083-A1129 HydrophobicContact CE1-CB 4.33Å; F1083-A1129 HydrophobicContact CG-CB 4.1Å; V1108-A1129 HydrophobicContact CG2-CB 4.18Å; A1125-A1129 WeakPolarHBondContact O-CB 3.44Å; A1125-A1129 PolarHBondContact O-N 2.93Å; A1126-A1129 WeakPolarHBondContact O-CB 3.36Å; A1126-A1129 PolarHBondContact O-N 2.96Å; A1129-N1131 VanDerWaalsContact C-N 3.3Å; A1129-N1131 PolarHBondContact O-N 3.32Å; A1129-M1132 WeakPolarHBondContact O-CA 3.39Å; A1129-M1132 VanDerWaalsContact O-CB 3.31Å; A1129-M1132 WeakPolarHBondContact O-CB 3.42Å; A1129-M1132 PolarHBondContact O-N 2.66Å; A1129-M1132 VanDerWaalsContact O-N 3.08Å; A1129-V1133 WeakPolarHBondContact O-CG2 3.36Å; A1129-V1133 PolarHBondContact O-N 2.89Å
1130V75.2Confident71.4Confident2 Ų234.6 Ų34.61%0.01217%0.171CC..Hα-helixtrans-60.7-41.1171.2177.80000111.1V1108 A1126 F1127 M1132 V1133 M1134 L1167 L1171 V1209V1108-V1130 HydrophobicContact CG1-CG2 3.58Å; A1126-V1130 WeakPolarHBondContact O-CG2 3.49Å; A1126-V1130 PolarHBondContact O-N 3.43Å; F1127-V1130 PolarHBondContact O-N 2.93Å; V1130-M1132 VanDerWaalsContact C-N 3.31Å; V1130-M1132 PolarHBondContact O-N 2.91Å; V1130-V1133 PolarHBondContact O-N 2.97Å; V1130-M1134 PolarHBondContact O-N 3.47Å; V1130-L1167 HydrophobicContact CG1-CD2 4.27Å; V1130-L1167 HydrophobicContact CG2-CD1 4.31Å; V1130-L1171 HydrophobicContact CG1-CD1 4.44Å; V1130-V1209 HydrophobicContact CB-CG1 4.38Å; V1130-V1209 HydrophobicContact CG1-CG1 3.56Å
1131N75Confident71.2Confident37 Ų3735.5 Ų35.520%0.19817%0.172CC..Hα-helixtrans-64.1-34.2173.5-83.8-54.6000112.6F1127 E1128 A1129 M1134 K1135 R1212F1127-N1131 PolarHBondContact O-N 3.28Å; F1127-N1131 PolarHBondContact O-ND2 3.25Å; E1128-N1131 CarbonylContact O-C 3.55Å; E1128-N1131 WeakPolarHBondContact O-CB 3.49Å; E1128-N1131 PolarHBondContact O-N 3.01Å; A1129-N1131 VanDerWaalsContact C-N 3.3Å; A1129-N1131 PolarHBondContact O-N 3.32Å; N1131-M1134 PolarHBondContact O-N 3.34Å; N1131-M1134 WeakPolarHBondContact OD1-CE 3.31Å; N1131-K1135 WeakPolarHBondContact O-CG 3.32Å; N1131-K1135 PolarHBondContact O-N 2.81Å; N1131-R1212 PolarHBondContact OD1-NH1 3.15Å
1132M76.9Confident70.9Confident6 Ų636.6 Ų36.63%0.0317%0.171CC..Hα-helixtrans-64.9-45.5173.1-175.6-166.573.300111.4F1086 L1087 P1090 L1104 E1128 A1129 V1130 M1134 K1135 W1136F1086-M1132 VanDerWaalsContact C-SD 3.52Å; F1086-M1132 HydrophobicContact CB-CE 3.8Å; F1086-M1132 HydrophobicContact CB-SD 3.69Å; F1086-M1132 VanDerWaalsContact O-SD 3.39Å; L1087-M1132 HydrophobicContact CD2-CB 3.8Å; L1087-M1132 HydrophobicContact CD2-CG 4.42Å; L1087-M1132 HydrophobicContact CD2-SD 4.4Å; P1090-M1132 HydrophobicContact CB-CG 4.43Å; L1104-M1132 HydrophobicContact CD1-CE 3.93Å; L1104-M1132 HydrophobicContact CD2-CE 4.33Å; E1128-M1132 PolarHBondContact O-N 3.02Å; A1129-M1132 WeakPolarHBondContact O-CA 3.39Å; A1129-M1132 VanDerWaalsContact O-CB 3.31Å; A1129-M1132 WeakPolarHBondContact O-CB 3.42Å; A1129-M1132 PolarHBondContact O-N 2.66Å; A1129-M1132 VanDerWaalsContact O-N 3.08Å; V1130-M1132 VanDerWaalsContact C-N 3.31Å; V1130-M1132 PolarHBondContact O-N 2.91Å; M1132-M1134 VanDerWaalsContact C-N 3.28Å; M1132-M1134 PolarHBondContact O-N 3.45Å; M1132-K1135 CarbonylContact O-C 3.58Å; M1132-K1135 WeakPolarHBondContact O-CB 3.31Å; M1132-K1135 PolarHBondContact O-N 3.38Å; M1132-K1135 VanDerWaalsContact O-N 3.08Å; M1132-W1136 HydrophobicContact CE-CD2 4.38Å; M1132-W1136 HydrophobicContact CE-CE3 4.27Å; M1132-W1136 HydrophobicContact CE-CH2 3.44Å; M1132-W1136 VanDerWaalsContact CE-CH2 3.44Å; M1132-W1136 HydrophobicContact CE-CZ2 3.55Å; M1132-W1136 HydrophobicContact CE-CZ3 3.83Å; M1132-W1136 HydrophobicContact CG-CD2 4.46Å; M1132-W1136 HydrophobicContact CG-CZ2 4.28Å; M1132-W1136 PolarHBondContact O-N 2.93Å; M1132-W1136 HydrophobicContact SD-CH2 4.23Å; M1132-W1136 HydrophobicContact SD-CZ2 3.72Å
1133V75.5Confident70.5Confident9 Ų940.7 Ų40.76%0.05519%0.192CC..Hα-helixtrans-56.9-44.1174.4169.70000110.6M1101 L1104 A1129 V1130 W1136 E1137M1101-V1133 HydrophobicContact CE-CG1 3.51Å; M1101-V1133 HydrophobicContact SD-CB 4.36Å; M1101-V1133 HydrophobicContact SD-CG1 3.77Å; M1101-V1133 HydrophobicContact SD-CG2 3.9Å; L1104-V1133 HydrophobicContact CD2-CG2 3.87Å; A1129-V1133 WeakPolarHBondContact O-CG2 3.36Å; A1129-V1133 PolarHBondContact O-N 2.89Å; V1130-V1133 PolarHBondContact O-N 2.97Å; V1133-W1136 PolarHBondContact O-N 3.34Å; V1133-E1137 PolarHBondContact O-N 3.32Å
1134M72.3Confident69.8Low5 Ų545.3 Ų45.33%0.02522%0.217CC..Hα-helixtrans-62.4-43.6173.3-73.3-161.7-72.200112.5V1130 N1131 M1132 W1136 E1137 I1138 V1209 R1212 M1213V1130-M1134 PolarHBondContact O-N 3.47Å; N1131-M1134 PolarHBondContact O-N 3.34Å; N1131-M1134 WeakPolarHBondContact OD1-CE 3.31Å; M1132-M1134 VanDerWaalsContact C-N 3.28Å; M1132-M1134 PolarHBondContact O-N 3.45Å; M1134-W1136 VanDerWaalsContact C-N 3.32Å; M1134-W1136 PolarHBondContact O-N 3.39Å; M1134-E1137 PolarHBondContact O-N 3.08Å; M1134-E1137 VanDerWaalsContact O-N 3.08Å; M1134-I1138 WeakPolarHBondContact O-CG1 3.45Å; M1134-I1138 PolarHBondContact O-N 3.14Å; M1134-V1209 HydrophobicContact CE-CB 4.46Å; M1134-V1209 HydrophobicContact CE-CG1 3.99Å; M1134-V1209 HydrophobicContact CE-CG2 4.38Å; M1134-R1212 HydrophobicContact CE-CB 4.06Å; M1134-R1212 HydrophobicContact SD-CB 3.71Å; M1134-M1213 HydrophobicContact CE-CG 4.49Å; M1134-M1213 HydrophobicContact CG-CG 4.32Å; M1134-M1213 HydrophobicContact CG-SD 3.54Å; M1134-M1213 VanDerWaalsContact CG-SD 3.54Å; M1134-M1213 HydrophobicContact SD-CG 3.63Å; M1134-M1213 HydrophobicContact SD-SD 3.65Å; M1134-M1213 VanDerWaalsContact SD-SD 3.65Å
1135K70.8Confident68.7Low142 Ų14245.8 Ų45.862%0.61723%0.23SC*.Hα-helixtrans-62.3-37.2176.4-76.5176-179.7178.90112.3N1131 M1132 E1137 I1138 A1139N1131-K1135 WeakPolarHBondContact O-CG 3.32Å; N1131-K1135 PolarHBondContact O-N 2.81Å; M1132-K1135 CarbonylContact O-C 3.58Å; M1132-K1135 WeakPolarHBondContact O-CB 3.31Å; M1132-K1135 PolarHBondContact O-N 3.38Å; M1132-K1135 VanDerWaalsContact O-N 3.08Å; K1135-E1137 VanDerWaalsContact C-N 3.31Å; K1135-I1138 PolarHBondContact O-N 2.89Å; K1135-A1139 WeakPolarHBondContact O-CB 3.46Å; K1135-A1139 PolarHBondContact O-N 3.12Å
1136W76.8Confident67.8Low5 Ų550.1 Ų50.12%0.01926%0.259CS..Hα-helixtrans-62.6-39.3171.6-73.9-7.7000111.1P1090 C1093 F1094 R1097 M1101 M1132 V1133 M1134 A1139 R1140P1090-W1136 PolarHBondContact O-NE1 2.89Å; C1093-W1136 HydrophobicContact CB-CH2 4.09Å; C1093-W1136 HydrophobicContact CB-CZ2 3.6Å; F1094-W1136 HydrophobicContact CD2-CB 4.09Å; F1094-W1136 AromaticContact CD2-CD1 3.9Å; F1094-W1136 HydrophobicContact CD2-CG 4.03Å; F1094-W1136 HydrophobicContact CE2-CB 4.4Å; F1094-W1136 VanDerWaalsContact CE2-O 3.28Å; F1094-W1136 WeakPolarHBondContact CE2-O 3.29Å; R1097-W1136 HydrophobicContact CG-CE3 4.22Å; M1101-W1136 HydrophobicContact CG-CE3 4.47Å; M1101-W1136 HydrophobicContact SD-CE3 4.06Å; M1101-W1136 HydrophobicContact SD-CZ3 4.36Å; M1132-W1136 HydrophobicContact CE-CD2 4.38Å; M1132-W1136 HydrophobicContact CE-CE3 4.27Å; M1132-W1136 HydrophobicContact CE-CH2 3.44Å; M1132-W1136 VanDerWaalsContact CE-CH2 3.44Å; M1132-W1136 HydrophobicContact CE-CZ2 3.55Å; M1132-W1136 HydrophobicContact CE-CZ3 3.83Å; M1132-W1136 HydrophobicContact CG-CD2 4.46Å; M1132-W1136 HydrophobicContact CG-CZ2 4.28Å; M1132-W1136 PolarHBondContact O-N 2.93Å; M1132-W1136 HydrophobicContact SD-CH2 4.23Å; M1132-W1136 HydrophobicContact SD-CZ2 3.72Å; V1133-W1136 PolarHBondContact O-N 3.34Å; M1134-W1136 VanDerWaalsContact C-N 3.32Å; M1134-W1136 PolarHBondContact O-N 3.39Å; W1136-A1139 PolarHBondContact O-N 2.73Å; W1136-R1140 WeakPolarHBondContact O-CB 3.5Å; W1136-R1140 PolarHBondContact O-N 3.16Å
1137E70.2Confident66.2Low8 Ų856.6 Ų56.64%0.03729%0.294CS..Hα-helixtrans-68.7-38.9175.5-149.562-158.600113.1R1097 V1133 M1134 K1135 A1139 R1140 R1141 F1219R1097-E1137 IonicContact CZ-OE2 3.37Å; R1097-E1137 IonicContact NE-OE2 3.56Å; R1097-E1137 PolarHBondContact NE-OE2 3.01Å; R1097-E1137 VanDerWaalsContact NH2-CD 3.25Å; R1097-E1137 IonicContact NH2-OE1 2.78Å; R1097-E1137 PolarHBondContact NH2-OE1 3.24Å; R1097-E1137 VanDerWaalsContact NH2-OE1 3.11Å; R1097-E1137 IonicContact NH2-OE2 2.77Å; R1097-E1137 PolarHBondContact NH2-OE2 3.34Å; V1133-E1137 PolarHBondContact O-N 3.32Å; M1134-E1137 PolarHBondContact O-N 3.08Å; M1134-E1137 VanDerWaalsContact O-N 3.08Å; K1135-E1137 VanDerWaalsContact C-N 3.31Å; E1137-A1139 VanDerWaalsContact C-N 3.33Å; E1137-A1139 PolarHBondContact O-N 2.68Å; E1137-R1140 WeakPolarHBondContact O-CB 3.34Å; E1137-R1140 PolarHBondContact O-N 3.2Å; E1137-R1140 VanDerWaalsContact OE1-CD 3.22Å; E1137-R1140 WeakPolarHBondContact OE1-CD 3.15Å; E1137-R1140 IonicContact OE1-CZ 3.21Å; E1137-R1140 IonicContact OE1-NE 2.75Å; E1137-R1140 IonicContact OE1-NH1 2.62Å; E1137-R1140 PolarHBondContact OE1-NH1 2.94Å; E1137-R1141 WeakPolarHBondContact O-CG 3.36Å; E1137-R1141 PolarHBondContact O-N 3.02Å; E1137-F1219 HydrophobicContact CB-CZ 4.1Å; E1137-F1219 HydrophobicContact CG-CE1 4.03Å; E1137-F1219 HydrophobicContact CG-CZ 3.73Å
1138I69.4Low64Low59 Ų5964.5 Ų64.530%0.30334%0.336SS..Hα-helixtrans-59.9-46.4172.7-62.7168.7000109.9M1134 K1135 R1140 R1141 K1142 F1218M1134-I1138 WeakPolarHBondContact O-CG1 3.45Å; M1134-I1138 PolarHBondContact O-N 3.14Å; K1135-I1138 PolarHBondContact O-N 2.89Å; I1138-R1140 VanDerWaalsContact C-N 3.35Å; I1138-R1141 PolarHBondContact O-N 2.87Å; I1138-K1142 HydrophobicContact CG2-CD 4.08Å; I1138-K1142 HydrophobicContact CG2-CG 4.32Å; I1138-K1142 WeakPolarHBondContact O-CB 3.37Å; I1138-K1142 WeakPolarHBondContact O-CG 3.21Å; I1138-K1142 PolarHBondContact O-N 3.22Å; I1138-F1218 HydrophobicContact CD1-CE1 3.62Å; I1138-F1218 HydrophobicContact CD1-CZ 3.82Å; I1138-F1218 HydrophobicContact CG1-CD1 4.37Å; I1138-F1218 HydrophobicContact CG1-CE1 3.34Å; I1138-F1218 HydrophobicContact CG1-CZ 3.9Å
1139A65.6Low62Low35 Ų3564 Ų6429%0.28935%0.35SS..Hα-helixtrans-63.1-40.7178.700000111.6F1094 K1135 W1136 E1137 K1142 L1143F1094-A1139 HydrophobicContact CD2-CB 4.26Å; F1094-A1139 HydrophobicContact CE2-CB 3.81Å; F1094-A1139 HydrophobicContact CZ-CB 4.08Å; K1135-A1139 WeakPolarHBondContact O-CB 3.46Å; K1135-A1139 PolarHBondContact O-N 3.12Å; W1136-A1139 PolarHBondContact O-N 2.73Å; E1137-A1139 VanDerWaalsContact C-N 3.33Å; E1137-A1139 PolarHBondContact O-N 2.68Å; A1139-K1142 PolarHBondContact O-N 2.76Å; A1139-L1143 WeakPolarHBondContact O-CB 3.45Å; A1139-L1143 PolarHBondContact O-N 3Å
1140R67.2Low59.9Low32 Ų3270.8 Ų70.812%0.12139%0.391CS..Hα-helixtrans-59.7-47.8173-174-154.4-178.8176.1-5.5111.4F1094 R1097 W1136 E1137 I1138 L1143 L1144 D1158F1094-R1140 HydrophobicContact CE2-CB 4.37Å; F1094-R1140 HydrophobicContact CZ-CB 4.31Å; R1097-R1140 VanDerWaalsContact NH2-NH1 3.14Å; W1136-R1140 WeakPolarHBondContact O-CB 3.5Å; W1136-R1140 PolarHBondContact O-N 3.16Å; E1137-R1140 WeakPolarHBondContact O-CB 3.34Å; E1137-R1140 PolarHBondContact O-N 3.2Å; E1137-R1140 VanDerWaalsContact OE1-CD 3.22Å; E1137-R1140 WeakPolarHBondContact OE1-CD 3.15Å; E1137-R1140 IonicContact OE1-CZ 3.21Å; E1137-R1140 IonicContact OE1-NE 2.75Å; E1137-R1140 IonicContact OE1-NH1 2.62Å; E1137-R1140 PolarHBondContact OE1-NH1 2.94Å; I1138-R1140 VanDerWaalsContact C-N 3.35Å; R1140-L1143 PolarHBondContact O-N 3.29Å; R1140-L1144 HydrophobicContact CG-CD1 3.95Å; R1140-L1144 WeakPolarHBondContact O-CD1 3.29Å; R1140-L1144 WeakPolarHBondContact O-CG 3.37Å; R1140-L1144 PolarHBondContact O-N 3.05Å; R1140-D1158 IonicContact NH2-OD1 2.74Å
1141R61.4Low57.7Low99 Ų9975 Ų7537%0.37443%0.426SS..Hα-helixtrans-65.4-40.9179-72.8-175.9-177.3-159.4-5.8112.5E1137 I1138 L1143 L1144 S1145 E1217 F1218E1137-R1141 WeakPolarHBondContact O-CG 3.36Å; E1137-R1141 PolarHBondContact O-N 3.02Å; I1138-R1141 PolarHBondContact O-N 2.87Å; R1141-L1143 VanDerWaalsContact C-N 3.34Å; R1141-L1144 WeakPolarHBondContact O-CB 3.47Å; R1141-L1144 PolarHBondContact O-N 3.36Å; R1141-S1145 PolarHBondContact O-N 3.26Å; R1141-E1217 PolarHBondContact NH1-O 3.12Å; R1141-F1218 VanDerWaalsContact CZ-O 3.29Å; R1141-F1218 PolarHBondContact NH1-O 3.27Å; R1141-F1218 PolarHBondContact NH2-O 2.68Å
1142K57.8Low55.7Low138 Ų13880.2 Ų80.260%0.646%0.46SS*.Hα-helixtrans-64.3-36.4173.7-75.2-174.9176.8-1720112.6I1138 A1139 S1145 C1146I1138-K1142 HydrophobicContact CG2-CD 4.08Å; I1138-K1142 HydrophobicContact CG2-CG 4.32Å; I1138-K1142 WeakPolarHBondContact O-CB 3.37Å; I1138-K1142 WeakPolarHBondContact O-CG 3.21Å; I1138-K1142 PolarHBondContact O-N 3.22Å; A1139-K1142 PolarHBondContact O-N 2.76Å; K1142-S1145 PolarHBondContact O-N 3.42Å; K1142-S1145 PolarHBondContact O-OG 3.44Å; K1142-S1145 VanDerWaalsContact O-OG 3.05Å; K1142-C1146 PolarHBondContact O-N 3.37Å; K1142-C1146 PolarHBondContact O-SG 2.96Å
1143L56.5Low53.6Low100 Ų10084.9 Ų84.952%0.52449%0.493SS..Hα-helixtrans-69.4-36.6172.7-86.6156.4000112.2F1094 A1139 R1140 R1141F1094-L1143 HydrophobicContact CD1-CD1 4.45Å; F1094-L1143 HydrophobicContact CE1-CD1 3.34Å; F1094-L1143 HydrophobicContact CZ-CD1 3.65Å; A1139-L1143 WeakPolarHBondContact O-CB 3.45Å; A1139-L1143 PolarHBondContact O-N 3Å; R1140-L1143 PolarHBondContact O-N 3.29Å; R1141-L1143 VanDerWaalsContact C-N 3.34Å
1144L54.9Low51.7Low112 Ų11294 Ų9459%0.58653%0.532SS*.Hα-helixtrans-66.5-34173.1-80.3154.2000112.4R1140 R1141R1140-L1144 HydrophobicContact CG-CD1 3.95Å; R1140-L1144 WeakPolarHBondContact O-CD1 3.29Å; R1140-L1144 WeakPolarHBondContact O-CG 3.37Å; R1140-L1144 PolarHBondContact O-N 3.05Å; R1141-L1144 WeakPolarHBondContact O-CB 3.47Å; R1141-L1144 PolarHBondContact O-N 3.36Å
1145S50.9Low49.9Very low88 Ų88102.3 Ų102.362%0.61557%0.571SS**Hα-helixtrans-82-12.4179.8740000114.8R1141 K1142R1141-S1145 PolarHBondContact O-N 3.26Å; K1142-S1145 PolarHBondContact O-N 3.42Å; K1142-S1145 PolarHBondContact O-OG 3.44Å; K1142-S1145 VanDerWaalsContact O-OG 3.05Å
1146C48.9Very low48.4Very low98 Ų98100.8 Ų100.866%0.66257%0.569SS**THydrogen-bonded Turntrans-94.6-6.5-179.5-68.60000113.6K1142K1142-C1146 PolarHBondContact O-N 3.37Å; K1142-C1146 PolarHBondContact O-SG 2.96Å
1147N41.5Very low47Very low136 Ų136111.6 Ų111.673%0.72761%0.609SS**  trans-112.274.6-179.2-84.1-1.3000111.7
1148D29.2Very low46.1Very low170 Ų170117.4 Ų117.491%0.90964%0.641SS**  trans-93.392.7155.6-83.5-27.4000108.4
1149G31.2Very low45.5Very low61 Ų61116.8 Ų116.863%0.62964%0.636SS**SBendtrans156.489.6174.800000116.1
1150T30.5Very low45.3Very low144 Ų144119.8 Ų119.888%0.88365%0.647SS**  trans68.6111.2155.760.10000121.5
1151A28.5Very low45Very low90 Ų90123 Ų12374%0.74466%0.662SS**  trans64.395.4140.700000121.9
1152T33.6Very low45.1Very low147 Ų147125.7 Ų125.790%0.90268%0.679SS**  172.6120.5104.234.30000111.1
1153S33.5Very low45.6Very low105 Ų105121.6 Ų121.673%0.73466%0.662SS**  trans-78.5136.2174.952.20000112.2
1154K34Very low46.2Very low200 Ų200117.3 Ų117.387%0.8764%0.639SS**  169.51.6127.8-92.4173.3179.9-178.70119.8
1155E36Very low46.9Very low180 Ų180114.1 Ų114.184%0.84162%0.623SS**  trans-129.241.5-171-66.9-166.8161.100118.6
1156L39.4Very low47.9Very low109 Ų109112.3 Ų112.357%0.57161%0.61SS**  trans-125.984.6169.1-84.6148.6000110.3N1098N1098-L1156 WeakPolarHBondContact ND2-CD2 3.44Å
1157R46.7Very low49.1Very low232 Ų232108 Ų10888%0.87558%0.581SS**PPolyproline II helixtrans-60140172.1-72.1-174.3-176.7-176.41.6110.4
1158D51.4Low50.5Low131 Ų131101.8 Ų101.870%0.70155%0.548SS*.PPolyproline II helixtrans-65.4152172.8-73.6-36.6000111.7R1140 D1160R1140-D1158 IonicContact NH2-OD1 2.74Å; D1158-D1160 PolarHBondContact O-N 3.33Å
1159F57.7Low52.6Low45 Ų4599.1 Ų99.120%0.19753%0.525CS..PPolyproline II helixtrans-71.2124.8178.4-171.4-106.2000109.3M1101 V1105 K1161 H1163 L1164M1101-F1159 HydrophobicContact CB-CD2 4.19Å; M1101-F1159 HydrophobicContact CB-CE2 3.78Å; M1101-F1159 HydrophobicContact CE-CD2 3.61Å; M1101-F1159 HydrophobicContact CE-CE1 4.27Å; M1101-F1159 HydrophobicContact CE-CE2 3.2Å; M1101-F1159 HydrophobicContact CE-CG 4.36Å; M1101-F1159 HydrophobicContact CE-CZ 3.57Å; V1105-F1159 HydrophobicContact CB-CZ 4.24Å; V1105-F1159 HydrophobicContact CG1-CZ 4.4Å; V1105-F1159 HydrophobicContact CG2-CE2 4.45Å; V1105-F1159 HydrophobicContact CG2-CZ 3.72Å; F1159-K1161 PolarHBondContact O-N 3.24Å; F1159-H1163 HydrophobicContact CE1-CB 4.17Å; F1159-H1163 HydrophobicContact CZ-CB 3.94Å; F1159-L1164 HydrophobicContact CD1-CB 4.01Å; F1159-L1164 HydrophobicContact CD1-CD1 3.58Å; F1159-L1164 HydrophobicContact CD1-CG 4.42Å; F1159-L1164 HydrophobicContact CE1-CB 3.82Å; F1159-L1164 HydrophobicContact CE1-CD1 3.65Å; F1159-L1164 HydrophobicContact CE1-CG 4.34Å
1160D60.2Low54.6Low99 Ų9996.2 Ų96.253%0.52950%0.496SS..PPolyproline II helixtrans-56.3123.7-175-77.2-31.8000111.9D1158 E1162 H1163D1158-D1160 PolarHBondContact O-N 3.33Å; D1160-E1162 PolarHBondContact O-N 3.44Å; D1160-E1162 VanDerWaalsContact O-N 3.12Å; D1160-H1163 WeakPolarHBondContact CB-ND1 3.46Å; D1160-H1163 PolarHBondContact O-N 3.08Å; D1160-H1163 IonicContact OD2-ND1 3.92Å
1161K61.4Low56.6Low99 Ų9989.4 Ų89.443%0.4345%0.454SS..Hα-helixtrans-53.5-34.6-176-144.7-178.3-172-169.60112.8F1159 N1165 T1222 D1224F1159-K1161 PolarHBondContact O-N 3.24Å; K1161-N1165 PolarHBondContact O-N 3.02Å; K1161-N1165 VanDerWaalsContact O-N 3.1Å; K1161-N1165 PolarHBondContact O-ND2 3.08Å; K1161-T1222 WeakPolarHBondContact CE-O 3.42Å; K1161-T1222 WeakPolarHBondContact CG-O 3.04Å; K1161-D1224 WeakPolarHBondContact CE-OD2 3.34Å; K1161-D1224 VanDerWaalsContact NZ-CG 3.3Å; K1161-D1224 IonicContact NZ-OD1 3.52Å; K1161-D1224 PolarHBondContact NZ-OD1 3.08Å; K1161-D1224 IonicContact NZ-OD2 3.78Å; K1161-D1224 PolarHBondContact NZ-OD2 3.35Å
1162E64.2Low58.7Low155 Ų15585.4 Ų85.472%0.72442%0.42SS*.Hα-helixtrans-66.3-42.6-178-64.9-175.5166.600113.4D1160 N1165 S1166D1160-E1162 PolarHBondContact O-N 3.44Å; D1160-E1162 VanDerWaalsContact O-N 3.12Å; E1162-N1165 PolarHBondContact O-N 3.05Å; E1162-S1166 PolarHBondContact O-N 2.9Å
1163H67.5Low60.6Low53 Ų5380.8 Ų80.825%0.24539%0.388CS..Hα-helixtrans-69.5-37.2-179.4-64.5103.4000111.6V1105 F1159 D1160 S1166 L1167V1105-H1163 HydrophobicContact CG1-CB 4.01Å; V1105-H1163 WeakPolarHBondContact CG1-O 3.11Å; F1159-H1163 HydrophobicContact CE1-CB 4.17Å; F1159-H1163 HydrophobicContact CZ-CB 3.94Å; D1160-H1163 WeakPolarHBondContact CB-ND1 3.46Å; D1160-H1163 PolarHBondContact O-N 3.08Å; D1160-H1163 IonicContact OD2-ND1 3.92Å; H1163-S1166 PolarHBondContact O-N 3.49Å; H1163-L1167 PolarHBondContact O-N 2.96Å; H1163-L1167 VanDerWaalsContact O-N 3.14Å
1164L68.5Low62.5Low10 Ų1076.3 Ų76.35%0.05236%0.355CS..Hα-helixtrans-66.2-41.7175.8-158.4103.8000111.3F1159 L1167 V1168 F1219 V1223F1159-L1164 HydrophobicContact CD1-CB 4.01Å; F1159-L1164 HydrophobicContact CD1-CD1 3.58Å; F1159-L1164 HydrophobicContact CD1-CG 4.42Å; F1159-L1164 HydrophobicContact CE1-CB 3.82Å; F1159-L1164 HydrophobicContact CE1-CD1 3.65Å; F1159-L1164 HydrophobicContact CE1-CG 4.34Å; L1164-L1167 PolarHBondContact O-N 2.86Å; L1164-V1168 WeakPolarHBondContact O-CG2 3.34Å; L1164-V1168 PolarHBondContact O-N 2.85Å; L1164-F1219 HydrophobicContact CD1-CD1 3.6Å; L1164-F1219 HydrophobicContact CD1-CD2 4.12Å; L1164-F1219 HydrophobicContact CD1-CE1 3.62Å; L1164-F1219 HydrophobicContact CD1-CE2 4.14Å; L1164-F1219 HydrophobicContact CD1-CG 3.86Å; L1164-F1219 HydrophobicContact CD1-CZ 3.89Å; L1164-F1219 HydrophobicContact CD2-CB 3.75Å; L1164-F1219 HydrophobicContact CD2-CD1 3.97Å; L1164-F1219 HydrophobicContact CD2-CG 3.91Å; L1164-F1219 HydrophobicContact CG-CD1 4.47Å; L1164-F1219 HydrophobicContact CG-CG 4.49Å; L1164-V1223 HydrophobicContact CD2-CB 4.36Å; L1164-V1223 HydrophobicContact CD2-CG2 3.26Å; L1164-V1223 HydrophobicContact CG-CG2 4.5Å
1165N70Confident64.4Low45 Ų4567.3 Ų67.324%0.24132%0.316CS..Hα-helixtrans-61.6-43.3175.6-72.1-14.5000112K1161 E1162 L1167 V1168 Y1169 D1224K1161-N1165 PolarHBondContact O-N 3.02Å; K1161-N1165 VanDerWaalsContact O-N 3.1Å; K1161-N1165 PolarHBondContact O-ND2 3.08Å; E1162-N1165 PolarHBondContact O-N 3.05Å; N1165-L1167 PolarHBondContact O-N 3.45Å; N1165-V1168 PolarHBondContact O-N 3.4Å; N1165-Y1169 WeakPolarHBondContact O-CB 3.37Å; N1165-Y1169 PolarHBondContact O-N 2.69Å; N1165-D1224 PolarHBondContact OD1-N 2.72Å
1166S72.7Confident66Low50 Ų5058.9 Ų58.935%0.3528%0.277SS..Hα-helixtrans-61.7-42.2177-177.90000112.7E1162 H1163 Y1169 A1170E1162-S1166 PolarHBondContact O-N 2.9Å; H1163-S1166 PolarHBondContact O-N 3.49Å; S1166-Y1169 PolarHBondContact O-N 3.39Å; S1166-A1170 WeakPolarHBondContact O-CB 3.32Å; S1166-A1170 PolarHBondContact O-N 3Å
1167L72.8Confident67.5Low7 Ų757 Ų574%0.03727%0.266CS..Hα-helixtrans-64.7-44.5177.3-169.8102.5000111.8V1105 V1108 V1130 H1163 L1164 N1165 A1170 L1171 M1213V1105-L1167 HydrophobicContact CB-CD1 4.5Å; V1105-L1167 HydrophobicContact CG1-CB 4.03Å; V1105-L1167 HydrophobicContact CG1-CD1 3.93Å; V1105-L1167 HydrophobicContact CG2-CD1 4.42Å; V1108-L1167 HydrophobicContact CB-CD1 4.21Å; V1108-L1167 HydrophobicContact CG1-CD1 3.77Å; V1130-L1167 HydrophobicContact CG1-CD2 4.27Å; V1130-L1167 HydrophobicContact CG2-CD1 4.31Å; H1163-L1167 PolarHBondContact O-N 2.96Å; H1163-L1167 VanDerWaalsContact O-N 3.14Å; L1164-L1167 PolarHBondContact O-N 2.86Å; N1165-L1167 PolarHBondContact O-N 3.45Å; L1167-A1170 PolarHBondContact O-N 3.27Å; L1167-L1171 HydrophobicContact CD2-CD1 4.25Å; L1167-L1171 HydrophobicContact CG-CD1 4.43Å; L1167-L1171 WeakPolarHBondContact O-CG 3.18Å; L1167-L1171 PolarHBondContact O-N 3.14Å; L1167-M1213 HydrophobicContact CD2-CE 3.54Å
1168V72.4Confident68.6Low6 Ų646.6 Ų46.64%0.03623%0.228CC..Hα-helixtrans-64.9-41.3178.2174.80000110.7L1164 N1165 L1171 L1172 M1213 L1214 V1223 L1225L1164-V1168 WeakPolarHBondContact O-CG2 3.34Å; L1164-V1168 PolarHBondContact O-N 2.85Å; N1165-V1168 PolarHBondContact O-N 3.4Å; V1168-L1171 PolarHBondContact O-N 2.97Å; V1168-L1172 HydrophobicContact CG1-CD1 3.95Å; V1168-L1172 HydrophobicContact CG1-CG 4.43Å; V1168-L1172 VanDerWaalsContact O-CG 3.3Å; V1168-L1172 WeakPolarHBondContact O-CG 3.36Å; V1168-L1172 PolarHBondContact O-N 3.06Å; V1168-M1213 HydrophobicContact CG2-CE 4.19Å; V1168-L1214 HydrophobicContact CG1-CD2 4.32Å; V1168-V1223 HydrophobicContact CB-CG1 4.46Å; V1168-V1223 HydrophobicContact CG1-CG1 4.36Å; V1168-V1223 HydrophobicContact CG2-CG1 4.32Å; V1168-V1223 HydrophobicContact CG2-CG2 4.38Å; V1168-L1225 HydrophobicContact CG1-CD2 3.71Å
1169Y73.5Confident69.3Low113 Ų11342.2 Ų42.244%0.44320%0.203SC..Hα-helixtrans-61.3-44.4174.6-174.1-95.4000112.3H1113 N1165 S1166 L1171 L1172 H1173H1113-Y1169 AromaticContact NE2-CD1 3.69Å; H1113-Y1169 AromaticContact NE2-CE1 3.92Å; N1165-Y1169 WeakPolarHBondContact O-CB 3.37Å; N1165-Y1169 PolarHBondContact O-N 2.69Å; S1166-Y1169 PolarHBondContact O-N 3.39Å; Y1169-L1171 VanDerWaalsContact C-N 3.32Å; Y1169-L1171 PolarHBondContact O-N 3.45Å; Y1169-L1172 PolarHBondContact O-N 2.87Å; Y1169-H1173 WeakPolarHBondContact O-CB 3.32Å; Y1169-H1173 PolarHBondContact O-N 2.64Å
1170A71.8Confident69.7Low0 Ų042.8 Ų42.80%021%0.206CC..Hα-helixtrans-59.1-42.5176.500000112.3L1112 H1113 S1166 L1167 Q1174L1112-A1170 HydrophobicContact CB-CB 3.94Å; L1112-A1170 HydrophobicContact CD1-CB 4.35Å; H1113-A1170 VanDerWaalsContact CE1-CA 3.49Å; H1113-A1170 WeakPolarHBondContact CE1-CA 3.49Å; H1113-A1170 WeakPolarHBondContact CE1-CB 3.37Å; H1113-A1170 WeakPolarHBondContact ND1-CB 3.39Å; S1166-A1170 WeakPolarHBondContact O-CB 3.32Å; S1166-A1170 PolarHBondContact O-N 3Å; L1167-A1170 PolarHBondContact O-N 3.27Å; A1170-Q1174 VanDerWaalsContact O-CB 3.32Å; A1170-Q1174 WeakPolarHBondContact O-CB 3.09Å; A1170-Q1174 PolarHBondContact O-N 3.33Å
1171L72.9Confident69.9Low2 Ų243 Ų431%0.0120%0.2CC..Hα-helixtrans-66.5-42.1177.8-72168.4000112L1112 F1127 V1130 L1167 V1168 Y1169 Q1174 W1175 V1209 I1210L1112-L1171 HydrophobicContact CD1-CD2 3.71Å; L1112-L1171 HydrophobicContact CD1-CG 4.06Å; L1112-L1171 HydrophobicContact CD2-CD2 4.38Å; F1127-L1171 HydrophobicContact CD1-CD2 4.02Å; F1127-L1171 HydrophobicContact CE1-CD2 3.62Å; V1130-L1171 HydrophobicContact CG1-CD1 4.44Å; L1167-L1171 HydrophobicContact CD2-CD1 4.25Å; L1167-L1171 HydrophobicContact CG-CD1 4.43Å; L1167-L1171 WeakPolarHBondContact O-CG 3.18Å; L1167-L1171 PolarHBondContact O-N 3.14Å; V1168-L1171 PolarHBondContact O-N 2.97Å; Y1169-L1171 VanDerWaalsContact C-N 3.32Å; Y1169-L1171 PolarHBondContact O-N 3.45Å; L1171-Q1174 PolarHBondContact O-N 3.32Å; L1171-W1175 PolarHBondContact O-N 3.44Å; L1171-V1209 HydrophobicContact CD1-CG1 4.27Å; L1171-I1210 HydrophobicContact CB-CD1 4.44Å; L1171-I1210 HydrophobicContact CB-CG1 4.17Å
1172L72.9Confident70Confident5 Ų539.8 Ų39.83%0.02619%0.187CC..Hα-helixtrans-65.1-46177.8-71.5168.4000111.8V1168 Y1169 Q1174 W1175 T1176 I1210 L1225 L1255 V1259V1168-L1172 HydrophobicContact CG1-CD1 3.95Å; V1168-L1172 HydrophobicContact CG1-CG 4.43Å; V1168-L1172 VanDerWaalsContact O-CG 3.3Å; V1168-L1172 WeakPolarHBondContact O-CG 3.36Å; V1168-L1172 PolarHBondContact O-N 3.06Å; Y1169-L1172 PolarHBondContact O-N 2.87Å; L1172-Q1174 PolarHBondContact O-N 2.99Å; L1172-W1175 PolarHBondContact O-N 3.13Å; L1172-T1176 PolarHBondContact O-N 3.21Å; L1172-T1176 PolarHBondContact O-OG1 3.31Å; L1172-I1210 HydrophobicContact CD2-CD1 4.44Å; L1172-L1225 HydrophobicContact CD1-CD2 3.87Å; L1172-L1255 HydrophobicContact CD2-CD1 4Å; L1172-V1259 HydrophobicContact CD2-CG2 3.86Å
1173H74.2Confident69.9Low51 Ų5134.8 Ų34.824%0.23616%0.163CC..Hα-helixtrans-64.4-38.4177.1-176.7-84.9000112.2Y1169 W1175 T1176 M1177Y1169-H1173 WeakPolarHBondContact O-CB 3.32Å; Y1169-H1173 PolarHBondContact O-N 2.64Å; H1173-W1175 VanDerWaalsContact C-N 3.33Å; H1173-W1175 PolarHBondContact O-N 2.96Å; H1173-T1176 PolarHBondContact O-N 3.09Å; H1173-T1176 PolarHBondContact O-OG1 3.4Å; H1173-M1177 PolarHBondContact O-N 2.79Å; H1173-M1177 VanDerWaalsContact O-N 3.13Å
1174Q72.5Confident69.5Low10 Ų1036.9 Ų36.95%0.04718%0.18CC..Hα-helixtrans-68.8-34.4177-168.671.6-37.300112.1L1112 K1123 A1170 L1171 L1172 M1177 L1178L1112-Q1174 VanDerWaalsContact O-CD 3.3Å; L1112-Q1174 PolarHBondContact O-NE2 3.32Å; L1112-Q1174 PolarHBondContact O-OE1 2.96Å; K1123-Q1174 VanDerWaalsContact CE-NE2 3.32Å; K1123-Q1174 VanDerWaalsContact NZ-NE2 3.17Å; A1170-Q1174 VanDerWaalsContact O-CB 3.32Å; A1170-Q1174 WeakPolarHBondContact O-CB 3.09Å; A1170-Q1174 PolarHBondContact O-N 3.33Å; L1171-Q1174 PolarHBondContact O-N 3.32Å; L1172-Q1174 PolarHBondContact O-N 2.99Å; Q1174-M1177 PolarHBondContact O-N 3.5Å; Q1174-L1178 HydrophobicContact CG-CD1 4.29Å; Q1174-L1178 WeakPolarHBondContact O-CB 3.37Å; Q1174-L1178 VanDerWaalsContact O-CG 3.27Å; Q1174-L1178 WeakPolarHBondContact O-CG 3.45Å; Q1174-L1178 PolarHBondContact O-N 2.82Å
1175W73.3Confident68.8Low11 Ų1139.1 Ų39.14%0.04219%0.191CC..Hα-helixtrans-64.3-44.2176-173.190.2000111.8L1171 L1172 H1173 L1178 Q1179 T1207 I1210 L1255 I1258L1171-W1175 PolarHBondContact O-N 3.44Å; L1172-W1175 PolarHBondContact O-N 3.13Å; H1173-W1175 VanDerWaalsContact C-N 3.33Å; H1173-W1175 PolarHBondContact O-N 2.96Å; W1175-L1178 PolarHBondContact O-N 3.32Å; W1175-Q1179 HydrophobicContact CD2-CG 3.98Å; W1175-Q1179 HydrophobicContact CE3-CG 4.03Å; W1175-Q1179 HydrophobicContact CH2-CG 3.86Å; W1175-Q1179 HydrophobicContact CZ2-CG 3.74Å; W1175-Q1179 HydrophobicContact CZ3-CG 3.98Å; W1175-Q1179 WeakPolarHBondContact O-CG 3.41Å; W1175-Q1179 PolarHBondContact O-N 3.42Å; W1175-T1207 PolarHBondContact NE1-OG1 3.23Å; W1175-I1210 HydrophobicContact CB-CD1 4.19Å; W1175-I1210 HydrophobicContact CG-CD1 4.46Å; W1175-L1255 HydrophobicContact CD2-CD1 3.91Å; W1175-L1255 HydrophobicContact CE3-CB 4.19Å; W1175-L1255 HydrophobicContact CE3-CD1 3.22Å; W1175-L1255 HydrophobicContact CE3-CG 4.29Å; W1175-L1255 HydrophobicContact CH2-CB 4.41Å; W1175-L1255 HydrophobicContact CZ3-CB 3.65Å; W1175-L1255 HydrophobicContact CZ3-CD1 3.6Å; W1175-L1255 HydrophobicContact CZ3-CG 4.24Å; W1175-I1258 HydrophobicContact CH2-CD1 3.67Å; W1175-I1258 HydrophobicContact CZ2-CD1 3.27Å
1176T70.1Confident68.2Low3 Ų341 Ų412%0.01821%0.208CC..Hα-helixtrans-65.3-40.2177.651.20000112.1L1172 H1173 Q1179 Q1180 W1230 L1255L1172-T1176 PolarHBondContact O-N 3.21Å; L1172-T1176 PolarHBondContact O-OG1 3.31Å; H1173-T1176 PolarHBondContact O-N 3.09Å; H1173-T1176 PolarHBondContact O-OG1 3.4Å; T1176-Q1179 PolarHBondContact O-N 3.01Å; T1176-Q1180 WeakPolarHBondContact O-CB 3.49Å; T1176-Q1180 VanDerWaalsContact O-CG 3.28Å; T1176-Q1180 WeakPolarHBondContact O-CG 3.26Å; T1176-Q1180 PolarHBondContact O-N 3.04Å; T1176-W1230 HydrophobicContact CG2-CH2 3.74Å; T1176-W1230 HydrophobicContact CG2-CZ2 4.43Å; T1176-L1255 HydrophobicContact CG2-CD1 4.14Å; T1176-L1255 HydrophobicContact CG2-CD2 3.98Å; T1176-L1255 HydrophobicContact CG2-CG 4.45Å
1177M70.2Confident67.3Low70 Ų7045.1 Ų45.135%0.34522%0.219SC..Hα-helixtrans-61.3-42.5173.5-82.4-73.1-163.200113.3H1173 Q1174 R1181H1173-M1177 PolarHBondContact O-N 2.79Å; H1173-M1177 VanDerWaalsContact O-N 3.13Å; Q1174-M1177 PolarHBondContact O-N 3.5Å; M1177-R1181 WeakPolarHBondContact O-CB 3.48Å; M1177-R1181 PolarHBondContact O-N 3.07Å; M1177-R1181 VanDerWaalsContact O-N 3.08Å
1178L69.7Low66Low14 Ų1447.6 Ų47.67%0.07324%0.241CC..Hα-helixtrans-64.2-42.8177.3-75.3169.3000111.6Q1174 W1175 M1182 L1199 L1202Q1174-L1178 HydrophobicContact CG-CD1 4.29Å; Q1174-L1178 WeakPolarHBondContact O-CB 3.37Å; Q1174-L1178 VanDerWaalsContact O-CG 3.27Å; Q1174-L1178 WeakPolarHBondContact O-CG 3.45Å; Q1174-L1178 PolarHBondContact O-N 2.82Å; W1175-L1178 PolarHBondContact O-N 3.32Å; L1178-M1182 WeakPolarHBondContact O-CB 3.41Å; L1178-M1182 PolarHBondContact O-N 2.84Å; L1178-L1199 HydrophobicContact CD2-CD2 3.71Å; L1178-L1202 HydrophobicContact CD1-CB 4.45Å
1179Q67.2Low64.4Low38 Ų3853.7 Ų53.718%0.17828%0.284CS..Hα-helixtrans-69.2-43.3179.1-72.9-64.4-1800112.6W1175 T1176 R1181 M1182 Q1183W1175-Q1179 HydrophobicContact CD2-CG 3.98Å; W1175-Q1179 HydrophobicContact CE3-CG 4.03Å; W1175-Q1179 HydrophobicContact CH2-CG 3.86Å; W1175-Q1179 HydrophobicContact CZ2-CG 3.74Å; W1175-Q1179 HydrophobicContact CZ3-CG 3.98Å; W1175-Q1179 WeakPolarHBondContact O-CG 3.41Å; W1175-Q1179 PolarHBondContact O-N 3.42Å; T1176-Q1179 PolarHBondContact O-N 3.01Å; Q1179-R1181 PolarHBondContact O-N 2.97Å; Q1179-M1182 PolarHBondContact O-N 3.47Å; Q1179-Q1183 WeakPolarHBondContact O-CG 3.5Å; Q1179-Q1183 PolarHBondContact O-N 3.02Å
1180Q66.2Low62.9Low57 Ų5752.2 Ų52.227%0.26630%0.303SS..Hα-helixtrans-60.1-44.4175.4-74.3174.5-2.800111.5T1176 Q1183 V1184T1176-Q1180 WeakPolarHBondContact O-CB 3.49Å; T1176-Q1180 VanDerWaalsContact O-CG 3.28Å; T1176-Q1180 WeakPolarHBondContact O-CG 3.26Å; T1176-Q1180 PolarHBondContact O-N 3.04Å; Q1180-Q1183 PolarHBondContact O-N 3.43Å; Q1180-V1184 VanDerWaalsContact O-CG2 3.27Å; Q1180-V1184 WeakPolarHBondContact O-CG2 3.28Å; Q1180-V1184 PolarHBondContact O-N 3.25Å
1181R63.4Low61.6Low105 Ų10554.9 Ų54.940%0.39632%0.322SS..Hα-helixtrans-70-36177.8-79.1-172.9172.3171.41113.6A1115 L1117 M1177 Q1179 Q1183 V1184 L1185A1115-R1181 PolarHBondContact O-NH1 3.24Å; A1115-R1181 VanDerWaalsContact O-NH1 3.16Å; L1117-R1181 VanDerWaalsContact CD1-NH1 3.31Å; M1177-R1181 WeakPolarHBondContact O-CB 3.48Å; M1177-R1181 PolarHBondContact O-N 3.07Å; M1177-R1181 VanDerWaalsContact O-N 3.08Å; Q1179-R1181 PolarHBondContact O-N 2.97Å; R1181-Q1183 VanDerWaalsContact C-N 3.32Å; R1181-Q1183 PolarHBondContact O-N 2.84Å; R1181-V1184 PolarHBondContact O-N 3.47Å; R1181-L1185 WeakPolarHBondContact O-CB 3.42Å; R1181-L1185 WeakPolarHBondContact O-CG 3.49Å; R1181-L1185 PolarHBondContact O-N 2.94Å
1182M63.7Low60.3Low31 Ų3158.8 Ų58.815%0.15335%0.348CS..Hα-helixtrans-58.9-44.4171.8-91.3-177.264.100111.3L1178 Q1179 L1185 S1186 L1199 E1200L1178-M1182 WeakPolarHBondContact O-CB 3.41Å; L1178-M1182 PolarHBondContact O-N 2.84Å; Q1179-M1182 PolarHBondContact O-N 3.47Å; M1182-L1185 PolarHBondContact O-N 3.5Å; M1182-S1186 WeakPolarHBondContact O-CB 3.41Å; M1182-S1186 PolarHBondContact O-N 3.28Å; M1182-L1199 HydrophobicContact CG-CB 3.91Å; M1182-L1199 HydrophobicContact CG-CD1 4.48Å; M1182-L1199 HydrophobicContact SD-CB 4.33Å; M1182-E1200 HydrophobicContact CE-CB 3.97Å; M1182-E1200 HydrophobicContact CE-CG 4.04Å; M1182-E1200 HydrophobicContact SD-CB 4.13Å
1183Q61.8Low59.6Low50 Ų5066.8 Ų66.823%0.23438%0.384CS..Hα-helixtrans-68.9-39.4179.7-70.4-177.82.500112.2Q1179 Q1180 R1181 S1186 K1187Q1179-Q1183 WeakPolarHBondContact O-CG 3.5Å; Q1179-Q1183 PolarHBondContact O-N 3.02Å; Q1180-Q1183 PolarHBondContact O-N 3.43Å; R1181-Q1183 VanDerWaalsContact C-N 3.32Å; R1181-Q1183 PolarHBondContact O-N 2.84Å; Q1183-S1186 PolarHBondContact O-N 2.78Å; Q1183-S1186 PolarHBondContact O-OG 3.14Å; Q1183-K1187 PolarHBondContact O-N 3.49Å
1184V59Low58.8Low97 Ų9767.7 Ų67.759%0.58840%0.396SS*.Hα-helixtrans-64.3-44.1174.3172.50000111.7Q1180 R1181 S1186 K1187Q1180-V1184 VanDerWaalsContact O-CG2 3.27Å; Q1180-V1184 WeakPolarHBondContact O-CG2 3.28Å; Q1180-V1184 PolarHBondContact O-N 3.25Å; R1181-V1184 PolarHBondContact O-N 3.47Å; V1184-S1186 VanDerWaalsContact C-N 3.33Å; V1184-S1186 PolarHBondContact O-N 2.86Å; V1184-K1187 PolarHBondContact O-N 3.35Å
1185L55.1Low58.2Low56 Ų5670.5 Ų70.529%0.29341%0.414SS..Hα-helixtrans-67.8-30.3177.8-75.6164.4000112.7R1181 M1182 K1187 A1188 L1199R1181-L1185 WeakPolarHBondContact O-CB 3.42Å; R1181-L1185 WeakPolarHBondContact O-CG 3.49Å; R1181-L1185 PolarHBondContact O-N 2.94Å; M1182-L1185 PolarHBondContact O-N 3.5Å; L1185-K1187 PolarHBondContact O-N 2.9Å; L1185-A1188 PolarHBondContact O-N 3.19Å; L1185-L1199 HydrophobicContact CD1-CD1 3.7Å
1186S57.1Low57.7Low85 Ų8572 Ų7259%0.59442%0.422SS*.Hα-helixtrans-67.7-20.4175.677.70000114M1182 Q1183 V1184M1182-S1186 WeakPolarHBondContact O-CB 3.41Å; M1182-S1186 PolarHBondContact O-N 3.28Å; Q1183-S1186 PolarHBondContact O-N 2.78Å; Q1183-S1186 PolarHBondContact O-OG 3.14Å; V1184-S1186 VanDerWaalsContact C-N 3.33Å; V1184-S1186 PolarHBondContact O-N 2.86Å
1187K53.2Low57.7Low136 Ų13673.8 Ų73.859%0.59144%0.437SS*.Hα-helixtrans-91.5-13.7177.7-70.9178179.6171.40113.4Q1183 V1184 L1185 D1247Q1183-K1187 PolarHBondContact O-N 3.49Å; V1184-K1187 PolarHBondContact O-N 3.35Å; L1185-K1187 PolarHBondContact O-N 2.9Å; K1187-D1247 IonicContact NZ-OD1 2.65Å; K1187-D1247 PolarHBondContact NZ-OD1 3.14Å; K1187-D1247 IonicContact NZ-OD2 3.93Å; K1187-D1247 PolarHBondContact NZ-OD2 2.98Å
1188A46.3Very low57.3Low60 Ų6073.1 Ų73.150%0.49644%0.435SS..SBendtrans-93.5106.717700000110.8L1185 G1190L1185-A1188 PolarHBondContact O-N 3.19Å; A1188-G1190 PolarHBondContact O-N 3.46Å
1189S37.9Very low57.2Low133 Ų13372.8 Ų72.893%0.9343%0.433SS*.THydrogen-bonded Turntrans-70.797.2179.541.40000111.5
1190G43.2Very low57.3Low83 Ų8376 Ų7686%0.85645%0.448SS*.THydrogen-bonded Turntrans15019.4167.800000119.9A1188A1188-G1190 PolarHBondContact O-N 3.46Å
1191S42.9Very low57.6Low55 Ų5581.3 Ų81.339%0.38547%0.466SS..  trans-113148.917665.90000112.9
1192P47.3Very low57.9Low85 Ų8576.7 Ų76.755%0.55245%0.449SS*.  trans-71.4136.5-16728-33.9000112.3S1194 V1195P1192-S1194 PolarHBondContact O-N 3.28Å; P1192-V1195 HydrophobicContact CG-CG2 4.45Å; P1192-V1195 PolarHBondContact O-N 3.49Å; P1192-V1195 VanDerWaalsContact O-N 3.16Å
1193H56.4Low58.2Low173 Ų17375.4 Ų75.480%0.80144%0.443SS*.Hα-helixtrans-47-20179.7-86.6-59.2000115.7A1197H1193-A1197 WeakPolarHBondContact O-CB 3.34Å; H1193-A1197 PolarHBondContact O-N 2.96Å
1194S58.8Low58.9Low69 Ų6979.1 Ų79.148%0.48346%0.462SS..Hα-helixtrans-66.1-40.1178.6580000113.7P1192 A1197 D1198P1192-S1194 PolarHBondContact O-N 3.28Å; S1194-A1197 PolarHBondContact O-N 2.93Å; S1194-D1198 PolarHBondContact O-N 3.44Å
1195V59.2Low59.5Low70 Ų7078.3 Ų78.342%0.42445%0.452SS..Hα-helixtrans-72.1-37.1-175.3-178.20000111.5P1192 D1198 L1199P1192-V1195 HydrophobicContact CG-CG2 4.45Å; P1192-V1195 PolarHBondContact O-N 3.49Å; P1192-V1195 VanDerWaalsContact O-N 3.16Å; V1195-D1198 PolarHBondContact O-N 2.94Å; V1195-L1199 HydrophobicContact CG1-CD1 4.23Å; V1195-L1199 WeakPolarHBondContact O-CB 3Å; V1195-L1199 VanDerWaalsContact O-CG 3.31Å; V1195-L1199 WeakPolarHBondContact O-CG 3.39Å; V1195-L1199 PolarHBondContact O-N 3.29Å
1196I63.8Low60.4Low42 Ų4275.7 Ų75.722%0.21544%0.438CS..Hα-helixtrans-66.6-42.5175.2-62.5173.7000110.2D1198 L1199 E1200I1196-D1198 VanDerWaalsContact C-N 3.35Å; I1196-D1198 PolarHBondContact O-N 2.99Å; I1196-L1199 PolarHBondContact O-N 3.15Å; I1196-E1200 WeakPolarHBondContact O-CB 3.11Å; I1196-E1200 PolarHBondContact O-N 3.06Å
1197A68.9Low61.2Low40 Ų4073.1 Ų73.133%0.33142%0.419SS..Hα-helixtrans-63.8-37.8177.600000112.7H1193 S1194 E1200 R1201H1193-A1197 WeakPolarHBondContact O-CB 3.34Å; H1193-A1197 PolarHBondContact O-N 2.96Å; S1194-A1197 PolarHBondContact O-N 2.93Å; A1197-E1200 PolarHBondContact O-N 3.27Å; A1197-R1201 WeakPolarHBondContact O-CB 3.38Å; A1197-R1201 WeakPolarHBondContact O-CG 3.45Å; A1197-R1201 PolarHBondContact O-N 3.5Å
1198D63.1Low62.1Low56 Ų5668.7 Ų68.730%0.29941%0.405SS..Hα-helixtrans-71.7-37177.2-72.3-26.4000112.3F1120 S1194 V1195 I1196 L1202F1120-D1198 HydrophobicContact CE2-CB 3.84Å; F1120-D1198 HydrophobicContact CZ-CB 4.33Å; S1194-D1198 PolarHBondContact O-N 3.44Å; V1195-D1198 PolarHBondContact O-N 2.94Å; I1196-D1198 VanDerWaalsContact C-N 3.35Å; I1196-D1198 PolarHBondContact O-N 2.99Å; D1198-L1202 WeakPolarHBondContact O-CG 3.28Å; D1198-L1202 PolarHBondContact O-N 2.95Å
1199L66.7Low63.5Low7 Ų765.8 Ų65.84%0.03738%0.381CS..Hα-helixtrans-66.1-38.9171.5-73169.8000112.3L1117 L1178 M1182 L1185 V1195 I1196 L1202 S1203L1117-L1199 HydrophobicContact CD2-CD2 3.91Å; L1178-L1199 HydrophobicContact CD2-CD2 3.71Å; M1182-L1199 HydrophobicContact CG-CB 3.91Å; M1182-L1199 HydrophobicContact CG-CD1 4.48Å; M1182-L1199 HydrophobicContact SD-CB 4.33Å; L1185-L1199 HydrophobicContact CD1-CD1 3.7Å; V1195-L1199 HydrophobicContact CG1-CD1 4.23Å; V1195-L1199 WeakPolarHBondContact O-CB 3Å; V1195-L1199 VanDerWaalsContact O-CG 3.31Å; V1195-L1199 WeakPolarHBondContact O-CG 3.39Å; V1195-L1199 PolarHBondContact O-N 3.29Å; I1196-L1199 PolarHBondContact O-N 3.15Å; L1199-L1202 PolarHBondContact O-N 3.5Å; L1199-S1203 WeakPolarHBondContact O-CB 3.39Å; L1199-S1203 PolarHBondContact O-N 2.85Å
1200E70.3Confident65.2Low105 Ų10559.9 Ų59.949%0.49134%0.339SS..Hα-helixtrans-68.7-38.9176.9-167.6173.7-163.400111.6M1182 I1196 A1197 S1203 M1204M1182-E1200 HydrophobicContact CE-CB 3.97Å; M1182-E1200 HydrophobicContact CE-CG 4.04Å; M1182-E1200 HydrophobicContact SD-CB 4.13Å; I1196-E1200 WeakPolarHBondContact O-CB 3.11Å; I1196-E1200 PolarHBondContact O-N 3.06Å; A1197-E1200 PolarHBondContact O-N 3.27Å; E1200-S1203 PolarHBondContact O-N 3.36Å; E1200-S1203 PolarHBondContact O-OG 3.39Å; E1200-M1204 WeakPolarHBondContact O-CB 3.37Å; E1200-M1204 VanDerWaalsContact O-CG 3.27Å; E1200-M1204 WeakPolarHBondContact O-CG 3.29Å; E1200-M1204 PolarHBondContact O-N 2.99Å
1201R71.1Confident66.6Low170 Ų17061.2 Ų61.264%0.64232%0.322SS*.Hα-helixtrans-62.3-43.6171.7-79.8176.5175.4168.6-1.4112.2A1197 M1204 Q1205A1197-R1201 WeakPolarHBondContact O-CB 3.38Å; A1197-R1201 WeakPolarHBondContact O-CG 3.45Å; A1197-R1201 PolarHBondContact O-N 3.5Å; R1201-M1204 PolarHBondContact O-N 3.39Å; R1201-Q1205 WeakPolarHBondContact O-CB 3.45Å; R1201-Q1205 WeakPolarHBondContact O-CG 3.36Å; R1201-Q1205 PolarHBondContact O-N 2.97Å
1202L69.8Low68Low8 Ų864.3 Ų64.34%0.04233%0.325CS..Hα-helixtrans-66.1-39.6176.2-77173.4000112F1120 F1127 L1178 D1198 L1199 Q1205 C1206F1120-L1202 HydrophobicContact CD2-CD1 3.62Å; F1120-L1202 HydrophobicContact CD2-CG 4.38Å; F1120-L1202 HydrophobicContact CE2-CD1 3.49Å; F1120-L1202 VanDerWaalsContact CE2-CD1 3.49Å; F1120-L1202 HydrophobicContact CE2-CD2 4.31Å; F1120-L1202 HydrophobicContact CE2-CG 3.78Å; F1127-L1202 HydrophobicContact CD2-CD2 4.06Å; F1127-L1202 HydrophobicContact CE2-CD2 4.04Å; L1178-L1202 HydrophobicContact CD1-CB 4.45Å; D1198-L1202 WeakPolarHBondContact O-CG 3.28Å; D1198-L1202 PolarHBondContact O-N 2.95Å; L1199-L1202 PolarHBondContact O-N 3.5Å; L1202-Q1205 PolarHBondContact O-N 2.86Å; L1202-C1206 VanDerWaalsContact O-CB 3.29Å; L1202-C1206 WeakPolarHBondContact O-CB 3.5Å; L1202-C1206 PolarHBondContact O-N 3.31Å
1203S71.4Confident69.1Low4 Ų460.5 Ų60.53%0.02830%0.299CS..Hα-helixtrans-65.5-42.7177.280.20000111.2L1199 E1200 C1206 T1207L1199-S1203 WeakPolarHBondContact O-CB 3.39Å; L1199-S1203 PolarHBondContact O-N 2.85Å; E1200-S1203 PolarHBondContact O-N 3.36Å; E1200-S1203 PolarHBondContact O-OG 3.39Å; S1203-C1206 PolarHBondContact O-N 3.04Å; S1203-T1207 PolarHBondContact O-N 3.16Å; S1203-T1207 PolarHBondContact O-OG1 3.09Å
1204M74.5Confident69.7Low128 Ų12852.3 Ų52.363%0.63126%0.262SS*.Hα-helixtrans-64.8-40.4174.7-72.6-67.3-77.900112.7E1200 R1201 T1207 S1208E1200-M1204 WeakPolarHBondContact O-CB 3.37Å; E1200-M1204 VanDerWaalsContact O-CG 3.27Å; E1200-M1204 WeakPolarHBondContact O-CG 3.29Å; E1200-M1204 PolarHBondContact O-N 2.99Å; R1201-M1204 PolarHBondContact O-N 3.39Å; M1204-T1207 PolarHBondContact O-N 3.36Å; M1204-S1208 WeakPolarHBondContact O-CB 3.43Å; M1204-S1208 PolarHBondContact O-N 3.4Å
1205Q72.4Confident70.1Confident80 Ų8050.4 Ų50.437%0.37425%0.248SC..Hα-helixtrans-63.6-46173.6-78.2-178-6.800111.3R1201 L1202 T1207 S1208 V1209R1201-Q1205 WeakPolarHBondContact O-CB 3.45Å; R1201-Q1205 WeakPolarHBondContact O-CG 3.36Å; R1201-Q1205 PolarHBondContact O-N 2.97Å; L1202-Q1205 PolarHBondContact O-N 2.86Å; Q1205-T1207 PolarHBondContact O-N 2.88Å; Q1205-S1208 PolarHBondContact O-N 3.24Å; Q1205-S1208 VanDerWaalsContact O-N 3.17Å; Q1205-S1208 PolarHBondContact O-OG 3.39Å; Q1205-V1209 WeakPolarHBondContact O-CG2 3.47Å; Q1205-V1209 PolarHBondContact O-N 2.87Å
1206C74.9Confident70.2Confident0 Ų053.5 Ų53.50%026%0.258CS..Hα-helixtrans-58.6-46.2175.1-170.50000111.1F1127 L1202 S1203 S1208 V1209 I1210F1127-C1206 HydrophobicContact CE1-CB 3.89Å; F1127-C1206 HydrophobicContact CZ-CB 3.97Å; L1202-C1206 VanDerWaalsContact O-CB 3.29Å; L1202-C1206 WeakPolarHBondContact O-CB 3.5Å; L1202-C1206 PolarHBondContact O-N 3.31Å; S1203-C1206 PolarHBondContact O-N 3.04Å; C1206-S1208 VanDerWaalsContact C-N 3.34Å; C1206-S1208 PolarHBondContact O-N 2.82Å; C1206-V1209 PolarHBondContact O-N 3.48Å; C1206-I1210 WeakPolarHBondContact O-CB 3.33Å; C1206-I1210 VanDerWaalsContact O-CG1 3.28Å; C1206-I1210 WeakPolarHBondContact O-CG1 3.33Å; C1206-I1210 PolarHBondContact O-N 3.28Å
1207T72.7Confident70.1Confident31 Ų3158.5 Ų58.519%0.1928%0.281CS..Hα-helixtrans-61.2-39.8174.9-55.50000112.3W1175 S1203 M1204 Q1205 V1209 K1211 I1258W1175-T1207 PolarHBondContact NE1-OG1 3.23Å; S1203-T1207 PolarHBondContact O-N 3.16Å; S1203-T1207 PolarHBondContact O-OG1 3.09Å; M1204-T1207 PolarHBondContact O-N 3.36Å; Q1205-T1207 PolarHBondContact O-N 2.88Å; T1207-V1209 VanDerWaalsContact C-N 3.33Å; T1207-V1209 PolarHBondContact O-N 3.04Å; T1207-K1211 WeakPolarHBondContact O-CB 3.46Å; T1207-K1211 PolarHBondContact O-N 3.47Å; T1207-I1258 HydrophobicContact CG2-CG2 4.22Å
1208S73.7Confident69.7Low43 Ų4357.8 Ų57.830%0.30127%0.27SS..Hα-helixtrans-65.7-35.1176.880.10000112.9M1204 Q1205 C1206 R1212M1204-S1208 WeakPolarHBondContact O-CB 3.43Å; M1204-S1208 PolarHBondContact O-N 3.4Å; Q1205-S1208 PolarHBondContact O-N 3.24Å; Q1205-S1208 VanDerWaalsContact O-N 3.17Å; Q1205-S1208 PolarHBondContact O-OG 3.39Å; C1206-S1208 VanDerWaalsContact C-N 3.34Å; C1206-S1208 PolarHBondContact O-N 2.82Å; S1208-R1212 PolarHBondContact O-N 2.83Å
1209V74Confident69.9Low0 Ų055.6 Ų55.60%026%0.258CS..Hα-helixtrans-73.8-46.4177.21710000110.5V1130 M1134 L1171 Q1205 C1206 T1207 K1211 R1212 M1213V1130-V1209 HydrophobicContact CB-CG1 4.38Å; V1130-V1209 HydrophobicContact CG1-CG1 3.56Å; M1134-V1209 HydrophobicContact CE-CB 4.46Å; M1134-V1209 HydrophobicContact CE-CG1 3.99Å; M1134-V1209 HydrophobicContact CE-CG2 4.38Å; L1171-V1209 HydrophobicContact CD1-CG1 4.27Å; Q1205-V1209 WeakPolarHBondContact O-CG2 3.47Å; Q1205-V1209 PolarHBondContact O-N 2.87Å; C1206-V1209 PolarHBondContact O-N 3.48Å; T1207-V1209 VanDerWaalsContact C-N 3.33Å; T1207-V1209 PolarHBondContact O-N 3.04Å; V1209-K1211 VanDerWaalsContact C-N 3.3Å; V1209-K1211 PolarHBondContact O-N 3.45Å; V1209-R1212 PolarHBondContact O-N 3.43Å; V1209-M1213 HydrophobicContact CG1-CG 4.28Å; V1209-M1213 WeakPolarHBondContact O-CB 3.46Å; V1209-M1213 WeakPolarHBondContact O-CG 3.29Å; V1209-M1213 PolarHBondContact O-N 3.35Å
1210I73.9Confident69.6Low8 Ų855.4 Ų55.44%0.04126%0.257CS..Hα-helixtrans-57-45.5174-69.2167.9000110.2L1171 L1172 W1175 C1206 R1212 M1213 L1214L1171-I1210 HydrophobicContact CB-CD1 4.44Å; L1171-I1210 HydrophobicContact CB-CG1 4.17Å; L1172-I1210 HydrophobicContact CD2-CD1 4.44Å; W1175-I1210 HydrophobicContact CB-CD1 4.19Å; W1175-I1210 HydrophobicContact CG-CD1 4.46Å; C1206-I1210 WeakPolarHBondContact O-CB 3.33Å; C1206-I1210 VanDerWaalsContact O-CG1 3.28Å; C1206-I1210 WeakPolarHBondContact O-CG1 3.33Å; C1206-I1210 PolarHBondContact O-N 3.28Å; I1210-R1212 PolarHBondContact O-N 3.15Å; I1210-M1213 PolarHBondContact O-N 3.39Å; I1210-L1214 HydrophobicContact CG2-CD1 3.61Å; I1210-L1214 HydrophobicContact CG2-CG 4.35Å; I1210-L1214 WeakPolarHBondContact O-CB 3.38Å; I1210-L1214 WeakPolarHBondContact O-CG 3.45Å; I1210-L1214 PolarHBondContact O-N 2.9Å
1211K73.6Confident69.3Low112 Ų11255.3 Ų55.349%0.48726%0.26SS..Hα-helixtrans-56.3-46.7176.5174.4174.8-178.3-178.50112.4T1207 V1209 S1215 F1262T1207-K1211 WeakPolarHBondContact O-CB 3.46Å; T1207-K1211 PolarHBondContact O-N 3.47Å; V1209-K1211 VanDerWaalsContact C-N 3.3Å; V1209-K1211 PolarHBondContact O-N 3.45Å; K1211-S1215 WeakPolarHBondContact O-CB 3.2Å; K1211-S1215 PolarHBondContact O-N 2.87Å; K1211-F1262 HydrophobicContact CB-CD2 4.11Å; K1211-F1262 HydrophobicContact CB-CE1 4.36Å; K1211-F1262 HydrophobicContact CB-CE2 3.88Å; K1211-F1262 HydrophobicContact CB-CG 4.43Å; K1211-F1262 HydrophobicContact CB-CZ 4.03Å; K1211-F1262 HydrophobicContact CD-CD1 4.32Å; K1211-F1262 HydrophobicContact CD-CE1 3.57Å; K1211-F1262 HydrophobicContact CD-CE2 4.28Å; K1211-F1262 HydrophobicContact CD-CZ 3.55Å; K1211-F1262 VanDerWaalsContact CE-CE1 3.5Å; K1211-F1262 HydrophobicContact CG-CD1 3.78Å; K1211-F1262 HydrophobicContact CG-CD2 4.23Å; K1211-F1262 HydrophobicContact CG-CE1 3.54Å; K1211-F1262 HydrophobicContact CG-CE2 3.98Å; K1211-F1262 HydrophobicContact CG-CG 4.15Å; K1211-F1262 HydrophobicContact CG-CZ 3.64Å
1212R71.3Confident68.9Low120 Ų12050.4 Ų50.445%0.45325%0.249SC..Hα-helixtrans-69.8-44178.8-72.7-178.5-164.1147.54.5111.8N1131 M1134 S1208 V1209 I1210 L1214 S1215 F1218N1131-R1212 PolarHBondContact OD1-NH1 3.15Å; M1134-R1212 HydrophobicContact CE-CB 4.06Å; M1134-R1212 HydrophobicContact SD-CB 3.71Å; S1208-R1212 PolarHBondContact O-N 2.83Å; V1209-R1212 PolarHBondContact O-N 3.43Å; I1210-R1212 PolarHBondContact O-N 3.15Å; R1212-L1214 PolarHBondContact O-N 3.04Å; R1212-S1215 PolarHBondContact O-N 2.69Å; R1212-S1215 PolarHBondContact O-OG 3.27Å; R1212-F1218 WeakPolarHBondContact O-CB 3.4Å; R1212-F1218 WeakPolarHBondContact O-CD2 3.22Å; R1212-F1218 WeakPolarHBondContact O-CG 3.29Å
1213M70.9Confident68.6Low4 Ų450.3 Ų50.32%0.0225%0.249CC..Hα-helixtrans-61.3-42.5-179.3-74.3-75.5-7400112.6M1134 L1167 V1168 V1209 I1210 F1219M1134-M1213 HydrophobicContact CE-CG 4.49Å; M1134-M1213 HydrophobicContact CG-CG 4.32Å; M1134-M1213 HydrophobicContact CG-SD 3.54Å; M1134-M1213 VanDerWaalsContact CG-SD 3.54Å; M1134-M1213 HydrophobicContact SD-CG 3.63Å; M1134-M1213 HydrophobicContact SD-SD 3.65Å; M1134-M1213 VanDerWaalsContact SD-SD 3.65Å; L1167-M1213 HydrophobicContact CD2-CE 3.54Å; V1168-M1213 HydrophobicContact CG2-CE 4.19Å; V1209-M1213 HydrophobicContact CG1-CG 4.28Å; V1209-M1213 WeakPolarHBondContact O-CB 3.46Å; V1209-M1213 WeakPolarHBondContact O-CG 3.29Å; V1209-M1213 PolarHBondContact O-N 3.35Å; I1210-M1213 PolarHBondContact O-N 3.39Å; M1213-F1219 HydrophobicContact CE-CD2 3.91Å; M1213-F1219 HydrophobicContact CE-CE2 4.13Å; M1213-F1219 WeakPolarHBondContact O-CB 3.41Å; M1213-F1219 PolarHBondContact O-N 3.36Å; M1213-F1219 HydrophobicContact SD-CD2 3.64Å; M1213-F1219 HydrophobicContact SD-CE2 3.69Å
1214L69.4Low68Low2 Ų252.7 Ų52.71%0.0126%0.262CS..Hα-helixtrans-84.3-14.2-176.5-67.4176.2000114.3V1168 I1210 R1212 G1220 L1225 F1262V1168-L1214 HydrophobicContact CG1-CD2 4.32Å; I1210-L1214 HydrophobicContact CG2-CD1 3.61Å; I1210-L1214 HydrophobicContact CG2-CG 4.35Å; I1210-L1214 WeakPolarHBondContact O-CB 3.38Å; I1210-L1214 WeakPolarHBondContact O-CG 3.45Å; I1210-L1214 PolarHBondContact O-N 2.9Å; R1212-L1214 PolarHBondContact O-N 3.04Å; L1214-G1220 WeakPolarHBondContact O-CA 3.17Å; L1214-L1225 HydrophobicContact CD2-CD1 4.22Å; L1214-F1262 CarbonylContact C-O 3.58Å; L1214-F1262 HydrophobicContact CB-CB 4.25Å
1215S66.8Low67.4Low28 Ų2847.9 Ų47.920%0.19624%0.238CC..SBendtrans-66.7153.2178.165.90000113.4K1211 R1212 E1217 F1218 G1220K1211-S1215 WeakPolarHBondContact O-CB 3.2Å; K1211-S1215 PolarHBondContact O-N 2.87Å; R1212-S1215 PolarHBondContact O-N 2.69Å; R1212-S1215 PolarHBondContact O-OG 3.27Å; S1215-E1217 PolarHBondContact O-N 2.9Å; S1215-E1217 VanDerWaalsContact O-N 3.15Å; S1215-F1218 PolarHBondContact O-N 3.18Å; S1215-F1218 VanDerWaalsContact O-N 3.08Å; S1215-F1218 WeakPolarHBondContact OG-CD2 3.38Å; S1215-G1220 PolarHBondContact O-N 3.26Å
1216E60.9Low66.7Low135 Ų13551 Ų5163%0.63126%0.257SS*.THydrogen-bonded Turntrans-54.4-31.8179.2-80.1-176.7159.800113.3F1218 P1264E1216-F1218 PolarHBondContact O-N 3.09Å; E1216-F1218 VanDerWaalsContact O-N 3.11Å; E1216-P1264 HydrophobicContact CG-CB 4.01Å
1217E61.2Low65.8Low148 Ų14852 Ų5269%0.69226%0.262SS*.THydrogen-bonded Turntrans-66.2-10.7-180-67.7-175175.500114.3R1141 S1215R1141-E1217 PolarHBondContact NH1-O 3.12Å; S1215-E1217 PolarHBondContact O-N 2.9Å; S1215-E1217 VanDerWaalsContact O-N 3.15Å
1218F61.8Low65Low24 Ų2454.5 Ų54.511%0.10527%0.272CS..THydrogen-bonded Turntrans-131.3-103.1-174.1-62.6-94.6000112.2I1138 R1141 R1212 S1215 E1216I1138-F1218 HydrophobicContact CD1-CE1 3.62Å; I1138-F1218 HydrophobicContact CD1-CZ 3.82Å; I1138-F1218 HydrophobicContact CG1-CD1 4.37Å; I1138-F1218 HydrophobicContact CG1-CE1 3.34Å; I1138-F1218 HydrophobicContact CG1-CZ 3.9Å; R1141-F1218 VanDerWaalsContact CZ-O 3.29Å; R1141-F1218 PolarHBondContact NH1-O 3.27Å; R1141-F1218 PolarHBondContact NH2-O 2.68Å; R1212-F1218 WeakPolarHBondContact O-CB 3.4Å; R1212-F1218 WeakPolarHBondContact O-CD2 3.22Å; R1212-F1218 WeakPolarHBondContact O-CG 3.29Å; S1215-F1218 PolarHBondContact O-N 3.18Å; S1215-F1218 VanDerWaalsContact O-N 3.08Å; S1215-F1218 WeakPolarHBondContact OG-CD2 3.38Å; E1216-F1218 PolarHBondContact O-N 3.09Å; E1216-F1218 VanDerWaalsContact O-N 3.11Å
1219F66.2Low64.4Low11 Ų1156 Ų565%0.04829%0.287CS..THydrogen-bonded Turntrans-109.76-170.9-58.4-74.2000114.4E1137 L1164 M1213 N1221 T1222 V1223E1137-F1219 HydrophobicContact CB-CZ 4.1Å; E1137-F1219 HydrophobicContact CG-CE1 4.03Å; E1137-F1219 HydrophobicContact CG-CZ 3.73Å; L1164-F1219 HydrophobicContact CD1-CD1 3.6Å; L1164-F1219 HydrophobicContact CD1-CD2 4.12Å; L1164-F1219 HydrophobicContact CD1-CE1 3.62Å; L1164-F1219 HydrophobicContact CD1-CE2 4.14Å; L1164-F1219 HydrophobicContact CD1-CG 3.86Å; L1164-F1219 HydrophobicContact CD1-CZ 3.89Å; L1164-F1219 HydrophobicContact CD2-CB 3.75Å; L1164-F1219 HydrophobicContact CD2-CD1 3.97Å; L1164-F1219 HydrophobicContact CD2-CG 3.91Å; L1164-F1219 HydrophobicContact CG-CD1 4.47Å; L1164-F1219 HydrophobicContact CG-CG 4.49Å; M1213-F1219 HydrophobicContact CE-CD2 3.91Å; M1213-F1219 HydrophobicContact CE-CE2 4.13Å; M1213-F1219 WeakPolarHBondContact O-CB 3.41Å; M1213-F1219 PolarHBondContact O-N 3.36Å; M1213-F1219 HydrophobicContact SD-CD2 3.64Å; M1213-F1219 HydrophobicContact SD-CE2 3.69Å; F1219-N1221 PolarHBondContact O-N 3.41Å; F1219-T1222 WeakPolarHBondContact CA-OG1 3.4Å; F1219-T1222 PolarHBondContact O-N 2.94Å; F1219-T1222 PolarHBondContact O-OG1 3.15Å; F1219-V1223 HydrophobicContact CB-CG2 3.87Å; F1219-V1223 VanDerWaalsContact O-CG2 3.22Å; F1219-V1223 WeakPolarHBondContact O-CG2 3.05Å; F1219-V1223 PolarHBondContact O-N 2.91Å
1220G61.4Low63.9Low2 Ų259.4 Ų59.42%0.02130%0.3CS..THydrogen-bonded Turntrans-53.4-29.8-175.700000115L1214 S1215L1214-G1220 WeakPolarHBondContact O-CA 3.17Å; S1215-G1220 PolarHBondContact O-N 3.26Å
1221N63.6Low63.2Low103 Ų10359.1 Ų59.155%0.55130%0.298SS*.THydrogen-bonded Turntrans-86.2-23.8179.4-65-9.3000113.5F1219 R1267F1219-N1221 PolarHBondContact O-N 3.41Å; N1221-R1267 PolarHBondContact O-NH2 3.49Å
1222T63.5Low62.6Low67 Ų6756 Ų5641%0.41129%0.287SS..THydrogen-bonded Turntrans-97.7-20.2-170.948.50000114.6K1161 F1219K1161-T1222 WeakPolarHBondContact CE-O 3.42Å; K1161-T1222 WeakPolarHBondContact CG-O 3.04Å; F1219-T1222 WeakPolarHBondContact CA-OG1 3.4Å; F1219-T1222 PolarHBondContact O-N 2.94Å; F1219-T1222 PolarHBondContact O-OG1 3.15Å
1223V62.9Low62.2Low7 Ų756.1 Ų56.14%0.04230%0.297CS..  trans-82.8131.7-178-1750000110.2L1164 V1168 F1219 L1225L1164-V1223 HydrophobicContact CD2-CB 4.36Å; L1164-V1223 HydrophobicContact CD2-CG2 3.26Å; L1164-V1223 HydrophobicContact CG-CG2 4.5Å; V1168-V1223 HydrophobicContact CB-CG1 4.46Å; V1168-V1223 HydrophobicContact CG1-CG1 4.36Å; V1168-V1223 HydrophobicContact CG2-CG1 4.32Å; V1168-V1223 HydrophobicContact CG2-CG2 4.38Å; F1219-V1223 HydrophobicContact CB-CG2 3.87Å; F1219-V1223 VanDerWaalsContact O-CG2 3.22Å; F1219-V1223 WeakPolarHBondContact O-CG2 3.05Å; F1219-V1223 PolarHBondContact O-N 2.91Å; V1223-L1225 HydrophobicContact CG1-CD2 4.1Å; V1223-L1225 HydrophobicContact CG1-CG 4.03Å
1224D59.7Low61.8Low54 Ų5457.7 Ų57.729%0.28931%0.306SS..  trans-104.1104168.7-69.9-20.6000109.1K1161 N1165 N1226 R1267K1161-D1224 WeakPolarHBondContact CE-OD2 3.34Å; K1161-D1224 VanDerWaalsContact NZ-CG 3.3Å; K1161-D1224 IonicContact NZ-OD1 3.52Å; K1161-D1224 PolarHBondContact NZ-OD1 3.08Å; K1161-D1224 IonicContact NZ-OD2 3.78Å; K1161-D1224 PolarHBondContact NZ-OD2 3.35Å; N1165-D1224 PolarHBondContact OD1-N 2.72Å; D1224-N1226 PolarHBondContact O-N 2.89Å; D1224-R1267 IonicContact OD1-CZ 2.87Å; D1224-R1267 VanDerWaalsContact OD1-CZ 3.3Å; D1224-R1267 IonicContact OD1-NH1 3.39Å; D1224-R1267 PolarHBondContact OD1-NH1 2.93Å; D1224-R1267 IonicContact OD1-NH2 3.11Å; D1224-R1267 PolarHBondContact OD1-NH2 3.32Å
1225L60.5Low61.5Low27 Ų2757.6 Ų57.614%0.14131%0.306CS..  trans-83.491.7178.8-71.3169.2000110.7V1168 L1172 L1214 V1223 L1227 V1259 L1263V1168-L1225 HydrophobicContact CG1-CD2 3.71Å; L1172-L1225 HydrophobicContact CD1-CD2 3.87Å; L1214-L1225 HydrophobicContact CD2-CD1 4.22Å; V1223-L1225 HydrophobicContact CG1-CD2 4.1Å; V1223-L1225 HydrophobicContact CG1-CG 4.03Å; L1225-L1227 HydrophobicContact CB-CD1 4.05Å; L1225-L1227 HydrophobicContact CB-CG 4.2Å; L1225-L1227 HydrophobicContact CD1-CD1 4.4Å; L1225-L1227 PolarHBondContact O-N 3.25Å; L1225-V1259 HydrophobicContact CD1-CG1 4.24Å; L1225-L1263 HydrophobicContact CD1-CD1 3.75Å; L1225-L1263 HydrophobicContact CD1-CD2 4.15Å; L1225-L1263 HydrophobicContact CD1-CG 4.41Å
1226N57.8Low61.2Low145 Ų14560.4 Ų60.478%0.77532%0.318SS*.  trans-74.663.3169.9-76.1-13.9000111.5D1224 H1228D1224-N1226 PolarHBondContact O-N 2.89Å; N1226-H1228 PolarHBondContact O-N 3.04Å
1227L57.2Low61.3Low20 Ų2056.3 Ų56.311%0.10530%0.304CS..THydrogen-bonded Turntrans-70.4-8.6177.9-72.3158.3000113.5L1225 A1229 L1231 V1259L1225-L1227 HydrophobicContact CB-CD1 4.05Å; L1225-L1227 HydrophobicContact CB-CG 4.2Å; L1225-L1227 HydrophobicContact CD1-CD1 4.4Å; L1225-L1227 PolarHBondContact O-N 3.25Å; L1227-A1229 PolarHBondContact O-N 3.14Å; L1227-L1231 HydrophobicContact CB-CD1 4.27Å; L1227-L1231 HydrophobicContact CD2-CD1 3.68Å; L1227-L1231 HydrophobicContact CG-CD1 4.46Å; L1227-L1231 WeakPolarHBondContact O-CB 3.29Å; L1227-L1231 PolarHBondContact O-N 3.44Å; L1227-V1259 HydrophobicContact CD1-CG1 4.44Å
1228H56Low60.9Low84 Ų8451 Ų5139%0.38928%0.284SS..Hα-helixtrans-57.5-42.6-168.2-87.5-121.7000116.4N1226 L1232 T1274N1226-H1228 PolarHBondContact O-N 3.04Å; H1228-L1232 WeakPolarHBondContact O-CB 3.35Å; H1228-T1274 PolarHBondContact CD2-OG1 2.74Å; H1228-T1274 WeakPolarHBondContact CE1-CB 3.43Å; H1228-T1274 WeakPolarHBondContact CE1-CG2 3.31Å; H1228-T1274 PolarHBondContact CE1-OG1 2.64Å; H1228-T1274 WeakPolarHBondContact ND1-CB 3.1Å; H1228-T1274 VanDerWaalsContact NE2-CB 3.28Å; H1228-T1274 WeakPolarHBondContact NE2-CB 3.31Å; H1228-T1274 VanDerWaalsContact NE2-CG2 3.28Å; H1228-T1274 WeakPolarHBondContact NE2-CG2 3.33Å; H1228-T1274 PolarHBondContact NE2-OG1 3.46Å
1229A59.7Low60.4Low76 Ų7658.1 Ų58.163%0.62832%0.315SS*.Hα-helixtrans-81.6-36.5-17200000112.3L1227L1227-A1229 PolarHBondContact O-N 3.14Å
1230W63.4Low59.6Low71 Ų7165.3 Ų65.327%0.26935%0.354SS..Hα-helixtrans-85.6-35.3-172.6175.663.7000113.5T1176 V1234 H1252 L1255T1176-W1230 HydrophobicContact CG2-CH2 3.74Å; T1176-W1230 HydrophobicContact CG2-CZ2 4.43Å; W1230-V1234 WeakPolarHBondContact O-CG2 3.46Å; W1230-H1252 AromaticContact CE2-NE2 3.76Å; W1230-H1252 AromaticContact CH2-CD2 3.53Å; W1230-H1252 AromaticContact CH2-NE2 3.51Å; W1230-H1252 AromaticContact CZ2-CD2 3.63Å; W1230-H1252 AromaticContact CZ2-NE2 3.12Å; W1230-H1252 WeakPolarHBondContact CZ2-NE2 3.47Å; W1230-L1255 HydrophobicContact CH2-CD2 4.28Å; W1230-L1255 HydrophobicContact CZ3-CD2 4Å
1231L60.7Low58.8Low1 Ų167.2 Ų67.21%0.00537%0.369CS..Hα-helixtrans-88.2-31.1-175.9-113.8141.8000113.2L1227 L1235 H1252 L1256L1227-L1231 HydrophobicContact CB-CD1 4.27Å; L1227-L1231 HydrophobicContact CD2-CD1 3.68Å; L1227-L1231 HydrophobicContact CG-CD1 4.46Å; L1227-L1231 WeakPolarHBondContact O-CB 3.29Å; L1227-L1231 PolarHBondContact O-N 3.44Å; L1231-L1235 HydrophobicContact CD2-CD1 3.64Å; L1231-L1235 HydrophobicContact CD2-CG 4.19Å; L1231-L1235 WeakPolarHBondContact O-CB 3.28Å; L1231-L1235 WeakPolarHBondContact O-CD1 3.48Å; L1231-L1235 WeakPolarHBondContact O-CG 3.46Å; L1231-L1235 PolarHBondContact O-N 3.47Å; L1231-H1252 HydrophobicContact CD2-CB 4.27Å; L1231-L1256 HydrophobicContact CD2-CD1 3.45Å; L1231-L1256 VanDerWaalsContact CD2-CD1 3.45Å; L1231-L1256 HydrophobicContact CD2-CG 3.89Å
1232L61.1Low58.2Low48 Ų4868.6 Ų68.625%0.25138%0.377SS..Hα-helixtrans-68.9-42.4-179.8-165.171.5000111.8H1228 V1234 L1235 L1236 T1274H1228-L1232 WeakPolarHBondContact O-CB 3.35Å; L1232-V1234 VanDerWaalsContact C-N 3.35Å; L1232-V1234 PolarHBondContact O-N 3.1Å; L1232-L1235 PolarHBondContact O-N 3Å; L1232-L1236 HydrophobicContact CD1-CD1 4.19Å; L1232-L1236 HydrophobicContact CD1-CG 4.49Å; L1232-L1236 HydrophobicContact CD2-CD1 4.28Å; L1232-L1236 HydrophobicContact CG-CD1 3.74Å; L1232-L1236 HydrophobicContact CG-CG 4.38Å; L1232-L1236 WeakPolarHBondContact O-CB 3.26Å; L1232-L1236 WeakPolarHBondContact O-CG 3.39Å; L1232-L1236 PolarHBondContact O-N 2.61Å; L1232-T1274 VanDerWaalsContact CD1-O 3.29Å; L1232-T1274 WeakPolarHBondContact CD1-O 3.41Å
1233D62.1Low57.6Low122 Ų12271.5 Ų71.565%0.65239%0.39SS*.Hα-helixtrans-64.1-37.6177.5-80.9-9.9000112.3
1234V63.1Low57.2Low37 Ų3775.7 Ų75.722%0.22442%0.419CS..Hα-helixtrans-72.9-39.1177.8176.90000111.2W1230 L1232 S1237 I1249W1230-V1234 WeakPolarHBondContact O-CG2 3.46Å; L1232-V1234 VanDerWaalsContact C-N 3.35Å; L1232-V1234 PolarHBondContact O-N 3.1Å; V1234-S1237 PolarHBondContact O-OG 2.9Å; V1234-I1249 HydrophobicContact CG1-CG1 4.3Å
1235L61.7Low57.1Low0 Ų076.8 Ų76.80%043%0.425CS..Hα-helixtrans-77.4-31.3-177.9-70.4170.4000113.9L1231 L1232 S1237 I1249 L1253 L1256 V1275L1231-L1235 HydrophobicContact CD2-CD1 3.64Å; L1231-L1235 HydrophobicContact CD2-CG 4.19Å; L1231-L1235 WeakPolarHBondContact O-CB 3.28Å; L1231-L1235 WeakPolarHBondContact O-CD1 3.48Å; L1231-L1235 WeakPolarHBondContact O-CG 3.46Å; L1231-L1235 PolarHBondContact O-N 3.47Å; L1232-L1235 PolarHBondContact O-N 3Å; L1235-S1237 VanDerWaalsContact C-N 3.33Å; L1235-I1249 HydrophobicContact CD2-CG2 4.48Å; L1235-L1253 HydrophobicContact CD2-CD2 3.71Å; L1235-L1253 HydrophobicContact CD2-CG 3.97Å; L1235-L1256 HydrophobicContact CD1-CD1 4.04Å; L1235-V1275 HydrophobicContact CD1-CG1 3.45Å; L1235-V1275 VanDerWaalsContact CD1-CG1 3.45Å
1236L61.9Low56.9Low87 Ų8779 Ų7946%0.45544%0.435SS..Hα-helixtrans-76.9-17.3177.2-72.3171.1000113.5L1232 S1238L1232-L1236 HydrophobicContact CD1-CD1 4.19Å; L1232-L1236 HydrophobicContact CD1-CG 4.49Å; L1232-L1236 HydrophobicContact CD2-CD1 4.28Å; L1232-L1236 HydrophobicContact CG-CD1 3.74Å; L1232-L1236 HydrophobicContact CG-CG 4.38Å; L1232-L1236 WeakPolarHBondContact O-CB 3.26Å; L1232-L1236 WeakPolarHBondContact O-CG 3.39Å; L1232-L1236 PolarHBondContact O-N 2.61Å; L1236-S1238 PolarHBondContact O-N 3.09Å
1237S61.3Low57.1Low48 Ų4873.4 Ų73.434%0.33641%0.405SS..G310 helixtrans-70.1-4.6176.371.70000114.3V1234 L1235 K1239 N1240V1234-S1237 PolarHBondContact O-OG 2.9Å; L1235-S1237 VanDerWaalsContact C-N 3.33Å; S1237-K1239 PolarHBondContact O-N 3.29Å; S1237-N1240 PolarHBondContact O-N 3.25Å; S1237-N1240 VanDerWaalsContact O-N 3.13Å
1238S53.8Low57.5Low37 Ų3773.4 Ų73.426%0.25941%0.407SS..G310 helixtrans-60.5-16.6-176.280.60000115.2L1236L1236-S1238 PolarHBondContact O-N 3.09Å
1239K51.1Low58Low173 Ų17370.1 Ų70.175%0.75239%0.392SS*.G310 helixtrans-77.9-17.2177.9-72.5-177.2176.9177.50113.7S1237S1237-K1239 PolarHBondContact O-N 3.29Å
1240N49.9Very low58.5Low163 Ų16367.1 Ų67.187%0.87237%0.367SS*.THydrogen-bonded Turntrans-143.713.9-167.7-76.5-23.5000118.1S1237S1237-N1240 PolarHBondContact O-N 3.25Å; S1237-N1240 VanDerWaalsContact O-N 3.13Å
1241A43.7Very low58.7Low41 Ų4163.9 Ų63.934%0.33936%0.355SS..  trans-100.6149.4-167.600000116.8D1245A1241-D1245 HydrophobicContact CB-CB 3.95Å
1242N51.2Low59.3Low133 Ų13364.1 Ų64.171%0.71136%0.356SS*.  trans-85161.6-179.2-78.9-35.3000113.2S1244 D1245N1242-S1244 PolarHBondContact O-N 3.27Å; N1242-D1245 PolarHBondContact O-N 3.38Å
1243N52Low59.7Low128 Ų12861.9 Ų61.968%0.68434%0.344SS*.THydrogen-bonded Turntrans-42.2-23.6-174-73.4-10.5000118.5
1244S53.7Low60.1Low94 Ų9457.9 Ų57.966%0.65732%0.323SS*.THydrogen-bonded Turntrans-82.4-23.3179510000114.1N1242N1242-S1244 PolarHBondContact O-N 3.27Å
1245D56.8Low60.6Low77 Ų7756.3 Ų56.341%0.41231%0.313SS..Hα-helixtrans-84.7-13.8179.7-61.9-30000112A1241 N1242 A1248 I1249A1241-D1245 HydrophobicContact CB-CB 3.95Å; N1242-D1245 PolarHBondContact O-N 3.38Å; D1245-A1248 WeakPolarHBondContact O-CB 3.48Å; D1245-A1248 PolarHBondContact O-N 3.44Å; D1245-I1249 WeakPolarHBondContact O-CG1 3.4Å; D1245-I1249 PolarHBondContact O-N 3.49Å
1246E57.7Low61.1Low75 Ų7556.5 Ų56.535%0.3531%0.314SS..Hα-helixtrans-67.6-42.9-177.4-61.4-173.8169.800113.6A1248 I1249 S1250E1246-A1248 VanDerWaalsContact C-N 3.29Å; E1246-I1249 PolarHBondContact O-N 3.33Å; E1246-S1250 PolarHBondContact O-N 3.04Å; E1246-S1250 VanDerWaalsContact O-N 3.13Å
1247D61.4Low61.6Low27 Ų2753 Ų5314%0.14430%0.298CS..Hα-helixtrans-67.6-36.2177.4-72.9-23.7000109.7K1187 S1250 A1251K1187-D1247 IonicContact NZ-OD1 2.65Å; K1187-D1247 PolarHBondContact NZ-OD1 3.14Å; K1187-D1247 IonicContact NZ-OD2 3.93Å; K1187-D1247 PolarHBondContact NZ-OD2 2.98Å; D1247-S1250 PolarHBondContact O-N 3.31Å; D1247-S1250 PolarHBondContact O-OG 3.35Å; D1247-A1251 WeakPolarHBondContact O-CB 3.44Å; D1247-A1251 PolarHBondContact O-N 2.86Å
1248A64.4Low62.1Low19 Ų1952.7 Ų52.716%0.15729%0.292CS..Hα-helixtrans-63.1-50.2174.400000111.3D1245 E1246 S1250 A1251 H1252D1245-A1248 WeakPolarHBondContact O-CB 3.48Å; D1245-A1248 PolarHBondContact O-N 3.44Å; E1246-A1248 VanDerWaalsContact C-N 3.29Å; A1248-S1250 VanDerWaalsContact C-N 3.28Å; A1248-S1250 PolarHBondContact O-N 3.13Å; A1248-A1251 PolarHBondContact O-N 3.44Å; A1248-A1251 VanDerWaalsContact O-N 3.15Å; A1248-H1252 PolarHBondContact O-N 3.02Å; A1248-H1252 PolarHBondContact O-ND1 3.15Å
1249I67.6Low62.9Low16 Ų1651.1 Ų51.18%0.08228%0.281CS..Hα-helixtrans-57.8-42.1178.2-66.6165.2000111V1234 L1235 D1245 E1246 H1252 L1253V1234-I1249 HydrophobicContact CG1-CG1 4.3Å; L1235-I1249 HydrophobicContact CD2-CG2 4.48Å; D1245-I1249 WeakPolarHBondContact O-CG1 3.4Å; D1245-I1249 PolarHBondContact O-N 3.49Å; E1246-I1249 PolarHBondContact O-N 3.33Å; I1249-H1252 PolarHBondContact O-N 3.05Å; I1249-L1253 HydrophobicContact CG2-CD1 4.06Å; I1249-L1253 WeakPolarHBondContact O-CG 3.44Å; I1249-L1253 PolarHBondContact O-N 2.74Å
1250S69.8Low63.9Low13 Ų1343 Ų439%0.09125%0.245CC..Hα-helixtrans-65.1-40.4176.877.40000113.3E1246 D1247 A1248 L1253 D1254E1246-S1250 PolarHBondContact O-N 3.04Å; E1246-S1250 VanDerWaalsContact O-N 3.13Å; D1247-S1250 PolarHBondContact O-N 3.31Å; D1247-S1250 PolarHBondContact O-OG 3.35Å; A1248-S1250 VanDerWaalsContact C-N 3.28Å; A1248-S1250 PolarHBondContact O-N 3.13Å; S1250-L1253 PolarHBondContact O-N 3.47Å; S1250-D1254 WeakPolarHBondContact O-CB 3.47Å; S1250-D1254 PolarHBondContact O-N 3.34Å
1251A68.1Low64.9Low2 Ų236 Ų362%0.01721%0.212CC..Hα-helixtrans-68.3-35.8177.600000112.5D1247 A1248 L1255D1247-A1251 WeakPolarHBondContact O-CB 3.44Å; D1247-A1251 PolarHBondContact O-N 2.86Å; A1248-A1251 PolarHBondContact O-N 3.44Å; A1248-A1251 VanDerWaalsContact O-N 3.15Å; A1251-L1255 WeakPolarHBondContact O-CB 3.4Å; A1251-L1255 PolarHBondContact O-N 3.15Å
1252H72.3Confident66Low7 Ų736.5 Ų36.53%0.03221%0.206CC..Hα-helixtrans-71.6-36.4174.7-68.990.7000112.1W1230 L1231 A1248 I1249 L1255 L1256W1230-H1252 AromaticContact CE2-NE2 3.76Å; W1230-H1252 AromaticContact CH2-CD2 3.53Å; W1230-H1252 AromaticContact CH2-NE2 3.51Å; W1230-H1252 AromaticContact CZ2-CD2 3.63Å; W1230-H1252 AromaticContact CZ2-NE2 3.12Å; W1230-H1252 WeakPolarHBondContact CZ2-NE2 3.47Å; L1231-H1252 HydrophobicContact CD2-CB 4.27Å; A1248-H1252 PolarHBondContact O-N 3.02Å; A1248-H1252 PolarHBondContact O-ND1 3.15Å; I1249-H1252 PolarHBondContact O-N 3.05Å; H1252-L1255 WeakPolarHBondContact O-CB 3.45Å; H1252-L1255 PolarHBondContact O-N 2.91Å; H1252-L1256 PolarHBondContact O-N 3.1Å
1253L71Confident66.9Low0 Ų031 Ų310%018%0.177CC..Hα-helixtrans-67.6-40172.4-73.4170.8000111.9L1235 I1249 S1250 L1256 A1257 T1294 V1297L1235-L1253 HydrophobicContact CD2-CD2 3.71Å; L1235-L1253 HydrophobicContact CD2-CG 3.97Å; I1249-L1253 HydrophobicContact CG2-CD1 4.06Å; I1249-L1253 WeakPolarHBondContact O-CG 3.44Å; I1249-L1253 PolarHBondContact O-N 2.74Å; S1250-L1253 PolarHBondContact O-N 3.47Å; L1253-L1256 HydrophobicContact CD2-CD1 4.27Å; L1253-L1256 WeakPolarHBondContact O-CB 3.31Å; L1253-L1256 PolarHBondContact O-N 3.46Å; L1253-A1257 PolarHBondContact O-N 2.95Å; L1253-T1294 HydrophobicContact CD1-CG2 3.81Å; L1253-T1294 HydrophobicContact CD2-CG2 4.03Å; L1253-V1297 HydrophobicContact CB-CG2 4.43Å; L1253-V1297 WeakPolarHBondContact O-CG2 3.48Å
1254D70.4Confident67.6Low38 Ų3825.4 Ų25.420%0.20315%0.148CC..Hα-helixtrans-67.3-35173.6-81.7-18.2000111.4S1250 A1257 I1258 K1296S1250-D1254 WeakPolarHBondContact O-CB 3.47Å; S1250-D1254 PolarHBondContact O-N 3.34Å; D1254-A1257 PolarHBondContact O-N 3.09Å; D1254-I1258 WeakPolarHBondContact O-CG1 3.48Å; D1254-I1258 PolarHBondContact O-N 3.22Å; D1254-I1258 VanDerWaalsContact O-N 3.11Å; D1254-K1296 WeakPolarHBondContact OD1-CD 3.31Å; D1254-K1296 IonicContact OD1-NZ 2.72Å; D1254-K1296 PolarHBondContact OD1-NZ 2.95Å; D1254-K1296 IonicContact OD2-NZ 3.63Å; D1254-K1296 PolarHBondContact OD2-NZ 3.27Å; D1254-K1296 VanDerWaalsContact OD2-NZ 3.14Å
1255L72.1Confident68.2Low4 Ų422.5 Ų22.52%0.02113%0.127CC..Hα-helixtrans-58.9-48.4169.9-175.684.7000110.9L1172 W1175 T1176 W1230 A1251 H1252 A1257 I1258 V1259L1172-L1255 HydrophobicContact CD2-CD1 4Å; W1175-L1255 HydrophobicContact CD2-CD1 3.91Å; W1175-L1255 HydrophobicContact CE3-CB 4.19Å; W1175-L1255 HydrophobicContact CE3-CD1 3.22Å; W1175-L1255 HydrophobicContact CE3-CG 4.29Å; W1175-L1255 HydrophobicContact CH2-CB 4.41Å; W1175-L1255 HydrophobicContact CZ3-CB 3.65Å; W1175-L1255 HydrophobicContact CZ3-CD1 3.6Å; W1175-L1255 HydrophobicContact CZ3-CG 4.24Å; T1176-L1255 HydrophobicContact CG2-CD1 4.14Å; T1176-L1255 HydrophobicContact CG2-CD2 3.98Å; T1176-L1255 HydrophobicContact CG2-CG 4.45Å; W1230-L1255 HydrophobicContact CH2-CD2 4.28Å; W1230-L1255 HydrophobicContact CZ3-CD2 4Å; A1251-L1255 WeakPolarHBondContact O-CB 3.4Å; A1251-L1255 PolarHBondContact O-N 3.15Å; H1252-L1255 WeakPolarHBondContact O-CB 3.45Å; H1252-L1255 PolarHBondContact O-N 2.91Å; L1255-A1257 VanDerWaalsContact C-N 3.29Å; L1255-A1257 PolarHBondContact O-N 3.16Å; L1255-I1258 PolarHBondContact O-N 3.13Å; L1255-I1258 VanDerWaalsContact O-N 3.1Å; L1255-V1259 HydrophobicContact CG-CG2 4.21Å; L1255-V1259 VanDerWaalsContact O-CG2 3.32Å; L1255-V1259 WeakPolarHBondContact O-CG2 3.08Å; L1255-V1259 PolarHBondContact O-N 2.97Å
1256L73.2Confident68.5Low4 Ų427.3 Ų27.32%0.02115%0.147CC..Hα-helixtrans-56.6-42.7176.6-92.2162.5000111.8L1231 L1235 H1252 L1253 I1258 V1259 F1260 V1275 V1297L1231-L1256 HydrophobicContact CD2-CD1 3.45Å; L1231-L1256 VanDerWaalsContact CD2-CD1 3.45Å; L1231-L1256 HydrophobicContact CD2-CG 3.89Å; L1235-L1256 HydrophobicContact CD1-CD1 4.04Å; H1252-L1256 PolarHBondContact O-N 3.1Å; L1253-L1256 HydrophobicContact CD2-CD1 4.27Å; L1253-L1256 WeakPolarHBondContact O-CB 3.31Å; L1253-L1256 PolarHBondContact O-N 3.46Å; L1256-I1258 VanDerWaalsContact C-N 3.32Å; L1256-I1258 PolarHBondContact O-N 2.84Å; L1256-V1259 PolarHBondContact O-N 3.36Å; L1256-F1260 HydrophobicContact CB-CD2 4.48Å; L1256-F1260 HydrophobicContact CB-CE2 4.34Å; L1256-F1260 HydrophobicContact CD2-CD2 4.21Å; L1256-F1260 HydrophobicContact CD2-CE1 4.21Å; L1256-F1260 HydrophobicContact CD2-CE2 3.45Å; L1256-F1260 VanDerWaalsContact CD2-CE2 3.45Å; L1256-F1260 HydrophobicContact CD2-CZ 3.44Å; L1256-F1260 VanDerWaalsContact CD2-CZ 3.44Å; L1256-F1260 HydrophobicContact CG-CE2 4.46Å; L1256-F1260 WeakPolarHBondContact O-CB 3.25Å; L1256-F1260 VanDerWaalsContact O-CD2 3.29Å; L1256-F1260 WeakPolarHBondContact O-CD2 3.43Å; L1256-F1260 WeakPolarHBondContact O-CG 3.38Å; L1256-F1260 PolarHBondContact O-N 3.25Å; L1256-V1275 HydrophobicContact CD1-CG1 4.24Å; L1256-V1297 HydrophobicContact CB-CG2 4.3Å
1257A72.2Confident68.9Low13 Ų1327.7 Ų27.711%0.10715%0.145CC..Hα-helixtrans-62-39.4176.500000112.2L1253 D1254 L1255 G1261 V1297 K1300L1253-A1257 PolarHBondContact O-N 2.95Å; D1254-A1257 PolarHBondContact O-N 3.09Å; L1255-A1257 VanDerWaalsContact C-N 3.29Å; L1255-A1257 PolarHBondContact O-N 3.16Å; A1257-G1261 PolarHBondContact O-N 3.08Å; A1257-V1297 HydrophobicContact CB-CG2 3.91Å; A1257-K1300 WeakPolarHBondContact O-CG 3.21Å
1258I71.1Confident69.2Low43 Ų4326.4 Ų26.422%0.22114%0.138CC..Hα-helixtrans-69.6-46.2177.7-67.5168.7000110.7W1175 T1207 D1254 L1255 L1256 G1261 F1262W1175-I1258 HydrophobicContact CH2-CD1 3.67Å; W1175-I1258 HydrophobicContact CZ2-CD1 3.27Å; T1207-I1258 HydrophobicContact CG2-CG2 4.22Å; D1254-I1258 WeakPolarHBondContact O-CG1 3.48Å; D1254-I1258 PolarHBondContact O-N 3.22Å; D1254-I1258 VanDerWaalsContact O-N 3.11Å; L1255-I1258 PolarHBondContact O-N 3.13Å; L1255-I1258 VanDerWaalsContact O-N 3.1Å; L1256-I1258 VanDerWaalsContact C-N 3.32Å; L1256-I1258 PolarHBondContact O-N 2.84Å; I1258-G1261 PolarHBondContact O-N 3.09Å; I1258-F1262 HydrophobicContact CG2-CD2 4.3Å; I1258-F1262 HydrophobicContact CG2-CE2 3.92Å; I1258-F1262 WeakPolarHBondContact O-CD2 3.43Å; I1258-F1262 WeakPolarHBondContact O-CE2 3.26Å
1259V71.2Confident69.4Low3 Ų327.1 Ų27.12%0.01814%0.141CC..Hα-helixtrans-62.8-52.6-179.1171.30000110.6L1172 L1225 L1227 L1255 L1256 G1261 F1262 L1263L1172-V1259 HydrophobicContact CD2-CG2 3.86Å; L1225-V1259 HydrophobicContact CD1-CG1 4.24Å; L1227-V1259 HydrophobicContact CD1-CG1 4.44Å; L1255-V1259 HydrophobicContact CG-CG2 4.21Å; L1255-V1259 VanDerWaalsContact O-CG2 3.32Å; L1255-V1259 WeakPolarHBondContact O-CG2 3.08Å; L1255-V1259 PolarHBondContact O-N 2.97Å; L1256-V1259 PolarHBondContact O-N 3.36Å; V1259-G1261 PolarHBondContact O-N 3.15Å; V1259-G1261 VanDerWaalsContact O-N 3.13Å; V1259-F1262 PolarHBondContact O-N 3.4Å; V1259-F1262 VanDerWaalsContact O-N 3.1Å; V1259-L1263 HydrophobicContact CG1-CD1 3.31Å; V1259-L1263 WeakPolarHBondContact O-CD1 3.44Å; V1259-L1263 PolarHBondContact O-N 3.24Å
1260F73Confident69.3Low2 Ų230 Ų301%0.00916%0.16CC..Hα-helixtrans-60.4-26177.8-69.8-34.8000113.3L1256 F1262 V1268 L1272 V1297 L1301 V1304L1256-F1260 HydrophobicContact CB-CD2 4.48Å; L1256-F1260 HydrophobicContact CB-CE2 4.34Å; L1256-F1260 HydrophobicContact CD2-CD2 4.21Å; L1256-F1260 HydrophobicContact CD2-CE1 4.21Å; L1256-F1260 HydrophobicContact CD2-CE2 3.45Å; L1256-F1260 VanDerWaalsContact CD2-CE2 3.45Å; L1256-F1260 HydrophobicContact CD2-CZ 3.44Å; L1256-F1260 VanDerWaalsContact CD2-CZ 3.44Å; L1256-F1260 HydrophobicContact CG-CE2 4.46Å; L1256-F1260 WeakPolarHBondContact O-CB 3.25Å; L1256-F1260 VanDerWaalsContact O-CD2 3.29Å; L1256-F1260 WeakPolarHBondContact O-CD2 3.43Å; L1256-F1260 WeakPolarHBondContact O-CG 3.38Å; L1256-F1260 PolarHBondContact O-N 3.25Å; F1260-F1262 PolarHBondContact O-N 2.95Å; F1260-V1268 HydrophobicContact CD1-CG1 4.03Å; F1260-V1268 HydrophobicContact CE1-CG1 4.43Å; F1260-L1272 HydrophobicContact CE2-CG 4.34Å; F1260-L1272 HydrophobicContact CZ-CG 4Å; F1260-V1297 HydrophobicContact CD2-CG1 4.11Å; F1260-V1297 HydrophobicContact CE2-CG1 4.19Å; F1260-L1301 HydrophobicContact CB-CD2 3.9Å; F1260-L1301 HydrophobicContact CD1-CD2 4.41Å; F1260-L1301 HydrophobicContact CD2-CD1 4.34Å; F1260-L1301 HydrophobicContact CD2-CD2 3.62Å; F1260-L1301 HydrophobicContact CD2-CG 4.04Å; F1260-L1301 HydrophobicContact CE2-CD1 4.4Å; F1260-L1301 HydrophobicContact CE2-CD2 4.18Å; F1260-L1301 HydrophobicContact CG-CD2 3.75Å; F1260-V1304 VanDerWaalsContact O-CG2 3.24Å; F1260-V1304 WeakPolarHBondContact O-CG2 3.34Å
1261G69.7Low69.1Low16 Ų1630.3 Ų30.317%0.16516%0.161CC..THydrogen-bonded Turntrans-69.5-12.2177.600000116.1A1257 I1258 V1259A1257-G1261 PolarHBondContact O-N 3.08Å; I1258-G1261 PolarHBondContact O-N 3.09Å; V1259-G1261 PolarHBondContact O-N 3.15Å; V1259-G1261 VanDerWaalsContact O-N 3.13Å
1262F68Low69.1Low52 Ų5230.6 Ų30.623%0.22816%0.163CC..THydrogen-bonded Turntrans-128.1-9.1-174.3-57.5-54.8000114.8K1211 L1214 I1258 V1259 F1260K1211-F1262 HydrophobicContact CB-CD2 4.11Å; K1211-F1262 HydrophobicContact CB-CE1 4.36Å; K1211-F1262 HydrophobicContact CB-CE2 3.88Å; K1211-F1262 HydrophobicContact CB-CG 4.43Å; K1211-F1262 HydrophobicContact CB-CZ 4.03Å; K1211-F1262 HydrophobicContact CD-CD1 4.32Å; K1211-F1262 HydrophobicContact CD-CE1 3.57Å; K1211-F1262 HydrophobicContact CD-CE2 4.28Å; K1211-F1262 HydrophobicContact CD-CZ 3.55Å; K1211-F1262 VanDerWaalsContact CE-CE1 3.5Å; K1211-F1262 HydrophobicContact CG-CD1 3.78Å; K1211-F1262 HydrophobicContact CG-CD2 4.23Å; K1211-F1262 HydrophobicContact CG-CE1 3.54Å; K1211-F1262 HydrophobicContact CG-CE2 3.98Å; K1211-F1262 HydrophobicContact CG-CG 4.15Å; K1211-F1262 HydrophobicContact CG-CZ 3.64Å; L1214-F1262 CarbonylContact C-O 3.58Å; L1214-F1262 HydrophobicContact CB-CB 4.25Å; I1258-F1262 HydrophobicContact CG2-CD2 4.3Å; I1258-F1262 HydrophobicContact CG2-CE2 3.92Å; I1258-F1262 WeakPolarHBondContact O-CD2 3.43Å; I1258-F1262 WeakPolarHBondContact O-CE2 3.26Å; V1259-F1262 PolarHBondContact O-N 3.4Å; V1259-F1262 VanDerWaalsContact O-N 3.1Å; F1260-F1262 PolarHBondContact O-N 2.95Å
1263L68.7Low69Low19 Ų1937.7 Ų37.710%0.09919%0.189CC..SBendtrans-78.8143.7174-91.5126.7000111.9L1225 V1259 R1267 V1268L1225-L1263 HydrophobicContact CD1-CD1 3.75Å; L1225-L1263 HydrophobicContact CD1-CD2 4.15Å; L1225-L1263 HydrophobicContact CD1-CG 4.41Å; V1259-L1263 HydrophobicContact CG1-CD1 3.31Å; V1259-L1263 WeakPolarHBondContact O-CD1 3.44Å; V1259-L1263 PolarHBondContact O-N 3.24Å; L1263-R1267 HydrophobicContact CD2-CB 3.87Å; L1263-V1268 HydrophobicContact CB-CG2 3.64Å
1264P67.2Low68.8Low10 Ų1039.6 Ų39.67%0.06520%0.201CC..  trans-61.6141.5171.321.9-29.5000111.3E1216 E1266 R1267 V1268E1216-P1264 HydrophobicContact CG-CB 4.01Å; P1264-E1266 PolarHBondContact O-N 3.23Å; P1264-E1266 VanDerWaalsContact O-N 3.09Å; P1264-R1267 HydrophobicContact CG-CB 4.43Å; P1264-R1267 HydrophobicContact CG-CG 4.24Å; P1264-R1267 PolarHBondContact O-N 3.17Å; P1264-V1268 PolarHBondContact O-N 2.89Å
1265C65.9Low68.8Low32 Ų3238 Ų3822%0.21619%0.193CC..Hα-helixtrans-55-33.8-171.4-67.30000113.8R1267 V1268 V1304 A1308C1265-R1267 PolarHBondContact O-N 3.18Å; C1265-V1268 PolarHBondContact O-N 3.33Å; C1265-V1304 PolarHBondContact SG-O 3.21Å; C1265-A1308 HydrophobicContact CB-CB 4.09Å; C1265-A1308 WeakPolarHBondContact SG-CB 3.49Å
1266E64.3Low68.7Low179 Ų17938 Ų3884%0.83619%0.193SC*.Hα-helixtrans-62.8-28178.2-60.9-174.5170.800113.5P1264 P1270P1264-E1266 PolarHBondContact O-N 3.23Å; P1264-E1266 VanDerWaalsContact O-N 3.09Å; E1266-P1270 WeakPolarHBondContact O-CD 3.42Å
1267R65.2Low68.5Low83 Ų8343.1 Ų43.131%0.31322%0.22SC..Hα-helixtrans-95.4-20.9179.7-68.2-71.8-152.7145.111.8113.3N1221 D1224 L1263 P1264 C1265 P1270 T1271N1221-R1267 PolarHBondContact O-NH2 3.49Å; D1224-R1267 IonicContact OD1-CZ 2.87Å; D1224-R1267 VanDerWaalsContact OD1-CZ 3.3Å; D1224-R1267 IonicContact OD1-NH1 3.39Å; D1224-R1267 PolarHBondContact OD1-NH1 2.93Å; D1224-R1267 IonicContact OD1-NH2 3.11Å; D1224-R1267 PolarHBondContact OD1-NH2 3.32Å; L1263-R1267 HydrophobicContact CD2-CB 3.87Å; P1264-R1267 HydrophobicContact CG-CB 4.43Å; P1264-R1267 HydrophobicContact CG-CG 4.24Å; P1264-R1267 PolarHBondContact O-N 3.17Å; C1265-R1267 PolarHBondContact O-N 3.18Å; R1267-P1270 WeakPolarHBondContact O-CD 3.46Å; R1267-T1271 PolarHBondContact O-OG1 3.31Å
1268V68.6Low68.4Low0 Ų042.5 Ų42.50%022%0.215CC..Hα-helixtrans-66.4-42.2178.51720000111.1F1260 L1263 P1264 C1265 T1271 L1272 L1301 V1304 F1305F1260-V1268 HydrophobicContact CD1-CG1 4.03Å; F1260-V1268 HydrophobicContact CE1-CG1 4.43Å; L1263-V1268 HydrophobicContact CB-CG2 3.64Å; P1264-V1268 PolarHBondContact O-N 2.89Å; C1265-V1268 PolarHBondContact O-N 3.33Å; V1268-T1271 PolarHBondContact O-N 3.39Å; V1268-T1271 PolarHBondContact O-OG1 2.77Å; V1268-L1272 HydrophobicContact CG1-CD1 3.76Å; V1268-L1272 WeakPolarHBondContact O-CB 3.31Å; V1268-L1272 PolarHBondContact O-N 3.44Å; V1268-L1301 HydrophobicContact CG1-CD2 3.91Å; V1268-V1304 HydrophobicContact CG2-CG1 4.46Å; V1268-F1305 HydrophobicContact CG1-CZ 4.18Å
1269V67.5Low68.3Low34 Ų3440.5 Ų40.521%0.20621%0.205CC..Hα-helixtrans-60.1-47.8-176.7177.50000113.2T1271 L1272 R1273 F1305 F1320V1269-T1271 PolarHBondContact O-N 3.47Å; V1269-L1272 PolarHBondContact O-N 2.59Å; V1269-R1273 PolarHBondContact O-N 3Å; V1269-R1273 VanDerWaalsContact O-N 3.11Å; V1269-F1305 HydrophobicContact CG2-CE1 3.82Å; V1269-F1305 HydrophobicContact CG2-CZ 4.03Å; V1269-F1320 HydrophobicContact CG1-CE2 4.4Å; V1269-F1320 HydrophobicContact CG1-CZ 4.16Å
1270P65.8Low68.3Low75 Ų7540.9 Ų40.949%0.48721%0.208SC..Hα-helixtrans-60.2-42.9174.7-23.931.2000114.4E1266 R1267 R1273E1266-P1270 WeakPolarHBondContact O-CD 3.42Å; R1267-P1270 WeakPolarHBondContact O-CD 3.46Å; P1270-R1273 PolarHBondContact O-N 2.91Å
1271T66.4Low68Low20 Ų2041.9 Ų41.912%0.12322%0.217CC..Hα-helixtrans-70.3-29.4178.236.70000113.4R1267 V1268 V1269 T1274 V1275R1267-T1271 PolarHBondContact O-OG1 3.31Å; V1268-T1271 PolarHBondContact O-N 3.39Å; V1268-T1271 PolarHBondContact O-OG1 2.77Å; V1269-T1271 PolarHBondContact O-N 3.47Å; T1271-T1274 PolarHBondContact O-OG1 3.48Å; T1271-T1274 VanDerWaalsContact O-OG1 3.13Å; T1271-V1275 WeakPolarHBondContact O-CG2 3.36Å
1272L67.6Low68Low9 Ų941.2 Ų41.25%0.04721%0.21CC..Hα-helixtrans-70.2-43.9175.1-121151.3000110.6F1260 V1268 V1269 T1274 V1275 V1276 L1301 F1305 F1320F1260-L1272 HydrophobicContact CE2-CG 4.34Å; F1260-L1272 HydrophobicContact CZ-CG 4Å; V1268-L1272 HydrophobicContact CG1-CD1 3.76Å; V1268-L1272 WeakPolarHBondContact O-CB 3.31Å; V1268-L1272 PolarHBondContact O-N 3.44Å; V1269-L1272 PolarHBondContact O-N 2.59Å; L1272-T1274 PolarHBondContact O-N 3.23Å; L1272-V1275 PolarHBondContact O-N 3.2Å; L1272-V1276 HydrophobicContact CD2-CG2 3.84Å; L1272-V1276 WeakPolarHBondContact O-CG2 3.3Å; L1272-V1276 PolarHBondContact O-N 2.91Å; L1272-L1301 HydrophobicContact CD1-CD1 3.77Å; L1272-L1301 HydrophobicContact CD1-CD2 3.34Å; L1272-L1301 HydrophobicContact CD1-CG 4.15Å; L1272-L1301 HydrophobicContact CD2-CD1 4Å; L1272-L1301 HydrophobicContact CG-CD1 4.25Å; L1272-L1301 HydrophobicContact CG-CD2 4.39Å; L1272-F1305 HydrophobicContact CD1-CE2 4.3Å; L1272-F1305 HydrophobicContact CD1-CZ 4.35Å; L1272-F1320 HydrophobicContact CB-CE2 4.11Å; L1272-F1320 HydrophobicContact CB-CZ 3.87Å
1273R69Low68Low155 Ų15539.2 Ų39.259%0.58520%0.201SC*.Hα-helixtrans-52.3-23.8-178.3-175.4170.7-91.9179.5-5.9114.2V1269 P1270 F1320V1269-R1273 PolarHBondContact O-N 3Å; V1269-R1273 VanDerWaalsContact O-N 3.11Å; P1270-R1273 PolarHBondContact O-N 2.91Å; R1273-F1320 HydrophobicContact CB-CE1 3.56Å; R1273-F1320 HydrophobicContact CB-CZ 4.01Å; R1273-F1320 HydrophobicContact CG-CE1 4.05Å
1274T68Low67.7Low41 Ų4143.2 Ų43.225%0.25222%0.219SC..THydrogen-bonded Turntrans-108-7.6-169.159.90000112.6H1228 L1232 T1271 L1272H1228-T1274 PolarHBondContact CD2-OG1 2.74Å; H1228-T1274 WeakPolarHBondContact CE1-CB 3.43Å; H1228-T1274 WeakPolarHBondContact CE1-CG2 3.31Å; H1228-T1274 PolarHBondContact CE1-OG1 2.64Å; H1228-T1274 WeakPolarHBondContact ND1-CB 3.1Å; H1228-T1274 VanDerWaalsContact NE2-CB 3.28Å; H1228-T1274 WeakPolarHBondContact NE2-CB 3.31Å; H1228-T1274 VanDerWaalsContact NE2-CG2 3.28Å; H1228-T1274 WeakPolarHBondContact NE2-CG2 3.33Å; H1228-T1274 PolarHBondContact NE2-OG1 3.46Å; L1232-T1274 VanDerWaalsContact CD1-O 3.29Å; L1232-T1274 WeakPolarHBondContact CD1-O 3.41Å; T1271-T1274 PolarHBondContact O-OG1 3.48Å; T1271-T1274 VanDerWaalsContact O-OG1 3.13Å; L1272-T1274 PolarHBondContact O-N 3.23Å
1275V69.5Low67.7Low4 Ų444 Ų442%0.02423%0.225CC..THydrogen-bonded Turntrans-113.5-11.2175.2-173.90000111.6L1235 L1256 T1271 L1272 D1277 G1278 I1279L1235-V1275 HydrophobicContact CD1-CG1 3.45Å; L1235-V1275 VanDerWaalsContact CD1-CG1 3.45Å; L1256-V1275 HydrophobicContact CD1-CG1 4.24Å; T1271-V1275 WeakPolarHBondContact O-CG2 3.36Å; L1272-V1275 PolarHBondContact O-N 3.2Å; V1275-D1277 VanDerWaalsContact C-N 3.31Å; V1275-D1277 PolarHBondContact O-N 3.49Å; V1275-G1278 PolarHBondContact O-N 2.98Å; V1275-I1279 HydrophobicContact CG1-CD1 4.11Å; V1275-I1279 HydrophobicContact CG1-CG1 4.13Å; V1275-I1279 PolarHBondContact O-N 3.31Å; V1275-I1279 VanDerWaalsContact O-N 3.09Å
1276V70.2Confident67.4Low5 Ų548.4 Ų48.43%0.0325%0.251CS..Hα-helixtrans-49.8-43.3-177.6157.10000113.5L1272 G1278 I1279 A1280 F1320 L1323L1272-V1276 HydrophobicContact CD2-CG2 3.84Å; L1272-V1276 WeakPolarHBondContact O-CG2 3.3Å; L1272-V1276 PolarHBondContact O-N 2.91Å; V1276-G1278 VanDerWaalsContact C-N 3.34Å; V1276-G1278 PolarHBondContact O-N 3.05Å; V1276-I1279 PolarHBondContact O-N 2.72Å; V1276-A1280 WeakPolarHBondContact O-CB 3.4Å; V1276-A1280 PolarHBondContact O-N 3.47Å; V1276-F1320 HydrophobicContact CG2-CD1 3.57Å; V1276-F1320 HydrophobicContact CG2-CE1 3.9Å; V1276-F1320 HydrophobicContact CG2-CG 4.09Å; V1276-L1323 HydrophobicContact CB-CD1 4.44Å; V1276-L1323 HydrophobicContact CG1-CB 4.23Å; V1276-L1323 HydrophobicContact CG1-CD1 3.93Å; V1276-L1323 HydrophobicContact CG2-CD1 4.32Å
1277D70.3Confident67.3Low110 Ų11044.7 Ų44.759%0.58823%0.234SC*.Hα-helixtrans-67.1-34.1-179.5-65.8-27.2000112.5V1275 A1281V1275-D1277 VanDerWaalsContact C-N 3.31Å; V1275-D1277 PolarHBondContact O-N 3.49Å; D1277-A1281 WeakPolarHBondContact O-CB 3.41Å; D1277-A1281 PolarHBondContact O-N 2.87Å
1278G68.5Low67.3Low0 Ų043.4 Ų43.40%024%0.236CC..Hα-helixtrans-71.3-34.8173.900000112.9V1275 V1276 C1282V1275-G1278 PolarHBondContact O-N 2.98Å; V1276-G1278 VanDerWaalsContact C-N 3.34Å; V1276-G1278 PolarHBondContact O-N 3.05Å; G1278-C1282 PolarHBondContact O-N 3.46Å; G1278-C1282 PolarHBondContact O-SG 3.06Å
1279I70.7Confident67Low2 Ų250.1 Ų50.11%0.0127%0.265CS..Hα-helixtrans-70.5-39.8174.6-64169.4000110.7V1275 V1276 C1282 L1283 L1323V1275-I1279 HydrophobicContact CG1-CD1 4.11Å; V1275-I1279 HydrophobicContact CG1-CG1 4.13Å; V1275-I1279 PolarHBondContact O-N 3.31Å; V1275-I1279 VanDerWaalsContact O-N 3.09Å; V1276-I1279 PolarHBondContact O-N 2.72Å; I1279-C1282 PolarHBondContact O-N 2.67Å; I1279-L1283 PolarHBondContact O-N 2.86Å; I1279-L1323 HydrophobicContact CB-CD1 4.37Å; I1279-L1323 HydrophobicContact CG2-CD1 4.13Å
1280A69.3Low66.9Low10 Ų1049.4 Ų49.48%0.08326%0.263CS..Hα-helixtrans-62.9-44.8175.300000112V1276 C1282 L1283V1276-A1280 WeakPolarHBondContact O-CB 3.4Å; V1276-A1280 PolarHBondContact O-N 3.47Å; A1280-C1282 VanDerWaalsContact C-N 3.26Å; A1280-C1282 PolarHBondContact O-N 3.41Å; A1280-L1283 WeakPolarHBondContact O-CB 2.92Å; A1280-L1283 PolarHBondContact O-N 3.07Å; A1280-L1283 VanDerWaalsContact O-N 3.09Å
1281A68.4Low67Low24 Ų2446.1 Ų46.120%0.19824%0.242CC..Hα-helixtrans-60.4-33.8174.500000113.2D1277D1277-A1281 WeakPolarHBondContact O-CB 3.41Å; D1277-A1281 PolarHBondContact O-N 2.87Å
1282C69.2Low67.2Low2 Ų246.4 Ų46.41%0.01424%0.244CC..Hα-helixtrans-74-24.2176.7-68.90000113.5G1278 I1279 A1280 H1284 S1285 T1294G1278-C1282 PolarHBondContact O-N 3.46Å; G1278-C1282 PolarHBondContact O-SG 3.06Å; I1279-C1282 PolarHBondContact O-N 2.67Å; A1280-C1282 VanDerWaalsContact C-N 3.26Å; A1280-C1282 PolarHBondContact O-N 3.41Å; C1282-H1284 VanDerWaalsContact C-N 3.31Å; C1282-S1285 WeakPolarHBondContact O-CB 3.44Å; C1282-S1285 PolarHBondContact O-N 3.15Å; C1282-S1285 PolarHBondContact O-OG 3.2Å; C1282-T1294 HydrophobicContact CB-CG2 3.42Å; C1282-T1294 VanDerWaalsContact CB-CG2 3.42Å
1283L67.1Low67.2Low9 Ų946.3 Ų46.35%0.04724%0.244CC..Hα-helixtrans-69.9-27.6175-77.1166.3000112.8I1279 A1280 S1285 L1298 L1327 F1347I1279-L1283 PolarHBondContact O-N 2.86Å; A1280-L1283 WeakPolarHBondContact O-CB 2.92Å; A1280-L1283 PolarHBondContact O-N 3.07Å; A1280-L1283 VanDerWaalsContact O-N 3.09Å; L1283-S1285 VanDerWaalsContact C-N 3.34Å; L1283-L1298 HydrophobicContact CD2-CD1 4.11Å; L1283-L1327 HydrophobicContact CD1-CD1 4.07Å; L1283-F1347 HydrophobicContact CD2-CZ 4.46Å
1284H64.1Low67.3Low103 Ų10339 Ų3948%0.47722%0.216SC..THydrogen-bonded Turntrans-88.11.5176.3-74.966.9000113.5C1282 E1326C1282-H1284 VanDerWaalsContact C-N 3.31Å; H1284-E1326 IonicContact CE1-OE1 3.01Å; H1284-E1326 PolarHBondContact CE1-OE1 3.24Å; H1284-E1326 IonicContact CE1-OE2 3.82Å; H1284-E1326 PolarHBondContact CE1-OE2 3.25Å; H1284-E1326 IonicContact ND1-OE1 3.7Å; H1284-E1326 IonicContact ND1-OE2 3.68Å; H1284-E1326 PolarHBondContact ND1-OE2 2.98Å; H1284-E1326 VanDerWaalsContact ND1-OE2 3.1Å; H1284-E1326 IonicContact NE2-OE1 3.6Å
1285S66.8Low67.4Low28 Ų2837.2 Ų37.220%0.19621%0.205CC..  trans-72138.4-178.9700000111.9C1282 L1283 H1287 V1291C1282-S1285 WeakPolarHBondContact O-CB 3.44Å; C1282-S1285 PolarHBondContact O-N 3.15Å; C1282-S1285 PolarHBondContact O-OG 3.2Å; L1283-S1285 VanDerWaalsContact C-N 3.34Å; S1285-H1287 PolarHBondContact O-N 3.5Å; S1285-V1291 WeakPolarHBondContact O-CG2 3.41Å; S1285-V1291 WeakPolarHBondContact OG-CG2 3.46Å
1286T59.6Low67.5Low124 Ų12440.7 Ų40.776%0.76122%0.22SC*.SBendtrans-72.6-5.1177.549.60000113.3
1287H62Low67.6Low101 Ų10140.5 Ų40.547%0.46822%0.219SC..  trans-100.8119.2-169.6-66.2-89.3000112.6S1285 K1289 A1290 V1291S1285-H1287 PolarHBondContact O-N 3.5Å; H1287-K1289 VanDerWaalsContact C-N 3.33Å; H1287-K1289 PolarHBondContact O-N 2.97Å; H1287-K1289 VanDerWaalsContact O-N 3.17Å; H1287-A1290 PolarHBondContact O-N 3.34Å; H1287-V1291 PolarHBondContact O-N 3.05Å
1288P64.1Low67.7Low55 Ų5535.5 Ų35.536%0.35719%0.192SC..Hα-helixtrans-67.2-23.7-168.324.3-34.2000114.9C1292 I1343P1288-C1292 VanDerWaalsContact O-CB 3.27Å; P1288-C1292 WeakPolarHBondContact O-CB 3.48Å; P1288-C1292 PolarHBondContact O-N 3.34Å; P1288-C1292 PolarHBondContact O-SG 3.24Å; P1288-I1343 HydrophobicContact CB-CD1 4.37Å; P1288-I1343 HydrophobicContact CB-CG1 4.22Å
1289K63.6Low67.8Low141 Ų14136.7 Ų36.761%0.61320%0.2SC*.Hα-helixtrans-75.5-39179.3-75.5-175.4179.2178.20112.9H1287 C1292 S1293H1287-K1289 VanDerWaalsContact C-N 3.33Å; H1287-K1289 PolarHBondContact O-N 2.97Å; H1287-K1289 VanDerWaalsContact O-N 3.17Å; K1289-C1292 PolarHBondContact O-N 3.21Å; K1289-S1293 PolarHBondContact O-N 3.19Å; K1289-S1293 VanDerWaalsContact O-N 3.09Å; K1289-S1293 PolarHBondContact O-OG 3.02Å
1290A65.8Low67.8Low19 Ų1940.4 Ų40.416%0.15722%0.216CC..Hα-helixtrans-65.3-47.5174.300000110H1287 C1292 S1293 T1294H1287-A1290 PolarHBondContact O-N 3.34Å; A1290-C1292 PolarHBondContact O-N 3.37Å; A1290-S1293 PolarHBondContact O-N 3.45Å; A1290-S1293 VanDerWaalsContact O-N 3.12Å; A1290-T1294 PolarHBondContact O-N 2.8Å; A1290-T1294 PolarHBondContact O-OG1 3.04Å
1291V67.8Low67.9Low7 Ų740.1 Ų40.14%0.04221%0.213CC..Hα-helixtrans-60.2-40.4174.6-178.40000112.2S1285 H1287 S1293 T1294 V1295 I1343 F1347S1285-V1291 WeakPolarHBondContact O-CG2 3.41Å; S1285-V1291 WeakPolarHBondContact OG-CG2 3.46Å; H1287-V1291 PolarHBondContact O-N 3.05Å; V1291-S1293 VanDerWaalsContact C-N 3.31Å; V1291-S1293 PolarHBondContact O-N 3.47Å; V1291-T1294 VanDerWaalsContact CA-OG1 3.27Å; V1291-T1294 WeakPolarHBondContact CA-OG1 3.2Å; V1291-T1294 PolarHBondContact O-OG1 3.17Å; V1291-V1295 HydrophobicContact CG1-CG2 4.49Å; V1291-V1295 WeakPolarHBondContact O-CB 3.27Å; V1291-V1295 VanDerWaalsContact O-CG2 3.22Å; V1291-V1295 WeakPolarHBondContact O-CG2 3.47Å; V1291-V1295 PolarHBondContact O-N 3.43Å; V1291-I1343 HydrophobicContact CG1-CG2 4.11Å; V1291-F1347 HydrophobicContact CG1-CE2 3.98Å; V1291-F1347 HydrophobicContact CG1-CZ 3.95Å
1292C68.9Low67.9Low25 Ų2539.2 Ų39.217%0.16920%0.204CC..Hα-helixtrans-63.9-36.6175.7-78.10000112.7P1288 K1289 A1290 K1296P1288-C1292 VanDerWaalsContact O-CB 3.27Å; P1288-C1292 WeakPolarHBondContact O-CB 3.48Å; P1288-C1292 PolarHBondContact O-N 3.34Å; P1288-C1292 PolarHBondContact O-SG 3.24Å; K1289-C1292 PolarHBondContact O-N 3.21Å; A1290-C1292 PolarHBondContact O-N 3.37Å; C1292-K1296 WeakPolarHBondContact O-CG 3.2Å; C1292-K1296 PolarHBondContact O-N 3.29Å; C1292-K1296 VanDerWaalsContact O-N 3.11Å
1293S69.4Low67.9Low8 Ų841.4 Ų41.46%0.05622%0.22CC..Hα-helixtrans-77.3-37.6-178.2-50.80000111K1289 A1290 V1291 K1296 V1297K1289-S1293 PolarHBondContact O-N 3.19Å; K1289-S1293 VanDerWaalsContact O-N 3.09Å; K1289-S1293 PolarHBondContact O-OG 3.02Å; A1290-S1293 PolarHBondContact O-N 3.45Å; A1290-S1293 VanDerWaalsContact O-N 3.12Å; V1291-S1293 VanDerWaalsContact C-N 3.31Å; V1291-S1293 PolarHBondContact O-N 3.47Å; S1293-K1296 WeakPolarHBondContact O-CB 3.37Å; S1293-K1296 PolarHBondContact O-N 3.36Å; S1293-V1297 WeakPolarHBondContact O-CG2 3.4Å; S1293-V1297 PolarHBondContact O-N 3.47Å
1294T70.5Confident68Low0 Ų041.6 Ų41.60%022%0.221CC..Hα-helixtrans-63.1-40.5169.446.50000112.2L1253 C1282 A1290 V1291 K1296 V1297 L1298L1253-T1294 HydrophobicContact CD1-CG2 3.81Å; L1253-T1294 HydrophobicContact CD2-CG2 4.03Å; C1282-T1294 HydrophobicContact CB-CG2 3.42Å; C1282-T1294 VanDerWaalsContact CB-CG2 3.42Å; A1290-T1294 PolarHBondContact O-N 2.8Å; A1290-T1294 PolarHBondContact O-OG1 3.04Å; V1291-T1294 VanDerWaalsContact CA-OG1 3.27Å; V1291-T1294 WeakPolarHBondContact CA-OG1 3.2Å; V1291-T1294 PolarHBondContact O-OG1 3.17Å; T1294-K1296 VanDerWaalsContact C-N 3.32Å; T1294-K1296 PolarHBondContact O-N 3.13Å; T1294-V1297 WeakPolarHBondContact O-CB 3.22Å; T1294-V1297 PolarHBondContact O-N 3.33Å; T1294-L1298 WeakPolarHBondContact O-CG 3.45Å; T1294-L1298 PolarHBondContact O-N 3.04Å
1295V70.2Confident68.3Low4 Ų437 Ų372%0.02420%0.199CC..Hα-helixtrans-62.8-37.7174.31730000111.6V1291 L1298 T1299 R1346 F1347 L1350V1291-V1295 HydrophobicContact CG1-CG2 4.49Å; V1291-V1295 WeakPolarHBondContact O-CB 3.27Å; V1291-V1295 VanDerWaalsContact O-CG2 3.22Å; V1291-V1295 WeakPolarHBondContact O-CG2 3.47Å; V1291-V1295 PolarHBondContact O-N 3.43Å; V1295-L1298 PolarHBondContact O-N 3.35Å; V1295-T1299 WeakPolarHBondContact O-CB 3.36Å; V1295-T1299 PolarHBondContact O-N 3.22Å; V1295-T1299 PolarHBondContact O-OG1 3.17Å; V1295-R1346 HydrophobicContact CB-CB 4.48Å; V1295-R1346 HydrophobicContact CG1-CB 3.98Å; V1295-R1346 WeakPolarHBondContact CG1-O 3.24Å; V1295-F1347 HydrophobicContact CG2-CD1 3.78Å; V1295-F1347 HydrophobicContact CG2-CE1 3.51Å; V1295-F1347 HydrophobicContact CG2-CG 4.44Å; V1295-F1347 HydrophobicContact CG2-CZ 3.93Å; V1295-L1350 HydrophobicContact CG1-CB 4.13Å; V1295-L1350 HydrophobicContact CG1-CD1 4.37Å
1296K70.6Confident68.1Low77 Ų7737.5 Ų37.534%0.33521%0.205SC..Hα-helixtrans-61.6-43.7172.4-71.1178-164.6168.20111.9D1254 C1292 S1293 T1294 T1299 K1300D1254-K1296 WeakPolarHBondContact OD1-CD 3.31Å; D1254-K1296 IonicContact OD1-NZ 2.72Å; D1254-K1296 PolarHBondContact OD1-NZ 2.95Å; D1254-K1296 IonicContact OD2-NZ 3.63Å; D1254-K1296 PolarHBondContact OD2-NZ 3.27Å; D1254-K1296 VanDerWaalsContact OD2-NZ 3.14Å; C1292-K1296 WeakPolarHBondContact O-CG 3.2Å; C1292-K1296 PolarHBondContact O-N 3.29Å; C1292-K1296 VanDerWaalsContact O-N 3.11Å; S1293-K1296 WeakPolarHBondContact O-CB 3.37Å; S1293-K1296 PolarHBondContact O-N 3.36Å; T1294-K1296 VanDerWaalsContact C-N 3.32Å; T1294-K1296 PolarHBondContact O-N 3.13Å; K1296-T1299 PolarHBondContact O-N 3.44Å; K1296-K1300 WeakPolarHBondContact O-CB 3.46Å; K1296-K1300 PolarHBondContact O-N 3.38Å
1297V73.3Confident68.1Low1 Ų139.2 Ų39.21%0.00621%0.209CC..Hα-helixtrans-59.5-49.4176.5174.40000110.2L1253 L1256 A1257 F1260 S1293 T1294 T1299 K1300 L1301L1253-V1297 HydrophobicContact CB-CG2 4.43Å; L1253-V1297 WeakPolarHBondContact O-CG2 3.48Å; L1256-V1297 HydrophobicContact CB-CG2 4.3Å; A1257-V1297 HydrophobicContact CB-CG2 3.91Å; F1260-V1297 HydrophobicContact CD2-CG1 4.11Å; F1260-V1297 HydrophobicContact CE2-CG1 4.19Å; S1293-V1297 WeakPolarHBondContact O-CG2 3.4Å; S1293-V1297 PolarHBondContact O-N 3.47Å; T1294-V1297 WeakPolarHBondContact O-CB 3.22Å; T1294-V1297 PolarHBondContact O-N 3.33Å; V1297-T1299 VanDerWaalsContact C-N 3.34Å; V1297-T1299 PolarHBondContact O-N 3.38Å; V1297-K1300 PolarHBondContact O-N 2.96Å; V1297-K1300 VanDerWaalsContact O-N 3.14Å; V1297-L1301 HydrophobicContact CG1-CD1 4.03Å; V1297-L1301 HydrophobicContact CG1-CG 4.45Å; V1297-L1301 WeakPolarHBondContact O-CG 2.73Å; V1297-L1301 PolarHBondContact O-N 2.68Å
1298L72.6Confident68Low5 Ų536.7 Ų36.73%0.02621%0.206CC..Hα-helixtrans-60.8-41.3177.7-70.6168.5000112.4L1283 T1294 V1295 K1300 L1301 H1302 L1323 L1327 L1350L1283-L1298 HydrophobicContact CD2-CD1 4.11Å; T1294-L1298 WeakPolarHBondContact O-CG 3.45Å; T1294-L1298 PolarHBondContact O-N 3.04Å; V1295-L1298 PolarHBondContact O-N 3.35Å; L1298-K1300 VanDerWaalsContact C-N 3.3Å; L1298-K1300 PolarHBondContact O-N 3.46Å; L1298-L1301 PolarHBondContact O-N 3.2Å; L1298-H1302 PolarHBondContact O-N 2.72Å; L1298-L1323 HydrophobicContact CD2-CD2 4.18Å; L1298-L1327 HydrophobicContact CD1-CD1 3.9Å; L1298-L1327 HydrophobicContact CD2-CD1 4Å; L1298-L1350 HydrophobicContact CB-CD1 3.75Å
1299T70.4Confident67.7Low25 Ų2537.6 Ų37.615%0.15323%0.225CC..Hα-helixtrans-62.6-41.1176.1-490000110.8V1295 K1296 V1297 H1302 C1303 L1350 N1353V1295-T1299 WeakPolarHBondContact O-CB 3.36Å; V1295-T1299 PolarHBondContact O-N 3.22Å; V1295-T1299 PolarHBondContact O-OG1 3.17Å; K1296-T1299 PolarHBondContact O-N 3.44Å; V1297-T1299 VanDerWaalsContact C-N 3.34Å; V1297-T1299 PolarHBondContact O-N 3.38Å; T1299-H1302 WeakPolarHBondContact O-CB 3.46Å; T1299-H1302 PolarHBondContact O-N 3.13Å; T1299-C1303 PolarHBondContact O-N 3.22Å; T1299-C1303 VanDerWaalsContact O-N 3.09Å; T1299-C1303 PolarHBondContact O-SG 3.04Å; T1299-L1350 VanDerWaalsContact OG1-CD1 3.31Å; T1299-L1350 WeakPolarHBondContact OG1-CD1 3.36Å; T1299-N1353 HydrophobicContact CG2-CB 4.21Å; T1299-N1353 WeakPolarHBondContact CG2-ND2 3.19Å
1300K70.1Confident67.5Low80 Ų8035.8 Ų35.835%0.34822%0.219SC..Hα-helixtrans-72.4-37.8-178.9-167.856.5177171.70112.2A1257 K1296 V1297 L1298 H1302 C1303 V1304A1257-K1300 WeakPolarHBondContact O-CG 3.21Å; K1296-K1300 WeakPolarHBondContact O-CB 3.46Å; K1296-K1300 PolarHBondContact O-N 3.38Å; V1297-K1300 PolarHBondContact O-N 2.96Å; V1297-K1300 VanDerWaalsContact O-N 3.14Å; L1298-K1300 VanDerWaalsContact C-N 3.3Å; L1298-K1300 PolarHBondContact O-N 3.46Å; K1300-H1302 VanDerWaalsContact C-N 3.35Å; K1300-C1303 PolarHBondContact O-N 3.17Å; K1300-V1304 VanDerWaalsContact O-CG2 3.23Å; K1300-V1304 WeakPolarHBondContact O-CG2 3.41Å; K1300-V1304 PolarHBondContact O-N 3.45Å
1301L71.5Confident67.2Low4 Ų438 Ų382%0.02123%0.228CC..Hα-helixtrans-60.3-44.2170.7-74.2172000111.6F1260 V1268 L1272 V1297 L1298 C1303 V1304 F1305 F1312F1260-L1301 HydrophobicContact CB-CD2 3.9Å; F1260-L1301 HydrophobicContact CD1-CD2 4.41Å; F1260-L1301 HydrophobicContact CD2-CD1 4.34Å; F1260-L1301 HydrophobicContact CD2-CD2 3.62Å; F1260-L1301 HydrophobicContact CD2-CG 4.04Å; F1260-L1301 HydrophobicContact CE2-CD1 4.4Å; F1260-L1301 HydrophobicContact CE2-CD2 4.18Å; F1260-L1301 HydrophobicContact CG-CD2 3.75Å; V1268-L1301 HydrophobicContact CG1-CD2 3.91Å; L1272-L1301 HydrophobicContact CD1-CD1 3.77Å; L1272-L1301 HydrophobicContact CD1-CD2 3.34Å; L1272-L1301 HydrophobicContact CD1-CG 4.15Å; L1272-L1301 HydrophobicContact CD2-CD1 4Å; L1272-L1301 HydrophobicContact CG-CD1 4.25Å; L1272-L1301 HydrophobicContact CG-CD2 4.39Å; V1297-L1301 HydrophobicContact CG1-CD1 4.03Å; V1297-L1301 HydrophobicContact CG1-CG 4.45Å; V1297-L1301 WeakPolarHBondContact O-CG 2.73Å; V1297-L1301 PolarHBondContact O-N 2.68Å; L1298-L1301 PolarHBondContact O-N 3.2Å; L1301-C1303 VanDerWaalsContact C-N 3.34Å; L1301-C1303 PolarHBondContact O-N 3.48Å; L1301-V1304 PolarHBondContact O-N 2.96Å; L1301-V1304 VanDerWaalsContact O-N 3.14Å; L1301-F1305 HydrophobicContact CB-CE2 4.41Å; L1301-F1305 HydrophobicContact CD2-CE2 4.31Å; L1301-F1305 WeakPolarHBondContact O-CD2 3.47Å; L1301-F1305 PolarHBondContact O-N 3.34Å; L1301-F1312 HydrophobicContact CB-CE2 4.23Å
1302H68.1Low67Low5 Ų538.3 Ų38.32%0.02323%0.229CC..Hα-helixtrans-56.9-47.4174.217965.2000111.8L1298 T1299 K1300 V1304 F1305 A1306 F1312 N1353 V1354 T1357L1298-H1302 PolarHBondContact O-N 2.72Å; T1299-H1302 WeakPolarHBondContact O-CB 3.46Å; T1299-H1302 PolarHBondContact O-N 3.13Å; K1300-H1302 VanDerWaalsContact C-N 3.35Å; H1302-V1304 VanDerWaalsContact C-N 3.29Å; H1302-V1304 PolarHBondContact O-N 3.46Å; H1302-F1305 PolarHBondContact O-N 3.01Å; H1302-A1306 VanDerWaalsContact O-CB 3.23Å; H1302-A1306 WeakPolarHBondContact O-CB 3.44Å; H1302-A1306 PolarHBondContact O-N 2.65Å; H1302-F1312 HydrophobicContact CB-CD2 4.21Å; H1302-F1312 HydrophobicContact CB-CE2 4.21Å; H1302-F1312 HydrophobicContact CB-CG 4.4Å; H1302-F1312 HydrophobicContact CB-CZ 4.38Å; H1302-F1312 WeakPolarHBondContact ND1-CB 3.13Å; H1302-F1312 AromaticContact ND1-CD1 3.84Å; H1302-F1312 AromaticContact ND1-CG 3.52Å; H1302-N1353 PolarHBondContact NE2-O 3.33Å; H1302-V1354 HydrophobicContact CB-CG2 4.42Å; H1302-V1354 WeakPolarHBondContact NE2-CA 3.4Å; H1302-T1357 PolarHBondContact CE1-OG1 2.84Å; H1302-T1357 PolarHBondContact NE2-OG1 2.78Å
1303C69.5Low66.5Low49 Ų4937.4 Ų37.433%0.33122%0.222SC..Hα-helixtrans-59.8-38.4176.4-64.20000112.8T1299 K1300 L1301 L1307T1299-C1303 PolarHBondContact O-N 3.22Å; T1299-C1303 VanDerWaalsContact O-N 3.09Å; T1299-C1303 PolarHBondContact O-SG 3.04Å; K1300-C1303 PolarHBondContact O-N 3.17Å; L1301-C1303 VanDerWaalsContact C-N 3.34Å; L1301-C1303 PolarHBondContact O-N 3.48Å; C1303-L1307 WeakPolarHBondContact O-CB 3.36Å; C1303-L1307 WeakPolarHBondContact O-CD1 3.4Å; C1303-L1307 PolarHBondContact O-N 3.29Å; C1303-L1307 VanDerWaalsContact O-N 3.1Å
1304V69.4Low66.1Low12 Ų1239.6 Ų39.67%0.07324%0.236CC..Hα-helixtrans-67.2-46.3-179.8170.50000111.1F1260 C1265 V1268 K1300 L1301 H1302 L1307 A1308F1260-V1304 VanDerWaalsContact O-CG2 3.24Å; F1260-V1304 WeakPolarHBondContact O-CG2 3.34Å; C1265-V1304 PolarHBondContact SG-O 3.21Å; V1268-V1304 HydrophobicContact CG2-CG1 4.46Å; K1300-V1304 VanDerWaalsContact O-CG2 3.23Å; K1300-V1304 WeakPolarHBondContact O-CG2 3.41Å; K1300-V1304 PolarHBondContact O-N 3.45Å; L1301-V1304 PolarHBondContact O-N 2.96Å; L1301-V1304 VanDerWaalsContact O-N 3.14Å; H1302-V1304 VanDerWaalsContact C-N 3.29Å; H1302-V1304 PolarHBondContact O-N 3.46Å; V1304-L1307 PolarHBondContact O-N 3.5Å; V1304-A1308 PolarHBondContact O-N 2.92Å
1305F69.3Low65.7Low6 Ų640.2 Ų40.23%0.02624%0.239CC..Hα-helixtrans-70.4-35.1177.4-69.2-64.6000112.9V1268 V1269 L1272 L1301 H1302 L1307 A1308 G1309 Q1310 F1312 V1315V1268-F1305 HydrophobicContact CG1-CZ 4.18Å; V1269-F1305 HydrophobicContact CG2-CE1 3.82Å; V1269-F1305 HydrophobicContact CG2-CZ 4.03Å; L1272-F1305 HydrophobicContact CD1-CE2 4.3Å; L1272-F1305 HydrophobicContact CD1-CZ 4.35Å; L1301-F1305 HydrophobicContact CB-CE2 4.41Å; L1301-F1305 HydrophobicContact CD2-CE2 4.31Å; L1301-F1305 WeakPolarHBondContact O-CD2 3.47Å; L1301-F1305 PolarHBondContact O-N 3.34Å; H1302-F1305 PolarHBondContact O-N 3.01Å; F1305-L1307 PolarHBondContact O-N 3.21Å; F1305-A1308 PolarHBondContact O-N 3.14Å; F1305-A1308 VanDerWaalsContact O-N 3.17Å; F1305-G1309 PolarHBondContact O-N 3.22Å; F1305-Q1310 PolarHBondContact O-N 3.27Å; F1305-F1312 HydrophobicContact CB-CD2 4.38Å; F1305-F1312 AromaticContact CD2-CD2 3.81Å; F1305-F1312 HydrophobicContact CD2-CD2 3.81Å; F1305-F1312 HydrophobicContact CD2-CE2 4.04Å; F1305-F1312 HydrophobicContact CG-CD2 4.47Å; F1305-V1315 HydrophobicContact CD1-CG1 4.3Å; F1305-V1315 HydrophobicContact CD1-CG2 4.43Å; F1305-V1315 HydrophobicContact CE1-CG1 3.92Å; F1305-V1315 HydrophobicContact CZ-CG1 4.09Å
1306A62.9Low65.3Low39 Ų3940.6 Ų40.632%0.32224%0.241SC..Hα-helixtrans-63.5-38.8175.300000112.6H1302 A1308 G1309 T1357H1302-A1306 VanDerWaalsContact O-CB 3.23Å; H1302-A1306 WeakPolarHBondContact O-CB 3.44Å; H1302-A1306 PolarHBondContact O-N 2.65Å; A1306-A1308 PolarHBondContact O-N 2.92Å; A1306-G1309 PolarHBondContact O-N 3.46Å; A1306-T1357 HydrophobicContact CB-CG2 3.83Å
1307L60.1Low64.7Low160 Ų16039.2 Ų39.284%0.83824%0.241SC*.Hα-helixtrans-65-26.2174.5-95.6148.4000113.2C1303 V1304 F1305C1303-L1307 WeakPolarHBondContact O-CB 3.36Å; C1303-L1307 WeakPolarHBondContact O-CD1 3.4Å; C1303-L1307 PolarHBondContact O-N 3.29Å; C1303-L1307 VanDerWaalsContact O-N 3.1Å; V1304-L1307 PolarHBondContact O-N 3.5Å; F1305-L1307 PolarHBondContact O-N 3.21Å
1308A59.9Low64.1Low49 Ų4946.7 Ų46.741%0.40528%0.276SS..THydrogen-bonded Turntrans-914.5176.800000114.3C1265 V1304 F1305 A1306 Q1310C1265-A1308 HydrophobicContact CB-CB 4.09Å; C1265-A1308 WeakPolarHBondContact SG-CB 3.49Å; V1304-A1308 PolarHBondContact O-N 2.92Å; F1305-A1308 PolarHBondContact O-N 3.14Å; F1305-A1308 VanDerWaalsContact O-N 3.17Å; A1306-A1308 PolarHBondContact O-N 2.92Å; A1308-Q1310 PolarHBondContact O-N 3.4Å
1309G57.7Low63.5Low73 Ų7348.5 Ų48.575%0.75329%0.288SS*.THydrogen-bonded Turntrans68.314.217900000115F1305 A1306F1305-G1309 PolarHBondContact O-N 3.22Å; A1306-G1309 PolarHBondContact O-N 3.46Å
1310Q59.8Low63.2Low104 Ų10448 Ų4849%0.48628%0.283SS..  trans-97.7131.2174.9-67.3-171.1-7.500110.6F1305 A1308 F1312 V1315F1305-Q1310 PolarHBondContact O-N 3.27Å; A1308-Q1310 PolarHBondContact O-N 3.4Å; Q1310-F1312 PolarHBondContact O-N 3.29Å; Q1310-V1315 HydrophobicContact CB-CG2 3.85Å
1311D59.4Low62.9Low66 Ų6648 Ų4835%0.35329%0.292SS..  trans-63.2119.5178-106.9-14.9000110.6S1313 T1314 V1315D1311-S1313 PolarHBondContact O-N 3.35Å; D1311-T1314 HydrophobicContact CB-CG2 3.96Å; D1311-T1314 VanDerWaalsContact CB-OG1 3.27Å; D1311-T1314 WeakPolarHBondContact CB-OG1 3.45Å; D1311-T1314 PolarHBondContact O-N 2.95Å; D1311-T1314 PolarHBondContact O-OG1 3.36Å; D1311-V1315 PolarHBondContact O-N 2.97Å; D1311-V1315 VanDerWaalsContact O-N 3.12Å
1312F64.2Low62.7Low13 Ų1350.8 Ų50.86%0.05731%0.312CS..Hα-helixtrans-54.1-30.4179.4-173.7-112.8000112.5L1301 H1302 F1305 Q1310 L1316 L1361L1301-F1312 HydrophobicContact CB-CE2 4.23Å; H1302-F1312 HydrophobicContact CB-CD2 4.21Å; H1302-F1312 HydrophobicContact CB-CE2 4.21Å; H1302-F1312 HydrophobicContact CB-CG 4.4Å; H1302-F1312 HydrophobicContact CB-CZ 4.38Å; H1302-F1312 WeakPolarHBondContact ND1-CB 3.13Å; H1302-F1312 AromaticContact ND1-CD1 3.84Å; H1302-F1312 AromaticContact ND1-CG 3.52Å; F1305-F1312 HydrophobicContact CB-CD2 4.38Å; F1305-F1312 AromaticContact CD2-CD2 3.81Å; F1305-F1312 HydrophobicContact CD2-CD2 3.81Å; F1305-F1312 HydrophobicContact CD2-CE2 4.04Å; F1305-F1312 HydrophobicContact CG-CD2 4.47Å; Q1310-F1312 PolarHBondContact O-N 3.29Å; F1312-L1316 HydrophobicContact CD1-CD1 3.62Å; F1312-L1316 HydrophobicContact CD2-CD1 4.49Å; F1312-L1316 HydrophobicContact CE1-CD1 3.3Å; F1312-L1316 HydrophobicContact CE1-CG 4.39Å; F1312-L1316 HydrophobicContact CE2-CD1 4.23Å; F1312-L1316 HydrophobicContact CG-CD1 4.22Å; F1312-L1316 HydrophobicContact CZ-CD1 3.64Å; F1312-L1316 HydrophobicContact CZ-CG 4.36Å; F1312-L1316 VanDerWaalsContact O-CB 3.28Å; F1312-L1316 WeakPolarHBondContact O-CB 3.35Å; F1312-L1316 WeakPolarHBondContact O-CD1 3.32Å; F1312-L1316 VanDerWaalsContact O-CG 3.29Å; F1312-L1316 WeakPolarHBondContact O-CG 3.29Å; F1312-L1316 PolarHBondContact O-N 3.38Å; F1312-L1316 VanDerWaalsContact O-N 3.11Å; F1312-L1361 HydrophobicContact CD1-CD1 3.84Å; F1312-L1361 HydrophobicContact CE1-CD1 4.49Å
1313S57.9Low62.7Low5 Ų550.8 Ų50.84%0.03531%0.312CS..Hα-helixtrans-66.8-44.1175174.90000114D1311 S1317 S1360D1311-S1313 PolarHBondContact O-N 3.35Å; S1313-S1317 WeakPolarHBondContact O-CB 3.49Å; S1313-S1317 PolarHBondContact O-N 3.48Å; S1313-S1317 PolarHBondContact O-OG 3.09Å; S1313-S1360 WeakPolarHBondContact CB-OG 3.48Å; S1313-S1360 PolarHBondContact OG-OG 3Å
1314T60.6Low62.4Low54 Ų5451 Ų5133%0.33131%0.307SS..Hα-helixtrans-73.9-42.2-176.851.80000110.3D1311 L1316 S1317 E1318D1311-T1314 HydrophobicContact CB-CG2 3.96Å; D1311-T1314 VanDerWaalsContact CB-OG1 3.27Å; D1311-T1314 WeakPolarHBondContact CB-OG1 3.45Å; D1311-T1314 PolarHBondContact O-N 2.95Å; D1311-T1314 PolarHBondContact O-OG1 3.36Å; T1314-L1316 PolarHBondContact O-N 2.7Å; T1314-S1317 WeakPolarHBondContact CA-OG 3.36Å; T1314-S1317 PolarHBondContact O-N 3.24Å; T1314-S1317 PolarHBondContact O-OG 3.32Å; T1314-E1318 WeakPolarHBondContact O-CB 3.32Å; T1314-E1318 WeakPolarHBondContact O-CG 3.44Å; T1314-E1318 PolarHBondContact O-N 2.99Å
1315V62.4Low62.3Low13 Ų1354.5 Ų54.58%0.07933%0.329CS..Hα-helixtrans-61.8-45.6174.3-1790000111F1305 Q1310 D1311 S1317 T1319F1305-V1315 HydrophobicContact CD1-CG1 4.3Å; F1305-V1315 HydrophobicContact CD1-CG2 4.43Å; F1305-V1315 HydrophobicContact CE1-CG1 3.92Å; F1305-V1315 HydrophobicContact CZ-CG1 4.09Å; Q1310-V1315 HydrophobicContact CB-CG2 3.85Å; D1311-V1315 PolarHBondContact O-N 2.97Å; D1311-V1315 VanDerWaalsContact O-N 3.12Å; V1315-S1317 PolarHBondContact O-N 3.43Å; V1315-T1319 PolarHBondContact O-N 2.99Å; V1315-T1319 PolarHBondContact O-OG1 3.03Å
1316L61.8Low62.2Low12 Ų1257.2 Ų57.26%0.06334%0.342CS..Hα-helixtrans-63.5-38.1175-82.5169.5000113F1312 T1314 F1320 C1321 L1323 K1324 L1361F1312-L1316 HydrophobicContact CD1-CD1 3.62Å; F1312-L1316 HydrophobicContact CD2-CD1 4.49Å; F1312-L1316 HydrophobicContact CE1-CD1 3.3Å; F1312-L1316 HydrophobicContact CE1-CG 4.39Å; F1312-L1316 HydrophobicContact CE2-CD1 4.23Å; F1312-L1316 HydrophobicContact CG-CD1 4.22Å; F1312-L1316 HydrophobicContact CZ-CD1 3.64Å; F1312-L1316 HydrophobicContact CZ-CG 4.36Å; F1312-L1316 VanDerWaalsContact O-CB 3.28Å; F1312-L1316 WeakPolarHBondContact O-CB 3.35Å; F1312-L1316 WeakPolarHBondContact O-CD1 3.32Å; F1312-L1316 VanDerWaalsContact O-CG 3.29Å; F1312-L1316 WeakPolarHBondContact O-CG 3.29Å; F1312-L1316 PolarHBondContact O-N 3.38Å; F1312-L1316 VanDerWaalsContact O-N 3.11Å; T1314-L1316 PolarHBondContact O-N 2.7Å; L1316-F1320 HydrophobicContact CD2-CB 4.13Å; L1316-F1320 CarbonylContact O-C 3.6Å; L1316-F1320 VanDerWaalsContact O-CA 3.31Å; L1316-F1320 WeakPolarHBondContact O-CA 3.46Å; L1316-F1320 PolarHBondContact O-N 3.48Å; L1316-C1321 PolarHBondContact O-N 3.43Å; L1316-L1323 HydrophobicContact CD2-CD2 3.73Å; L1316-K1324 HydrophobicContact CB-CB 4.4Å; L1316-L1361 HydrophobicContact CD1-CD1 4.11Å
1317S58.4Low62.4Low48 Ų4856.2 Ų56.234%0.33633%0.331SS..Hα-helixtrans-75-40.1178.849.60000114.2S1313 T1314 V1315S1313-S1317 WeakPolarHBondContact O-CB 3.49Å; S1313-S1317 PolarHBondContact O-N 3.48Å; S1313-S1317 PolarHBondContact O-OG 3.09Å; T1314-S1317 WeakPolarHBondContact CA-OG 3.36Å; T1314-S1317 PolarHBondContact O-N 3.24Å; T1314-S1317 PolarHBondContact O-OG 3.32Å; V1315-S1317 PolarHBondContact O-N 3.43Å
1318E60.8Low62.8Low159 Ų15950.6 Ų50.674%0.74330%0.303SS*.Hα-helixtrans-78.7-27.8-176.3-71.1-178.4173.700112T1314T1314-E1318 WeakPolarHBondContact O-CB 3.32Å; T1314-E1318 WeakPolarHBondContact O-CG 3.44Å; T1314-E1318 PolarHBondContact O-N 2.99Å
1319T58.6Low63.4Low43 Ų4351.3 Ų51.326%0.26431%0.305SS..Hα-helixtrans-120.5-22.8-173.266.10000116V1315V1315-T1319 PolarHBondContact O-N 2.99Å; V1315-T1319 PolarHBondContact O-OG1 3.03Å
1320F65.2Low63.8Low13 Ų1349 Ų496%0.05728%0.276CS..  trans-139.552.6-173.6-57.5-54.2000114.4V1269 L1272 R1273 V1276 L1316 S1322 L1323 K1324V1269-F1320 HydrophobicContact CG1-CE2 4.4Å; V1269-F1320 HydrophobicContact CG1-CZ 4.16Å; L1272-F1320 HydrophobicContact CB-CE2 4.11Å; L1272-F1320 HydrophobicContact CB-CZ 3.87Å; R1273-F1320 HydrophobicContact CB-CE1 3.56Å; R1273-F1320 HydrophobicContact CB-CZ 4.01Å; R1273-F1320 HydrophobicContact CG-CE1 4.05Å; V1276-F1320 HydrophobicContact CG2-CD1 3.57Å; V1276-F1320 HydrophobicContact CG2-CE1 3.9Å; V1276-F1320 HydrophobicContact CG2-CG 4.09Å; L1316-F1320 HydrophobicContact CD2-CB 4.13Å; L1316-F1320 CarbonylContact O-C 3.6Å; L1316-F1320 VanDerWaalsContact O-CA 3.31Å; L1316-F1320 WeakPolarHBondContact O-CA 3.46Å; L1316-F1320 PolarHBondContact O-N 3.48Å; F1320-S1322 VanDerWaalsContact C-N 3.3Å; F1320-S1322 PolarHBondContact O-N 3.28Å; F1320-L1323 HydrophobicContact CB-CB 4.41Å; F1320-L1323 PolarHBondContact O-N 3.26Å; F1320-L1323 VanDerWaalsContact O-N 3.16Å; F1320-K1324 PolarHBondContact O-N 2.89Å
1321C64.5Low64.1Low81 Ų8144.1 Ų44.155%0.54725%0.254SS..Hα-helixtrans-58-35.5-171.9-154.40000114.1L1316 L1323 K1324 T1325L1316-C1321 PolarHBondContact O-N 3.43Å; C1321-L1323 PolarHBondContact O-N 3.39Å; C1321-K1324 PolarHBondContact O-N 3.38Å; C1321-T1325 PolarHBondContact O-N 3.47Å; C1321-T1325 VanDerWaalsContact O-N 3.12Å; C1321-T1325 PolarHBondContact O-OG1 3.34Å
1322S67.2Low64.5Low62 Ų6242.9 Ų42.943%0.43425%0.25SS..Hα-helixtrans-62.2-41.3177.553.10000113.3F1320 T1325 E1326F1320-S1322 VanDerWaalsContact C-N 3.3Å; F1320-S1322 PolarHBondContact O-N 3.28Å; S1322-T1325 PolarHBondContact O-N 3Å; S1322-T1325 PolarHBondContact O-OG1 3.21Å; S1322-E1326 PolarHBondContact O-N 3.09Å; S1322-E1326 VanDerWaalsContact O-N 3.13Å
1323L66.9Low64.8Low5 Ų547.9 Ų47.93%0.02627%0.274CS..Hα-helixtrans-71.7-35.6-179.6-163131.8000111.1V1276 I1279 L1298 L1316 F1320 C1321 L1327V1276-L1323 HydrophobicContact CB-CD1 4.44Å; V1276-L1323 HydrophobicContact CG1-CB 4.23Å; V1276-L1323 HydrophobicContact CG1-CD1 3.93Å; V1276-L1323 HydrophobicContact CG2-CD1 4.32Å; I1279-L1323 HydrophobicContact CB-CD1 4.37Å; I1279-L1323 HydrophobicContact CG2-CD1 4.13Å; L1298-L1323 HydrophobicContact CD2-CD2 4.18Å; L1316-L1323 HydrophobicContact CD2-CD2 3.73Å; F1320-L1323 HydrophobicContact CB-CB 4.41Å; F1320-L1323 PolarHBondContact O-N 3.26Å; F1320-L1323 VanDerWaalsContact O-N 3.16Å; C1321-L1323 PolarHBondContact O-N 3.39Å; L1323-L1327 HydrophobicContact CD2-CD1 3.61Å; L1323-L1327 HydrophobicContact CG-CD1 4.35Å; L1323-L1327 VanDerWaalsContact O-CB 3.31Å; L1323-L1327 WeakPolarHBondContact O-CB 3.49Å; L1323-L1327 PolarHBondContact O-N 3.43Å
1324K62.9Low65.1Low53 Ų5350 Ų5023%0.2328%0.283CS..Hα-helixtrans-63.8-45.4173.7-175177179.31700111.8L1316 F1320 C1321 L1327 V1328L1316-K1324 HydrophobicContact CB-CB 4.4Å; F1320-K1324 PolarHBondContact O-N 2.89Å; C1321-K1324 PolarHBondContact O-N 3.38Å; K1324-L1327 PolarHBondContact O-N 3.38Å; K1324-V1328 WeakPolarHBondContact O-CB 3.45Å; K1324-V1328 VanDerWaalsContact O-CG2 3.23Å; K1324-V1328 WeakPolarHBondContact O-CG2 3.41Å; K1324-V1328 PolarHBondContact O-N 2.78Å
1325T67.9Low65.2Low86 Ų8648.5 Ų48.553%0.52827%0.273SS..Hα-helixtrans-65.5-40.8179.6450000112.6C1321 S1322 S1329C1321-T1325 PolarHBondContact O-N 3.47Å; C1321-T1325 VanDerWaalsContact O-N 3.12Å; C1321-T1325 PolarHBondContact O-OG1 3.34Å; S1322-T1325 PolarHBondContact O-N 3Å; S1322-T1325 PolarHBondContact O-OG1 3.21Å; T1325-S1329 WeakPolarHBondContact O-CB 3.27Å; T1325-S1329 PolarHBondContact O-N 3.48Å; T1325-S1329 PolarHBondContact O-OG 3.29Å
1326E67.4Low65.1Low64 Ų6451.1 Ų51.130%0.29930%0.296SS..Hα-helixtrans-71.1-38.6175.4-78.5-153166.700112.9H1284 S1322 V1328 S1329 V1330H1284-E1326 IonicContact CE1-OE1 3.01Å; H1284-E1326 PolarHBondContact CE1-OE1 3.24Å; H1284-E1326 IonicContact CE1-OE2 3.82Å; H1284-E1326 PolarHBondContact CE1-OE2 3.25Å; H1284-E1326 IonicContact ND1-OE1 3.7Å; H1284-E1326 IonicContact ND1-OE2 3.68Å; H1284-E1326 PolarHBondContact ND1-OE2 2.98Å; H1284-E1326 VanDerWaalsContact ND1-OE2 3.1Å; H1284-E1326 IonicContact NE2-OE1 3.6Å; S1322-E1326 PolarHBondContact O-N 3.09Å; S1322-E1326 VanDerWaalsContact O-N 3.13Å; E1326-V1328 VanDerWaalsContact C-N 3.32Å; E1326-V1328 PolarHBondContact O-N 3.23Å; E1326-S1329 PolarHBondContact O-N 2.82Å; E1326-S1329 PolarHBondContact O-OG 2.92Å; E1326-S1329 VanDerWaalsContact O-OG 3.07Å; E1326-V1330 WeakPolarHBondContact O-CB 3.37Å; E1326-V1330 VanDerWaalsContact O-CG2 3.26Å; E1326-V1330 WeakPolarHBondContact O-CG2 3.37Å; E1326-V1330 PolarHBondContact O-N 3.44Å
1327L67.6Low65.2Low17 Ų1753.6 Ų53.69%0.08931%0.312CS..Hα-helixtrans-60.5-44.7175.5-124.8119.2000111.1L1283 L1298 L1323 K1324 L1331 L1350L1283-L1327 HydrophobicContact CD1-CD1 4.07Å; L1298-L1327 HydrophobicContact CD1-CD1 3.9Å; L1298-L1327 HydrophobicContact CD2-CD1 4Å; L1323-L1327 HydrophobicContact CD2-CD1 3.61Å; L1323-L1327 HydrophobicContact CG-CD1 4.35Å; L1323-L1327 VanDerWaalsContact O-CB 3.31Å; L1323-L1327 WeakPolarHBondContact O-CB 3.49Å; L1323-L1327 PolarHBondContact O-N 3.43Å; K1324-L1327 PolarHBondContact O-N 3.38Å; L1327-L1331 HydrophobicContact CD2-CD1 3.68Å; L1327-L1331 HydrophobicContact CG-CD1 4.5Å; L1327-L1331 WeakPolarHBondContact O-CB 3.5Å; L1327-L1331 WeakPolarHBondContact O-CD1 3.26Å; L1327-L1331 WeakPolarHBondContact O-CG 3.34Å; L1327-L1331 PolarHBondContact O-N 3.3Å; L1327-L1350 HydrophobicContact CD2-CD2 4.32Å
1328V67.1Low65.2Low42 Ų4254.2 Ų54.226%0.25531%0.311SS..Hα-helixtrans-68.2-40.5-179.5173.40000111.1K1324 E1326 S1332 F1365K1324-V1328 WeakPolarHBondContact O-CB 3.45Å; K1324-V1328 VanDerWaalsContact O-CG2 3.23Å; K1324-V1328 WeakPolarHBondContact O-CG2 3.41Å; K1324-V1328 PolarHBondContact O-N 2.78Å; E1326-V1328 VanDerWaalsContact C-N 3.32Å; E1326-V1328 PolarHBondContact O-N 3.23Å; V1328-S1332 WeakPolarHBondContact O-CB 3.24Å; V1328-S1332 PolarHBondContact O-N 3.45Å; V1328-S1332 PolarHBondContact O-OG 2.94Å; V1328-F1365 HydrophobicContact CB-CZ 4.32Å; V1328-F1365 HydrophobicContact CG1-CE1 4.31Å; V1328-F1365 HydrophobicContact CG1-CZ 4.45Å; V1328-F1365 HydrophobicContact CG2-CE1 4.45Å; V1328-F1365 HydrophobicContact CG2-CZ 3.8Å
1329S72.7Confident65Low64 Ų6450.9 Ų50.945%0.44831%0.305SS..Hα-helixtrans-67.9-46.5178.870.20000112.3T1325 E1326 S1332 H1333T1325-S1329 WeakPolarHBondContact O-CB 3.27Å; T1325-S1329 PolarHBondContact O-N 3.48Å; T1325-S1329 PolarHBondContact O-OG 3.29Å; E1326-S1329 PolarHBondContact O-N 2.82Å; E1326-S1329 PolarHBondContact O-OG 2.92Å; E1326-S1329 VanDerWaalsContact O-OG 3.07Å; S1329-S1332 PolarHBondContact O-N 3.28Å; S1329-H1333 VanDerWaalsContact O-CB 3.3Å; S1329-H1333 WeakPolarHBondContact O-CB 3.36Å; S1329-H1333 PolarHBondContact O-N 3.26Å
1330V67.5Low65.1Low24 Ų2451.8 Ų51.815%0.14531%0.308CS..Hα-helixtrans-66.6-45179.8174.40000110.8E1326 H1333 E1334E1326-V1330 WeakPolarHBondContact O-CB 3.37Å; E1326-V1330 VanDerWaalsContact O-CG2 3.26Å; E1326-V1330 WeakPolarHBondContact O-CG2 3.37Å; E1326-V1330 PolarHBondContact O-N 3.44Å; V1330-H1333 PolarHBondContact O-N 2.99Å; V1330-E1334 HydrophobicContact CG1-CG 4.33Å; V1330-E1334 WeakPolarHBondContact O-CB 3.32Å; V1330-E1334 VanDerWaalsContact O-CG 3.31Å; V1330-E1334 WeakPolarHBondContact O-CG 3.49Å; V1330-E1334 PolarHBondContact O-N 2.84Å
1331L65.6Low64.8Low2 Ų254.2 Ų54.21%0.0133%0.325CS..Hα-helixtrans-64.3-43.6176.8-78170.8000112.4L1327 H1333 I1335 F1347 F1365L1327-L1331 HydrophobicContact CD2-CD1 3.68Å; L1327-L1331 HydrophobicContact CG-CD1 4.5Å; L1327-L1331 WeakPolarHBondContact O-CB 3.5Å; L1327-L1331 WeakPolarHBondContact O-CD1 3.26Å; L1327-L1331 WeakPolarHBondContact O-CG 3.34Å; L1327-L1331 PolarHBondContact O-N 3.3Å; L1331-H1333 VanDerWaalsContact C-N 3.31Å; L1331-H1333 PolarHBondContact O-N 3.03Å; L1331-I1335 HydrophobicContact CB-CD1 4.47Å; L1331-I1335 VanDerWaalsContact O-CB 3.24Å; L1331-I1335 WeakPolarHBondContact O-CB 3.16Å; L1331-I1335 WeakPolarHBondContact O-CD1 3.31Å; L1331-I1335 WeakPolarHBondContact O-CG1 3.44Å; L1331-I1335 PolarHBondContact O-N 3.21Å; L1331-F1347 HydrophobicContact CD2-CB 3.68Å; L1331-F1347 HydrophobicContact CD2-CD1 3.31Å; L1331-F1347 HydrophobicContact CD2-CD2 4.35Å; L1331-F1347 HydrophobicContact CD2-CE1 3.93Å; L1331-F1347 HydrophobicContact CD2-CG 3.56Å; L1331-F1347 HydrophobicContact CG-CD1 4.3Å; L1331-F1365 HydrophobicContact CB-CE1 3.9Å; L1331-F1365 HydrophobicContact CB-CZ 4.32Å; L1331-F1365 HydrophobicContact CD1-CE1 4.19Å; L1331-F1365 HydrophobicContact CD1-CE2 4.48Å; L1331-F1365 HydrophobicContact CD1-CZ 3.81Å
1332S66.9Low64.6Low40 Ų4059.5 Ų59.528%0.2833%0.334SS..Hα-helixtrans-65.6-37.1179.1-56.50000111.4V1328 S1329 A1336V1328-S1332 WeakPolarHBondContact O-CB 3.24Å; V1328-S1332 PolarHBondContact O-N 3.45Å; V1328-S1332 PolarHBondContact O-OG 2.94Å; S1329-S1332 PolarHBondContact O-N 3.28Å; S1332-A1336 WeakPolarHBondContact O-CB 3.28Å; S1332-A1336 PolarHBondContact O-N 2.87Å; S1332-A1336 VanDerWaalsContact O-N 3.14Å
1333H70.3Confident64.2Low119 Ų11957.5 Ų57.555%0.55132%0.318SS*.Hα-helixtrans-69.3-46.2177.1-170.70.3000112.3S1329 V1330 L1331 A1336 T1337S1329-H1333 VanDerWaalsContact O-CB 3.3Å; S1329-H1333 WeakPolarHBondContact O-CB 3.36Å; S1329-H1333 PolarHBondContact O-N 3.26Å; V1330-H1333 PolarHBondContact O-N 2.99Å; L1331-H1333 VanDerWaalsContact C-N 3.31Å; L1331-H1333 PolarHBondContact O-N 3.03Å; H1333-A1336 PolarHBondContact O-N 3.45Å; H1333-T1337 VanDerWaalsContact CE1-CG2 3.42Å; H1333-T1337 WeakPolarHBondContact CE1-CG2 3.45Å; H1333-T1337 VanDerWaalsContact ND1-CG2 3.34Å; H1333-T1337 WeakPolarHBondContact ND1-CG2 3.42Å; H1333-T1337 WeakPolarHBondContact O-CG2 3.32Å; H1333-T1337 PolarHBondContact O-N 3.5Å; H1333-T1337 PolarHBondContact O-OG1 3.38Å
1334E64.3Low64.1Low48 Ų4857.7 Ų57.722%0.22432%0.319CS..Hα-helixtrans-69.9-35-179.5-72.6-69.6153.300112.6V1330 A1336 L1338V1330-E1334 HydrophobicContact CG1-CG 4.33Å; V1330-E1334 WeakPolarHBondContact O-CB 3.32Å; V1330-E1334 VanDerWaalsContact O-CG 3.31Å; V1330-E1334 WeakPolarHBondContact O-CG 3.49Å; V1330-E1334 PolarHBondContact O-N 2.84Å; E1334-A1336 VanDerWaalsContact C-N 3.35Å; E1334-L1338 PolarHBondContact O-N 3.15Å
1335I63.7Low64.1Low23 Ų2358.1 Ų58.112%0.11832%0.324CS..Hα-helixtrans-70.2-32.5174.3-67.4167.6000111.1L1331 L1351 A1372L1331-I1335 HydrophobicContact CB-CD1 4.47Å; L1331-I1335 VanDerWaalsContact O-CB 3.24Å; L1331-I1335 WeakPolarHBondContact O-CB 3.16Å; L1331-I1335 WeakPolarHBondContact O-CD1 3.31Å; L1331-I1335 WeakPolarHBondContact O-CG1 3.44Å; L1331-I1335 PolarHBondContact O-N 3.21Å; I1335-L1351 HydrophobicContact CD1-CD1 4.03Å; I1335-A1372 HydrophobicContact CG2-CB 3.87Å
1336A60.2Low63.8Low68 Ų6859.4 Ų59.456%0.56232%0.319SS*.Hα-helixtrans-81.2-28.4178.400000114.2S1332 H1333 E1334S1332-A1336 WeakPolarHBondContact O-CB 3.28Å; S1332-A1336 PolarHBondContact O-N 2.87Å; S1332-A1336 VanDerWaalsContact O-N 3.14Å; H1333-A1336 PolarHBondContact O-N 3.45Å; E1334-A1336 VanDerWaalsContact C-N 3.35Å
1337T63Low63.8Low65 Ų6556.7 Ų56.740%0.39931%0.306SS..Hα-helixtrans-98.3-15.6-176.457.40000115.6H1333 S1339H1333-T1337 VanDerWaalsContact CE1-CG2 3.42Å; H1333-T1337 WeakPolarHBondContact CE1-CG2 3.45Å; H1333-T1337 VanDerWaalsContact ND1-CG2 3.34Å; H1333-T1337 WeakPolarHBondContact ND1-CG2 3.42Å; H1333-T1337 WeakPolarHBondContact O-CG2 3.32Å; H1333-T1337 PolarHBondContact O-N 3.5Å; H1333-T1337 PolarHBondContact O-OG1 3.38Å; T1337-S1339 PolarHBondContact O-N 2.82Å
1338L59Low63.7Low60 Ų6056.6 Ų56.631%0.31431%0.305SS..  trans5324.8173.8-69.2164.8000115.5E1334 I1344 L1376E1334-L1338 PolarHBondContact O-N 3.15Å; L1338-I1344 HydrophobicContact CD2-CD1 4.49Å; L1338-L1376 HydrophobicContact CD2-CD2 4.47Å
1339S57.2Low63.6Low89 Ų8957 Ų5762%0.62231%0.31SS*.  trans-84.4-24.6-164.269.60000116.1T1337T1337-S1339 PolarHBondContact O-N 2.82Å
1340N60.6Low63.4Low62 Ų6254.2 Ų54.233%0.33229%0.29SS..  trans-137.6105.6179.5-159.9-23.7000114.8R1342 I1343 I1344N1340-R1342 PolarHBondContact O-N 3.04Å; N1340-I1343 HydrophobicContact CB-CD1 4.18Å; N1340-I1343 PolarHBondContact O-N 3Å; N1340-I1344 WeakPolarHBondContact O-CG1 3.46Å; N1340-I1344 PolarHBondContact O-N 3.24Å
1341P58.3Low63.4Low65 Ų6553.6 Ų53.642%0.42229%0.286SS..Hα-helixtrans-69-23.8-168.824.8-33.5000115.3N1345P1341-N1345 WeakPolarHBondContact O-CB 3.38Å; P1341-N1345 VanDerWaalsContact O-CG 3.24Å; P1341-N1345 PolarHBondContact O-N 3.48Å; P1341-N1345 VanDerWaalsContact O-N 3.12Å
1342R59.8Low63.4Low192 Ų19257.4 Ų57.473%0.72530%0.303SS*.Hα-helixtrans-73.1-32.9179.8-70.7-176.2178.7177.80.8112.7N1340N1340-R1342 PolarHBondContact O-N 3.04Å
1343I60.5Low63.2Low19 Ų1958.2 Ų58.210%0.09730%0.304CS..Hα-helixtrans-76.4-47.2179.6-64.6176.2000108.7P1288 V1291 N1340 N1345 R1346 F1347P1288-I1343 HydrophobicContact CB-CD1 4.37Å; P1288-I1343 HydrophobicContact CB-CG1 4.22Å; V1291-I1343 HydrophobicContact CG1-CG2 4.11Å; N1340-I1343 HydrophobicContact CB-CD1 4.18Å; N1340-I1343 PolarHBondContact O-N 3Å; I1343-N1345 PolarHBondContact O-N 2.9Å; I1343-R1346 PolarHBondContact O-N 2.98Å; I1343-F1347 HydrophobicContact CG2-CD2 3.52Å; I1343-F1347 HydrophobicContact CG2-CE2 3.29Å; I1343-F1347 VanDerWaalsContact O-CD2 3.26Å; I1343-F1347 WeakPolarHBondContact O-CD2 3.29Å; I1343-F1347 PolarHBondContact O-N 3.37Å; I1343-F1347 VanDerWaalsContact O-N 3.1Å
1344I63.4Low62.9Low10 Ų1053 Ų535%0.05128%0.28CS..Hα-helixtrans-56.9-44.4176-66.3169.1000112L1338 N1340 R1346 F1347 I1348 L1394L1338-I1344 HydrophobicContact CD2-CD1 4.49Å; N1340-I1344 WeakPolarHBondContact O-CG1 3.46Å; N1340-I1344 PolarHBondContact O-N 3.24Å; I1344-R1346 VanDerWaalsContact C-N 3.29Å; I1344-R1346 PolarHBondContact O-N 2.85Å; I1344-F1347 PolarHBondContact O-N 3.15Å; I1344-I1348 HydrophobicContact CG2-CD1 3.47Å; I1344-I1348 VanDerWaalsContact CG2-CD1 3.47Å; I1344-I1348 HydrophobicContact CG2-CG1 3.98Å; I1344-I1348 WeakPolarHBondContact O-CB 3.36Å; I1344-I1348 WeakPolarHBondContact O-CG1 3.29Å; I1344-I1348 PolarHBondContact O-N 3.41Å; I1344-L1394 HydrophobicContact CG2-CD2 3.82Å
1345N63.1Low62.8Low61 Ų6151.2 Ų51.233%0.32627%0.273SS..Hα-helixtrans-59-37.3179.9-79.2-6.9000113.5P1341 I1343 S1349 L1394 W1397P1341-N1345 WeakPolarHBondContact O-CB 3.38Å; P1341-N1345 VanDerWaalsContact O-CG 3.24Å; P1341-N1345 PolarHBondContact O-N 3.48Å; P1341-N1345 VanDerWaalsContact O-N 3.12Å; I1343-N1345 PolarHBondContact O-N 2.9Å; N1345-S1349 WeakPolarHBondContact O-CB 3.42Å; N1345-S1349 PolarHBondContact O-N 3.07Å; N1345-L1394 VanDerWaalsContact OD1-CD2 3.29Å; N1345-L1394 WeakPolarHBondContact OD1-CD2 3.19Å; N1345-W1397 HydrophobicContact CB-CZ3 4.19Å
1346R61.4Low62.7Low113 Ų11354.5 Ų54.543%0.42630%0.298SS..Hα-helixtrans-77.4-35.2177.7-69.7-128.9-178.7-144.4-3.2111.8V1295 I1343 I1344 S1349 L1350V1295-R1346 HydrophobicContact CB-CB 4.48Å; V1295-R1346 HydrophobicContact CG1-CB 3.98Å; V1295-R1346 WeakPolarHBondContact CG1-O 3.24Å; I1343-R1346 PolarHBondContact O-N 2.98Å; I1344-R1346 VanDerWaalsContact C-N 3.29Å; I1344-R1346 PolarHBondContact O-N 2.85Å; R1346-S1349 WeakPolarHBondContact O-CB 3.47Å; R1346-S1349 PolarHBondContact O-N 2.75Å; R1346-L1350 PolarHBondContact O-N 3.05Å
1347F67.8Low62.5Low8 Ų854.3 Ų54.34%0.03529%0.29CS..Hα-helixtrans-68-38.8173.2-78.5-58.6000113.1L1283 V1291 V1295 L1331 I1343 I1344 S1349 L1350 L1351L1283-F1347 HydrophobicContact CD2-CZ 4.46Å; V1291-F1347 HydrophobicContact CG1-CE2 3.98Å; V1291-F1347 HydrophobicContact CG1-CZ 3.95Å; V1295-F1347 HydrophobicContact CG2-CD1 3.78Å; V1295-F1347 HydrophobicContact CG2-CE1 3.51Å; V1295-F1347 HydrophobicContact CG2-CG 4.44Å; V1295-F1347 HydrophobicContact CG2-CZ 3.93Å; L1331-F1347 HydrophobicContact CD2-CB 3.68Å; L1331-F1347 HydrophobicContact CD2-CD1 3.31Å; L1331-F1347 HydrophobicContact CD2-CD2 4.35Å; L1331-F1347 HydrophobicContact CD2-CE1 3.93Å; L1331-F1347 HydrophobicContact CD2-CG 3.56Å; L1331-F1347 HydrophobicContact CG-CD1 4.3Å; I1343-F1347 HydrophobicContact CG2-CD2 3.52Å; I1343-F1347 HydrophobicContact CG2-CE2 3.29Å; I1343-F1347 VanDerWaalsContact O-CD2 3.26Å; I1343-F1347 WeakPolarHBondContact O-CD2 3.29Å; I1343-F1347 PolarHBondContact O-N 3.37Å; I1343-F1347 VanDerWaalsContact O-N 3.1Å; I1344-F1347 PolarHBondContact O-N 3.15Å; F1347-S1349 VanDerWaalsContact C-N 3.33Å; F1347-L1350 WeakPolarHBondContact O-CB 3.42Å; F1347-L1350 PolarHBondContact O-N 3.44Å; F1347-L1351 WeakPolarHBondContact O-CG 3.25Å; F1347-L1351 PolarHBondContact O-N 2.91Å
1348I65.2Low62.1Low14 Ų1454.3 Ų54.37%0.07230%0.303CS..Hα-helixtrans-65.7-38.2171.9-69.3178.6000110.3I1344 L1350 L1351 K1352 L1394 W1397 I1401I1344-I1348 HydrophobicContact CG2-CD1 3.47Å; I1344-I1348 VanDerWaalsContact CG2-CD1 3.47Å; I1344-I1348 HydrophobicContact CG2-CG1 3.98Å; I1344-I1348 WeakPolarHBondContact O-CB 3.36Å; I1344-I1348 WeakPolarHBondContact O-CG1 3.29Å; I1344-I1348 PolarHBondContact O-N 3.41Å; I1348-L1350 VanDerWaalsContact C-N 3.33Å; I1348-L1350 PolarHBondContact O-N 2.93Å; I1348-L1351 PolarHBondContact O-N 2.83Å; I1348-K1352 WeakPolarHBondContact O-CB 3.46Å; I1348-K1352 PolarHBondContact O-N 3.46Å; I1348-L1394 HydrophobicContact CD1-CD2 3.68Å; I1348-W1397 HydrophobicContact CB-CE3 4.48Å; I1348-W1397 HydrophobicContact CG2-CB 3.8Å; I1348-W1397 HydrophobicContact CG2-CE3 3.9Å; I1348-I1401 HydrophobicContact CG2-CD1 3.53Å
1349S66.1Low62Low50 Ų5051.5 Ų51.535%0.3529%0.289SS..Hα-helixtrans-63.6-36.6172.1-176.70000112.8N1345 R1346 F1347 N1353N1345-S1349 WeakPolarHBondContact O-CB 3.42Å; N1345-S1349 PolarHBondContact O-N 3.07Å; R1346-S1349 WeakPolarHBondContact O-CB 3.47Å; R1346-S1349 PolarHBondContact O-N 2.75Å; F1347-S1349 VanDerWaalsContact C-N 3.33Å; S1349-N1353 VanDerWaalsContact O-CG 3.24Å; S1349-N1353 PolarHBondContact O-N 3.06Å; S1349-N1353 VanDerWaalsContact O-N 3.1Å; S1349-N1353 PolarHBondContact O-ND2 2.71Å
1350L68Low62.1Low6 Ų649.9 Ų49.93%0.03128%0.277CS..Hα-helixtrans-62.8-50171.6-176.789.9000109.9V1295 L1298 T1299 L1327 R1346 F1347 I1348 K1352 N1353 V1354V1295-L1350 HydrophobicContact CG1-CB 4.13Å; V1295-L1350 HydrophobicContact CG1-CD1 4.37Å; L1298-L1350 HydrophobicContact CB-CD1 3.75Å; T1299-L1350 VanDerWaalsContact OG1-CD1 3.31Å; T1299-L1350 WeakPolarHBondContact OG1-CD1 3.36Å; L1327-L1350 HydrophobicContact CD2-CD2 4.32Å; R1346-L1350 PolarHBondContact O-N 3.05Å; F1347-L1350 WeakPolarHBondContact O-CB 3.42Å; F1347-L1350 PolarHBondContact O-N 3.44Å; I1348-L1350 VanDerWaalsContact C-N 3.33Å; I1348-L1350 PolarHBondContact O-N 2.93Å; L1350-K1352 VanDerWaalsContact C-N 3.31Å; L1350-K1352 PolarHBondContact O-N 3.46Å; L1350-N1353 PolarHBondContact O-N 3.18Å; L1350-N1353 VanDerWaalsContact O-N 3.16Å; L1350-V1354 HydrophobicContact CG-CG2 4.41Å; L1350-V1354 WeakPolarHBondContact O-CB 3.46Å; L1350-V1354 VanDerWaalsContact O-CG2 3.22Å; L1350-V1354 WeakPolarHBondContact O-CG2 3.29Å; L1350-V1354 PolarHBondContact O-N 3.32Å
1351L66.7Low62.1Low11 Ų1147.6 Ų47.66%0.05827%0.265CS..Hα-helixtrans-59.4-39.5178-73.2170.4000112.5I1335 F1347 I1348 V1354 S1355 F1365 I1401I1335-L1351 HydrophobicContact CD1-CD1 4.03Å; F1347-L1351 WeakPolarHBondContact O-CG 3.25Å; F1347-L1351 PolarHBondContact O-N 2.91Å; I1348-L1351 PolarHBondContact O-N 2.83Å; L1351-V1354 PolarHBondContact O-N 3.49Å; L1351-S1355 VanDerWaalsContact O-CB 3.26Å; L1351-S1355 WeakPolarHBondContact O-CB 3.09Å; L1351-S1355 PolarHBondContact O-N 3.32Å; L1351-S1355 PolarHBondContact O-OG 2.98Å; L1351-F1365 HydrophobicContact CD2-CD2 4.07Å; L1351-F1365 HydrophobicContact CD2-CE2 4.41Å; L1351-F1365 HydrophobicContact CD2-CG 4.5Å; L1351-I1401 HydrophobicContact CB-CD1 4.08Å
1352K66.1Low62.2Low83 Ų8345.1 Ų45.136%0.36125%0.249SC..Hα-helixtrans-63.5-40.9175.2-176.5173.2-176.5162.20112.5I1348 L1350 S1355 S1356 D1400 I1401I1348-K1352 WeakPolarHBondContact O-CB 3.46Å; I1348-K1352 PolarHBondContact O-N 3.46Å; L1350-K1352 VanDerWaalsContact C-N 3.31Å; L1350-K1352 PolarHBondContact O-N 3.46Å; K1352-S1355 PolarHBondContact O-N 3.44Å; K1352-S1355 PolarHBondContact O-OG 2.88Å; K1352-S1355 VanDerWaalsContact O-OG 3.13Å; K1352-S1356 PolarHBondContact O-N 2.9Å; K1352-D1400 WeakPolarHBondContact CE-OD2 3.33Å; K1352-D1400 IonicContact NZ-OD2 2.67Å; K1352-D1400 PolarHBondContact NZ-OD2 3.44Å; K1352-I1401 HydrophobicContact CB-CD1 4.23Å; K1352-I1401 HydrophobicContact CB-CG1 3.97Å; K1352-I1401 HydrophobicContact CG-CG1 4.46Å
1353N63.4Low62.3Low56 Ų5640.4 Ų40.430%0.29924%0.236SC..Hα-helixtrans-70.4-39.2176.7-68.1-19.7000110.8T1299 H1302 S1349 L1350 S1355 S1356T1299-N1353 HydrophobicContact CG2-CB 4.21Å; T1299-N1353 WeakPolarHBondContact CG2-ND2 3.19Å; H1302-N1353 PolarHBondContact NE2-O 3.33Å; S1349-N1353 VanDerWaalsContact O-CG 3.24Å; S1349-N1353 PolarHBondContact O-N 3.06Å; S1349-N1353 VanDerWaalsContact O-N 3.1Å; S1349-N1353 PolarHBondContact O-ND2 2.71Å; L1350-N1353 PolarHBondContact O-N 3.18Å; L1350-N1353 VanDerWaalsContact O-N 3.16Å; N1353-S1355 VanDerWaalsContact C-N 3.33Å; N1353-S1355 PolarHBondContact O-N 2.83Å; N1353-S1356 PolarHBondContact O-N 2.7Å; N1353-S1356 PolarHBondContact O-OG 2.92Å
1354V63.8Low62.6Low9 Ų943.7 Ų43.76%0.05526%0.258CS..Hα-helixtrans-67.7-29.7175.7175.70000112.9H1302 L1350 L1351 T1357 S1359 T1362H1302-V1354 HydrophobicContact CB-CG2 4.42Å; H1302-V1354 WeakPolarHBondContact NE2-CA 3.4Å; L1350-V1354 HydrophobicContact CG-CG2 4.41Å; L1350-V1354 WeakPolarHBondContact O-CB 3.46Å; L1350-V1354 VanDerWaalsContact O-CG2 3.22Å; L1350-V1354 WeakPolarHBondContact O-CG2 3.29Å; L1350-V1354 PolarHBondContact O-N 3.32Å; L1351-V1354 PolarHBondContact O-N 3.49Å; V1354-T1357 PolarHBondContact O-OG1 2.69Å; V1354-S1359 WeakPolarHBondContact CG1-OG 3.21Å; V1354-T1362 HydrophobicContact CG1-CG2 4.24Å
1355S61.1Low62.7Low11 Ų1143.6 Ų43.68%0.07726%0.257CS..Hα-helixtrans-80.7-21.7179.779.40000113.7L1351 K1352 N1353 T1357 S1404L1351-S1355 VanDerWaalsContact O-CB 3.26Å; L1351-S1355 WeakPolarHBondContact O-CB 3.09Å; L1351-S1355 PolarHBondContact O-N 3.32Å; L1351-S1355 PolarHBondContact O-OG 2.98Å; K1352-S1355 PolarHBondContact O-N 3.44Å; K1352-S1355 PolarHBondContact O-OG 2.88Å; K1352-S1355 VanDerWaalsContact O-OG 3.13Å; N1353-S1355 VanDerWaalsContact C-N 3.33Å; N1353-S1355 PolarHBondContact O-N 2.83Å; S1355-T1357 PolarHBondContact O-N 2.83Å; S1355-S1404 WeakPolarHBondContact CB-OG 3.47Å; S1355-S1404 WeakPolarHBondContact O-CB 3.38Å; S1355-S1404 PolarHBondContact OG-OG 3.17Å
1356S62.1Low62.8Low93 Ų9341 Ų4165%0.6524%0.244SC*.THydrogen-bonded Turntrans-68.3-12.6176.571.30000114.7K1352 N1353K1352-S1356 PolarHBondContact O-N 2.9Å; N1353-S1356 PolarHBondContact O-N 2.7Å; N1353-S1356 PolarHBondContact O-OG 2.92Å
1357T55.2Low63.3Low64 Ų6441.2 Ų41.239%0.39325%0.25SC..THydrogen-bonded Turntrans-115.20.2-172.752.70000114.7H1302 A1306 V1354 S1355H1302-T1357 PolarHBondContact CE1-OG1 2.84Å; H1302-T1357 PolarHBondContact NE2-OG1 2.78Å; A1306-T1357 HydrophobicContact CB-CG2 3.83Å; V1354-T1357 PolarHBondContact O-OG1 2.69Å; S1355-T1357 PolarHBondContact O-N 2.83Å
1358G55.5Low63.3Low65 Ų6542.9 Ų42.967%0.6726%0.261SS*.THydrogen-bonded Turntrans78.516.5172.200000117
1359S57.3Low63.6Low1 Ų142.6 Ų42.61%0.00726%0.26CS..  trans-72.8144.4-175.774.80000114.7V1354 L1361 T1362V1354-S1359 WeakPolarHBondContact CG1-OG 3.21Å; S1359-L1361 PolarHBondContact O-N 3.09Å; S1359-T1362 PolarHBondContact O-N 3.39Å; S1359-T1362 PolarHBondContact O-OG1 2.85Å
1360S59.3Low63.9Low54 Ų5440.2 Ų40.238%0.37824%0.243SC..THydrogen-bonded Turntrans-57.4-12.7179.754.50000116.2S1313 T1362S1313-S1360 WeakPolarHBondContact CB-OG 3.48Å; S1313-S1360 PolarHBondContact OG-OG 3Å; S1360-T1362 VanDerWaalsContact C-N 3.34Å; S1360-T1362 PolarHBondContact O-N 2.99Å
1361L60.7Low64.2Low15 Ų1542.5 Ų42.58%0.07926%0.255CS..THydrogen-bonded Turntrans-65.9-32176.9-101.9158.1000113F1312 L1316 S1359 I1363 T1364 F1365F1312-L1361 HydrophobicContact CD1-CD1 3.84Å; F1312-L1361 HydrophobicContact CE1-CD1 4.49Å; L1316-L1361 HydrophobicContact CD1-CD1 4.11Å; S1359-L1361 PolarHBondContact O-N 3.09Å; L1361-I1363 VanDerWaalsContact C-N 3.33Å; L1361-I1363 PolarHBondContact O-N 3.02Å; L1361-T1364 PolarHBondContact O-N 3.08Å; L1361-T1364 PolarHBondContact O-OG1 3.49Å; L1361-F1365 HydrophobicContact CD2-CE2 4.03Å; L1361-F1365 WeakPolarHBondContact O-CD2 3.2Å
1362T60Low64.3Low13 Ų1342.4 Ų42.48%0.0826%0.256CS..THydrogen-bonded Turntrans-68.3-31.4-179.3500000113V1354 S1359 S1360 T1364 F1365 A1366V1354-T1362 HydrophobicContact CG1-CG2 4.24Å; S1359-T1362 PolarHBondContact O-N 3.39Å; S1359-T1362 PolarHBondContact O-OG1 2.85Å; S1360-T1362 VanDerWaalsContact C-N 3.34Å; S1360-T1362 PolarHBondContact O-N 2.99Å; T1362-T1364 VanDerWaalsContact C-N 3.33Å; T1362-T1364 PolarHBondContact O-N 3.46Å; T1362-F1365 PolarHBondContact O-N 2.95Å; T1362-F1365 VanDerWaalsContact O-N 3.16Å; T1362-A1366 PolarHBondContact O-N 3.42Å
1363I61.9Low64.6Low92 Ų9238.5 Ų38.547%0.47224%0.239SC..G310 helixtrans-64.1-39.1179.2-58.8174000110.8L1361 F1365 A1366L1361-I1363 VanDerWaalsContact C-N 3.33Å; L1361-I1363 PolarHBondContact O-N 3.02Å; I1363-F1365 PolarHBondContact O-N 3.02Å; I1363-A1366 WeakPolarHBondContact O-CB 3.48Å; I1363-A1366 PolarHBondContact O-N 3.39Å
1364T66.3Low65.2Low88 Ų8836.6 Ų36.654%0.5423%0.229SC..G310 helixtrans-62.9-22.2176.510.80000114.1L1361 T1362L1361-T1364 PolarHBondContact O-N 3.08Å; L1361-T1364 PolarHBondContact O-OG1 3.49Å; T1362-T1364 VanDerWaalsContact C-N 3.33Å; T1362-T1364 PolarHBondContact O-N 3.46Å
1365F65.2Low65.5Low9 Ų941 Ų414%0.03925%0.249CC..G310 helixtrans-102.2-2179.5-62.6-71.5000113.7V1328 L1331 L1351 L1361 T1362 I1363 E1367 P1368 L1369V1328-F1365 HydrophobicContact CB-CZ 4.32Å; V1328-F1365 HydrophobicContact CG1-CE1 4.31Å; V1328-F1365 HydrophobicContact CG1-CZ 4.45Å; V1328-F1365 HydrophobicContact CG2-CE1 4.45Å; V1328-F1365 HydrophobicContact CG2-CZ 3.8Å; L1331-F1365 HydrophobicContact CB-CE1 3.9Å; L1331-F1365 HydrophobicContact CB-CZ 4.32Å; L1331-F1365 HydrophobicContact CD1-CE1 4.19Å; L1331-F1365 HydrophobicContact CD1-CE2 4.48Å; L1331-F1365 HydrophobicContact CD1-CZ 3.81Å; L1351-F1365 HydrophobicContact CD2-CD2 4.07Å; L1351-F1365 HydrophobicContact CD2-CE2 4.41Å; L1351-F1365 HydrophobicContact CD2-CG 4.5Å; L1361-F1365 HydrophobicContact CD2-CE2 4.03Å; L1361-F1365 WeakPolarHBondContact O-CD2 3.2Å; T1362-F1365 PolarHBondContact O-N 2.95Å; T1362-F1365 VanDerWaalsContact O-N 3.16Å; I1363-F1365 PolarHBondContact O-N 3.02Å; F1365-E1367 PolarHBondContact O-N 3.05Å; F1365-P1368 WeakPolarHBondContact O-CD 3.28Å; F1365-L1369 WeakPolarHBondContact O-CB 3.31Å; F1365-L1369 PolarHBondContact O-N 2.98Å
1366A66.5Low65.9Low6 Ų641 Ų415%0.0525%0.247CC..Hα-helixtrans-61.2-42-174.700000113T1362 I1363 V1370 L1409T1362-A1366 PolarHBondContact O-N 3.42Å; I1363-A1366 WeakPolarHBondContact O-CB 3.48Å; I1363-A1366 PolarHBondContact O-N 3.39Å; A1366-V1370 WeakPolarHBondContact O-CB 3.34Å; A1366-V1370 VanDerWaalsContact O-CG2 3.23Å; A1366-V1370 WeakPolarHBondContact O-CG2 3.35Å; A1366-V1370 PolarHBondContact O-N 3.01Å; A1366-L1409 HydrophobicContact CB-CD2 3.97Å
1367E70.1Confident66.3Low118 Ų11837 Ų3755%0.55122%0.22SC*.Hα-helixtrans-72.6-47.6179.8178.5172.2-161.900113.5F1365 L1369 V1370 N1371 L1413F1365-E1367 PolarHBondContact O-N 3.05Å; E1367-L1369 VanDerWaalsContact C-N 3.29Å; E1367-L1369 PolarHBondContact O-N 3.13Å; E1367-V1370 PolarHBondContact O-N 3.43Å; E1367-N1371 WeakPolarHBondContact O-CB 3.39Å; E1367-N1371 VanDerWaalsContact O-CG 3.29Å; E1367-N1371 PolarHBondContact O-N 3.2Å; E1367-N1371 PolarHBondContact O-ND2 2.99Å; E1367-L1413 HydrophobicContact CB-CD1 4.34Å; E1367-L1413 HydrophobicContact CB-CD2 4.21Å; E1367-L1413 HydrophobicContact CG-CD2 4.28Å
1368P69.9Low67Low42 Ų4242 Ų4227%0.27323%0.232SC..Hα-helixtrans-56.8-39.6171.9-25.431.9000113.4F1365 N1371 A1372F1365-P1368 WeakPolarHBondContact O-CD 3.28Å; P1368-N1371 PolarHBondContact O-N 3.15Å; P1368-A1372 WeakPolarHBondContact O-CB 3.41Å; P1368-A1372 PolarHBondContact O-N 2.98Å
1369L71.4Confident67.4Low9 Ų943.8 Ų43.85%0.04723%0.225CC..Hα-helixtrans-70.3-42.4-178.6-164.1149.1000111.5F1365 E1367 A1372 M1373 C1398 I1401 T1402 M1405F1365-L1369 WeakPolarHBondContact O-CB 3.31Å; F1365-L1369 PolarHBondContact O-N 2.98Å; E1367-L1369 VanDerWaalsContact C-N 3.29Å; E1367-L1369 PolarHBondContact O-N 3.13Å; L1369-A1372 PolarHBondContact O-N 2.7Å; L1369-M1373 HydrophobicContact CD2-CG 4.24Å; L1369-M1373 HydrophobicContact CD2-SD 3.51Å; L1369-M1373 VanDerWaalsContact CD2-SD 3.51Å; L1369-M1373 WeakPolarHBondContact O-CB 3.34Å; L1369-M1373 WeakPolarHBondContact O-CG 3.48Å; L1369-M1373 PolarHBondContact O-N 3.15Å; L1369-C1398 HydrophobicContact CD2-CB 4.38Å; L1369-I1401 HydrophobicContact CD1-CG2 4.17Å; L1369-T1402 HydrophobicContact CD2-CG2 3.53Å; L1369-M1405 HydrophobicContact CD1-CE 4.33Å; L1369-M1405 HydrophobicContact CD2-CE 4.19Å
1370V72.1Confident67.6Low0 Ų044.2 Ų44.20%023%0.228CC..Hα-helixtrans-64.5-39.4173.9171.70000111.6A1366 E1367 M1373 E1374 L1413A1366-V1370 WeakPolarHBondContact O-CB 3.34Å; A1366-V1370 VanDerWaalsContact O-CG2 3.23Å; A1366-V1370 WeakPolarHBondContact O-CG2 3.35Å; A1366-V1370 PolarHBondContact O-N 3.01Å; E1367-V1370 PolarHBondContact O-N 3.43Å; V1370-M1373 PolarHBondContact O-N 3.31Å; V1370-E1374 PolarHBondContact O-N 3.41Å; V1370-L1413 HydrophobicContact CB-CD2 4.29Å; V1370-L1413 HydrophobicContact CG1-CD2 4.3Å
1371N74.2Confident67.4Low53 Ų5345.5 Ų45.528%0.28324%0.242SC..Hα-helixtrans-68.8-38.2176.9-70-26.2000112.5E1367 P1368 E1374 Q1375 K1416E1367-N1371 WeakPolarHBondContact O-CB 3.39Å; E1367-N1371 VanDerWaalsContact O-CG 3.29Å; E1367-N1371 PolarHBondContact O-N 3.2Å; E1367-N1371 PolarHBondContact O-ND2 2.99Å; P1368-N1371 PolarHBondContact O-N 3.15Å; N1371-E1374 PolarHBondContact O-N 3.5Å; N1371-Q1375 PolarHBondContact O-N 3.44Å; N1371-Q1375 VanDerWaalsContact O-N 3.08Å; N1371-K1416 PolarHBondContact OD1-NZ 3.41Å
1372A69.3Low67.1Low10 Ų1051.4 Ų51.48%0.08327%0.274CS..Hα-helixtrans-66.3-39.3173.200000111.7I1335 P1368 L1369 Q1375 L1376I1335-A1372 HydrophobicContact CG2-CB 3.87Å; P1368-A1372 WeakPolarHBondContact O-CB 3.41Å; P1368-A1372 PolarHBondContact O-N 2.98Å; L1369-A1372 PolarHBondContact O-N 2.7Å; A1372-Q1375 PolarHBondContact O-N 3.44Å; A1372-L1376 WeakPolarHBondContact O-CB 3.36Å; A1372-L1376 WeakPolarHBondContact O-CG 3.44Å; A1372-L1376 PolarHBondContact O-N 3.28Å
1373M71Confident66.8Low0 Ų052.7 Ų52.70%028%0.279CS..Hα-helixtrans-63.4-39.2172.6-72.417281.500112.3L1369 V1370 L1376 A1377 C1398 L1399 T1402 L1417 V1421L1369-M1373 HydrophobicContact CD2-CG 4.24Å; L1369-M1373 HydrophobicContact CD2-SD 3.51Å; L1369-M1373 VanDerWaalsContact CD2-SD 3.51Å; L1369-M1373 WeakPolarHBondContact O-CB 3.34Å; L1369-M1373 WeakPolarHBondContact O-CG 3.48Å; L1369-M1373 PolarHBondContact O-N 3.15Å; V1370-M1373 PolarHBondContact O-N 3.31Å; M1373-L1376 PolarHBondContact O-N 2.96Å; M1373-A1377 WeakPolarHBondContact O-CB 3.37Å; M1373-A1377 PolarHBondContact O-N 3.17Å; M1373-C1398 HydrophobicContact CE-CB 4.32Å; M1373-C1398 HydrophobicContact CG-CB 3.68Å; M1373-C1398 HydrophobicContact SD-CB 3.98Å; M1373-L1399 HydrophobicContact CE-CB 4.31Å; M1373-L1399 HydrophobicContact CE-CD2 3.31Å; M1373-L1399 HydrophobicContact CE-CG 3.56Å; M1373-T1402 HydrophobicContact CE-CG2 4.26Å; M1373-T1402 HydrophobicContact SD-CG2 3.7Å; M1373-L1417 HydrophobicContact CE-CD1 4.09Å; M1373-L1417 HydrophobicContact SD-CD1 4.37Å; M1373-V1421 HydrophobicContact CB-CG1 4.14Å; M1373-V1421 HydrophobicContact CB-CG2 4.29Å; M1373-V1421 HydrophobicContact CE-CG1 4.22Å
1374E76.1Confident66.5Low16 Ų1654.9 Ų54.98%0.07530%0.296CS..Hα-helixtrans-61.7-42.5174.3-176.6175.6-167.200111.6V1370 N1371 R1378 K1416 N1420 V1421V1370-E1374 PolarHBondContact O-N 3.41Å; N1371-E1374 PolarHBondContact O-N 3.5Å; E1374-R1378 WeakPolarHBondContact O-CG 3.4Å; E1374-R1378 PolarHBondContact O-N 3.13Å; E1374-R1378 VanDerWaalsContact O-N 3.09Å; E1374-R1378 IonicContact OE1-CZ 2.64Å; E1374-R1378 IonicContact OE1-NE 3.85Å; E1374-R1378 IonicContact OE1-NH2 3.22Å; E1374-R1378 PolarHBondContact OE1-NH2 3.41Å; E1374-K1416 WeakPolarHBondContact OE2-CE 3.38Å; E1374-K1416 IonicContact OE2-NZ 2.75Å; E1374-K1416 PolarHBondContact OE2-NZ 2.87Å; E1374-K1416 VanDerWaalsContact OE2-NZ 3.12Å; E1374-N1420 HydrophobicContact CG-CB 4.18Å; E1374-N1420 PolarHBondContact OE1-ND2 2.85Å; E1374-V1421 HydrophobicContact CB-CG2 4.09Å
1375Q71.2Confident66.2Low103 Ų10353.8 Ų53.848%0.48129%0.289SS..Hα-helixtrans-66.5-44174.3-72.6-172.7-4.800112.6N1371 A1372 A1377 R1378 L1379N1371-Q1375 PolarHBondContact O-N 3.44Å; N1371-Q1375 VanDerWaalsContact O-N 3.08Å; A1372-Q1375 PolarHBondContact O-N 3.44Å; Q1375-A1377 VanDerWaalsContact C-N 3.35Å; Q1375-A1377 PolarHBondContact O-N 3.34Å; Q1375-R1378 PolarHBondContact O-N 2.93Å; Q1375-L1379 WeakPolarHBondContact O-CB 3.36Å; Q1375-L1379 VanDerWaalsContact O-CG 3.29Å; Q1375-L1379 WeakPolarHBondContact O-CG 3.31Å; Q1375-L1379 PolarHBondContact O-N 3.27Å
1376L69.2Low65.9Low9 Ų957.9 Ų57.95%0.04732%0.317CS..Hα-helixtrans-64.2-37.6176.7-74.6170.5000112.3L1338 A1372 M1373 L1379 N1380 L1395L1338-L1376 HydrophobicContact CD2-CD2 4.47Å; A1372-L1376 WeakPolarHBondContact O-CB 3.36Å; A1372-L1376 WeakPolarHBondContact O-CG 3.44Å; A1372-L1376 PolarHBondContact O-N 3.28Å; M1373-L1376 PolarHBondContact O-N 2.96Å; L1376-L1379 PolarHBondContact O-N 2.93Å; L1376-N1380 WeakPolarHBondContact O-CB 3.38Å; L1376-N1380 VanDerWaalsContact O-CG 3.25Å; L1376-N1380 PolarHBondContact O-N 3.35Å; L1376-N1380 PolarHBondContact O-ND2 2.86Å; L1376-L1395 HydrophobicContact CB-CD1 3.57Å
1377A69.7Low65.5Low9 Ų963.1 Ų63.17%0.07434%0.34CS..Hα-helixtrans-66.2-39.5175.900000111.8M1373 Q1375 L1395 V1421 L1425M1373-A1377 WeakPolarHBondContact O-CB 3.37Å; M1373-A1377 PolarHBondContact O-N 3.17Å; Q1375-A1377 VanDerWaalsContact C-N 3.35Å; Q1375-A1377 PolarHBondContact O-N 3.34Å; A1377-L1395 HydrophobicContact CB-CD1 4.48Å; A1377-V1421 HydrophobicContact CB-CG1 4.28Å; A1377-L1425 HydrophobicContact CB-CD2 4.18Å; A1377-L1425 HydrophobicContact CB-CG 4.18Å
1378R70.1Confident65.1Low171 Ų17157.8 Ų57.865%0.64532%0.317SS*.Hα-helixtrans-69.3-35.1174.7-70.9179.2-170-170.35113.2E1374 Q1375 N1380E1374-R1378 WeakPolarHBondContact O-CG 3.4Å; E1374-R1378 PolarHBondContact O-N 3.13Å; E1374-R1378 VanDerWaalsContact O-N 3.09Å; E1374-R1378 IonicContact OE1-CZ 2.64Å; E1374-R1378 IonicContact OE1-NE 3.85Å; E1374-R1378 IonicContact OE1-NH2 3.22Å; E1374-R1378 PolarHBondContact OE1-NH2 3.41Å; Q1375-R1378 PolarHBondContact O-N 2.93Å; R1378-N1380 VanDerWaalsContact C-N 3.34Å
1379L63.2Low64.8Low101 Ų10162.5 Ų62.553%0.52933%0.334SS..Hα-helixtrans-79.5-10.3-179.1-71169.9000114.2Q1375 L1376 A1381Q1375-L1379 WeakPolarHBondContact O-CB 3.36Å; Q1375-L1379 VanDerWaalsContact O-CG 3.29Å; Q1375-L1379 WeakPolarHBondContact O-CG 3.31Å; Q1375-L1379 PolarHBondContact O-N 3.27Å; L1376-L1379 PolarHBondContact O-N 2.93Å; L1379-A1381 VanDerWaalsContact C-N 3.31Å; L1379-A1381 PolarHBondContact O-N 3.3Å
1380N61.7Low64.4Low10 Ų1069.8 Ų69.85%0.05336%0.36CS..THydrogen-bonded Turntrans-85.818.2-175.4-90-14.1000115.2L1376 R1378 N1382 R1391L1376-N1380 WeakPolarHBondContact O-CB 3.38Å; L1376-N1380 VanDerWaalsContact O-CG 3.25Å; L1376-N1380 PolarHBondContact O-N 3.35Å; L1376-N1380 PolarHBondContact O-ND2 2.86Å; R1378-N1380 VanDerWaalsContact C-N 3.34Å; N1380-N1382 PolarHBondContact O-N 3.14Å; N1380-R1391 WeakPolarHBondContact OD1-CB 3.36Å
1381A55.5Low64.1Low82 Ų8273.9 Ų73.968%0.67838%0.376SS*.THydrogen-bonded Turntrans-71-17.1-176.800000115.6L1379L1379-A1381 VanDerWaalsContact C-N 3.31Å; L1379-A1381 PolarHBondContact O-N 3.3Å
1382N53.7Low63.7Low139 Ų13971.7 Ų71.774%0.74336%0.364SS*.  trans-127.398.4-179.6-73.8-20.3000111.9N1380N1380-N1382 PolarHBondContact O-N 3.14Å
1383Q54.4Low63.7Low40 Ų4075.9 Ų75.919%0.18738%0.382CS..THydrogen-bonded Turntrans-91.61.4-167.2-61.1-169.28.800116.5T1385 M1429Q1383-T1385 PolarHBondContact O-N 3.04Å; Q1383-M1429 PolarHBondContact NE2-SD 2.75Å; Q1383-M1429 VanDerWaalsContact NE2-SD 3.35Å
1384T56Low63.5Low137 Ų13776.9 Ų76.984%0.8439%0.388SS*.THydrogen-bonded Turntrans-80.1-10-174.752.50000114.9
1385T59.7Low63.3Low65 Ų6576.1 Ų76.140%0.39938%0.384SS..SBendtrans-94.5148.5-178.562.10000112.7Q1383 E1387 G1388 K1389Q1383-T1385 PolarHBondContact O-N 3.04Å; T1385-E1387 PolarHBondContact O-N 3.13Å; T1385-E1387 VanDerWaalsContact O-N 3.11Å; T1385-G1388 PolarHBondContact O-N 3.43Å; T1385-G1388 PolarHBondContact OG1-N 2.92Å; T1385-K1389 PolarHBondContact O-N 3.47Å
1386P60.1Low63.3Low95 Ų9572.6 Ų72.662%0.61737%0.368SS*.Hα-helixtrans-59.8-21.9177.323.6-33.6000113.4R1390P1386-R1390 PolarHBondContact O-N 3.12Å
1387E56.8Low63.3Low116 Ų11676.9 Ų76.954%0.54238%0.383SS..Hα-helixtrans-71.6-37.7171.4-64.5-171.3168.300112.6T1385 K1389 R1390 R1391T1385-E1387 PolarHBondContact O-N 3.13Å; T1385-E1387 VanDerWaalsContact O-N 3.11Å; E1387-K1389 PolarHBondContact O-N 3.3Å; E1387-R1390 PolarHBondContact O-N 3.09Å; E1387-R1391 WeakPolarHBondContact O-CG 3.47Å; E1387-R1391 PolarHBondContact O-N 3.25Å; E1387-R1391 IonicContact OE2-NH2 3.36Å; E1387-R1391 PolarHBondContact OE2-NH2 3.48Å
1388G61.3Low63.4Low6 Ų676.9 Ų76.96%0.06238%0.383CS..Hα-helixtrans-61.6-40.9175.100000112.9T1385 R1390 R1391 S1392T1385-G1388 PolarHBondContact O-N 3.43Å; T1385-G1388 PolarHBondContact OG1-N 2.92Å; G1388-R1390 PolarHBondContact O-N 3.44Å; G1388-R1391 PolarHBondContact O-N 3.05Å; G1388-S1392 PolarHBondContact O-N 3.27Å
1389K64Low63.6Low142 Ų14268.8 Ų68.862%0.61735%0.353SS*.Hα-helixtrans-61.3-44.2173.6-78.1-176.1178.8176.70112.4T1385 E1387 S1392 E1393T1385-K1389 PolarHBondContact O-N 3.47Å; E1387-K1389 PolarHBondContact O-N 3.3Å; K1389-S1392 PolarHBondContact O-N 2.94Å; K1389-S1392 PolarHBondContact O-OG 2.91Å; K1389-E1393 PolarHBondContact O-N 2.72Å
1390R62.9Low63.9Low162 Ų16266.7 Ų66.761%0.61134%0.342SS*.Hα-helixtrans-66.8-38178.1-68.9178.8-173.5168.44.5112.5P1386 E1387 G1388 S1392 E1393 L1394P1386-R1390 PolarHBondContact O-N 3.12Å; E1387-R1390 PolarHBondContact O-N 3.09Å; G1388-R1390 PolarHBondContact O-N 3.44Å; R1390-S1392 VanDerWaalsContact C-N 3.32Å; R1390-E1393 PolarHBondContact O-N 3.33Å; R1390-L1394 PolarHBondContact O-N 3.07Å
1391R65.3Low64.3Low86 Ų8666.4 Ų66.433%0.32534%0.34SS..Hα-helixtrans-63.5-37.3171.9-70.4178-169.214711.5111.8N1380 E1387 G1388 L1395N1380-R1391 WeakPolarHBondContact OD1-CB 3.36Å; E1387-R1391 WeakPolarHBondContact O-CG 3.47Å; E1387-R1391 PolarHBondContact O-N 3.25Å; E1387-R1391 IonicContact OE2-NH2 3.36Å; E1387-R1391 PolarHBondContact OE2-NH2 3.48Å; G1388-R1391 PolarHBondContact O-N 3.05Å; R1391-L1395 VanDerWaalsContact O-CB 3.32Å; R1391-L1395 WeakPolarHBondContact O-CB 3.38Å; R1391-L1395 PolarHBondContact O-N 3.21Å
1392S67.2Low65Low6 Ų662.5 Ų62.54%0.04231%0.308CS..Hα-helixtrans-67.6-36.4175760000113.1G1388 K1389 R1390 L1395 M1396 N1431G1388-S1392 PolarHBondContact O-N 3.27Å; K1389-S1392 PolarHBondContact O-N 2.94Å; K1389-S1392 PolarHBondContact O-OG 2.91Å; R1390-S1392 VanDerWaalsContact C-N 3.32Å; S1392-L1395 PolarHBondContact O-N 3.17Å; S1392-M1396 WeakPolarHBondContact O-CG 3.5Å; S1392-M1396 PolarHBondContact O-N 3.48Å; S1392-N1431 PolarHBondContact OG-ND2 2.87Å
1393E68.6Low65.8Low99 Ų9958.6 Ų58.646%0.46328%0.284SS..Hα-helixtrans-66.9-44.5173.4-72.4174.2175.400112.2K1389 R1390 L1395 M1396 W1397K1389-E1393 PolarHBondContact O-N 2.72Å; R1390-E1393 PolarHBondContact O-N 3.33Å; E1393-L1395 VanDerWaalsContact C-N 3.32Å; E1393-L1395 PolarHBondContact O-N 2.97Å; E1393-M1396 HydrophobicContact CB-CE 4.32Å; E1393-M1396 HydrophobicContact CG-CE 3.93Å; E1393-M1396 WeakPolarHBondContact O-CB 2.94Å; E1393-M1396 PolarHBondContact O-N 3.19Å; E1393-W1397 PolarHBondContact O-N 3.19Å
1394L66.5Low66.3Low21 Ų2159.4 Ų59.411%0.1129%0.294CS..Hα-helixtrans-57.5-45172.4-82.2160.3000111.5I1344 N1345 I1348 R1390 W1397 C1398I1344-L1394 HydrophobicContact CG2-CD2 3.82Å; N1345-L1394 VanDerWaalsContact OD1-CD2 3.29Å; N1345-L1394 WeakPolarHBondContact OD1-CD2 3.19Å; I1348-L1394 HydrophobicContact CD1-CD2 3.68Å; R1390-L1394 PolarHBondContact O-N 3.07Å; L1394-W1397 PolarHBondContact O-N 3.26Å; L1394-C1398 PolarHBondContact O-N 2.96Å; L1394-C1398 PolarHBondContact O-SG 3.26Å
1395L71.7Confident66.7Low0 Ų053.1 Ų53.10%026%0.255CS..Hα-helixtrans-63.6-40.4177.6-167.3108.9000112.1L1376 A1377 R1391 S1392 E1393 W1397 C1398 L1399 L1425 V1434L1376-L1395 HydrophobicContact CB-CD1 3.57Å; A1377-L1395 HydrophobicContact CB-CD1 4.48Å; R1391-L1395 VanDerWaalsContact O-CB 3.32Å; R1391-L1395 WeakPolarHBondContact O-CB 3.38Å; R1391-L1395 PolarHBondContact O-N 3.21Å; S1392-L1395 PolarHBondContact O-N 3.17Å; E1393-L1395 VanDerWaalsContact C-N 3.32Å; E1393-L1395 PolarHBondContact O-N 2.97Å; L1395-W1397 VanDerWaalsContact C-N 3.34Å; L1395-W1397 PolarHBondContact O-N 3.42Å; L1395-C1398 PolarHBondContact O-N 3.46Å; L1395-L1399 HydrophobicContact CD2-CD1 4.02Å; L1395-L1399 HydrophobicContact CG-CD1 4.41Å; L1395-L1399 WeakPolarHBondContact O-CB 3.21Å; L1395-L1399 WeakPolarHBondContact O-CG 2.85Å; L1395-L1399 PolarHBondContact O-N 2.87Å; L1395-L1425 HydrophobicContact CD2-CD1 3.72Å; L1395-L1425 HydrophobicContact CD2-CD2 3.68Å; L1395-L1425 HydrophobicContact CD2-CG 4.37Å; L1395-V1434 HydrophobicContact CD2-CG1 3.87Å
1396M72.5Confident67Low28 Ų2850.2 Ų50.214%0.13824%0.238CC..Hα-helixtrans-60.6-42.5173-73.6-170-62.200111.9S1392 E1393 L1399 D1400 R1433 V1434 T1437S1392-M1396 WeakPolarHBondContact O-CG 3.5Å; S1392-M1396 PolarHBondContact O-N 3.48Å; E1393-M1396 HydrophobicContact CB-CE 4.32Å; E1393-M1396 HydrophobicContact CG-CE 3.93Å; E1393-M1396 WeakPolarHBondContact O-CB 2.94Å; E1393-M1396 PolarHBondContact O-N 3.19Å; M1396-L1399 PolarHBondContact O-N 3.27Å; M1396-D1400 WeakPolarHBondContact O-CB 2.93Å; M1396-D1400 PolarHBondContact O-N 3.45Å; M1396-R1433 HydrophobicContact SD-CB 3.95Å; M1396-V1434 HydrophobicContact CG-CB 4.24Å; M1396-V1434 HydrophobicContact CG-CG1 4.34Å; M1396-V1434 HydrophobicContact CG-CG2 3.78Å; M1396-V1434 HydrophobicContact SD-CG2 4.09Å; M1396-T1437 HydrophobicContact CB-CG2 4.28Å; M1396-T1437 HydrophobicContact CG-CG2 4.11Å; M1396-T1437 HydrophobicContact SD-CG2 4.04Å
1397W68.8Low67.1Low99 Ų9953.6 Ų53.638%0.37525%0.245SC..Hα-helixtrans-67.9-39179.9-68.619.4000111.1N1345 I1348 E1393 L1394 L1395 D1400 I1401N1345-W1397 HydrophobicContact CB-CZ3 4.19Å; I1348-W1397 HydrophobicContact CB-CE3 4.48Å; I1348-W1397 HydrophobicContact CG2-CB 3.8Å; I1348-W1397 HydrophobicContact CG2-CE3 3.9Å; E1393-W1397 PolarHBondContact O-N 3.19Å; L1394-W1397 PolarHBondContact O-N 3.26Å; L1395-W1397 VanDerWaalsContact C-N 3.34Å; L1395-W1397 PolarHBondContact O-N 3.42Å; W1397-D1400 PolarHBondContact O-N 3.43Å; W1397-I1401 VanDerWaalsContact O-CG1 3.32Å; W1397-I1401 WeakPolarHBondContact O-CG1 3.44Å; W1397-I1401 PolarHBondContact O-N 3.5Å; W1397-I1401 VanDerWaalsContact O-N 3.1Å
1398C71.8Confident67.4Low10 Ų1050.6 Ų50.67%0.06824%0.237CC..Hα-helixtrans-62.5-42.6172.3-66.20000112.2L1369 M1373 L1394 L1395 D1400 I1401 T1402L1369-C1398 HydrophobicContact CD2-CB 4.38Å; M1373-C1398 HydrophobicContact CE-CB 4.32Å; M1373-C1398 HydrophobicContact CG-CB 3.68Å; M1373-C1398 HydrophobicContact SD-CB 3.98Å; L1394-C1398 PolarHBondContact O-N 2.96Å; L1394-C1398 PolarHBondContact O-SG 3.26Å; L1395-C1398 PolarHBondContact O-N 3.46Å; C1398-D1400 VanDerWaalsContact C-N 3.33Å; C1398-D1400 PolarHBondContact O-N 2.94Å; C1398-I1401 PolarHBondContact O-N 2.93Å; C1398-T1402 PolarHBondContact O-N 2.97Å; C1398-T1402 PolarHBondContact O-OG1 3.39Å
1399L73.4Confident67.7Low1 Ų150.9 Ų50.91%0.00524%0.237CC..Hα-helixtrans-63.8-34.6175.3-75.9165.5000112.9M1373 L1395 M1396 T1402 K1403 L1422 V1434 I1438 L1441M1373-L1399 HydrophobicContact CE-CB 4.31Å; M1373-L1399 HydrophobicContact CE-CD2 3.31Å; M1373-L1399 HydrophobicContact CE-CG 3.56Å; L1395-L1399 HydrophobicContact CD2-CD1 4.02Å; L1395-L1399 HydrophobicContact CG-CD1 4.41Å; L1395-L1399 WeakPolarHBondContact O-CB 3.21Å; L1395-L1399 WeakPolarHBondContact O-CG 2.85Å; L1395-L1399 PolarHBondContact O-N 2.87Å; M1396-L1399 PolarHBondContact O-N 3.27Å; L1399-T1402 WeakPolarHBondContact CA-OG1 3.35Å; L1399-T1402 PolarHBondContact O-OG1 2.88Å; L1399-K1403 PolarHBondContact O-N 2.9Å; L1399-L1422 HydrophobicContact CD2-CD2 3.68Å; L1399-V1434 HydrophobicContact CD1-CG1 4.06Å; L1399-I1438 HydrophobicContact CD1-CG1 3.98Å; L1399-L1441 HydrophobicContact CD2-CD2 3.97Å
1400D70.9Confident68Low57 Ų5747 Ų4731%0.30523%0.228SC..Hα-helixtrans-73.6-31.4178-158.728.7000111.6K1352 M1396 W1397 C1398 K1403K1352-D1400 WeakPolarHBondContact CE-OD2 3.33Å; K1352-D1400 IonicContact NZ-OD2 2.67Å; K1352-D1400 PolarHBondContact NZ-OD2 3.44Å; M1396-D1400 WeakPolarHBondContact O-CB 2.93Å; M1396-D1400 PolarHBondContact O-N 3.45Å; W1397-D1400 PolarHBondContact O-N 3.43Å; C1398-D1400 VanDerWaalsContact C-N 3.33Å; C1398-D1400 PolarHBondContact O-N 2.94Å; D1400-K1403 WeakPolarHBondContact O-CB 3.44Å; D1400-K1403 PolarHBondContact O-N 2.81Å
1401I69.5Low68.2Low3 Ų345.2 Ų45.22%0.01523%0.23CC..Hα-helixtrans-71.3-41.3173.1-65.1167.3000110.8I1348 L1351 K1352 L1369 W1397 C1398 K1403 S1404 M1405I1348-I1401 HydrophobicContact CG2-CD1 3.53Å; L1351-I1401 HydrophobicContact CB-CD1 4.08Å; K1352-I1401 HydrophobicContact CB-CD1 4.23Å; K1352-I1401 HydrophobicContact CB-CG1 3.97Å; K1352-I1401 HydrophobicContact CG-CG1 4.46Å; L1369-I1401 HydrophobicContact CD1-CG2 4.17Å; W1397-I1401 VanDerWaalsContact O-CG1 3.32Å; W1397-I1401 WeakPolarHBondContact O-CG1 3.44Å; W1397-I1401 PolarHBondContact O-N 3.5Å; W1397-I1401 VanDerWaalsContact O-N 3.1Å; C1398-I1401 PolarHBondContact O-N 2.93Å; I1401-K1403 PolarHBondContact O-N 3.17Å; I1401-S1404 PolarHBondContact O-N 3.12Å; I1401-S1404 PolarHBondContact O-OG 2.81Å; I1401-M1405 HydrophobicContact CG2-CE 4.04Å
1402T70.2Confident68.5Low0 Ų049.9 Ų49.90%025%0.252CS..Hα-helixtrans-62.1-27176.554.70000112.4L1369 M1373 C1398 L1399 S1404 M1405 V1406L1369-T1402 HydrophobicContact CD2-CG2 3.53Å; M1373-T1402 HydrophobicContact CE-CG2 4.26Å; M1373-T1402 HydrophobicContact SD-CG2 3.7Å; C1398-T1402 PolarHBondContact O-N 2.97Å; C1398-T1402 PolarHBondContact O-OG1 3.39Å; L1399-T1402 WeakPolarHBondContact CA-OG1 3.35Å; L1399-T1402 PolarHBondContact O-OG1 2.88Å; T1402-S1404 VanDerWaalsContact C-N 3.29Å; T1402-S1404 PolarHBondContact O-N 3.02Å; T1402-M1405 HydrophobicContact CG2-CE 3.79Å; T1402-M1405 PolarHBondContact O-N 3.44Å; T1402-V1406 VanDerWaalsContact O-CG2 3.3Å; T1402-V1406 WeakPolarHBondContact O-CG2 3.29Å; T1402-V1406 PolarHBondContact O-N 3.36Å
1403K70.6Confident68.5Low58 Ų5850.9 Ų50.925%0.25226%0.257SS..Hα-helixtrans-50.6-44.1172.9-168.2-177.6178.7-174.90113.4L1399 D1400 I1401 V1406 L1440 L1441 H1444L1399-K1403 PolarHBondContact O-N 2.9Å; D1400-K1403 WeakPolarHBondContact O-CB 3.44Å; D1400-K1403 PolarHBondContact O-N 2.81Å; I1401-K1403 PolarHBondContact O-N 3.17Å; K1403-V1406 WeakPolarHBondContact O-CG2 3.49Å; K1403-L1440 WeakPolarHBondContact CE-O 3.34Å; K1403-L1441 HydrophobicContact CB-CD1 3.66Å; K1403-L1441 HydrophobicContact CG-CD1 4.12Å; K1403-H1444 HydrophobicContact CD-CB 4.29Å; K1403-H1444 VanDerWaalsContact CE-CB 3.46Å; K1403-H1444 HydrophobicContact CG-CB 3.85Å; K1403-H1444 PolarHBondContact O-CD2 2.71Å; K1403-H1444 VanDerWaalsContact O-CD2 3.25Å
1404S64Low68.7Low56 Ų5648.2 Ų48.239%0.39225%0.245SC..Hα-helixtrans-77.5-15.717744.40000114.7S1355 I1401 T1402S1355-S1404 WeakPolarHBondContact CB-OG 3.47Å; S1355-S1404 WeakPolarHBondContact O-CB 3.38Å; S1355-S1404 PolarHBondContact OG-OG 3.17Å; I1401-S1404 PolarHBondContact O-N 3.12Å; I1401-S1404 PolarHBondContact O-OG 2.81Å; T1402-S1404 VanDerWaalsContact C-N 3.29Å; T1402-S1404 PolarHBondContact O-N 3.02Å
1405M64.3Low69Low5 Ų551.8 Ų51.83%0.02526%0.259CS..Hα-helixtrans-97.4-7-175.6-62.6-169.9-64.800114L1369 I1401 T1402 Q1407 S1408 L1409L1369-M1405 HydrophobicContact CD1-CE 4.33Å; L1369-M1405 HydrophobicContact CD2-CE 4.19Å; I1401-M1405 HydrophobicContact CG2-CE 4.04Å; T1402-M1405 HydrophobicContact CG2-CE 3.79Å; T1402-M1405 PolarHBondContact O-N 3.44Å; M1405-Q1407 VanDerWaalsContact C-N 3.27Å; M1405-Q1407 PolarHBondContact O-N 3.13Å; M1405-Q1407 VanDerWaalsContact O-N 3.09Å; M1405-S1408 PolarHBondContact O-N 2.9Å; M1405-S1408 PolarHBondContact O-OG 3.12Å; M1405-L1409 PolarHBondContact O-N 3.2Å
1406V66.2Low69.2Low5 Ų555.1 Ų55.13%0.0327%0.274CS..G310 helixtrans-49.1-41.3-170170.30000114.4T1402 K1403 S1408 Q1414 L1441 W1445T1402-V1406 VanDerWaalsContact O-CG2 3.3Å; T1402-V1406 WeakPolarHBondContact O-CG2 3.29Å; T1402-V1406 PolarHBondContact O-N 3.36Å; K1403-V1406 WeakPolarHBondContact O-CG2 3.49Å; V1406-S1408 VanDerWaalsContact C-N 3.29Å; V1406-S1408 PolarHBondContact O-N 3.27Å; V1406-Q1414 PolarHBondContact O-NE2 2.75Å; V1406-Q1414 VanDerWaalsContact O-NE2 3.15Å; V1406-L1441 HydrophobicContact CG2-CD1 4.11Å; V1406-W1445 HydrophobicContact CG1-CB 4.27Å; V1406-W1445 HydrophobicContact CG1-CD2 3.74Å; V1406-W1445 HydrophobicContact CG1-CG 3.45Å; V1406-W1445 VanDerWaalsContact CG1-CG 3.45Å; V1406-W1445 HydrophobicContact CG1-CZ2 4.35Å; V1406-W1445 HydrophobicContact CG2-CD2 4.44Å; V1406-W1445 HydrophobicContact CG2-CG 4.48Å
1407Q62.9Low69.4Low166 Ų16653.9 Ų53.978%0.77627%0.268SS*.G310 helixtrans-72.4-19.9-177.8-162.3175.67.200113.7M1405 V1448M1405-Q1407 VanDerWaalsContact C-N 3.27Å; M1405-Q1407 PolarHBondContact O-N 3.13Å; M1405-Q1407 VanDerWaalsContact O-N 3.09Å; Q1407-V1448 HydrophobicContact CB-CG1 4.19Å; Q1407-V1448 HydrophobicContact CG-CG1 4.25Å
1408S62.7Low69.7Low52 Ų5249.4 Ų49.436%0.36425%0.251SS..G310 helixtrans-105.5-7.3-173.467.60000114.4M1405 V1406M1405-S1408 PolarHBondContact O-N 2.9Å; M1405-S1408 PolarHBondContact O-OG 3.12Å; V1406-S1408 VanDerWaalsContact C-N 3.29Å; V1406-S1408 PolarHBondContact O-N 3.27Å
1409L67.4Low70Confident12 Ų1252.7 Ų52.76%0.06327%0.266CS..SBendtrans-72.3133.3178.4-74.5162.8000111.2A1366 M1405 L1413 Q1414 L1417A1366-L1409 HydrophobicContact CB-CD2 3.97Å; M1405-L1409 PolarHBondContact O-N 3.2Å; L1409-L1413 HydrophobicContact CD2-CB 4.14Å; L1409-Q1414 HydrophobicContact CB-CG 3.61Å; L1409-Q1414 PolarHBondContact O-NE2 2.85Å; L1409-L1417 HydrophobicContact CD1-CD2 4.41Å
1410S71.2Confident70.1Confident61 Ų6155.1 Ų55.143%0.42728%0.279SS..  trans-64.7150.3173730000111.6K1412 L1413 Q1414S1410-K1412 PolarHBondContact O-N 2.88Å; S1410-K1412 VanDerWaalsContact O-N 3.09Å; S1410-L1413 PolarHBondContact O-N 3.23Å; S1410-L1413 PolarHBondContact OG-N 3.31Å; S1410-Q1414 PolarHBondContact O-N 3.21Å
1411L67Low70.3Confident125 Ų12552.4 Ų52.465%0.65426%0.264SS*.Hα-helixtrans-51.8-34.2178.2-94.3143.8000113.3K1415 T1459L1411-K1415 WeakPolarHBondContact O-CB 2.99Å; L1411-K1415 PolarHBondContact O-N 2.93Å; L1411-T1459 HydrophobicContact CD2-CG2 4.1Å
1412K70.7Confident70.7Confident184 Ų18452.3 Ų52.380%0.826%0.264SS*.Hα-helixtrans-65.9-44174.5-81.4-175.9176.9178.30112.5S1410 K1416S1410-K1412 PolarHBondContact O-N 2.88Å; S1410-K1412 VanDerWaalsContact O-N 3.09Å; K1412-K1416 WeakPolarHBondContact O-CB 3.41Å; K1412-K1416 PolarHBondContact O-N 3.22Å
1413L68.7Low71.1Confident27 Ų2753 Ų5314%0.14127%0.268CS..Hα-helixtrans-72.6-36.8179.1-76.9163.2000111.9E1367 V1370 L1409 S1410 K1416 L1417E1367-L1413 HydrophobicContact CB-CD1 4.34Å; E1367-L1413 HydrophobicContact CB-CD2 4.21Å; E1367-L1413 HydrophobicContact CG-CD2 4.28Å; V1370-L1413 HydrophobicContact CB-CD2 4.29Å; V1370-L1413 HydrophobicContact CG1-CD2 4.3Å; L1409-L1413 HydrophobicContact CD2-CB 4.14Å; S1410-L1413 PolarHBondContact O-N 3.23Å; S1410-L1413 PolarHBondContact OG-N 3.31Å; L1413-K1416 PolarHBondContact O-N 3.39Å; L1413-L1417 WeakPolarHBondContact O-CB 3.34Å; L1413-L1417 PolarHBondContact O-N 3.23Å
1414Q71.6Confident71.4Confident42 Ų4252.3 Ų52.320%0.19627%0.268CS..Hα-helixtrans-60.5-46.9172.6-70.3-177.9-16.300111V1406 L1409 S1410 K1416 L1417 V1418 W1445V1406-Q1414 PolarHBondContact O-NE2 2.75Å; V1406-Q1414 VanDerWaalsContact O-NE2 3.15Å; L1409-Q1414 HydrophobicContact CB-CG 3.61Å; L1409-Q1414 PolarHBondContact O-NE2 2.85Å; S1410-Q1414 PolarHBondContact O-N 3.21Å; Q1414-K1416 VanDerWaalsContact C-N 3.34Å; Q1414-K1416 PolarHBondContact O-N 3.3Å; Q1414-L1417 PolarHBondContact O-N 3.4Å; Q1414-V1418 VanDerWaalsContact O-CG2 3.29Å; Q1414-V1418 WeakPolarHBondContact O-CG2 3.26Å; Q1414-V1418 PolarHBondContact O-N 3.38Å; Q1414-W1445 HydrophobicContact CB-CZ2 4.37Å; Q1414-W1445 HydrophobicContact CG-CZ2 4.14Å
1415K73.4Confident71.8Confident96 Ų9649.8 Ų49.842%0.41725%0.25SS..Hα-helixtrans-61.4-41.8175.8-174168.3176133.50112.1L1411 V1418 Q1419 D1461L1411-K1415 WeakPolarHBondContact O-CB 2.99Å; L1411-K1415 PolarHBondContact O-N 2.93Å; K1415-V1418 PolarHBondContact O-N 2.9Å; K1415-Q1419 HydrophobicContact CG-CG 4.38Å; K1415-Q1419 WeakPolarHBondContact O-CB 3.5Å; K1415-Q1419 PolarHBondContact O-N 3.03Å; K1415-D1461 VanDerWaalsContact CE-OD2 3.3Å; K1415-D1461 WeakPolarHBondContact CE-OD2 3.43Å; K1415-D1461 IonicContact NZ-OD1 3.2Å; K1415-D1461 IonicContact NZ-OD2 3.01Å; K1415-D1461 PolarHBondContact NZ-OD2 3.16Å
1416K75.8Confident72.3Confident71 Ų7149.8 Ų49.831%0.30925%0.251SS..Hα-helixtrans-65.4-40.8177.5-155.8-179.3-177.1-159.70112.3N1371 E1374 K1412 L1413 Q1414 N1420N1371-K1416 PolarHBondContact OD1-NZ 3.41Å; E1374-K1416 WeakPolarHBondContact OE2-CE 3.38Å; E1374-K1416 IonicContact OE2-NZ 2.75Å; E1374-K1416 PolarHBondContact OE2-NZ 2.87Å; E1374-K1416 VanDerWaalsContact OE2-NZ 3.12Å; K1412-K1416 WeakPolarHBondContact O-CB 3.41Å; K1412-K1416 PolarHBondContact O-N 3.22Å; L1413-K1416 PolarHBondContact O-N 3.39Å; Q1414-K1416 VanDerWaalsContact C-N 3.34Å; Q1414-K1416 PolarHBondContact O-N 3.3Å; K1416-N1420 VanDerWaalsContact O-CB 3.29Å; K1416-N1420 WeakPolarHBondContact O-CB 3.42Å; K1416-N1420 PolarHBondContact O-N 3.49Å
1417L75.9Confident72.5Confident1 Ų154 Ų541%0.00527%0.27CS..Iπ-helixtrans-63.4-45.4174.3-178.671.5000111.5M1373 L1409 L1413 Q1414 V1421 L1422 W1445M1373-L1417 HydrophobicContact CE-CD1 4.09Å; M1373-L1417 HydrophobicContact SD-CD1 4.37Å; L1409-L1417 HydrophobicContact CD1-CD2 4.41Å; L1413-L1417 WeakPolarHBondContact O-CB 3.34Å; L1413-L1417 PolarHBondContact O-N 3.23Å; Q1414-L1417 PolarHBondContact O-N 3.4Å; L1417-V1421 HydrophobicContact CD1-CB 4.18Å; L1417-V1421 HydrophobicContact CD1-CG1 4.38Å; L1417-V1421 HydrophobicContact CD1-CG2 4.38Å; L1417-V1421 WeakPolarHBondContact O-CB 3.4Å; L1417-V1421 PolarHBondContact O-N 3.04Å; L1417-L1422 HydrophobicContact CG-CD1 4.23Å; L1417-L1422 HydrophobicContact CG-CG 4.37Å; L1417-L1422 PolarHBondContact O-N 3.32Å; L1417-W1445 HydrophobicContact CD2-CH2 4.28Å; L1417-W1445 HydrophobicContact CD2-CZ3 4.42Å
1418V75.7Confident72.7Confident5 Ų551.6 Ų51.63%0.0326%0.263CS..Iπ-helixtrans-66.6-51.4179.8174.10000110.9Q1414 K1415 T1423 W1445 F1462 F1465Q1414-V1418 VanDerWaalsContact O-CG2 3.29Å; Q1414-V1418 WeakPolarHBondContact O-CG2 3.26Å; Q1414-V1418 PolarHBondContact O-N 3.38Å; K1415-V1418 PolarHBondContact O-N 2.9Å; V1418-T1423 WeakPolarHBondContact O-CB 3.46Å; V1418-T1423 PolarHBondContact O-N 3.12Å; V1418-T1423 PolarHBondContact O-OG1 2.96Å; V1418-W1445 HydrophobicContact CG2-CH2 3.76Å; V1418-W1445 HydrophobicContact CG2-CZ3 4.1Å; V1418-F1462 HydrophobicContact CG2-CD2 4Å; V1418-F1465 HydrophobicContact CG1-CB 3.68Å; V1418-F1465 HydrophobicContact CG1-CG 4.06Å
1419Q77.4Confident72.7Confident79 Ų7950.5 Ų50.537%0.36925%0.252SS..Iπ-helixtrans-76.2-47.3-175-69.7-173.1-23.800113.4K1415 D1461K1415-Q1419 HydrophobicContact CG-CG 4.38Å; K1415-Q1419 WeakPolarHBondContact O-CB 3.5Å; K1415-Q1419 PolarHBondContact O-N 3.03Å; Q1419-D1461 PolarHBondContact NE2-OD1 3.38Å
1420N76.9Confident72.4Confident52 Ų5257 Ų5728%0.27828%0.282SS..Iπ-helixtrans-93.2-19.4-169.2-62.34.5000113.9E1374 K1416 V1424E1374-N1420 HydrophobicContact CG-CB 4.18Å; E1374-N1420 PolarHBondContact OE1-ND2 2.85Å; K1416-N1420 VanDerWaalsContact O-CB 3.29Å; K1416-N1420 WeakPolarHBondContact O-CB 3.42Å; K1416-N1420 PolarHBondContact O-N 3.49Å; N1420-V1424 WeakPolarHBondContact O-CG2 3.25Å
1421V74.1Confident72.2Confident1 Ų156.1 Ų56.11%0.00627%0.273CS..Iπ-helixtrans-112.8-66.3-177.8-175.10000110.4M1373 E1374 A1377 L1417 V1424 L1425M1373-V1421 HydrophobicContact CB-CG1 4.14Å; M1373-V1421 HydrophobicContact CB-CG2 4.29Å; M1373-V1421 HydrophobicContact CE-CG1 4.22Å; E1374-V1421 HydrophobicContact CB-CG2 4.09Å; A1377-V1421 HydrophobicContact CB-CG1 4.28Å; L1417-V1421 HydrophobicContact CD1-CB 4.18Å; L1417-V1421 HydrophobicContact CD1-CG1 4.38Å; L1417-V1421 HydrophobicContact CD1-CG2 4.38Å; L1417-V1421 WeakPolarHBondContact O-CB 3.4Å; L1417-V1421 PolarHBondContact O-N 3.04Å; V1421-V1424 PolarHBondContact O-N 3.28Å; V1421-L1425 HydrophobicContact CG1-CD1 3.78Å; V1421-L1425 WeakPolarHBondContact O-CB 3.25Å; V1421-L1425 WeakPolarHBondContact O-CD1 3.48Å; V1421-L1425 WeakPolarHBondContact O-CG 3.43Å; V1421-L1425 PolarHBondContact O-N 3.12Å
1422L77.8Confident72.4Confident0 Ų054.8 Ų54.80%026%0.262CS..Iπ-helixtrans-66.9-43.3-172.3-65.6175.5000112.6L1399 L1417 L1425 V1426 I1438 L1441 W1445 F1465L1399-L1422 HydrophobicContact CD2-CD2 3.68Å; L1417-L1422 HydrophobicContact CG-CD1 4.23Å; L1417-L1422 HydrophobicContact CG-CG 4.37Å; L1417-L1422 PolarHBondContact O-N 3.32Å; L1422-L1425 PolarHBondContact O-N 3.38Å; L1422-V1426 VanDerWaalsContact O-CG2 3.31Å; L1422-V1426 WeakPolarHBondContact O-CG2 3.34Å; L1422-V1426 PolarHBondContact O-N 3.14Å; L1422-I1438 HydrophobicContact CD2-CD1 4.46Å; L1422-I1438 HydrophobicContact CD2-CG1 4.09Å; L1422-I1438 HydrophobicContact CD2-CG2 4.19Å; L1422-L1441 HydrophobicContact CD1-CD2 4.34Å; L1422-L1441 HydrophobicContact CD2-CD2 4.16Å; L1422-W1445 HydrophobicContact CD1-CZ3 4.09Å; L1422-F1465 HydrophobicContact CB-CD2 4.2Å; L1422-F1465 HydrophobicContact CB-CE2 3.55Å; L1422-F1465 HydrophobicContact CB-CZ 3.81Å; L1422-F1465 HydrophobicContact CD1-CE1 4.49Å; L1422-F1465 HydrophobicContact CD1-CZ 4.31Å
1423T79.1Confident72.4Confident16 Ų1654.8 Ų54.810%0.09826%0.257CS..Hα-helixtrans-65.8-44.2178.4-560000111.5V1418 L1425 V1426 E1427 K1468V1418-T1423 WeakPolarHBondContact O-CB 3.46Å; V1418-T1423 PolarHBondContact O-N 3.12Å; V1418-T1423 PolarHBondContact O-OG1 2.96Å; T1423-L1425 VanDerWaalsContact C-N 3.33Å; T1423-L1425 PolarHBondContact O-N 3.46Å; T1423-V1426 PolarHBondContact O-N 3.14Å; T1423-E1427 WeakPolarHBondContact O-CG 3.19Å; T1423-E1427 PolarHBondContact O-N 2.58Å; T1423-K1468 HydrophobicContact CG2-CD 3.82Å
1424V76Confident72.6Confident42 Ų4253.5 Ų53.526%0.25525%0.25SS..Hα-helixtrans-63.1-39.2178.1177.60000111.6N1420 V1421 N1428N1420-V1424 WeakPolarHBondContact O-CG2 3.25Å; V1421-V1424 PolarHBondContact O-N 3.28Å; V1424-N1428 WeakPolarHBondContact O-CB 3.17Å; V1424-N1428 PolarHBondContact O-N 2.62Å; V1424-N1428 VanDerWaalsContact O-N 3.14Å
1425L73.6Confident72.7Confident3 Ų352.3 Ų52.32%0.01625%0.245CC..Hα-helixtrans-67-45.5173.9-69164.3000110.9A1377 L1395 V1421 L1422 T1423 E1427 N1428 M1429 I1438A1377-L1425 HydrophobicContact CB-CD2 4.18Å; A1377-L1425 HydrophobicContact CB-CG 4.18Å; L1395-L1425 HydrophobicContact CD2-CD1 3.72Å; L1395-L1425 HydrophobicContact CD2-CD2 3.68Å; L1395-L1425 HydrophobicContact CD2-CG 4.37Å; V1421-L1425 HydrophobicContact CG1-CD1 3.78Å; V1421-L1425 WeakPolarHBondContact O-CB 3.25Å; V1421-L1425 WeakPolarHBondContact O-CD1 3.48Å; V1421-L1425 WeakPolarHBondContact O-CG 3.43Å; V1421-L1425 PolarHBondContact O-N 3.12Å; L1422-L1425 PolarHBondContact O-N 3.38Å; T1423-L1425 VanDerWaalsContact C-N 3.33Å; T1423-L1425 PolarHBondContact O-N 3.46Å; L1425-E1427 VanDerWaalsContact C-N 3.27Å; L1425-E1427 PolarHBondContact O-N 2.95Å; L1425-N1428 PolarHBondContact O-N 3.23Å; L1425-M1429 HydrophobicContact CB-CG 4.07Å; L1425-M1429 HydrophobicContact CD2-CE 4.31Å; L1425-M1429 HydrophobicContact CD2-CG 4.13Å; L1425-M1429 HydrophobicContact CD2-SD 3.77Å; L1425-M1429 WeakPolarHBondContact O-CB 3.41Å; L1425-M1429 WeakPolarHBondContact O-CG 3.48Å; L1425-M1429 PolarHBondContact O-N 3.45Å; L1425-I1438 HydrophobicContact CB-CD1 4.19Å; L1425-I1438 HydrophobicContact CD1-CD1 4.46Å
1426V73.6Confident72.8Confident5 Ų548.4 Ų48.43%0.0323%0.232CC..Hα-helixtrans-62.3-35.2179.51710000111.9L1422 T1423 L1435 F1465 L1469 C1472L1422-V1426 VanDerWaalsContact O-CG2 3.31Å; L1422-V1426 WeakPolarHBondContact O-CG2 3.34Å; L1422-V1426 PolarHBondContact O-N 3.14Å; T1423-V1426 PolarHBondContact O-N 3.14Å; V1426-L1435 HydrophobicContact CG2-CD1 4.43Å; V1426-F1465 HydrophobicContact CB-CE2 4.46Å; V1426-F1465 HydrophobicContact CG2-CE2 3.7Å; V1426-F1465 HydrophobicContact CG2-CZ 4.17Å; V1426-L1469 HydrophobicContact CG2-CD1 3.82Å; V1426-C1472 HydrophobicContact CG1-CB 3.54Å; V1426-C1472 PolarHBondContact O-SG 3.32Å
1427E71.4Confident72.7Confident93 Ų9346.7 Ų46.744%0.43523%0.228SC..Hα-helixtrans-73.1-41.3178.9-72175178.600113.1T1423 L1425 K1468 K1476T1423-E1427 WeakPolarHBondContact O-CG 3.19Å; T1423-E1427 PolarHBondContact O-N 2.58Å; L1425-E1427 VanDerWaalsContact C-N 3.27Å; L1425-E1427 PolarHBondContact O-N 2.95Å; E1427-K1468 IonicContact OE1-NZ 3.93Å; E1427-K1468 PolarHBondContact OE1-NZ 3.35Å; E1427-K1476 PolarHBondContact O-NZ 2.98Å
1428N66.6Low72.9Confident116 Ų11646.7 Ų46.762%0.6223%0.228SC*.Hα-helixtrans-106.89.6-166.4-65.2-31.2000116.6V1424 L1425V1424-N1428 WeakPolarHBondContact O-CB 3.17Å; V1424-N1428 PolarHBondContact O-N 2.62Å; V1424-N1428 VanDerWaalsContact O-N 3.14Å; L1425-N1428 PolarHBondContact O-N 3.23Å
1429M62.4Low72.9Confident30 Ų3046.5 Ų46.515%0.14823%0.226CC..  trans-98.1137.5-168.7-73.4-80.6-7700116.3Q1383 L1425 V1434Q1383-M1429 PolarHBondContact NE2-SD 2.75Å; Q1383-M1429 VanDerWaalsContact NE2-SD 3.35Å; L1425-M1429 HydrophobicContact CB-CG 4.07Å; L1425-M1429 HydrophobicContact CD2-CE 4.31Å; L1425-M1429 HydrophobicContact CD2-CG 4.13Å; L1425-M1429 HydrophobicContact CD2-SD 3.77Å; L1425-M1429 WeakPolarHBondContact O-CB 3.41Å; L1425-M1429 WeakPolarHBondContact O-CG 3.48Å; L1425-M1429 PolarHBondContact O-N 3.45Å; M1429-V1434 HydrophobicContact CE-CB 3.29Å; M1429-V1434 HydrophobicContact CE-CG1 3.42Å; M1429-V1434 VanDerWaalsContact CE-CG1 3.42Å; M1429-V1434 HydrophobicContact CE-CG2 3.58Å
1430E61.1Low72.9Confident148 Ų14846.3 Ų46.369%0.69223%0.228SC*.  trans-103.2-17170-65.5-177.4162.300113.8
1431N68.2Low72.9Confident43 Ų4344 Ų4423%0.2322%0.215CC..  trans-94.1105.9-175.1-172.3-12.6000113.8S1392 R1433 V1434S1392-N1431 PolarHBondContact OG-ND2 2.87Å; N1431-R1433 VanDerWaalsContact C-N 3.28Å; N1431-R1433 PolarHBondContact O-N 3.47Å; N1431-R1433 VanDerWaalsContact O-N 3.17Å; N1431-R1433 PolarHBondContact OD1-N 3.08Å; N1431-V1434 HydrophobicContact CB-CG2 4.4Å; N1431-V1434 PolarHBondContact O-N 2.95Å
1432F69.6Low73Confident96 Ų9643.9 Ų43.942%0.42122%0.215SC..Hα-helixtrans-59.4-24.9-176.8-57.5-63.3000115.6L1435 G1436 I1477 V1483F1432-L1435 PolarHBondContact O-N 3.27Å; F1432-G1436 PolarHBondContact O-N 3.06Å; F1432-G1436 VanDerWaalsContact O-N 3.16Å; F1432-I1477 HydrophobicContact CD1-CG1 4.2Å; F1432-I1477 HydrophobicContact CE1-CG1 4.18Å; F1432-V1483 HydrophobicContact CB-CG2 4.41Å
1433R71.5Confident72.9Confident185 Ų18544.5 Ų44.570%0.69822%0.218SC*.Hα-helixtrans-69.8-38.3-179-70.2-174178-178.3-1.1112.8M1396 N1431 L1435 G1436 T1437M1396-R1433 HydrophobicContact SD-CB 3.95Å; N1431-R1433 VanDerWaalsContact C-N 3.28Å; N1431-R1433 PolarHBondContact O-N 3.47Å; N1431-R1433 VanDerWaalsContact O-N 3.17Å; N1431-R1433 PolarHBondContact OD1-N 3.08Å; R1433-L1435 VanDerWaalsContact C-N 3.31Å; R1433-G1436 PolarHBondContact O-N 3.18Å; R1433-T1437 PolarHBondContact O-N 2.96Å; R1433-T1437 VanDerWaalsContact O-N 3.12Å
1434V72.5Confident72.7Confident0 Ų046.6 Ų46.60%023%0.226CC..Hα-helixtrans-67-38.6178.4-174.30000110.1L1395 M1396 L1399 M1429 N1431 G1436 T1437 I1438L1395-V1434 HydrophobicContact CD2-CG1 3.87Å; M1396-V1434 HydrophobicContact CG-CB 4.24Å; M1396-V1434 HydrophobicContact CG-CG1 4.34Å; M1396-V1434 HydrophobicContact CG-CG2 3.78Å; M1396-V1434 HydrophobicContact SD-CG2 4.09Å; L1399-V1434 HydrophobicContact CD1-CG1 4.06Å; M1429-V1434 HydrophobicContact CE-CB 3.29Å; M1429-V1434 HydrophobicContact CE-CG1 3.42Å; M1429-V1434 VanDerWaalsContact CE-CG1 3.42Å; M1429-V1434 HydrophobicContact CE-CG2 3.58Å; N1431-V1434 HydrophobicContact CB-CG2 4.4Å; N1431-V1434 PolarHBondContact O-N 2.95Å; V1434-G1436 VanDerWaalsContact C-N 3.33Å; V1434-G1436 PolarHBondContact O-N 2.98Å; V1434-T1437 WeakPolarHBondContact CA-OG1 3.2Å; V1434-T1437 PolarHBondContact O-N 3.39Å; V1434-T1437 VanDerWaalsContact O-N 3.16Å; V1434-T1437 PolarHBondContact O-OG1 3.34Å; V1434-I1438 HydrophobicContact CG1-CD1 4.3Å; V1434-I1438 WeakPolarHBondContact O-CG1 3.38Å; V1434-I1438 PolarHBondContact O-N 3.27Å
1435L75.1Confident72.7Confident16 Ų1645.3 Ų45.38%0.08422%0.217CC..Hα-helixtrans-62.2-40.3174.2-169.965.9000111.9V1426 F1432 R1433 T1437 I1438 I1439 L1469 V1473 I1477V1426-L1435 HydrophobicContact CG2-CD1 4.43Å; F1432-L1435 PolarHBondContact O-N 3.27Å; R1433-L1435 VanDerWaalsContact C-N 3.31Å; L1435-T1437 VanDerWaalsContact C-N 3.34Å; L1435-T1437 PolarHBondContact O-N 3.29Å; L1435-I1438 PolarHBondContact O-N 3.25Å; L1435-I1439 HydrophobicContact CG-CD1 4.27Å; L1435-I1439 VanDerWaalsContact O-CG1 3.3Å; L1435-I1439 WeakPolarHBondContact O-CG1 2.96Å; L1435-I1439 PolarHBondContact O-N 3.04Å; L1435-L1469 HydrophobicContact CD1-CD1 3.76Å; L1435-V1473 HydrophobicContact CD2-CG2 4.15Å; L1435-I1477 HydrophobicContact CD2-CD1 3.34Å; L1435-I1477 HydrophobicContact CD2-CG1 4.11Å
1436G75.4Confident72.6Confident15 Ų1545.2 Ų45.216%0.15522%0.216CC..Hα-helixtrans-57.8-42.5171.600000113.1F1432 R1433 V1434 I1439 L1440F1432-G1436 PolarHBondContact O-N 3.06Å; F1432-G1436 VanDerWaalsContact O-N 3.16Å; R1433-G1436 PolarHBondContact O-N 3.18Å; V1434-G1436 VanDerWaalsContact C-N 3.33Å; V1434-G1436 PolarHBondContact O-N 2.98Å; G1436-I1439 PolarHBondContact O-N 3.45Å; G1436-L1440 WeakPolarHBondContact O-CG 3.36Å; G1436-L1440 PolarHBondContact O-N 2.84Å
1437T73.8Confident72.5Confident34 Ų3448.4 Ų48.421%0.20923%0.231CC..Hα-helixtrans-67.4-35.3175.155.20000113.1M1396 R1433 V1434 L1435 L1440 L1441M1396-T1437 HydrophobicContact CB-CG2 4.28Å; M1396-T1437 HydrophobicContact CG-CG2 4.11Å; M1396-T1437 HydrophobicContact SD-CG2 4.04Å; R1433-T1437 PolarHBondContact O-N 2.96Å; R1433-T1437 VanDerWaalsContact O-N 3.12Å; V1434-T1437 WeakPolarHBondContact CA-OG1 3.2Å; V1434-T1437 PolarHBondContact O-N 3.39Å; V1434-T1437 VanDerWaalsContact O-N 3.16Å; V1434-T1437 PolarHBondContact O-OG1 3.34Å; L1435-T1437 VanDerWaalsContact C-N 3.34Å; L1435-T1437 PolarHBondContact O-N 3.29Å; T1437-L1440 PolarHBondContact O-N 3.49Å; T1437-L1441 WeakPolarHBondContact O-CB 3.39Å; T1437-L1441 PolarHBondContact O-N 3.2Å
1438I78.1Confident72.3Confident2 Ų246 Ų461%0.0122%0.222CC..Hα-helixtrans-64.4-44173.6-67.6167.7000110.4L1399 L1422 L1425 V1434 L1435 L1440 L1441 V1442 F1465 L1469L1399-I1438 HydrophobicContact CD1-CG1 3.98Å; L1422-I1438 HydrophobicContact CD2-CD1 4.46Å; L1422-I1438 HydrophobicContact CD2-CG1 4.09Å; L1422-I1438 HydrophobicContact CD2-CG2 4.19Å; L1425-I1438 HydrophobicContact CB-CD1 4.19Å; L1425-I1438 HydrophobicContact CD1-CD1 4.46Å; V1434-I1438 HydrophobicContact CG1-CD1 4.3Å; V1434-I1438 WeakPolarHBondContact O-CG1 3.38Å; V1434-I1438 PolarHBondContact O-N 3.27Å; L1435-I1438 PolarHBondContact O-N 3.25Å; I1438-L1440 VanDerWaalsContact C-N 3.33Å; I1438-L1440 PolarHBondContact O-N 2.91Å; I1438-L1441 WeakPolarHBondContact O-CB 3.25Å; I1438-L1441 PolarHBondContact O-N 2.89Å; I1438-V1442 HydrophobicContact CG2-CG2 4.38Å; I1438-V1442 VanDerWaalsContact O-CG2 3.26Å; I1438-V1442 WeakPolarHBondContact O-CG2 3.18Å; I1438-V1442 PolarHBondContact O-N 3.31Å; I1438-F1465 HydrophobicContact CG2-CZ 4.03Å; I1438-L1469 HydrophobicContact CG2-CD1 4.27Å
1439I76.8Confident72.1Confident0 Ų043.5 Ų43.50%021%0.211CC..Hα-helixtrans-60.1-43.6176.9-69.2165.5000110.5L1435 G1436 V1442 D1443 V1473 V1483 V1486 H1487 L1490L1435-I1439 HydrophobicContact CG-CD1 4.27Å; L1435-I1439 VanDerWaalsContact O-CG1 3.3Å; L1435-I1439 WeakPolarHBondContact O-CG1 2.96Å; L1435-I1439 PolarHBondContact O-N 3.04Å; G1436-I1439 PolarHBondContact O-N 3.45Å; I1439-V1442 PolarHBondContact O-N 2.98Å; I1439-D1443 WeakPolarHBondContact O-CB 3.34Å; I1439-D1443 PolarHBondContact O-N 2.98Å; I1439-V1473 HydrophobicContact CD1-CG2 4.43Å; I1439-V1483 HydrophobicContact CD1-CG1 3.8Å; I1439-V1486 HydrophobicContact CG2-CG1 3.83Å; I1439-H1487 HydrophobicContact CD1-CB 4.22Å; I1439-L1490 HydrophobicContact CG2-CB 4.26Å; I1439-L1490 HydrophobicContact CG2-CD2 3.77Å
1440L77.1Confident71.7Confident76 Ų7645.4 Ų45.440%0.39823%0.228SC..Hα-helixtrans-67.3-33.7176.9-70.3172.6000113.5K1403 G1436 T1437 I1438 H1444 V1486K1403-L1440 WeakPolarHBondContact CE-O 3.34Å; G1436-L1440 WeakPolarHBondContact O-CG 3.36Å; G1436-L1440 PolarHBondContact O-N 2.84Å; T1437-L1440 PolarHBondContact O-N 3.49Å; I1438-L1440 VanDerWaalsContact C-N 3.33Å; I1438-L1440 PolarHBondContact O-N 2.91Å; L1440-H1444 PolarHBondContact O-N 3.22Å; L1440-V1486 HydrophobicContact CD2-CG1 4.15Å
1441L77.4Confident71.4Confident2 Ų241.8 Ų41.81%0.0123%0.23CC..Hα-helixtrans-63.4-48.2172.7174.166.7000110.3L1399 K1403 V1406 L1422 T1437 I1438 H1444 W1445L1399-L1441 HydrophobicContact CD2-CD2 3.97Å; K1403-L1441 HydrophobicContact CB-CD1 3.66Å; K1403-L1441 HydrophobicContact CG-CD1 4.12Å; V1406-L1441 HydrophobicContact CG2-CD1 4.11Å; L1422-L1441 HydrophobicContact CD1-CD2 4.34Å; L1422-L1441 HydrophobicContact CD2-CD2 4.16Å; T1437-L1441 WeakPolarHBondContact O-CB 3.39Å; T1437-L1441 PolarHBondContact O-N 3.2Å; I1438-L1441 WeakPolarHBondContact O-CB 3.25Å; I1438-L1441 PolarHBondContact O-N 2.89Å; L1441-H1444 PolarHBondContact O-N 2.55Å; L1441-W1445 WeakPolarHBondContact O-CB 3.43Å; L1441-W1445 PolarHBondContact O-N 2.78Å
1442V76.6Confident70.4Confident0 Ų044 Ų440%025%0.249CC..Hα-helixtrans-65.7-42.3179.51730000111.7I1438 I1439 H1444 W1445 I1446 F1462 F1465 L1466 L1469 L1490I1438-V1442 HydrophobicContact CG2-CG2 4.38Å; I1438-V1442 VanDerWaalsContact O-CG2 3.26Å; I1438-V1442 WeakPolarHBondContact O-CG2 3.18Å; I1438-V1442 PolarHBondContact O-N 3.31Å; I1439-V1442 PolarHBondContact O-N 2.98Å; V1442-H1444 VanDerWaalsContact C-N 3.31Å; V1442-H1444 PolarHBondContact O-N 3.23Å; V1442-W1445 WeakPolarHBondContact O-CB 3.31Å; V1442-W1445 PolarHBondContact O-N 3.44Å; V1442-W1445 VanDerWaalsContact O-N 3.11Å; V1442-I1446 HydrophobicContact CG1-CD1 3.86Å; V1442-I1446 WeakPolarHBondContact O-CG1 3.36Å; V1442-I1446 PolarHBondContact O-N 3.21Å; V1442-F1462 HydrophobicContact CG1-CZ 4.27Å; V1442-F1465 HydrophobicContact CG2-CE1 3.75Å; V1442-F1465 HydrophobicContact CG2-CZ 4.4Å; V1442-L1466 HydrophobicContact CG1-CD2 3.56Å; V1442-L1469 HydrophobicContact CG2-CD2 4.41Å; V1442-L1490 HydrophobicContact CB-CD2 4.42Å; V1442-L1490 HydrophobicContact CG1-CD2 4.05Å
1443D75.5Confident68.6Low12 Ų1246.8 Ų46.86%0.06427%0.273CS..Hα-helixtrans-55.8-46.4174.7-176.328.5000111.5I1439 I1446 Q1447 L1490 R1493I1439-D1443 WeakPolarHBondContact O-CB 3.34Å; I1439-D1443 PolarHBondContact O-N 2.98Å; D1443-I1446 PolarHBondContact O-N 2.79Å; D1443-Q1447 VanDerWaalsContact CG-NE2 3.32Å; D1443-Q1447 WeakPolarHBondContact O-CG 3.45Å; D1443-Q1447 PolarHBondContact O-N 2.75Å; D1443-Q1447 PolarHBondContact OD1-NE2 3.13Å; D1443-Q1447 PolarHBondContact OD2-NE2 3.49Å; D1443-L1490 VanDerWaalsContact CA-CD1 3.47Å; D1443-L1490 HydrophobicContact CB-CD1 3.72Å; D1443-R1493 VanDerWaalsContact CG-CZ 3.5Å; D1443-R1493 IonicContact OD1-CZ 2.71Å; D1443-R1493 IonicContact OD1-NE 3.42Å; D1443-R1493 PolarHBondContact OD1-NE 2.72Å; D1443-R1493 IonicContact OD1-NH1 3.01Å; D1443-R1493 PolarHBondContact OD1-NH1 2.91Å; D1443-R1493 IonicContact OD1-NH2 3.47Å; D1443-R1493 IonicContact OD2-CZ 2.92Å; D1443-R1493 IonicContact OD2-NE 2.76Å; D1443-R1493 IonicContact OD2-NH1 2.75Å; D1443-R1493 PolarHBondContact OD2-NH1 2.74Å; D1443-R1493 VanDerWaalsContact OD2-NH1 3.16Å; D1443-R1493 IonicContact OD2-NH2 3.45Å; D1443-R1493 PolarHBondContact OD2-NH2 2.77Å
1444H74Confident67Low60 Ų6040.8 Ų40.828%0.27827%0.269SS..Hα-helixtrans-67.6-37.5176.2-168.166.1000112.4K1403 L1440 L1441 V1442 I1446 Q1447 V1448K1403-H1444 HydrophobicContact CD-CB 4.29Å; K1403-H1444 VanDerWaalsContact CE-CB 3.46Å; K1403-H1444 HydrophobicContact CG-CB 3.85Å; K1403-H1444 PolarHBondContact O-CD2 2.71Å; K1403-H1444 VanDerWaalsContact O-CD2 3.25Å; L1440-H1444 PolarHBondContact O-N 3.22Å; L1441-H1444 PolarHBondContact O-N 2.55Å; V1442-H1444 VanDerWaalsContact C-N 3.31Å; V1442-H1444 PolarHBondContact O-N 3.23Å; H1444-I1446 VanDerWaalsContact C-N 3.29Å; H1444-I1446 PolarHBondContact O-N 3.02Å; H1444-Q1447 PolarHBondContact O-N 2.77Å; H1444-V1448 VanDerWaalsContact O-CG2 3.3Å; H1444-V1448 WeakPolarHBondContact O-CG2 3.21Å; H1444-V1448 PolarHBondContact O-N 3.36Å
1445W75.7Confident65.4Low15 Ų1551.4 Ų51.46%0.05732%0.315CS..Hα-helixtrans-60-39.3176-150.3-22.2000111.9V1406 Q1414 L1417 V1418 L1422 L1441 V1442 T1449 F1462V1406-W1445 HydrophobicContact CG1-CB 4.27Å; V1406-W1445 HydrophobicContact CG1-CD2 3.74Å; V1406-W1445 HydrophobicContact CG1-CG 3.45Å; V1406-W1445 VanDerWaalsContact CG1-CG 3.45Å; V1406-W1445 HydrophobicContact CG1-CZ2 4.35Å; V1406-W1445 HydrophobicContact CG2-CD2 4.44Å; V1406-W1445 HydrophobicContact CG2-CG 4.48Å; Q1414-W1445 HydrophobicContact CB-CZ2 4.37Å; Q1414-W1445 HydrophobicContact CG-CZ2 4.14Å; L1417-W1445 HydrophobicContact CD2-CH2 4.28Å; L1417-W1445 HydrophobicContact CD2-CZ3 4.42Å; V1418-W1445 HydrophobicContact CG2-CH2 3.76Å; V1418-W1445 HydrophobicContact CG2-CZ3 4.1Å; L1422-W1445 HydrophobicContact CD1-CZ3 4.09Å; L1441-W1445 WeakPolarHBondContact O-CB 3.43Å; L1441-W1445 PolarHBondContact O-N 2.78Å; V1442-W1445 WeakPolarHBondContact O-CB 3.31Å; V1442-W1445 PolarHBondContact O-N 3.44Å; V1442-W1445 VanDerWaalsContact O-N 3.11Å; W1445-T1449 WeakPolarHBondContact O-CG2 3.47Å; W1445-T1449 PolarHBondContact O-N 3.06Å; W1445-T1449 PolarHBondContact O-OG1 3.39Å; W1445-F1462 HydrophobicContact CB-CZ 4.46Å; W1445-F1462 AromaticContact CD2-CE2 3.77Å; W1445-F1462 HydrophobicContact CD2-CE2 3.77Å; W1445-F1462 HydrophobicContact CD2-CZ 4.03Å; W1445-F1462 HydrophobicContact CE3-CD2 4.38Å; W1445-F1462 AromaticContact CE3-CE2 3.39Å; W1445-F1462 HydrophobicContact CE3-CE2 3.39Å; W1445-F1462 AromaticContact CE3-CZ 3.92Å; W1445-F1462 HydrophobicContact CE3-CZ 3.92Å; W1445-F1462 HydrophobicContact CG-CE2 4.47Å; W1445-F1462 HydrophobicContact CG-CZ 4.25Å; W1445-F1462 HydrophobicContact CH2-CD2 4.39Å; W1445-F1462 HydrophobicContact CH2-CE2 4.13Å; W1445-F1462 HydrophobicContact CZ2-CE2 4.46Å; W1445-F1462 HydrophobicContact CZ3-CD2 4.21Å; W1445-F1462 AromaticContact CZ3-CE2 3.57Å; W1445-F1462 HydrophobicContact CZ3-CE2 3.57Å
1446I72.1Confident63.9Low1 Ų154 Ų541%0.00535%0.347CS..Hα-helixtrans-69.6-41.5175.6-71.1155.6000111.6V1442 D1443 H1444 T1449 S1450 L1490 I1494 L1498V1442-I1446 HydrophobicContact CG1-CD1 3.86Å; V1442-I1446 WeakPolarHBondContact O-CG1 3.36Å; V1442-I1446 PolarHBondContact O-N 3.21Å; D1443-I1446 PolarHBondContact O-N 2.79Å; H1444-I1446 VanDerWaalsContact C-N 3.29Å; H1444-I1446 PolarHBondContact O-N 3.02Å; I1446-T1449 WeakPolarHBondContact CA-OG1 3.4Å; I1446-T1449 PolarHBondContact O-OG1 3.11Å; I1446-S1450 PolarHBondContact O-N 3.37Å; I1446-L1490 HydrophobicContact CD1-CD1 3.66Å; I1446-I1494 HydrophobicContact CD1-CD1 4.08Å; I1446-I1494 HydrophobicContact CD1-CG1 3.5Å; I1446-L1498 HydrophobicContact CG1-CD1 4.48Å; I1446-L1498 HydrophobicContact CG2-CD1 3.66Å
1447Q71.7Confident62.6Low73 Ų7362.5 Ų62.534%0.34138%0.382SS..Hα-helixtrans-62.2-45.2176.6-71167.221.700111.8D1443 H1444 S1450D1443-Q1447 VanDerWaalsContact CG-NE2 3.32Å; D1443-Q1447 WeakPolarHBondContact O-CG 3.45Å; D1443-Q1447 PolarHBondContact O-N 2.75Å; D1443-Q1447 PolarHBondContact OD1-NE2 3.13Å; D1443-Q1447 PolarHBondContact OD2-NE2 3.49Å; H1444-Q1447 PolarHBondContact O-N 2.77Å; Q1447-S1450 PolarHBondContact O-N 3.01Å; Q1447-S1450 PolarHBondContact O-OG 2.88Å
1448V67.1Low61.7Low41 Ų4162.7 Ų62.725%0.24838%0.382CS..Hα-helixtrans-68.2-36.6-177.7173.90000112.2Q1407 H1444 S1450 G1451Q1407-V1448 HydrophobicContact CB-CG1 4.19Å; Q1407-V1448 HydrophobicContact CG-CG1 4.25Å; H1444-V1448 VanDerWaalsContact O-CG2 3.3Å; H1444-V1448 WeakPolarHBondContact O-CG2 3.21Å; H1444-V1448 PolarHBondContact O-N 3.36Å; V1448-S1450 VanDerWaalsContact C-N 3.28Å; V1448-S1450 PolarHBondContact O-N 3.24Å; V1448-G1451 PolarHBondContact O-N 2.74Å
1449T62.8Low61Low64 Ų6465.6 Ų65.639%0.39340%0.4SS..Hα-helixtrans-69.2-23.8178.144.60000113.3W1445 I1446W1445-T1449 WeakPolarHBondContact O-CG2 3.47Å; W1445-T1449 PolarHBondContact O-N 3.06Å; W1445-T1449 PolarHBondContact O-OG1 3.39Å; I1446-T1449 WeakPolarHBondContact CA-OG1 3.4Å; I1446-T1449 PolarHBondContact O-OG1 3.11Å
1450S54.7Low60.6Low70 Ų7071.1 Ų71.149%0.4943%0.429SS..Hα-helixtrans-79.1-18.2179.371.70000115.2I1446 Q1447 V1448I1446-S1450 PolarHBondContact O-N 3.37Å; Q1447-S1450 PolarHBondContact O-N 3.01Å; Q1447-S1450 PolarHBondContact O-OG 2.88Å; V1448-S1450 VanDerWaalsContact C-N 3.28Å; V1448-S1450 PolarHBondContact O-N 3.24Å
1451G53.8Low60Low72 Ų7269.5 Ų69.574%0.74242%0.42SS*.THydrogen-bonded Turntrans-84.8-5.2-175.100000116.1V1448V1448-G1451 PolarHBondContact O-N 2.74Å
1452S46.7Very low59.9Low89 Ų8969.7 Ų69.762%0.62242%0.421SS*.SBendtrans-111.3111.1-1781700000111G1454S1452-G1454 PolarHBondContact O-N 2.73Å; S1452-G1454 VanDerWaalsContact O-N 3.14Å
1453V32.6Very low59.8Low155 Ų15571.1 Ų71.194%0.93943%0.428SS*.  trans-60110.7174.5177.90000110.4
1454G36.9Very low59.9Low59 Ų5973.5 Ų73.561%0.60844%0.44SS*.SBendtrans122.6106.1159.100000117.1S1452 G1456S1452-G1454 PolarHBondContact O-N 2.73Å; S1452-G1454 VanDerWaalsContact O-N 3.14Å; G1454-G1456 PolarHBondContact O-N 3.08Å
1455K39.9Very low60.2Low223 Ų22370.7 Ų70.797%0.9743%0.427SS*.  trans46.957.6154.4-61.9-173.4177.2-176.80117.8
1456G44.4Very low60.2Low72 Ų7270 Ų7074%0.74243%0.425SS*.  trans-106.494.2157.800000110.1G1454 L1458G1454-G1456 PolarHBondContact O-N 3.08Å; G1456-L1458 PolarHBondContact O-N 3.19Å
1457E46.9Very low60.6Low192 Ų19271.1 Ų71.190%0.89743%0.43SS*.PPolyproline II helixtrans-57.9123.4164.5-77.6178.7168.100108.2T1459E1457-T1459 PolarHBondContact O-N 3.2Å
1458L55.4Low60.9Low39 Ų3971.4 Ų71.420%0.20443%0.43CS..PPolyproline II helixtrans-57126.3165-76.1139.7000107.4G1456 L1460 F1462 Q1463 L1498G1456-L1458 PolarHBondContact O-N 3.19Å; L1458-L1460 PolarHBondContact O-N 2.68Å; L1458-F1462 HydrophobicContact CD2-CD1 3.48Å; L1458-F1462 VanDerWaalsContact CD2-CD1 3.48Å; L1458-F1462 HydrophobicContact CD2-CE1 3.76Å; L1458-F1462 HydrophobicContact CD2-CG 4.33Å; L1458-Q1463 HydrophobicContact CB-CG 4.49Å; L1458-L1498 HydrophobicContact CD1-CD2 3.15Å; L1458-L1498 HydrophobicContact CD1-CG 3.87Å
1459T62.8Low61.4Low62 Ų6269.5 Ų69.538%0.3842%0.419SS..PPolyproline II helixtrans-54.8140.5-178.153.50000110L1411 E1457 D1461 F1462 Q1463L1411-T1459 HydrophobicContact CD2-CG2 4.1Å; E1457-T1459 PolarHBondContact O-N 3.2Å; T1459-D1461 PolarHBondContact O-N 3.45Å; T1459-F1462 WeakPolarHBondContact O-CA 3.47Å; T1459-F1462 WeakPolarHBondContact O-CB 3.45Å; T1459-F1462 PolarHBondContact O-N 3.29Å; T1459-Q1463 PolarHBondContact O-N 3.33Å
1460L67.8Low62Low117 Ų11766.6 Ų66.661%0.61340%0.401SS*.Hα-helixtrans-49-38.2177.3-168.390.7000111.3L1458 F1462 Q1463 I1464L1458-L1460 PolarHBondContact O-N 2.68Å; L1460-F1462 VanDerWaalsContact C-N 3.29Å; L1460-F1462 PolarHBondContact O-N 3.08Å; L1460-Q1463 PolarHBondContact O-N 3.18Å; L1460-I1464 HydrophobicContact CD2-CD1 3.91Å; L1460-I1464 HydrophobicContact CG-CD1 3.97Å; L1460-I1464 VanDerWaalsContact O-CG1 3.27Å; L1460-I1464 WeakPolarHBondContact O-CG1 3.25Å; L1460-I1464 PolarHBondContact O-N 3.19Å
1461D66.6Low63.1Low42 Ų4265.4 Ų65.423%0.22539%0.389CS..Hα-helixtrans-56.8-37.3175.3-69-45.9000113.2K1415 Q1419 T1459 F1465K1415-D1461 VanDerWaalsContact CE-OD2 3.3Å; K1415-D1461 WeakPolarHBondContact CE-OD2 3.43Å; K1415-D1461 IonicContact NZ-OD1 3.2Å; K1415-D1461 IonicContact NZ-OD2 3.01Å; K1415-D1461 PolarHBondContact NZ-OD2 3.16Å; Q1419-D1461 PolarHBondContact NE2-OD1 3.38Å; T1459-D1461 PolarHBondContact O-N 3.45Å; D1461-F1465 WeakPolarHBondContact O-CB 3.25Å; D1461-F1465 PolarHBondContact O-N 2.66Å
1462F73.8Confident64.1Low5 Ų562.7 Ų62.72%0.02236%0.359CS..Hα-helixtrans-75.8-37.5177.3-167.9-99.3000112.2V1418 V1442 W1445 L1458 T1459 L1460 F1465 L1466V1418-F1462 HydrophobicContact CG2-CD2 4Å; V1442-F1462 HydrophobicContact CG1-CZ 4.27Å; W1445-F1462 HydrophobicContact CB-CZ 4.46Å; W1445-F1462 AromaticContact CD2-CE2 3.77Å; W1445-F1462 HydrophobicContact CD2-CE2 3.77Å; W1445-F1462 HydrophobicContact CD2-CZ 4.03Å; W1445-F1462 HydrophobicContact CE3-CD2 4.38Å; W1445-F1462 AromaticContact CE3-CE2 3.39Å; W1445-F1462 HydrophobicContact CE3-CE2 3.39Å; W1445-F1462 AromaticContact CE3-CZ 3.92Å; W1445-F1462 HydrophobicContact CE3-CZ 3.92Å; W1445-F1462 HydrophobicContact CG-CE2 4.47Å; W1445-F1462 HydrophobicContact CG-CZ 4.25Å; W1445-F1462 HydrophobicContact CH2-CD2 4.39Å; W1445-F1462 HydrophobicContact CH2-CE2 4.13Å; W1445-F1462 HydrophobicContact CZ2-CE2 4.46Å; W1445-F1462 HydrophobicContact CZ3-CD2 4.21Å; W1445-F1462 AromaticContact CZ3-CE2 3.57Å; W1445-F1462 HydrophobicContact CZ3-CE2 3.57Å; L1458-F1462 HydrophobicContact CD2-CD1 3.48Å; L1458-F1462 VanDerWaalsContact CD2-CD1 3.48Å; L1458-F1462 HydrophobicContact CD2-CE1 3.76Å; L1458-F1462 HydrophobicContact CD2-CG 4.33Å; T1459-F1462 WeakPolarHBondContact O-CA 3.47Å; T1459-F1462 WeakPolarHBondContact O-CB 3.45Å; T1459-F1462 PolarHBondContact O-N 3.29Å; L1460-F1462 VanDerWaalsContact C-N 3.29Å; L1460-F1462 PolarHBondContact O-N 3.08Å; F1462-F1465 HydrophobicContact CD2-CD1 4.47Å; F1462-F1465 HydrophobicContact CE2-CD1 4.36Å; F1462-F1465 PolarHBondContact O-N 3.11Å; F1462-L1466 HydrophobicContact CD1-CD1 3.93Å; F1462-L1466 HydrophobicContact CD1-CG 4.17Å; F1462-L1466 HydrophobicContact CE1-CD1 3.79Å; F1462-L1466 HydrophobicContact CE1-CD2 4.3Å; F1462-L1466 HydrophobicContact CE1-CG 3.99Å; F1462-L1466 WeakPolarHBondContact O-CG 3.49Å; F1462-L1466 PolarHBondContact O-N 3.17Å
1463Q74.8Confident65.2Low30 Ų3058.5 Ų58.514%0.1433%0.329CS..Hα-helixtrans-65.2-39.6173-63.6-166.819.800111.6L1458 T1459 L1460 F1465 L1466 L1467 L1505L1458-Q1463 HydrophobicContact CB-CG 4.49Å; T1459-Q1463 PolarHBondContact O-N 3.33Å; L1460-Q1463 PolarHBondContact O-N 3.18Å; Q1463-F1465 VanDerWaalsContact C-N 3.34Å; Q1463-L1466 PolarHBondContact O-N 3.5Å; Q1463-L1467 PolarHBondContact O-N 3.4Å; Q1463-L1505 HydrophobicContact CB-CD2 4.12Å
1464I77.1Confident66.9Low62 Ų6253.7 Ų53.732%0.31830%0.298SS..Hα-helixtrans-63.4-40.7173.3-67.5164.8000110.8L1460 L1467 K1468L1460-I1464 HydrophobicContact CD2-CD1 3.91Å; L1460-I1464 HydrophobicContact CG-CD1 3.97Å; L1460-I1464 VanDerWaalsContact O-CG1 3.27Å; L1460-I1464 WeakPolarHBondContact O-CG1 3.25Å; L1460-I1464 PolarHBondContact O-N 3.19Å; I1464-L1467 WeakPolarHBondContact O-CB 3.28Å; I1464-L1467 PolarHBondContact O-N 2.93Å; I1464-K1468 WeakPolarHBondContact O-CG 3.27Å; I1464-K1468 PolarHBondContact O-N 3.14Å
1465F81.6Confident68.6Low1 Ų158.6 Ų58.60%0.00431%0.305CS..Hα-helixtrans-63.4-44173.8168.3-100.8000112.3V1418 L1422 V1426 I1438 V1442 D1461 F1462 Q1463 L1467 K1468 L1469V1418-F1465 HydrophobicContact CG1-CB 3.68Å; V1418-F1465 HydrophobicContact CG1-CG 4.06Å; L1422-F1465 HydrophobicContact CB-CD2 4.2Å; L1422-F1465 HydrophobicContact CB-CE2 3.55Å; L1422-F1465 HydrophobicContact CB-CZ 3.81Å; L1422-F1465 HydrophobicContact CD1-CE1 4.49Å; L1422-F1465 HydrophobicContact CD1-CZ 4.31Å; V1426-F1465 HydrophobicContact CB-CE2 4.46Å; V1426-F1465 HydrophobicContact CG2-CE2 3.7Å; V1426-F1465 HydrophobicContact CG2-CZ 4.17Å; I1438-F1465 HydrophobicContact CG2-CZ 4.03Å; V1442-F1465 HydrophobicContact CG2-CE1 3.75Å; V1442-F1465 HydrophobicContact CG2-CZ 4.4Å; D1461-F1465 WeakPolarHBondContact O-CB 3.25Å; D1461-F1465 PolarHBondContact O-N 2.66Å; F1462-F1465 HydrophobicContact CD2-CD1 4.47Å; F1462-F1465 HydrophobicContact CE2-CD1 4.36Å; F1462-F1465 PolarHBondContact O-N 3.11Å; Q1463-F1465 VanDerWaalsContact C-N 3.34Å; F1465-L1467 VanDerWaalsContact C-N 3.29Å; F1465-L1467 PolarHBondContact O-N 3.11Å; F1465-K1468 PolarHBondContact O-N 3.37Å; F1465-K1468 VanDerWaalsContact O-N 3.17Å; F1465-L1469 HydrophobicContact CE1-CD2 4.46Å; F1465-L1469 WeakPolarHBondContact O-CB 3.48Å; F1465-L1469 PolarHBondContact O-N 3.37Å
1466L75.4Confident70Confident2 Ų252.6 Ų52.61%0.0128%0.279CS..Hα-helixtrans-59-41.5174.3-74.2175000111.5V1442 F1462 Q1463 K1468 L1469 V1470 I1494 L1505V1442-L1466 HydrophobicContact CG1-CD2 3.56Å; F1462-L1466 HydrophobicContact CD1-CD1 3.93Å; F1462-L1466 HydrophobicContact CD1-CG 4.17Å; F1462-L1466 HydrophobicContact CE1-CD1 3.79Å; F1462-L1466 HydrophobicContact CE1-CD2 4.3Å; F1462-L1466 HydrophobicContact CE1-CG 3.99Å; F1462-L1466 WeakPolarHBondContact O-CG 3.49Å; F1462-L1466 PolarHBondContact O-N 3.17Å; Q1463-L1466 PolarHBondContact O-N 3.5Å; L1466-K1468 PolarHBondContact O-N 3.47Å; L1466-L1469 PolarHBondContact O-N 3.34Å; L1466-V1470 VanDerWaalsContact O-CG2 3.3Å; L1466-V1470 WeakPolarHBondContact O-CG2 3.03Å; L1466-V1470 PolarHBondContact O-N 3.2Å; L1466-I1494 HydrophobicContact CD2-CD1 4.43Å; L1466-L1505 HydrophobicContact CB-CD1 4.11Å; L1466-L1505 HydrophobicContact CB-CD2 4.1Å; L1466-L1505 HydrophobicContact CD1-CD2 4.4Å
1467L79.4Confident71Confident24 Ų2449.7 Ų49.713%0.12625%0.246CC..Hα-helixtrans-60.2-45.7174.6-177.169.3000111.4Q1463 I1464 F1465 N1471 M1502 L1505 K1508Q1463-L1467 PolarHBondContact O-N 3.4Å; I1464-L1467 WeakPolarHBondContact O-CB 3.28Å; I1464-L1467 PolarHBondContact O-N 2.93Å; F1465-L1467 VanDerWaalsContact C-N 3.29Å; F1465-L1467 PolarHBondContact O-N 3.11Å; L1467-N1471 WeakPolarHBondContact O-CB 3.49Å; L1467-N1471 PolarHBondContact O-N 3.31Å; L1467-N1471 PolarHBondContact O-ND2 2.84Å; L1467-M1502 HydrophobicContact CD2-CE 3.8Å; L1467-L1505 HydrophobicContact CB-CD1 4.08Å; L1467-L1505 HydrophobicContact CD1-CB 4.41Å; L1467-L1505 HydrophobicContact CD1-CD1 4.28Å; L1467-K1508 HydrophobicContact CD1-CB 4.21Å; L1467-K1508 HydrophobicContact CD1-CG 3.85Å
1468K78.4Confident71.9Confident78 Ų7844.4 Ų44.434%0.33923%0.229SC..Hα-helixtrans-64.6-37.4175.6-72.8-175.3176.7-166.50112.6T1423 E1427 I1464 F1465 L1466 C1472T1423-K1468 HydrophobicContact CG2-CD 3.82Å; E1427-K1468 IonicContact OE1-NZ 3.93Å; E1427-K1468 PolarHBondContact OE1-NZ 3.35Å; I1464-K1468 WeakPolarHBondContact O-CG 3.27Å; I1464-K1468 PolarHBondContact O-N 3.14Å; F1465-K1468 PolarHBondContact O-N 3.37Å; F1465-K1468 VanDerWaalsContact O-N 3.17Å; L1466-K1468 PolarHBondContact O-N 3.47Å; K1468-C1472 WeakPolarHBondContact O-CB 3.47Å; K1468-C1472 PolarHBondContact O-N 3.13Å
1469L78.9Confident72.2Confident2 Ų245.8 Ų45.81%0.0123%0.233CC..Hα-helixtrans-65.2-49.1177.6-177.370.4000111.2V1426 L1435 I1438 V1442 F1465 L1466 C1472 V1473V1426-L1469 HydrophobicContact CG2-CD1 3.82Å; L1435-L1469 HydrophobicContact CD1-CD1 3.76Å; I1438-L1469 HydrophobicContact CG2-CD1 4.27Å; V1442-L1469 HydrophobicContact CG2-CD2 4.41Å; F1465-L1469 HydrophobicContact CE1-CD2 4.46Å; F1465-L1469 WeakPolarHBondContact O-CB 3.48Å; F1465-L1469 PolarHBondContact O-N 3.37Å; L1466-L1469 PolarHBondContact O-N 3.34Å; L1469-C1472 PolarHBondContact O-N 3.35Å; L1469-V1473 WeakPolarHBondContact O-CB 3.49Å; L1469-V1473 VanDerWaalsContact O-CG2 3.25Å; L1469-V1473 WeakPolarHBondContact O-CG2 3.41Å; L1469-V1473 PolarHBondContact O-N 2.85Å
1470V74.9Confident72Confident2 Ų248.5 Ų48.51%0.01225%0.245CC..Hα-helixtrans-59.9-49.3176.8175.60000110.1L1466 C1472 V1473 D1474 K1508 A1512L1466-V1470 VanDerWaalsContact O-CG2 3.3Å; L1466-V1470 WeakPolarHBondContact O-CG2 3.03Å; L1466-V1470 PolarHBondContact O-N 3.2Å; V1470-C1472 PolarHBondContact O-N 3.29Å; V1470-V1473 PolarHBondContact O-N 3.2Å; V1470-D1474 WeakPolarHBondContact O-CB 3.16Å; V1470-D1474 PolarHBondContact O-N 3.24Å; V1470-K1508 HydrophobicContact CG1-CB 4.2Å; V1470-A1512 HydrophobicContact CG1-CB 4.35Å
1471N77.1Confident72.1Confident45 Ų4544 Ų4424%0.24122%0.224CC..Hα-helixtrans-60.2-41.3178.1-77.5-21.5000113.1L1467 D1474 Q1475 K1508L1467-N1471 WeakPolarHBondContact O-CB 3.49Å; L1467-N1471 PolarHBondContact O-N 3.31Å; L1467-N1471 PolarHBondContact O-ND2 2.84Å; N1471-D1474 PolarHBondContact O-N 3.14Å; N1471-Q1475 WeakPolarHBondContact O-CB 3.17Å; N1471-Q1475 WeakPolarHBondContact O-CG 3.37Å; N1471-Q1475 PolarHBondContact O-N 3.36Å; N1471-K1508 WeakPolarHBondContact OD1-CE 3.36Å
1472C74Confident72.2Confident16 Ų1647.8 Ų47.811%0.10824%0.24CC..Hα-helixtrans-66.9-42178.5-177.10000111.7V1426 K1468 L1469 V1470 D1474 Q1475 K1476V1426-C1472 HydrophobicContact CG1-CB 3.54Å; V1426-C1472 PolarHBondContact O-SG 3.32Å; K1468-C1472 WeakPolarHBondContact O-CB 3.47Å; K1468-C1472 PolarHBondContact O-N 3.13Å; L1469-C1472 PolarHBondContact O-N 3.35Å; V1470-C1472 PolarHBondContact O-N 3.29Å; C1472-D1474 VanDerWaalsContact C-N 3.35Å; C1472-Q1475 PolarHBondContact O-N 3.1Å; C1472-K1476 WeakPolarHBondContact O-CB 3.34Å; C1472-K1476 PolarHBondContact O-N 3.04Å
1473V71.4Confident72Confident0 Ų048.7 Ų48.70%025%0.246CC..Hα-helixtrans-61.5-45.1175.7169.60000110.5L1435 I1439 L1469 V1470 I1477 R1484 H1487L1435-V1473 HydrophobicContact CD2-CG2 4.15Å; I1439-V1473 HydrophobicContact CD1-CG2 4.43Å; L1469-V1473 WeakPolarHBondContact O-CB 3.49Å; L1469-V1473 VanDerWaalsContact O-CG2 3.25Å; L1469-V1473 WeakPolarHBondContact O-CG2 3.41Å; L1469-V1473 PolarHBondContact O-N 2.85Å; V1470-V1473 PolarHBondContact O-N 3.2Å; V1473-I1477 HydrophobicContact CB-CD1 4.18Å; V1473-I1477 HydrophobicContact CG1-CD1 3.89Å; V1473-I1477 HydrophobicContact CG2-CD1 4.01Å; V1473-I1477 PolarHBondContact O-N 3.49Å; V1473-R1484 PolarHBondContact O-NH2 2.99Å; V1473-H1487 HydrophobicContact CG1-CB 4.23Å
1474D68.2Low72Confident54 Ų5447.3 Ų47.329%0.28924%0.24SC..Hα-helixtrans-64.1-41.2-179.4-74.5-20.5000112.5V1470 N1471 C1472 R1484V1470-D1474 WeakPolarHBondContact O-CB 3.16Å; V1470-D1474 PolarHBondContact O-N 3.24Å; N1471-D1474 PolarHBondContact O-N 3.14Å; C1472-D1474 VanDerWaalsContact C-N 3.35Å; D1474-R1484 PolarHBondContact O-NH2 3.31Å
1475Q71.1Confident71.9Confident163 Ų16348.1 Ų48.176%0.76224%0.241SC*.Hα-helixtrans-81.8-38.6-177-70.3-179.9-1.100114.6N1471 C1472N1471-Q1475 WeakPolarHBondContact O-CB 3.17Å; N1471-Q1475 WeakPolarHBondContact O-CG 3.37Å; N1471-Q1475 PolarHBondContact O-N 3.36Å; C1472-Q1475 PolarHBondContact O-N 3.1Å
1476K69.2Low71.5Confident97 Ų9750.6 Ų50.642%0.42226%0.256SS..Hα-helixtrans-102.5-21.4-166.9-64.2-170.2-177.31750115.4E1427 C1472E1427-K1476 PolarHBondContact O-NZ 2.98Å; C1472-K1476 WeakPolarHBondContact O-CB 3.34Å; C1472-K1476 PolarHBondContact O-N 3.04Å
1477I65.9Low71.7Confident10 Ų1050.6 Ų50.65%0.05126%0.256CS..SBendtrans-100.2135.8-174.2-49.8-178.4000110.5F1432 L1435 V1473 S1481 V1483 R1484F1432-I1477 HydrophobicContact CD1-CG1 4.2Å; F1432-I1477 HydrophobicContact CE1-CG1 4.18Å; L1435-I1477 HydrophobicContact CD2-CD1 3.34Å; L1435-I1477 HydrophobicContact CD2-CG1 4.11Å; V1473-I1477 HydrophobicContact CB-CD1 4.18Å; V1473-I1477 HydrophobicContact CG1-CD1 3.89Å; V1473-I1477 HydrophobicContact CG2-CD1 4.01Å; V1473-I1477 PolarHBondContact O-N 3.49Å; I1477-S1481 VanDerWaalsContact CG2-CB 3.41Å; I1477-V1483 HydrophobicContact CD1-CG1 4.08Å; I1477-R1484 PolarHBondContact O-NH2 3.45Å
1478P65.4Low71.7Confident81 Ų8149.9 Ų49.953%0.52625%0.251SS..  trans-67146.6170.323.8-30.4000112D1480 S1481P1478-D1480 VanDerWaalsContact C-N 3.26Å; P1478-D1480 PolarHBondContact O-N 3.29Å; P1478-S1481 VanDerWaalsContact O-CB 3.31Å; P1478-S1481 WeakPolarHBondContact O-CB 3.25Å; P1478-S1481 PolarHBondContact O-N 2.93Å; P1478-S1481 VanDerWaalsContact O-N 3.13Å
1479F62.7Low71.7Confident68 Ų6847.3 Ų47.330%0.29824%0.243SC..THydrogen-bonded Turntrans-55-34.7-175.2-87-87.4000114.7S1481 R1484 A1515 P1558 Y1559F1479-S1481 VanDerWaalsContact C-N 3.29Å; F1479-S1481 PolarHBondContact O-N 2.81Å; F1479-R1484 VanDerWaalsContact CA-NH1 3.32Å; F1479-R1484 VanDerWaalsContact CE1-NH1 3.32Å; F1479-R1484 VanDerWaalsContact CE2-NH1 3.28Å; F1479-A1515 HydrophobicContact CE1-CB 4.19Å; F1479-P1558 HydrophobicContact CE2-CG 4.16Å; F1479-P1558 HydrophobicContact CZ-CG 4.5Å; F1479-Y1559 WeakPolarHBondContact CB-OH 3.37Å; F1479-Y1559 AromaticContact CD1-CE2 3.88Å; F1479-Y1559 HydrophobicContact CD1-CE2 3.88Å; F1479-Y1559 HydrophobicContact CD2-CE2 4.26Å; F1479-Y1559 HydrophobicContact CE1-CE2 4.13Å; F1479-Y1559 HydrophobicContact CE2-CE2 4.5Å; F1479-Y1559 AromaticContact CG-CE2 3.95Å; F1479-Y1559 HydrophobicContact CG-CE2 3.95Å; F1479-Y1559 HydrophobicContact CZ-CE2 4.44Å
1480D58.1Low71.6Confident119 Ų11947.3 Ų47.364%0.63624%0.243SC*.THydrogen-bonded Turntrans-84.84.6-176.2-61.9-32.3000114.1P1478P1478-D1480 VanDerWaalsContact C-N 3.26Å; P1478-D1480 PolarHBondContact O-N 3.29Å
1481S69.8Low71.8Confident24 Ų2447.2 Ų47.217%0.16824%0.243CC..  trans-69.6133.4179.9177.40000111.9I1477 P1478 F1479 V1483 R1484 K1485I1477-S1481 VanDerWaalsContact CG2-CB 3.41Å; P1478-S1481 VanDerWaalsContact O-CB 3.31Å; P1478-S1481 WeakPolarHBondContact O-CB 3.25Å; P1478-S1481 PolarHBondContact O-N 2.93Å; P1478-S1481 VanDerWaalsContact O-N 3.13Å; F1479-S1481 VanDerWaalsContact C-N 3.29Å; F1479-S1481 PolarHBondContact O-N 2.81Å; S1481-V1483 PolarHBondContact O-N 3.36Å; S1481-V1483 VanDerWaalsContact O-N 3.12Å; S1481-V1483 PolarHBondContact OG-N 3.43Å; S1481-R1484 WeakPolarHBondContact O-CA 3.33Å; S1481-R1484 WeakPolarHBondContact O-CB 3.48Å; S1481-R1484 PolarHBondContact O-N 2.95Å; S1481-K1485 PolarHBondContact O-N 2.95Å
1482E69.5Low71.8Confident121 Ų12146 Ų4657%0.56524%0.235SC*.Hα-helixtrans-52.2-32.9170.5-71.9-63.7144.200112.6R1484 K1485 V1486E1482-R1484 PolarHBondContact O-N 2.82Å; E1482-K1485 WeakPolarHBondContact O-CB 3.43Å; E1482-K1485 PolarHBondContact O-N 3.37Å; E1482-K1485 IonicContact OE1-NZ 3.85Å; E1482-K1485 PolarHBondContact OE1-NZ 3.33Å; E1482-K1485 IonicContact OE2-NZ 2.9Å; E1482-V1486 PolarHBondContact O-N 2.94Å
1483V69.9Low71.8Confident24 Ų2448.1 Ų48.115%0.14524%0.241CC..Hα-helixtrans-63.1-32177.1-177.70000111.5F1432 I1439 I1477 S1481 H1487F1432-V1483 HydrophobicContact CB-CG2 4.41Å; I1439-V1483 HydrophobicContact CD1-CG1 3.8Å; I1477-V1483 HydrophobicContact CD1-CG1 4.08Å; S1481-V1483 PolarHBondContact O-N 3.36Å; S1481-V1483 VanDerWaalsContact O-N 3.12Å; S1481-V1483 PolarHBondContact OG-N 3.43Å; V1483-H1487 PolarHBondContact O-N 3.48Å
1484R74.3Confident72Confident1 Ų148.4 Ų48.40%0.00424%0.243CC..Hα-helixtrans-76.4-30.7179-169.1172-87.1-159.1-8.2112.2V1473 D1474 I1477 F1479 S1481 E1482 H1487 Y1488V1473-R1484 PolarHBondContact O-NH2 2.99Å; D1474-R1484 PolarHBondContact O-NH2 3.31Å; I1477-R1484 PolarHBondContact O-NH2 3.45Å; F1479-R1484 VanDerWaalsContact CA-NH1 3.32Å; F1479-R1484 VanDerWaalsContact CE1-NH1 3.32Å; F1479-R1484 VanDerWaalsContact CE2-NH1 3.28Å; S1481-R1484 WeakPolarHBondContact O-CA 3.33Å; S1481-R1484 WeakPolarHBondContact O-CB 3.48Å; S1481-R1484 PolarHBondContact O-N 2.95Å; E1482-R1484 PolarHBondContact O-N 2.82Å; R1484-H1487 WeakPolarHBondContact O-CB 3.25Å; R1484-H1487 PolarHBondContact O-N 3.33Å; R1484-Y1488 WeakPolarHBondContact CD-OH 3.15Å; R1484-Y1488 HydrophobicContact CG-CD2 4.25Å; R1484-Y1488 HydrophobicContact CG-CE1 4.39Å; R1484-Y1488 HydrophobicContact CG-CE2 3.61Å; R1484-Y1488 VanDerWaalsContact O-CD2 3.25Å; R1484-Y1488 WeakPolarHBondContact O-CD2 3.29Å; R1484-Y1488 PolarHBondContact O-N 2.87Å
1485K74.2Confident72.3Confident79 Ų7948 Ų4834%0.34324%0.239SC..Hα-helixtrans-61.3-47169.2-63.8-179.5-176.7168.30111.4S1481 E1482 H1487 Y1488 S1489 L1524S1481-K1485 PolarHBondContact O-N 2.95Å; E1482-K1485 WeakPolarHBondContact O-CB 3.43Å; E1482-K1485 PolarHBondContact O-N 3.37Å; E1482-K1485 IonicContact OE1-NZ 3.85Å; E1482-K1485 PolarHBondContact OE1-NZ 3.33Å; E1482-K1485 IonicContact OE2-NZ 2.9Å; K1485-H1487 VanDerWaalsContact C-N 3.27Å; K1485-H1487 PolarHBondContact O-N 2.91Å; K1485-Y1488 PolarHBondContact O-N 2.9Å; K1485-S1489 PolarHBondContact O-N 3.44Å; K1485-L1524 HydrophobicContact CB-CD1 4.24Å
1486V74.8Confident72.5Confident52 Ų5246 Ų4632%0.31522%0.224SC..Hα-helixtrans-61.2-40.2175.7-176.30000110.4I1439 L1440 E1482 S1489 L1490I1439-V1486 HydrophobicContact CG2-CG1 3.83Å; L1440-V1486 HydrophobicContact CD2-CG1 4.15Å; E1482-V1486 PolarHBondContact O-N 2.94Å; V1486-S1489 PolarHBondContact O-N 3.45Å; V1486-S1489 PolarHBondContact O-OG 3.12Å; V1486-L1490 PolarHBondContact O-N 3.36Å
1487H78.6Confident72.5Confident2 Ų246.7 Ų46.71%0.00923%0.225CC..Hα-helixtrans-59-46.8172.5177.373.9000112.9I1439 V1473 V1483 R1484 K1485 S1489 L1490 V1491I1439-H1487 HydrophobicContact CD1-CB 4.22Å; V1473-H1487 HydrophobicContact CG1-CB 4.23Å; V1483-H1487 PolarHBondContact O-N 3.48Å; R1484-H1487 WeakPolarHBondContact O-CB 3.25Å; R1484-H1487 PolarHBondContact O-N 3.33Å; K1485-H1487 VanDerWaalsContact C-N 3.27Å; K1485-H1487 PolarHBondContact O-N 2.91Å; H1487-S1489 VanDerWaalsContact C-N 3.32Å; H1487-S1489 PolarHBondContact O-N 3.05Å; H1487-L1490 WeakPolarHBondContact O-CA 3.34Å; H1487-L1490 VanDerWaalsContact O-CB 3.29Å; H1487-L1490 WeakPolarHBondContact O-CB 3.3Å; H1487-L1490 PolarHBondContact O-N 3.03Å; H1487-V1491 WeakPolarHBondContact NE2-CG2 3.48Å; H1487-V1491 WeakPolarHBondContact O-CG2 3.24Å; H1487-V1491 PolarHBondContact O-N 3.43Å
1488Y78.9Confident72.6Confident9 Ų947.2 Ų47.24%0.03523%0.227CC..Hα-helixtrans-62.6-37.8177.8-65.9-43.8000112.7R1484 K1485 L1490 V1491 E1492 A1512 A1515R1484-Y1488 WeakPolarHBondContact CD-OH 3.15Å; R1484-Y1488 HydrophobicContact CG-CD2 4.25Å; R1484-Y1488 HydrophobicContact CG-CE1 4.39Å; R1484-Y1488 HydrophobicContact CG-CE2 3.61Å; R1484-Y1488 VanDerWaalsContact O-CD2 3.25Å; R1484-Y1488 WeakPolarHBondContact O-CD2 3.29Å; R1484-Y1488 PolarHBondContact O-N 2.87Å; K1485-Y1488 PolarHBondContact O-N 2.9Å; Y1488-L1490 PolarHBondContact O-N 2.96Å; Y1488-V1491 PolarHBondContact O-N 2.86Å; Y1488-E1492 WeakPolarHBondContact O-CB 3.5Å; Y1488-E1492 PolarHBondContact O-N 3.35Å; Y1488-A1512 VanDerWaalsContact CE1-O 3.23Å; Y1488-A1512 WeakPolarHBondContact CE1-O 3.28Å; Y1488-A1515 HydrophobicContact CE1-CB 4.32Å
1489S78.6Confident72.5Confident24 Ų2449.5 Ų49.517%0.16824%0.243CC..Hα-helixtrans-64.2-29.2172.9820000113.1K1485 V1486 H1487 R1493K1485-S1489 PolarHBondContact O-N 3.44Å; V1486-S1489 PolarHBondContact O-N 3.45Å; V1486-S1489 PolarHBondContact O-OG 3.12Å; H1487-S1489 VanDerWaalsContact C-N 3.32Å; H1487-S1489 PolarHBondContact O-N 3.05Å; S1489-R1493 WeakPolarHBondContact O-CG 3.4Å; S1489-R1493 PolarHBondContact O-N 2.96Å; S1489-R1493 PolarHBondContact O-NE 2.92Å; S1489-R1493 VanDerWaalsContact O-NE 3.08Å; S1489-R1493 PolarHBondContact OG-NH2 2.71Å
1490L77.6Confident72.7Confident2 Ų249.8 Ų49.81%0.0126%0.264CS..Hα-helixtrans-73.2-46.4173.1173.661.2000110.3I1439 V1442 D1443 I1446 V1486 H1487 Y1488 E1492 R1493 I1494I1439-L1490 HydrophobicContact CG2-CB 4.26Å; I1439-L1490 HydrophobicContact CG2-CD2 3.77Å; V1442-L1490 HydrophobicContact CB-CD2 4.42Å; V1442-L1490 HydrophobicContact CG1-CD2 4.05Å; D1443-L1490 VanDerWaalsContact CA-CD1 3.47Å; D1443-L1490 HydrophobicContact CB-CD1 3.72Å; I1446-L1490 HydrophobicContact CD1-CD1 3.66Å; V1486-L1490 PolarHBondContact O-N 3.36Å; H1487-L1490 WeakPolarHBondContact O-CA 3.34Å; H1487-L1490 VanDerWaalsContact O-CB 3.29Å; H1487-L1490 WeakPolarHBondContact O-CB 3.3Å; H1487-L1490 PolarHBondContact O-N 3.03Å; Y1488-L1490 PolarHBondContact O-N 2.96Å; L1490-E1492 VanDerWaalsContact C-N 3.33Å; L1490-E1492 PolarHBondContact O-N 3.34Å; L1490-R1493 CarbonylContact O-C 3.49Å; L1490-R1493 PolarHBondContact O-N 3Å; L1490-R1493 VanDerWaalsContact O-N 3.08Å; L1490-I1494 HydrophobicContact CD1-CD1 4.2Å; L1490-I1494 HydrophobicContact CD1-CG1 4.19Å; L1490-I1494 HydrophobicContact CD2-CD1 4.42Å; L1490-I1494 HydrophobicContact CG-CD1 3.84Å; L1490-I1494 HydrophobicContact CG-CG1 4.31Å; L1490-I1494 WeakPolarHBondContact O-CG1 3.26Å; L1490-I1494 PolarHBondContact O-N 3.33Å
1491V78.3Confident73.3Confident0 Ų045.1 Ų45.10%024%0.239CC..Hα-helixtrans-59.7-43.6177.8174.90000111.1H1487 Y1488 R1493 I1494 K1495 V1509 A1512 I1513H1487-V1491 WeakPolarHBondContact NE2-CG2 3.48Å; H1487-V1491 WeakPolarHBondContact O-CG2 3.24Å; H1487-V1491 PolarHBondContact O-N 3.43Å; Y1488-V1491 PolarHBondContact O-N 2.86Å; V1491-R1493 VanDerWaalsContact C-N 3.27Å; V1491-R1493 PolarHBondContact O-N 3.4Å; V1491-I1494 PolarHBondContact O-N 3.28Å; V1491-K1495 PolarHBondContact O-N 3.4Å; V1491-K1495 VanDerWaalsContact O-N 3.07Å; V1491-V1509 HydrophobicContact CG1-CG1 3.95Å; V1491-A1512 HydrophobicContact CG1-CB 4.08Å; V1491-A1512 HydrophobicContact CG2-CB 4.18Å; V1491-I1513 HydrophobicContact CG1-CD1 4.31Å; V1491-I1513 HydrophobicContact CG1-CG1 3.57Å
1492E77.1Confident73.5Confident19 Ų1946.5 Ų46.59%0.08924%0.244CC..Hα-helixtrans-53-45.5172.4-170.1-161.9143.900111.4Y1488 L1490 R1496 L1528 I1531Y1488-E1492 WeakPolarHBondContact O-CB 3.5Å; Y1488-E1492 PolarHBondContact O-N 3.35Å; L1490-E1492 VanDerWaalsContact C-N 3.33Å; L1490-E1492 PolarHBondContact O-N 3.34Å; E1492-R1496 WeakPolarHBondContact O-CB 3.39Å; E1492-R1496 PolarHBondContact O-N 3.25Å; E1492-R1496 VanDerWaalsContact O-N 3.1Å; E1492-R1496 IonicContact OE1-CZ 2.59Å; E1492-R1496 IonicContact OE1-NH1 3.44Å; E1492-R1496 PolarHBondContact OE1-NH1 3.38Å; E1492-R1496 IonicContact OE1-NH2 2.71Å; E1492-R1496 PolarHBondContact OE1-NH2 2.98Å; E1492-L1528 HydrophobicContact CB-CD2 3.9Å; E1492-L1528 HydrophobicContact CG-CD2 4.16Å; E1492-I1531 HydrophobicContact CB-CD1 4.44Å; E1492-I1531 HydrophobicContact CG-CD1 3.35Å
1493R75.1Confident73.7Confident62 Ų6245.8 Ų45.823%0.23425%0.247CC..Hα-helixtrans-74-38.6179.9-75.1-175-92-171.76.1113D1443 S1489 L1490 V1491 K1495 R1496 Y1497D1443-R1493 VanDerWaalsContact CG-CZ 3.5Å; D1443-R1493 IonicContact OD1-CZ 2.71Å; D1443-R1493 IonicContact OD1-NE 3.42Å; D1443-R1493 PolarHBondContact OD1-NE 2.72Å; D1443-R1493 IonicContact OD1-NH1 3.01Å; D1443-R1493 PolarHBondContact OD1-NH1 2.91Å; D1443-R1493 IonicContact OD1-NH2 3.47Å; D1443-R1493 IonicContact OD2-CZ 2.92Å; D1443-R1493 IonicContact OD2-NE 2.76Å; D1443-R1493 IonicContact OD2-NH1 2.75Å; D1443-R1493 PolarHBondContact OD2-NH1 2.74Å; D1443-R1493 VanDerWaalsContact OD2-NH1 3.16Å; D1443-R1493 IonicContact OD2-NH2 3.45Å; D1443-R1493 PolarHBondContact OD2-NH2 2.77Å; S1489-R1493 WeakPolarHBondContact O-CG 3.4Å; S1489-R1493 PolarHBondContact O-N 2.96Å; S1489-R1493 PolarHBondContact O-NE 2.92Å; S1489-R1493 VanDerWaalsContact O-NE 3.08Å; S1489-R1493 PolarHBondContact OG-NH2 2.71Å; L1490-R1493 CarbonylContact O-C 3.49Å; L1490-R1493 PolarHBondContact O-N 3Å; L1490-R1493 VanDerWaalsContact O-N 3.08Å; V1491-R1493 VanDerWaalsContact C-N 3.27Å; V1491-R1493 PolarHBondContact O-N 3.4Å; R1493-K1495 VanDerWaalsContact C-N 3.31Å; R1493-K1495 PolarHBondContact O-N 3.21Å; R1493-R1496 PolarHBondContact O-N 3.39Å; R1493-Y1497 HydrophobicContact CB-CD2 3.97Å; R1493-Y1497 HydrophobicContact CB-CE2 4.05Å; R1493-Y1497 HydrophobicContact CG-CD2 4.34Å; R1493-Y1497 HydrophobicContact CG-CE2 3.9Å; R1493-Y1497 WeakPolarHBondContact O-CB 3.04Å; R1493-Y1497 WeakPolarHBondContact O-CD2 3.5Å; R1493-Y1497 PolarHBondContact O-N 3.06Å
1494I76Confident73.8Confident5 Ų550.5 Ų50.53%0.02627%0.268CS..Hα-helixtrans-54.9-49.9173.9-71.5165.9000109.6I1446 L1466 L1490 V1491 L1498 L1501 V1509I1446-I1494 HydrophobicContact CD1-CD1 4.08Å; I1446-I1494 HydrophobicContact CD1-CG1 3.5Å; L1466-I1494 HydrophobicContact CD2-CD1 4.43Å; L1490-I1494 HydrophobicContact CD1-CD1 4.2Å; L1490-I1494 HydrophobicContact CD1-CG1 4.19Å; L1490-I1494 HydrophobicContact CD2-CD1 4.42Å; L1490-I1494 HydrophobicContact CG-CD1 3.84Å; L1490-I1494 HydrophobicContact CG-CG1 4.31Å; L1490-I1494 WeakPolarHBondContact O-CG1 3.26Å; L1490-I1494 PolarHBondContact O-N 3.33Å; V1491-I1494 PolarHBondContact O-N 3.28Å; I1494-L1498 WeakPolarHBondContact O-CB 3.47Å; I1494-L1498 PolarHBondContact O-N 3.25Å; I1494-L1501 HydrophobicContact CG2-CD1 4.07Å; I1494-L1501 HydrophobicContact CG2-CD2 4.18Å; I1494-V1509 HydrophobicContact CG2-CG2 4.4Å
1495K74.1Confident73.9Confident47 Ų4750.5 Ų50.520%0.20427%0.268CS..Hα-helixtrans-69.9-34.8-178.5-169.361.6171.8178.30112.8V1491 R1493 N1506 V1509 M1510 I1513 I1531V1491-K1495 PolarHBondContact O-N 3.4Å; V1491-K1495 VanDerWaalsContact O-N 3.07Å; R1493-K1495 VanDerWaalsContact C-N 3.31Å; R1493-K1495 PolarHBondContact O-N 3.21Å; K1495-N1506 PolarHBondContact NZ-OD1 2.9Å; K1495-V1509 HydrophobicContact CB-CG1 4.36Å; K1495-M1510 HydrophobicContact CD-SD 4.39Å; K1495-I1513 HydrophobicContact CB-CD1 4.1Å; K1495-I1513 HydrophobicContact CG-CD1 4.1Å; K1495-I1531 HydrophobicContact CG-CG2 4.33Å
1496R74.4Confident74.2Confident119 Ų11948.8 Ų48.845%0.44926%0.263SS..Hα-helixtrans-69.8-35177.9-171.9179.3-71.7134.5-2.8113.1E1492 R1493E1492-R1496 WeakPolarHBondContact O-CB 3.39Å; E1492-R1496 PolarHBondContact O-N 3.25Å; E1492-R1496 VanDerWaalsContact O-N 3.1Å; E1492-R1496 IonicContact OE1-CZ 2.59Å; E1492-R1496 IonicContact OE1-NH1 3.44Å; E1492-R1496 PolarHBondContact OE1-NH1 3.38Å; E1492-R1496 IonicContact OE1-NH2 2.71Å; E1492-R1496 PolarHBondContact OE1-NH2 2.98Å; R1493-R1496 PolarHBondContact O-N 3.39Å
1497Y69.7Low74.3Confident112 Ų11251.2 Ų51.244%0.43927%0.274SS..Hα-helixtrans-109.2-17.1-170.2-61.1-61.1000115.6R1493 P1499R1493-Y1497 HydrophobicContact CB-CD2 3.97Å; R1493-Y1497 HydrophobicContact CB-CE2 4.05Å; R1493-Y1497 HydrophobicContact CG-CD2 4.34Å; R1493-Y1497 HydrophobicContact CG-CE2 3.9Å; R1493-Y1497 WeakPolarHBondContact O-CB 3.04Å; R1493-Y1497 WeakPolarHBondContact O-CD2 3.5Å; R1493-Y1497 PolarHBondContact O-N 3.06Å; Y1497-P1499 WeakPolarHBondContact O-CD 3.36Å
1498L67.3Low74.2Confident21 Ų2155.5 Ų55.511%0.1129%0.292CS..  trans-113.794.1178-79.577.6000112.7I1446 L1458 I1494 L1501I1446-L1498 HydrophobicContact CG1-CD1 4.48Å; I1446-L1498 HydrophobicContact CG2-CD1 3.66Å; L1458-L1498 HydrophobicContact CD1-CD2 3.15Å; L1458-L1498 HydrophobicContact CD1-CG 3.87Å; I1494-L1498 WeakPolarHBondContact O-CB 3.47Å; I1494-L1498 PolarHBondContact O-N 3.25Å; L1498-L1501 HydrophobicContact CB-CD2 4.27Å; L1498-L1501 HydrophobicContact CD2-CD2 3.94Å
1499P64.3Low74.2Confident130 Ų13055.1 Ų55.184%0.84429%0.291SS*.SBendtrans-76.6124.1166.229.5-30.3000110.5Y1497Y1497-P1499 WeakPolarHBondContact O-CD 3.36Å
1500G67.1Low74.1Confident73 Ų7355.7 Ų55.775%0.75329%0.291SS*.SBendtrans104.641175.500000116.7
1501L69.5Low74.1Confident21 Ų2156.2 Ų56.211%0.1130%0.297CS..  trans-67.6149.3173.8-65.8162000111.7I1494 L1498 V1503 L1505 N1506I1494-L1501 HydrophobicContact CG2-CD1 4.07Å; I1494-L1501 HydrophobicContact CG2-CD2 4.18Å; L1498-L1501 HydrophobicContact CB-CD2 4.27Å; L1498-L1501 HydrophobicContact CD2-CD2 3.94Å; L1501-V1503 PolarHBondContact O-N 3.35Å; L1501-L1505 HydrophobicContact CD2-CD2 3.78Å; L1501-L1505 HydrophobicContact CD2-CG 4.34Å; L1501-N1506 HydrophobicContact CB-CB 4.03Å
1502M73.6Confident74.1Confident53 Ų5356.2 Ų56.226%0.26130%0.297SS..  trans-50.5138.1166.9-177.217485.600110.5L1467 E1504 L1505 N1506L1467-M1502 HydrophobicContact CD2-CE 3.8Å; M1502-E1504 VanDerWaalsContact C-N 3.32Å; M1502-E1504 HydrophobicContact CE-CB 3.9Å; M1502-E1504 HydrophobicContact CE-CG 4.47Å; M1502-E1504 PolarHBondContact O-N 2.75Å; M1502-L1505 HydrophobicContact CB-CB 4.25Å; M1502-L1505 CarbonylContact O-C 3.58Å; M1502-L1505 WeakPolarHBondContact O-CA 3.27Å; M1502-L1505 WeakPolarHBondContact O-CB 3.48Å; M1502-L1505 PolarHBondContact O-N 3.31Å; M1502-N1506 PolarHBondContact O-N 2.97Å
1503V74.9Confident74.2Confident106 Ų10655.3 Ų55.364%0.64229%0.293SS*.Hα-helixtrans-50.5-50.5-173.9-179.40000111.7L1501 L1505 N1506 D1507L1501-V1503 PolarHBondContact O-N 3.35Å; V1503-L1505 VanDerWaalsContact C-N 3.3Å; V1503-L1505 PolarHBondContact O-N 3.32Å; V1503-N1506 PolarHBondContact O-N 3.42Å; V1503-N1506 VanDerWaalsContact O-N 3.15Å; V1503-D1507 VanDerWaalsContact O-CG 3.29Å; V1503-D1507 PolarHBondContact O-N 3.36Å
1504E71.8Confident74.3Confident123 Ų12352.9 Ų52.958%0.57528%0.284SS*.Hα-helixtrans-61.2-36.1179-57.7178.7174.600113.2M1502 K1508M1502-E1504 VanDerWaalsContact C-N 3.32Å; M1502-E1504 HydrophobicContact CE-CB 3.9Å; M1502-E1504 HydrophobicContact CE-CG 4.47Å; M1502-E1504 PolarHBondContact O-N 2.75Å; E1504-K1508 VanDerWaalsContact O-CG 3.31Å; E1504-K1508 WeakPolarHBondContact O-CG 3.48Å; E1504-K1508 PolarHBondContact O-N 2.92Å; E1504-K1508 VanDerWaalsContact O-N 3.15Å
1505L76.6Confident74.4Confident1 Ų152.8 Ų52.81%0.00528%0.284CS..Hα-helixtrans-73.9-39.7176.7179.261.8000111Q1463 L1466 L1467 L1501 M1502 V1503 D1507 K1508 V1509Q1463-L1505 HydrophobicContact CB-CD2 4.12Å; L1466-L1505 HydrophobicContact CB-CD1 4.11Å; L1466-L1505 HydrophobicContact CB-CD2 4.1Å; L1466-L1505 HydrophobicContact CD1-CD2 4.4Å; L1467-L1505 HydrophobicContact CB-CD1 4.08Å; L1467-L1505 HydrophobicContact CD1-CB 4.41Å; L1467-L1505 HydrophobicContact CD1-CD1 4.28Å; L1501-L1505 HydrophobicContact CD2-CD2 3.78Å; L1501-L1505 HydrophobicContact CD2-CG 4.34Å; M1502-L1505 HydrophobicContact CB-CB 4.25Å; M1502-L1505 CarbonylContact O-C 3.58Å; M1502-L1505 WeakPolarHBondContact O-CA 3.27Å; M1502-L1505 WeakPolarHBondContact O-CB 3.48Å; M1502-L1505 PolarHBondContact O-N 3.31Å; V1503-L1505 VanDerWaalsContact C-N 3.3Å; V1503-L1505 PolarHBondContact O-N 3.32Å; L1505-D1507 VanDerWaalsContact C-N 3.35Å; L1505-K1508 PolarHBondContact O-N 3.38Å; L1505-V1509 HydrophobicContact CD1-CG2 4.17Å; L1505-V1509 HydrophobicContact CG-CG2 4.35Å; L1505-V1509 VanDerWaalsContact O-CB 3.3Å; L1505-V1509 WeakPolarHBondContact O-CB 3.31Å; L1505-V1509 WeakPolarHBondContact O-CG2 3.25Å; L1505-V1509 PolarHBondContact O-N 3.45Å
1506N80.2Confident74.5Confident44 Ų4450.5 Ų50.524%0.23527%0.274CS..Hα-helixtrans-62.7-43.1175.7-174.162.1000110.9K1495 L1501 M1502 V1503 K1508 V1509 M1510K1495-N1506 PolarHBondContact NZ-OD1 2.9Å; L1501-N1506 HydrophobicContact CB-CB 4.03Å; M1502-N1506 PolarHBondContact O-N 2.97Å; V1503-N1506 PolarHBondContact O-N 3.42Å; V1503-N1506 VanDerWaalsContact O-N 3.15Å; N1506-K1508 PolarHBondContact O-N 3.19Å; N1506-V1509 PolarHBondContact O-N 3.42Å; N1506-M1510 WeakPolarHBondContact O-CB 3.48Å; N1506-M1510 VanDerWaalsContact O-CG 3.25Å; N1506-M1510 WeakPolarHBondContact O-CG 3.49Å; N1506-M1510 PolarHBondContact O-N 2.9Å
1507D76Confident74.7Confident103 Ų10344.9 Ų44.955%0.55125%0.253SS*.Hα-helixtrans-63.9-41.6177.4-67-16000111.6V1503 L1505 M1510 G1511V1503-D1507 VanDerWaalsContact O-CG 3.29Å; V1503-D1507 PolarHBondContact O-N 3.36Å; L1505-D1507 VanDerWaalsContact C-N 3.35Å; D1507-M1510 PolarHBondContact O-N 2.71Å; D1507-G1511 PolarHBondContact O-N 3.44Å
1508K77.2Confident75Confident92 Ų9240.5 Ų40.540%0.424%0.24SC..Hα-helixtrans-69.2-37.3175-70.8-66.5-176.8-176.20113.2L1467 V1470 N1471 E1504 L1505 N1506 G1511 A1512L1467-K1508 HydrophobicContact CD1-CB 4.21Å; L1467-K1508 HydrophobicContact CD1-CG 3.85Å; V1470-K1508 HydrophobicContact CG1-CB 4.2Å; N1471-K1508 WeakPolarHBondContact OD1-CE 3.36Å; E1504-K1508 VanDerWaalsContact O-CG 3.31Å; E1504-K1508 WeakPolarHBondContact O-CG 3.48Å; E1504-K1508 PolarHBondContact O-N 2.92Å; E1504-K1508 VanDerWaalsContact O-N 3.15Å; L1505-K1508 PolarHBondContact O-N 3.38Å; N1506-K1508 PolarHBondContact O-N 3.19Å; K1508-G1511 CarbonylContact O-C 3.49Å; K1508-G1511 PolarHBondContact O-N 3.28Å; K1508-A1512 WeakPolarHBondContact O-CB 3.47Å; K1508-A1512 PolarHBondContact O-N 3.33Å
1509V78.1Confident75.4Confident1 Ų140.5 Ų40.51%0.00624%0.242CC..Hα-helixtrans-64.6-44.6173.41620000110.6V1491 I1494 K1495 L1505 N1506 G1511 A1512 I1513V1491-V1509 HydrophobicContact CG1-CG1 3.95Å; I1494-V1509 HydrophobicContact CG2-CG2 4.4Å; K1495-V1509 HydrophobicContact CB-CG1 4.36Å; L1505-V1509 HydrophobicContact CD1-CG2 4.17Å; L1505-V1509 HydrophobicContact CG-CG2 4.35Å; L1505-V1509 VanDerWaalsContact O-CB 3.3Å; L1505-V1509 WeakPolarHBondContact O-CB 3.31Å; L1505-V1509 WeakPolarHBondContact O-CG2 3.25Å; L1505-V1509 PolarHBondContact O-N 3.45Å; N1506-V1509 PolarHBondContact O-N 3.42Å; V1509-G1511 VanDerWaalsContact C-N 3.32Å; V1509-G1511 PolarHBondContact O-N 3.17Å; V1509-A1512 PolarHBondContact O-N 3.31Å; V1509-I1513 HydrophobicContact CG1-CD1 4.27Å; V1509-I1513 WeakPolarHBondContact O-CG1 3.4Å; V1509-I1513 PolarHBondContact O-N 3.48Å
1510M77.8Confident75.9Confident36 Ų3642.1 Ų42.118%0.17724%0.238CC..Hα-helixtrans-64.5-38.1174.7-68.6-58.2-74.200111.4K1495 N1506 D1507 I1513 L1514 Y1532K1495-M1510 HydrophobicContact CD-SD 4.39Å; N1506-M1510 WeakPolarHBondContact O-CB 3.48Å; N1506-M1510 VanDerWaalsContact O-CG 3.25Å; N1506-M1510 WeakPolarHBondContact O-CG 3.49Å; N1506-M1510 PolarHBondContact O-N 2.9Å; D1507-M1510 PolarHBondContact O-N 2.71Å; M1510-I1513 PolarHBondContact O-N 2.83Å; M1510-I1513 HydrophobicContact SD-CD1 4.08Å; M1510-L1514 WeakPolarHBondContact O-CB 3.32Å; M1510-L1514 WeakPolarHBondContact O-CG 3.43Å; M1510-L1514 PolarHBondContact O-N 2.95Å; M1510-Y1532 HydrophobicContact CE-CD2 3.68Å; M1510-Y1532 HydrophobicContact CE-CE2 3.5Å
1511G78Confident76.3Confident12 Ų1241.5 Ų41.512%0.12422%0.218CC..Hα-helixtrans-61.6-39.3170.600000113.5D1507 K1508 V1509 L1514 A1515 P1555D1507-G1511 PolarHBondContact O-N 3.44Å; K1508-G1511 CarbonylContact O-C 3.49Å; K1508-G1511 PolarHBondContact O-N 3.28Å; V1509-G1511 VanDerWaalsContact C-N 3.32Å; V1509-G1511 PolarHBondContact O-N 3.17Å; G1511-L1514 WeakPolarHBondContact O-CB 3.48Å; G1511-L1514 PolarHBondContact O-N 2.91Å; G1511-A1515 WeakPolarHBondContact O-CB 3.2Å; G1511-A1515 PolarHBondContact O-N 3.21Å; G1511-P1555 WeakPolarHBondContact O-CB 3.34Å
1512A77.2Confident76.7Confident0 Ų043.9 Ų43.90%023%0.228CC..Hα-helixtrans-71.3-36.3175.800000112.5V1470 Y1488 V1491 K1508 V1509 A1515 G1516V1470-A1512 HydrophobicContact CG1-CB 4.35Å; Y1488-A1512 VanDerWaalsContact CE1-O 3.23Å; Y1488-A1512 WeakPolarHBondContact CE1-O 3.28Å; V1491-A1512 HydrophobicContact CG1-CB 4.08Å; V1491-A1512 HydrophobicContact CG2-CB 4.18Å; K1508-A1512 WeakPolarHBondContact O-CB 3.47Å; K1508-A1512 PolarHBondContact O-N 3.33Å; V1509-A1512 PolarHBondContact O-N 3.31Å; A1512-A1515 PolarHBondContact O-N 3.38Å; A1512-G1516 PolarHBondContact O-N 3.43Å
1513I78.5Confident76.9Confident1 Ų148.3 Ų48.31%0.00525%0.248CC..Hα-helixtrans-62.2-47.9171.2-68.4171.3000109.8V1491 K1495 V1509 M1510 A1515 G1516 L1517 L1528 Y1532V1491-I1513 HydrophobicContact CG1-CD1 4.31Å; V1491-I1513 HydrophobicContact CG1-CG1 3.57Å; K1495-I1513 HydrophobicContact CB-CD1 4.1Å; K1495-I1513 HydrophobicContact CG-CD1 4.1Å; V1509-I1513 HydrophobicContact CG1-CD1 4.27Å; V1509-I1513 WeakPolarHBondContact O-CG1 3.4Å; V1509-I1513 PolarHBondContact O-N 3.48Å; M1510-I1513 PolarHBondContact O-N 2.83Å; M1510-I1513 HydrophobicContact SD-CD1 4.08Å; I1513-A1515 VanDerWaalsContact C-N 3.33Å; I1513-A1515 PolarHBondContact O-N 2.93Å; I1513-G1516 CarbonylContact O-C 3.57Å; I1513-G1516 WeakPolarHBondContact O-CA 3.37Å; I1513-G1516 PolarHBondContact O-N 2.97Å; I1513-L1517 PolarHBondContact O-N 3.32Å; I1513-L1528 HydrophobicContact CG1-CD2 4.35Å; I1513-L1528 HydrophobicContact CG2-CB 4.44Å; I1513-L1528 HydrophobicContact CG2-CD2 4.3Å; I1513-Y1532 HydrophobicContact CG2-CD2 4Å
1514L78.3Confident77Confident10 Ų1044.4 Ų44.45%0.05222%0.223CC..Hα-helixtrans-56.3-46.6175.2-79169.2000111.3M1510 G1511 G1516 L1517 Y1532 I1551 L1556M1510-L1514 WeakPolarHBondContact O-CB 3.32Å; M1510-L1514 WeakPolarHBondContact O-CG 3.43Å; M1510-L1514 PolarHBondContact O-N 2.95Å; G1511-L1514 WeakPolarHBondContact O-CB 3.48Å; G1511-L1514 PolarHBondContact O-N 2.91Å; L1514-G1516 VanDerWaalsContact C-N 3.28Å; L1514-G1516 PolarHBondContact O-N 3.21Å; L1514-L1517 HydrophobicContact CD2-CD1 4.23Å; L1514-L1517 WeakPolarHBondContact O-CB 3.42Å; L1514-L1517 PolarHBondContact O-N 3.32Å; L1514-Y1532 HydrophobicContact CD1-CE2 4.32Å; L1514-Y1532 HydrophobicContact CD2-CD2 4.46Å; L1514-Y1532 HydrophobicContact CD2-CE1 4.11Å; L1514-Y1532 HydrophobicContact CD2-CE2 3.75Å; L1514-Y1532 HydrophobicContact CG-CE2 3.78Å; L1514-I1551 HydrophobicContact CD1-CG2 4.22Å; L1514-L1556 HydrophobicContact CB-CD1 4.31Å; L1514-L1556 WeakPolarHBondContact O-CD1 3.44Å; L1514-L1556 WeakPolarHBondContact O-CD2 3.25Å
1515A77.6Confident77.5Confident3 Ų339.2 Ų39.23%0.02520%0.199CC..Hα-helixtrans-60.5-37173.800000112.6F1479 Y1488 G1511 A1512 I1513 L1517 A1518 P1555F1479-A1515 HydrophobicContact CE1-CB 4.19Å; Y1488-A1515 HydrophobicContact CE1-CB 4.32Å; G1511-A1515 WeakPolarHBondContact O-CB 3.2Å; G1511-A1515 PolarHBondContact O-N 3.21Å; A1512-A1515 PolarHBondContact O-N 3.38Å; I1513-A1515 VanDerWaalsContact C-N 3.33Å; I1513-A1515 PolarHBondContact O-N 2.93Å; A1515-L1517 VanDerWaalsContact C-N 3.3Å; A1515-L1517 PolarHBondContact O-N 2.83Å; A1515-A1518 PolarHBondContact O-N 2.99Å; A1515-P1555 HydrophobicContact CB-CB 4.08Å
1516G77.3Confident77.6Confident0 Ų041.8 Ų41.80%022%0.217CC..Hα-helixtrans-67.1-24.4176.300000114.4A1512 I1513 L1514 A1518 S1519A1512-G1516 PolarHBondContact O-N 3.43Å; I1513-G1516 CarbonylContact O-C 3.57Å; I1513-G1516 WeakPolarHBondContact O-CA 3.37Å; I1513-G1516 PolarHBondContact O-N 2.97Å; L1514-G1516 VanDerWaalsContact C-N 3.28Å; L1514-G1516 PolarHBondContact O-N 3.21Å; G1516-A1518 PolarHBondContact O-N 3.11Å; G1516-S1519 VanDerWaalsContact O-CB 3.24Å; G1516-S1519 WeakPolarHBondContact O-CB 3.48Å; G1516-S1519 PolarHBondContact O-N 3.26Å; G1516-S1519 PolarHBondContact O-OG 3.1Å
1517L78.8Confident77.6Confident1 Ų143.2 Ų43.21%0.00523%0.225CC..THydrogen-bonded Turntrans-67.9-10.7172.2-62.2177.1000113.4I1513 L1514 A1515 R1525 L1528 F1529 Q1564I1513-L1517 PolarHBondContact O-N 3.32Å; L1514-L1517 HydrophobicContact CD2-CD1 4.23Å; L1514-L1517 WeakPolarHBondContact O-CB 3.42Å; L1514-L1517 PolarHBondContact O-N 3.32Å; A1515-L1517 VanDerWaalsContact C-N 3.3Å; A1515-L1517 PolarHBondContact O-N 2.83Å; L1517-R1525 VanDerWaalsContact O-CD 3.24Å; L1517-R1525 WeakPolarHBondContact O-CD 3.44Å; L1517-L1528 HydrophobicContact CD2-CB 3.85Å; L1517-F1529 HydrophobicContact CD2-CB 3.83Å; L1517-F1529 HydrophobicContact CD2-CD2 4.46Å; L1517-Q1564 HydrophobicContact CB-CG 4.02Å; L1517-Q1564 PolarHBondContact O-NE2 3.1Å; L1517-Q1564 VanDerWaalsContact O-NE2 3.08Å
1518A75.3Confident77.9Confident20 Ų2038.4 Ų38.417%0.16520%0.199CC..THydrogen-bonded Turntrans-91.62.5170.700000113.5A1515 G1516 L1556 Y1559A1515-A1518 PolarHBondContact O-N 2.99Å; G1516-A1518 PolarHBondContact O-N 3.11Å; A1518-L1556 HydrophobicContact CB-CD2 3.53Å; A1518-Y1559 HydrophobicContact CB-CD1 4.37Å; A1518-Y1559 HydrophobicContact CB-CD2 3.97Å; A1518-Y1559 HydrophobicContact CB-CE2 4.31Å; A1518-Y1559 HydrophobicContact CB-CG 4.01Å
1519S76.2Confident78.1Confident20 Ų2035.1 Ų35.114%0.1418%0.184CC..  trans-64.3142.3177.463.20000111.9G1516 D1521 R1525G1516-S1519 VanDerWaalsContact O-CB 3.24Å; G1516-S1519 WeakPolarHBondContact O-CB 3.48Å; G1516-S1519 PolarHBondContact O-N 3.26Å; G1516-S1519 PolarHBondContact O-OG 3.1Å; S1519-D1521 PolarHBondContact O-N 3.45Å; S1519-R1525 PolarHBondContact O-NE 3.46Å
1520Q73.2Confident78.2Confident165 Ų16537.3 Ų37.377%0.77120%0.203SC*.SBendtrans-69.8-18.9177.8-63.4-175.98.600112.6
1521D76Confident78.2Confident60 Ų6036.7 Ų36.732%0.32120%0.2SC..  trans-77.6121.5-179.8-169.7-18.5000110.9S1519 E1523 L1524 R1525S1519-D1521 PolarHBondContact O-N 3.45Å; D1521-E1523 PolarHBondContact OD1-N 3.28Å; D1521-E1523 VanDerWaalsContact OD1-N 3.16Å; D1521-L1524 HydrophobicContact CB-CB 4.13Å; D1521-R1525 WeakPolarHBondContact O-CB 3.38Å; D1521-R1525 PolarHBondContact O-N 2.78Å; D1521-R1525 VanDerWaalsContact O-N 3.13Å
1522E77.5Confident78.3Confident71 Ų7136.8 Ų36.833%0.33220%0.196SC..Hα-helixtrans-69.4-39.2-177.1-175-178.1179.600112.8H100 S1526 Y1611H100-E1522 IonicContact CE1-OE1 3.86Å; H100-E1522 PolarHBondContact CE1-OE1 2.98Å; H100-E1522 IonicContact CE1-OE2 3.23Å; H100-E1522 IonicContact NE2-OE1 3.91Å; H100-E1522 IonicContact NE2-OE2 2.65Å; H100-E1522 PolarHBondContact NE2-OE2 2.85Å; E1522-S1526 VanDerWaalsContact O-CB 3.3Å; E1522-S1526 WeakPolarHBondContact O-CB 3.44Å; E1522-S1526 PolarHBondContact O-N 3.14Å; E1522-S1526 PolarHBondContact O-OG 3.46Å; E1522-Y1611 HydrophobicContact CG-CD2 4.47Å
1523E78.5Confident78.4Confident145 Ų14538.8 Ų38.868%0.67821%0.207SC*.Hα-helixtrans-70.8-46.9-176.5-68-173178.700110.6D1521 R1525 S1526 N1527D1521-E1523 PolarHBondContact OD1-N 3.28Å; D1521-E1523 VanDerWaalsContact OD1-N 3.16Å; E1523-R1525 PolarHBondContact O-N 3.22Å; E1523-S1526 PolarHBondContact O-N 2.9Å; E1523-S1526 PolarHBondContact O-OG 3.46Å; E1523-N1527 WeakPolarHBondContact O-CB 3.48Å; E1523-N1527 PolarHBondContact O-N 3.38Å; E1523-N1527 PolarHBondContact O-ND2 2.95Å; E1523-N1527 VanDerWaalsContact O-ND2 3.17Å
1524L76.9Confident78.5Confident24 Ų2448.9 Ų48.913%0.12625%0.245CC..Hα-helixtrans-60.2-46175.1-105.3164.7000111.4K1485 D1521 N1527 L1528K1485-L1524 HydrophobicContact CB-CD1 4.24Å; D1521-L1524 HydrophobicContact CB-CB 4.13Å; L1524-N1527 PolarHBondContact O-N 3.36Å; L1524-L1528 HydrophobicContact CD2-CD1 4.48Å; L1524-L1528 WeakPolarHBondContact O-CB 3.35Å; L1524-L1528 VanDerWaalsContact O-CG 3.24Å; L1524-L1528 WeakPolarHBondContact O-CG 3.42Å; L1524-L1528 PolarHBondContact O-N 3.39Å
1525R82.1Confident78.4Confident14 Ų1454.2 Ų54.25%0.05327%0.27CS..Hα-helixtrans-64.4-43.6179.3177.7166.541.386.64.2112.4L1517 S1519 D1521 E1523 L1528 F1529 H1614L1517-R1525 VanDerWaalsContact O-CD 3.24Å; L1517-R1525 WeakPolarHBondContact O-CD 3.44Å; S1519-R1525 PolarHBondContact O-NE 3.46Å; D1521-R1525 WeakPolarHBondContact O-CB 3.38Å; D1521-R1525 PolarHBondContact O-N 2.78Å; D1521-R1525 VanDerWaalsContact O-N 3.13Å; E1523-R1525 PolarHBondContact O-N 3.22Å; R1525-L1528 PolarHBondContact O-N 3.5Å; R1525-F1529 VanDerWaalsContact O-CB 3.22Å; R1525-F1529 WeakPolarHBondContact O-CB 3.38Å; R1525-F1529 PolarHBondContact O-N 2.91Å; R1525-H1614 PolarHBondContact NH1-CD2 2.98Å
1526S79.3Confident78.3Confident55 Ų5554.9 Ų54.939%0.38527%0.273SS..Hα-helixtrans-65.9-38.8178.258.50000112.4E1522 E1523 F1529 A1530E1522-S1526 VanDerWaalsContact O-CB 3.3Å; E1522-S1526 WeakPolarHBondContact O-CB 3.44Å; E1522-S1526 PolarHBondContact O-N 3.14Å; E1522-S1526 PolarHBondContact O-OG 3.46Å; E1523-S1526 PolarHBondContact O-N 2.9Å; E1523-S1526 PolarHBondContact O-OG 3.46Å; S1526-F1529 PolarHBondContact O-N 3.2Å; S1526-A1530 WeakPolarHBondContact O-CB 3.46Å; S1526-A1530 PolarHBondContact O-N 3.03Å
1527N80.2Confident78.4Confident75 Ų7556.4 Ų56.440%0.40128%0.283SS..Hα-helixtrans-65.6-45.6175.1-71.6-26.8000112.1E1523 L1524 A1530 I1531E1523-N1527 WeakPolarHBondContact O-CB 3.48Å; E1523-N1527 PolarHBondContact O-N 3.38Å; E1523-N1527 PolarHBondContact O-ND2 2.95Å; E1523-N1527 VanDerWaalsContact O-ND2 3.17Å; L1524-N1527 PolarHBondContact O-N 3.36Å; N1527-A1530 PolarHBondContact O-N 3.13Å; N1527-I1531 WeakPolarHBondContact O-CG1 3.25Å; N1527-I1531 PolarHBondContact O-N 2.81Å
1528L81.1Confident78.2Confident1 Ų164.7 Ų64.71%0.00532%0.319CS..Hα-helixtrans-64.1-41.5175.5-70.8171.3000111.6E1492 I1513 L1517 L1524 R1525 I1531 Y1532E1492-L1528 HydrophobicContact CB-CD2 3.9Å; E1492-L1528 HydrophobicContact CG-CD2 4.16Å; I1513-L1528 HydrophobicContact CG1-CD2 4.35Å; I1513-L1528 HydrophobicContact CG2-CB 4.44Å; I1513-L1528 HydrophobicContact CG2-CD2 4.3Å; L1517-L1528 HydrophobicContact CD2-CB 3.85Å; L1524-L1528 HydrophobicContact CD2-CD1 4.48Å; L1524-L1528 WeakPolarHBondContact O-CB 3.35Å; L1524-L1528 VanDerWaalsContact O-CG 3.24Å; L1524-L1528 WeakPolarHBondContact O-CG 3.42Å; L1524-L1528 PolarHBondContact O-N 3.39Å; R1525-L1528 PolarHBondContact O-N 3.5Å; L1528-I1531 PolarHBondContact O-N 2.93Å; L1528-Y1532 PolarHBondContact O-N 3.23Å
1529F81.4Confident78.4Confident23 Ų2364.9 Ų64.910%0.10132%0.318CS..Hα-helixtrans-63.4-42.9176.8-177.2-94.5000111.4L1517 R1525 S1526 I1531 Y1532 N1533 E1567 L1568L1517-F1529 HydrophobicContact CD2-CB 3.83Å; L1517-F1529 HydrophobicContact CD2-CD2 4.46Å; R1525-F1529 VanDerWaalsContact O-CB 3.22Å; R1525-F1529 WeakPolarHBondContact O-CB 3.38Å; R1525-F1529 PolarHBondContact O-N 2.91Å; S1526-F1529 PolarHBondContact O-N 3.2Å; F1529-I1531 VanDerWaalsContact C-N 3.27Å; F1529-I1531 PolarHBondContact O-N 3.47Å; F1529-Y1532 PolarHBondContact O-N 2.81Å; F1529-N1533 HydrophobicContact CD1-CB 4.41Å; F1529-N1533 HydrophobicContact CE1-CB 4.11Å; F1529-N1533 HydrophobicContact CZ-CB 4.45Å; F1529-N1533 VanDerWaalsContact O-CB 3.23Å; F1529-N1533 WeakPolarHBondContact O-CB 3.44Å; F1529-N1533 PolarHBondContact O-N 2.74Å; F1529-E1567 HydrophobicContact CD2-CG 4.06Å; F1529-E1567 HydrophobicContact CE1-CG 4.35Å; F1529-E1567 HydrophobicContact CE2-CB 4.04Å; F1529-E1567 HydrophobicContact CE2-CG 3.56Å; F1529-E1567 HydrophobicContact CZ-CB 4.45Å; F1529-E1567 HydrophobicContact CZ-CG 3.74Å; F1529-E1567 WeakPolarHBondContact CZ-O 3.48Å; F1529-L1568 HydrophobicContact CD2-CD2 4.02Å; F1529-L1568 HydrophobicContact CE2-CD2 3.38Å; F1529-L1568 HydrophobicContact CE2-CG 3.93Å; F1529-L1568 HydrophobicContact CZ-CD2 4.19Å
1530A80.1Confident78.4Confident47 Ų4764.1 Ų64.139%0.38831%0.313SS..Hα-helixtrans-61.9-34.317800000112.8S1526 N1527 R1534S1526-A1530 WeakPolarHBondContact O-CB 3.46Å; S1526-A1530 PolarHBondContact O-N 3.03Å; N1527-A1530 PolarHBondContact O-N 3.13Å; A1530-R1534 WeakPolarHBondContact O-CG 3.25Å
1531I78.5Confident78.9Confident23 Ų2358.7 Ų58.712%0.11829%0.287CS..Hα-helixtrans-70.8-48.6173.8-64.2168.2000110E1492 K1495 N1527 L1528 F1529 N1533 R1534E1492-I1531 HydrophobicContact CB-CD1 4.44Å; E1492-I1531 HydrophobicContact CG-CD1 3.35Å; K1495-I1531 HydrophobicContact CG-CG2 4.33Å; N1527-I1531 WeakPolarHBondContact O-CG1 3.25Å; N1527-I1531 PolarHBondContact O-N 2.81Å; L1528-I1531 PolarHBondContact O-N 2.93Å; F1529-I1531 VanDerWaalsContact C-N 3.27Å; F1529-I1531 PolarHBondContact O-N 3.47Å; I1531-N1533 VanDerWaalsContact C-N 3.35Å; I1531-N1533 PolarHBondContact O-N 2.9Å; I1531-R1534 WeakPolarHBondContact O-CB 3.18Å; I1531-R1534 PolarHBondContact O-N 3.09Å
1532Y80.4Confident79.2Confident14 Ų1460.4 Ų60.46%0.05529%0.293CS..Hα-helixtrans-64-38.9-178.3-162.6-92.2000112.3M1510 I1513 L1514 L1528 F1529 R1534 E1535 L1536 I1551 L1568M1510-Y1532 HydrophobicContact CE-CD2 3.68Å; M1510-Y1532 HydrophobicContact CE-CE2 3.5Å; I1513-Y1532 HydrophobicContact CG2-CD2 4Å; L1514-Y1532 HydrophobicContact CD1-CE2 4.32Å; L1514-Y1532 HydrophobicContact CD2-CD2 4.46Å; L1514-Y1532 HydrophobicContact CD2-CE1 4.11Å; L1514-Y1532 HydrophobicContact CD2-CE2 3.75Å; L1514-Y1532 HydrophobicContact CG-CE2 3.78Å; L1528-Y1532 PolarHBondContact O-N 3.23Å; F1529-Y1532 PolarHBondContact O-N 2.81Å; Y1532-R1534 PolarHBondContact O-N 2.98Å; Y1532-E1535 PolarHBondContact O-N 2.81Å; Y1532-E1535 VanDerWaalsContact O-N 3.15Å; Y1532-L1536 HydrophobicContact CD1-CD1 3.96Å; Y1532-L1536 HydrophobicContact CD1-CG 4.32Å; Y1532-L1536 HydrophobicContact CE1-CD1 4.01Å; Y1532-L1536 HydrophobicContact CE1-CD2 4.26Å; Y1532-L1536 HydrophobicContact CE1-CG 4.23Å; Y1532-I1551 HydrophobicContact CE1-CD1 4.33Å; Y1532-I1551 WeakPolarHBondContact OH-CD1 3.28Å; Y1532-L1568 HydrophobicContact CD1-CD2 3.74Å; Y1532-L1568 HydrophobicContact CE1-CD1 4.47Å; Y1532-L1568 HydrophobicContact CE1-CD2 4.09Å
1533N79.2Confident79.5Confident43 Ų4357.7 Ų57.723%0.2328%0.28CS..Hα-helixtrans-65.4-20.7178.6-168.242.5000113.4F1529 I1531 R1543F1529-N1533 HydrophobicContact CD1-CB 4.41Å; F1529-N1533 HydrophobicContact CE1-CB 4.11Å; F1529-N1533 HydrophobicContact CZ-CB 4.45Å; F1529-N1533 VanDerWaalsContact O-CB 3.23Å; F1529-N1533 WeakPolarHBondContact O-CB 3.44Å; F1529-N1533 PolarHBondContact O-N 2.74Å; I1531-N1533 VanDerWaalsContact C-N 3.35Å; I1531-N1533 PolarHBondContact O-N 2.9Å; N1533-R1543 VanDerWaalsContact OD1-CZ 3.27Å; N1533-R1543 PolarHBondContact OD1-NH1 3.28Å; N1533-R1543 PolarHBondContact OD1-NH2 3.28Å
1534R79.6Confident79.8Confident212 Ų21250.9 Ų50.980%0.825%0.248SC*.Hα-helixtrans-75.2-26.2175-72.2172.9-176.8-167.60.4113.2A1530 I1531 Y1532 L1536A1530-R1534 WeakPolarHBondContact O-CG 3.25Å; I1531-R1534 WeakPolarHBondContact O-CB 3.18Å; I1531-R1534 PolarHBondContact O-N 3.09Å; Y1532-R1534 PolarHBondContact O-N 2.98Å; R1534-L1536 VanDerWaalsContact C-N 3.34Å
1535E76.4Confident80.2Confident122 Ų12252.8 Ų52.857%0.5726%0.255SS*.SBendtrans-85.4-10.1178.6-59.8-70.2155.800112Y1532Y1532-E1535 PolarHBondContact O-N 2.81Å; Y1532-E1535 VanDerWaalsContact O-N 3.15Å
1536L76.8Confident80.3Confident17 Ų1754.5 Ų54.59%0.08926%0.264CS..SBendtrans-89.2150.9-177.8-72.9174.3000113.1Y1532 R1534 H1546 I1551 L1568Y1532-L1536 HydrophobicContact CD1-CD1 3.96Å; Y1532-L1536 HydrophobicContact CD1-CG 4.32Å; Y1532-L1536 HydrophobicContact CE1-CD1 4.01Å; Y1532-L1536 HydrophobicContact CE1-CD2 4.26Å; Y1532-L1536 HydrophobicContact CE1-CG 4.23Å; R1534-L1536 VanDerWaalsContact C-N 3.34Å; L1536-H1546 WeakPolarHBondContact CD2-CD2 3.08Å; L1536-I1551 HydrophobicContact CD2-CD1 4.33Å; L1536-L1568 HydrophobicContact CD1-CB 4.47Å; L1536-L1568 HydrophobicContact CD1-CD2 3.61Å
1537P78Confident80.6Confident33 Ų3352.2 Ų52.221%0.21425%0.248CC..  trans-57.3157.7173.3-20.430.6000113E1542 R1543 H1546P1537-E1542 HydrophobicContact CB-CB 3.49Å; P1537-E1542 VanDerWaalsContact CB-CB 3.49Å; P1537-E1542 WeakPolarHBondContact CB-OE2 3.38Å; P1537-E1542 HydrophobicContact CG-CB 3.97Å; P1537-R1543 HydrophobicContact CB-CG 4.48Å; P1537-R1543 VanDerWaalsContact O-CG 3.3Å; P1537-R1543 WeakPolarHBondContact O-CG 3.32Å; P1537-R1543 PolarHBondContact O-NE 2.99Å; P1537-R1543 PolarHBondContact O-NH2 3.35Å; P1537-H1546 HydrophobicContact CG-CB 4.35Å
1538K75.9Confident80.7Confident175 Ų17549.4 Ų49.476%0.76123%0.233SC*.SBendtrans-87-25.3-176.3-68.9-174.3-179.5179.90114.1
1539T78.2Confident80.8Confident23 Ų2352.2 Ų52.214%0.14125%0.25CC..SBendtrans-91.9150.9-17566.50000111.4D63 F1541 E1542 R1543D63-T1539 WeakPolarHBondContact OD2-CG2 3.34Å; T1539-F1541 VanDerWaalsContact C-N 3.35Å; T1539-F1541 PolarHBondContact O-N 3.48Å; T1539-E1542 WeakPolarHBondContact OG1-CB 3.34Å; T1539-E1542 WeakPolarHBondContact OG1-CG 3.48Å; T1539-E1542 PolarHBondContact OG1-N 2.7Å; T1539-E1542 PolarHBondContact OG1-OE2 2.62Å; T1539-R1543 WeakPolarHBondContact O-CB 3.48Å; T1539-R1543 WeakPolarHBondContact O-CG 3.35Å; T1539-R1543 PolarHBondContact O-N 2.68Å; T1539-R1543 VanDerWaalsContact O-N 3.11Å
1540A78.1Confident80.6Confident5 Ų558.9 Ų58.94%0.04128%0.275CS..Hα-helixtrans-65.9-35.6-177.300000112.8P71 F73 L1544 L1631P71-A1540 HydrophobicContact CB-CB 4.31Å; P71-A1540 HydrophobicContact CG-CB 4.1Å; F73-A1540 HydrophobicContact CZ-CB 4.28Å; A1540-L1544 PolarHBondContact O-N 2.8Å; A1540-L1544 VanDerWaalsContact O-N 3.11Å; A1540-L1631 HydrophobicContact CB-CD2 3.95Å
1541F82.2Confident80.7Confident50 Ų5057.3 Ų57.322%0.21926%0.26CS..Hα-helixtrans-65.8-52.3176.8171.2-102.9000111.8T1539 R1543 L1544 F1545 F1635 Q1639 I1643T1539-F1541 VanDerWaalsContact C-N 3.35Å; T1539-F1541 PolarHBondContact O-N 3.48Å; F1541-R1543 VanDerWaalsContact C-N 3.27Å; F1541-R1543 PolarHBondContact O-N 2.99Å; F1541-L1544 PolarHBondContact O-N 2.81Å; F1541-F1545 WeakPolarHBondContact O-CB 3.42Å; F1541-F1545 PolarHBondContact O-N 3.17Å; F1541-F1635 HydrophobicContact CB-CD1 4.39Å; F1541-F1635 HydrophobicContact CB-CE1 3.9Å; F1541-F1635 HydrophobicContact CD2-CD1 4.47Å; F1541-F1635 HydrophobicContact CD2-CE1 4.43Å; F1541-Q1639 HydrophobicContact CD1-CG 4.28Å; F1541-Q1639 HydrophobicContact CD2-CB 3.66Å; F1541-Q1639 HydrophobicContact CD2-CG 3.74Å; F1541-Q1639 HydrophobicContact CE1-CG 4.18Å; F1541-Q1639 HydrophobicContact CE2-CB 3.41Å; F1541-Q1639 VanDerWaalsContact CE2-CB 3.41Å; F1541-Q1639 HydrophobicContact CE2-CG 3.63Å; F1541-Q1639 HydrophobicContact CG-CB 4.48Å; F1541-Q1639 HydrophobicContact CG-CG 4.08Å; F1541-Q1639 HydrophobicContact CZ-CB 4.05Å; F1541-Q1639 HydrophobicContact CZ-CG 3.86Å; F1541-I1643 HydrophobicContact CD2-CD1 3.76Å; F1541-I1643 HydrophobicContact CD2-CG1 4.3Å; F1541-I1643 HydrophobicContact CE2-CD1 3.71Å; F1541-I1643 HydrophobicContact CE2-CG1 3.8Å
1542E81.8Confident80.6Confident97 Ų9761.9 Ų61.945%0.45328%0.284SS..Hα-helixtrans-63.3-35.1-179.2-68176.4165.900111.7P1537 T1539 H1546P1537-E1542 HydrophobicContact CB-CB 3.49Å; P1537-E1542 VanDerWaalsContact CB-CB 3.49Å; P1537-E1542 WeakPolarHBondContact CB-OE2 3.38Å; P1537-E1542 HydrophobicContact CG-CB 3.97Å; T1539-E1542 WeakPolarHBondContact OG1-CB 3.34Å; T1539-E1542 WeakPolarHBondContact OG1-CG 3.48Å; T1539-E1542 PolarHBondContact OG1-N 2.7Å; T1539-E1542 PolarHBondContact OG1-OE2 2.62Å; E1542-H1546 WeakPolarHBondContact O-CB 3.36Å; E1542-H1546 PolarHBondContact O-N 2.99Å
1543R85.5Confident80.5Confident13 Ų1361.5 Ų61.55%0.04928%0.282CS..Hα-helixtrans-62.4-49.5172.6-76.8-178.7-179.7-128.7-10.8112.3N1533 P1537 T1539 F1541 F1545 H1546 L1547 L1568 M1569 G1571N1533-R1543 VanDerWaalsContact OD1-CZ 3.27Å; N1533-R1543 PolarHBondContact OD1-NH1 3.28Å; N1533-R1543 PolarHBondContact OD1-NH2 3.28Å; P1537-R1543 HydrophobicContact CB-CG 4.48Å; P1537-R1543 VanDerWaalsContact O-CG 3.3Å; P1537-R1543 WeakPolarHBondContact O-CG 3.32Å; P1537-R1543 PolarHBondContact O-NE 2.99Å; P1537-R1543 PolarHBondContact O-NH2 3.35Å; T1539-R1543 WeakPolarHBondContact O-CB 3.48Å; T1539-R1543 WeakPolarHBondContact O-CG 3.35Å; T1539-R1543 PolarHBondContact O-N 2.68Å; T1539-R1543 VanDerWaalsContact O-N 3.11Å; F1541-R1543 VanDerWaalsContact C-N 3.27Å; F1541-R1543 PolarHBondContact O-N 2.99Å; R1543-F1545 VanDerWaalsContact C-N 3.33Å; R1543-F1545 PolarHBondContact O-N 3.37Å; R1543-H1546 PolarHBondContact O-N 2.95Å; R1543-L1547 VanDerWaalsContact O-CG 3.27Å; R1543-L1547 WeakPolarHBondContact O-CG 3.32Å; R1543-L1547 PolarHBondContact O-N 3.23Å; R1543-L1568 PolarHBondContact NH1-O 3.26Å; R1543-M1569 HydrophobicContact CB-SD 4.08Å; R1543-G1571 PolarHBondContact NH1-O 3.03Å
1544L84.6Confident80.4Confident2 Ų265.5 Ų65.51%0.0130%0.299CS..Hα-helixtrans-62.7-42.8178.9-175.663.5000111.2A1540 F1541 H1546 L1547 L1548 M1569 W1624 F1628 F1635 I1643A1540-L1544 PolarHBondContact O-N 2.8Å; A1540-L1544 VanDerWaalsContact O-N 3.11Å; F1541-L1544 PolarHBondContact O-N 2.81Å; L1544-H1546 VanDerWaalsContact C-N 3.33Å; L1544-H1546 PolarHBondContact O-N 2.72Å; L1544-L1547 PolarHBondContact O-N 2.92Å; L1544-L1548 HydrophobicContact CG-CD1 4.43Å; L1544-L1548 WeakPolarHBondContact O-CG 3.47Å; L1544-L1548 PolarHBondContact O-N 3.27Å; L1544-M1569 HydrophobicContact CB-CE 3.88Å; L1544-M1569 HydrophobicContact CB-SD 4.03Å; L1544-M1569 HydrophobicContact CD1-CE 4.39Å; L1544-M1569 HydrophobicContact CD1-SD 4.25Å; L1544-W1624 HydrophobicContact CD1-CH2 4.07Å; L1544-F1628 HydrophobicContact CD1-CE2 4.43Å; L1544-F1628 HydrophobicContact CD2-CE2 4.08Å; L1544-F1635 HydrophobicContact CD2-CE2 3.8Å; L1544-F1635 HydrophobicContact CD2-CZ 4.17Å; L1544-I1643 HydrophobicContact CD2-CD1 3.89Å; L1544-I1643 HydrophobicContact CD2-CG1 4.48Å
1545F85.4Confident80Confident64 Ų6457.4 Ų57.428%0.28128%0.275SS..Hα-helixtrans-60.9-44.7175.3-167.1-100.5000110.8F1541 R1543 L1547 L1548 T1549 Y1550 A1646F1541-F1545 WeakPolarHBondContact O-CB 3.42Å; F1541-F1545 PolarHBondContact O-N 3.17Å; R1543-F1545 VanDerWaalsContact C-N 3.33Å; R1543-F1545 PolarHBondContact O-N 3.37Å; F1545-L1547 PolarHBondContact O-N 3.17Å; F1545-L1548 PolarHBondContact O-N 3.4Å; F1545-L1548 VanDerWaalsContact O-N 3.15Å; F1545-T1549 HydrophobicContact CD1-CG2 4.36Å; F1545-T1549 HydrophobicContact CE1-CG2 3.99Å; F1545-T1549 HydrophobicContact CE2-CG2 4.14Å; F1545-T1549 HydrophobicContact CZ-CG2 3.87Å; F1545-T1549 PolarHBondContact O-N 3.07Å; F1545-T1549 PolarHBondContact O-OG1 3.15Å; F1545-Y1550 HydrophobicContact CD1-CE2 4.49Å; F1545-Y1550 HydrophobicContact CE1-CE2 4.38Å; F1545-A1646 HydrophobicContact CD2-CB 4.38Å; F1545-A1646 HydrophobicContact CE2-CB 4.04Å
1546H84Confident79.9Confident50 Ų5051.6 Ų51.623%0.23125%0.248CC..Hα-helixtrans-64.7-38.2179.7-168.773.4000113.7L1536 P1537 E1542 R1543 L1544 L1548 Y1550 I1551L1536-H1546 WeakPolarHBondContact CD2-CD2 3.08Å; P1537-H1546 HydrophobicContact CG-CB 4.35Å; E1542-H1546 WeakPolarHBondContact O-CB 3.36Å; E1542-H1546 PolarHBondContact O-N 2.99Å; R1543-H1546 PolarHBondContact O-N 2.95Å; L1544-H1546 VanDerWaalsContact C-N 3.33Å; L1544-H1546 PolarHBondContact O-N 2.72Å; H1546-L1548 VanDerWaalsContact C-N 3.25Å; H1546-L1548 PolarHBondContact O-N 3.33Å; H1546-Y1550 HydrophobicContact CB-CD2 4.45Å; H1546-Y1550 VanDerWaalsContact CE1-CB 3.43Å; H1546-Y1550 WeakPolarHBondContact CE1-CB 3.31Å; H1546-Y1550 AromaticContact CE1-CD2 3.94Å; H1546-Y1550 AromaticContact CE1-CG 3.89Å; H1546-Y1550 WeakPolarHBondContact ND1-CB 3.04Å; H1546-Y1550 AromaticContact ND1-CD2 3.2Å; H1546-Y1550 WeakPolarHBondContact ND1-CD2 3.35Å; H1546-Y1550 AromaticContact ND1-CG 3.6Å; H1546-Y1550 PolarHBondContact O-N 2.69Å; H1546-I1551 PolarHBondContact O-N 2.93Å
1547L84.8Confident79.7Confident8 Ų851.9 Ų51.94%0.04225%0.248CC..Hα-helixtrans-61-32.5173.7-71.9165.7000113R1543 L1544 F1545 I1551 W1553 L1568 M1569R1543-L1547 VanDerWaalsContact O-CG 3.27Å; R1543-L1547 WeakPolarHBondContact O-CG 3.32Å; R1543-L1547 PolarHBondContact O-N 3.23Å; L1544-L1547 PolarHBondContact O-N 2.92Å; F1545-L1547 PolarHBondContact O-N 3.17Å; L1547-I1551 HydrophobicContact CD2-CD1 3.66Å; L1547-I1551 HydrophobicContact CG-CD1 4.37Å; L1547-W1553 HydrophobicContact CD2-CH2 3.98Å; L1547-W1553 HydrophobicContact CD2-CZ2 3.64Å; L1547-W1553 PolarHBondContact O-NE1 3.38Å; L1547-L1568 HydrophobicContact CD2-CB 4.32Å; L1547-L1568 HydrophobicContact CD2-CD1 3.75Å; L1547-M1569 HydrophobicContact CD1-CG 3.75Å; L1547-M1569 HydrophobicContact CD1-SD 3.45Å; L1547-M1569 WeakPolarHBondContact CD1-SD 3.39Å
1548L82.1Confident79.3Confident16 Ų1653.2 Ų53.28%0.08426%0.257CS..Hα-helixtrans-88.3-34.5-177.4-66.5174.2000113.1L1544 F1545 H1546 I1643 A1646 L1647 F1650L1544-L1548 HydrophobicContact CG-CD1 4.43Å; L1544-L1548 WeakPolarHBondContact O-CG 3.47Å; L1544-L1548 PolarHBondContact O-N 3.27Å; F1545-L1548 PolarHBondContact O-N 3.4Å; F1545-L1548 VanDerWaalsContact O-N 3.15Å; H1546-L1548 VanDerWaalsContact C-N 3.25Å; H1546-L1548 PolarHBondContact O-N 3.33Å; L1548-I1643 HydrophobicContact CD1-CG2 4.15Å; L1548-A1646 HydrophobicContact CB-CB 4.36Å; L1548-L1647 HydrophobicContact CD1-CD2 3.73Å; L1548-L1647 HydrophobicContact CD1-CG 3.82Å; L1548-L1647 HydrophobicContact CD2-CD2 3.65Å; L1548-L1647 HydrophobicContact CG-CD2 4.36Å; L1548-F1650 HydrophobicContact CD2-CB 4.46Å; L1548-F1650 HydrophobicContact CD2-CD1 3.93Å; L1548-F1650 HydrophobicContact CD2-CD2 4.47Å; L1548-F1650 HydrophobicContact CD2-CE1 4.27Å; L1548-F1650 HydrophobicContact CD2-CG 4.03Å; L1548-F1650 WeakPolarHBondContact O-CD2 3.43Å
1549T82.9Confident79.1Confident60 Ų6047.8 Ų47.837%0.36823%0.232SC..Hα-helixtrans-103-33.7-171.858.30000114.8F1545 A1646F1545-T1549 HydrophobicContact CD1-CG2 4.36Å; F1545-T1549 HydrophobicContact CE1-CG2 3.99Å; F1545-T1549 HydrophobicContact CE2-CG2 4.14Å; F1545-T1549 HydrophobicContact CZ-CG2 3.87Å; F1545-T1549 PolarHBondContact O-N 3.07Å; F1545-T1549 PolarHBondContact O-OG1 3.15Å; T1549-A1646 HydrophobicContact CG2-CB 3.75Å
1550Y79Confident79Confident162 Ų16247.3 Ų47.364%0.63523%0.229SC*.THydrogen-bonded Turntrans-113.9-23.7-167.7-63.8-74.2000114.5F1545 H1546F1545-Y1550 HydrophobicContact CD1-CE2 4.49Å; F1545-Y1550 HydrophobicContact CE1-CE2 4.38Å; H1546-Y1550 HydrophobicContact CB-CD2 4.45Å; H1546-Y1550 VanDerWaalsContact CE1-CB 3.43Å; H1546-Y1550 WeakPolarHBondContact CE1-CB 3.31Å; H1546-Y1550 AromaticContact CE1-CD2 3.94Å; H1546-Y1550 AromaticContact CE1-CG 3.89Å; H1546-Y1550 WeakPolarHBondContact ND1-CB 3.04Å; H1546-Y1550 AromaticContact ND1-CD2 3.2Å; H1546-Y1550 WeakPolarHBondContact ND1-CD2 3.35Å; H1546-Y1550 AromaticContact ND1-CG 3.6Å; H1546-Y1550 PolarHBondContact O-N 2.69Å
1551I81Confident79.4Confident15 Ų1547.3 Ų47.38%0.07723%0.228CC..  trans-84.8125.4-177.9-67.1173.7000111.4L1514 Y1532 L1536 H1546 L1547 W1553L1514-I1551 HydrophobicContact CD1-CG2 4.22Å; Y1532-I1551 HydrophobicContact CE1-CD1 4.33Å; Y1532-I1551 WeakPolarHBondContact OH-CD1 3.28Å; L1536-I1551 HydrophobicContact CD2-CD1 4.33Å; H1546-I1551 PolarHBondContact O-N 2.93Å; L1547-I1551 HydrophobicContact CD2-CD1 3.66Å; L1547-I1551 HydrophobicContact CG-CD1 4.37Å; I1551-W1553 HydrophobicContact CB-CZ2 4.41Å; I1551-W1553 HydrophobicContact CG2-CD2 3.98Å; I1551-W1553 HydrophobicContact CG2-CE3 4.41Å; I1551-W1553 HydrophobicContact CG2-CG 4.45Å; I1551-W1553 HydrophobicContact CG2-CH2 4.24Å; I1551-W1553 HydrophobicContact CG2-CZ2 3.78Å
1552I77.2Confident79.5Confident119 Ų11945 Ų4561%0.6122%0.217SC*.  trans-92.6108.5175.1-56173.4000109.5E1554 P1555I1552-E1554 VanDerWaalsContact C-N 3.29Å; I1552-E1554 HydrophobicContact CG2-CB 3.9Å; I1552-E1554 PolarHBondContact O-N 3.13Å; I1552-P1555 WeakPolarHBondContact O-CD 3.26Å
1553W78.4Confident79.7Confident6 Ų641.8 Ų41.82%0.02320%0.202CC..  trans-81.31.9-176.8-63.299.5000115.2L1547 I1551 P1555 L1556 Q1557 W1561 Q1564 C1565 L1568 F1650L1547-W1553 HydrophobicContact CD2-CH2 3.98Å; L1547-W1553 HydrophobicContact CD2-CZ2 3.64Å; L1547-W1553 PolarHBondContact O-NE1 3.38Å; I1551-W1553 HydrophobicContact CB-CZ2 4.41Å; I1551-W1553 HydrophobicContact CG2-CD2 3.98Å; I1551-W1553 HydrophobicContact CG2-CE3 4.41Å; I1551-W1553 HydrophobicContact CG2-CG 4.45Å; I1551-W1553 HydrophobicContact CG2-CH2 4.24Å; I1551-W1553 HydrophobicContact CG2-CZ2 3.78Å; W1553-P1555 VanDerWaalsContact C-CD 3.41Å; W1553-L1556 HydrophobicContact CE3-CD1 3.99Å; W1553-L1556 HydrophobicContact CZ3-CD1 3.97Å; W1553-L1556 PolarHBondContact O-N 2.98Å; W1553-Q1557 PolarHBondContact O-N 3.3Å; W1553-W1561 HydrophobicContact CB-CD2 4.47Å; W1553-W1561 AromaticContact CD2-CD2 3.92Å; W1553-W1561 HydrophobicContact CD2-CD2 3.92Å; W1553-W1561 AromaticContact CD2-CE3 3.9Å; W1553-W1561 HydrophobicContact CD2-CE3 3.9Å; W1553-W1561 HydrophobicContact CD2-CG 4.26Å; W1553-W1561 HydrophobicContact CD2-CZ3 4.39Å; W1553-W1561 HydrophobicContact CE3-CB 3.7Å; W1553-W1561 AromaticContact CE3-CD2 3.9Å; W1553-W1561 HydrophobicContact CE3-CD2 3.9Å; W1553-W1561 HydrophobicContact CE3-CE3 4Å; W1553-W1561 AromaticContact CE3-CG 3.82Å; W1553-W1561 HydrophobicContact CE3-CG 3.82Å; W1553-W1561 HydrophobicContact CG-CD2 4.18Å; W1553-W1561 HydrophobicContact CG-CE3 4.42Å; W1553-W1561 HydrophobicContact CG-CZ2 4.42Å; W1553-W1561 HydrophobicContact CH2-CE3 4.43Å; W1553-W1561 HydrophobicContact CZ2-CE3 4.33Å; W1553-W1561 HydrophobicContact CZ3-CB 3.93Å; W1553-W1561 HydrophobicContact CZ3-CD2 4.5Å; W1553-W1561 HydrophobicContact CZ3-CE3 4.27Å; W1553-W1561 HydrophobicContact CZ3-CG 4.42Å; W1553-Q1564 HydrophobicContact CZ3-CB 4.45Å; W1553-C1565 WeakPolarHBondContact CH2-SG 3.44Å; W1553-C1565 VanDerWaalsContact CZ2-SG 3.5Å; W1553-L1568 HydrophobicContact CH2-CD1 4.11Å; W1553-F1650 AromaticContact CD1-CE2 3.81Å; W1553-F1650 AromaticContact CD1-CZ 3.91Å; W1553-F1650 AromaticContact NE1-CE2 3.99Å
1554E75.8Confident79.7Confident126 Ų12641.4 Ų41.459%0.58920%0.201SC*.G310 helixtrans-49.4-44.5-177.8-165.7-179.2176.500114.3I1552 L1556 Q1557I1552-E1554 VanDerWaalsContact C-N 3.29Å; I1552-E1554 HydrophobicContact CG2-CB 3.9Å; I1552-E1554 PolarHBondContact O-N 3.13Å; E1554-L1556 PolarHBondContact O-N 2.95Å; E1554-Q1557 WeakPolarHBondContact O-CG 3.04Å; E1554-Q1557 PolarHBondContact O-N 2.92Å
1555P71.8Confident79.7Confident43 Ų4341.6 Ų41.628%0.27920%0.202SC..G310 helixtrans-65.1-24.3179.9-20.733.7000114.4G1511 A1515 I1552 W1553G1511-P1555 WeakPolarHBondContact O-CB 3.34Å; A1515-P1555 HydrophobicContact CB-CB 4.08Å; I1552-P1555 WeakPolarHBondContact O-CD 3.26Å; W1553-P1555 VanDerWaalsContact C-CD 3.41Å
1556L74.6Confident79.7Confident0 Ų038.5 Ų38.50%019%0.189CC..G310 helixtrans-101.83-176-77.9172.5000113.7L1514 A1518 W1553 E1554 Y1559 W1561 Q1564L1514-L1556 HydrophobicContact CB-CD1 4.31Å; L1514-L1556 WeakPolarHBondContact O-CD1 3.44Å; L1514-L1556 WeakPolarHBondContact O-CD2 3.25Å; A1518-L1556 HydrophobicContact CB-CD2 3.53Å; W1553-L1556 HydrophobicContact CE3-CD1 3.99Å; W1553-L1556 HydrophobicContact CZ3-CD1 3.97Å; W1553-L1556 PolarHBondContact O-N 2.98Å; E1554-L1556 PolarHBondContact O-N 2.95Å; L1556-Y1559 CarbonylContact O-C 3.49Å; L1556-Y1559 WeakPolarHBondContact O-CA 3.29Å; L1556-Y1559 PolarHBondContact O-N 3.09Å; L1556-W1561 HydrophobicContact CB-CB 4.03Å; L1556-W1561 HydrophobicContact CD1-CB 4.26Å; L1556-Q1564 HydrophobicContact CD1-CG 4.44Å
1557Q71.9Confident79.7Confident22 Ų2236.6 Ų36.610%0.10318%0.18CC..THydrogen-bonded Turntrans-53.5-35.3-178.7-72.9-168.6700117.3W1553 E1554 Y1559 S1655W1553-Q1557 PolarHBondContact O-N 3.3Å; E1554-Q1557 WeakPolarHBondContact O-CG 3.04Å; E1554-Q1557 PolarHBondContact O-N 2.92Å; Q1557-Y1559 PolarHBondContact O-N 3.36Å; Q1557-S1655 VanDerWaalsContact CD-O 3.25Å; Q1557-S1655 PolarHBondContact NE2-O 2.63Å; Q1557-S1655 PolarHBondContact OE1-O 3.17Å
1558P69.2Low79.6Confident61 Ų6136.3 Ų36.340%0.39618%0.178SC..THydrogen-bonded Turntrans-69.7-11.4175.225-31.9000113.3F1479 K1664F1479-P1558 HydrophobicContact CE2-CG 4.16Å; F1479-P1558 HydrophobicContact CZ-CG 4.5Å; P1558-K1664 PolarHBondContact O-NZ 3.21Å
1559Y72.2Confident79.7Confident62 Ų6235.6 Ų35.624%0.24317%0.174CC..SBendtrans-111.8158.1-179.3-62.8-83.1000112F1479 A1518 L1556 Q1557 W1561F1479-Y1559 WeakPolarHBondContact CB-OH 3.37Å; F1479-Y1559 AromaticContact CD1-CE2 3.88Å; F1479-Y1559 HydrophobicContact CD1-CE2 3.88Å; F1479-Y1559 HydrophobicContact CD2-CE2 4.26Å; F1479-Y1559 HydrophobicContact CE1-CE2 4.13Å; F1479-Y1559 HydrophobicContact CE2-CE2 4.5Å; F1479-Y1559 AromaticContact CG-CE2 3.95Å; F1479-Y1559 HydrophobicContact CG-CE2 3.95Å; F1479-Y1559 HydrophobicContact CZ-CE2 4.44Å; A1518-Y1559 HydrophobicContact CB-CD1 4.37Å; A1518-Y1559 HydrophobicContact CB-CD2 3.97Å; A1518-Y1559 HydrophobicContact CB-CE2 4.31Å; A1518-Y1559 HydrophobicContact CB-CG 4.01Å; L1556-Y1559 CarbonylContact O-C 3.49Å; L1556-Y1559 WeakPolarHBondContact O-CA 3.29Å; L1556-Y1559 PolarHBondContact O-N 3.09Å; Q1557-Y1559 PolarHBondContact O-N 3.36Å; Y1559-W1561 PolarHBondContact O-N 3.07Å
1560N77.4Confident79.7Confident12 Ų1232.9 Ų32.96%0.06416%0.158CC..  trans-79.187.3174.3179.98.4000109.2I1562 K1563 Q1564 D1617 K1664 V1666N1560-I1562 PolarHBondContact O-N 3.21Å; N1560-I1562 VanDerWaalsContact O-N 3.13Å; N1560-I1562 WeakPolarHBondContact OD1-CB 3.5Å; N1560-I1562 WeakPolarHBondContact OD1-CG1 3.26Å; N1560-I1562 PolarHBondContact OD1-N 3.09Å; N1560-K1563 HydrophobicContact CB-CD 4.42Å; N1560-K1563 WeakPolarHBondContact O-CB 3.18Å; N1560-K1563 WeakPolarHBondContact O-CG 3.44Å; N1560-K1563 PolarHBondContact O-N 3.47Å; N1560-Q1564 PolarHBondContact O-OE1 2.84Å; N1560-D1617 WeakPolarHBondContact CB-OD1 3.49Å; N1560-D1617 PolarHBondContact ND2-OD1 3.14Å; N1560-K1664 HydrophobicContact CB-CD 4.42Å; N1560-V1666 WeakPolarHBondContact OD1-CG2 3.42Å
1561W84.5Confident79.6Confident6 Ų626.2 Ų26.22%0.02314%0.139CC..THydrogen-bonded Turntrans-69.6-5.6-17451.4-101.8000114.8W1553 L1556 Y1559 K1563 Q1564 C1565 F1650 V1666 I1667 L1670W1553-W1561 HydrophobicContact CB-CD2 4.47Å; W1553-W1561 AromaticContact CD2-CD2 3.92Å; W1553-W1561 HydrophobicContact CD2-CD2 3.92Å; W1553-W1561 AromaticContact CD2-CE3 3.9Å; W1553-W1561 HydrophobicContact CD2-CE3 3.9Å; W1553-W1561 HydrophobicContact CD2-CG 4.26Å; W1553-W1561 HydrophobicContact CD2-CZ3 4.39Å; W1553-W1561 HydrophobicContact CE3-CB 3.7Å; W1553-W1561 AromaticContact CE3-CD2 3.9Å; W1553-W1561 HydrophobicContact CE3-CD2 3.9Å; W1553-W1561 HydrophobicContact CE3-CE3 4Å; W1553-W1561 AromaticContact CE3-CG 3.82Å; W1553-W1561 HydrophobicContact CE3-CG 3.82Å; W1553-W1561 HydrophobicContact CG-CD2 4.18Å; W1553-W1561 HydrophobicContact CG-CE3 4.42Å; W1553-W1561 HydrophobicContact CG-CZ2 4.42Å; W1553-W1561 HydrophobicContact CH2-CE3 4.43Å; W1553-W1561 HydrophobicContact CZ2-CE3 4.33Å; W1553-W1561 HydrophobicContact CZ3-CB 3.93Å; W1553-W1561 HydrophobicContact CZ3-CD2 4.5Å; W1553-W1561 HydrophobicContact CZ3-CE3 4.27Å; W1553-W1561 HydrophobicContact CZ3-CG 4.42Å; L1556-W1561 HydrophobicContact CB-CB 4.03Å; L1556-W1561 HydrophobicContact CD1-CB 4.26Å; Y1559-W1561 PolarHBondContact O-N 3.07Å; W1561-K1563 PolarHBondContact O-N 3.47Å; W1561-Q1564 VanDerWaalsContact CA-OE1 3.27Å; W1561-Q1564 WeakPolarHBondContact O-CB 3.31Å; W1561-Q1564 PolarHBondContact O-N 2.55Å; W1561-Q1564 VanDerWaalsContact O-N 3.08Å; W1561-Q1564 PolarHBondContact O-OE1 3.45Å; W1561-C1565 VanDerWaalsContact CZ3-SG 3.58Å; W1561-C1565 PolarHBondContact O-N 3.12Å; W1561-F1650 AromaticContact CH2-CE1 3.99Å; W1561-F1650 HydrophobicContact CH2-CE1 3.99Å; W1561-F1650 AromaticContact CH2-CZ 3.7Å; W1561-F1650 HydrophobicContact CH2-CZ 3.7Å; W1561-F1650 HydrophobicContact CZ2-CZ 4.26Å; W1561-V1666 HydrophobicContact CD2-CG1 3.62Å; W1561-V1666 HydrophobicContact CE3-CG1 3.77Å; W1561-V1666 HydrophobicContact CG-CG1 4.45Å; W1561-V1666 HydrophobicContact CH2-CG1 3.33Å; W1561-V1666 HydrophobicContact CZ2-CB 4.13Å; W1561-V1666 HydrophobicContact CZ2-CG1 3.15Å; W1561-V1666 HydrophobicContact CZ3-CG1 3.62Å; W1561-I1667 HydrophobicContact CH2-CD1 4.42Å; W1561-I1667 HydrophobicContact CZ2-CD1 4.16Å; W1561-L1670 HydrophobicContact CH2-CD1 3.76Å; W1561-L1670 HydrophobicContact CZ3-CD1 4.28Å
1562I85Confident79.5Confident1 Ų126.1 Ų26.11%0.00514%0.139CC..Hα-helixtrans-56.5-33.3169.2-60.9-173.5000111.1N1560 Q1564 C1565 V1566 A1620 W1624 V1666 T1669N1560-I1562 PolarHBondContact O-N 3.21Å; N1560-I1562 VanDerWaalsContact O-N 3.13Å; N1560-I1562 WeakPolarHBondContact OD1-CB 3.5Å; N1560-I1562 WeakPolarHBondContact OD1-CG1 3.26Å; N1560-I1562 PolarHBondContact OD1-N 3.09Å; I1562-Q1564 VanDerWaalsContact C-N 3.27Å; I1562-Q1564 PolarHBondContact O-N 3.46Å; I1562-C1565 WeakPolarHBondContact O-CB 3.22Å; I1562-C1565 PolarHBondContact O-N 3.06Å; I1562-C1565 VanDerWaalsContact O-N 3.08Å; I1562-V1566 HydrophobicContact CG2-CG2 4.13Å; I1562-V1566 WeakPolarHBondContact O-CG2 3.47Å; I1562-V1566 PolarHBondContact O-N 2.99Å; I1562-A1620 HydrophobicContact CG2-CB 4.46Å; I1562-W1624 HydrophobicContact CG2-CB 3.68Å; I1562-W1624 HydrophobicContact CG2-CD2 4.28Å; I1562-W1624 HydrophobicContact CG2-CG 3.91Å; I1562-V1666 HydrophobicContact CD1-CB 4.3Å; I1562-V1666 HydrophobicContact CD1-CG1 3.83Å; I1562-V1666 HydrophobicContact CG1-CB 4.22Å; I1562-V1666 HydrophobicContact CG1-CG1 3.44Å; I1562-V1666 VanDerWaalsContact CG1-CG1 3.44Å; I1562-V1666 HydrophobicContact CG1-CG2 4.33Å; I1562-T1669 HydrophobicContact CD1-CG2 3.38Å; I1562-T1669 WeakPolarHBondContact CD1-OG1 3.46Å
1563K85.7Confident79.5Confident30 Ų3021 Ų2113%0.1311%0.113CC..Hα-helixtrans-55.1-48176.9-67.3168.9168.9-178.20110.6N1560 W1561 E1567 N1613 H1614 D1617 A1620N1560-K1563 HydrophobicContact CB-CD 4.42Å; N1560-K1563 WeakPolarHBondContact O-CB 3.18Å; N1560-K1563 WeakPolarHBondContact O-CG 3.44Å; N1560-K1563 PolarHBondContact O-N 3.47Å; W1561-K1563 PolarHBondContact O-N 3.47Å; K1563-E1567 PolarHBondContact O-N 3.34Å; K1563-N1613 WeakPolarHBondContact CA-ND2 3.17Å; K1563-N1613 VanDerWaalsContact CE-O 3.28Å; K1563-N1613 WeakPolarHBondContact CE-O 3.27Å; K1563-N1613 WeakPolarHBondContact CG-O 3.27Å; K1563-N1613 PolarHBondContact O-ND2 3.3Å; K1563-H1614 WeakPolarHBondContact CE-O 3.47Å; K1563-H1614 PolarHBondContact NZ-O 3.22Å; K1563-D1617 WeakPolarHBondContact CE-OD1 3.49Å; K1563-D1617 IonicContact NZ-OD1 2.78Å; K1563-D1617 PolarHBondContact NZ-OD1 3.47Å; K1563-A1620 HydrophobicContact CG-CB 3.69Å
1564Q85.8Confident79.3Confident5 Ų524.7 Ų24.72%0.02313%0.13CC..Hα-helixtrans-68.4-39.9175.6-69.373.611.300111L1517 W1553 L1556 N1560 W1561 I1562 V1566 E1567 L1568L1517-Q1564 HydrophobicContact CB-CG 4.02Å; L1517-Q1564 PolarHBondContact O-NE2 3.1Å; L1517-Q1564 VanDerWaalsContact O-NE2 3.08Å; W1553-Q1564 HydrophobicContact CZ3-CB 4.45Å; L1556-Q1564 HydrophobicContact CD1-CG 4.44Å; N1560-Q1564 PolarHBondContact O-OE1 2.84Å; W1561-Q1564 VanDerWaalsContact CA-OE1 3.27Å; W1561-Q1564 WeakPolarHBondContact O-CB 3.31Å; W1561-Q1564 PolarHBondContact O-N 2.55Å; W1561-Q1564 VanDerWaalsContact O-N 3.08Å; W1561-Q1564 PolarHBondContact O-OE1 3.45Å; I1562-Q1564 VanDerWaalsContact C-N 3.27Å; I1562-Q1564 PolarHBondContact O-N 3.46Å; Q1564-V1566 PolarHBondContact O-N 3.44Å; Q1564-E1567 PolarHBondContact O-N 3.37Å; Q1564-L1568 WeakPolarHBondContact O-CB 3.31Å; Q1564-L1568 WeakPolarHBondContact O-CD1 3.29Å; Q1564-L1568 WeakPolarHBondContact O-CG 3.24Å; Q1564-L1568 PolarHBondContact O-N 3.19Å
1565C84.7Confident79.3Confident5 Ų522.8 Ų22.83%0.03412%0.124CC..Hα-helixtrans-58.2-44.5175.3-66.70000113.1W1553 W1561 I1562 E1567 L1568 M1569 W1624W1553-C1565 WeakPolarHBondContact CH2-SG 3.44Å; W1553-C1565 VanDerWaalsContact CZ2-SG 3.5Å; W1561-C1565 VanDerWaalsContact CZ3-SG 3.58Å; W1561-C1565 PolarHBondContact O-N 3.12Å; I1562-C1565 WeakPolarHBondContact O-CB 3.22Å; I1562-C1565 PolarHBondContact O-N 3.06Å; I1562-C1565 VanDerWaalsContact O-N 3.08Å; C1565-E1567 VanDerWaalsContact C-N 3.33Å; C1565-E1567 PolarHBondContact O-N 3.21Å; C1565-L1568 PolarHBondContact O-N 3.25Å; C1565-M1569 WeakPolarHBondContact O-CB 3.49Å; C1565-M1569 VanDerWaalsContact O-CG 3.27Å; C1565-M1569 WeakPolarHBondContact O-CG 3.17Å; C1565-M1569 PolarHBondContact O-N 3.42Å; C1565-W1624 HydrophobicContact CB-CE3 4.07Å; C1565-W1624 HydrophobicContact CB-CH2 4.21Å; C1565-W1624 HydrophobicContact CB-CZ3 3.63Å
1566V84.8Confident79.6Confident0 Ų027.6 Ų27.60%015%0.147CC..Hα-helixtrans-60.3-45177171.50000110.4I1562 Q1564 M1569 L1570 M1623 W1624I1562-V1566 HydrophobicContact CG2-CG2 4.13Å; I1562-V1566 WeakPolarHBondContact O-CG2 3.47Å; I1562-V1566 PolarHBondContact O-N 2.99Å; Q1564-V1566 PolarHBondContact O-N 3.44Å; V1566-M1569 PolarHBondContact O-N 3.18Å; V1566-L1570 HydrophobicContact CG1-CD1 3.81Å; V1566-L1570 WeakPolarHBondContact O-CB 3.39Å; V1566-L1570 WeakPolarHBondContact O-CG 3.44Å; V1566-L1570 PolarHBondContact O-N 2.98Å; V1566-M1623 HydrophobicContact CG1-CB 4.07Å; V1566-M1623 HydrophobicContact CG1-CE 3.88Å; V1566-M1623 HydrophobicContact CG1-SD 4.46Å; V1566-M1623 HydrophobicContact CG2-CB 4.37Å; V1566-W1624 HydrophobicContact CG2-CB 3.89Å; V1566-W1624 HydrophobicContact CG2-CE3 3.86Å
1567E84Confident79.4Confident9 Ų930.6 Ų30.64%0.04216%0.161CC..Hα-helixtrans-65.8-43.8179.3-163.8176-168.300112.1F1529 K1563 Q1564 C1565 M1569 L1570 G1571 F1610 H1614F1529-E1567 HydrophobicContact CD2-CG 4.06Å; F1529-E1567 HydrophobicContact CE1-CG 4.35Å; F1529-E1567 HydrophobicContact CE2-CB 4.04Å; F1529-E1567 HydrophobicContact CE2-CG 3.56Å; F1529-E1567 HydrophobicContact CZ-CB 4.45Å; F1529-E1567 HydrophobicContact CZ-CG 3.74Å; F1529-E1567 WeakPolarHBondContact CZ-O 3.48Å; K1563-E1567 PolarHBondContact O-N 3.34Å; Q1564-E1567 PolarHBondContact O-N 3.37Å; C1565-E1567 VanDerWaalsContact C-N 3.33Å; C1565-E1567 PolarHBondContact O-N 3.21Å; E1567-M1569 PolarHBondContact O-N 2.98Å; E1567-L1570 PolarHBondContact O-N 3.32Å; E1567-G1571 PolarHBondContact O-N 2.63Å; E1567-F1610 HydrophobicContact CB-CD1 4.23Å; E1567-F1610 HydrophobicContact CB-CE1 4.27Å; E1567-F1610 HydrophobicContact CG-CB 4.45Å; E1567-F1610 HydrophobicContact CG-CD1 3.89Å; E1567-F1610 HydrophobicContact CG-CD2 3.9Å; E1567-F1610 HydrophobicContact CG-CE1 3.99Å; E1567-F1610 HydrophobicContact CG-CE2 4Å; E1567-F1610 HydrophobicContact CG-CG 3.84Å; E1567-F1610 HydrophobicContact CG-CZ 4.03Å; E1567-H1614 IonicContact OE2-CD2 3.74Å; E1567-H1614 IonicContact OE2-CE1 3.8Å; E1567-H1614 PolarHBondContact OE2-CE1 3.43Å; E1567-H1614 IonicContact OE2-NE2 2.77Å; E1567-H1614 PolarHBondContact OE2-NE2 3.13Å
1568L83.7Confident79.2Confident2 Ų232.1 Ų32.11%0.0117%0.173CC..Hα-helixtrans-65.3-38177.9-65.4166.1000111.9F1529 Y1532 L1536 R1543 L1547 W1553 Q1564 C1565F1529-L1568 HydrophobicContact CD2-CD2 4.02Å; F1529-L1568 HydrophobicContact CE2-CD2 3.38Å; F1529-L1568 HydrophobicContact CE2-CG 3.93Å; F1529-L1568 HydrophobicContact CZ-CD2 4.19Å; Y1532-L1568 HydrophobicContact CD1-CD2 3.74Å; Y1532-L1568 HydrophobicContact CE1-CD1 4.47Å; Y1532-L1568 HydrophobicContact CE1-CD2 4.09Å; L1536-L1568 HydrophobicContact CD1-CB 4.47Å; L1536-L1568 HydrophobicContact CD1-CD2 3.61Å; R1543-L1568 PolarHBondContact NH1-O 3.26Å; L1547-L1568 HydrophobicContact CD2-CB 4.32Å; L1547-L1568 HydrophobicContact CD2-CD1 3.75Å; W1553-L1568 HydrophobicContact CH2-CD1 4.11Å; Q1564-L1568 WeakPolarHBondContact O-CB 3.31Å; Q1564-L1568 WeakPolarHBondContact O-CD1 3.29Å; Q1564-L1568 WeakPolarHBondContact O-CG 3.24Å; Q1564-L1568 PolarHBondContact O-N 3.19Å; C1565-L1568 PolarHBondContact O-N 3.25Å
1569M83.9Confident79.3Confident1 Ų129.3 Ų29.31%0.00516%0.155CC..Hα-helixtrans-69.1-47.6175.9-74.9-55.6-64.200112R1543 L1544 L1547 C1565 V1566 E1567 G1571 C1572 W1624 L1631R1543-M1569 HydrophobicContact CB-SD 4.08Å; L1544-M1569 HydrophobicContact CB-CE 3.88Å; L1544-M1569 HydrophobicContact CB-SD 4.03Å; L1544-M1569 HydrophobicContact CD1-CE 4.39Å; L1544-M1569 HydrophobicContact CD1-SD 4.25Å; L1547-M1569 HydrophobicContact CD1-CG 3.75Å; L1547-M1569 HydrophobicContact CD1-SD 3.45Å; L1547-M1569 WeakPolarHBondContact CD1-SD 3.39Å; C1565-M1569 WeakPolarHBondContact O-CB 3.49Å; C1565-M1569 VanDerWaalsContact O-CG 3.27Å; C1565-M1569 WeakPolarHBondContact O-CG 3.17Å; C1565-M1569 PolarHBondContact O-N 3.42Å; V1566-M1569 PolarHBondContact O-N 3.18Å; E1567-M1569 PolarHBondContact O-N 2.98Å; M1569-G1571 PolarHBondContact O-N 3.16Å; M1569-C1572 PolarHBondContact O-N 3.3Å; M1569-C1572 PolarHBondContact O-SG 3.36Å; M1569-W1624 HydrophobicContact CG-CH2 4.4Å; M1569-W1624 HydrophobicContact CG-CZ3 3.92Å; M1569-L1631 HydrophobicContact CE-CD1 3.3Å
1570L82.2Confident79Confident3 Ų327.1 Ų27.12%0.01615%0.148CC..Hα-helixtrans-72-12.8178.1-69.4172.5000113F73 I75 V1566 E1567 C1572 V1573 L1606 F1610 M1623F73-L1570 HydrophobicContact CB-CD2 4.13Å; F73-L1570 HydrophobicContact CD1-CD2 3.77Å; F73-L1570 HydrophobicContact CD2-CD2 4.41Å; F73-L1570 HydrophobicContact CE1-CD2 4.21Å; F73-L1570 HydrophobicContact CG-CD2 3.87Å; I75-L1570 HydrophobicContact CD1-CD1 3.88Å; I75-L1570 HydrophobicContact CD1-CD2 4.13Å; V1566-L1570 HydrophobicContact CG1-CD1 3.81Å; V1566-L1570 WeakPolarHBondContact O-CB 3.39Å; V1566-L1570 WeakPolarHBondContact O-CG 3.44Å; V1566-L1570 PolarHBondContact O-N 2.98Å; E1567-L1570 PolarHBondContact O-N 3.32Å; L1570-C1572 PolarHBondContact O-N 2.87Å; L1570-C1572 VanDerWaalsContact O-N 3.13Å; L1570-V1573 HydrophobicContact CD2-CG2 4.1Å; L1570-V1573 VanDerWaalsContact O-CB 3.31Å; L1570-V1573 WeakPolarHBondContact O-CB 3.26Å; L1570-V1573 VanDerWaalsContact O-CG2 3.28Å; L1570-V1573 WeakPolarHBondContact O-CG2 3.45Å; L1570-V1573 PolarHBondContact O-N 3.25Å; L1570-L1606 HydrophobicContact CB-CD2 4.1Å; L1570-L1606 HydrophobicContact CD1-CD2 4.27Å; L1570-F1610 HydrophobicContact CB-CE1 3.79Å; L1570-F1610 HydrophobicContact CB-CZ 3.83Å; L1570-F1610 HydrophobicContact CD1-CE1 3.88Å; L1570-F1610 HydrophobicContact CG-CE1 4.48Å; L1570-M1623 HydrophobicContact CD1-CE 3.98Å
1571G77.2Confident78.4Confident23 Ų2328.6 Ų28.624%0.23716%0.156CC..THydrogen-bonded Turntrans-64.9-7.8173.700000115.4R1543 E1567 M1569R1543-G1571 PolarHBondContact NH1-O 3.03Å; E1567-G1571 PolarHBondContact O-N 2.63Å; M1569-G1571 PolarHBondContact O-N 3.16Å
1572C78.5Confident77.4Confident12 Ų1230.2 Ų30.28%0.08117%0.167CC..THydrogen-bonded Turntrans-90-6.8170.769.20000113.8P61 M1569 L1570P61-C1572 WeakPolarHBondContact CD-O 3.44Å; M1569-C1572 PolarHBondContact O-N 3.3Å; M1569-C1572 PolarHBondContact O-SG 3.36Å; L1570-C1572 PolarHBondContact O-N 2.87Å; L1570-C1572 VanDerWaalsContact O-N 3.13Å
1573V77.5Confident75.9Confident11 Ų1135.7 Ų35.77%0.06720%0.195CC..SBendtrans-65.9138.2-179.3172.60000111.2F58 F73 L1570 L1575 A1602 L1606F58-V1573 HydrophobicContact CB-CG1 3.9Å; F58-V1573 HydrophobicContact CB-CG2 3.93Å; F58-V1573 HydrophobicContact CD1-CG1 4.13Å; F58-V1573 HydrophobicContact CG-CG1 4.49Å; F73-V1573 HydrophobicContact CD2-CG2 3.9Å; F73-V1573 HydrophobicContact CE2-CG2 3.93Å; L1570-V1573 HydrophobicContact CD2-CG2 4.1Å; L1570-V1573 VanDerWaalsContact O-CB 3.31Å; L1570-V1573 WeakPolarHBondContact O-CB 3.26Å; L1570-V1573 VanDerWaalsContact O-CG2 3.28Å; L1570-V1573 WeakPolarHBondContact O-CG2 3.45Å; L1570-V1573 PolarHBondContact O-N 3.25Å; V1573-L1575 PolarHBondContact O-N 2.93Å; V1573-A1602 HydrophobicContact CG1-CB 4.34Å; V1573-L1606 HydrophobicContact CB-CD1 4.26Å; V1573-L1606 HydrophobicContact CG1-CD1 4.01Å
1574E75.3Confident73.9Confident84 Ų8435.9 Ų35.939%0.39320%0.199SC..  trans-73.1113.3174.1-71-176.2-175.700110.7F59 D1576 Q1577F59-E1574 PolarHBondContact O-N 3.26Å; E1574-D1576 PolarHBondContact O-N 3.27Å; E1574-Q1577 HydrophobicContact CB-CG 3.98Å; E1574-Q1577 PolarHBondContact O-N 3.43Å; E1574-Q1577 PolarHBondContact OE2-NE2 3.42Å
1575L75.8Confident71.5Confident87 Ų8739.2 Ų39.246%0.45522%0.223SC..THydrogen-bonded Turntrans-67.1-22.2-170.8-66.9174.6000114.4V1573 A1602 K1603 L1606V1573-L1575 PolarHBondContact O-N 2.93Å; L1575-A1602 PolarHBondContact O-N 2.99Å; L1575-K1603 HydrophobicContact CB-CB 4.26Å; L1575-K1603 PolarHBondContact O-N 3.33Å; L1575-K1603 VanDerWaalsContact O-N 3.08Å; L1575-L1606 HydrophobicContact CD2-CD1 3.96Å
1576D76.8Confident68.9Low143 Ų14344.3 Ų44.377%0.76526%0.256SS*.THydrogen-bonded Turntrans-92-8.2-175-62.7-31.6000113.3E1574E1574-D1576 PolarHBondContact O-N 3.27Å
1577Q71.3Confident66.3Low64 Ų6448.3 Ų48.330%0.29928%0.284SS..SBendtrans-77.6143.5179.6-69.5-156.510.100112.7F59 E1574 A1602F59-Q1577 VanDerWaalsContact CD2-OE1 3.27Å; F59-Q1577 VanDerWaalsContact CG-OE1 3.23Å; E1574-Q1577 HydrophobicContact CB-CG 3.98Å; E1574-Q1577 PolarHBondContact O-N 3.43Å; E1574-Q1577 PolarHBondContact OE2-NE2 3.42Å; Q1577-A1602 PolarHBondContact O-N 3.35Å; Q1577-A1602 VanDerWaalsContact O-N 3.16Å
1578P68.2Low63.7Low54 Ų5452.6 Ų52.635%0.35132%0.316SS..BIsolated β-bridgetrans-70.4135.3178.326.4-32.2000112.4S1598P1578-S1598 WeakPolarHBondContact CB-O 3.38Å
1579L70.2Confident61Low2 Ų257.8 Ų57.81%0.0135%0.352CS..PPolyproline II helixtrans-71.6138.7174.8-63.9170.6000110.8V56 F58 L111 S1598 I1600 A1602 F1605V56-L1579 HydrophobicContact CG1-CB 4.29Å; V56-L1579 HydrophobicContact CG1-CD2 3.88Å; F58-L1579 HydrophobicContact CD1-CD2 3.47Å; F58-L1579 VanDerWaalsContact CD1-CD2 3.47Å; F58-L1579 HydrophobicContact CE1-CD2 3.32Å; F58-L1579 HydrophobicContact CG-CD2 4.28Å; F58-L1579 HydrophobicContact CZ-CD2 4Å; L111-L1579 HydrophobicContact CD2-CB 4.24Å; L1579-S1598 PolarHBondContact O-OG 2.98Å; L1579-I1600 HydrophobicContact CD1-CG2 4.35Å; L1579-I1600 PolarHBondContact N-O 3.34Å; L1579-A1602 HydrophobicContact CD2-CB 3.95Å; L1579-A1602 HydrophobicContact CG-CB 4.46Å; L1579-F1605 HydrophobicContact CD1-CB 3.69Å; L1579-F1605 HydrophobicContact CD1-CD1 3.83Å; L1579-F1605 HydrophobicContact CD1-CG 4.04Å
1580C66.4Low58.2Low15 Ų1565.7 Ų65.710%0.10139%0.394CS..EExtended strand (participates in β ladder)trans-120.2132175.6-64.70000110.4V57 W1595V57-C1580 PolarHBondContact N-O 3.49Å; C1580-W1595 HydrophobicContact CB-CZ3 4.37Å
1581L65.9Low55.5Low44 Ų4469.4 Ų69.423%0.2343%0.426CS..EExtended strand (participates in β ladder)trans-89.6119.2170-118.4170.9000108.3P54 L77 L111P54-L1581 HydrophobicContact CB-CD2 3.72Å; L77-L1581 HydrophobicContact CD1-CD2 4.39Å; L111-L1581 HydrophobicContact CB-CD1 3.37Å; L111-L1581 HydrophobicContact CB-CG 4.11Å
1582V61.7Low53.1Low40 Ų4073.3 Ų73.324%0.24246%0.456CS..EExtended strand (participates in β ladder)trans-112.8126.3177.4-178.60000108.8Q55 V57Q55-V1582 PolarHBondContact N-O 3.01Å; Q55-V1582 PolarHBondContact O-N 3.23Å; V57-V1582 HydrophobicContact CG2-CB 4.09Å; V57-V1582 HydrophobicContact CG2-CG2 3.51Å
1583I54Low50.8Low116 Ų11677.9 Ų77.960%0.59548%0.483SS*.  trans-106.594.8168.5-49.9173000103.6E52E52-I1583 HydrophobicContact CB-CG2 3.99Å; E52-I1583 WeakPolarHBondContact OE2-CG2 3.33Å
1584S44.9Very low48.5Very low33 Ų3385 Ų8523%0.23152%0.521CS..  trans-91.2106.2-16157.10000114E52E52-S1584 VanDerWaalsContact CG-O 3.27Å; E52-S1584 WeakPolarHBondContact CG-O 3.45Å; E52-S1584 VanDerWaalsContact OE1-O 3.06Å; E52-S1584 PolarHBondContact OE2-N 2.93Å; E52-S1584 VanDerWaalsContact OE2-N 3.12Å
1585S34.2Very low46.6Very low75 Ų7587.8 Ų87.852%0.52453%0.528SS..  trans-76.6125.2158.556.30000109.8E52 S1587E52-S1585 WeakPolarHBondContact OE1-CA 3.44Å; E52-S1585 PolarHBondContact OE1-N 3.27Å; E52-S1585 PolarHBondContact OE2-N 3.38Å; S1585-S1587 PolarHBondContact O-N 3.13Å
1586P31.1Very low45Very low112 Ų11289.1 Ų89.173%0.72754%0.544SS*.  trans-95.686.8179.134.5-26.1000109
1587S29.9Very low43.1Very low84 Ų8487.7 Ų87.759%0.58754%0.541SS*.  trans169.771.4156.442.60000112S1585S1585-S1587 PolarHBondContact O-N 3.13Å
1588S28.5Very low42.1Very low100 Ų10085.8 Ų85.870%0.69954%0.535SS*.  trans-153.6105.6144.146.70000108.4
1589S28.1Very low41.6Very low111 Ų11186.9 Ų86.978%0.77654%0.544SS*.  trans-64.2134.2163.1380000108.6
1590N25.5Very low41.4Very low166 Ų16687.5 Ų87.589%0.88855%0.547SS*.SBendtrans62.371.5162.3-60.2-15.2000117.5
1591A24.9Very low41.8Very low82 Ų8288.6 Ų88.668%0.67855%0.554SS**  trans-150.6137.6147.500000109.7V1593A1591-V1593 PolarHBondContact O-N 3.32Å
1592A27.2Very low42.3Very low105 Ų10586.7 Ų86.787%0.86854%0.544SS*.  trans-60.9101.9178.400000110.2
1593V29.9Very low43.2Very low108 Ų10891 Ų9166%0.65556%0.559SS**  trans-85.5120.2171.5178.60000107.1A1591 W1595A1591-V1593 PolarHBondContact O-N 3.32Å; V1593-W1595 PolarHBondContact O-N 3.5Å; V1593-W1595 VanDerWaalsContact O-N 3.12Å; V1593-W1595 PolarHBondContact O-NE1 3.21Å
1594D29.7Very low44.3Very low161 Ų16189.8 Ų89.886%0.86155%0.554SS**  trans-55.9112.4179-76-39.1000111.3S1596D1594-S1596 PolarHBondContact O-N 3.19Å
1595W35.3Very low46.1Very low141 Ų14188.2 Ų88.253%0.53454%0.543SS..  trans-79112.2178.4-61.862.3000107.7F59 C1580 V1593 T1597F59-W1595 HydrophobicContact CZ-CZ3 4.16Å; C1580-W1595 HydrophobicContact CB-CZ3 4.37Å; V1593-W1595 PolarHBondContact O-N 3.5Å; V1593-W1595 VanDerWaalsContact O-N 3.12Å; V1593-W1595 PolarHBondContact O-NE1 3.21Å; W1595-T1597 VanDerWaalsContact C-N 3.25Å; W1595-T1597 HydrophobicContact CB-CG2 4.48Å; W1595-T1597 PolarHBondContact O-N 2.89Å
1596S41Very low48.4Very low115 Ų11584.9 Ų84.980%0.80452%0.519SS*.  trans-68.389.8164.159.40000108.2D1594 S1598D1594-S1596 PolarHBondContact O-N 3.19Å; S1596-S1598 PolarHBondContact O-N 2.9Å
1597T38.2Very low50.9Low114 Ų11482.3 Ų82.370%0.69950%0.503SS*.  trans-64.3102.1-17948.70000110.5W1595W1595-T1597 VanDerWaalsContact C-N 3.25Å; W1595-T1597 HydrophobicContact CB-CG2 4.48Å; W1595-T1597 PolarHBondContact O-N 2.89Å
1598S48.8Very low53.5Low24 Ų2479.9 Ų79.917%0.16848%0.482CS..  trans-74.7133.6167.936.20000110.9P1578 L1579 S1596 I1600P1578-S1598 WeakPolarHBondContact CB-O 3.38Å; L1579-S1598 PolarHBondContact O-OG 2.98Å; S1596-S1598 PolarHBondContact O-N 2.9Å; S1598-I1600 PolarHBondContact O-N 3.43Å; S1598-I1600 VanDerWaalsContact O-N 3.15Å
1599S57.8Low56Low77 Ų7775.2 Ų75.254%0.53845%0.449SS..  trans-77.413.4-17656.50000115.5S116 P1601S116-S1599 PolarHBondContact O-OG 3.19Å; S1599-P1601 VanDerWaalsContact O-CD 3.26Å; S1599-P1601 WeakPolarHBondContact O-CD 3.39Å
1600I65.9Low58.8Low15 Ų1571 Ų718%0.07742%0.417CS..  trans-88.5112.2-173.6-55.4175.4000109.7R110 L111 L1579 S1598R110-I1600 HydrophobicContact CB-CD1 4.08Å; L111-I1600 HydrophobicContact CD2-CD1 4.09Å; L111-I1600 HydrophobicContact CG-CD1 4.32Å; L1579-I1600 HydrophobicContact CD1-CG2 4.35Å; L1579-I1600 PolarHBondContact N-O 3.34Å; S1598-I1600 PolarHBondContact O-N 3.43Å; S1598-I1600 VanDerWaalsContact O-N 3.15Å
1601P75.4Confident61.6Low38 Ų3865 Ų6525%0.24738%0.382CS..BIsolated β-bridgetrans-74.1147.8-179.630.3-35000111.8S1599 K1603 N1604S1599-P1601 VanDerWaalsContact O-CD 3.26Å; S1599-P1601 WeakPolarHBondContact O-CD 3.39Å; P1601-K1603 PolarHBondContact O-N 3.45Å; P1601-K1603 VanDerWaalsContact O-N 3.1Å; P1601-N1604 PolarHBondContact O-N 3.41Å; P1601-N1604 VanDerWaalsContact O-N 3.08Å
1602A76.5Confident64.3Low3 Ų361.1 Ų61.13%0.02535%0.35CS..G310 helixtrans-55.7-29.2179.500000113.7F58 V1573 L1575 Q1577 L1579 N1604 F1605 L1606F58-A1602 HydrophobicContact CD1-CB 4.19Å; F58-A1602 HydrophobicContact CE1-CB 4.44Å; V1573-A1602 HydrophobicContact CG1-CB 4.34Å; L1575-A1602 PolarHBondContact O-N 2.99Å; Q1577-A1602 PolarHBondContact O-N 3.35Å; Q1577-A1602 VanDerWaalsContact O-N 3.16Å; L1579-A1602 HydrophobicContact CD2-CB 3.95Å; L1579-A1602 HydrophobicContact CG-CB 4.46Å; A1602-N1604 PolarHBondContact O-N 3.43Å; A1602-N1604 VanDerWaalsContact O-N 3.17Å; A1602-F1605 PolarHBondContact O-N 3.43Å; A1602-F1605 VanDerWaalsContact O-N 3.09Å; A1602-L1606 HydrophobicContact CB-CD1 4.02Å; A1602-L1606 PolarHBondContact O-N 3.41Å; A1602-L1606 VanDerWaalsContact O-N 3.07Å
1603K79.8Confident67Low130 Ų13056.1 Ų56.157%0.56531%0.309SS*.G310 helixtrans-53-31.9174.9-172.2177.2176.5-179.60114.4L1575 P1601 F1605 P1607L1575-K1603 HydrophobicContact CB-CB 4.26Å; L1575-K1603 PolarHBondContact O-N 3.33Å; L1575-K1603 VanDerWaalsContact O-N 3.08Å; P1601-K1603 PolarHBondContact O-N 3.45Å; P1601-K1603 VanDerWaalsContact O-N 3.1Å; K1603-F1605 VanDerWaalsContact C-N 3.33Å; K1603-P1607 VanDerWaalsContact O-CD 3.25Å; K1603-P1607 WeakPolarHBondContact O-CD 3.33Å
1604N78.7Confident69.3Low91 Ų9152.4 Ų52.449%0.48728%0.284SS..G310 helixtrans-84.7-6.7-176.9-68.3-10.8000113.4P1601 A1602 H1608P1601-N1604 PolarHBondContact O-N 3.41Å; P1601-N1604 VanDerWaalsContact O-N 3.08Å; A1602-N1604 PolarHBondContact O-N 3.43Å; A1602-N1604 VanDerWaalsContact O-N 3.17Å; N1604-H1608 PolarHBondContact O-CD2 3.41Å; N1604-H1608 VanDerWaalsContact O-CD2 3.28Å
1605F81Confident71.5Confident1 Ų147.9 Ų47.90%0.00428%0.276CS..THydrogen-bonded Turntrans-121-41.9-173.2-172.7-130.2000113.1V56 F58 L77 T104 V107 L1579 A1602 K1603 H1608 L1609V56-F1605 HydrophobicContact CG1-CE1 4.4Å; V56-F1605 HydrophobicContact CG2-CE1 4.25Å; F58-F1605 HydrophobicContact CE1-CD1 4.08Å; F58-F1605 AromaticContact CZ-CD1 3.63Å; F58-F1605 HydrophobicContact CZ-CD1 3.63Å; F58-F1605 AromaticContact CZ-CE1 3.86Å; F58-F1605 HydrophobicContact CZ-CE1 3.86Å; L77-F1605 HydrophobicContact CD2-CE1 4.47Å; L77-F1605 HydrophobicContact CD2-CZ 3.9Å; T104-F1605 HydrophobicContact CG2-CE2 3.81Å; T104-F1605 HydrophobicContact CG2-CZ 4.37Å; V107-F1605 HydrophobicContact CB-CD2 3.74Å; V107-F1605 HydrophobicContact CB-CE2 4.01Å; V107-F1605 HydrophobicContact CG1-CB 4.33Å; V107-F1605 HydrophobicContact CG1-CD2 3.54Å; V107-F1605 HydrophobicContact CG1-CE2 3.89Å; V107-F1605 HydrophobicContact CG1-CG 3.93Å; V107-F1605 HydrophobicContact CG2-CD2 4.07Å; L1579-F1605 HydrophobicContact CD1-CB 3.69Å; L1579-F1605 HydrophobicContact CD1-CD1 3.83Å; L1579-F1605 HydrophobicContact CD1-CG 4.04Å; A1602-F1605 PolarHBondContact O-N 3.43Å; A1602-F1605 VanDerWaalsContact O-N 3.09Å; K1603-F1605 VanDerWaalsContact C-N 3.33Å; F1605-H1608 PolarHBondContact O-N 3.43Å; F1605-L1609 HydrophobicContact CD1-CD1 3.67Å; F1605-L1609 HydrophobicContact CD1-CG 4.21Å; F1605-L1609 HydrophobicContact CD2-CG 4.4Å; F1605-L1609 HydrophobicContact CE1-CD1 3.33Å; F1605-L1609 HydrophobicContact CE1-CD2 4.26Å; F1605-L1609 HydrophobicContact CE1-CG 3.91Å; F1605-L1609 HydrophobicContact CE2-CD1 4.45Å; F1605-L1609 HydrophobicContact CE2-CD2 4.15Å; F1605-L1609 HydrophobicContact CE2-CG 4.12Å; F1605-L1609 HydrophobicContact CG-CD1 4.35Å; F1605-L1609 HydrophobicContact CG-CG 4.44Å; F1605-L1609 HydrophobicContact CZ-CD1 3.76Å; F1605-L1609 HydrophobicContact CZ-CD2 3.78Å; F1605-L1609 HydrophobicContact CZ-CG 3.84Å; F1605-L1609 PolarHBondContact O-N 3.19Å; F1605-L1609 VanDerWaalsContact O-N 3.15Å
1606L82.7Confident73.7Confident4 Ų442 Ų422%0.02126%0.257CS..Hα-helixtrans-54.5-46-177.5-89.6158.5000114.5F58 L1570 V1573 L1575 A1602 H1608 L1609 F1610F58-L1606 HydrophobicContact CD1-CD1 4.25Å; F58-L1606 HydrophobicContact CD1-CG 4.34Å; F58-L1606 HydrophobicContact CE1-CD1 4.22Å; F58-L1606 HydrophobicContact CE1-CD2 4.24Å; F58-L1606 HydrophobicContact CE1-CG 3.86Å; L1570-L1606 HydrophobicContact CB-CD2 4.1Å; L1570-L1606 HydrophobicContact CD1-CD2 4.27Å; V1573-L1606 HydrophobicContact CB-CD1 4.26Å; V1573-L1606 HydrophobicContact CG1-CD1 4.01Å; L1575-L1606 HydrophobicContact CD2-CD1 3.96Å; A1602-L1606 HydrophobicContact CB-CD1 4.02Å; A1602-L1606 PolarHBondContact O-N 3.41Å; A1602-L1606 VanDerWaalsContact O-N 3.07Å; L1606-H1608 VanDerWaalsContact C-N 3.29Å; L1606-H1608 PolarHBondContact O-N 2.9Å; L1606-L1609 PolarHBondContact O-N 3.45Å; L1606-F1610 HydrophobicContact CB-CE2 4.19Å; L1606-F1610 HydrophobicContact CB-CZ 4.4Å; L1606-F1610 HydrophobicContact CD2-CE1 3.76Å; L1606-F1610 HydrophobicContact CD2-CE2 4.1Å; L1606-F1610 HydrophobicContact CD2-CZ 3.45Å; L1606-F1610 VanDerWaalsContact CD2-CZ 3.45Å; L1606-F1610 HydrophobicContact CG-CZ 4.48Å; L1606-F1610 WeakPolarHBondContact O-CD2 3.49Å; L1606-F1610 VanDerWaalsContact O-CG 3.28Å; L1606-F1610 WeakPolarHBondContact O-CG 3.2Å; L1606-F1610 PolarHBondContact O-N 3.05Å
1607P83.5Confident75.5Confident59 Ų5939.9 Ų39.938%0.38324%0.236SC..Hα-helixtrans-60.1-37.6179.7-24.834.8000113.3K1603 F1610 Y1611K1603-P1607 VanDerWaalsContact O-CD 3.25Å; K1603-P1607 WeakPolarHBondContact O-CD 3.33Å; P1607-F1610 PolarHBondContact O-N 3.35Å; P1607-Y1611 PolarHBondContact O-N 3.22Å; P1607-Y1611 VanDerWaalsContact O-N 3.13Å
1608H84.6Confident77.3Confident33 Ų3337.5 Ų37.515%0.15323%0.228CC..Hα-helixtrans-71.1-39178.2-56.4-65.3000112H100 T104 N1604 F1605 L1606 Y1611 L1612H100-H1608 HydrophobicContact CB-CB 4.33Å; H100-H1608 AromaticContact CE1-ND1 3.77Å; H100-H1608 AromaticContact CG-ND1 3.7Å; H100-H1608 AromaticContact ND1-CE1 3.87Å; H100-H1608 AromaticContact ND1-CG 3.78Å; H100-H1608 AromaticContact ND1-ND1 2.92Å; H100-H1608 PolarHBondContact ND1-ND1 3.45Å; T104-H1608 WeakPolarHBondContact OG1-CB 3.4Å; N1604-H1608 PolarHBondContact O-CD2 3.41Å; N1604-H1608 VanDerWaalsContact O-CD2 3.28Å; F1605-H1608 PolarHBondContact O-N 3.43Å; L1606-H1608 VanDerWaalsContact C-N 3.29Å; L1606-H1608 PolarHBondContact O-N 2.9Å; H1608-Y1611 PolarHBondContact O-N 2.77Å; H1608-L1612 WeakPolarHBondContact O-CG 3.48Å; H1608-L1612 PolarHBondContact O-N 3.43Å; H1608-L1612 VanDerWaalsContact O-N 3.12Å
1609L82.6Confident78.8Confident1 Ų136.5 Ų36.51%0.00522%0.221CC..Hα-helixtrans-62.7-42.6172.8-73.8-176.7000112.3F58 I80 T104 F1605 L1606 Y1611 L1612 N1613 M1623F58-L1609 HydrophobicContact CZ-CD1 3.92Å; I80-L1609 HydrophobicContact CD1-CD2 3.96Å; I80-L1609 HydrophobicContact CG2-CD2 4.02Å; T104-L1609 HydrophobicContact CG2-CD2 3.94Å; F1605-L1609 HydrophobicContact CD1-CD1 3.67Å; F1605-L1609 HydrophobicContact CD1-CG 4.21Å; F1605-L1609 HydrophobicContact CD2-CG 4.4Å; F1605-L1609 HydrophobicContact CE1-CD1 3.33Å; F1605-L1609 HydrophobicContact CE1-CD2 4.26Å; F1605-L1609 HydrophobicContact CE1-CG 3.91Å; F1605-L1609 HydrophobicContact CE2-CD1 4.45Å; F1605-L1609 HydrophobicContact CE2-CD2 4.15Å; F1605-L1609 HydrophobicContact CE2-CG 4.12Å; F1605-L1609 HydrophobicContact CG-CD1 4.35Å; F1605-L1609 HydrophobicContact CG-CG 4.44Å; F1605-L1609 HydrophobicContact CZ-CD1 3.76Å; F1605-L1609 HydrophobicContact CZ-CD2 3.78Å; F1605-L1609 HydrophobicContact CZ-CG 3.84Å; F1605-L1609 PolarHBondContact O-N 3.19Å; F1605-L1609 VanDerWaalsContact O-N 3.15Å; L1606-L1609 PolarHBondContact O-N 3.45Å; L1609-Y1611 PolarHBondContact O-N 3.16Å; L1609-L1612 PolarHBondContact O-N 3.27Å; L1609-N1613 VanDerWaalsContact O-CB 3.25Å; L1609-N1613 WeakPolarHBondContact O-CB 3.45Å; L1609-N1613 PolarHBondContact O-N 3.39Å; L1609-M1623 HydrophobicContact CB-CE 4.3Å; L1609-M1623 HydrophobicContact CD1-CE 4.42Å
1610F85Confident80Confident24 Ų2432.8 Ų32.811%0.10520%0.195CC..Hα-helixtrans-61.9-43.6177.5-64.6-29.2000112E1567 L1570 L1606 P1607 L1612 N1613 H1614E1567-F1610 HydrophobicContact CB-CD1 4.23Å; E1567-F1610 HydrophobicContact CB-CE1 4.27Å; E1567-F1610 HydrophobicContact CG-CB 4.45Å; E1567-F1610 HydrophobicContact CG-CD1 3.89Å; E1567-F1610 HydrophobicContact CG-CD2 3.9Å; E1567-F1610 HydrophobicContact CG-CE1 3.99Å; E1567-F1610 HydrophobicContact CG-CE2 4Å; E1567-F1610 HydrophobicContact CG-CG 3.84Å; E1567-F1610 HydrophobicContact CG-CZ 4.03Å; L1570-F1610 HydrophobicContact CB-CE1 3.79Å; L1570-F1610 HydrophobicContact CB-CZ 3.83Å; L1570-F1610 HydrophobicContact CD1-CE1 3.88Å; L1570-F1610 HydrophobicContact CG-CE1 4.48Å; L1606-F1610 HydrophobicContact CB-CE2 4.19Å; L1606-F1610 HydrophobicContact CB-CZ 4.4Å; L1606-F1610 HydrophobicContact CD2-CE1 3.76Å; L1606-F1610 HydrophobicContact CD2-CE2 4.1Å; L1606-F1610 HydrophobicContact CD2-CZ 3.45Å; L1606-F1610 VanDerWaalsContact CD2-CZ 3.45Å; L1606-F1610 HydrophobicContact CG-CZ 4.48Å; L1606-F1610 WeakPolarHBondContact O-CD2 3.49Å; L1606-F1610 VanDerWaalsContact O-CG 3.28Å; L1606-F1610 WeakPolarHBondContact O-CG 3.2Å; L1606-F1610 PolarHBondContact O-N 3.05Å; P1607-F1610 PolarHBondContact O-N 3.35Å; F1610-L1612 PolarHBondContact O-N 3.14Å; F1610-N1613 WeakPolarHBondContact O-CB 3.42Å; F1610-N1613 PolarHBondContact O-N 3.43Å; F1610-H1614 PolarHBondContact O-CD2 2.89Å; F1610-H1614 PolarHBondContact O-N 2.97Å
1611Y84.6Confident80.8Confident38 Ų3834.4 Ų34.415%0.14920%0.2CC..Hα-helixtrans-59.5-46175.8-170.3-81.2000112.1T96 I97 H100 E1522 P1607 H1608 L1609 N1613 H1614 G1615T96-Y1611 PolarHBondContact OG1-OH 3.26Å; I97-Y1611 HydrophobicContact CB-CE1 4.3Å; I97-Y1611 HydrophobicContact CG1-CE1 3.88Å; I97-Y1611 VanDerWaalsContact CG1-OH 3.3Å; I97-Y1611 WeakPolarHBondContact CG1-OH 3.49Å; H100-Y1611 HydrophobicContact CB-CD1 3.95Å; H100-Y1611 HydrophobicContact CB-CG 4.24Å; H100-Y1611 AromaticContact CD2-CD1 3.58Å; H100-Y1611 AromaticContact CD2-CD2 3.63Å; H100-Y1611 AromaticContact CD2-CE1 3.93Å; H100-Y1611 AromaticContact CD2-CE2 3.98Å; H100-Y1611 AromaticContact CD2-CG 3.43Å; H100-Y1611 VanDerWaalsContact CD2-CG 3.43Å; H100-Y1611 AromaticContact CG-CD1 3.81Å; H100-Y1611 AromaticContact CG-CG 3.67Å; H100-Y1611 AromaticContact NE2-CD2 3.57Å; H100-Y1611 AromaticContact NE2-CG 3.77Å; E1522-Y1611 HydrophobicContact CG-CD2 4.47Å; P1607-Y1611 PolarHBondContact O-N 3.22Å; P1607-Y1611 VanDerWaalsContact O-N 3.13Å; H1608-Y1611 PolarHBondContact O-N 2.77Å; L1609-Y1611 PolarHBondContact O-N 3.16Å; Y1611-N1613 PolarHBondContact O-N 3.12Å; Y1611-H1614 PolarHBondContact O-N 3.35Å; Y1611-G1615 PolarHBondContact O-N 3.43Å; Y1611-G1615 VanDerWaalsContact O-N 3.07Å
1612L82.1Confident81Confident2 Ų232.7 Ų32.71%0.0119%0.189CC..Hα-helixtrans-65.8-37.4178.5-69.1171.4000112.8I80 C84 L87 T104 H1608 L1609 F1610 H1614 G1615 S1616I80-L1612 HydrophobicContact CG2-CD1 4.16Å; C84-L1612 WeakPolarHBondContact SG-CD1 3.45Å; L87-L1612 HydrophobicContact CD1-CD2 3.96Å; T104-L1612 HydrophobicContact CG2-CD1 3.8Å; T104-L1612 WeakPolarHBondContact OG1-CD1 3.44Å; H1608-L1612 WeakPolarHBondContact O-CG 3.48Å; H1608-L1612 PolarHBondContact O-N 3.43Å; H1608-L1612 VanDerWaalsContact O-N 3.12Å; L1609-L1612 PolarHBondContact O-N 3.27Å; F1610-L1612 PolarHBondContact O-N 3.14Å; L1612-H1614 VanDerWaalsContact C-N 3.35Å; L1612-G1615 PolarHBondContact O-N 2.93Å; L1612-S1616 PolarHBondContact O-N 3.21Å; L1612-S1616 VanDerWaalsContact O-N 3.15Å
1613N83.6Confident81.3Confident0 Ų032.6 Ų32.60%019%0.188CC..Hα-helixtrans-59.6-44.1172.8172.558000111.1K1563 L1609 F1610 Y1611 G1615 S1616 A1620 M1623K1563-N1613 WeakPolarHBondContact CA-ND2 3.17Å; K1563-N1613 VanDerWaalsContact CE-O 3.28Å; K1563-N1613 WeakPolarHBondContact CE-O 3.27Å; K1563-N1613 WeakPolarHBondContact CG-O 3.27Å; K1563-N1613 PolarHBondContact O-ND2 3.3Å; L1609-N1613 VanDerWaalsContact O-CB 3.25Å; L1609-N1613 WeakPolarHBondContact O-CB 3.45Å; L1609-N1613 PolarHBondContact O-N 3.39Å; F1610-N1613 WeakPolarHBondContact O-CB 3.42Å; F1610-N1613 PolarHBondContact O-N 3.43Å; Y1611-N1613 PolarHBondContact O-N 3.12Å; N1613-G1615 VanDerWaalsContact C-N 3.31Å; N1613-G1615 PolarHBondContact O-N 3.45Å; N1613-S1616 PolarHBondContact O-N 3.3Å; N1613-A1620 WeakPolarHBondContact OD1-CA 3.4Å; N1613-A1620 WeakPolarHBondContact OD1-CB 3.47Å; N1613-M1623 HydrophobicContact CB-SD 4.04Å
1614H79.5Confident81.6Confident29 Ų2926.9 Ų26.913%0.13416%0.163CC..Hα-helixtrans-65-34.5175.4-77-65.5000113.1R1525 K1563 E1567 F1610 Y1611 L1612R1525-H1614 PolarHBondContact NH1-CD2 2.98Å; K1563-H1614 WeakPolarHBondContact CE-O 3.47Å; K1563-H1614 PolarHBondContact NZ-O 3.22Å; E1567-H1614 IonicContact OE2-CD2 3.74Å; E1567-H1614 IonicContact OE2-CE1 3.8Å; E1567-H1614 PolarHBondContact OE2-CE1 3.43Å; E1567-H1614 IonicContact OE2-NE2 2.77Å; E1567-H1614 PolarHBondContact OE2-NE2 3.13Å; F1610-H1614 PolarHBondContact O-CD2 2.89Å; F1610-H1614 PolarHBondContact O-N 2.97Å; Y1611-H1614 PolarHBondContact O-N 3.35Å; L1612-H1614 VanDerWaalsContact C-N 3.35Å
1615G75.5Confident81.8Confident66 Ų6623.6 Ų23.668%0.6815%0.145SC*.Hα-helixtrans-73.6-24.2179.300000115.7Y1611 L1612 N1613Y1611-G1615 PolarHBondContact O-N 3.43Å; Y1611-G1615 VanDerWaalsContact O-N 3.07Å; L1612-G1615 PolarHBondContact O-N 2.93Å; N1613-G1615 VanDerWaalsContact C-N 3.31Å; N1613-G1615 PolarHBondContact O-N 3.45Å
1616S80.2Confident81.6Confident19 Ų1925.2 Ų25.213%0.13315%0.154CC..  trans-138.2121.9-173.4-179.50000113.7N83 L1612 N1613 A1618 V1619 A1620N83-S1616 VanDerWaalsContact ND2-CB 3.34Å; N83-S1616 WeakPolarHBondContact ND2-CB 3.42Å; L1612-S1616 PolarHBondContact O-N 3.21Å; L1612-S1616 VanDerWaalsContact O-N 3.15Å; N1613-S1616 PolarHBondContact O-N 3.3Å; S1616-A1618 VanDerWaalsContact C-N 3.26Å; S1616-A1618 PolarHBondContact O-N 3.35Å; S1616-A1618 PolarHBondContact OG-N 2.79Å; S1616-V1619 PolarHBondContact O-N 2.63Å; S1616-A1620 PolarHBondContact O-N 3.35Å; S1616-A1620 VanDerWaalsContact O-N 3.16Å
1617D79.3Confident81.6Confident69 Ų6925 Ų2537%0.36915%0.153SC..Hα-helixtrans-64.3-30.8175.9-66.9-25.8000112.4N1560 K1563 Y1621N1560-D1617 WeakPolarHBondContact CB-OD1 3.49Å; N1560-D1617 PolarHBondContact ND2-OD1 3.14Å; K1563-D1617 WeakPolarHBondContact CE-OD1 3.49Å; K1563-D1617 IonicContact NZ-OD1 2.78Å; K1563-D1617 PolarHBondContact NZ-OD1 3.47Å; D1617-Y1621 WeakPolarHBondContact O-CB 3.36Å; D1617-Y1621 PolarHBondContact O-N 3.09Å
1618A76.5Confident81.6Confident65 Ų6522.6 Ų22.654%0.53714%0.137SC..Hα-helixtrans-71.6-36.8178.900000112.3S1616 Y1621 S1622S1616-A1618 VanDerWaalsContact C-N 3.26Å; S1616-A1618 PolarHBondContact O-N 3.35Å; S1616-A1618 PolarHBondContact OG-N 2.79Å; A1618-Y1621 PolarHBondContact O-N 3.42Å; A1618-S1622 PolarHBondContact O-N 3.47Å; A1618-S1622 PolarHBondContact O-OG 3.5Å
1619V80.4Confident81.5Confident2 Ų224.7 Ų24.71%0.01215%0.145CC..Hα-helixtrans-66.7-46.1174.3171.30000110I80 N83 S1616 Y1621 S1622 M1623I80-V1619 HydrophobicContact CG1-CG1 4.1Å; N83-V1619 HydrophobicContact CB-CG2 3.64Å; N83-V1619 WeakPolarHBondContact ND2-CG2 3.47Å; S1616-V1619 PolarHBondContact O-N 2.63Å; V1619-Y1621 VanDerWaalsContact C-N 3.3Å; V1619-Y1621 PolarHBondContact O-N 3.38Å; V1619-S1622 WeakPolarHBondContact CA-OG 3.47Å; V1619-S1622 PolarHBondContact O-N 3Å; V1619-S1622 VanDerWaalsContact O-N 3.15Å; V1619-S1622 PolarHBondContact O-OG 3Å; V1619-M1623 HydrophobicContact CG1-CG 4.13Å; V1619-M1623 HydrophobicContact CG1-SD 3.73Å; V1619-M1623 WeakPolarHBondContact O-CG 3.46Å; V1619-M1623 PolarHBondContact O-N 3.17Å
1620A82.5Confident81.3Confident0 Ų025.2 Ų25.20%015%0.149CC..Hα-helixtrans-57.3-43.7175.900000112.5I1562 K1563 N1613 S1616 W1624I1562-A1620 HydrophobicContact CG2-CB 4.46Å; K1563-A1620 HydrophobicContact CG-CB 3.69Å; N1613-A1620 WeakPolarHBondContact OD1-CA 3.4Å; N1613-A1620 WeakPolarHBondContact OD1-CB 3.47Å; S1616-A1620 PolarHBondContact O-N 3.35Å; S1616-A1620 VanDerWaalsContact O-N 3.16Å; A1620-W1624 VanDerWaalsContact O-CB 3.31Å; A1620-W1624 WeakPolarHBondContact O-CB 3.34Å; A1620-W1624 PolarHBondContact O-N 3.22Å
1621Y82.3Confident81Confident48 Ų4824.2 Ų24.219%0.18815%0.145CC..Hα-helixtrans-56.2-53.6173177.3-83.8000111.3D1617 A1618 V1619 M1623 W1624 M1625 T1669 D1672D1617-Y1621 WeakPolarHBondContact O-CB 3.36Å; D1617-Y1621 PolarHBondContact O-N 3.09Å; A1618-Y1621 PolarHBondContact O-N 3.42Å; V1619-Y1621 VanDerWaalsContact C-N 3.3Å; V1619-Y1621 PolarHBondContact O-N 3.38Å; Y1621-M1623 PolarHBondContact O-N 2.98Å; Y1621-W1624 PolarHBondContact O-N 3.12Å; Y1621-M1625 HydrophobicContact CD1-CG 4.2Å; Y1621-M1625 HydrophobicContact CE1-CE 4.37Å; Y1621-M1625 HydrophobicContact CE1-CG 3.97Å; Y1621-M1625 WeakPolarHBondContact O-CG 3.49Å; Y1621-M1625 PolarHBondContact O-N 3.41Å; Y1621-M1625 VanDerWaalsContact O-N 3.13Å; Y1621-T1669 HydrophobicContact CD2-CG2 3.18Å; Y1621-T1669 HydrophobicContact CE2-CG2 3.75Å; Y1621-T1669 HydrophobicContact CG-CG2 3.88Å; Y1621-D1672 HydrophobicContact CE2-CB 4.21Å; Y1621-D1672 VanDerWaalsContact CE2-OD2 3.31Å; Y1621-D1672 WeakPolarHBondContact CE2-OD2 3.28Å; Y1621-D1672 WeakPolarHBondContact OH-CB 3.39Å; Y1621-D1672 PolarHBondContact OH-OD2 3.09Å
1622S79.2Confident80.9Confident2 Ų222.6 Ų22.61%0.01414%0.138CC..Hα-helixtrans-63.8-43.8-178.751.60000113.8A1618 V1619 W1624 M1625 D1626A1618-S1622 PolarHBondContact O-N 3.47Å; A1618-S1622 PolarHBondContact O-OG 3.5Å; V1619-S1622 WeakPolarHBondContact CA-OG 3.47Å; V1619-S1622 PolarHBondContact O-N 3Å; V1619-S1622 VanDerWaalsContact O-N 3.15Å; V1619-S1622 PolarHBondContact O-OG 3Å; S1622-W1624 VanDerWaalsContact C-N 3.33Å; S1622-W1624 PolarHBondContact O-N 3.48Å; S1622-M1625 PolarHBondContact O-N 3.11Å; S1622-D1626 VanDerWaalsContact O-CG 3.31Å; S1622-D1626 PolarHBondContact O-N 3.36Å; S1622-D1626 VanDerWaalsContact O-N 3.14Å
1623M83.3Confident80.7Confident1 Ų126.7 Ų26.71%0.00517%0.167CC..Hα-helixtrans-63.7-41.3-179.4-72-177.572.800111.1I75 I80 V1566 L1570 L1609 N1613 V1619 Y1621 D1626 C1627I75-M1623 HydrophobicContact CD1-CE 4.07Å; I75-M1623 HydrophobicContact CG2-CG 4.24Å; I80-M1623 HydrophobicContact CD1-CG 4.02Å; I80-M1623 HydrophobicContact CD1-SD 4.18Å; V1566-M1623 HydrophobicContact CG1-CB 4.07Å; V1566-M1623 HydrophobicContact CG1-CE 3.88Å; V1566-M1623 HydrophobicContact CG1-SD 4.46Å; V1566-M1623 HydrophobicContact CG2-CB 4.37Å; L1570-M1623 HydrophobicContact CD1-CE 3.98Å; L1609-M1623 HydrophobicContact CB-CE 4.3Å; L1609-M1623 HydrophobicContact CD1-CE 4.42Å; N1613-M1623 HydrophobicContact CB-SD 4.04Å; V1619-M1623 HydrophobicContact CG1-CG 4.13Å; V1619-M1623 HydrophobicContact CG1-SD 3.73Å; V1619-M1623 WeakPolarHBondContact O-CG 3.46Å; V1619-M1623 PolarHBondContact O-N 3.17Å; Y1621-M1623 PolarHBondContact O-N 2.98Å; M1623-D1626 PolarHBondContact O-N 3.47Å; M1623-C1627 VanDerWaalsContact O-CB 3.26Å; M1623-C1627 WeakPolarHBondContact O-CB 3.27Å; M1623-C1627 PolarHBondContact O-N 3.47Å; M1623-C1627 PolarHBondContact O-SG 2.96Å
1624W87.5Confident80.5Confident10 Ų1027.3 Ų27.34%0.03817%0.171CC..Hα-helixtrans-62.6-45.5177-178.8-100.6000112.3L1544 I1562 C1565 V1566 M1569 A1620 Y1621 S1622 D1626 C1627 F1628 L1670L1544-W1624 HydrophobicContact CD1-CH2 4.07Å; I1562-W1624 HydrophobicContact CG2-CB 3.68Å; I1562-W1624 HydrophobicContact CG2-CD2 4.28Å; I1562-W1624 HydrophobicContact CG2-CG 3.91Å; C1565-W1624 HydrophobicContact CB-CE3 4.07Å; C1565-W1624 HydrophobicContact CB-CH2 4.21Å; C1565-W1624 HydrophobicContact CB-CZ3 3.63Å; V1566-W1624 HydrophobicContact CG2-CB 3.89Å; V1566-W1624 HydrophobicContact CG2-CE3 3.86Å; M1569-W1624 HydrophobicContact CG-CH2 4.4Å; M1569-W1624 HydrophobicContact CG-CZ3 3.92Å; A1620-W1624 VanDerWaalsContact O-CB 3.31Å; A1620-W1624 WeakPolarHBondContact O-CB 3.34Å; A1620-W1624 PolarHBondContact O-N 3.22Å; Y1621-W1624 PolarHBondContact O-N 3.12Å; S1622-W1624 VanDerWaalsContact C-N 3.33Å; S1622-W1624 PolarHBondContact O-N 3.48Å; W1624-D1626 VanDerWaalsContact C-N 3.31Å; W1624-D1626 PolarHBondContact O-N 3.24Å; W1624-C1627 PolarHBondContact O-N 3.43Å; W1624-F1628 AromaticContact CZ2-CD2 3.94Å; W1624-F1628 HydrophobicContact CZ2-CD2 3.94Å; W1624-F1628 VanDerWaalsContact O-CB 3.28Å; W1624-F1628 WeakPolarHBondContact O-CB 2.88Å; W1624-F1628 PolarHBondContact O-N 3.21Å; W1624-L1670 HydrophobicContact CZ2-CD2 3.44Å; W1624-L1670 VanDerWaalsContact CZ2-CD2 3.44Å
1625M81Confident80.6Confident22 Ų2226.6 Ų26.611%0.10817%0.168CC..Hα-helixtrans-57.6-45.8179.2-64.7-75-81.400111.3Y1621 S1622 K1629 D1672 A1673Y1621-M1625 HydrophobicContact CD1-CG 4.2Å; Y1621-M1625 HydrophobicContact CE1-CE 4.37Å; Y1621-M1625 HydrophobicContact CE1-CG 3.97Å; Y1621-M1625 WeakPolarHBondContact O-CG 3.49Å; Y1621-M1625 PolarHBondContact O-N 3.41Å; Y1621-M1625 VanDerWaalsContact O-N 3.13Å; S1622-M1625 PolarHBondContact O-N 3.11Å; M1625-K1629 WeakPolarHBondContact O-CB 3.46Å; M1625-K1629 VanDerWaalsContact O-CG 3.25Å; M1625-K1629 WeakPolarHBondContact O-CG 3.03Å; M1625-K1629 PolarHBondContact O-N 3.26Å; M1625-K1629 VanDerWaalsContact O-N 3.13Å; M1625-D1672 VanDerWaalsContact CE-C 3.47Å; M1625-D1672 HydrophobicContact CE-CB 3.73Å; M1625-D1672 WeakPolarHBondContact CE-O 3.32Å; M1625-D1672 VanDerWaalsContact SD-C 3.55Å; M1625-D1672 HydrophobicContact SD-CB 3.84Å; M1625-A1673 WeakPolarHBondContact SD-CA 3.35Å; M1625-A1673 HydrophobicContact SD-CB 3.58Å; M1625-A1673 VanDerWaalsContact SD-CB 3.58Å; M1625-A1673 PolarHBondContact SD-N 3.02Å
1626D78.3Confident80.9Confident35 Ų3525.1 Ų25.119%0.18715%0.147CC..Hα-helixtrans-71.9-42.6-178.7-60.6-23.8000111.9R74 S76 S1622 M1623 W1624 S1630R74-D1626 CarbonylContact O-C 3.58Å; R74-D1626 VanDerWaalsContact O-CB 3.27Å; R74-D1626 WeakPolarHBondContact O-CB 3.42Å; S76-D1626 WeakPolarHBondContact CA-OD2 3.47Å; S76-D1626 WeakPolarHBondContact CB-OD2 3.4Å; S76-D1626 PolarHBondContact N-OD2 3.3Å; S76-D1626 PolarHBondContact OG-OD2 3.39Å; S1622-D1626 VanDerWaalsContact O-CG 3.31Å; S1622-D1626 PolarHBondContact O-N 3.36Å; S1622-D1626 VanDerWaalsContact O-N 3.14Å; M1623-D1626 PolarHBondContact O-N 3.47Å; W1624-D1626 VanDerWaalsContact C-N 3.31Å; W1624-D1626 PolarHBondContact O-N 3.24Å; D1626-S1630 WeakPolarHBondContact O-CB 3.31Å; D1626-S1630 PolarHBondContact O-N 2.86Å; D1626-S1630 PolarHBondContact O-OG 2.91Å
1627C81.9Confident80.8Confident1 Ų129.2 Ų29.21%0.00717%0.171CC..Hα-helixtrans-61.2-46.3176-70.70000111.4F73 M1623 W1624 S1630 L1631F73-C1627 HydrophobicContact CD1-CB 4.4Å; M1623-C1627 VanDerWaalsContact O-CB 3.26Å; M1623-C1627 WeakPolarHBondContact O-CB 3.27Å; M1623-C1627 PolarHBondContact O-N 3.47Å; M1623-C1627 PolarHBondContact O-SG 2.96Å; W1624-C1627 PolarHBondContact O-N 3.43Å; C1627-S1630 PolarHBondContact O-OG 3.29Å; C1627-L1631 WeakPolarHBondContact O-CB 3.39Å; C1627-L1631 VanDerWaalsContact O-CG 3.23Å; C1627-L1631 WeakPolarHBondContact O-CG 3.17Å; C1627-L1631 PolarHBondContact O-N 3.16Å
1628F84.7Confident80.8Confident7 Ų733.3 Ų33.33%0.03119%0.188CC..Hα-helixtrans-66.7-45.3-177.8-169.9-92.1000111.9L1544 W1624 S1630 L1631 W1632 L1647 A1673 L1674 L1677L1544-F1628 HydrophobicContact CD1-CE2 4.43Å; L1544-F1628 HydrophobicContact CD2-CE2 4.08Å; W1624-F1628 AromaticContact CZ2-CD2 3.94Å; W1624-F1628 HydrophobicContact CZ2-CD2 3.94Å; W1624-F1628 VanDerWaalsContact O-CB 3.28Å; W1624-F1628 WeakPolarHBondContact O-CB 2.88Å; W1624-F1628 PolarHBondContact O-N 3.21Å; F1628-S1630 PolarHBondContact O-N 3.3Å; F1628-L1631 PolarHBondContact O-N 2.75Å; F1628-W1632 HydrophobicContact CZ-CE3 4.5Å; F1628-W1632 WeakPolarHBondContact O-CB 3.39Å; F1628-W1632 PolarHBondContact O-N 3.06Å; F1628-L1647 HydrophobicContact CZ-CD1 4.32Å; F1628-A1673 HydrophobicContact CB-CB 4.18Å; F1628-A1673 HydrophobicContact CD1-CB 3.93Å; F1628-A1673 HydrophobicContact CG-CB 4.17Å; F1628-L1674 HydrophobicContact CE1-CD2 3.83Å; F1628-L1674 HydrophobicContact CZ-CD2 4.05Å; F1628-L1677 HydrophobicContact CD1-CD1 4.29Å; F1628-L1677 HydrophobicContact CE1-CD1 3.8Å
1629K80.6Confident81Confident78 Ų7831 Ų3134%0.33917%0.166SC..Hα-helixtrans-62.1-43.9178.4-73.2-178174.9-154.80112.5M1625 W1632 S1633 R1675 L1677M1625-K1629 WeakPolarHBondContact O-CB 3.46Å; M1625-K1629 VanDerWaalsContact O-CG 3.25Å; M1625-K1629 WeakPolarHBondContact O-CG 3.03Å; M1625-K1629 PolarHBondContact O-N 3.26Å; M1625-K1629 VanDerWaalsContact O-N 3.13Å; K1629-W1632 PolarHBondContact O-N 3.24Å; K1629-S1633 PolarHBondContact O-N 2.92Å; K1629-R1675 VanDerWaalsContact CE-O 3.31Å; K1629-R1675 WeakPolarHBondContact CE-O 3.48Å; K1629-R1675 PolarHBondContact NZ-O 3.35Å; K1629-L1677 HydrophobicContact CB-CD2 4.2Å; K1629-L1677 HydrophobicContact CG-CD2 3.75Å
1630S78.3Confident81.1Confident11 Ų1132.1 Ų32.18%0.07717%0.171CC..Hα-helixtrans-65.5-43.1178.654.10000112R72 R74 D1626 C1627 F1628 S1633 S1634R72-S1630 WeakPolarHBondContact O-CB 3.43Å; R74-S1630 PolarHBondContact N-OG 3.03Å; D1626-S1630 WeakPolarHBondContact O-CB 3.31Å; D1626-S1630 PolarHBondContact O-N 2.86Å; D1626-S1630 PolarHBondContact O-OG 2.91Å; C1627-S1630 PolarHBondContact O-OG 3.29Å; F1628-S1630 PolarHBondContact O-N 3.3Å; S1630-S1633 PolarHBondContact O-N 3.42Å; S1630-S1633 PolarHBondContact O-OG 2.87Å; S1630-S1634 PolarHBondContact O-N 3.2Å
1631L79Confident81.1Confident3 Ų336.8 Ų36.82%0.01619%0.193CC..Hα-helixtrans-62.1-45.2173.9-75.3174.4000113P71 F73 A1540 M1569 C1627 F1628 S1633 S1634 F1635P71-L1631 HydrophobicContact CB-CD2 3.95Å; F73-L1631 HydrophobicContact CD1-CD1 4.37Å; F73-L1631 HydrophobicContact CD1-CD2 4.21Å; F73-L1631 HydrophobicContact CD1-CG 4.14Å; F73-L1631 HydrophobicContact CE1-CD1 3.73Å; F73-L1631 HydrophobicContact CE1-CD2 3.65Å; F73-L1631 HydrophobicContact CE1-CG 3.79Å; F73-L1631 HydrophobicContact CZ-CD1 4.5Å; F73-L1631 HydrophobicContact CZ-CD2 3.81Å; F73-L1631 HydrophobicContact CZ-CG 4.45Å; A1540-L1631 HydrophobicContact CB-CD2 3.95Å; M1569-L1631 HydrophobicContact CE-CD1 3.3Å; C1627-L1631 WeakPolarHBondContact O-CB 3.39Å; C1627-L1631 VanDerWaalsContact O-CG 3.23Å; C1627-L1631 WeakPolarHBondContact O-CG 3.17Å; C1627-L1631 PolarHBondContact O-N 3.16Å; F1628-L1631 PolarHBondContact O-N 2.75Å; L1631-S1633 PolarHBondContact O-N 3.42Å; L1631-S1634 PolarHBondContact O-N 2.53Å; L1631-S1634 PolarHBondContact O-OG 2.95Å; L1631-F1635 HydrophobicContact CB-CE2 3.91Å; L1631-F1635 HydrophobicContact CB-CZ 3.85Å; L1631-F1635 HydrophobicContact CD2-CZ 4.22Å; L1631-F1635 HydrophobicContact CG-CZ 4.45Å; L1631-F1635 WeakPolarHBondContact O-CD2 3.46Å; L1631-F1635 WeakPolarHBondContact O-CG 3.44Å; L1631-F1635 PolarHBondContact O-N 3.03Å
1632W82.7Confident81.2Confident4 Ų435.4 Ų35.42%0.01519%0.193CC..Hα-helixtrans-56.7-41178.6-171.3-102.4000111.6F1628 K1629 S1634 F1635 K1640 I1643 L1677 P1679 V1681F1628-W1632 HydrophobicContact CZ-CE3 4.5Å; F1628-W1632 WeakPolarHBondContact O-CB 3.39Å; F1628-W1632 PolarHBondContact O-N 3.06Å; K1629-W1632 PolarHBondContact O-N 3.24Å; W1632-S1634 PolarHBondContact O-N 3.09Å; W1632-F1635 HydrophobicContact CE3-CD2 4.42Å; W1632-F1635 PolarHBondContact O-N 2.66Å; W1632-K1640 HydrophobicContact CD2-CD 4.49Å; W1632-K1640 HydrophobicContact CD2-CG 4.15Å; W1632-K1640 HydrophobicContact CE3-CG 4.17Å; W1632-K1640 HydrophobicContact CH2-CB 3.55Å; W1632-K1640 HydrophobicContact CH2-CG 3.76Å; W1632-K1640 WeakPolarHBondContact CH2-O 3.38Å; W1632-K1640 HydrophobicContact CZ2-CB 3.77Å; W1632-K1640 HydrophobicContact CZ2-CD 4Å; W1632-K1640 HydrophobicContact CZ2-CG 3.72Å; W1632-K1640 HydrophobicContact CZ3-CB 4.09Å; W1632-K1640 HydrophobicContact CZ3-CG 3.98Å; W1632-K1640 WeakPolarHBondContact O-CE 3.04Å; W1632-K1640 PolarHBondContact O-NZ 3.19Å; W1632-K1640 VanDerWaalsContact O-NZ 3.13Å; W1632-I1643 HydrophobicContact CZ3-CB 4.24Å; W1632-I1643 HydrophobicContact CZ3-CG2 4.05Å; W1632-L1677 HydrophobicContact CB-CD2 3.95Å; W1632-L1677 HydrophobicContact CD2-CD1 4.34Å; W1632-L1677 HydrophobicContact CG-CD1 4.11Å; W1632-L1677 HydrophobicContact CG-CD2 3.99Å; W1632-L1677 HydrophobicContact CG-CG 4.48Å; W1632-P1679 PolarHBondContact NE1-O 2.9Å; W1632-V1681 HydrophobicContact CH2-CG1 4.31Å; W1632-V1681 HydrophobicContact CH2-CG2 3.92Å; W1632-V1681 HydrophobicContact CZ2-CG2 3.74Å; W1632-V1681 HydrophobicContact CZ3-CG2 4.45Å
1633S79.3Confident81.4Confident88 Ų8835.3 Ų35.362%0.61519%0.193SC*.Hα-helixtrans-62.6-29176.974.40000113.5K1629 S1630 L1631K1629-S1633 PolarHBondContact O-N 2.92Å; S1630-S1633 PolarHBondContact O-N 3.42Å; S1630-S1633 PolarHBondContact O-OG 2.87Å; L1631-S1633 PolarHBondContact O-N 3.42Å
1634S78.3Confident81.4Confident13 Ų1335.7 Ų35.79%0.09120%0.195CC..Hα-helixtrans-85.8-18.3-178.567.30000115S68 S1630 L1631 W1632S68-S1634 PolarHBondContact OG-O 2.74Å; S68-S1634 VanDerWaalsContact OG-O 3.11Å; S1630-S1634 PolarHBondContact O-N 3.2Å; L1631-S1634 PolarHBondContact O-N 2.53Å; L1631-S1634 PolarHBondContact O-OG 2.95Å; W1632-S1634 PolarHBondContact O-N 3.09Å
1635F80.9Confident81.2Confident14 Ų1442.8 Ų42.86%0.06122%0.222CC..SBendtrans-77.7148-176-64.3-36.7000113.7F1541 L1544 L1631 W1632 Q1639 K1640 I1643F1541-F1635 HydrophobicContact CB-CD1 4.39Å; F1541-F1635 HydrophobicContact CB-CE1 3.9Å; F1541-F1635 HydrophobicContact CD2-CD1 4.47Å; F1541-F1635 HydrophobicContact CD2-CE1 4.43Å; L1544-F1635 HydrophobicContact CD2-CE2 3.8Å; L1544-F1635 HydrophobicContact CD2-CZ 4.17Å; L1631-F1635 HydrophobicContact CB-CE2 3.91Å; L1631-F1635 HydrophobicContact CB-CZ 3.85Å; L1631-F1635 HydrophobicContact CD2-CZ 4.22Å; L1631-F1635 HydrophobicContact CG-CZ 4.45Å; L1631-F1635 WeakPolarHBondContact O-CD2 3.46Å; L1631-F1635 WeakPolarHBondContact O-CG 3.44Å; L1631-F1635 PolarHBondContact O-N 3.03Å; W1632-F1635 HydrophobicContact CE3-CD2 4.42Å; W1632-F1635 PolarHBondContact O-N 2.66Å; F1635-Q1639 HydrophobicContact CB-CB 4.12Å; F1635-K1640 HydrophobicContact CB-CG 3.98Å; F1635-K1640 WeakPolarHBondContact O-CE 3.46Å; F1635-K1640 PolarHBondContact O-NZ 3.02Å; F1635-I1643 HydrophobicContact CD2-CD1 3.66Å; F1635-I1643 HydrophobicContact CE2-CD1 3.6Å; F1635-I1643 HydrophobicContact CG-CD1 4.48Å; F1635-I1643 HydrophobicContact CZ-CD1 4.38Å
1636S81.9Confident81.4Confident35 Ų3542.2 Ų42.225%0.24522%0.221CC..  trans-69.2162.7172.778.70000111.6Q1638 Q1639 K1640S1636-Q1638 VanDerWaalsContact C-N 3.3Å; S1636-Q1638 PolarHBondContact O-N 3.35Å; S1636-Q1639 PolarHBondContact O-N 2.76Å; S1636-Q1639 VanDerWaalsContact OG-CG 3.31Å; S1636-Q1639 WeakPolarHBondContact OG-CG 3.38Å; S1636-Q1639 PolarHBondContact OG-N 3.24Å; S1636-K1640 WeakPolarHBondContact O-CG 2.99Å; S1636-K1640 PolarHBondContact O-N 3.04Å
1637V78.8Confident81.7Confident106 Ų10640.8 Ų40.864%0.64221%0.213SC*.Hα-helixtrans-59.5-40.4-179.8-179.10000111.7K1640 E1641V1637-K1640 WeakPolarHBondContact O-CB 3.46Å; V1637-K1640 PolarHBondContact O-N 2.9Å; V1637-E1641 PolarHBondContact O-N 3.45Å; V1637-E1641 VanDerWaalsContact O-N 3.08Å
1638Q79.6Confident81.8Confident155 Ų15542.4 Ų42.472%0.72422%0.222SC*.Hα-helixtrans-67-41178.6-67.4-177.7-6.600112.3S1636 K1640 E1641 G1642S1636-Q1638 VanDerWaalsContact C-N 3.3Å; S1636-Q1638 PolarHBondContact O-N 3.35Å; Q1638-K1640 VanDerWaalsContact C-N 3.35Å; Q1638-E1641 PolarHBondContact O-N 3.31Å; Q1638-G1642 PolarHBondContact O-N 3.36Å
1639Q81.1Confident81.7Confident15 Ų1550.8 Ų50.87%0.0726%0.255CS..Hα-helixtrans-62.9-42.2175.4-73.1175-400111.3E66 F1541 F1635 S1636 E1641 G1642 I1643E66-Q1639 PolarHBondContact OE2-NE2 3.45Å; F1541-Q1639 HydrophobicContact CD1-CG 4.28Å; F1541-Q1639 HydrophobicContact CD2-CB 3.66Å; F1541-Q1639 HydrophobicContact CD2-CG 3.74Å; F1541-Q1639 HydrophobicContact CE1-CG 4.18Å; F1541-Q1639 HydrophobicContact CE2-CB 3.41Å; F1541-Q1639 VanDerWaalsContact CE2-CB 3.41Å; F1541-Q1639 HydrophobicContact CE2-CG 3.63Å; F1541-Q1639 HydrophobicContact CG-CB 4.48Å; F1541-Q1639 HydrophobicContact CG-CG 4.08Å; F1541-Q1639 HydrophobicContact CZ-CB 4.05Å; F1541-Q1639 HydrophobicContact CZ-CG 3.86Å; F1635-Q1639 HydrophobicContact CB-CB 4.12Å; S1636-Q1639 PolarHBondContact O-N 2.76Å; S1636-Q1639 VanDerWaalsContact OG-CG 3.31Å; S1636-Q1639 WeakPolarHBondContact OG-CG 3.38Å; S1636-Q1639 PolarHBondContact OG-N 3.24Å; Q1639-E1641 PolarHBondContact O-N 3.26Å; Q1639-G1642 PolarHBondContact O-N 3.49Å; Q1639-I1643 WeakPolarHBondContact O-CG1 3.13Å; Q1639-I1643 PolarHBondContact O-N 3.44Å
1640K83Confident81.9Confident26 Ų2647.7 Ų47.711%0.11324%0.241CC..Hα-helixtrans-60.1-43.8175.4-73.5173.1175.4170.20112.4W1632 F1635 S1636 V1637 Q1638 S1644 P1679W1632-K1640 HydrophobicContact CD2-CD 4.49Å; W1632-K1640 HydrophobicContact CD2-CG 4.15Å; W1632-K1640 HydrophobicContact CE3-CG 4.17Å; W1632-K1640 HydrophobicContact CH2-CB 3.55Å; W1632-K1640 HydrophobicContact CH2-CG 3.76Å; W1632-K1640 WeakPolarHBondContact CH2-O 3.38Å; W1632-K1640 HydrophobicContact CZ2-CB 3.77Å; W1632-K1640 HydrophobicContact CZ2-CD 4Å; W1632-K1640 HydrophobicContact CZ2-CG 3.72Å; W1632-K1640 HydrophobicContact CZ3-CB 4.09Å; W1632-K1640 HydrophobicContact CZ3-CG 3.98Å; W1632-K1640 WeakPolarHBondContact O-CE 3.04Å; W1632-K1640 PolarHBondContact O-NZ 3.19Å; W1632-K1640 VanDerWaalsContact O-NZ 3.13Å; F1635-K1640 HydrophobicContact CB-CG 3.98Å; F1635-K1640 WeakPolarHBondContact O-CE 3.46Å; F1635-K1640 PolarHBondContact O-NZ 3.02Å; S1636-K1640 WeakPolarHBondContact O-CG 2.99Å; S1636-K1640 PolarHBondContact O-N 3.04Å; V1637-K1640 WeakPolarHBondContact O-CB 3.46Å; V1637-K1640 PolarHBondContact O-N 2.9Å; Q1638-K1640 VanDerWaalsContact C-N 3.35Å; K1640-S1644 WeakPolarHBondContact O-CB 3.39Å; K1640-S1644 PolarHBondContact O-N 3.01Å; K1640-S1644 PolarHBondContact O-OG 3.33Å; K1640-P1679 HydrophobicContact CD-CG 4.22Å
1641E82Confident82.1Confident98 Ų9847.5 Ų47.546%0.45824%0.239SC..Hα-helixtrans-63.9-43.1175.3-76.1-173.3-169.800112.4V1637 Q1638 Q1639 I1643 S1644 R1645V1637-E1641 PolarHBondContact O-N 3.45Å; V1637-E1641 VanDerWaalsContact O-N 3.08Å; Q1638-E1641 PolarHBondContact O-N 3.31Å; Q1639-E1641 PolarHBondContact O-N 3.26Å; E1641-I1643 PolarHBondContact O-N 3.42Å; E1641-S1644 PolarHBondContact O-N 3.29Å; E1641-R1645 PolarHBondContact O-N 3.42Å; E1641-R1645 IonicContact OE2-NH2 2.89Å; E1641-R1645 PolarHBondContact OE2-NH2 3.36Å; E1641-R1645 VanDerWaalsContact OE2-NH2 3.17Å
1642G83.3Confident82.2Confident20 Ų2051.3 Ų51.321%0.20626%0.259CS..Hα-helixtrans-58.7-46.517700000112.5Q1638 Q1639 A1646Q1638-G1642 PolarHBondContact O-N 3.36Å; Q1639-G1642 PolarHBondContact O-N 3.49Å; G1642-A1646 PolarHBondContact O-N 3.11Å; G1642-A1646 VanDerWaalsContact O-N 3.16Å
1643I84.2Confident82.2Confident0 Ų055 Ų550%028%0.279CS..Hα-helixtrans-64.4-41.2175.6-69.1160.9000111.1F1541 L1544 L1548 W1632 F1635 Q1639 E1641 R1645 A1646 L1647F1541-I1643 HydrophobicContact CD2-CD1 3.76Å; F1541-I1643 HydrophobicContact CD2-CG1 4.3Å; F1541-I1643 HydrophobicContact CE2-CD1 3.71Å; F1541-I1643 HydrophobicContact CE2-CG1 3.8Å; L1544-I1643 HydrophobicContact CD2-CD1 3.89Å; L1544-I1643 HydrophobicContact CD2-CG1 4.48Å; L1548-I1643 HydrophobicContact CD1-CG2 4.15Å; W1632-I1643 HydrophobicContact CZ3-CB 4.24Å; W1632-I1643 HydrophobicContact CZ3-CG2 4.05Å; F1635-I1643 HydrophobicContact CD2-CD1 3.66Å; F1635-I1643 HydrophobicContact CE2-CD1 3.6Å; F1635-I1643 HydrophobicContact CG-CD1 4.48Å; F1635-I1643 HydrophobicContact CZ-CD1 4.38Å; Q1639-I1643 WeakPolarHBondContact O-CG1 3.13Å; Q1639-I1643 PolarHBondContact O-N 3.44Å; E1641-I1643 PolarHBondContact O-N 3.42Å; I1643-R1645 PolarHBondContact O-N 3.09Å; I1643-A1646 PolarHBondContact O-N 3.28Å; I1643-L1647 HydrophobicContact CG2-CD1 3.7Å; I1643-L1647 HydrophobicContact CG2-CG 4.07Å; I1643-L1647 WeakPolarHBondContact O-CB 3.47Å; I1643-L1647 WeakPolarHBondContact O-CG 3.33Å; I1643-L1647 PolarHBondContact O-N 3.27Å
1644S83.4Confident81.9Confident8 Ų853.3 Ų53.36%0.05628%0.276CS..Hα-helixtrans-60.2-44.1-179.9-58.20000111.8K1640 E1641 L1647 N1648 V1681K1640-S1644 WeakPolarHBondContact O-CB 3.39Å; K1640-S1644 PolarHBondContact O-N 3.01Å; K1640-S1644 PolarHBondContact O-OG 3.33Å; E1641-S1644 PolarHBondContact O-N 3.29Å; S1644-L1647 PolarHBondContact O-N 3.29Å; S1644-N1648 PolarHBondContact O-N 3.16Å; S1644-V1681 WeakPolarHBondContact OG-CG1 3.29Å
1645R83.5Confident81.7Confident160 Ų16054.1 Ų54.160%0.60428%0.281SS*.Hα-helixtrans-64.1-44.9175.7-66.5-177.7-161138.412.6111.6E1641 I1643 N1648 Y1649E1641-R1645 PolarHBondContact O-N 3.42Å; E1641-R1645 IonicContact OE2-NH2 2.89Å; E1641-R1645 PolarHBondContact OE2-NH2 3.36Å; E1641-R1645 VanDerWaalsContact OE2-NH2 3.17Å; I1643-R1645 PolarHBondContact O-N 3.09Å; R1645-N1648 PolarHBondContact O-N 3.08Å; R1645-Y1649 VanDerWaalsContact O-CD2 3.22Å; R1645-Y1649 WeakPolarHBondContact O-CD2 3.4Å; R1645-Y1649 PolarHBondContact O-N 3.5Å
1646A84.4Confident81.4Confident10 Ų1053.8 Ų53.88%0.08328%0.28CS..Hα-helixtrans-62.1-42.9178.200000112.4F1545 L1548 T1549 G1642 I1643 N1648 Y1649 F1650F1545-A1646 HydrophobicContact CD2-CB 4.38Å; F1545-A1646 HydrophobicContact CE2-CB 4.04Å; L1548-A1646 HydrophobicContact CB-CB 4.36Å; T1549-A1646 HydrophobicContact CG2-CB 3.75Å; G1642-A1646 PolarHBondContact O-N 3.11Å; G1642-A1646 VanDerWaalsContact O-N 3.16Å; I1643-A1646 PolarHBondContact O-N 3.28Å; A1646-N1648 VanDerWaalsContact C-N 3.34Å; A1646-N1648 PolarHBondContact O-N 3.09Å; A1646-Y1649 PolarHBondContact O-N 3.24Å; A1646-F1650 WeakPolarHBondContact O-CB 3.47Å; A1646-F1650 PolarHBondContact O-N 3.16Å
1647L84.8Confident80.9Confident5 Ų555.7 Ų55.73%0.02629%0.293CS..Hα-helixtrans-59.9-41.6176.9-80.1170.7000112.3L1548 F1628 I1643 S1644 Y1649 F1650 L1651 L1674 V1681L1548-L1647 HydrophobicContact CD1-CD2 3.73Å; L1548-L1647 HydrophobicContact CD1-CG 3.82Å; L1548-L1647 HydrophobicContact CD2-CD2 3.65Å; L1548-L1647 HydrophobicContact CG-CD2 4.36Å; F1628-L1647 HydrophobicContact CZ-CD1 4.32Å; I1643-L1647 HydrophobicContact CG2-CD1 3.7Å; I1643-L1647 HydrophobicContact CG2-CG 4.07Å; I1643-L1647 WeakPolarHBondContact O-CB 3.47Å; I1643-L1647 WeakPolarHBondContact O-CG 3.33Å; I1643-L1647 PolarHBondContact O-N 3.27Å; S1644-L1647 PolarHBondContact O-N 3.29Å; L1647-Y1649 PolarHBondContact O-N 3.14Å; L1647-F1650 PolarHBondContact O-N 3.19Å; L1647-L1651 WeakPolarHBondContact O-CB 3.46Å; L1647-L1651 VanDerWaalsContact O-CG 3.27Å; L1647-L1651 WeakPolarHBondContact O-CG 2.92Å; L1647-L1651 PolarHBondContact O-N 3.33Å; L1647-L1674 HydrophobicContact CD1-CD2 4.19Å; L1647-V1681 HydrophobicContact CD1-CG1 4.28Å
1648N83.2Confident80.3Confident34 Ų3453.1 Ų53.118%0.18228%0.283CS..Hα-helixtrans-60.9-44.7-179.4-162.923.7000111.6S1644 R1645 A1646 L1652 T1687S1644-N1648 PolarHBondContact O-N 3.16Å; R1645-N1648 PolarHBondContact O-N 3.08Å; A1646-N1648 VanDerWaalsContact C-N 3.34Å; A1646-N1648 PolarHBondContact O-N 3.09Å; N1648-L1652 WeakPolarHBondContact O-CG 3.06Å; N1648-T1687 WeakPolarHBondContact OD1-CB 3.29Å; N1648-T1687 PolarHBondContact OD1-OG1 3.5Å
1649Y83.8Confident79.6Confident184 Ų18445.9 Ų45.972%0.72225%0.25SC*.Hα-helixtrans-69.7-38.5175.7-70.2-70000112.9R1645 A1646 L1647 L1652R1645-Y1649 VanDerWaalsContact O-CD2 3.22Å; R1645-Y1649 WeakPolarHBondContact O-CD2 3.4Å; R1645-Y1649 PolarHBondContact O-N 3.5Å; A1646-Y1649 PolarHBondContact O-N 3.24Å; L1647-Y1649 PolarHBondContact O-N 3.14Å; Y1649-L1652 PolarHBondContact O-N 3.31Å
1650F85Confident78.7Confident13 Ų1348.7 Ų48.76%0.05726%0.26CS..Hα-helixtrans-62-48179.2-178.8-100.6000111.8L1548 W1553 W1561 A1646 L1647 L1652 N1653 H1656 I1667 L1670L1548-F1650 HydrophobicContact CD2-CB 4.46Å; L1548-F1650 HydrophobicContact CD2-CD1 3.93Å; L1548-F1650 HydrophobicContact CD2-CD2 4.47Å; L1548-F1650 HydrophobicContact CD2-CE1 4.27Å; L1548-F1650 HydrophobicContact CD2-CG 4.03Å; L1548-F1650 WeakPolarHBondContact O-CD2 3.43Å; W1553-F1650 AromaticContact CD1-CE2 3.81Å; W1553-F1650 AromaticContact CD1-CZ 3.91Å; W1553-F1650 AromaticContact NE1-CE2 3.99Å; W1561-F1650 AromaticContact CH2-CE1 3.99Å; W1561-F1650 HydrophobicContact CH2-CE1 3.99Å; W1561-F1650 AromaticContact CH2-CZ 3.7Å; W1561-F1650 HydrophobicContact CH2-CZ 3.7Å; W1561-F1650 HydrophobicContact CZ2-CZ 4.26Å; A1646-F1650 WeakPolarHBondContact O-CB 3.47Å; A1646-F1650 PolarHBondContact O-N 3.16Å; L1647-F1650 PolarHBondContact O-N 3.19Å; F1650-L1652 PolarHBondContact O-N 3.28Å; F1650-N1653 VanDerWaalsContact O-CB 3.25Å; F1650-N1653 WeakPolarHBondContact O-CB 3.46Å; F1650-N1653 PolarHBondContact O-N 3.33Å; F1650-N1653 VanDerWaalsContact O-N 3.08Å; F1650-H1656 AromaticContact CE1-NE2 3.92Å; F1650-H1656 AromaticContact CZ-CE1 3.78Å; F1650-H1656 AromaticContact CZ-NE2 3.86Å; F1650-H1656 PolarHBondContact O-CD2 2.72Å; F1650-H1656 PolarHBondContact O-NE2 2.95Å; F1650-I1667 HydrophobicContact CE1-CD1 4.31Å; F1650-L1670 HydrophobicContact CE1-CD1 3.83Å
1651L82.1Confident77.6Confident7 Ų751.8 Ų51.84%0.03728%0.277CS..Hα-helixtrans-62.7-25.8-178.6-69.4173.3000113.4L1647 I1667 V1671 I1683 T1687 V1691L1647-L1651 WeakPolarHBondContact O-CB 3.46Å; L1647-L1651 VanDerWaalsContact O-CG 3.27Å; L1647-L1651 WeakPolarHBondContact O-CG 2.92Å; L1647-L1651 PolarHBondContact O-N 3.33Å; L1651-I1667 HydrophobicContact CD2-CG2 3.68Å; L1651-V1671 HydrophobicContact CD2-CG2 4.19Å; L1651-I1683 HydrophobicContact CD1-CD1 4Å; L1651-T1687 HydrophobicContact CB-CG2 4.04Å; L1651-T1687 HydrophobicContact CD1-CG2 4.37Å; L1651-V1691 HydrophobicContact CB-CG2 4.13Å
1652L81.4Confident76.5Confident82 Ų8248.8 Ų48.843%0.42927%0.268SS..THydrogen-bonded Turntrans-88-1178.7-68.2173.7000113.9N1648 Y1649 F1650 G1654 T1687 Y1690N1648-L1652 WeakPolarHBondContact O-CG 3.06Å; Y1649-L1652 PolarHBondContact O-N 3.31Å; F1650-L1652 PolarHBondContact O-N 3.28Å; L1652-G1654 PolarHBondContact O-N 3.28Å; L1652-T1687 HydrophobicContact CD2-CG2 4.01Å; L1652-T1687 HydrophobicContact CG-CG2 4Å; L1652-Y1690 HydrophobicContact CD2-CD1 4.15Å
1653N82.1Confident75.4Confident81 Ų8149.1 Ų49.143%0.43327%0.271SS..  trans-65.9125.6-177.6-171.8-19.7000111.7F1650 S1655 H1656F1650-N1653 VanDerWaalsContact O-CB 3.25Å; F1650-N1653 WeakPolarHBondContact O-CB 3.46Å; F1650-N1653 PolarHBondContact O-N 3.33Å; F1650-N1653 VanDerWaalsContact O-N 3.08Å; N1653-S1655 PolarHBondContact O-N 2.81Å; N1653-S1655 VanDerWaalsContact O-N 3.11Å; N1653-S1655 PolarHBondContact OD1-N 3.07Å; N1653-S1655 VanDerWaalsContact OD1-N 3.08Å; N1653-S1655 PolarHBondContact OD1-OG 3.3Å; N1653-H1656 PolarHBondContact O-CD2 2.84Å; N1653-H1656 VanDerWaalsContact O-CD2 3.29Å; N1653-H1656 PolarHBondContact O-N 3.17Å
1654G73.9Confident74.4Confident53 Ų5352.1 Ų52.155%0.54628%0.284SS..G310 helixtrans-61.5-20.2-178.400000114.4L1652 H1656 S1657L1652-G1654 PolarHBondContact O-N 3.28Å; G1654-H1656 PolarHBondContact O-N 2.82Å; G1654-S1657 PolarHBondContact O-N 2.77Å; G1654-S1657 PolarHBondContact O-OG 2.78Å; G1654-S1657 VanDerWaalsContact O-OG 3.13Å
1655S73.3Confident73.7Confident30 Ų3054.5 Ų54.521%0.2129%0.294CS..G310 helixtrans-56.9-33.5175.467.10000112Q1557 N1653 S1657Q1557-S1655 VanDerWaalsContact CD-O 3.25Å; Q1557-S1655 PolarHBondContact NE2-O 2.63Å; Q1557-S1655 PolarHBondContact OE1-O 3.17Å; N1653-S1655 PolarHBondContact O-N 2.81Å; N1653-S1655 VanDerWaalsContact O-N 3.11Å; N1653-S1655 PolarHBondContact OD1-N 3.07Å; N1653-S1655 VanDerWaalsContact OD1-N 3.08Å; N1653-S1655 PolarHBondContact OD1-OG 3.3Å; S1655-S1657 PolarHBondContact O-N 2.77Å
1656H74.9Confident73.4Confident7 Ų747 Ų473%0.03227%0.266CS..G310 helixtrans-66.6-6.9-177.5-57.9-48.2000115F1650 N1653 G1654 A1658 S1659 I1667 Q1695F1650-H1656 AromaticContact CE1-NE2 3.92Å; F1650-H1656 AromaticContact CZ-CE1 3.78Å; F1650-H1656 AromaticContact CZ-NE2 3.86Å; F1650-H1656 PolarHBondContact O-CD2 2.72Å; F1650-H1656 PolarHBondContact O-NE2 2.95Å; N1653-H1656 PolarHBondContact O-CD2 2.84Å; N1653-H1656 VanDerWaalsContact O-CD2 3.29Å; N1653-H1656 PolarHBondContact O-N 3.17Å; G1654-H1656 PolarHBondContact O-N 2.82Å; H1656-A1658 VanDerWaalsContact C-N 3.31Å; H1656-A1658 PolarHBondContact O-N 2.78Å; H1656-S1659 PolarHBondContact O-N 2.79Å; H1656-S1659 PolarHBondContact O-OG 3.17Å; H1656-I1667 HydrophobicContact CB-CD1 4.48Å; H1656-I1667 HydrophobicContact CB-CG1 4.18Å; H1656-Q1695 PolarHBondContact O-NE2 3.47Å; H1656-Q1695 VanDerWaalsContact O-NE2 3.12Å
1657S71.5Confident73.3Confident75 Ų7546.5 Ų46.552%0.52426%0.262SS..G310 helixtrans-64.1-30.2179.566.60000113.9G1654 S1655 R1660G1654-S1657 PolarHBondContact O-N 2.77Å; G1654-S1657 PolarHBondContact O-OG 2.78Å; G1654-S1657 VanDerWaalsContact O-OG 3.13Å; S1655-S1657 PolarHBondContact O-N 2.77Å; S1657-R1660 WeakPolarHBondContact O-CB 3.4Å; S1657-R1660 PolarHBondContact O-N 3.38Å
1658A66.3Low73.1Confident53 Ų5348.1 Ų48.144%0.43827%0.269SS..THydrogen-bonded Turntrans-76.3-27.1179.600000112.6H1656 R1660 D1661H1656-A1658 VanDerWaalsContact C-N 3.31Å; H1656-A1658 PolarHBondContact O-N 2.78Å; A1658-R1660 PolarHBondContact O-N 3.15Å; A1658-D1661 PolarHBondContact O-N 2.97Å
1659S64.6Low73Confident3 Ų347 Ų472%0.02126%0.263CS..G310 helixtrans-65.1-25.717569.80000112.6H1656 D1661 S1662H1656-S1659 PolarHBondContact O-N 2.79Å; H1656-S1659 PolarHBondContact O-OG 3.17Å; S1659-D1661 VanDerWaalsContact C-N 3.27Å; S1659-D1661 PolarHBondContact O-N 2.79Å; S1659-S1662 PolarHBondContact O-N 2.8Å; S1659-S1662 VanDerWaalsContact O-N 3.16Å; S1659-S1662 PolarHBondContact O-OG 2.8Å
1660R61.9Low73Confident74 Ų7438.8 Ų38.828%0.27923%0.232SC..G310 helixtrans-56.4-36.1178.4-176.6176.1173.5-178.4-1.3113.3S1657 A1658 A1694 Y1908S1657-R1660 WeakPolarHBondContact O-CB 3.4Å; S1657-R1660 PolarHBondContact O-N 3.38Å; A1658-R1660 PolarHBondContact O-N 3.15Å; R1660-A1694 WeakPolarHBondContact CD-O 3.46Å; R1660-A1694 WeakPolarHBondContact CG-O 3.49Å; R1660-Y1908 HydrophobicContact CG-CD1 4.34Å; R1660-Y1908 HydrophobicContact CG-CE1 3.69Å; R1660-Y1908 VanDerWaalsContact NE-CZ 3.28Å; R1660-Y1908 PolarHBondContact NE-OH 3.02Å
1661D59.2Low72.9Confident90 Ų9038.2 Ų38.248%0.48123%0.229SC..G310 helixtrans-91.3-3.1-176.2-71.8-23.3000113.6Y14 A1658 S1659Y14-D1661 WeakPolarHBondContact CD1-O 3.29Å; Y14-D1661 WeakPolarHBondContact CE1-O 3.29Å; A1658-D1661 PolarHBondContact O-N 2.97Å; S1659-D1661 VanDerWaalsContact C-N 3.27Å; S1659-D1661 PolarHBondContact O-N 2.79Å
1662S60.6Low72.9Confident36 Ų3638.4 Ų38.425%0.25223%0.23SC..THydrogen-bonded Turntrans-93.7-6-173.973.30000114.5S1659 K1664S1659-S1662 PolarHBondContact O-N 2.8Å; S1659-S1662 VanDerWaalsContact O-N 3.16Å; S1659-S1662 PolarHBondContact O-OG 2.8Å; S1662-K1664 PolarHBondContact O-N 2.86Å; S1662-K1664 PolarHBondContact OG-N 3.24Å
1663G58.4Low72.8Confident27 Ų2734.5 Ų34.528%0.27821%0.21SC..THydrogen-bonded Turntrans69.31.1-173.800000114.8
1664K63.7Low72.9Confident63 Ų6331 Ų3127%0.27419%0.191SC..  trans-99.8103.2-178.5-62.5175.6-174.8175.30109.2P1558 N1560 S1662 V1666P1558-K1664 PolarHBondContact O-NZ 3.21Å; N1560-K1664 HydrophobicContact CB-CD 4.42Å; S1662-K1664 PolarHBondContact O-N 2.86Å; S1662-K1664 PolarHBondContact OG-N 3.24Å; K1664-V1666 VanDerWaalsContact C-N 3.32Å; K1664-V1666 PolarHBondContact O-N 3.2Å
1665H69.7Low72.9Confident57 Ų5729.6 Ų29.626%0.26417%0.169SC..  trans-86.163.6-170.2-57.5-70.2000113.2K1668 T1669 Q1695H1665-K1668 HydrophobicContact CB-CB 3.58Å; H1665-K1668 HydrophobicContact CB-CD 3.82Å; H1665-K1668 HydrophobicContact CB-CG 4.34Å; H1665-K1668 WeakPolarHBondContact O-CB 3.29Å; H1665-K1668 PolarHBondContact O-N 3.4Å; H1665-T1669 PolarHBondContact O-N 2.85Å; H1665-T1669 VanDerWaalsContact O-N 3.13Å; H1665-T1669 PolarHBondContact O-OG1 3.39Å; H1665-Q1695 PolarHBondContact ND1-O 2.91Å
1666V76.3Confident72.6Confident2 Ų230.9 Ų30.91%0.01219%0.187CC..Hα-helixtrans-60.2-51-178.6175.80000111.7N1560 W1561 I1562 K1664 K1668 T1669 L1670N1560-V1666 WeakPolarHBondContact OD1-CG2 3.42Å; W1561-V1666 HydrophobicContact CD2-CG1 3.62Å; W1561-V1666 HydrophobicContact CE3-CG1 3.77Å; W1561-V1666 HydrophobicContact CG-CG1 4.45Å; W1561-V1666 HydrophobicContact CH2-CG1 3.33Å; W1561-V1666 HydrophobicContact CZ2-CB 4.13Å; W1561-V1666 HydrophobicContact CZ2-CG1 3.15Å; W1561-V1666 HydrophobicContact CZ3-CG1 3.62Å; I1562-V1666 HydrophobicContact CD1-CB 4.3Å; I1562-V1666 HydrophobicContact CD1-CG1 3.83Å; I1562-V1666 HydrophobicContact CG1-CB 4.22Å; I1562-V1666 HydrophobicContact CG1-CG1 3.44Å; I1562-V1666 VanDerWaalsContact CG1-CG1 3.44Å; I1562-V1666 HydrophobicContact CG1-CG2 4.33Å; K1664-V1666 VanDerWaalsContact C-N 3.32Å; K1664-V1666 PolarHBondContact O-N 3.2Å; V1666-K1668 VanDerWaalsContact C-N 3.31Å; V1666-K1668 PolarHBondContact O-N 3.32Å; V1666-T1669 VanDerWaalsContact O-CB 3.31Å; V1666-T1669 WeakPolarHBondContact O-CB 3.49Å; V1666-T1669 PolarHBondContact O-N 2.7Å; V1666-L1670 PolarHBondContact O-N 3.21Å
1667I82.7Confident72.6Confident1 Ų131.3 Ų31.31%0.00519%0.19CC..Hα-helixtrans-64.3-36.9-179-58.2-55.9000111.9W1561 F1650 L1651 H1656 T1669 L1670 V1671 V1691 Q1695W1561-I1667 HydrophobicContact CH2-CD1 4.42Å; W1561-I1667 HydrophobicContact CZ2-CD1 4.16Å; F1650-I1667 HydrophobicContact CE1-CD1 4.31Å; L1651-I1667 HydrophobicContact CD2-CG2 3.68Å; H1656-I1667 HydrophobicContact CB-CD1 4.48Å; H1656-I1667 HydrophobicContact CB-CG1 4.18Å; I1667-T1669 VanDerWaalsContact C-N 3.26Å; I1667-T1669 PolarHBondContact O-N 3.43Å; I1667-L1670 HydrophobicContact CD1-CD1 4.16Å; I1667-L1670 WeakPolarHBondContact O-CB 3.47Å; I1667-L1670 PolarHBondContact O-N 3.16Å; I1667-V1671 HydrophobicContact CG2-CG2 4.33Å; I1667-V1671 WeakPolarHBondContact O-CG2 3Å; I1667-V1671 PolarHBondContact O-N 3.17Å; I1667-V1691 HydrophobicContact CG2-CG1 3.8Å; I1667-Q1695 HydrophobicContact CB-CB 4.15Å; I1667-Q1695 HydrophobicContact CB-CG 3.81Å; I1667-Q1695 HydrophobicContact CG1-CG 4.29Å; I1667-Q1695 HydrophobicContact CG2-CB 4.26Å; I1667-Q1695 HydrophobicContact CG2-CG 3.88Å
1668K80.4Confident72.4Confident38 Ų3836.1 Ų36.117%0.16520%0.204CC..Hα-helixtrans-56.8-43.2172.7-179.1-175.4178.1167.40111.6H1665 V1666 L1670 V1671 D1672 N1696 A1697H1665-K1668 HydrophobicContact CB-CB 3.58Å; H1665-K1668 HydrophobicContact CB-CD 3.82Å; H1665-K1668 HydrophobicContact CB-CG 4.34Å; H1665-K1668 WeakPolarHBondContact O-CB 3.29Å; H1665-K1668 PolarHBondContact O-N 3.4Å; V1666-K1668 VanDerWaalsContact C-N 3.31Å; V1666-K1668 PolarHBondContact O-N 3.32Å; K1668-L1670 VanDerWaalsContact C-N 3.31Å; K1668-L1670 PolarHBondContact O-N 3.5Å; K1668-V1671 PolarHBondContact O-N 3.24Å; K1668-D1672 WeakPolarHBondContact O-CB 3.47Å; K1668-D1672 PolarHBondContact O-N 3.42Å; K1668-N1696 WeakPolarHBondContact CD-O 3.37Å; K1668-N1696 PolarHBondContact NZ-O 2.89Å; K1668-A1697 HydrophobicContact CB-CB 4.22Å; K1668-A1697 HydrophobicContact CG-CB 3.95Å
1669T81.1Confident72.6Confident11 Ų1136.9 Ų36.97%0.06721%0.205CC..Hα-helixtrans-65.4-37.5-178.6-43.90000111.7I1562 Y1621 H1665 V1666 I1667 A1673I1562-T1669 HydrophobicContact CD1-CG2 3.38Å; I1562-T1669 WeakPolarHBondContact CD1-OG1 3.46Å; Y1621-T1669 HydrophobicContact CD2-CG2 3.18Å; Y1621-T1669 HydrophobicContact CE2-CG2 3.75Å; Y1621-T1669 HydrophobicContact CG-CG2 3.88Å; H1665-T1669 PolarHBondContact O-N 2.85Å; H1665-T1669 VanDerWaalsContact O-N 3.13Å; H1665-T1669 PolarHBondContact O-OG1 3.39Å; V1666-T1669 VanDerWaalsContact O-CB 3.31Å; V1666-T1669 WeakPolarHBondContact O-CB 3.49Å; V1666-T1669 PolarHBondContact O-N 2.7Å; I1667-T1669 VanDerWaalsContact C-N 3.26Å; I1667-T1669 PolarHBondContact O-N 3.43Å; T1669-A1673 PolarHBondContact O-N 2.91Å
1670L84.6Confident73Confident12 Ų1240.7 Ų40.76%0.06323%0.229CC..Hα-helixtrans-63.6-43.6172.9-77.1164.5000111.6W1561 W1624 F1650 V1666 I1667 K1668 A1673W1561-L1670 HydrophobicContact CH2-CD1 3.76Å; W1561-L1670 HydrophobicContact CZ3-CD1 4.28Å; W1624-L1670 HydrophobicContact CZ2-CD2 3.44Å; W1624-L1670 VanDerWaalsContact CZ2-CD2 3.44Å; F1650-L1670 HydrophobicContact CE1-CD1 3.83Å; V1666-L1670 PolarHBondContact O-N 3.21Å; I1667-L1670 HydrophobicContact CD1-CD1 4.16Å; I1667-L1670 WeakPolarHBondContact O-CB 3.47Å; I1667-L1670 PolarHBondContact O-N 3.16Å; K1668-L1670 VanDerWaalsContact C-N 3.31Å; K1668-L1670 PolarHBondContact O-N 3.5Å; L1670-A1673 WeakPolarHBondContact O-CB 3.41Å; L1670-A1673 PolarHBondContact O-N 3.46Å
1671V83.2Confident73.6Confident1 Ų137.6 Ų37.61%0.00622%0.219CC..Hα-helixtrans-71-39.7-179.51780000111.5L1651 I1667 K1668 A1673 L1674 Y1688 V1691 T1700 L1704L1651-V1671 HydrophobicContact CD2-CG2 4.19Å; I1667-V1671 HydrophobicContact CG2-CG2 4.33Å; I1667-V1671 WeakPolarHBondContact O-CG2 3Å; I1667-V1671 PolarHBondContact O-N 3.17Å; K1668-V1671 PolarHBondContact O-N 3.24Å; V1671-A1673 PolarHBondContact O-N 2.86Å; V1671-L1674 VanDerWaalsContact O-CB 3.31Å; V1671-L1674 WeakPolarHBondContact O-CB 3.23Å; V1671-L1674 PolarHBondContact O-N 3.22Å; V1671-Y1688 HydrophobicContact CG1-CE1 4.39Å; V1671-V1691 HydrophobicContact CG2-CG1 3.58Å; V1671-T1700 HydrophobicContact CG1-CG2 4.07Å; V1671-L1704 HydrophobicContact CG1-CD1 4.23Å
1672D80.5Confident74.3Confident10 Ų1037.1 Ų37.15%0.05323%0.227CC..Hα-helixtrans-57.2-37.2174.1-73-6.3000110.6Y1621 M1625 K1668 L1674 R1675 T1700Y1621-D1672 HydrophobicContact CE2-CB 4.21Å; Y1621-D1672 VanDerWaalsContact CE2-OD2 3.31Å; Y1621-D1672 WeakPolarHBondContact CE2-OD2 3.28Å; Y1621-D1672 WeakPolarHBondContact OH-CB 3.39Å; Y1621-D1672 PolarHBondContact OH-OD2 3.09Å; M1625-D1672 VanDerWaalsContact CE-C 3.47Å; M1625-D1672 HydrophobicContact CE-CB 3.73Å; M1625-D1672 WeakPolarHBondContact CE-O 3.32Å; M1625-D1672 VanDerWaalsContact SD-C 3.55Å; M1625-D1672 HydrophobicContact SD-CB 3.84Å; K1668-D1672 WeakPolarHBondContact O-CB 3.47Å; K1668-D1672 PolarHBondContact O-N 3.42Å; D1672-L1674 PolarHBondContact O-N 3.09Å; D1672-R1675 WeakPolarHBondContact O-CB 2.87Å; D1672-R1675 PolarHBondContact O-N 2.8Å; D1672-R1675 VanDerWaalsContact O-N 3.15Å; D1672-T1700 HydrophobicContact CB-CG2 4.46Å; D1672-T1700 VanDerWaalsContact OD1-CB 3.25Å; D1672-T1700 WeakPolarHBondContact OD1-CB 3.36Å; D1672-T1700 WeakPolarHBondContact OD1-CG2 3.48Å; D1672-T1700 PolarHBondContact OD1-OG1 3.43Å
1673A80.7Confident75.2Confident0 Ų036 Ų360%022%0.218CC..Hα-helixtrans-65.3-22179.400000113.3M1625 F1628 T1669 L1670 V1671 R1675M1625-A1673 WeakPolarHBondContact SD-CA 3.35Å; M1625-A1673 HydrophobicContact SD-CB 3.58Å; M1625-A1673 VanDerWaalsContact SD-CB 3.58Å; M1625-A1673 PolarHBondContact SD-N 3.02Å; F1628-A1673 HydrophobicContact CB-CB 4.18Å; F1628-A1673 HydrophobicContact CD1-CB 3.93Å; F1628-A1673 HydrophobicContact CG-CB 4.17Å; T1669-A1673 PolarHBondContact O-N 2.91Å; L1670-A1673 WeakPolarHBondContact O-CB 3.41Å; L1670-A1673 PolarHBondContact O-N 3.46Å; V1671-A1673 PolarHBondContact O-N 2.86Å; A1673-R1675 PolarHBondContact O-N 3.25Å
1674L82.5Confident76.4Confident7 Ų737.5 Ų37.54%0.03722%0.22CC..THydrogen-bonded Turntrans-73.5-16178.1-51.3176.7000112.9F1628 L1647 V1671 D1672 L1677 V1681 I1683 Y1688 L1704F1628-L1674 HydrophobicContact CE1-CD2 3.83Å; F1628-L1674 HydrophobicContact CZ-CD2 4.05Å; L1647-L1674 HydrophobicContact CD1-CD2 4.19Å; V1671-L1674 VanDerWaalsContact O-CB 3.31Å; V1671-L1674 WeakPolarHBondContact O-CB 3.23Å; V1671-L1674 PolarHBondContact O-N 3.22Å; D1672-L1674 PolarHBondContact O-N 3.09Å; L1674-L1677 HydrophobicContact CD2-CD1 4.45Å; L1674-V1681 HydrophobicContact CD2-CB 4.43Å; L1674-V1681 HydrophobicContact CD2-CG2 3.93Å; L1674-I1683 HydrophobicContact CD1-CD1 3.52Å; L1674-Y1688 HydrophobicContact CD1-CE1 4.26Å; L1674-L1704 HydrophobicContact CB-CD1 4.47Å
1675R75.2Confident77.2Confident25 Ų2535.2 Ų35.29%0.09421%0.211CC..THydrogen-bonded Turntrans-76.1126-174.5-165.6178.278.1143.16.2112.6K1629 D1672 A1673 L1704 F2499 P2500K1629-R1675 VanDerWaalsContact CE-O 3.31Å; K1629-R1675 WeakPolarHBondContact CE-O 3.48Å; K1629-R1675 PolarHBondContact NZ-O 3.35Å; D1672-R1675 WeakPolarHBondContact O-CB 2.87Å; D1672-R1675 PolarHBondContact O-N 2.8Å; D1672-R1675 VanDerWaalsContact O-N 3.15Å; A1673-R1675 PolarHBondContact O-N 3.25Å; R1675-L1704 HydrophobicContact CB-CD2 4.48Å; R1675-F2499 PolarHBondContact NH2-O 2.84Å; R1675-P2500 PolarHBondContact NH2-O 3.15Å
1676G67.2Low77.8Confident57 Ų5734.4 Ų34.459%0.58821%0.212SC*.THydrogen-bonded Turntrans74.534.3178.300000113.8
1677L74.3Confident78.2Confident16 Ų1634.4 Ų34.48%0.08421%0.212CC..  trans-92.3137.1173.1-68.7176.4000110.9F1628 K1629 W1632 L1674 P1679 P1680 V1681F1628-L1677 HydrophobicContact CD1-CD1 4.29Å; F1628-L1677 HydrophobicContact CE1-CD1 3.8Å; K1629-L1677 HydrophobicContact CB-CD2 4.2Å; K1629-L1677 HydrophobicContact CG-CD2 3.75Å; W1632-L1677 HydrophobicContact CB-CD2 3.95Å; W1632-L1677 HydrophobicContact CD2-CD1 4.34Å; W1632-L1677 HydrophobicContact CG-CD1 4.11Å; W1632-L1677 HydrophobicContact CG-CD2 3.99Å; W1632-L1677 HydrophobicContact CG-CG 4.48Å; L1674-L1677 HydrophobicContact CD2-CD1 4.45Å; L1677-P1679 CarbonylContact O-C 2.96Å; L1677-P1679 VanDerWaalsContact O-C 3.28Å; L1677-P1680 WeakPolarHBondContact O-CA 3.37Å; L1677-V1681 HydrophobicContact CD1-CG2 3.66Å
1678E67.9Low78.3Confident175 Ų17534.5 Ų34.582%0.81821%0.212SC*.SBendtrans-117120.8173.7-68.7-175169.600110.6
1679P70.7Confident78.5Confident70 Ų7037.1 Ų37.146%0.45522%0.221SC..SBendcis-68.2157.7-11.930.9-34.7000112.3W1632 K1640 L1677W1632-P1679 PolarHBondContact NE1-O 2.9Å; K1640-P1679 HydrophobicContact CD-CG 4.22Å; L1677-P1679 CarbonylContact O-C 2.96Å; L1677-P1679 VanDerWaalsContact O-C 3.28Å
1680P72.7Confident78.7Confident83 Ų8342 Ų4254%0.53924%0.239SC..PPolyproline II helixtrans-66.5153.6179.727.6-35.1000112.3L1677L1677-P1680 WeakPolarHBondContact O-CA 3.37Å
1681V74.8Confident78.5Confident9 Ų941.6 Ų41.66%0.05524%0.237CC..PPolyproline II helixtrans-80.5126.5-176.5-1710000110.6W1632 S1644 L1647 L1674 L1677 I1683W1632-V1681 HydrophobicContact CH2-CG1 4.31Å; W1632-V1681 HydrophobicContact CH2-CG2 3.92Å; W1632-V1681 HydrophobicContact CZ2-CG2 3.74Å; W1632-V1681 HydrophobicContact CZ3-CG2 4.45Å; S1644-V1681 WeakPolarHBondContact OG-CG1 3.29Å; L1647-V1681 HydrophobicContact CD1-CG1 4.28Å; L1674-V1681 HydrophobicContact CD2-CB 4.43Å; L1674-V1681 HydrophobicContact CD2-CG2 3.93Å; L1677-V1681 HydrophobicContact CD1-CG2 3.66Å; V1681-I1683 HydrophobicContact CG1-CD1 4.14Å; V1681-I1683 HydrophobicContact CG1-CG1 3.91Å; V1681-I1683 PolarHBondContact O-N 2.96Å; V1681-I1683 VanDerWaalsContact O-N 3.11Å
1682A73Confident78.3Confident80 Ų8041.5 Ų41.566%0.66124%0.237SC*.  trans-78.392.5178.800000111.1
1683I80.1Confident78.1Confident11 Ų1144 Ų446%0.05625%0.247CC..  trans-118.8142174.1-61.9-177.4000108.9L1651 L1674 V1681 T1687 Y1688L1651-I1683 HydrophobicContact CD1-CD1 4Å; L1674-I1683 HydrophobicContact CD1-CD1 3.52Å; V1681-I1683 HydrophobicContact CG1-CD1 4.14Å; V1681-I1683 HydrophobicContact CG1-CG1 3.91Å; V1681-I1683 PolarHBondContact O-N 2.96Å; V1681-I1683 VanDerWaalsContact O-N 3.11Å; I1683-T1687 HydrophobicContact CG2-CG2 4.03Å; I1683-Y1688 HydrophobicContact CB-CD2 4.39Å; I1683-Y1688 HydrophobicContact CB-CE2 3.57Å; I1683-Y1688 HydrophobicContact CD1-CE1 4.29Å; I1683-Y1688 HydrophobicContact CG2-CD2 4.18Å; I1683-Y1688 HydrophobicContact CG2-CE1 4.4Å; I1683-Y1688 HydrophobicContact CG2-CE2 3.81Å
1684D82.9Confident78Confident60 Ų6044.4 Ų44.432%0.32125%0.25SC..  trans-59.8128.9177.4179.821.3000111.4S1686 T1687 Y1688D1684-S1686 PolarHBondContact O-N 3.16Å; D1684-S1686 VanDerWaalsContact O-N 3.14Å; D1684-S1686 WeakPolarHBondContact OD2-CB 3.46Å; D1684-T1687 VanDerWaalsContact O-CB 3.27Å; D1684-T1687 WeakPolarHBondContact O-CB 3.42Å; D1684-T1687 PolarHBondContact O-N 3.28Å; D1684-Y1688 PolarHBondContact O-N 2.83Å
1685P80.8Confident77.6Confident15 Ų1544.6 Ų44.610%0.09725%0.251CS..Hα-helixtrans-54.5-32.5179.5-28.435.6000114.2T1687 Y1688 R1689 L1705 I1731 A1734P1685-T1687 PolarHBondContact O-N 2.68Å; P1685-Y1688 PolarHBondContact O-N 3.29Å; P1685-R1689 PolarHBondContact O-N 2.95Å; P1685-L1705 HydrophobicContact CB-CD2 3.95Å; P1685-I1731 HydrophobicContact CB-CG1 4.18Å; P1685-I1731 HydrophobicContact CG-CB 4.33Å; P1685-I1731 HydrophobicContact CG-CG1 3.43Å; P1685-I1731 VanDerWaalsContact CG-CG1 3.43Å; P1685-A1734 HydrophobicContact CB-CB 3.9Å; P1685-A1734 WeakPolarHBondContact O-CB 3.44Å
1686S81.9Confident77.7Confident40 Ų4043.9 Ų43.928%0.2825%0.249SC..Hα-helixtrans-60.6-35.4175.7-52.30000112.4D1684 R1689 Y1690D1684-S1686 PolarHBondContact O-N 3.16Å; D1684-S1686 VanDerWaalsContact O-N 3.14Å; D1684-S1686 WeakPolarHBondContact OD2-CB 3.46Å; S1686-R1689 WeakPolarHBondContact O-CB 3.48Å; S1686-R1689 PolarHBondContact O-N 3.05Å; S1686-Y1690 PolarHBondContact O-N 3.39Å; S1686-Y1690 VanDerWaalsContact O-N 3.08Å
1687T84.5Confident78.3Confident1 Ų141.1 Ų41.11%0.00622%0.221CC..Hα-helixtrans-67.6-44.4176.5-56.60000110.6N1648 L1651 L1652 I1683 D1684 P1685 R1689 Y1690 V1691N1648-T1687 WeakPolarHBondContact OD1-CB 3.29Å; N1648-T1687 PolarHBondContact OD1-OG1 3.5Å; L1651-T1687 HydrophobicContact CB-CG2 4.04Å; L1651-T1687 HydrophobicContact CD1-CG2 4.37Å; L1652-T1687 HydrophobicContact CD2-CG2 4.01Å; L1652-T1687 HydrophobicContact CG-CG2 4Å; I1683-T1687 HydrophobicContact CG2-CG2 4.03Å; D1684-T1687 VanDerWaalsContact O-CB 3.27Å; D1684-T1687 WeakPolarHBondContact O-CB 3.42Å; D1684-T1687 PolarHBondContact O-N 3.28Å; P1685-T1687 PolarHBondContact O-N 2.68Å; T1687-R1689 VanDerWaalsContact C-N 3.31Å; T1687-R1689 PolarHBondContact O-N 3.34Å; T1687-Y1690 PolarHBondContact O-N 3.27Å; T1687-V1691 HydrophobicContact CG2-CG2 4.13Å; T1687-V1691 WeakPolarHBondContact O-CB 3.28Å; T1687-V1691 VanDerWaalsContact O-CG2 3.27Å; T1687-V1691 WeakPolarHBondContact O-CG2 3.48Å; T1687-V1691 PolarHBondContact O-N 2.93Å
1688Y85.9Confident78.8Confident3 Ų341.1 Ų41.11%0.01222%0.22CC..Hα-helixtrans-61.6-38.4175.1-73.5-58.4000112.6V1671 L1674 I1683 D1684 P1685 G1692 C1701 L1704 L1705 M1708V1671-Y1688 HydrophobicContact CG1-CE1 4.39Å; L1674-Y1688 HydrophobicContact CD1-CE1 4.26Å; I1683-Y1688 HydrophobicContact CB-CD2 4.39Å; I1683-Y1688 HydrophobicContact CB-CE2 3.57Å; I1683-Y1688 HydrophobicContact CD1-CE1 4.29Å; I1683-Y1688 HydrophobicContact CG2-CD2 4.18Å; I1683-Y1688 HydrophobicContact CG2-CE1 4.4Å; I1683-Y1688 HydrophobicContact CG2-CE2 3.81Å; D1684-Y1688 PolarHBondContact O-N 2.83Å; P1685-Y1688 PolarHBondContact O-N 3.29Å; Y1688-G1692 PolarHBondContact O-N 2.69Å; Y1688-C1701 PolarHBondContact O-SG 3.28Å; Y1688-C1701 VanDerWaalsContact O-SG 3.34Å; Y1688-L1704 HydrophobicContact CD1-CD1 4.28Å; Y1688-L1704 HydrophobicContact CE1-CD1 3.65Å; Y1688-L1705 HydrophobicContact CD2-CD2 4.34Å; Y1688-M1708 HydrophobicContact CD2-CE 3.86Å; Y1688-M1708 HydrophobicContact CE2-CE 3.28Å
1689R84.5Confident79.6Confident93 Ų9333.5 Ų33.535%0.35118%0.184SC..Hα-helixtrans-59-49.3173.2179.6-175.865.6-178.9-3.5111.5P1685 S1686 T1687 K1693 A1734P1685-R1689 PolarHBondContact O-N 2.95Å; S1686-R1689 WeakPolarHBondContact O-CB 3.48Å; S1686-R1689 PolarHBondContact O-N 3.05Å; T1687-R1689 VanDerWaalsContact C-N 3.31Å; T1687-R1689 PolarHBondContact O-N 3.34Å; R1689-K1693 WeakPolarHBondContact O-CG 3.45Å; R1689-K1693 PolarHBondContact O-N 3.24Å; R1689-A1734 HydrophobicContact CB-CB 4.05Å
1690Y84Confident80.3Confident115 Ų11530.3 Ų30.345%0.45116%0.163SC..Hα-helixtrans-64.6-49.8-179.7175.6-100.7000111.7L1652 S1686 T1687 G1692 K1693 A1694L1652-Y1690 HydrophobicContact CD2-CD1 4.15Å; S1686-Y1690 PolarHBondContact O-N 3.39Å; S1686-Y1690 VanDerWaalsContact O-N 3.08Å; T1687-Y1690 PolarHBondContact O-N 3.27Å; Y1690-G1692 PolarHBondContact O-N 2.92Å; Y1690-K1693 PolarHBondContact O-N 3.38Å; Y1690-A1694 HydrophobicContact CD1-CB 4.49Å; Y1690-A1694 HydrophobicContact CE1-CB 4.13Å; Y1690-A1694 HydrophobicContact CE2-CB 4.31Å; Y1690-A1694 VanDerWaalsContact O-CB 3.26Å; Y1690-A1694 WeakPolarHBondContact O-CB 3.44Å; Y1690-A1694 PolarHBondContact O-N 3.45Å
1691V82Confident80.9Confident2 Ų226.4 Ų26.41%0.01214%0.138CC..Hα-helixtrans-64.9-40.3-177175.90000111.5L1651 I1667 V1671 T1687 K1693 A1694 Q1695L1651-V1691 HydrophobicContact CB-CG2 4.13Å; I1667-V1691 HydrophobicContact CG2-CG1 3.8Å; V1671-V1691 HydrophobicContact CG2-CG1 3.58Å; T1687-V1691 HydrophobicContact CG2-CG2 4.13Å; T1687-V1691 WeakPolarHBondContact O-CB 3.28Å; T1687-V1691 VanDerWaalsContact O-CG2 3.27Å; T1687-V1691 WeakPolarHBondContact O-CG2 3.48Å; T1687-V1691 PolarHBondContact O-N 2.93Å; V1691-K1693 VanDerWaalsContact C-N 3.32Å; V1691-K1693 PolarHBondContact O-N 3.41Å; V1691-A1694 PolarHBondContact O-N 3.04Å; V1691-Q1695 HydrophobicContact CG1-CB 4.38Å; V1691-Q1695 WeakPolarHBondContact O-CB 3.37Å; V1691-Q1695 PolarHBondContact O-N 2.84Å
1692G77.7Confident81.5Confident0 Ų026 Ų260%014%0.135CC..Hα-helixtrans-55.4-46.9175.500000112.2Y1688 Y1690 A1697Y1688-G1692 PolarHBondContact O-N 2.69Å; Y1690-G1692 PolarHBondContact O-N 2.92Å; G1692-A1697 PolarHBondContact O-N 3.36Å
1693K77.9Confident82Confident63 Ų6322.5 Ų22.527%0.27411%0.105SC..Hα-helixtrans-73.6-43.8178.8-67.2-172.8176.8-171.10113.2R1689 Y1690 V1691 W1698 N1737 T1741R1689-K1693 WeakPolarHBondContact O-CG 3.45Å; R1689-K1693 PolarHBondContact O-N 3.24Å; Y1690-K1693 PolarHBondContact O-N 3.38Å; V1691-K1693 VanDerWaalsContact C-N 3.32Å; V1691-K1693 PolarHBondContact O-N 3.41Å; K1693-W1698 HydrophobicContact CB-CH2 4.02Å; K1693-W1698 HydrophobicContact CB-CZ3 4.37Å; K1693-W1698 HydrophobicContact CG-CH2 3.63Å; K1693-W1698 HydrophobicContact CG-CZ3 3.62Å; K1693-N1737 WeakPolarHBondContact CE-O 3.41Å; K1693-N1737 PolarHBondContact NZ-O 3.47Å; K1693-T1741 HydrophobicContact CD-CG2 4.48Å; K1693-T1741 WeakPolarHBondContact CE-OG1 3.34Å; K1693-T1741 VanDerWaalsContact NZ-CG2 3.27Å
1694A77Confident82.2Confident7 Ų722.4 Ų22.46%0.05811%0.105CC..Hα-helixtrans-80-30.2-170.900000113.7R1660 Y1690 V1691R1660-A1694 WeakPolarHBondContact CD-O 3.46Å; R1660-A1694 WeakPolarHBondContact CG-O 3.49Å; Y1690-A1694 HydrophobicContact CD1-CB 4.49Å; Y1690-A1694 HydrophobicContact CE1-CB 4.13Å; Y1690-A1694 HydrophobicContact CE2-CB 4.31Å; Y1690-A1694 VanDerWaalsContact O-CB 3.26Å; Y1690-A1694 WeakPolarHBondContact O-CB 3.44Å; Y1690-A1694 PolarHBondContact O-N 3.45Å; V1691-A1694 PolarHBondContact O-N 3.04Å
1695Q74.6Confident82.2Confident11 Ų1119.6 Ų19.65%0.0519%0.09CC..THydrogen-bonded Turntrans-120.913.2-168.3-61.2-69-9.800114.4H1656 H1665 I1667 V1691 A1697H1656-Q1695 PolarHBondContact O-NE2 3.47Å; H1656-Q1695 VanDerWaalsContact O-NE2 3.12Å; H1665-Q1695 PolarHBondContact ND1-O 2.91Å; I1667-Q1695 HydrophobicContact CB-CB 4.15Å; I1667-Q1695 HydrophobicContact CB-CG 3.81Å; I1667-Q1695 HydrophobicContact CG1-CG 4.29Å; I1667-Q1695 HydrophobicContact CG2-CB 4.26Å; I1667-Q1695 HydrophobicContact CG2-CG 3.88Å; V1691-Q1695 HydrophobicContact CG1-CB 4.38Å; V1691-Q1695 WeakPolarHBondContact O-CB 3.37Å; V1691-Q1695 PolarHBondContact O-N 2.84Å; Q1695-A1697 VanDerWaalsContact C-N 3.33Å; Q1695-A1697 PolarHBondContact O-N 2.84Å
1696N77.1Confident82.3Confident10 Ų1019.5 Ų19.55%0.0539%0.088CC..THydrogen-bonded Turntrans59.337.9179.7-157.8-8.9000113.7K1668 R1907 Y1908 L1909K1668-N1696 WeakPolarHBondContact CD-O 3.37Å; K1668-N1696 PolarHBondContact NZ-O 2.89Å; N1696-R1907 PolarHBondContact ND2-O 3.46Å; N1696-Y1908 PolarHBondContact OD1-O 3.05Å; N1696-L1909 PolarHBondContact ND2-O 3.29Å; N1696-L1909 PolarHBondContact OD1-O 2.93Å
1697A80.1Confident82.1Confident0 Ų020.6 Ų20.60%09%0.089CC..  trans-104.129.7177.100000112.3K1668 G1692 Q1695 H1699 T1700 C1701K1668-A1697 HydrophobicContact CB-CB 4.22Å; K1668-A1697 HydrophobicContact CG-CB 3.95Å; G1692-A1697 PolarHBondContact O-N 3.36Å; Q1695-A1697 VanDerWaalsContact C-N 3.33Å; Q1695-A1697 PolarHBondContact O-N 2.84Å; A1697-H1699 PolarHBondContact O-N 3.49Å; A1697-T1700 PolarHBondContact O-N 2.74Å; A1697-C1701 PolarHBondContact O-N 3.25Å; A1697-C1701 PolarHBondContact O-SG 3.49Å
1698W85.1Confident81.8Confident16 Ų1622.4 Ų22.46%0.06110%0.098CC..Hα-helixtrans-49.8-63.3-170-62.397.8000114.7K1693 T1700 C1701 A1702 L1738 T1741 L1742 Y1908 P1910K1693-W1698 HydrophobicContact CB-CH2 4.02Å; K1693-W1698 HydrophobicContact CB-CZ3 4.37Å; K1693-W1698 HydrophobicContact CG-CH2 3.63Å; K1693-W1698 HydrophobicContact CG-CZ3 3.62Å; W1698-T1700 VanDerWaalsContact C-N 3.31Å; W1698-T1700 PolarHBondContact O-N 3.21Å; W1698-C1701 PolarHBondContact O-N 2.98Å; W1698-A1702 VanDerWaalsContact O-CB 3.31Å; W1698-A1702 WeakPolarHBondContact O-CB 3.3Å; W1698-A1702 PolarHBondContact O-N 3.35Å; W1698-L1738 HydrophobicContact CE3-CD2 4.02Å; W1698-L1738 HydrophobicContact CE3-CG 3.96Å; W1698-L1738 HydrophobicContact CZ3-CG 4.36Å; W1698-T1741 VanDerWaalsContact CZ3-OG1 3.28Å; W1698-T1741 WeakPolarHBondContact CZ3-OG1 3.48Å; W1698-L1742 HydrophobicContact CB-CD1 4.15Å; W1698-L1742 HydrophobicContact CB-CD2 3.89Å; W1698-L1742 HydrophobicContact CB-CG 4.41Å; W1698-L1742 HydrophobicContact CD2-CD2 3.66Å; W1698-L1742 HydrophobicContact CD2-CG 4.2Å; W1698-L1742 HydrophobicContact CE3-CD1 4.33Å; W1698-L1742 HydrophobicContact CE3-CD2 3.7Å; W1698-L1742 HydrophobicContact CE3-CG 3.71Å; W1698-L1742 HydrophobicContact CG-CD2 3.76Å; W1698-L1742 HydrophobicContact CZ3-CD2 4.39Å; W1698-L1742 HydrophobicContact CZ3-CG 4.29Å; W1698-Y1908 PolarHBondContact NE1-O 3.41Å; W1698-P1910 HydrophobicContact CB-CG 4.01Å; W1698-P1910 HydrophobicContact CG-CG 3.93Å
1699H85.2Confident81.1Confident14 Ų1423 Ų237%0.06510%0.102CC..Hα-helixtrans-70.1-29.4-174.5-61.9-74.2000112.4A1697 A1702 L1703 P1910 A2502 T2503 F2506A1697-H1699 PolarHBondContact O-N 3.49Å; H1699-A1702 PolarHBondContact O-N 2.71Å; H1699-L1703 WeakPolarHBondContact O-CB 3.16Å; H1699-L1703 VanDerWaalsContact O-CG 3.26Å; H1699-L1703 WeakPolarHBondContact O-CG 3.38Å; H1699-L1703 PolarHBondContact O-N 3.36Å; H1699-P1910 WeakPolarHBondContact NE2-CG 3.41Å; H1699-A2502 HydrophobicContact CB-CB 4.19Å; H1699-T2503 WeakPolarHBondContact CD2-CG2 3.27Å; H1699-F2506 HydrophobicContact CB-CB 4.25Å; H1699-F2506 AromaticContact CE1-CD1 3.52Å; H1699-F2506 AromaticContact CE1-CE1 3.91Å; H1699-F2506 AromaticContact ND1-CD1 3.25Å; H1699-F2506 WeakPolarHBondContact ND1-CD1 3.36Å; H1699-F2506 AromaticContact ND1-CD2 3.92Å; H1699-F2506 AromaticContact ND1-CE1 3.8Å; H1699-F2506 AromaticContact ND1-CG 3.33Å; H1699-F2506 VanDerWaalsContact ND1-CG 3.33Å; H1699-F2506 WeakPolarHBondContact ND1-CG 3.42Å
1700T84.2Confident80.2Confident4 Ų422.8 Ų22.83%0.02511%0.112CC..Hα-helixtrans-64.7-52.1174.8-49.20000110.5V1671 D1672 A1697 W1698 A1702 L1703 L1704 A2502V1671-T1700 HydrophobicContact CG1-CG2 4.07Å; D1672-T1700 HydrophobicContact CB-CG2 4.46Å; D1672-T1700 VanDerWaalsContact OD1-CB 3.25Å; D1672-T1700 WeakPolarHBondContact OD1-CB 3.36Å; D1672-T1700 WeakPolarHBondContact OD1-CG2 3.48Å; D1672-T1700 PolarHBondContact OD1-OG1 3.43Å; A1697-T1700 PolarHBondContact O-N 2.74Å; W1698-T1700 VanDerWaalsContact C-N 3.31Å; W1698-T1700 PolarHBondContact O-N 3.21Å; T1700-A1702 VanDerWaalsContact C-N 3.29Å; T1700-A1702 PolarHBondContact O-N 3.34Å; T1700-L1703 PolarHBondContact O-N 2.96Å; T1700-L1704 HydrophobicContact CG2-CD1 4.24Å; T1700-L1704 WeakPolarHBondContact O-CG 3.36Å; T1700-L1704 PolarHBondContact O-N 3.38Å; T1700-A2502 WeakPolarHBondContact OG1-CB 3.14Å
1701C86.5Confident79Confident0 Ų025.2 Ų25.20%012%0.122CC..Hα-helixtrans-61.9-38.3174.9-670000111.6Y1688 A1697 W1698 L1704 L1705 L1738Y1688-C1701 PolarHBondContact O-SG 3.28Å; Y1688-C1701 VanDerWaalsContact O-SG 3.34Å; A1697-C1701 PolarHBondContact O-N 3.25Å; A1697-C1701 PolarHBondContact O-SG 3.49Å; W1698-C1701 PolarHBondContact O-N 2.98Å; C1701-L1704 PolarHBondContact O-N 2.99Å; C1701-L1705 WeakPolarHBondContact O-CB 3.32Å; C1701-L1705 WeakPolarHBondContact O-CG 3.19Å; C1701-L1705 PolarHBondContact O-N 2.76Å; C1701-L1738 HydrophobicContact CB-CD1 3.78Å
1702A85.8Confident77.8Confident0 Ų025.7 Ų25.70%013%0.125CC..Hα-helixtrans-60.2-46.9176.800000112W1698 H1699 T1700 E1706 F1735 L1738W1698-A1702 VanDerWaalsContact O-CB 3.31Å; W1698-A1702 WeakPolarHBondContact O-CB 3.3Å; W1698-A1702 PolarHBondContact O-N 3.35Å; H1699-A1702 PolarHBondContact O-N 2.71Å; T1700-A1702 VanDerWaalsContact C-N 3.29Å; T1700-A1702 PolarHBondContact O-N 3.34Å; A1702-E1706 WeakPolarHBondContact O-CB 3.44Å; A1702-E1706 PolarHBondContact O-N 3.41Å; A1702-F1735 HydrophobicContact CB-CE2 4.03Å; A1702-F1735 VanDerWaalsContact O-CE2 3.28Å; A1702-F1735 WeakPolarHBondContact O-CE2 3.5Å; A1702-L1738 HydrophobicContact CB-CD2 3.93Å
1703L84.4Confident76.5Confident8 Ų827.4 Ų27.44%0.04214%0.143CC..Hα-helixtrans-68.6-39.3178.4-69.2172.9000112.1H1699 T1700 E1706 E1707 A2502 Y2505 F2506H1699-L1703 WeakPolarHBondContact O-CB 3.16Å; H1699-L1703 VanDerWaalsContact O-CG 3.26Å; H1699-L1703 WeakPolarHBondContact O-CG 3.38Å; H1699-L1703 PolarHBondContact O-N 3.36Å; T1700-L1703 PolarHBondContact O-N 2.96Å; L1703-E1706 WeakPolarHBondContact O-CB 3.34Å; L1703-E1706 PolarHBondContact O-N 2.87Å; L1703-E1707 WeakPolarHBondContact O-CG 3.25Å; L1703-E1707 PolarHBondContact O-N 3.26Å; L1703-A2502 HydrophobicContact CD1-CB 3.86Å; L1703-Y2505 HydrophobicContact CD1-CD1 3.89Å; L1703-Y2505 HydrophobicContact CD2-CD1 4.07Å; L1703-Y2505 HydrophobicContact CD2-CE1 4.02Å; L1703-F2506 HydrophobicContact CD2-CD2 4.34Å
1704L83.6Confident75.1Confident9 Ų930.3 Ų30.35%0.04717%0.168CC..Hα-helixtrans-63.7-44175.5-73.3171.1000111.6V1671 L1674 R1675 Y1688 T1700 C1701 E1706 E1707 M1708V1671-L1704 HydrophobicContact CG1-CD1 4.23Å; L1674-L1704 HydrophobicContact CB-CD1 4.47Å; R1675-L1704 HydrophobicContact CB-CD2 4.48Å; Y1688-L1704 HydrophobicContact CD1-CD1 4.28Å; Y1688-L1704 HydrophobicContact CE1-CD1 3.65Å; T1700-L1704 HydrophobicContact CG2-CD1 4.24Å; T1700-L1704 WeakPolarHBondContact O-CG 3.36Å; T1700-L1704 PolarHBondContact O-N 3.38Å; C1701-L1704 PolarHBondContact O-N 2.99Å; L1704-E1706 VanDerWaalsContact C-N 3.31Å; L1704-E1706 PolarHBondContact O-N 3.27Å; L1704-E1707 PolarHBondContact O-N 3.45Å; L1704-M1708 HydrophobicContact CB-CE 4.3Å; L1704-M1708 WeakPolarHBondContact O-CE 3.37Å; L1704-M1708 WeakPolarHBondContact O-CG 3.39Å; L1704-M1708 PolarHBondContact O-N 2.87Å
1705L84.1Confident73.7Confident0 Ų032.5 Ų32.50%018%0.183CC..Hα-helixtrans-64.4-38.1174.6-71.1169.2000111.1P1685 Y1688 C1701 M1708 T1709 A1734 F1735P1685-L1705 HydrophobicContact CB-CD2 3.95Å; Y1688-L1705 HydrophobicContact CD2-CD2 4.34Å; C1701-L1705 WeakPolarHBondContact O-CB 3.32Å; C1701-L1705 WeakPolarHBondContact O-CG 3.19Å; C1701-L1705 PolarHBondContact O-N 2.76Å; L1705-M1708 PolarHBondContact O-N 2.97Å; L1705-T1709 WeakPolarHBondContact O-CG2 3.21Å; L1705-T1709 PolarHBondContact O-N 3.47Å; L1705-A1734 HydrophobicContact CD1-CB 4.16Å; L1705-A1734 HydrophobicContact CD2-CB 4.12Å; L1705-F1735 HydrophobicContact CB-CB 4.12Å; L1705-F1735 HydrophobicContact CB-CD2 3.99Å; L1705-F1735 HydrophobicContact CB-CG 4.21Å; L1705-F1735 HydrophobicContact CD1-CB 4.3Å; L1705-F1735 HydrophobicContact CD1-CD2 4.46Å
1706E82.3Confident72.3Confident13 Ų1335.7 Ų35.76%0.06121%0.205CC..Hα-helixtrans-61.9-43.9173.8-171.9-178166.800111.9A1702 L1703 L1704 M1708 T1709 P1710 F1735 R2509 I2580A1702-E1706 WeakPolarHBondContact O-CB 3.44Å; A1702-E1706 PolarHBondContact O-N 3.41Å; L1703-E1706 WeakPolarHBondContact O-CB 3.34Å; L1703-E1706 PolarHBondContact O-N 2.87Å; L1704-E1706 VanDerWaalsContact C-N 3.31Å; L1704-E1706 PolarHBondContact O-N 3.27Å; E1706-M1708 PolarHBondContact O-N 2.83Å; E1706-T1709 WeakPolarHBondContact O-CB 3.22Å; E1706-T1709 PolarHBondContact O-N 3.13Å; E1706-T1709 PolarHBondContact O-OG1 3.13Å; E1706-P1710 WeakPolarHBondContact O-CD 3.21Å; E1706-F1735 HydrophobicContact CB-CE1 4.47Å; E1706-F1735 HydrophobicContact CB-CZ 4.06Å; E1706-F1735 HydrophobicContact CG-CZ 4.48Å; E1706-R2509 IonicContact OE1-CZ 3.93Å; E1706-R2509 IonicContact OE1-NH1 3.6Å; E1706-R2509 PolarHBondContact OE1-NH1 3.04Å; E1706-R2509 IonicContact OE1-NH2 2.81Å; E1706-R2509 PolarHBondContact OE1-NH2 2.99Å; E1706-R2509 IonicContact OE2-CZ 3.43Å; E1706-R2509 IonicContact OE2-NH1 2.76Å; E1706-R2509 PolarHBondContact OE2-NH1 3.16Å; E1706-R2509 IonicContact OE2-NH2 3.45Å; E1706-R2509 PolarHBondContact OE2-NH2 3.09Å; E1706-I2580 HydrophobicContact CG-CG2 4.35Å
1707E78.2Confident70.6Confident64 Ų6439.3 Ų39.330%0.29922%0.222SC..Hα-helixtrans-62.7-23.4175.6-75.8174.2-174.600113.1L1703 L1704 P1710L1703-E1707 WeakPolarHBondContact O-CG 3.25Å; L1703-E1707 PolarHBondContact O-N 3.26Å; L1704-E1707 PolarHBondContact O-N 3.45Å; E1707-P1710 WeakPolarHBondContact O-CD 3.32Å
1708M77.3Confident68.5Low38 Ų3847.6 Ų47.619%0.18726%0.261CS..Hα-helixtrans-83.3-16.8174.2-65.5175.9-143.400113.3Y1688 L1704 L1705 E1706 Y1711 I1731Y1688-M1708 HydrophobicContact CD2-CE 3.86Å; Y1688-M1708 HydrophobicContact CE2-CE 3.28Å; L1704-M1708 HydrophobicContact CB-CE 4.3Å; L1704-M1708 WeakPolarHBondContact O-CE 3.37Å; L1704-M1708 WeakPolarHBondContact O-CG 3.39Å; L1704-M1708 PolarHBondContact O-N 2.87Å; L1705-M1708 PolarHBondContact O-N 2.97Å; E1706-M1708 PolarHBondContact O-N 2.83Å; M1708-Y1711 WeakPolarHBondContact O-CD2 3.4Å; M1708-Y1711 PolarHBondContact O-N 3.26Å; M1708-I1731 HydrophobicContact CB-CD1 4.2Å; M1708-I1731 HydrophobicContact CB-CG2 4Å
1709T72.2Confident66.2Low16 Ų1650.9 Ų50.910%0.09829%0.291CS..G310 helixtrans-64.8-31.1-178.765.40000116.3L1705 E1706 Y1711 C1712 L1732 F1735L1705-T1709 WeakPolarHBondContact O-CG2 3.21Å; L1705-T1709 PolarHBondContact O-N 3.47Å; E1706-T1709 WeakPolarHBondContact O-CB 3.22Å; E1706-T1709 PolarHBondContact O-N 3.13Å; E1706-T1709 PolarHBondContact O-OG1 3.13Å; T1709-Y1711 PolarHBondContact O-N 3.38Å; T1709-C1712 VanDerWaalsContact O-CB 3.27Å; T1709-C1712 WeakPolarHBondContact O-CB 3.16Å; T1709-C1712 PolarHBondContact O-N 3.43Å; T1709-L1732 HydrophobicContact CG2-CD2 3.98Å; T1709-F1735 HydrophobicContact CG2-CD1 4.49Å
1710P65.9Low63.9Low88 Ų8856.8 Ų56.857%0.57133%0.328SS*.G310 helixtrans-62-29.5177.6-20.832.9000112.9E1706 E1707 C1712 G1713E1706-P1710 WeakPolarHBondContact O-CD 3.21Å; E1707-P1710 WeakPolarHBondContact O-CD 3.32Å; P1710-C1712 PolarHBondContact O-N 3.43Å; P1710-G1713 PolarHBondContact O-N 3.45Å; P1710-G1713 VanDerWaalsContact O-N 3.13Å
1711Y58.4Low61.8Low167 Ų16761.9 Ų61.966%0.65536%0.359SS*.G310 helixtrans-69.5-10.2176-59-78.4000113.2M1708 T1709 Q1728M1708-Y1711 WeakPolarHBondContact O-CD2 3.4Å; M1708-Y1711 PolarHBondContact O-N 3.26Å; T1709-Y1711 PolarHBondContact O-N 3.38Å; Y1711-Q1728 PolarHBondContact O-NE2 2.89Å
1712C56.3Low59.9Low11 Ų1166.1 Ų66.17%0.07439%0.387CS..G310 helixtrans-79-19.9172.7-56.40000111.8T1709 P1710 F1723 Q1728T1709-C1712 VanDerWaalsContact O-CB 3.27Å; T1709-C1712 WeakPolarHBondContact O-CB 3.16Å; T1709-C1712 PolarHBondContact O-N 3.43Å; P1710-C1712 PolarHBondContact O-N 3.43Å; C1712-F1723 HydrophobicContact CB-CD1 4.1Å; C1712-F1723 HydrophobicContact CB-CE1 3.67Å; C1712-F1723 WeakPolarHBondContact O-CD1 3.35Å; C1712-F1723 WeakPolarHBondContact O-CE1 3.27Å; C1712-Q1728 HydrophobicContact CB-CB 4.31Å; C1712-Q1728 HydrophobicContact CB-CG 4.39Å
1713G51.4Low58.1Low37 Ų3768.5 Ų68.538%0.38140%0.397SS..  trans121.7168.6-179.400000113.1P1710P1710-G1713 PolarHBondContact O-N 3.45Å; P1710-G1713 VanDerWaalsContact O-N 3.13Å
1714P47Very low56.4Low124 Ų12473.4 Ų73.481%0.80543%0.432SS*.SBendtrans-68.8152.8-176.728.1-32.9000112.3
1715S47.2Very low55Low53 Ų5381 Ų8137%0.37146%0.46SS..  trans-45.7152.9174.754.90000113.6M1717S1715-M1717 PolarHBondContact O-N 3.39Å
1716P45.4Very low53.9Low77 Ų7786.1 Ų86.150%0.549%0.491SS..THydrogen-bonded Turntrans-6723.9-177.929.2-36.6000115.6
1717M41.8Very low52.8Low86 Ų8691.9 Ų91.942%0.42452%0.518SS..THydrogen-bonded Turntrans-75.7-20.4177-80-174.116200113.4S1715S1715-M1717 PolarHBondContact O-N 3.39Å
1718Q37.3Very low52.1Low174 Ų17490.9 Ų90.981%0.81351%0.513SS*.SBendtrans-151.5111.7178.6-64.7-178.8-12.300110.5
1719A35.3Very low51.8Low85 Ų8590.8 Ų90.870%0.70251%0.514SS*.  trans70.2116178.100000117.5V1721A1719-V1721 PolarHBondContact O-N 3.35Å
1720V37.6Very low52Low139 Ų13993.7 Ų93.784%0.84253%0.526SS*.  trans-66.595.2165.5179.10000108.1
1721V40Very low52.6Low111 Ų11190.5 Ų90.567%0.67350%0.504SS*.PPolyproline II helixtrans-98.4120.9166.3-172.10000107.5A1719 F1723A1719-V1721 PolarHBondContact O-N 3.35Å; V1721-F1723 PolarHBondContact O-N 3.27Å
1722P45.6Very low53.7Low89 Ų8982.7 Ų82.758%0.57847%0.474SS*.PPolyproline II helixtrans-65.5122.3175.125.8-30.5000109S1724P1722-S1724 PolarHBondContact O-N 2.85Å; P1722-S1724 VanDerWaalsContact O-N 3.13Å
1723F49.6Very low54.9Low49 Ų4984.1 Ų84.122%0.21548%0.48CS..PPolyproline II helixtrans-52.6121.9170.2-56.5-87.2000108.9C1712 V1721 R1754 R1800C1712-F1723 HydrophobicContact CB-CD1 4.1Å; C1712-F1723 HydrophobicContact CB-CE1 3.67Å; C1712-F1723 WeakPolarHBondContact O-CD1 3.35Å; C1712-F1723 WeakPolarHBondContact O-CE1 3.27Å; V1721-F1723 PolarHBondContact O-N 3.27Å; F1723-R1754 VanDerWaalsContact CE2-O 3.28Å; F1723-R1754 WeakPolarHBondContact CE2-O 3.44Å; F1723-R1800 PolarHBondContact O-NH1 3.21Å
1724S48.7Very low56.4Low112 Ų11282.4 Ų82.478%0.78346%0.463SS*.  trans-103.64-169.367.50000113.9P1722P1722-S1724 PolarHBondContact O-N 2.85Å; P1722-S1724 VanDerWaalsContact O-N 3.13Å
1725R53.7Low58.3Low168 Ų16876.5 Ų76.563%0.63443%0.425SS*.  trans-127.4130180-67.3-174.7179.8-1780.8111.3E1727 Q1728R1725-E1727 PolarHBondContact O-N 3.25Å; R1725-Q1728 PolarHBondContact O-N 3.2Å
1726V60.5Low60.1Low107 Ų10774.1 Ų74.165%0.64841%0.408SS*.Hα-helixtrans-53.7-40-179.6178.20000111.8Q1728 L1729 E1730V1726-Q1728 VanDerWaalsContact C-N 3.3Å; V1726-Q1728 PolarHBondContact O-N 3.21Å; V1726-L1729 PolarHBondContact O-N 3.08Å; V1726-L1729 VanDerWaalsContact O-N 3.15Å; V1726-E1730 HydrophobicContact CG1-CG 4.45Å; V1726-E1730 PolarHBondContact O-N 3.15Å
1727E58.7Low62Low135 Ų13573.3 Ų73.363%0.63140%0.399SS*.Hα-helixtrans-58.1-34.5-179.5-62.6170.8177.600113.8R1725 I1731R1725-E1727 PolarHBondContact O-N 3.25Å; E1727-I1731 WeakPolarHBondContact O-CG1 3.25Å; E1727-I1731 PolarHBondContact O-N 3.21Å
1728Q64.6Low64.1Low42 Ų4269.2 Ų69.220%0.19638%0.379CS..Hα-helixtrans-73.1-30.4-179.4-71.2175.6-25.200112.5Y1711 C1712 R1725 V1726Y1711-Q1728 PolarHBondContact O-NE2 2.89Å; C1712-Q1728 HydrophobicContact CB-CB 4.31Å; C1712-Q1728 HydrophobicContact CB-CG 4.39Å; R1725-Q1728 PolarHBondContact O-N 3.2Å; V1726-Q1728 VanDerWaalsContact C-N 3.3Å; V1726-Q1728 PolarHBondContact O-N 3.21Å
1729L70.7Confident66.4Low36 Ų3660.9 Ų60.919%0.18834%0.34CS..Hα-helixtrans-76-38.9176.9-71.6166.4000110.9V1726 I1731 L1732 D1733 K1755V1726-L1729 PolarHBondContact O-N 3.08Å; V1726-L1729 VanDerWaalsContact O-N 3.15Å; L1729-I1731 PolarHBondContact O-N 2.88Å; L1729-L1732 PolarHBondContact O-N 2.87Å; L1729-L1732 VanDerWaalsContact O-N 3.13Å; L1729-D1733 WeakPolarHBondContact O-CB 3.26Å; L1729-D1733 VanDerWaalsContact O-CG 3.24Å; L1729-D1733 PolarHBondContact O-N 3.46Å; L1729-D1733 VanDerWaalsContact O-OD1 3.11Å; L1729-K1755 HydrophobicContact CD2-CG 4.41Å
1730E75.4Confident68.6Low78 Ų7859.2 Ų59.236%0.36432%0.324SS..Hα-helixtrans-58.4-34.9176.2-70.4175.917200112.5V1726 A1734V1726-E1730 HydrophobicContact CG1-CG 4.45Å; V1726-E1730 PolarHBondContact O-N 3.15Å; E1730-A1734 VanDerWaalsContact O-CB 3.25Å; E1730-A1734 WeakPolarHBondContact O-CB 3.48Å; E1730-A1734 PolarHBondContact O-N 3.09Å
1731I80Confident70.7Confident20 Ų2054.9 Ų54.910%0.10330%0.297CS..Hα-helixtrans-61.9-52.2173.6-63164.4000111.1P1685 M1708 E1727 L1729 D1733 A1734 F1735P1685-I1731 HydrophobicContact CB-CG1 4.18Å; P1685-I1731 HydrophobicContact CG-CB 4.33Å; P1685-I1731 HydrophobicContact CG-CG1 3.43Å; P1685-I1731 VanDerWaalsContact CG-CG1 3.43Å; M1708-I1731 HydrophobicContact CB-CD1 4.2Å; M1708-I1731 HydrophobicContact CB-CG2 4Å; E1727-I1731 WeakPolarHBondContact O-CG1 3.25Å; E1727-I1731 PolarHBondContact O-N 3.21Å; L1729-I1731 PolarHBondContact O-N 2.88Å; I1731-D1733 VanDerWaalsContact C-N 3.28Å; I1731-D1733 PolarHBondContact O-N 3.01Å; I1731-A1734 PolarHBondContact O-N 3.18Å; I1731-F1735 WeakPolarHBondContact O-CB 3.39Å; I1731-F1735 PolarHBondContact O-N 3.2Å
1732L80.1Confident72.7Confident4 Ų450 Ų502%0.02127%0.268CS..Hα-helixtrans-66.4-33.6-178.7-64.1175.7000111.4T1709 L1729 F1735 S1736 V1751 K1755T1709-L1732 HydrophobicContact CG2-CD2 3.98Å; L1729-L1732 PolarHBondContact O-N 2.87Å; L1729-L1732 VanDerWaalsContact O-N 3.13Å; L1732-F1735 PolarHBondContact O-N 3.28Å; L1732-S1736 WeakPolarHBondContact O-CB 3.33Å; L1732-S1736 PolarHBondContact O-N 3.14Å; L1732-V1751 HydrophobicContact CB-CG1 4.28Å; L1732-V1751 HydrophobicContact CD2-CG1 4.11Å; L1732-K1755 HydrophobicContact CB-CB 4.33Å; L1732-K1755 HydrophobicContact CB-CD 4.5Å; L1732-K1755 HydrophobicContact CB-CG 4.4Å; L1732-K1755 HydrophobicContact CD1-CB 4.14Å
1733D82.3Confident74.3Confident40 Ų4046.2 Ų46.221%0.21424%0.244CC..Hα-helixtrans-67.8-46.2175.8-74.915.7000111.8L1729 I1731 F1735 N1737 K1755L1729-D1733 WeakPolarHBondContact O-CB 3.26Å; L1729-D1733 VanDerWaalsContact O-CG 3.24Å; L1729-D1733 PolarHBondContact O-N 3.46Å; L1729-D1733 VanDerWaalsContact O-OD1 3.11Å; I1731-D1733 VanDerWaalsContact C-N 3.28Å; I1731-D1733 PolarHBondContact O-N 3.01Å; D1733-F1735 VanDerWaalsContact C-N 3.29Å; D1733-F1735 PolarHBondContact O-N 3.42Å; D1733-N1737 VanDerWaalsContact O-CB 3.29Å; D1733-N1737 WeakPolarHBondContact O-CB 3.37Å; D1733-N1737 VanDerWaalsContact O-CG 3.28Å; D1733-N1737 PolarHBondContact O-N 3.49Å; D1733-N1737 VanDerWaalsContact O-N 3.12Å; D1733-N1737 PolarHBondContact O-ND2 3.33Å; D1733-K1755 WeakPolarHBondContact OD1-CD 3.45Å; D1733-K1755 WeakPolarHBondContact OD1-CE 3.12Å; D1733-K1755 IonicContact OD1-NZ 3.73Å; D1733-K1755 PolarHBondContact OD1-NZ 3.44Å; D1733-K1755 IonicContact OD2-NZ 3.87Å; D1733-K1755 PolarHBondContact OD2-NZ 3.19Å
1734A83.7Confident76Confident2 Ų244.4 Ų44.42%0.01724%0.236CC..Hα-helixtrans-60.1-42.7174.800000111.1P1685 R1689 L1705 E1730 I1731 L1738P1685-A1734 HydrophobicContact CB-CB 3.9Å; P1685-A1734 WeakPolarHBondContact O-CB 3.44Å; R1689-A1734 HydrophobicContact CB-CB 4.05Å; L1705-A1734 HydrophobicContact CD1-CB 4.16Å; L1705-A1734 HydrophobicContact CD2-CB 4.12Å; E1730-A1734 VanDerWaalsContact O-CB 3.25Å; E1730-A1734 WeakPolarHBondContact O-CB 3.48Å; E1730-A1734 PolarHBondContact O-N 3.09Å; I1731-A1734 PolarHBondContact O-N 3.18Å; A1734-L1738 WeakPolarHBondContact O-CB 3.33Å; A1734-L1738 PolarHBondContact O-N 2.94Å
1735F87Confident77.5Confident0 Ų043.3 Ų43.30%023%0.225CC..Hα-helixtrans-68.6-49.8-178.7-170.8-144.4000112.3A1702 L1705 E1706 T1709 I1731 L1732 D1733 N1737 L1738 L1739 L1747 V1751 I2580A1702-F1735 HydrophobicContact CB-CE2 4.03Å; A1702-F1735 VanDerWaalsContact O-CE2 3.28Å; A1702-F1735 WeakPolarHBondContact O-CE2 3.5Å; L1705-F1735 HydrophobicContact CB-CB 4.12Å; L1705-F1735 HydrophobicContact CB-CD2 3.99Å; L1705-F1735 HydrophobicContact CB-CG 4.21Å; L1705-F1735 HydrophobicContact CD1-CB 4.3Å; L1705-F1735 HydrophobicContact CD1-CD2 4.46Å; E1706-F1735 HydrophobicContact CB-CE1 4.47Å; E1706-F1735 HydrophobicContact CB-CZ 4.06Å; E1706-F1735 HydrophobicContact CG-CZ 4.48Å; T1709-F1735 HydrophobicContact CG2-CD1 4.49Å; I1731-F1735 WeakPolarHBondContact O-CB 3.39Å; I1731-F1735 PolarHBondContact O-N 3.2Å; L1732-F1735 PolarHBondContact O-N 3.28Å; D1733-F1735 VanDerWaalsContact C-N 3.29Å; D1733-F1735 PolarHBondContact O-N 3.42Å; F1735-N1737 PolarHBondContact O-N 3.32Å; F1735-L1738 PolarHBondContact O-N 2.99Å; F1735-L1738 VanDerWaalsContact O-N 3.13Å; F1735-L1739 HydrophobicContact CD1-CD1 4.28Å; F1735-L1739 HydrophobicContact CD2-CD1 4.13Å; F1735-L1739 HydrophobicContact CD2-CG 4.14Å; F1735-L1739 HydrophobicContact CE1-CD1 3.99Å; F1735-L1739 HydrophobicContact CE2-CD1 3.84Å; F1735-L1739 HydrophobicContact CE2-CD2 4.01Å; F1735-L1739 HydrophobicContact CE2-CG 3.96Å; F1735-L1739 HydrophobicContact CG-CD1 4.34Å; F1735-L1739 HydrophobicContact CZ-CD1 3.77Å; F1735-L1739 HydrophobicContact CZ-CD2 4.46Å; F1735-L1739 HydrophobicContact CZ-CG 4.38Å; F1735-L1739 WeakPolarHBondContact O-CG 3.46Å; F1735-L1739 PolarHBondContact O-N 3.01Å; F1735-L1747 HydrophobicContact CZ-CD2 4.44Å; F1735-V1751 HydrophobicContact CD1-CB 4.44Å; F1735-V1751 HydrophobicContact CD1-CG1 4.12Å; F1735-V1751 HydrophobicContact CD1-CG2 3.4Å; F1735-V1751 HydrophobicContact CE1-CG2 3.45Å; F1735-V1751 VanDerWaalsContact CE1-CG2 3.45Å; F1735-V1751 HydrophobicContact CG-CG2 4.43Å; F1735-I2580 HydrophobicContact CE1-CD1 4.42Å
1736S84.1Confident79Confident3 Ų335.6 Ų35.62%0.02120%0.196CC..Hα-helixtrans-58.5-45.5178.6-176.90000111.9L1732 L1738 L1739 S1740 S1748 W1752L1732-S1736 WeakPolarHBondContact O-CB 3.33Å; L1732-S1736 PolarHBondContact O-N 3.14Å; S1736-L1738 VanDerWaalsContact C-N 3.25Å; S1736-L1738 PolarHBondContact O-N 2.98Å; S1736-L1739 PolarHBondContact O-N 3.28Å; S1736-S1740 PolarHBondContact O-N 3.26Å; S1736-S1740 PolarHBondContact O-OG 3Å; S1736-S1748 PolarHBondContact OG-OG 2.85Å; S1736-W1752 VanDerWaalsContact OG-CD1 3.24Å; S1736-W1752 PolarHBondContact OG-NE1 2.65Å
1737N84.4Confident80.2Confident59 Ų5930.5 Ų30.532%0.31617%0.166SC..Hα-helixtrans-63-28.1178.1-79.4-47.6000114.3K1693 D1733 F1735 S1740 T1741K1693-N1737 WeakPolarHBondContact CE-O 3.41Å; K1693-N1737 PolarHBondContact NZ-O 3.47Å; D1733-N1737 VanDerWaalsContact O-CB 3.29Å; D1733-N1737 WeakPolarHBondContact O-CB 3.37Å; D1733-N1737 VanDerWaalsContact O-CG 3.28Å; D1733-N1737 PolarHBondContact O-N 3.49Å; D1733-N1737 VanDerWaalsContact O-N 3.12Å; D1733-N1737 PolarHBondContact O-ND2 3.33Å; F1735-N1737 PolarHBondContact O-N 3.32Å; N1737-S1740 PolarHBondContact O-OG 2.95Å; N1737-S1740 VanDerWaalsContact O-OG 3.13Å; N1737-T1741 PolarHBondContact O-OG1 3.02Å
1738L86.1Confident81.5Confident0 Ų024.6 Ų24.60%014%0.139CC..Hα-helixtrans-79.3-39.2177-166.9151.6000110.5W1698 C1701 A1702 A1734 F1735 S1736 T1741 L1742W1698-L1738 HydrophobicContact CE3-CD2 4.02Å; W1698-L1738 HydrophobicContact CE3-CG 3.96Å; W1698-L1738 HydrophobicContact CZ3-CG 4.36Å; C1701-L1738 HydrophobicContact CB-CD1 3.78Å; A1702-L1738 HydrophobicContact CB-CD2 3.93Å; A1734-L1738 WeakPolarHBondContact O-CB 3.33Å; A1734-L1738 PolarHBondContact O-N 2.94Å; F1735-L1738 PolarHBondContact O-N 2.99Å; F1735-L1738 VanDerWaalsContact O-N 3.13Å; S1736-L1738 VanDerWaalsContact C-N 3.25Å; S1736-L1738 PolarHBondContact O-N 2.98Å; L1738-T1741 PolarHBondContact O-OG1 3.39Å; L1738-L1742 HydrophobicContact CD2-CD1 3.81Å; L1738-L1742 HydrophobicContact CD2-CG 4.45Å; L1738-L1742 WeakPolarHBondContact O-CG 3.31Å; L1738-L1742 PolarHBondContact O-N 3.48Å
1739L85.2Confident82.2Confident0 Ų023.1 Ų23.10%013%0.133CC..Hα-helixtrans-68.4-40.8176.3-65177.4000112.7F1735 S1736 T1741 L1742 G1743 E1744 L1747 V1751F1735-L1739 HydrophobicContact CD1-CD1 4.28Å; F1735-L1739 HydrophobicContact CD2-CD1 4.13Å; F1735-L1739 HydrophobicContact CD2-CG 4.14Å; F1735-L1739 HydrophobicContact CE1-CD1 3.99Å; F1735-L1739 HydrophobicContact CE2-CD1 3.84Å; F1735-L1739 HydrophobicContact CE2-CD2 4.01Å; F1735-L1739 HydrophobicContact CE2-CG 3.96Å; F1735-L1739 HydrophobicContact CG-CD1 4.34Å; F1735-L1739 HydrophobicContact CZ-CD1 3.77Å; F1735-L1739 HydrophobicContact CZ-CD2 4.46Å; F1735-L1739 HydrophobicContact CZ-CG 4.38Å; F1735-L1739 WeakPolarHBondContact O-CG 3.46Å; F1735-L1739 PolarHBondContact O-N 3.01Å; S1736-L1739 PolarHBondContact O-N 3.28Å; L1739-T1741 VanDerWaalsContact C-N 3.31Å; L1739-T1741 PolarHBondContact O-N 2.95Å; L1739-L1742 PolarHBondContact O-N 3Å; L1739-G1743 PolarHBondContact O-N 2.9Å; L1739-G1743 VanDerWaalsContact O-N 3.11Å; L1739-E1744 HydrophobicContact CB-CB 4.42Å; L1739-E1744 HydrophobicContact CD2-CB 4.33Å; L1739-E1744 PolarHBondContact O-N 3.02Å; L1739-L1747 HydrophobicContact CD1-CB 4.03Å; L1739-L1747 HydrophobicContact CD1-CD2 3.83Å; L1739-L1747 HydrophobicContact CD1-CG 3.78Å; L1739-L1747 HydrophobicContact CD2-CD2 3.8Å; L1739-L1747 HydrophobicContact CG-CD2 4.48Å; L1739-V1751 HydrophobicContact CD1-CG2 3.93Å
1740S82.8Confident82.7Confident50 Ų5021.5 Ų21.535%0.3513%0.125SC..Hα-helixtrans-60.9-40.5178.6680000112S1736 N1737 G1743S1736-S1740 PolarHBondContact O-N 3.26Å; S1736-S1740 PolarHBondContact O-OG 3Å; N1737-S1740 PolarHBondContact O-OG 2.95Å; N1737-S1740 VanDerWaalsContact O-OG 3.13Å; S1740-G1743 PolarHBondContact O-N 3.16Å; S1740-G1743 VanDerWaalsContact O-N 3.14Å
1741T81.1Confident83Confident48 Ų4817.8 Ų17.829%0.29411%0.107SC..Hα-helixtrans-70.7-33.9176.442.40000113.6K1693 W1698 N1737 L1738 L1739 G1743K1693-T1741 HydrophobicContact CD-CG2 4.48Å; K1693-T1741 WeakPolarHBondContact CE-OG1 3.34Å; K1693-T1741 VanDerWaalsContact NZ-CG2 3.27Å; W1698-T1741 VanDerWaalsContact CZ3-OG1 3.28Å; W1698-T1741 WeakPolarHBondContact CZ3-OG1 3.48Å; N1737-T1741 PolarHBondContact O-OG1 3.02Å; L1738-T1741 PolarHBondContact O-OG1 3.39Å; L1739-T1741 VanDerWaalsContact C-N 3.31Å; L1739-T1741 PolarHBondContact O-N 2.95Å; T1741-G1743 PolarHBondContact O-N 3.4Å
1742L82.7Confident82.9Confident9 Ų917.6 Ų17.65%0.04711%0.105CC..Hα-helixtrans-68.2-16.8169.8-74.8175.4000113.4W1698 L1738 L1739 E1744 P1910 G1916W1698-L1742 HydrophobicContact CB-CD1 4.15Å; W1698-L1742 HydrophobicContact CB-CD2 3.89Å; W1698-L1742 HydrophobicContact CB-CG 4.41Å; W1698-L1742 HydrophobicContact CD2-CD2 3.66Å; W1698-L1742 HydrophobicContact CD2-CG 4.2Å; W1698-L1742 HydrophobicContact CE3-CD1 4.33Å; W1698-L1742 HydrophobicContact CE3-CD2 3.7Å; W1698-L1742 HydrophobicContact CE3-CG 3.71Å; W1698-L1742 HydrophobicContact CG-CD2 3.76Å; W1698-L1742 HydrophobicContact CZ3-CD2 4.39Å; W1698-L1742 HydrophobicContact CZ3-CG 4.29Å; L1738-L1742 HydrophobicContact CD2-CD1 3.81Å; L1738-L1742 HydrophobicContact CD2-CG 4.45Å; L1738-L1742 WeakPolarHBondContact O-CG 3.31Å; L1738-L1742 PolarHBondContact O-N 3.48Å; L1739-L1742 PolarHBondContact O-N 3Å; L1742-E1744 HydrophobicContact CB-CG 4.16Å; L1742-P1910 HydrophobicContact CD2-CG 3.65Å; L1742-G1916 WeakPolarHBondContact O-CA 2.98Å; L1742-G1916 PolarHBondContact O-N 2.9Å
1743G79.7Confident82.7Confident8 Ų819.3 Ų19.38%0.08211%0.114CC..THydrogen-bonded Turntrans80.319.6-173.700000113.8L1739 S1740 T1741 T1745 P1915L1739-G1743 PolarHBondContact O-N 2.9Å; L1739-G1743 VanDerWaalsContact O-N 3.11Å; S1740-G1743 PolarHBondContact O-N 3.16Å; S1740-G1743 VanDerWaalsContact O-N 3.14Å; T1741-G1743 PolarHBondContact O-N 3.4Å; G1743-T1745 VanDerWaalsContact C-N 3.3Å; G1743-T1745 PolarHBondContact O-N 3.43Å; G1743-T1745 VanDerWaalsContact O-N 3.16Å; G1743-P1915 WeakPolarHBondContact O-CB 3.14Å; G1743-P1915 VanDerWaalsContact O-CG 3.32Å; G1743-P1915 WeakPolarHBondContact O-CG 3.27Å
1744E85.4Confident82.2Confident12 Ų1220.2 Ų20.26%0.05611%0.114CC..  trans-86.567.7176.5-66-67.215800110.4L1739 L1742 D1746 L1747 S1748 P1915 F2506 K2510 Y2585L1739-E1744 HydrophobicContact CB-CB 4.42Å; L1739-E1744 HydrophobicContact CD2-CB 4.33Å; L1739-E1744 PolarHBondContact O-N 3.02Å; L1742-E1744 HydrophobicContact CB-CG 4.16Å; E1744-D1746 VanDerWaalsContact C-N 3.34Å; E1744-D1746 PolarHBondContact O-N 2.96Å; E1744-L1747 HydrophobicContact CB-CB 4.39Å; E1744-L1747 PolarHBondContact O-N 3.32Å; E1744-S1748 WeakPolarHBondContact O-CB 3.28Å; E1744-S1748 PolarHBondContact O-N 3.49Å; E1744-P1915 HydrophobicContact CG-CG 4.38Å; E1744-P1915 WeakPolarHBondContact OE1-CD 3.3Å; E1744-P1915 VanDerWaalsContact OE1-CG 3.31Å; E1744-P1915 WeakPolarHBondContact OE1-CG 3.38Å; E1744-F2506 HydrophobicContact CG-CE1 4.46Å; E1744-K2510 IonicContact OE1-NZ 2.85Å; E1744-K2510 PolarHBondContact OE1-NZ 2.98Å; E1744-K2510 IonicContact OE2-NZ 3.19Å; E1744-K2510 PolarHBondContact OE2-NZ 3.29Å; E1744-Y2585 PolarHBondContact OE2-OH 3.39Å
1745T80.2Confident81.8Confident88 Ų8820.9 Ų20.954%0.5412%0.117SC..Hα-helixtrans-61.2-40.4-174.952.30000113G1743 L1747 S1748 T1749G1743-T1745 VanDerWaalsContact C-N 3.3Å; G1743-T1745 PolarHBondContact O-N 3.43Å; G1743-T1745 VanDerWaalsContact O-N 3.16Å; T1745-L1747 PolarHBondContact O-N 3.09Å; T1745-S1748 PolarHBondContact O-N 3.41Å; T1745-T1749 WeakPolarHBondContact O-CB 3.23Å; T1745-T1749 WeakPolarHBondContact O-CG2 3.36Å; T1745-T1749 PolarHBondContact O-N 3.42Å; T1745-T1749 PolarHBondContact O-OG1 3.35Å
1746D84.7Confident81.2Confident7 Ų721.3 Ų21.34%0.03712%0.119CC..Hα-helixtrans-62.1-39.6179.8-94.9-5.6000112.1E1744 T1749 A1750 Q1769 R2406 Y2514 G2584 Y2585E1744-D1746 VanDerWaalsContact C-N 3.34Å; E1744-D1746 PolarHBondContact O-N 2.96Å; D1746-T1749 PolarHBondContact O-OG1 2.97Å; D1746-A1750 PolarHBondContact O-N 3.45Å; D1746-Q1769 PolarHBondContact O-NE2 3.39Å; D1746-Q1769 VanDerWaalsContact OD1-CG 3.28Å; D1746-Q1769 WeakPolarHBondContact OD1-CG 3.4Å; D1746-Q1769 PolarHBondContact OD1-NE2 3.01Å; D1746-R2406 IonicContact OD1-CZ 3.31Å; D1746-R2406 IonicContact OD1-NE 2.92Å; D1746-R2406 IonicContact OD1-NH2 3.09Å; D1746-R2406 PolarHBondContact OD1-NH2 3.45Å; D1746-R2406 IonicContact OD2-CZ 2.7Å; D1746-R2406 IonicContact OD2-NE 2.82Å; D1746-R2406 PolarHBondContact OD2-NE 2.91Å; D1746-R2406 IonicContact OD2-NH2 2.81Å; D1746-Y2514 PolarHBondContact OD2-OH 3.42Å; D1746-G2584 CarbonylContact C-O 3.54Å; D1746-G2584 WeakPolarHBondContact CB-O 3.33Å; D1746-G2584 VanDerWaalsContact O-CA 3.27Å; D1746-G2584 WeakPolarHBondContact O-CA 3.44Å; D1746-Y2585 HydrophobicContact CB-CD1 4.08Å; D1746-Y2585 HydrophobicContact CB-CE1 4.17Å
1747L85.7Confident80.4Confident0 Ų024.6 Ų24.60%014%0.142CC..Hα-helixtrans-79.6-37175.5-16165.2000112.2F1735 L1739 E1744 T1745 T1749 A1750 V1751 F2506 I2580 Y2585F1735-L1747 HydrophobicContact CZ-CD2 4.44Å; L1739-L1747 HydrophobicContact CD1-CB 4.03Å; L1739-L1747 HydrophobicContact CD1-CD2 3.83Å; L1739-L1747 HydrophobicContact CD1-CG 3.78Å; L1739-L1747 HydrophobicContact CD2-CD2 3.8Å; L1739-L1747 HydrophobicContact CG-CD2 4.48Å; E1744-L1747 HydrophobicContact CB-CB 4.39Å; E1744-L1747 PolarHBondContact O-N 3.32Å; T1745-L1747 PolarHBondContact O-N 3.09Å; L1747-T1749 VanDerWaalsContact C-N 3.34Å; L1747-T1749 PolarHBondContact O-N 3.36Å; L1747-A1750 WeakPolarHBondContact O-CB 3.46Å; L1747-A1750 PolarHBondContact O-N 3.48Å; L1747-V1751 WeakPolarHBondContact O-CG2 3.25Å; L1747-V1751 PolarHBondContact O-N 3.01Å; L1747-V1751 VanDerWaalsContact O-N 3.07Å; L1747-F2506 HydrophobicContact CD2-CE2 4.03Å; L1747-F2506 HydrophobicContact CD2-CZ 3.85Å; L1747-I2580 HydrophobicContact CD1-CG2 3.82Å; L1747-Y2585 HydrophobicContact CB-CE1 4.28Å; L1747-Y2585 HydrophobicContact CB-CE2 4.43Å; L1747-Y2585 HydrophobicContact CD1-CD2 4.38Å; L1747-Y2585 HydrophobicContact CD1-CE2 3.85Å; L1747-Y2585 HydrophobicContact CD2-CE2 4.28Å; L1747-Y2585 HydrophobicContact CG-CE2 4.43Å
1748S84.7Confident80Confident11 Ų1122.5 Ų22.58%0.07713%0.131CC..Hα-helixtrans-61.6-42.4177.8-163.80000111.7S1736 E1744 T1745 V1751 W1752S1736-S1748 PolarHBondContact OG-OG 2.85Å; E1744-S1748 WeakPolarHBondContact O-CB 3.28Å; E1744-S1748 PolarHBondContact O-N 3.49Å; T1745-S1748 PolarHBondContact O-N 3.41Å; S1748-V1751 PolarHBondContact O-N 3.05Å; S1748-W1752 VanDerWaalsContact O-CD1 3.32Å; S1748-W1752 PolarHBondContact O-N 3.19Å
1749T80.8Confident79.4Confident10 Ų1028.5 Ų28.56%0.06116%0.159CC..Hα-helixtrans-63-42.4174.946.50000110.7T1745 D1746 L1747 V1751 W1752 M1753 Q1769T1745-T1749 WeakPolarHBondContact O-CB 3.23Å; T1745-T1749 WeakPolarHBondContact O-CG2 3.36Å; T1745-T1749 PolarHBondContact O-N 3.42Å; T1745-T1749 PolarHBondContact O-OG1 3.35Å; D1746-T1749 PolarHBondContact O-OG1 2.97Å; L1747-T1749 VanDerWaalsContact C-N 3.34Å; L1747-T1749 PolarHBondContact O-N 3.36Å; T1749-V1751 VanDerWaalsContact C-N 3.3Å; T1749-V1751 PolarHBondContact O-N 2.8Å; T1749-W1752 CarbonylContact O-C 3.5Å; T1749-W1752 PolarHBondContact O-N 3.39Å; T1749-W1752 VanDerWaalsContact O-N 3.11Å; T1749-M1753 VanDerWaalsContact O-CG 3.24Å; T1749-M1753 WeakPolarHBondContact O-CG 2.93Å; T1749-M1753 PolarHBondContact O-N 3.38Å; T1749-Q1769 PolarHBondContact OG1-NE2 3.45Å
1750A80.3Confident79.2Confident2 Ų229.4 Ų29.42%0.01717%0.167CC..Hα-helixtrans-60.3-36174.600000113.6D1746 L1747 R1754 I2580 Q2583D1746-A1750 PolarHBondContact O-N 3.45Å; L1747-A1750 WeakPolarHBondContact O-CB 3.46Å; L1747-A1750 PolarHBondContact O-N 3.48Å; A1750-R1754 PolarHBondContact O-N 2.89Å; A1750-I2580 HydrophobicContact CB-CG1 4.28Å; A1750-Q2583 HydrophobicContact CB-CB 3.9Å
1751V81.9Confident79.2Confident0 Ų027 Ų270%015%0.15CC..Hα-helixtrans-67.2-44.3172.8176.80000110.8L1732 F1735 L1739 L1747 S1748 T1749 M1753 R1754 K1755 I2580L1732-V1751 HydrophobicContact CB-CG1 4.28Å; L1732-V1751 HydrophobicContact CD2-CG1 4.11Å; F1735-V1751 HydrophobicContact CD1-CB 4.44Å; F1735-V1751 HydrophobicContact CD1-CG1 4.12Å; F1735-V1751 HydrophobicContact CD1-CG2 3.4Å; F1735-V1751 HydrophobicContact CE1-CG2 3.45Å; F1735-V1751 VanDerWaalsContact CE1-CG2 3.45Å; F1735-V1751 HydrophobicContact CG-CG2 4.43Å; L1739-V1751 HydrophobicContact CD1-CG2 3.93Å; L1747-V1751 WeakPolarHBondContact O-CG2 3.25Å; L1747-V1751 PolarHBondContact O-N 3.01Å; L1747-V1751 VanDerWaalsContact O-N 3.07Å; S1748-V1751 PolarHBondContact O-N 3.05Å; T1749-V1751 VanDerWaalsContact C-N 3.3Å; T1749-V1751 PolarHBondContact O-N 2.8Å; V1751-M1753 VanDerWaalsContact C-N 3.31Å; V1751-M1753 PolarHBondContact O-N 2.87Å; V1751-R1754 WeakPolarHBondContact O-CA 3.39Å; V1751-R1754 WeakPolarHBondContact O-CB 3.26Å; V1751-R1754 PolarHBondContact O-N 3.01Å; V1751-K1755 WeakPolarHBondContact O-CB 3.46Å; V1751-K1755 PolarHBondContact O-N 3.26Å; V1751-I2580 HydrophobicContact CG2-CD1 3.68Å
1752W78.5Confident79.1Confident16 Ų1627.1 Ų27.16%0.06115%0.145CC..Hα-helixtrans-63-34.8176.3-85.9115.1000113.4S1736 S1748 T1749 R1754 K1755 S1756 M1765 E1807S1736-W1752 VanDerWaalsContact OG-CD1 3.24Å; S1736-W1752 PolarHBondContact OG-NE1 2.65Å; S1748-W1752 VanDerWaalsContact O-CD1 3.32Å; S1748-W1752 PolarHBondContact O-N 3.19Å; T1749-W1752 CarbonylContact O-C 3.5Å; T1749-W1752 PolarHBondContact O-N 3.39Å; T1749-W1752 VanDerWaalsContact O-N 3.11Å; W1752-R1754 PolarHBondContact O-N 3.11Å; W1752-K1755 HydrophobicContact CD2-CD 4.15Å; W1752-K1755 HydrophobicContact CE3-CB 4.31Å; W1752-K1755 HydrophobicContact CE3-CD 3.65Å; W1752-K1755 HydrophobicContact CE3-CG 4.22Å; W1752-K1755 HydrophobicContact CH2-CD 3.96Å; W1752-K1755 VanDerWaalsContact CH2-CE 3.45Å; W1752-K1755 HydrophobicContact CZ2-CD 4.37Å; W1752-K1755 HydrophobicContact CZ3-CD 3.58Å; W1752-K1755 HydrophobicContact CZ3-CG 4.32Å; W1752-K1755 PolarHBondContact O-N 2.93Å; W1752-K1755 VanDerWaalsContact O-N 3.16Å; W1752-S1756 WeakPolarHBondContact O-CB 3.33Å; W1752-S1756 PolarHBondContact O-N 2.93Å; W1752-S1756 PolarHBondContact O-OG 3.4Å; W1752-M1765 HydrophobicContact CB-CE 4.19Å; W1752-M1765 HydrophobicContact CB-SD 3.67Å; W1752-M1765 HydrophobicContact CD2-CE 4.06Å; W1752-M1765 HydrophobicContact CE3-CE 4.33Å; W1752-M1765 HydrophobicContact CG-CE 3.99Å; W1752-M1765 HydrophobicContact CG-SD 4.13Å; W1752-E1807 HydrophobicContact CH2-CB 4.18Å; W1752-E1807 HydrophobicContact CH2-CG 3.4Å; W1752-E1807 HydrophobicContact CZ2-CB 4.49Å; W1752-E1807 HydrophobicContact CZ2-CG 3.32Å; W1752-E1807 WeakPolarHBondContact CZ2-OE1 3.33Å; W1752-E1807 HydrophobicContact CZ3-CG 4.11Å; W1752-E1807 PolarHBondContact NE1-OE1 2.87Å
1753M75.2Confident79Confident40 Ų4028.8 Ų28.820%0.19715%0.153CC..Hα-helixtrans-62.3-24.7172.6-68.9-63.5-74.800112.7T1749 V1751 R1762 L1766T1749-M1753 VanDerWaalsContact O-CG 3.24Å; T1749-M1753 WeakPolarHBondContact O-CG 2.93Å; T1749-M1753 PolarHBondContact O-N 3.38Å; V1751-M1753 VanDerWaalsContact C-N 3.31Å; V1751-M1753 PolarHBondContact O-N 2.87Å; M1753-R1762 HydrophobicContact CE-CB 3.86Å; M1753-R1762 HydrophobicContact CE-CG 4.29Å; M1753-R1762 WeakPolarHBondContact O-CD 3.45Å; M1753-R1762 HydrophobicContact SD-CB 3.5Å; M1753-R1762 WeakPolarHBondContact SD-CB 3.09Å; M1753-R1762 HydrophobicContact SD-CG 3.69Å; M1753-L1766 HydrophobicContact CE-CD1 4.44Å
1754R72.7Confident79.1Confident59 Ų5928.4 Ų28.422%0.22315%0.149CC..Hα-helixtrans-90-32.8172.6-62.9-179.5-176.8-166.4-1.4112.6F1723 A1750 V1751 W1752F1723-R1754 VanDerWaalsContact CE2-O 3.28Å; F1723-R1754 WeakPolarHBondContact CE2-O 3.44Å; A1750-R1754 PolarHBondContact O-N 2.89Å; V1751-R1754 WeakPolarHBondContact O-CA 3.39Å; V1751-R1754 WeakPolarHBondContact O-CB 3.26Å; V1751-R1754 PolarHBondContact O-N 3.01Å; W1752-R1754 PolarHBondContact O-N 3.11Å
1755K74.3Confident79Confident17 Ų1727.9 Ų27.97%0.07415%0.146CC..Hα-helixtrans-76.4-46.2-176.1178.2-175.5157.9176.20113.1L1729 L1732 D1733 V1751 W1752L1729-K1755 HydrophobicContact CD2-CG 4.41Å; L1732-K1755 HydrophobicContact CB-CB 4.33Å; L1732-K1755 HydrophobicContact CB-CD 4.5Å; L1732-K1755 HydrophobicContact CB-CG 4.4Å; L1732-K1755 HydrophobicContact CD1-CB 4.14Å; D1733-K1755 WeakPolarHBondContact OD1-CD 3.45Å; D1733-K1755 WeakPolarHBondContact OD1-CE 3.12Å; D1733-K1755 IonicContact OD1-NZ 3.73Å; D1733-K1755 PolarHBondContact OD1-NZ 3.44Å; D1733-K1755 IonicContact OD2-NZ 3.87Å; D1733-K1755 PolarHBondContact OD2-NZ 3.19Å; V1751-K1755 WeakPolarHBondContact O-CB 3.46Å; V1751-K1755 PolarHBondContact O-N 3.26Å; W1752-K1755 HydrophobicContact CD2-CD 4.15Å; W1752-K1755 HydrophobicContact CE3-CB 4.31Å; W1752-K1755 HydrophobicContact CE3-CD 3.65Å; W1752-K1755 HydrophobicContact CE3-CG 4.22Å; W1752-K1755 HydrophobicContact CH2-CD 3.96Å; W1752-K1755 VanDerWaalsContact CH2-CE 3.45Å; W1752-K1755 HydrophobicContact CZ2-CD 4.37Å; W1752-K1755 HydrophobicContact CZ3-CD 3.58Å; W1752-K1755 HydrophobicContact CZ3-CG 4.32Å; W1752-K1755 PolarHBondContact O-N 2.93Å; W1752-K1755 VanDerWaalsContact O-N 3.16Å
1756S73.7Confident78.9Confident8 Ų824.1 Ų24.16%0.05612%0.123CC..  trans-76.8131.5-170.855.30000111.6W1752 D1758 R1762W1752-S1756 WeakPolarHBondContact O-CB 3.33Å; W1752-S1756 PolarHBondContact O-N 2.93Å; W1752-S1756 PolarHBondContact O-OG 3.4Å; S1756-D1758 VanDerWaalsContact C-N 3.32Å; S1756-R1762 WeakPolarHBondContact OG-CG 3.41Å
1757S68.9Low78.8Confident72 Ų7225.2 Ų25.250%0.50313%0.127SC..  trans-82.1-18.4169.941.90000112.2E1759S1757-E1759 PolarHBondContact O-N 3.43Å
1758D75.4Confident78.5Confident15 Ų1526 Ų268%0.0813%0.13CC..  trans-80.5110.5-176.6-175.413.9000112.2S1756 A1760 L1761 R1762 R1787 D1804 M1808S1756-D1758 VanDerWaalsContact C-N 3.32Å; D1758-A1760 VanDerWaalsContact C-N 3.27Å; D1758-A1760 PolarHBondContact O-N 3.07Å; D1758-A1760 WeakPolarHBondContact OD1-CB 3.23Å; D1758-A1760 PolarHBondContact OD1-N 3.11Å; D1758-A1760 VanDerWaalsContact OD1-N 3.17Å; D1758-L1761 HydrophobicContact CB-CB 4.07Å; D1758-L1761 PolarHBondContact O-N 2.89Å; D1758-R1762 WeakPolarHBondContact O-CG 3.32Å; D1758-R1762 PolarHBondContact O-N 3.19Å; D1758-R1787 IonicContact OD1-NH2 2.65Å; D1758-R1787 PolarHBondContact OD1-NH2 3.48Å; D1758-R1787 IonicContact OD2-CZ 3.57Å; D1758-R1787 IonicContact OD2-NH1 2.75Å; D1758-R1787 PolarHBondContact OD2-NH1 3.1Å; D1758-R1787 IonicContact OD2-NH2 3.91Å; D1758-R1787 PolarHBondContact OD2-NH2 3.15Å; D1758-D1804 HydrophobicContact CB-CB 4.4Å; D1758-M1808 WeakPolarHBondContact OD2-CE 3.15Å
1759E74.5Confident78.3Confident126 Ų12626.2 Ų26.259%0.58913%0.131SC*.Hα-helixtrans-64.9-31.2178.3-171.5166.9-162.800112.7S1757 R1762 Q1763S1757-E1759 PolarHBondContact O-N 3.43Å; E1759-R1762 PolarHBondContact O-N 2.62Å; E1759-Q1763 WeakPolarHBondContact O-CB 3.44Å; E1759-Q1763 PolarHBondContact O-N 3.19Å
1760A79Confident78.2Confident19 Ų1925.9 Ų25.916%0.15713%0.128CC..Hα-helixtrans-67.3-42179.300000111.8D1758 G1764 H1779 T1783 M1808D1758-A1760 VanDerWaalsContact C-N 3.27Å; D1758-A1760 PolarHBondContact O-N 3.07Å; D1758-A1760 WeakPolarHBondContact OD1-CB 3.23Å; D1758-A1760 PolarHBondContact OD1-N 3.11Å; D1758-A1760 VanDerWaalsContact OD1-N 3.17Å; A1760-G1764 PolarHBondContact O-N 2.96Å; A1760-G1764 VanDerWaalsContact O-N 3.09Å; A1760-H1779 PolarHBondContact O-CD2 3.44Å; A1760-H1779 PolarHBondContact O-NE2 3.45Å; A1760-T1783 HydrophobicContact CB-CG2 3.92Å; A1760-M1808 HydrophobicContact CB-CE 4.23Å
1761L82.9Confident78Confident0 Ų027.2 Ų27.20%014%0.142CC..Hα-helixtrans-64.2-46.3175-177.960.8000111.3D1758 Q1763 G1764 M1765 Y1780 D1804 E1807 M1808D1758-L1761 HydrophobicContact CB-CB 4.07Å; D1758-L1761 PolarHBondContact O-N 2.89Å; L1761-Q1763 VanDerWaalsContact C-N 3.31Å; L1761-Q1763 PolarHBondContact O-N 3.41Å; L1761-G1764 PolarHBondContact O-N 3.34Å; L1761-M1765 HydrophobicContact CD1-CE 3.75Å; L1761-M1765 HydrophobicContact CD1-CG 4.18Å; L1761-M1765 HydrophobicContact CD1-SD 4.27Å; L1761-M1765 HydrophobicContact CD2-CE 4Å; L1761-M1765 HydrophobicContact CG-CE 3.85Å; L1761-M1765 HydrophobicContact CG-CG 4.38Å; L1761-M1765 HydrophobicContact CG-SD 4Å; L1761-M1765 WeakPolarHBondContact O-CB 3.16Å; L1761-M1765 WeakPolarHBondContact O-CG 3.36Å; L1761-M1765 PolarHBondContact O-N 2.91Å; L1761-Y1780 HydrophobicContact CD1-CE1 4.18Å; L1761-D1804 HydrophobicContact CD2-CB 4.01Å; L1761-E1807 HydrophobicContact CD2-CB 4.46Å; L1761-M1808 HydrophobicContact CB-CE 3.97Å; L1761-M1808 HydrophobicContact CD1-CB 3.84Å; L1761-M1808 HydrophobicContact CD1-CE 4.38Å; L1761-M1808 HydrophobicContact CD1-CG 4.26Å
1762R80.6Confident77.8Confident50 Ų5029.7 Ų29.719%0.18915%0.153CC..Hα-helixtrans-56.2-45.4177.2-73.7-168.8-66.1128.22112.2M1753 S1756 D1758 E1759 M1765 L1766M1753-R1762 HydrophobicContact CE-CB 3.86Å; M1753-R1762 HydrophobicContact CE-CG 4.29Å; M1753-R1762 WeakPolarHBondContact O-CD 3.45Å; M1753-R1762 HydrophobicContact SD-CB 3.5Å; M1753-R1762 WeakPolarHBondContact SD-CB 3.09Å; M1753-R1762 HydrophobicContact SD-CG 3.69Å; S1756-R1762 WeakPolarHBondContact OG-CG 3.41Å; D1758-R1762 WeakPolarHBondContact O-CG 3.32Å; D1758-R1762 PolarHBondContact O-N 3.19Å; E1759-R1762 PolarHBondContact O-N 2.62Å; R1762-M1765 PolarHBondContact O-N 2.78Å; R1762-L1766 WeakPolarHBondContact O-CB 3.43Å; R1762-L1766 PolarHBondContact O-N 2.92Å; R1762-L1766 VanDerWaalsContact O-N 3.08Å
1763Q80.2Confident77.8Confident44 Ų4430.8 Ų30.821%0.20616%0.159CC..Hα-helixtrans-65-43.6178.9-171.3175.415.400112.2E1759 L1761 L1766 W1767 E2648E1759-Q1763 WeakPolarHBondContact O-CB 3.44Å; E1759-Q1763 PolarHBondContact O-N 3.19Å; L1761-Q1763 VanDerWaalsContact C-N 3.31Å; L1761-Q1763 PolarHBondContact O-N 3.41Å; Q1763-L1766 PolarHBondContact O-N 3.44Å; Q1763-W1767 HydrophobicContact CG-CD2 4.48Å; Q1763-W1767 HydrophobicContact CG-CE3 4.46Å; Q1763-W1767 HydrophobicContact CG-CH2 3.86Å; Q1763-W1767 HydrophobicContact CG-CZ2 3.86Å; Q1763-W1767 HydrophobicContact CG-CZ3 4.14Å; Q1763-W1767 PolarHBondContact O-N 3Å; Q1763-E2648 PolarHBondContact NE2-O 3.38Å
1764G81.2Confident78Confident0 Ų034.1 Ų34.10%017%0.174CC..Hα-helixtrans-62.2-46.1175.500000112.6A1760 L1761 L1766 W1767 D1768 S1776 Y1780A1760-G1764 PolarHBondContact O-N 2.96Å; A1760-G1764 VanDerWaalsContact O-N 3.09Å; L1761-G1764 PolarHBondContact O-N 3.34Å; G1764-L1766 VanDerWaalsContact C-N 3.27Å; G1764-L1766 PolarHBondContact O-N 3.49Å; G1764-W1767 WeakPolarHBondContact O-CA 3.48Å; G1764-W1767 WeakPolarHBondContact O-CB 3.41Å; G1764-W1767 PolarHBondContact O-N 3.39Å; G1764-D1768 PolarHBondContact O-N 3.33Å; G1764-S1776 PolarHBondContact O-OG 3.49Å; G1764-Y1780 WeakPolarHBondContact CA-OH 3.41Å; G1764-Y1780 PolarHBondContact O-OH 3.29Å
1765M83.7Confident78.3Confident1 Ų135.5 Ų35.51%0.00518%0.181CC..Hα-helixtrans-63-34.9-179.6-76179.4166.900112W1752 L1761 R1762 D1768 Q1769 Y1780 E1807 H1811W1752-M1765 HydrophobicContact CB-CE 4.19Å; W1752-M1765 HydrophobicContact CB-SD 3.67Å; W1752-M1765 HydrophobicContact CD2-CE 4.06Å; W1752-M1765 HydrophobicContact CE3-CE 4.33Å; W1752-M1765 HydrophobicContact CG-CE 3.99Å; W1752-M1765 HydrophobicContact CG-SD 4.13Å; L1761-M1765 HydrophobicContact CD1-CE 3.75Å; L1761-M1765 HydrophobicContact CD1-CG 4.18Å; L1761-M1765 HydrophobicContact CD1-SD 4.27Å; L1761-M1765 HydrophobicContact CD2-CE 4Å; L1761-M1765 HydrophobicContact CG-CE 3.85Å; L1761-M1765 HydrophobicContact CG-CG 4.38Å; L1761-M1765 HydrophobicContact CG-SD 4Å; L1761-M1765 WeakPolarHBondContact O-CB 3.16Å; L1761-M1765 WeakPolarHBondContact O-CG 3.36Å; L1761-M1765 PolarHBondContact O-N 2.91Å; R1762-M1765 PolarHBondContact O-N 2.78Å; M1765-D1768 PolarHBondContact O-N 2.94Å; M1765-Q1769 WeakPolarHBondContact O-CB 3.3Å; M1765-Q1769 PolarHBondContact O-N 2.77Å; M1765-Y1780 WeakPolarHBondContact CA-OH 3.34Å; M1765-Y1780 PolarHBondContact N-OH 3.47Å; M1765-E1807 HydrophobicContact CE-CB 4.19Å; M1765-E1807 HydrophobicContact CE-CG 4.31Å; M1765-H1811 VanDerWaalsContact CE-CD2 3.45Å; M1765-H1811 WeakPolarHBondContact CE-CD2 3.49Å; M1765-H1811 VanDerWaalsContact CE-NE2 3.32Å; M1765-H1811 WeakPolarHBondContact CE-NE2 3.33Å
1766L79.1Confident78.8Confident10 Ų1034.7 Ų34.75%0.05218%0.178CC..Hα-helixtrans-64.5-39.7174-165.684.4000111.4M1753 R1762 Q1763 G1764 Q1769 H1770 V2647M1753-L1766 HydrophobicContact CE-CD1 4.44Å; R1762-L1766 WeakPolarHBondContact O-CB 3.43Å; R1762-L1766 PolarHBondContact O-N 2.92Å; R1762-L1766 VanDerWaalsContact O-N 3.08Å; Q1763-L1766 PolarHBondContact O-N 3.44Å; G1764-L1766 VanDerWaalsContact C-N 3.27Å; G1764-L1766 PolarHBondContact O-N 3.49Å; L1766-Q1769 PolarHBondContact O-N 3.4Å; L1766-H1770 PolarHBondContact O-CD2 3.37Å; L1766-H1770 PolarHBondContact O-N 2.94Å; L1766-V2647 HydrophobicContact CD2-CG1 3.18Å; L1766-V2647 HydrophobicContact CG-CG1 4.02Å
1767W81Confident79.3Confident30 Ų3035.5 Ų35.511%0.11418%0.18CC..Hα-helixtrans-68.2-39174.2-69.4-26.6000112.6Q1763 G1764 H1770 G1771 Q1772 K1775 H1779 V2647Q1763-W1767 HydrophobicContact CG-CD2 4.48Å; Q1763-W1767 HydrophobicContact CG-CE3 4.46Å; Q1763-W1767 HydrophobicContact CG-CH2 3.86Å; Q1763-W1767 HydrophobicContact CG-CZ2 3.86Å; Q1763-W1767 HydrophobicContact CG-CZ3 4.14Å; Q1763-W1767 PolarHBondContact O-N 3Å; G1764-W1767 WeakPolarHBondContact O-CA 3.48Å; G1764-W1767 WeakPolarHBondContact O-CB 3.41Å; G1764-W1767 PolarHBondContact O-N 3.39Å; W1767-H1770 CarbonylContact O-C 3.18Å; W1767-H1770 PolarHBondContact O-N 3.48Å; W1767-G1771 PolarHBondContact O-N 2.97Å; W1767-Q1772 HydrophobicContact CB-CB 4.26Å; W1767-Q1772 PolarHBondContact O-N 3.03Å; W1767-K1775 HydrophobicContact CD2-CB 4.48Å; W1767-K1775 HydrophobicContact CE3-CB 4.39Å; W1767-H1779 HydrophobicContact CE3-CB 4.14Å; W1767-H1779 HydrophobicContact CZ3-CB 3.54Å; W1767-H1779 AromaticContact CZ3-CD2 3.95Å; W1767-H1779 AromaticContact CZ3-CG 3.52Å; W1767-H1779 AromaticContact CZ3-ND1 3.77Å; W1767-V2647 PolarHBondContact NE1-O 3.32Å
1768D80.6Confident80Confident15 Ų1536.7 Ų36.78%0.0818%0.177CC..Hα-helixtrans-61-45.4173-69.4-23.8000111.6G1764 M1765 H1770 G1771 F1773 S1776 Y1780 H1811G1764-D1768 PolarHBondContact O-N 3.33Å; M1765-D1768 PolarHBondContact O-N 2.94Å; D1768-H1770 PolarHBondContact O-N 3.3Å; D1768-G1771 PolarHBondContact O-N 2.91Å; D1768-F1773 HydrophobicContact CB-CD1 4.49Å; D1768-F1773 HydrophobicContact CB-CE1 4.14Å; D1768-S1776 VanDerWaalsContact CG-OG 3.23Å; D1768-S1776 WeakPolarHBondContact OD1-CB 3.48Å; D1768-S1776 PolarHBondContact OD1-OG 3.39Å; D1768-Y1780 WeakPolarHBondContact OD2-CE2 3.45Å; D1768-Y1780 PolarHBondContact OD2-OH 3.33Å; D1768-H1811 IonicContact OD2-CE1 3.24Å; D1768-H1811 IonicContact OD2-CG 3.75Å; D1768-H1811 IonicContact OD2-ND1 2.62Å; D1768-H1811 PolarHBondContact OD2-ND1 3.39Å
1769Q80.9Confident80.5Confident17 Ų1737.7 Ų37.78%0.07918%0.182CC..Hα-helixtrans-55.9-39.9178.5-175.2173.232.200111.4D1746 T1749 M1765 L1766 R2406 P2588D1746-Q1769 PolarHBondContact O-NE2 3.39Å; D1746-Q1769 VanDerWaalsContact OD1-CG 3.28Å; D1746-Q1769 WeakPolarHBondContact OD1-CG 3.4Å; D1746-Q1769 PolarHBondContact OD1-NE2 3.01Å; T1749-Q1769 PolarHBondContact OG1-NE2 3.45Å; M1765-Q1769 WeakPolarHBondContact O-CB 3.3Å; M1765-Q1769 PolarHBondContact O-N 2.77Å; L1766-Q1769 PolarHBondContact O-N 3.4Å; Q1769-R2406 PolarHBondContact O-NH2 2.84Å; Q1769-P2588 HydrophobicContact CG-CG 4.29Å
1770H77.4Confident81Confident3 Ų331.7 Ų31.71%0.01415%0.154CC..THydrogen-bonded Turntrans-94.823.5178.8-54-66.2000114L1766 W1767 D1768 Q1772 R2595L1766-H1770 PolarHBondContact O-CD2 3.37Å; L1766-H1770 PolarHBondContact O-N 2.94Å; W1767-H1770 CarbonylContact O-C 3.18Å; W1767-H1770 PolarHBondContact O-N 3.48Å; D1768-H1770 PolarHBondContact O-N 3.3Å; H1770-Q1772 VanDerWaalsContact C-N 3.25Å; H1770-Q1772 PolarHBondContact O-N 2.75Å; H1770-Q1772 VanDerWaalsContact O-N 3.16Å; H1770-R2595 PolarHBondContact O-NH1 2.88Å
1771G75.9Confident81.2Confident29 Ų2933.4 Ų33.430%0.29916%0.16SC..THydrogen-bonded Turntrans68.713.3171.200000115.8W1767 D1768 F1773W1767-G1771 PolarHBondContact O-N 2.97Å; D1768-G1771 PolarHBondContact O-N 2.91Å; G1771-F1773 VanDerWaalsContact C-N 3.27Å; G1771-F1773 PolarHBondContact O-N 3.19Å
1772Q77.7Confident81.3Confident52 Ų5237.7 Ų37.724%0.24318%0.183CC..  trans-90.753.8179.5-68.7-172.7-9.500111.9W1767 H1770 E1774 K1775 S1776W1767-Q1772 HydrophobicContact CB-CB 4.26Å; W1767-Q1772 PolarHBondContact O-N 3.03Å; H1770-Q1772 VanDerWaalsContact C-N 3.25Å; H1770-Q1772 PolarHBondContact O-N 2.75Å; H1770-Q1772 VanDerWaalsContact O-N 3.16Å; Q1772-E1774 PolarHBondContact O-N 3.24Å; Q1772-E1774 VanDerWaalsContact O-N 3.15Å; Q1772-K1775 PolarHBondContact O-N 2.96Å; Q1772-S1776 PolarHBondContact O-N 2.64Å; Q1772-S1776 VanDerWaalsContact O-N 3.11Å
1773F79.5Confident81.4Confident39 Ų3936.3 Ų36.317%0.17118%0.18CC..Hα-helixtrans-60.7-27.4-173.2-60.9-65.9000114.1D1768 G1771 R1777 A1815 Q1818 L1819D1768-F1773 HydrophobicContact CB-CD1 4.49Å; D1768-F1773 HydrophobicContact CB-CE1 4.14Å; G1771-F1773 VanDerWaalsContact C-N 3.27Å; G1771-F1773 PolarHBondContact O-N 3.19Å; F1773-R1777 WeakPolarHBondContact O-CB 3.24Å; F1773-R1777 PolarHBondContact O-N 2.8Å; F1773-A1815 HydrophobicContact CB-CB 4.15Å; F1773-A1815 HydrophobicContact CD1-CB 4.15Å; F1773-Q1818 HydrophobicContact CD1-CB 4.27Å; F1773-Q1818 HydrophobicContact CD1-CG 4.32Å; F1773-Q1818 HydrophobicContact CD2-CB 3.68Å; F1773-Q1818 HydrophobicContact CD2-CG 4.25Å; F1773-Q1818 HydrophobicContact CE1-CB 4.39Å; F1773-Q1818 HydrophobicContact CE1-CG 4.01Å; F1773-Q1818 HydrophobicContact CE2-CB 3.82Å; F1773-Q1818 HydrophobicContact CE2-CG 3.93Å; F1773-Q1818 HydrophobicContact CG-CB 3.92Å; F1773-Q1818 HydrophobicContact CG-CG 4.43Å; F1773-Q1818 HydrophobicContact CZ-CB 4.18Å; F1773-Q1818 HydrophobicContact CZ-CG 3.81Å; F1773-L1819 HydrophobicContact CB-CD1 4.2Å; F1773-L1819 HydrophobicContact CB-CD2 4.14Å; F1773-L1819 HydrophobicContact CB-CG 3.92Å
1774E78.7Confident81.3Confident110 Ų11035 Ų3551%0.51417%0.174SC..Hα-helixtrans-68.9-45.1179.6-171.6159.8-138.500112.5Q1772 E1778 L1819Q1772-E1774 PolarHBondContact O-N 3.24Å; Q1772-E1774 VanDerWaalsContact O-N 3.15Å; E1774-E1778 WeakPolarHBondContact O-CG 3.31Å; E1774-E1778 PolarHBondContact O-N 2.97Å; E1774-L1819 HydrophobicContact CB-CD1 4.33Å; E1774-L1819 HydrophobicContact CB-CD2 4.41Å
1775K80.2Confident81.1Confident88 Ų8839.7 Ų39.738%0.38319%0.194SC..Hα-helixtrans-66.3-42.7174.5-66.3-178179.4177.50111.2W1767 Q1772 E1778 H1779W1767-K1775 HydrophobicContact CD2-CB 4.48Å; W1767-K1775 HydrophobicContact CE3-CB 4.39Å; Q1772-K1775 PolarHBondContact O-N 2.96Å; K1775-E1778 PolarHBondContact O-N 3.01Å; K1775-H1779 WeakPolarHBondContact O-CB 2.81Å; K1775-H1779 PolarHBondContact O-N 2.85Å
1776S83Confident80.8Confident0 Ų045 Ų450%022%0.222CC..Hα-helixtrans-60.3-47.5178-169.50000112.1G1764 D1768 Q1772 E1778 H1779 Y1780G1764-S1776 PolarHBondContact O-OG 3.49Å; D1768-S1776 VanDerWaalsContact CG-OG 3.23Å; D1768-S1776 WeakPolarHBondContact OD1-CB 3.48Å; D1768-S1776 PolarHBondContact OD1-OG 3.39Å; Q1772-S1776 PolarHBondContact O-N 2.64Å; Q1772-S1776 VanDerWaalsContact O-N 3.11Å; S1776-E1778 PolarHBondContact O-N 3.3Å; S1776-H1779 WeakPolarHBondContact O-CB 3.47Å; S1776-H1779 PolarHBondContact O-N 3.04Å; S1776-Y1780 WeakPolarHBondContact O-CD2 3.35Å; S1776-Y1780 PolarHBondContact O-N 2.74Å; S1776-Y1780 WeakPolarHBondContact OG-CE2 3.43Å
1777R84.6Confident80.3Confident25 Ų2546.1 Ų46.19%0.09423%0.226CC..Hα-helixtrans-56.3-49.5175.9-172.9-163.580.1-123.8-5.8112F1773 H1779 L1781 F1812 A1815 K1821F1773-R1777 WeakPolarHBondContact O-CB 3.24Å; F1773-R1777 PolarHBondContact O-N 2.8Å; R1777-H1779 VanDerWaalsContact C-N 3.3Å; R1777-H1779 PolarHBondContact O-N 3.08Å; R1777-L1781 VanDerWaalsContact O-CB 3.24Å; R1777-L1781 WeakPolarHBondContact O-CB 3.48Å; R1777-L1781 PolarHBondContact O-N 2.72Å; R1777-F1812 HydrophobicContact CG-CD2 3.99Å; R1777-F1812 HydrophobicContact CG-CE2 3.54Å; R1777-F1812 HydrophobicContact CG-CZ 4.34Å; R1777-A1815 HydrophobicContact CB-CB 4.17Å; R1777-K1821 VanDerWaalsContact CZ-NZ 3.34Å
1778E84.4Confident79.7Confident98 Ų9850.3 Ų50.346%0.45825%0.247SC..Hα-helixtrans-63.1-40.2-179.5-73.2-178.9-179.700111.7E1774 K1775 S1776 N1782E1774-E1778 WeakPolarHBondContact O-CG 3.31Å; E1774-E1778 PolarHBondContact O-N 2.97Å; K1775-E1778 PolarHBondContact O-N 3.01Å; S1776-E1778 PolarHBondContact O-N 3.3Å; E1778-N1782 WeakPolarHBondContact O-CB 3.4Å; E1778-N1782 PolarHBondContact O-N 3.41Å; E1778-N1782 PolarHBondContact O-ND2 2.82Å; E1778-N1782 VanDerWaalsContact O-ND2 3.16Å
1779H84.7Confident79.1Confident36 Ų3656.2 Ų56.217%0.16727%0.274CS..Hα-helixtrans-63.2-54.1176.5-176.776.5000112.4A1760 W1767 K1775 S1776 R1777 L1781 N1782 T1783A1760-H1779 PolarHBondContact O-CD2 3.44Å; A1760-H1779 PolarHBondContact O-NE2 3.45Å; W1767-H1779 HydrophobicContact CE3-CB 4.14Å; W1767-H1779 HydrophobicContact CZ3-CB 3.54Å; W1767-H1779 AromaticContact CZ3-CD2 3.95Å; W1767-H1779 AromaticContact CZ3-CG 3.52Å; W1767-H1779 AromaticContact CZ3-ND1 3.77Å; K1775-H1779 WeakPolarHBondContact O-CB 2.81Å; K1775-H1779 PolarHBondContact O-N 2.85Å; S1776-H1779 WeakPolarHBondContact O-CB 3.47Å; S1776-H1779 PolarHBondContact O-N 3.04Å; R1777-H1779 VanDerWaalsContact C-N 3.3Å; R1777-H1779 PolarHBondContact O-N 3.08Å; H1779-L1781 VanDerWaalsContact C-N 3.3Å; H1779-L1781 PolarHBondContact O-N 3.17Å; H1779-N1782 PolarHBondContact O-N 3Å; H1779-N1782 VanDerWaalsContact O-N 3.17Å; H1779-T1783 WeakPolarHBondContact O-CG2 3.43Å; H1779-T1783 PolarHBondContact O-N 3.07Å; H1779-T1783 PolarHBondContact O-OG1 3.29Å
1780Y86.3Confident78.2Confident0 Ų058.1 Ų58.10%029%0.289CS..Hα-helixtrans-58.2-42.6177.4-66-42.2000112.2L1761 G1764 M1765 D1768 S1776 N1782 T1783 I1784 M1808 H1811 F1812L1761-Y1780 HydrophobicContact CD1-CE1 4.18Å; G1764-Y1780 WeakPolarHBondContact CA-OH 3.41Å; G1764-Y1780 PolarHBondContact O-OH 3.29Å; M1765-Y1780 WeakPolarHBondContact CA-OH 3.34Å; M1765-Y1780 PolarHBondContact N-OH 3.47Å; D1768-Y1780 WeakPolarHBondContact OD2-CE2 3.45Å; D1768-Y1780 PolarHBondContact OD2-OH 3.33Å; S1776-Y1780 WeakPolarHBondContact O-CD2 3.35Å; S1776-Y1780 PolarHBondContact O-N 2.74Å; S1776-Y1780 WeakPolarHBondContact OG-CE2 3.43Å; Y1780-N1782 VanDerWaalsContact C-N 3.34Å; Y1780-N1782 PolarHBondContact O-N 3.47Å; Y1780-T1783 VanDerWaalsContact CA-OG1 3.29Å; Y1780-T1783 WeakPolarHBondContact CA-OG1 3.32Å; Y1780-T1783 PolarHBondContact O-N 3.3Å; Y1780-T1783 PolarHBondContact O-OG1 3.38Å; Y1780-I1784 WeakPolarHBondContact O-CB 3.17Å; Y1780-I1784 WeakPolarHBondContact O-CD1 3.17Å; Y1780-I1784 WeakPolarHBondContact O-CG1 3.43Å; Y1780-I1784 PolarHBondContact O-N 2.96Å; Y1780-M1808 HydrophobicContact CD1-CG 3.48Å; Y1780-M1808 VanDerWaalsContact CD1-CG 3.48Å; Y1780-M1808 HydrophobicContact CD1-SD 4.28Å; Y1780-M1808 HydrophobicContact CE1-CG 4.05Å; Y1780-M1808 HydrophobicContact CG-CG 4.12Å; Y1780-H1811 HydrophobicContact CD2-CB 4.49Å; Y1780-H1811 HydrophobicContact CE2-CB 3.64Å; Y1780-F1812 HydrophobicContact CD2-CB 4.11Å; Y1780-F1812 HydrophobicContact CG-CB 4.39Å
1781L83.7Confident77.1Confident54 Ų5463.5 Ų63.528%0.28332%0.318SS..Hα-helixtrans-61.9-43.7178.1-175.964.6000111.7R1777 H1779 K1785 F1812R1777-L1781 VanDerWaalsContact O-CB 3.24Å; R1777-L1781 WeakPolarHBondContact O-CB 3.48Å; R1777-L1781 PolarHBondContact O-N 2.72Å; H1779-L1781 VanDerWaalsContact C-N 3.3Å; H1779-L1781 PolarHBondContact O-N 3.17Å; L1781-K1785 HydrophobicContact CD1-CD 4.47Å; L1781-K1785 HydrophobicContact CG-CD 4.27Å; L1781-K1785 WeakPolarHBondContact O-CB 3.41Å; L1781-K1785 VanDerWaalsContact O-CG 3.24Å; L1781-K1785 WeakPolarHBondContact O-CG 3.45Å; L1781-K1785 PolarHBondContact O-N 3.39Å; L1781-F1812 HydrophobicContact CB-CE2 3.99Å; L1781-F1812 HydrophobicContact CD1-CE2 4.22Å; L1781-F1812 HydrophobicContact CD1-CZ 4.39Å
1782N84.2Confident75.9Confident91 Ų9166.7 Ų66.749%0.48734%0.341SS..Hα-helixtrans-66.1-42.5178.6-71.1-21.4000111E1778 H1779 Y1780 L1786E1778-N1782 WeakPolarHBondContact O-CB 3.4Å; E1778-N1782 PolarHBondContact O-N 3.41Å; E1778-N1782 PolarHBondContact O-ND2 2.82Å; E1778-N1782 VanDerWaalsContact O-ND2 3.16Å; H1779-N1782 PolarHBondContact O-N 3Å; H1779-N1782 VanDerWaalsContact O-N 3.17Å; Y1780-N1782 VanDerWaalsContact C-N 3.34Å; Y1780-N1782 PolarHBondContact O-N 3.47Å; N1782-L1786 WeakPolarHBondContact O-CB 3.45Å; N1782-L1786 WeakPolarHBondContact O-CD1 3.32Å; N1782-L1786 WeakPolarHBondContact O-CG 3.31Å; N1782-L1786 PolarHBondContact O-N 3.4Å
1783T81.7Confident74.6Confident21 Ų2168 Ų6813%0.12936%0.356CS..Hα-helixtrans-70-39.6179.850.80000112.5A1760 H1779 Y1780 L1786 R1787 M1808A1760-T1783 HydrophobicContact CB-CG2 3.92Å; H1779-T1783 WeakPolarHBondContact O-CG2 3.43Å; H1779-T1783 PolarHBondContact O-N 3.07Å; H1779-T1783 PolarHBondContact O-OG1 3.29Å; Y1780-T1783 VanDerWaalsContact CA-OG1 3.29Å; Y1780-T1783 WeakPolarHBondContact CA-OG1 3.32Å; Y1780-T1783 PolarHBondContact O-N 3.3Å; Y1780-T1783 PolarHBondContact O-OG1 3.38Å; T1783-L1786 PolarHBondContact O-N 2.89Å; T1783-R1787 WeakPolarHBondContact O-CG 3.21Å; T1783-R1787 PolarHBondContact O-N 3.11Å; T1783-M1808 PolarHBondContact OG1-SD 2.77Å
1784I78.1Confident72.9Confident17 Ų1772.8 Ų72.89%0.08738%0.383CS..Hα-helixtrans-62.9-47.5174.5-69.5164.3000110.1Y1780 L1786 R1787 E1788 M1808 V1809 F1812Y1780-I1784 WeakPolarHBondContact O-CB 3.17Å; Y1780-I1784 WeakPolarHBondContact O-CD1 3.17Å; Y1780-I1784 WeakPolarHBondContact O-CG1 3.43Å; Y1780-I1784 PolarHBondContact O-N 2.96Å; I1784-L1786 VanDerWaalsContact C-N 3.32Å; I1784-L1786 PolarHBondContact O-N 2.88Å; I1784-R1787 WeakPolarHBondContact O-CB 3.44Å; I1784-R1787 PolarHBondContact O-N 2.79Å; I1784-E1788 HydrophobicContact CG2-CG 4.35Å; I1784-E1788 WeakPolarHBondContact O-CG 3.45Å; I1784-E1788 PolarHBondContact O-N 3.24Å; I1784-M1808 HydrophobicContact CD1-CG 4.28Å; I1784-M1808 HydrophobicContact CG1-CG 4.24Å; I1784-M1808 HydrophobicContact CG1-SD 3.86Å; I1784-V1809 HydrophobicContact CD1-CG2 3.96Å; I1784-F1812 HydrophobicContact CD1-CB 4.48Å
1785K78.3Confident71.4Confident97 Ų9771.6 Ų71.642%0.42240%0.401SS..Hα-helixtrans-59.7-41.4176.9-76.5174.7179.7175.50112.6L1781 R1787 Q1789L1781-K1785 HydrophobicContact CD1-CD 4.47Å; L1781-K1785 HydrophobicContact CG-CD 4.27Å; L1781-K1785 WeakPolarHBondContact O-CB 3.41Å; L1781-K1785 VanDerWaalsContact O-CG 3.24Å; L1781-K1785 WeakPolarHBondContact O-CG 3.45Å; L1781-K1785 PolarHBondContact O-N 3.39Å; K1785-R1787 VanDerWaalsContact C-N 3.28Å; K1785-R1787 PolarHBondContact O-N 2.89Å; K1785-Q1789 WeakPolarHBondContact O-CG 3.37Å; K1785-Q1789 PolarHBondContact O-N 3.04Å
1786L75.9Confident69.5Low113 Ų11377 Ų7759%0.59242%0.424SS*.Hα-helixtrans-63.3-35.7175.8-73.7167.1000111.5N1782 T1783 I1784 S1790N1782-L1786 WeakPolarHBondContact O-CB 3.45Å; N1782-L1786 WeakPolarHBondContact O-CD1 3.32Å; N1782-L1786 WeakPolarHBondContact O-CG 3.31Å; N1782-L1786 PolarHBondContact O-N 3.4Å; T1783-L1786 PolarHBondContact O-N 2.89Å; I1784-L1786 VanDerWaalsContact C-N 3.32Å; I1784-L1786 PolarHBondContact O-N 2.88Å; L1786-S1790 PolarHBondContact O-N 3.03Å; L1786-S1790 VanDerWaalsContact O-N 3.12Å; L1786-S1790 PolarHBondContact O-OG 3.44Å
1787R70.3Confident67.5Low33 Ų3385.2 Ų85.213%0.12546%0.462CS..Hα-helixtrans-72.3-45.8177.3-76.8-179.7-180168.79.5113.7D1758 T1783 I1784 K1785 Q1789 S1790 D1791D1758-R1787 IonicContact OD1-NH2 2.65Å; D1758-R1787 PolarHBondContact OD1-NH2 3.48Å; D1758-R1787 IonicContact OD2-CZ 3.57Å; D1758-R1787 IonicContact OD2-NH1 2.75Å; D1758-R1787 PolarHBondContact OD2-NH1 3.1Å; D1758-R1787 IonicContact OD2-NH2 3.91Å; D1758-R1787 PolarHBondContact OD2-NH2 3.15Å; T1783-R1787 WeakPolarHBondContact O-CG 3.21Å; T1783-R1787 PolarHBondContact O-N 3.11Å; I1784-R1787 WeakPolarHBondContact O-CB 3.44Å; I1784-R1787 PolarHBondContact O-N 2.79Å; K1785-R1787 VanDerWaalsContact C-N 3.28Å; K1785-R1787 PolarHBondContact O-N 2.89Å; R1787-Q1789 PolarHBondContact O-N 2.59Å; R1787-S1790 WeakPolarHBondContact CA-OG 3.42Å; R1787-S1790 PolarHBondContact O-N 3.43Å; R1787-S1790 PolarHBondContact O-OG 2.87Å; R1787-D1791 PolarHBondContact O-N 3.18Å
1788E67.8Low65.8Low119 Ų11989.8 Ų89.856%0.55650%0.495SS*.Hα-helixtrans-57.3-32.6174.6-71.2179164.400111.3I1784I1784-E1788 HydrophobicContact CG2-CG 4.35Å; I1784-E1788 WeakPolarHBondContact O-CG 3.45Å; I1784-E1788 PolarHBondContact O-N 3.24Å
1789Q67.6Low64.4Low138 Ų13887.5 Ų87.565%0.64550%0.498SS*.Hα-helixtrans-75.4-31.9174.2-70171.514.700113.3K1785 R1787K1785-Q1789 WeakPolarHBondContact O-CG 3.37Å; K1785-Q1789 PolarHBondContact O-N 3.04Å; R1787-Q1789 PolarHBondContact O-N 2.59Å
1790S62.6Low62.9Low57 Ų5789.7 Ų89.740%0.39951%0.505SS..Hα-helixtrans-83-34.6179.463.20000114.1L1786 R1787 A1792 S1793L1786-S1790 PolarHBondContact O-N 3.03Å; L1786-S1790 VanDerWaalsContact O-N 3.12Å; L1786-S1790 PolarHBondContact O-OG 3.44Å; R1787-S1790 WeakPolarHBondContact CA-OG 3.42Å; R1787-S1790 PolarHBondContact O-N 3.43Å; R1787-S1790 PolarHBondContact O-OG 2.87Å; S1790-A1792 PolarHBondContact O-N 3.36Å; S1790-S1793 PolarHBondContact O-N 3.43Å; S1790-S1793 PolarHBondContact O-OG 2.9Å
1791D54.7Low61.7Low117 Ų11797 Ų9763%0.62653%0.533SS*.Hα-helixtrans-67.8-22.7-178.9-72.1-17.9000112.5R1787 S1793R1787-D1791 PolarHBondContact O-N 3.18Å; D1791-S1793 PolarHBondContact O-N 3.15Å
1792A50.6Low60.8Low95 Ų9598.6 Ų98.679%0.78555%0.545SS*.THydrogen-bonded Turntrans-66-9168.600000113.7S1790S1790-A1792 PolarHBondContact O-N 3.36Å
1793S50.4Low60Low79 Ų79100.4 Ų100.455%0.55255%0.548SS*.THydrogen-bonded Turntrans-122.9-15-169.570.90000117.2S1790 D1791S1790-S1793 PolarHBondContact O-N 3.43Å; S1790-S1793 PolarHBondContact O-OG 2.9Å; D1791-S1793 PolarHBondContact O-N 3.15Å
1794N43.9Very low59.6Low140 Ų14099.8 Ų99.875%0.74954%0.544SS*.  trans-147.9113.4-179.7-84.9-41.5000113.9K1796N1794-K1796 PolarHBondContact O-N 3.43Å
1795G46.2Very low59.5Low85 Ų85101.5 Ų101.588%0.87655%0.552SS**  trans-97.367179.600000115
1796K40.6Very low59.5Low203 Ų203102.2 Ų102.288%0.88356%0.556SS**  trans-136.2122.7168.6-74.6-170.1177.2-179.40113.3N1794N1794-K1796 PolarHBondContact O-N 3.43Å
1797E40.8Very low59.7Low171 Ų17199 Ų9980%0.79954%0.538SS*.  trans76.986.2170.5-59.4-162.4175.200119.4G1799E1797-G1799 PolarHBondContact O-N 3.11Å
1798P48.8Very low60.2Low121 Ų12197.4 Ų97.479%0.78653%0.532SS*.  trans-99.340.1-171.840.5-34.9000114.2
1799G55.2Low60.9Low50 Ų5093.3 Ų93.352%0.51552%0.515SS..SBendtrans-102.2-48-176.800000115E1797 F1803E1797-G1799 PolarHBondContact O-N 3.11Å; G1799-F1803 WeakPolarHBondContact O-CD2 3.33Å; G1799-F1803 WeakPolarHBondContact O-CE2 3.09Å
1800R52.7Low61.5Low82 Ų8289.9 Ų89.931%0.30950%0.499SS..SBendtrans-104.7-35.1-163.9-160.4175.3180169.71.7113.9F1723 V1802 F1803F1723-R1800 PolarHBondContact O-NH1 3.21Å; R1800-V1802 VanDerWaalsContact C-N 3.27Å; R1800-V1802 PolarHBondContact O-N 2.94Å; R1800-F1803 PolarHBondContact O-N 3.18Å
1801W61.3Low62.4Low155 Ų15588.7 Ų88.759%0.58749%0.487SS*.Hα-helixtrans-64.8-28.7177.9-69.589.7000113.4F1803 H1805W1801-F1803 PolarHBondContact O-N 3.34Å; W1801-H1805 WeakPolarHBondContact O-CB 3.42Å; W1801-H1805 PolarHBondContact O-N 3.46Å
1802V65Low63.9Low87 Ų8783.6 Ų83.653%0.52746%0.46SS..Hα-helixtrans-65.9-38.9-178-177.90000111.4R1800 H1806R1800-V1802 VanDerWaalsContact C-N 3.27Å; R1800-V1802 PolarHBondContact O-N 2.94Å; V1802-H1806 WeakPolarHBondContact O-CB 3.5Å; V1802-H1806 PolarHBondContact O-N 3.44Å
1803F67.7Low65.5Low129 Ų12980.3 Ų80.357%0.56643%0.427SS*.Hα-helixtrans-70.2-45.9178.1-68.8-74.8000112.2G1799 R1800 W1801 H1805 H1806 E1807G1799-F1803 WeakPolarHBondContact O-CD2 3.33Å; G1799-F1803 WeakPolarHBondContact O-CE2 3.09Å; R1800-F1803 PolarHBondContact O-N 3.18Å; W1801-F1803 PolarHBondContact O-N 3.34Å; F1803-H1805 VanDerWaalsContact C-N 3.27Å; F1803-H1805 PolarHBondContact O-N 3.44Å; F1803-H1806 PolarHBondContact O-N 3.08Å; F1803-E1807 PolarHBondContact O-N 3.32Å
1804D73.7Confident67Low7 Ų778.7 Ų78.74%0.03742%0.415CS..Hα-helixtrans-63.6-36.4176.1-73.6-4.7000110.6D1758 L1761 M1808D1758-D1804 HydrophobicContact CB-CB 4.4Å; L1761-D1804 HydrophobicContact CD2-CB 4.01Å; D1804-M1808 WeakPolarHBondContact O-CB 3.46Å; D1804-M1808 PolarHBondContact O-N 2.94Å
1805H76.6Confident68.9Low54 Ų5472 Ų7225%0.2538%0.38CS..Hα-helixtrans-68.3-44.1174.9-176.387.4000112.6W1801 F1803 E1807 M1808 V1809W1801-H1805 WeakPolarHBondContact O-CB 3.42Å; W1801-H1805 PolarHBondContact O-N 3.46Å; F1803-H1805 VanDerWaalsContact C-N 3.27Å; F1803-H1805 PolarHBondContact O-N 3.44Å; H1805-E1807 PolarHBondContact O-N 3.12Å; H1805-M1808 WeakPolarHBondContact O-CB 3.18Å; H1805-M1808 PolarHBondContact O-N 2.92Å; H1805-V1809 WeakPolarHBondContact O-CG2 3.3Å; H1805-V1809 PolarHBondContact O-N 3.46Å
1806H77.6Confident70.5Confident111 Ų11168 Ų6851%0.51434%0.338SS..Hα-helixtrans-60.9-44.3177.3-18053.5000111.4V1802 F1803 M1808 V1809 E1810V1802-H1806 WeakPolarHBondContact O-CB 3.5Å; V1802-H1806 PolarHBondContact O-N 3.44Å; F1803-H1806 PolarHBondContact O-N 3.08Å; H1806-M1808 VanDerWaalsContact C-N 3.34Å; H1806-M1808 PolarHBondContact O-N 3.32Å; H1806-V1809 WeakPolarHBondContact O-CB 3.33Å; H1806-V1809 PolarHBondContact O-N 3.1Å; H1806-V1809 VanDerWaalsContact O-N 3.17Å; H1806-E1810 IonicContact CE1-OE1 2.9Å; H1806-E1810 PolarHBondContact O-N 3.16Å
1807E78.9Confident72.4Confident45 Ų4559.5 Ų59.521%0.2130%0.301CS..Hα-helixtrans-65-37174.4-103.9-60.6-15800113W1752 L1761 M1765 F1803 H1805 V1809 E1810 H1811W1752-E1807 HydrophobicContact CH2-CB 4.18Å; W1752-E1807 HydrophobicContact CH2-CG 3.4Å; W1752-E1807 HydrophobicContact CZ2-CB 4.49Å; W1752-E1807 HydrophobicContact CZ2-CG 3.32Å; W1752-E1807 WeakPolarHBondContact CZ2-OE1 3.33Å; W1752-E1807 HydrophobicContact CZ3-CG 4.11Å; W1752-E1807 PolarHBondContact NE1-OE1 2.87Å; L1761-E1807 HydrophobicContact CD2-CB 4.46Å; M1765-E1807 HydrophobicContact CE-CB 4.19Å; M1765-E1807 HydrophobicContact CE-CG 4.31Å; F1803-E1807 PolarHBondContact O-N 3.32Å; H1805-E1807 PolarHBondContact O-N 3.12Å; E1807-V1809 PolarHBondContact O-N 3.4Å; E1807-E1810 PolarHBondContact O-N 2.73Å; E1807-E1810 WeakPolarHBondContact OE2-CB 3.43Å; E1807-H1811 WeakPolarHBondContact O-CB 3.43Å; E1807-H1811 PolarHBondContact O-CD2 2.98Å; E1807-H1811 PolarHBondContact O-N 3.09Å; E1807-H1811 IonicContact OE2-CD2 2.78Å; E1807-H1811 PolarHBondContact OE2-CD2 3.06Å; E1807-H1811 VanDerWaalsContact OE2-CD2 3.22Å; E1807-H1811 IonicContact OE2-NE2 3.44Å
1808M82.6Confident74.2Confident0 Ų052.5 Ų52.50%027%0.269CS..Hα-helixtrans-57.4-39.6174.2-169.8177.5-79.200111.4D1758 A1760 L1761 Y1780 T1783 I1784 D1804 H1805 H1806 F1812D1758-M1808 WeakPolarHBondContact OD2-CE 3.15Å; A1760-M1808 HydrophobicContact CB-CE 4.23Å; L1761-M1808 HydrophobicContact CB-CE 3.97Å; L1761-M1808 HydrophobicContact CD1-CB 3.84Å; L1761-M1808 HydrophobicContact CD1-CE 4.38Å; L1761-M1808 HydrophobicContact CD1-CG 4.26Å; Y1780-M1808 HydrophobicContact CD1-CG 3.48Å; Y1780-M1808 VanDerWaalsContact CD1-CG 3.48Å; Y1780-M1808 HydrophobicContact CD1-SD 4.28Å; Y1780-M1808 HydrophobicContact CE1-CG 4.05Å; Y1780-M1808 HydrophobicContact CG-CG 4.12Å; T1783-M1808 PolarHBondContact OG1-SD 2.77Å; I1784-M1808 HydrophobicContact CD1-CG 4.28Å; I1784-M1808 HydrophobicContact CG1-CG 4.24Å; I1784-M1808 HydrophobicContact CG1-SD 3.86Å; D1804-M1808 WeakPolarHBondContact O-CB 3.46Å; D1804-M1808 PolarHBondContact O-N 2.94Å; H1805-M1808 WeakPolarHBondContact O-CB 3.18Å; H1805-M1808 PolarHBondContact O-N 2.92Å; H1806-M1808 VanDerWaalsContact C-N 3.34Å; H1806-M1808 PolarHBondContact O-N 3.32Å; M1808-F1812 WeakPolarHBondContact O-CB 3.39Å; M1808-F1812 PolarHBondContact O-N 3.35Å
1809V80.8Confident75.5Confident33 Ų3347.9 Ų47.920%0.224%0.237CC..Hα-helixtrans-69.5-43.5177.71730000111.5I1784 H1805 H1806 E1807 F1812 Y1813I1784-V1809 HydrophobicContact CD1-CG2 3.96Å; H1805-V1809 WeakPolarHBondContact O-CG2 3.3Å; H1805-V1809 PolarHBondContact O-N 3.46Å; H1806-V1809 WeakPolarHBondContact O-CB 3.33Å; H1806-V1809 PolarHBondContact O-N 3.1Å; H1806-V1809 VanDerWaalsContact O-N 3.17Å; E1807-V1809 PolarHBondContact O-N 3.4Å; V1809-F1812 WeakPolarHBondContact O-CB 3.2Å; V1809-F1812 PolarHBondContact O-N 3.39Å; V1809-Y1813 HydrophobicContact CG1-CD2 3.91Å; V1809-Y1813 HydrophobicContact CG1-CE2 3.45Å; V1809-Y1813 VanDerWaalsContact CG1-CE2 3.45Å; V1809-Y1813 VanDerWaalsContact O-CD2 3.24Å; V1809-Y1813 WeakPolarHBondContact O-CD2 3.3Å; V1809-Y1813 PolarHBondContact O-N 3.34Å
1810E81.2Confident76.4Confident67 Ų6746.4 Ų46.431%0.31322%0.222SC..Hα-helixtrans-60.3-45.9175.1-71.9-65141.700112.1H1806 E1807 F1812 Y1813 C1814H1806-E1810 IonicContact CE1-OE1 2.9Å; H1806-E1810 PolarHBondContact O-N 3.16Å; E1807-E1810 PolarHBondContact O-N 2.73Å; E1807-E1810 WeakPolarHBondContact OE2-CB 3.43Å; E1810-F1812 VanDerWaalsContact C-N 3.32Å; E1810-F1812 PolarHBondContact O-N 3.36Å; E1810-Y1813 WeakPolarHBondContact O-CB 3.37Å; E1810-Y1813 PolarHBondContact O-N 3.14Å; E1810-C1814 PolarHBondContact O-N 3.28Å
1811H82.2Confident77.7Confident32 Ų3245.4 Ų45.415%0.14822%0.22CC..Hα-helixtrans-64.3-35.8175.1-88.6-88.3000112.7M1765 D1768 Y1780 E1807 C1814 A1815M1765-H1811 VanDerWaalsContact CE-CD2 3.45Å; M1765-H1811 WeakPolarHBondContact CE-CD2 3.49Å; M1765-H1811 VanDerWaalsContact CE-NE2 3.32Å; M1765-H1811 WeakPolarHBondContact CE-NE2 3.33Å; D1768-H1811 IonicContact OD2-CE1 3.24Å; D1768-H1811 IonicContact OD2-CG 3.75Å; D1768-H1811 IonicContact OD2-ND1 2.62Å; D1768-H1811 PolarHBondContact OD2-ND1 3.39Å; Y1780-H1811 HydrophobicContact CD2-CB 4.49Å; Y1780-H1811 HydrophobicContact CE2-CB 3.64Å; E1807-H1811 WeakPolarHBondContact O-CB 3.43Å; E1807-H1811 PolarHBondContact O-CD2 2.98Å; E1807-H1811 PolarHBondContact O-N 3.09Å; E1807-H1811 IonicContact OE2-CD2 2.78Å; E1807-H1811 PolarHBondContact OE2-CD2 3.06Å; E1807-H1811 VanDerWaalsContact OE2-CD2 3.22Å; E1807-H1811 IonicContact OE2-NE2 3.44Å; H1811-C1814 PolarHBondContact O-N 3.37Å; H1811-A1815 WeakPolarHBondContact O-CB 3.4Å; H1811-A1815 PolarHBondContact O-N 3.05Å
1812F85.3Confident78.5Confident10 Ų1039 Ų394%0.04420%0.195CC..Hα-helixtrans-62.4-44.3171.8170.8-89000112R1777 Y1780 L1781 I1784 M1808 V1809 E1810 A1815 C1816 L1828R1777-F1812 HydrophobicContact CG-CD2 3.99Å; R1777-F1812 HydrophobicContact CG-CE2 3.54Å; R1777-F1812 HydrophobicContact CG-CZ 4.34Å; Y1780-F1812 HydrophobicContact CD2-CB 4.11Å; Y1780-F1812 HydrophobicContact CG-CB 4.39Å; L1781-F1812 HydrophobicContact CB-CE2 3.99Å; L1781-F1812 HydrophobicContact CD1-CE2 4.22Å; L1781-F1812 HydrophobicContact CD1-CZ 4.39Å; I1784-F1812 HydrophobicContact CD1-CB 4.48Å; M1808-F1812 WeakPolarHBondContact O-CB 3.39Å; M1808-F1812 PolarHBondContact O-N 3.35Å; V1809-F1812 WeakPolarHBondContact O-CB 3.2Å; V1809-F1812 PolarHBondContact O-N 3.39Å; E1810-F1812 VanDerWaalsContact C-N 3.32Å; E1810-F1812 PolarHBondContact O-N 3.36Å; F1812-A1815 PolarHBondContact O-N 3.28Å; F1812-C1816 WeakPolarHBondContact CZ-SG 3.44Å; F1812-C1816 PolarHBondContact O-N 2.78Å; F1812-C1816 PolarHBondContact O-SG 3.03Å; F1812-L1828 HydrophobicContact CD1-CD1 4.33Å; F1812-L1828 HydrophobicContact CE1-CD1 3.33Å; F1812-L1828 HydrophobicContact CZ-CD1 3.84Å
1813Y84.2Confident79.1Confident25 Ų2542.2 Ų42.210%0.09820%0.202CC..Hα-helixtrans-59.1-50173.2-75.1-58.3000110.4V1809 E1810 A1815 C1816 E1817 V1825 L1828V1809-Y1813 HydrophobicContact CG1-CD2 3.91Å; V1809-Y1813 HydrophobicContact CG1-CE2 3.45Å; V1809-Y1813 VanDerWaalsContact CG1-CE2 3.45Å; V1809-Y1813 VanDerWaalsContact O-CD2 3.24Å; V1809-Y1813 WeakPolarHBondContact O-CD2 3.3Å; V1809-Y1813 PolarHBondContact O-N 3.34Å; E1810-Y1813 WeakPolarHBondContact O-CB 3.37Å; E1810-Y1813 PolarHBondContact O-N 3.14Å; Y1813-A1815 VanDerWaalsContact C-N 3.3Å; Y1813-A1815 PolarHBondContact O-N 3.25Å; Y1813-C1816 CarbonylContact O-C 3.47Å; Y1813-C1816 WeakPolarHBondContact O-CA 3.13Å; Y1813-C1816 WeakPolarHBondContact O-CB 3.22Å; Y1813-C1816 PolarHBondContact O-N 3.24Å; Y1813-E1817 WeakPolarHBondContact O-CG 3.45Å; Y1813-E1817 PolarHBondContact O-N 2.99Å; Y1813-V1825 HydrophobicContact CD1-CG1 4.02Å; Y1813-V1825 HydrophobicContact CD1-CG2 4.42Å; Y1813-V1825 HydrophobicContact CE1-CG1 4.26Å; Y1813-L1828 HydrophobicContact CE1-CB 4.06Å
1814C82.7Confident79.6Confident46 Ų4639.2 Ų39.231%0.31119%0.192SC..Hα-helixtrans-54.4-46177.7-167.70000111.9E1810 H1811 C1816 E1817 Q1818E1810-C1814 PolarHBondContact O-N 3.28Å; H1811-C1814 PolarHBondContact O-N 3.37Å; C1814-C1816 VanDerWaalsContact C-N 3.32Å; C1814-C1816 PolarHBondContact O-N 2.98Å; C1814-E1817 PolarHBondContact O-N 2.7Å; C1814-Q1818 WeakPolarHBondContact O-CB 3.34Å; C1814-Q1818 WeakPolarHBondContact O-CG 3.35Å; C1814-Q1818 PolarHBondContact O-N 3.11Å
1815A82.3Confident79.8Confident0 Ų038.9 Ų38.90%019%0.19CC..Hα-helixtrans-60.7-40.1176.500000112.2F1773 R1777 H1811 F1812 Y1813 L1819F1773-A1815 HydrophobicContact CB-CB 4.15Å; F1773-A1815 HydrophobicContact CD1-CB 4.15Å; R1777-A1815 HydrophobicContact CB-CB 4.17Å; H1811-A1815 WeakPolarHBondContact O-CB 3.4Å; H1811-A1815 PolarHBondContact O-N 3.05Å; F1812-A1815 PolarHBondContact O-N 3.28Å; Y1813-A1815 VanDerWaalsContact C-N 3.3Å; Y1813-A1815 PolarHBondContact O-N 3.25Å; A1815-L1819 WeakPolarHBondContact O-CB 3.32Å; A1815-L1819 WeakPolarHBondContact O-CD1 3.41Å; A1815-L1819 WeakPolarHBondContact O-CG 3.34Å; A1815-L1819 PolarHBondContact O-N 3.31Å
1816C81.3Confident79.9Confident0 Ų037.9 Ų37.90%019%0.186CC..Hα-helixtrans-67.8-40.2176.1-65.50000112.6F1812 Y1813 C1814 L1819 G1820 K1821 V1825F1812-C1816 WeakPolarHBondContact CZ-SG 3.44Å; F1812-C1816 PolarHBondContact O-N 2.78Å; F1812-C1816 PolarHBondContact O-SG 3.03Å; Y1813-C1816 CarbonylContact O-C 3.47Å; Y1813-C1816 WeakPolarHBondContact O-CA 3.13Å; Y1813-C1816 WeakPolarHBondContact O-CB 3.22Å; Y1813-C1816 PolarHBondContact O-N 3.24Å; C1814-C1816 VanDerWaalsContact C-N 3.32Å; C1814-C1816 PolarHBondContact O-N 2.98Å; C1816-L1819 PolarHBondContact O-N 2.98Å; C1816-G1820 PolarHBondContact O-N 3.38Å; C1816-G1820 VanDerWaalsContact O-N 3.11Å; C1816-K1821 PolarHBondContact O-N 3.39Å; C1816-V1825 HydrophobicContact CB-CG2 3.62Å
1817E80.7Confident80Confident24 Ų2436.5 Ų36.511%0.11219%0.185CC..Hα-helixtrans-63.6-46.3176.9-67.3-168147.900111.9Y1813 C1814 L1819 G1820 W1822 H1838 I1977Y1813-E1817 WeakPolarHBondContact O-CG 3.45Å; Y1813-E1817 PolarHBondContact O-N 2.99Å; C1814-E1817 PolarHBondContact O-N 2.7Å; E1817-L1819 PolarHBondContact O-N 2.86Å; E1817-G1820 PolarHBondContact O-N 3.38Å; E1817-W1822 HydrophobicContact CB-CH2 3.67Å; E1817-W1822 HydrophobicContact CB-CZ2 4.18Å; E1817-W1822 HydrophobicContact CB-CZ3 4.3Å; E1817-W1822 HydrophobicContact CG-CH2 3.55Å; E1817-W1822 HydrophobicContact CG-CZ2 4.47Å; E1817-W1822 HydrophobicContact CG-CZ3 3.7Å; E1817-H1838 IonicContact OE1-CD2 3.68Å; E1817-H1838 PolarHBondContact OE1-CD2 3.19Å; E1817-H1838 VanDerWaalsContact OE1-CD2 3.3Å; E1817-H1838 IonicContact OE1-NE2 2.73Å; E1817-I1977 HydrophobicContact CB-CD1 3.77Å; E1817-I1977 HydrophobicContact CB-CG1 4.19Å
1818Q77.6Confident79.7Confident25 Ų2536.6 Ų36.612%0.11719%0.187CC..Hα-helixtrans-64.7-29179.7-64.4-73.8-12.800112.2F1773 C1814 S1976 I1977 M2028F1773-Q1818 HydrophobicContact CD1-CB 4.27Å; F1773-Q1818 HydrophobicContact CD1-CG 4.32Å; F1773-Q1818 HydrophobicContact CD2-CB 3.68Å; F1773-Q1818 HydrophobicContact CD2-CG 4.25Å; F1773-Q1818 HydrophobicContact CE1-CB 4.39Å; F1773-Q1818 HydrophobicContact CE1-CG 4.01Å; F1773-Q1818 HydrophobicContact CE2-CB 3.82Å; F1773-Q1818 HydrophobicContact CE2-CG 3.93Å; F1773-Q1818 HydrophobicContact CG-CB 3.92Å; F1773-Q1818 HydrophobicContact CG-CG 4.43Å; F1773-Q1818 HydrophobicContact CZ-CB 4.18Å; F1773-Q1818 HydrophobicContact CZ-CG 3.81Å; C1814-Q1818 WeakPolarHBondContact O-CB 3.34Å; C1814-Q1818 WeakPolarHBondContact O-CG 3.35Å; C1814-Q1818 PolarHBondContact O-N 3.11Å; Q1818-S1976 PolarHBondContact O-OG 3.38Å; Q1818-S1976 PolarHBondContact OE1-OG 3.28Å; Q1818-I1977 HydrophobicContact CG-CD1 4.2Å; Q1818-I1977 HydrophobicContact CG-CG1 4.47Å; Q1818-I1977 VanDerWaalsContact NE2-CD1 3.29Å; Q1818-M2028 VanDerWaalsContact O-SD 3.36Å
1819L75.8Confident79.3Confident24 Ų2436.7 Ų36.713%0.12619%0.187CC..THydrogen-bonded Turntrans-85.8-8.4174.5-66.6172.1000113.7F1773 E1774 A1815 C1816 E1817 K1821F1773-L1819 HydrophobicContact CB-CD1 4.2Å; F1773-L1819 HydrophobicContact CB-CD2 4.14Å; F1773-L1819 HydrophobicContact CB-CG 3.92Å; E1774-L1819 HydrophobicContact CB-CD1 4.33Å; E1774-L1819 HydrophobicContact CB-CD2 4.41Å; A1815-L1819 WeakPolarHBondContact O-CB 3.32Å; A1815-L1819 WeakPolarHBondContact O-CD1 3.41Å; A1815-L1819 WeakPolarHBondContact O-CG 3.34Å; A1815-L1819 PolarHBondContact O-N 3.31Å; C1816-L1819 PolarHBondContact O-N 2.98Å; E1817-L1819 PolarHBondContact O-N 2.86Å; L1819-K1821 HydrophobicContact CB-CG 4.35Å
1820G74.4Confident78.9Confident18 Ų1838.2 Ų38.219%0.18620%0.197CC..THydrogen-bonded Turntrans72.420.4-177.900000115.2C1816 E1817 W1822C1816-G1820 PolarHBondContact O-N 3.38Å; C1816-G1820 VanDerWaalsContact O-N 3.11Å; E1817-G1820 PolarHBondContact O-N 3.38Å; G1820-W1822 VanDerWaalsContact C-N 3.29Å; G1820-W1822 PolarHBondContact O-N 3.07Å; G1820-W1822 VanDerWaalsContact O-N 3.09Å
1821K80.4Confident78.4Confident61 Ų6142.1 Ų42.127%0.26521%0.209SC..  trans-8661.7180-67.3-166.6176.7-172.40112.3R1777 C1816 L1819 K1823 D1824 V1825R1777-K1821 VanDerWaalsContact CZ-NZ 3.34Å; C1816-K1821 PolarHBondContact O-N 3.39Å; L1819-K1821 HydrophobicContact CB-CG 4.35Å; K1821-K1823 PolarHBondContact O-N 2.88Å; K1821-K1823 VanDerWaalsContact O-N 3.17Å; K1821-D1824 PolarHBondContact O-N 3.02Å; K1821-V1825 PolarHBondContact O-N 3.17Å
1822W77.8Confident77.2Confident20 Ų2046.2 Ų46.28%0.07624%0.238CC..Hα-helixtrans-62.8-24.5-174.1-60.5101.3000114.7E1817 G1820 H1826 E1841 R1845 I1846E1817-W1822 HydrophobicContact CB-CH2 3.67Å; E1817-W1822 HydrophobicContact CB-CZ2 4.18Å; E1817-W1822 HydrophobicContact CB-CZ3 4.3Å; E1817-W1822 HydrophobicContact CG-CH2 3.55Å; E1817-W1822 HydrophobicContact CG-CZ2 4.47Å; E1817-W1822 HydrophobicContact CG-CZ3 3.7Å; G1820-W1822 VanDerWaalsContact C-N 3.29Å; G1820-W1822 PolarHBondContact O-N 3.07Å; G1820-W1822 VanDerWaalsContact O-N 3.09Å; W1822-H1826 WeakPolarHBondContact O-CB 3.23Å; W1822-H1826 PolarHBondContact O-N 3.34Å; W1822-E1841 HydrophobicContact CZ3-CG 4.07Å; W1822-R1845 VanDerWaalsContact CE2-NH1 3.27Å; W1822-R1845 HydrophobicContact CG-CB 4.23Å; W1822-I1846 HydrophobicContact CB-CD1 4.29Å; W1822-I1846 HydrophobicContact CB-CG1 4.18Å
1823K78.3Confident76Confident155 Ų15551.7 Ų51.767%0.67428%0.275SS*.Hα-helixtrans-64.5-43176-67.7-177.7-178.71760111.7K1821 V1825 H1826 T1827 I1846K1821-K1823 PolarHBondContact O-N 2.88Å; K1821-K1823 VanDerWaalsContact O-N 3.17Å; K1823-V1825 VanDerWaalsContact C-N 3.35Å; K1823-H1826 PolarHBondContact O-N 3.13Å; K1823-T1827 WeakPolarHBondContact O-CG2 3.26Å; K1823-T1827 PolarHBondContact O-N 2.99Å; K1823-T1827 PolarHBondContact O-OG1 3.49Å; K1823-I1846 HydrophobicContact CG-CD1 4.16Å
1824D76.6Confident75Confident66 Ų6656.8 Ų56.835%0.35330%0.3SS..Hα-helixtrans-65.9-42.8-179.8-60.7-17.8000109.8K1821 H1826 T1827 L1828K1821-D1824 PolarHBondContact O-N 3.02Å; D1824-H1826 PolarHBondContact O-N 3.37Å; D1824-T1827 PolarHBondContact O-N 2.73Å; D1824-T1827 PolarHBondContact O-OG1 3.04Å; D1824-L1828 PolarHBondContact O-N 3.26Å
1825V78.8Confident74.5Confident0 Ų056.1 Ų56.10%029%0.293CS..Hα-helixtrans-57.2-49.3173.3179.90000110.9Y1813 C1816 K1821 K1823 T1827 L1828 S1829 H1838Y1813-V1825 HydrophobicContact CD1-CG1 4.02Å; Y1813-V1825 HydrophobicContact CD1-CG2 4.42Å; Y1813-V1825 HydrophobicContact CE1-CG1 4.26Å; C1816-V1825 HydrophobicContact CB-CG2 3.62Å; K1821-V1825 PolarHBondContact O-N 3.17Å; K1823-V1825 VanDerWaalsContact C-N 3.35Å; V1825-T1827 PolarHBondContact O-N 2.69Å; V1825-L1828 PolarHBondContact O-N 2.83Å; V1825-S1829 WeakPolarHBondContact O-CB 3.48Å; V1825-S1829 PolarHBondContact O-N 3.09Å; V1825-S1829 PolarHBondContact O-OG 3.32Å; V1825-H1838 HydrophobicContact CG1-CB 4.16Å
1826H79Confident74Confident33 Ų3357.7 Ų57.715%0.15330%0.303CS..Hα-helixtrans-59.8-44.3179.9-168.865.5000112.7W1822 K1823 D1824 L1828 S1829 V1830 S1842 S1843 I1846W1822-H1826 WeakPolarHBondContact O-CB 3.23Å; W1822-H1826 PolarHBondContact O-N 3.34Å; K1823-H1826 PolarHBondContact O-N 3.13Å; D1824-H1826 PolarHBondContact O-N 3.37Å; H1826-L1828 PolarHBondContact O-N 3.02Å; H1826-S1829 WeakPolarHBondContact CA-OG 3.26Å; H1826-S1829 PolarHBondContact O-OG 3.42Å; H1826-V1830 VanDerWaalsContact O-CG2 3.28Å; H1826-V1830 WeakPolarHBondContact O-CG2 3.39Å; H1826-V1830 PolarHBondContact O-N 3.32Å; H1826-S1842 PolarHBondContact ND1-OG 3.25Å; H1826-S1842 VanDerWaalsContact ND1-OG 3.14Å; H1826-S1843 PolarHBondContact CE1-OG 3.07Å; H1826-S1843 PolarHBondContact ND1-OG 2.85Å; H1826-I1846 HydrophobicContact CB-CD1 3.92Å
1827T79.8Confident73.7Confident82 Ų8258 Ų5850%0.50330%0.304SS..Hα-helixtrans-65.2-26.2-17957.30000113.5K1823 D1824 V1825K1823-T1827 WeakPolarHBondContact O-CG2 3.26Å; K1823-T1827 PolarHBondContact O-N 2.99Å; K1823-T1827 PolarHBondContact O-OG1 3.49Å; D1824-T1827 PolarHBondContact O-N 2.73Å; D1824-T1827 PolarHBondContact O-OG1 3.04Å; V1825-T1827 PolarHBondContact O-N 2.69Å
1828L72.4Confident73.5Confident48 Ų4858.3 Ų58.325%0.25131%0.306SS..Hα-helixtrans-92.3-38.3-180-71.2165.6000111.8F1812 Y1813 D1824 V1825 H1826 V1830 R1831F1812-L1828 HydrophobicContact CD1-CD1 4.33Å; F1812-L1828 HydrophobicContact CE1-CD1 3.33Å; F1812-L1828 HydrophobicContact CZ-CD1 3.84Å; Y1813-L1828 HydrophobicContact CE1-CB 4.06Å; D1824-L1828 PolarHBondContact O-N 3.26Å; V1825-L1828 PolarHBondContact O-N 2.83Å; H1826-L1828 PolarHBondContact O-N 3.02Å; L1828-V1830 PolarHBondContact O-N 3.16Å; L1828-R1831 WeakPolarHBondContact O-CB 3.45Å; L1828-R1831 PolarHBondContact O-N 2.9Å
1829S73.1Confident73.5Confident1 Ų157.2 Ų57.21%0.00730%0.301CS..Hα-helixtrans-66.3-23.5-178.963.10000113.8V1825 H1826 R1831 D1835 A1839V1825-S1829 WeakPolarHBondContact O-CB 3.48Å; V1825-S1829 PolarHBondContact O-N 3.09Å; V1825-S1829 PolarHBondContact O-OG 3.32Å; H1826-S1829 WeakPolarHBondContact CA-OG 3.26Å; H1826-S1829 PolarHBondContact O-OG 3.42Å; S1829-R1831 VanDerWaalsContact C-N 3.33Å; S1829-D1835 PolarHBondContact O-N 2.89Å; S1829-D1835 VanDerWaalsContact O-N 3.16Å; S1829-A1839 WeakPolarHBondContact OG-CA 3.35Å; S1829-A1839 PolarHBondContact OG-N 3.02Å
1830V72.9Confident73.5Confident65 Ų6556.1 Ų56.139%0.39430%0.295SS..THydrogen-bonded Turntrans-84.1-8.2177.1-1800000111.7H1826 L1828H1826-V1830 VanDerWaalsContact O-CG2 3.28Å; H1826-V1830 WeakPolarHBondContact O-CG2 3.39Å; H1826-V1830 PolarHBondContact O-N 3.32Å; L1828-V1830 PolarHBondContact O-N 3.16Å
1831R71.2Confident73.5Confident149 Ų14955.6 Ų55.656%0.56229%0.288SS*.SBendtrans-84.5145.6174.7-65.6-178.1-179.1-177.7-2.1110.5L1828 S1829 P1833 E1834L1828-R1831 WeakPolarHBondContact O-CB 3.45Å; L1828-R1831 PolarHBondContact O-N 2.9Å; S1829-R1831 VanDerWaalsContact C-N 3.33Å; R1831-P1833 CarbonylContact O-C 3.6Å; R1831-P1833 VanDerWaalsContact O-O 3.04Å; R1831-E1834 PolarHBondContact O-N 3.26Å
1832P57.5Low73.5Confident119 Ų11952.7 Ų52.777%0.77328%0.275SS*.SBendtrans-70.2136.217925.2-31.8000112.4
1833P58.7Low73.4Confident125 Ų12551.7 Ų51.781%0.81227%0.272SS*.SBendcis-71.2126.6-0.729.1-33.1000112.2R1831 D1835R1831-P1833 CarbonylContact O-C 3.6Å; R1831-P1833 VanDerWaalsContact O-O 3.04Å; P1833-D1835 PolarHBondContact O-N 3.41Å
1834E63.3Low73.3Confident132 Ų13245.1 Ų45.162%0.61724%0.243SC*.PPolyproline II helixtrans-63127-179-70.2-177.7178.900109.8R1831 P1836R1831-E1834 PolarHBondContact O-N 3.26Å; E1834-P1836 VanDerWaalsContact O-CD 3.22Å; E1834-P1836 WeakPolarHBondContact O-CD 3.31Å
1835D72Confident73.1Confident32 Ų3242.4 Ų42.417%0.17123%0.227CC..  trans-100.196167.7-172.4-18.5000109.2S1829 P1833 M1837 H1838 A1839S1829-D1835 PolarHBondContact O-N 2.89Å; S1829-D1835 VanDerWaalsContact O-N 3.16Å; P1833-D1835 PolarHBondContact O-N 3.41Å; D1835-M1837 PolarHBondContact O-N 3.24Å; D1835-M1837 PolarHBondContact OD1-N 3.18Å; D1835-M1837 VanDerWaalsContact OD1-N 3.1Å; D1835-H1838 PolarHBondContact OD1-N 2.92Å; D1835-H1838 IonicContact OD1-ND1 3.84Å; D1835-H1838 IonicContact OD2-CE1 3.97Å; D1835-H1838 IonicContact OD2-CG 3.4Å; D1835-H1838 IonicContact OD2-ND1 3.37Å; D1835-H1838 PolarHBondContact OD2-ND1 3.36Å; D1835-A1839 WeakPolarHBondContact O-CB 3.44Å; D1835-A1839 PolarHBondContact O-N 3.09Å
1836P72.2Confident72.9Confident32 Ų3245.3 Ų45.321%0.20824%0.242CC..Hα-helixtrans-67.2-24-172.928.8-36.4000112.5E1834 L1840 I1859 W1867E1834-P1836 VanDerWaalsContact O-CD 3.22Å; E1834-P1836 WeakPolarHBondContact O-CD 3.31Å; P1836-L1840 VanDerWaalsContact O-CB 3.28Å; P1836-L1840 WeakPolarHBondContact O-CB 3.32Å; P1836-L1840 PolarHBondContact O-N 3.31Å; P1836-I1859 HydrophobicContact CB-CD1 4.3Å; P1836-I1859 HydrophobicContact CB-CG1 3.88Å; P1836-I1859 HydrophobicContact CG-CG1 4.28Å; P1836-W1867 HydrophobicContact CG-CH2 4.23Å; P1836-W1867 HydrophobicContact CG-CZ3 3.89Å
1837M75.6Confident72.5Confident6 Ų646.9 Ų46.93%0.0325%0.252CS..Hα-helixtrans-76.3-48.2-178.9178.954.374.700111.6D1835 A1839 L1840 E1841 W1867 K1870D1835-M1837 PolarHBondContact O-N 3.24Å; D1835-M1837 PolarHBondContact OD1-N 3.18Å; D1835-M1837 VanDerWaalsContact OD1-N 3.1Å; M1837-A1839 VanDerWaalsContact C-N 3.26Å; M1837-A1839 PolarHBondContact O-N 3.39Å; M1837-L1840 WeakPolarHBondContact O-CB 3.39Å; M1837-L1840 PolarHBondContact O-N 3.13Å; M1837-L1840 HydrophobicContact SD-CD2 4.47Å; M1837-E1841 WeakPolarHBondContact O-CB 3.34Å; M1837-E1841 PolarHBondContact O-N 3.04Å; M1837-W1867 HydrophobicContact CB-CD2 3.84Å; M1837-W1867 HydrophobicContact CB-CE3 3.98Å; M1837-W1867 HydrophobicContact CB-CH2 3.86Å; M1837-W1867 HydrophobicContact CB-CZ2 3.67Å; M1837-W1867 HydrophobicContact CB-CZ3 4.02Å; M1837-W1867 HydrophobicContact CE-CB 3.23Å; M1837-W1867 HydrophobicContact CE-CD2 3.52Å; M1837-W1867 HydrophobicContact CE-CE3 3.95Å; M1837-W1867 HydrophobicContact CE-CG 3.17Å; M1837-W1867 HydrophobicContact CG-CD2 4.12Å; M1837-W1867 HydrophobicContact CG-CG 4.36Å; M1837-W1867 HydrophobicContact CG-CZ2 4.42Å; M1837-K1870 HydrophobicContact SD-CD 4.3Å
1838H76.1Confident72.1Confident32 Ų3245.8 Ų45.815%0.14824%0.243CC..Hα-helixtrans-66.5-31.6174.4-72103.9000111.5E1817 V1825 D1835 E1841 S1842E1817-H1838 IonicContact OE1-CD2 3.68Å; E1817-H1838 PolarHBondContact OE1-CD2 3.19Å; E1817-H1838 VanDerWaalsContact OE1-CD2 3.3Å; E1817-H1838 IonicContact OE1-NE2 2.73Å; V1825-H1838 HydrophobicContact CG1-CB 4.16Å; D1835-H1838 PolarHBondContact OD1-N 2.92Å; D1835-H1838 IonicContact OD1-ND1 3.84Å; D1835-H1838 IonicContact OD2-CE1 3.97Å; D1835-H1838 IonicContact OD2-CG 3.4Å; D1835-H1838 IonicContact OD2-ND1 3.37Å; D1835-H1838 PolarHBondContact OD2-ND1 3.36Å; H1838-E1841 PolarHBondContact O-N 3.2Å; H1838-S1842 WeakPolarHBondContact O-CB 3.28Å; H1838-S1842 PolarHBondContact O-N 3.23Å; H1838-S1842 PolarHBondContact O-OG 3.4Å
1839A77.1Confident71.7Confident2 Ų245.4 Ų45.42%0.01724%0.241CC..Hα-helixtrans-63.5-43.9170.600000111.9S1829 D1835 M1837 S1842 S1843S1829-A1839 WeakPolarHBondContact OG-CA 3.35Å; S1829-A1839 PolarHBondContact OG-N 3.02Å; D1835-A1839 WeakPolarHBondContact O-CB 3.44Å; D1835-A1839 PolarHBondContact O-N 3.09Å; M1837-A1839 VanDerWaalsContact C-N 3.26Å; M1837-A1839 PolarHBondContact O-N 3.39Å; A1839-S1842 PolarHBondContact O-OG 2.89Å; A1839-S1843 VanDerWaalsContact O-CB 3.24Å; A1839-S1843 WeakPolarHBondContact O-CB 3.48Å; A1839-S1843 PolarHBondContact O-N 3.12Å; A1839-S1843 PolarHBondContact O-OG 3.21Å
1840L75.9Confident71.4Confident0 Ų053 Ų530%028%0.276CS..Hα-helixtrans-62.8-49.1174.7-175.174.9000111.3P1836 M1837 S1842 S1843 W1844 V1852 H1855 F1856 I1859 Y1874P1836-L1840 VanDerWaalsContact O-CB 3.28Å; P1836-L1840 WeakPolarHBondContact O-CB 3.32Å; P1836-L1840 PolarHBondContact O-N 3.31Å; M1837-L1840 WeakPolarHBondContact O-CB 3.39Å; M1837-L1840 PolarHBondContact O-N 3.13Å; M1837-L1840 HydrophobicContact SD-CD2 4.47Å; L1840-S1842 VanDerWaalsContact C-N 3.33Å; L1840-S1842 PolarHBondContact O-N 3.16Å; L1840-S1843 PolarHBondContact O-N 3.12Å; L1840-W1844 VanDerWaalsContact O-CD1 3.26Å; L1840-W1844 PolarHBondContact O-N 2.88Å; L1840-V1852 HydrophobicContact CD1-CG1 3.86Å; L1840-H1855 HydrophobicContact CD1-CB 4.23Å; L1840-F1856 HydrophobicContact CD1-CD1 4.45Å; L1840-F1856 HydrophobicContact CD1-CD2 3.46Å; L1840-F1856 VanDerWaalsContact CD1-CD2 3.46Å; L1840-F1856 HydrophobicContact CD1-CE2 3.55Å; L1840-F1856 HydrophobicContact CD1-CG 3.96Å; L1840-F1856 HydrophobicContact CD1-CZ 4.18Å; L1840-F1856 HydrophobicContact CD2-CD1 4.34Å; L1840-F1856 HydrophobicContact CD2-CE1 4.03Å; L1840-F1856 HydrophobicContact CD2-CE2 4.25Å; L1840-F1856 HydrophobicContact CD2-CZ 4.03Å; L1840-F1856 HydrophobicContact CG-CE2 4.38Å; L1840-I1859 HydrophobicContact CB-CD1 4.05Å; L1840-I1859 HydrophobicContact CD2-CD1 3.79Å; L1840-I1859 HydrophobicContact CG-CD1 4.38Å; L1840-Y1874 HydrophobicContact CD2-CD2 3.78Å; L1840-Y1874 HydrophobicContact CD2-CE2 4.3Å; L1840-Y1874 HydrophobicContact CG-CD2 4.48Å
1841E75.9Confident71.1Confident7 Ų752.6 Ų52.63%0.03327%0.272CS..Hα-helixtrans-64.1-36.5-175.9-174.6154.8-172.500112.7W1822 M1837 H1838 W1844 R1845 K1870W1822-E1841 HydrophobicContact CZ3-CG 4.07Å; M1837-E1841 WeakPolarHBondContact O-CB 3.34Å; M1837-E1841 PolarHBondContact O-N 3.04Å; H1838-E1841 PolarHBondContact O-N 3.2Å; E1841-W1844 VanDerWaalsContact O-CD1 3.23Å; E1841-W1844 PolarHBondContact O-NE1 3.13Å; E1841-W1844 VanDerWaalsContact O-NE1 3.11Å; E1841-R1845 WeakPolarHBondContact O-CD 3.49Å; E1841-R1845 WeakPolarHBondContact O-CG 3.39Å; E1841-R1845 IonicContact OE1-CZ 3.54Å; E1841-R1845 IonicContact OE1-NE 3.25Å; E1841-R1845 IonicContact OE1-NH2 3.57Å; E1841-R1845 PolarHBondContact OE1-NH2 2.89Å; E1841-K1870 IonicContact OE1-NZ 2.75Å; E1841-K1870 IonicContact OE2-NZ 3.05Å; E1841-K1870 PolarHBondContact OE2-NZ 3.48Å
1842S79.3Confident70.8Confident0 Ų045.6 Ų45.60%025%0.246CC..Hα-helixtrans-72.8-39.7172.857.80000112.5H1826 H1838 A1839 L1840 W1844 R1845 I1846H1826-S1842 PolarHBondContact ND1-OG 3.25Å; H1826-S1842 VanDerWaalsContact ND1-OG 3.14Å; H1838-S1842 WeakPolarHBondContact O-CB 3.28Å; H1838-S1842 PolarHBondContact O-N 3.23Å; H1838-S1842 PolarHBondContact O-OG 3.4Å; A1839-S1842 PolarHBondContact O-OG 2.89Å; L1840-S1842 VanDerWaalsContact C-N 3.33Å; L1840-S1842 PolarHBondContact O-N 3.16Å; S1842-W1844 PolarHBondContact O-N 3.24Å; S1842-R1845 PolarHBondContact O-N 3.13Å; S1842-I1846 VanDerWaalsContact O-CG1 3.31Å; S1842-I1846 WeakPolarHBondContact O-CG1 3.48Å; S1842-I1846 PolarHBondContact O-N 2.9Å
1843S76Confident71.3Confident0 Ų044.7 Ų44.70%023%0.231CC..Hα-helixtrans-65.4-40.4-175.1-61.60000113.4H1826 A1839 L1840 R1845 D1847 N1848H1826-S1843 PolarHBondContact CE1-OG 3.07Å; H1826-S1843 PolarHBondContact ND1-OG 2.85Å; A1839-S1843 VanDerWaalsContact O-CB 3.24Å; A1839-S1843 WeakPolarHBondContact O-CB 3.48Å; A1839-S1843 PolarHBondContact O-N 3.12Å; A1839-S1843 PolarHBondContact O-OG 3.21Å; L1840-S1843 PolarHBondContact O-N 3.12Å; S1843-R1845 PolarHBondContact O-N 2.9Å; S1843-D1847 PolarHBondContact O-N 2.82Å; S1843-D1847 VanDerWaalsContact O-N 3.11Å; S1843-N1848 PolarHBondContact O-N 3.32Å
1844W76Confident71.8Confident17 Ų1741.3 Ų41.36%0.06421%0.21CC..Hα-helixtrans-71.5-28177.776.1-98.9000113.1L1840 E1841 S1842 V1852 Y1874 T1984 W1985L1840-W1844 VanDerWaalsContact O-CD1 3.26Å; L1840-W1844 PolarHBondContact O-N 2.88Å; E1841-W1844 VanDerWaalsContact O-CD1 3.23Å; E1841-W1844 PolarHBondContact O-NE1 3.13Å; E1841-W1844 VanDerWaalsContact O-NE1 3.11Å; S1842-W1844 PolarHBondContact O-N 3.24Å; W1844-V1852 HydrophobicContact CB-CG2 4.39Å; W1844-Y1874 HydrophobicContact CD2-CE1 4.42Å; W1844-Y1874 AromaticContact CE2-CE1 3.75Å; W1844-Y1874 HydrophobicContact CZ2-CE1 4.07Å; W1844-Y1874 AromaticContact NE1-CE1 3.52Å; W1844-Y1874 AromaticContact NE1-CZ 3.41Å; W1844-Y1874 PolarHBondContact NE1-OH 3.28Å; W1844-T1984 HydrophobicContact CZ3-CG2 4.12Å; W1844-W1985 HydrophobicContact CH2-CE3 4.31Å; W1844-W1985 HydrophobicContact CZ3-CE3 4.09Å
1845R73.3Confident72.1Confident9 Ų936.2 Ų36.23%0.03419%0.186CC..Hα-helixtrans-76.5-36.3177.4-64.9175.7-170.6-125.58.4112.1W1822 E1841 S1842 S1843 D1847 S1981 R1988W1822-R1845 VanDerWaalsContact CE2-NH1 3.27Å; W1822-R1845 HydrophobicContact CG-CB 4.23Å; E1841-R1845 WeakPolarHBondContact O-CD 3.49Å; E1841-R1845 WeakPolarHBondContact O-CG 3.39Å; E1841-R1845 IonicContact OE1-CZ 3.54Å; E1841-R1845 IonicContact OE1-NE 3.25Å; E1841-R1845 IonicContact OE1-NH2 3.57Å; E1841-R1845 PolarHBondContact OE1-NH2 2.89Å; S1842-R1845 PolarHBondContact O-N 3.13Å; S1843-R1845 PolarHBondContact O-N 2.9Å; R1845-D1847 VanDerWaalsContact C-N 3.31Å; R1845-S1981 PolarHBondContact NH1-OG 3.46Å; R1845-S1981 PolarHBondContact NH2-OG 3.49Å; R1845-R1988 PolarHBondContact O-NH2 2.96Å
1846I74.4Confident71.9Confident60 Ų6035.7 Ų35.731%0.30818%0.183SC..Hα-helixtrans-78.1-15.7176.8-61.4167.3000112W1822 K1823 H1826 S1842W1822-I1846 HydrophobicContact CB-CD1 4.29Å; W1822-I1846 HydrophobicContact CB-CG1 4.18Å; K1823-I1846 HydrophobicContact CG-CD1 4.16Å; H1826-I1846 HydrophobicContact CB-CD1 3.92Å; S1842-I1846 VanDerWaalsContact O-CG1 3.31Å; S1842-I1846 WeakPolarHBondContact O-CG1 3.48Å; S1842-I1846 PolarHBondContact O-N 2.9Å
1847D69.9Low71.7Confident67 Ų6740.3 Ų40.336%0.35820%0.202SC..THydrogen-bonded Turntrans73.833.4-178.5-148.21.2000113.9S1843 R1845 L1849 R1988S1843-D1847 PolarHBondContact O-N 2.82Å; S1843-D1847 VanDerWaalsContact O-N 3.11Å; R1845-D1847 VanDerWaalsContact C-N 3.31Å; D1847-L1849 PolarHBondContact O-N 3.1Å; D1847-R1988 IonicContact OD2-CZ 3.28Å; D1847-R1988 IonicContact OD2-NE 4Å; D1847-R1988 IonicContact OD2-NH1 3.49Å; D1847-R1988 PolarHBondContact OD2-NH1 3.15Å
1848N72.3Confident71.4Confident59 Ų5943.3 Ų43.332%0.31622%0.22SC..  trans-97.673.7176.3-166.91.1000111S1843 E1850 N1851 V1852S1843-N1848 PolarHBondContact O-N 3.32Å; N1848-E1850 VanDerWaalsContact C-N 3.32Å; N1848-E1850 PolarHBondContact O-N 3.08Å; N1848-N1851 PolarHBondContact ND2-ND2 3.2Å; N1848-N1851 VanDerWaalsContact ND2-ND2 3.17Å; N1848-N1851 PolarHBondContact O-N 2.75Å; N1848-V1852 WeakPolarHBondContact O-CG2 3.49Å; N1848-V1852 PolarHBondContact O-N 3.41Å
1849L63.7Low70.9Confident40 Ų4042 Ų4221%0.20921%0.214CC..Hα-helixtrans-69.4-20.9-166.7-67.6162.4000115D1847 V1852 Q1853 L1878D1847-L1849 PolarHBondContact O-N 3.1Å; L1849-V1852 PolarHBondContact O-N 3.14Å; L1849-Q1853 PolarHBondContact O-N 3.09Å; L1849-L1878 HydrophobicContact CD2-CD2 3.82Å
1850E66.4Low70.2Confident161 Ų16147.7 Ų47.775%0.75224%0.241SC*.Hα-helixtrans-67.2-46.4176-67.4179.3178.700110.9N1848 V1852 Q1853N1848-E1850 VanDerWaalsContact C-N 3.32Å; N1848-E1850 PolarHBondContact O-N 3.08Å; E1850-V1852 VanDerWaalsContact C-N 3.31Å; E1850-V1852 PolarHBondContact O-N 3.27Å; E1850-Q1853 PolarHBondContact O-N 3.39Å
1851N66.9Low69.7Low56 Ų5654 Ų5430%0.29927%0.274SS..Hα-helixtrans-66.5-34.9175.6-71.50.7000111.5N1848 Q1853 S1854 H1855N1848-N1851 PolarHBondContact ND2-ND2 3.2Å; N1848-N1851 VanDerWaalsContact ND2-ND2 3.17Å; N1848-N1851 PolarHBondContact O-N 2.75Å; N1851-Q1853 PolarHBondContact O-N 3.03Å; N1851-S1854 PolarHBondContact O-N 3.01Å; N1851-S1854 PolarHBondContact O-OG 3.25Å; N1851-H1855 WeakPolarHBondContact O-CB 3.28Å; N1851-H1855 PolarHBondContact O-CD2 3.45Å; N1851-H1855 PolarHBondContact O-N 3Å
1852V65.2Low69Low2 Ų260.5 Ų60.51%0.01231%0.309CS..Hα-helixtrans-56.8-47178.2173.20000111.4L1840 W1844 N1848 L1849 E1850 H1855 F1856 L1878L1840-V1852 HydrophobicContact CD1-CG1 3.86Å; W1844-V1852 HydrophobicContact CB-CG2 4.39Å; N1848-V1852 WeakPolarHBondContact O-CG2 3.49Å; N1848-V1852 PolarHBondContact O-N 3.41Å; L1849-V1852 PolarHBondContact O-N 3.14Å; E1850-V1852 VanDerWaalsContact C-N 3.31Å; E1850-V1852 PolarHBondContact O-N 3.27Å; V1852-H1855 PolarHBondContact O-N 3.01Å; V1852-F1856 HydrophobicContact CG1-CD2 3.57Å; V1852-F1856 HydrophobicContact CG1-CE2 3.52Å; V1852-F1856 WeakPolarHBondContact O-CB 3.28Å; V1852-F1856 WeakPolarHBondContact O-CD2 3.44Å; V1852-F1856 PolarHBondContact O-N 2.85Å; V1852-L1878 HydrophobicContact CG1-CD1 3.92Å; V1852-L1878 HydrophobicContact CG1-CD2 4.12Å; V1852-L1878 HydrophobicContact CG1-CG 4.48Å
1853Q67.1Low68.1Low100 Ų10062.4 Ų62.447%0.46732%0.322SS..Hα-helixtrans-63-43.6178.9-73.2-176.9-18.400112.2L1849 E1850 N1851 H1855 F1856 E1857L1849-Q1853 PolarHBondContact O-N 3.09Å; E1850-Q1853 PolarHBondContact O-N 3.39Å; N1851-Q1853 PolarHBondContact O-N 3.03Å; Q1853-H1855 PolarHBondContact O-N 3.36Å; Q1853-F1856 WeakPolarHBondContact O-CB 3.48Å; Q1853-F1856 PolarHBondContact O-N 3.03Å; Q1853-E1857 PolarHBondContact O-N 2.92Å; Q1853-E1857 VanDerWaalsContact O-N 3.08Å
1854S69.6Low67.5Low53 Ų5365 Ų6537%0.37134%0.339SS..Hα-helixtrans-64.6-38.1177.671.50000113.5N1851 T1858N1851-S1854 PolarHBondContact O-N 3.01Å; N1851-S1854 PolarHBondContact O-OG 3.25Å; S1854-T1858 PolarHBondContact O-N 3.35Å; S1854-T1858 PolarHBondContact O-OG1 3.22Å; S1854-T1858 VanDerWaalsContact O-OG1 3.09Å
1855H69.5Low66.8Low25 Ų2572.3 Ų72.312%0.11637%0.371CS..Hα-helixtrans-72.7-29.3175.5-65.5-49.5000111.9L1840 N1851 V1852 Q1853 T1858 I1859L1840-H1855 HydrophobicContact CD1-CB 4.23Å; N1851-H1855 WeakPolarHBondContact O-CB 3.28Å; N1851-H1855 PolarHBondContact O-CD2 3.45Å; N1851-H1855 PolarHBondContact O-N 3Å; V1852-H1855 PolarHBondContact O-N 3.01Å; Q1853-H1855 PolarHBondContact O-N 3.36Å; H1855-T1858 VanDerWaalsContact CA-OG1 3.26Å; H1855-T1858 WeakPolarHBondContact CA-OG1 3.48Å; H1855-T1858 PolarHBondContact O-OG1 3.42Å; H1855-I1859 WeakPolarHBondContact O-CD1 3.15Å; H1855-I1859 WeakPolarHBondContact O-CG1 3.39Å; H1855-I1859 PolarHBondContact O-N 3.24Å; H1855-I1859 VanDerWaalsContact O-N 3.1Å
1856F68.4Low66.2Low21 Ų2179.3 Ų79.39%0.09240%0.404CS..Hα-helixtrans-66.4-45.3171.8-96-69.2000112.8L1840 V1852 Q1853 T1858 I1859 E1860 Y1874 L1878L1840-F1856 HydrophobicContact CD1-CD1 4.45Å; L1840-F1856 HydrophobicContact CD1-CD2 3.46Å; L1840-F1856 VanDerWaalsContact CD1-CD2 3.46Å; L1840-F1856 HydrophobicContact CD1-CE2 3.55Å; L1840-F1856 HydrophobicContact CD1-CG 3.96Å; L1840-F1856 HydrophobicContact CD1-CZ 4.18Å; L1840-F1856 HydrophobicContact CD2-CD1 4.34Å; L1840-F1856 HydrophobicContact CD2-CE1 4.03Å; L1840-F1856 HydrophobicContact CD2-CE2 4.25Å; L1840-F1856 HydrophobicContact CD2-CZ 4.03Å; L1840-F1856 HydrophobicContact CG-CE2 4.38Å; V1852-F1856 HydrophobicContact CG1-CD2 3.57Å; V1852-F1856 HydrophobicContact CG1-CE2 3.52Å; V1852-F1856 WeakPolarHBondContact O-CB 3.28Å; V1852-F1856 WeakPolarHBondContact O-CD2 3.44Å; V1852-F1856 PolarHBondContact O-N 2.85Å; Q1853-F1856 WeakPolarHBondContact O-CB 3.48Å; Q1853-F1856 PolarHBondContact O-N 3.03Å; F1856-T1858 VanDerWaalsContact C-N 3.29Å; F1856-T1858 PolarHBondContact O-N 3.22Å; F1856-I1859 PolarHBondContact O-N 2.91Å; F1856-I1859 VanDerWaalsContact O-N 3.17Å; F1856-E1860 PolarHBondContact O-N 3.16Å; F1856-Y1874 HydrophobicContact CZ-CG 4.46Å; F1856-L1878 HydrophobicContact CD2-CD1 3.6Å; F1856-L1878 HydrophobicContact CE2-CD1 3.25Å; F1856-L1878 HydrophobicContact CE2-CG 4.24Å; F1856-L1878 HydrophobicContact CZ-CD1 4.05Å
1857E66.9Low66Low130 Ų13079.6 Ų79.661%0.60740%0.401SS*.Hα-helixtrans-62.2-36.8178.7-71.9179.3179.900112Q1853 N1861Q1853-E1857 PolarHBondContact O-N 2.92Å; Q1853-E1857 VanDerWaalsContact O-N 3.08Å; E1857-N1861 PolarHBondContact O-ND2 3.43Å; E1857-N1861 VanDerWaalsContact O-ND2 3.17Å
1858T69.7Low66Low68 Ų6880.5 Ų80.542%0.41740%0.404SS..Hα-helixtrans-69.7-36174.544.60000112.5S1854 H1855 F1856S1854-T1858 PolarHBondContact O-N 3.35Å; S1854-T1858 PolarHBondContact O-OG1 3.22Å; S1854-T1858 VanDerWaalsContact O-OG1 3.09Å; H1855-T1858 VanDerWaalsContact CA-OG1 3.26Å; H1855-T1858 WeakPolarHBondContact CA-OG1 3.48Å; H1855-T1858 PolarHBondContact O-OG1 3.42Å; F1856-T1858 VanDerWaalsContact C-N 3.29Å; F1856-T1858 PolarHBondContact O-N 3.22Å
1859I65.4Low66.1Low4 Ų478.5 Ų78.52%0.02139%0.394CS..Hα-helixtrans-69-40.7173.9-68.2164.3000111.3P1836 L1840 H1855 F1856 N1861 N1862 C1863P1836-I1859 HydrophobicContact CB-CD1 4.3Å; P1836-I1859 HydrophobicContact CB-CG1 3.88Å; P1836-I1859 HydrophobicContact CG-CG1 4.28Å; L1840-I1859 HydrophobicContact CB-CD1 4.05Å; L1840-I1859 HydrophobicContact CD2-CD1 3.79Å; L1840-I1859 HydrophobicContact CG-CD1 4.38Å; H1855-I1859 WeakPolarHBondContact O-CD1 3.15Å; H1855-I1859 WeakPolarHBondContact O-CG1 3.39Å; H1855-I1859 PolarHBondContact O-N 3.24Å; H1855-I1859 VanDerWaalsContact O-N 3.1Å; F1856-I1859 PolarHBondContact O-N 2.91Å; F1856-I1859 VanDerWaalsContact O-N 3.17Å; I1859-N1861 PolarHBondContact O-N 3.2Å; I1859-N1862 CarbonylContact O-C 3.5Å; I1859-N1862 PolarHBondContact O-N 3.26Å; I1859-C1863 HydrophobicContact CG2-CB 3.94Å; I1859-C1863 WeakPolarHBondContact O-CA 3.33Å; I1859-C1863 WeakPolarHBondContact O-CB 3.29Å; I1859-C1863 PolarHBondContact O-N 2.98Å
1860E61.8Low66.7Low123 Ų12379.7 Ų79.758%0.57540%0.397SS*.Hα-helixtrans-57.1-33.3-179.8-79.5-167.9162.200112.7F1856F1856-E1860 PolarHBondContact O-N 3.16Å
1861N65.7Low67.1Low133 Ų13373.1 Ų73.171%0.71137%0.369SS*.Hα-helixtrans-76.5-23.6179.2-68.3-39.5000113.9E1857 I1859E1857-N1861 PolarHBondContact O-ND2 3.43Å; E1857-N1861 VanDerWaalsContact O-ND2 3.17Å; I1859-N1861 PolarHBondContact O-N 3.2Å
1862N62.7Low67.5Low143 Ų14371 Ų7177%0.76536%0.359SS*.Hα-helixtrans-139.225.9-170.4-73.5-34.5000114.7I1859 P1864I1859-N1862 CarbonylContact O-C 3.5Å; I1859-N1862 PolarHBondContact O-N 3.26Å; N1862-P1864 WeakPolarHBondContact O-CD 3.42Å
1863C60.1Low68.1Low39 Ų3971.1 Ų71.126%0.26436%0.36SS..  trans-71114.6-168.9-162.40000113.5I1859 W1867I1859-C1863 HydrophobicContact CG2-CB 3.94Å; I1859-C1863 WeakPolarHBondContact O-CA 3.33Å; I1859-C1863 WeakPolarHBondContact O-CB 3.29Å; I1859-C1863 PolarHBondContact O-N 2.98Å; C1863-W1867 VanDerWaalsContact SG-CB 3.52Å
1864P62.2Low68.6Low55 Ų5567.2 Ų67.236%0.35734%0.341SS..  trans-65.9151.1167.328.1-31.7000110.6N1862 E1866 W1867N1862-P1864 WeakPolarHBondContact O-CD 3.42Å; P1864-E1866 PolarHBondContact O-N 2.93Å; P1864-W1867 HydrophobicContact CG-CB 4.22Å; P1864-W1867 HydrophobicContact CG-CD2 3.34Å; P1864-W1867 HydrophobicContact CG-CE3 3.52Å; P1864-W1867 HydrophobicContact CG-CG 3.69Å; P1864-W1867 HydrophobicContact CG-CH2 4.26Å; P1864-W1867 HydrophobicContact CG-CZ2 4.15Å; P1864-W1867 HydrophobicContact CG-CZ3 3.96Å; P1864-W1867 WeakPolarHBondContact O-CB 3.34Å; P1864-W1867 PolarHBondContact O-N 2.96Å
1865K62.1Low68.9Low171 Ų17171.3 Ų71.374%0.74335%0.348SS*.THydrogen-bonded Turntrans-54.9-32.6-173-68.1-178.7179.3177.20113.9W1867 M1868K1865-W1867 PolarHBondContact O-N 3.48Å; K1865-M1868 HydrophobicContact CB-CE 4.25Å; K1865-M1868 HydrophobicContact CG-CE 3.98Å; K1865-M1868 PolarHBondContact O-N 2.86Å
1866E60.5Low69.1Low155 Ų15570.1 Ų70.172%0.72434%0.343SS*.THydrogen-bonded Turntrans-65.3-23.5-179.2-59.8-178.6179.100112.6P1864P1864-E1866 PolarHBondContact O-N 2.93Å
1867W69.9Low69.5Low67 Ų6770 Ų7025%0.25434%0.342SS..THydrogen-bonded Turntrans-93.8-20.3-174.8-69.24.9000113.5P1836 M1837 C1863 P1864 K1865 L1869 K1870 S1871P1836-W1867 HydrophobicContact CG-CH2 4.23Å; P1836-W1867 HydrophobicContact CG-CZ3 3.89Å; M1837-W1867 HydrophobicContact CB-CD2 3.84Å; M1837-W1867 HydrophobicContact CB-CE3 3.98Å; M1837-W1867 HydrophobicContact CB-CH2 3.86Å; M1837-W1867 HydrophobicContact CB-CZ2 3.67Å; M1837-W1867 HydrophobicContact CB-CZ3 4.02Å; M1837-W1867 HydrophobicContact CE-CB 3.23Å; M1837-W1867 HydrophobicContact CE-CD2 3.52Å; M1837-W1867 HydrophobicContact CE-CE3 3.95Å; M1837-W1867 HydrophobicContact CE-CG 3.17Å; M1837-W1867 HydrophobicContact CG-CD2 4.12Å; M1837-W1867 HydrophobicContact CG-CG 4.36Å; M1837-W1867 HydrophobicContact CG-CZ2 4.42Å; C1863-W1867 VanDerWaalsContact SG-CB 3.52Å; P1864-W1867 HydrophobicContact CG-CB 4.22Å; P1864-W1867 HydrophobicContact CG-CD2 3.34Å; P1864-W1867 HydrophobicContact CG-CE3 3.52Å; P1864-W1867 HydrophobicContact CG-CG 3.69Å; P1864-W1867 HydrophobicContact CG-CH2 4.26Å; P1864-W1867 HydrophobicContact CG-CZ2 4.15Å; P1864-W1867 HydrophobicContact CG-CZ3 3.96Å; P1864-W1867 WeakPolarHBondContact O-CB 3.34Å; P1864-W1867 PolarHBondContact O-N 2.96Å; K1865-W1867 PolarHBondContact O-N 3.48Å; W1867-L1869 PolarHBondContact O-N 3.45Å; W1867-K1870 PolarHBondContact O-N 3.17Å; W1867-S1871 WeakPolarHBondContact O-CB 3.44Å; W1867-S1871 PolarHBondContact O-N 3.42Å; W1867-S1871 PolarHBondContact O-OG 2.88Å
1868M70.9Confident69.8Low85 Ų8565.2 Ų65.242%0.41932%0.32SS..Hα-helixtrans-58.5-32.7-179-84-160.8-88.900113.9K1865 S1871 A1872 L1901K1865-M1868 HydrophobicContact CB-CE 4.25Å; K1865-M1868 HydrophobicContact CG-CE 3.98Å; K1865-M1868 PolarHBondContact O-N 2.86Å; M1868-S1871 WeakPolarHBondContact CA-OG 3.37Å; M1868-S1871 PolarHBondContact O-OG 3.45Å; M1868-A1872 WeakPolarHBondContact O-CB 3.36Å; M1868-A1872 PolarHBondContact O-N 2.9Å; M1868-A1872 VanDerWaalsContact O-N 3.07Å; M1868-L1901 HydrophobicContact CB-CD1 4.43Å
1869L73.6Confident70Confident17 Ų1762.5 Ų62.59%0.08930%0.304CS..Hα-helixtrans-72.8-45.7-177.7-158.1156.2000111.2W1867 L1873 L1901 L1902 E1905 L1923W1867-L1869 PolarHBondContact O-N 3.45Å; L1869-L1873 PolarHBondContact O-N 2.94Å; L1869-L1901 HydrophobicContact CD1-CB 4.06Å; L1869-L1901 HydrophobicContact CG-CB 4.32Å; L1869-L1902 HydrophobicContact CD1-CD2 3.65Å; L1869-L1902 HydrophobicContact CD1-CG 3.81Å; L1869-L1902 HydrophobicContact CD2-CD2 3.83Å; L1869-L1902 HydrophobicContact CD2-CG 4Å; L1869-L1902 HydrophobicContact CG-CD2 4.3Å; L1869-L1902 HydrophobicContact CG-CG 4.26Å; L1869-E1905 HydrophobicContact CD1-CG 4.45Å; L1869-L1923 HydrophobicContact CD2-CB 4.43Å; L1869-L1923 HydrophobicContact CD2-CD1 4.12Å
1870K75.7Confident70.4Confident66 Ų6662.9 Ų62.929%0.28731%0.306SS..Hα-helixtrans-64.9-41.9174.2-74.4-172.2175.8-174.10110.9M1837 E1841 W1867 A1872 L1873 Y1874M1837-K1870 HydrophobicContact SD-CD 4.3Å; E1841-K1870 IonicContact OE1-NZ 2.75Å; E1841-K1870 IonicContact OE2-NZ 3.05Å; E1841-K1870 PolarHBondContact OE2-NZ 3.48Å; W1867-K1870 PolarHBondContact O-N 3.17Å; K1870-A1872 PolarHBondContact O-N 3.45Å; K1870-L1873 PolarHBondContact O-N 3.16Å; K1870-Y1874 HydrophobicContact CB-CD2 4.3Å; K1870-Y1874 HydrophobicContact CB-CE2 3.87Å; K1870-Y1874 HydrophobicContact CD-CE2 4.48Å; K1870-Y1874 WeakPolarHBondContact O-CB 3.44Å; K1870-Y1874 WeakPolarHBondContact O-CD2 3.09Å; K1870-Y1874 VanDerWaalsContact O-CG 3.25Å; K1870-Y1874 PolarHBondContact O-N 3.26Å
1871S75Confident70.5Confident23 Ų2363.7 Ų63.716%0.16130%0.303CS..Hα-helixtrans-63.9-42.9-179.873.10000112.5W1867 M1868 L1873 Y1874 R1875W1867-S1871 WeakPolarHBondContact O-CB 3.44Å; W1867-S1871 PolarHBondContact O-N 3.42Å; W1867-S1871 PolarHBondContact O-OG 2.88Å; M1868-S1871 WeakPolarHBondContact CA-OG 3.37Å; M1868-S1871 PolarHBondContact O-OG 3.45Å; S1871-L1873 VanDerWaalsContact C-N 3.31Å; S1871-L1873 PolarHBondContact O-N 3.27Å; S1871-Y1874 PolarHBondContact O-N 2.91Å; S1871-R1875 VanDerWaalsContact O-CB 3.26Å; S1871-R1875 WeakPolarHBondContact O-CB 3.28Å; S1871-R1875 PolarHBondContact O-N 3.08Å
1872A76Confident70.3Confident11 Ų1161.6 Ų61.69%0.09130%0.295CS..Hα-helixtrans-61.4-39.6175.700000112.3M1868 K1870 G1876 C1898M1868-A1872 WeakPolarHBondContact O-CB 3.36Å; M1868-A1872 PolarHBondContact O-N 2.9Å; M1868-A1872 VanDerWaalsContact O-N 3.07Å; K1870-A1872 PolarHBondContact O-N 3.45Å; A1872-G1876 PolarHBondContact O-N 3.04Å; A1872-G1876 VanDerWaalsContact O-N 3.1Å; A1872-C1898 HydrophobicContact CB-CB 4.4Å
1873L77.5Confident69.9Low5 Ų557.6 Ų57.63%0.02628%0.278CS..Hα-helixtrans-65.6-48.9177.1-173.3124.1000111.6L1869 K1870 S1871 R1875 G1876 Y1877 L1926 A1927 W1985L1869-L1873 PolarHBondContact O-N 2.94Å; K1870-L1873 PolarHBondContact O-N 3.16Å; S1871-L1873 VanDerWaalsContact C-N 3.31Å; S1871-L1873 PolarHBondContact O-N 3.27Å; L1873-R1875 VanDerWaalsContact C-N 3.34Å; L1873-R1875 PolarHBondContact O-N 2.88Å; L1873-G1876 PolarHBondContact O-N 3.08Å; L1873-Y1877 PolarHBondContact O-N 3.29Å; L1873-L1926 HydrophobicContact CD1-CB 3.82Å; L1873-A1927 HydrophobicContact CD1-CB 4.28Å; L1873-W1985 HydrophobicContact CD2-CH2 3.36Å; L1873-W1985 HydrophobicContact CD2-CZ2 4.25Å; L1873-W1985 HydrophobicContact CD2-CZ3 3.57Å; L1873-W1985 HydrophobicContact CG-CH2 3.95Å
1874Y77.7Confident69.3Low18 Ų1865.3 Ų65.37%0.07131%0.311CS..Hα-helixtrans-66.9-33.6178.7-62.6-33.6000112.3L1840 W1844 F1856 K1870 S1871 Y1877 L1878 W1985L1840-Y1874 HydrophobicContact CD2-CD2 3.78Å; L1840-Y1874 HydrophobicContact CD2-CE2 4.3Å; L1840-Y1874 HydrophobicContact CG-CD2 4.48Å; W1844-Y1874 HydrophobicContact CD2-CE1 4.42Å; W1844-Y1874 AromaticContact CE2-CE1 3.75Å; W1844-Y1874 HydrophobicContact CZ2-CE1 4.07Å; W1844-Y1874 AromaticContact NE1-CE1 3.52Å; W1844-Y1874 AromaticContact NE1-CZ 3.41Å; W1844-Y1874 PolarHBondContact NE1-OH 3.28Å; F1856-Y1874 HydrophobicContact CZ-CG 4.46Å; K1870-Y1874 HydrophobicContact CB-CD2 4.3Å; K1870-Y1874 HydrophobicContact CB-CE2 3.87Å; K1870-Y1874 HydrophobicContact CD-CE2 4.48Å; K1870-Y1874 WeakPolarHBondContact O-CB 3.44Å; K1870-Y1874 WeakPolarHBondContact O-CD2 3.09Å; K1870-Y1874 VanDerWaalsContact O-CG 3.25Å; K1870-Y1874 PolarHBondContact O-N 3.26Å; S1871-Y1874 PolarHBondContact O-N 2.91Å; Y1874-Y1877 WeakPolarHBondContact O-CB 3.3Å; Y1874-Y1877 PolarHBondContact O-N 2.91Å; Y1874-L1878 PolarHBondContact O-N 3.09Å; Y1874-W1985 HydrophobicContact CD1-CH2 4.33Å; Y1874-W1985 AromaticContact CD1-CZ3 3.84Å; Y1874-W1985 HydrophobicContact CD1-CZ3 3.84Å; Y1874-W1985 HydrophobicContact CE1-CZ3 4.11Å
1875R75.5Confident68.6Low138 Ų13870.3 Ų70.352%0.52133%0.329SS..Hα-helixtrans-62.3-45.1172.8-171.4-179.4-170.117310111.8S1871 L1873 Y1877 L1878 S1879S1871-R1875 VanDerWaalsContact O-CB 3.26Å; S1871-R1875 WeakPolarHBondContact O-CB 3.28Å; S1871-R1875 PolarHBondContact O-N 3.08Å; L1873-R1875 VanDerWaalsContact C-N 3.34Å; L1873-R1875 PolarHBondContact O-N 2.88Å; R1875-Y1877 PolarHBondContact O-N 3.41Å; R1875-L1878 PolarHBondContact O-N 3.28Å; R1875-S1879 PolarHBondContact O-N 3.06Å; R1875-S1879 VanDerWaalsContact O-N 3.09Å; R1875-S1879 PolarHBondContact O-OG 3.35Å
1876G74.5Confident68.1Low0 Ų071 Ų710%034%0.335CS..Hα-helixtrans-62.3-28.8175.300000113.3A1872 L1873 S1879A1872-G1876 PolarHBondContact O-N 3.04Å; A1872-G1876 VanDerWaalsContact O-N 3.1Å; L1873-G1876 PolarHBondContact O-N 3.08Å; G1876-S1879 VanDerWaalsContact C-OG 3.26Å; G1876-S1879 WeakPolarHBondContact CA-OG 3.45Å; G1876-S1879 PolarHBondContact O-OG 3.45Å
1877Y75.9Confident67.8Low19 Ų1968 Ų688%0.07532%0.324CS..Hα-helixtrans-73.7-45.1172.3-176.2-99.4000112.9L1873 Y1874 R1875 S1879 F1880 W1985 R1988 Y1989 I1992L1873-Y1877 PolarHBondContact O-N 3.29Å; Y1874-Y1877 WeakPolarHBondContact O-CB 3.3Å; Y1874-Y1877 PolarHBondContact O-N 2.91Å; R1875-Y1877 PolarHBondContact O-N 3.41Å; Y1877-S1879 PolarHBondContact O-N 3.03Å; Y1877-F1880 HydrophobicContact CD2-CD2 4.35Å; Y1877-F1880 VanDerWaalsContact O-CD2 3.28Å; Y1877-F1880 WeakPolarHBondContact O-CD2 3.24Å; Y1877-F1880 PolarHBondContact O-N 3.48Å; Y1877-W1985 VanDerWaalsContact CB-CH2 3.41Å; Y1877-W1985 AromaticContact CD2-CD2 3.95Å; Y1877-W1985 HydrophobicContact CD2-CD2 3.95Å; Y1877-W1985 AromaticContact CD2-CE2 3.45Å; Y1877-W1985 VanDerWaalsContact CD2-CE2 3.45Å; Y1877-W1985 HydrophobicContact CD2-CE3 4.33Å; Y1877-W1985 AromaticContact CD2-CH2 3.91Å; Y1877-W1985 HydrophobicContact CD2-CH2 3.91Å; Y1877-W1985 AromaticContact CD2-CZ2 3.46Å; Y1877-W1985 HydrophobicContact CD2-CZ2 3.46Å; Y1877-W1985 VanDerWaalsContact CD2-CZ2 3.46Å; Y1877-W1985 HydrophobicContact CD2-CZ3 4.3Å; Y1877-W1985 AromaticContact CD2-NE1 3.84Å; Y1877-W1985 HydrophobicContact CE2-CD2 4.21Å; Y1877-W1985 HydrophobicContact CE2-CZ2 4.46Å; Y1877-W1985 AromaticContact CG-CH2 3.82Å; Y1877-W1985 HydrophobicContact CG-CH2 3.82Å; Y1877-W1985 AromaticContact CG-CZ2 3.83Å; Y1877-W1985 HydrophobicContact CG-CZ2 3.83Å; Y1877-W1985 HydrophobicContact CG-CZ3 4.21Å; Y1877-R1988 WeakPolarHBondContact OH-CB 3.33Å; Y1877-Y1989 PolarHBondContact OH-N 3Å; Y1877-I1992 HydrophobicContact CE1-CD1 4.31Å; Y1877-I1992 WeakPolarHBondContact OH-CD1 3.32Å
1878L74Confident67.5Low30 Ų3065.7 Ų65.716%0.15732%0.322CS..Hα-helixtrans-61.6-31.9178.1-73.2178.7000113L1849 V1852 F1856 Y1874 R1875 F1880 R1881 T1882L1849-L1878 HydrophobicContact CD2-CD2 3.82Å; V1852-L1878 HydrophobicContact CG1-CD1 3.92Å; V1852-L1878 HydrophobicContact CG1-CD2 4.12Å; V1852-L1878 HydrophobicContact CG1-CG 4.48Å; F1856-L1878 HydrophobicContact CD2-CD1 3.6Å; F1856-L1878 HydrophobicContact CE2-CD1 3.25Å; F1856-L1878 HydrophobicContact CE2-CG 4.24Å; F1856-L1878 HydrophobicContact CZ-CD1 4.05Å; Y1874-L1878 PolarHBondContact O-N 3.09Å; R1875-L1878 PolarHBondContact O-N 3.28Å; L1878-F1880 PolarHBondContact O-N 2.85Å; L1878-F1880 VanDerWaalsContact O-N 3.08Å; L1878-R1881 PolarHBondContact O-N 2.85Å; L1878-T1882 PolarHBondContact O-N 3.45Å; L1878-T1882 PolarHBondContact O-OG1 2.93Å
1879S73.9Confident67.5Low11 Ų1167.7 Ų67.78%0.07733%0.328CS..Hα-helixtrans-59.9-17.6177.2400000114.4R1875 G1876 Y1877 R1881 S1883 I1891R1875-S1879 PolarHBondContact O-N 3.06Å; R1875-S1879 VanDerWaalsContact O-N 3.09Å; R1875-S1879 PolarHBondContact O-OG 3.35Å; G1876-S1879 VanDerWaalsContact C-OG 3.26Å; G1876-S1879 WeakPolarHBondContact CA-OG 3.45Å; G1876-S1879 PolarHBondContact O-OG 3.45Å; Y1877-S1879 PolarHBondContact O-N 3.03Å; S1879-R1881 PolarHBondContact O-N 3.48Å; S1879-S1883 PolarHBondContact O-OG 3.48Å; S1879-I1891 VanDerWaalsContact OG-CG1 3.31Å; S1879-I1891 WeakPolarHBondContact OG-CG1 3.43Å
1880F72.4Confident67.5Low12 Ų1269.1 Ų69.15%0.05334%0.339CS..Hα-helixtrans-65.4-20.1172.3-71.7-62.2000114Y1877 L1878 I1891 L1930 A1933 H1937 Y1989Y1877-F1880 HydrophobicContact CD2-CD2 4.35Å; Y1877-F1880 VanDerWaalsContact O-CD2 3.28Å; Y1877-F1880 WeakPolarHBondContact O-CD2 3.24Å; Y1877-F1880 PolarHBondContact O-N 3.48Å; L1878-F1880 PolarHBondContact O-N 2.85Å; L1878-F1880 VanDerWaalsContact O-N 3.08Å; F1880-I1891 HydrophobicContact CD1-CD1 3.9Å; F1880-I1891 HydrophobicContact CE1-CD1 3.59Å; F1880-I1891 HydrophobicContact CZ-CD1 4.02Å; F1880-L1930 HydrophobicContact CE2-CD1 3.51Å; F1880-L1930 HydrophobicContact CZ-CD1 3.98Å; F1880-A1933 HydrophobicContact CE2-CB 4.37Å; F1880-A1933 HydrophobicContact CZ-CB 3.93Å; F1880-H1937 HydrophobicContact CD1-CB 4.16Å; F1880-H1937 AromaticContact CD1-CG 3.79Å; F1880-H1937 AromaticContact CD1-ND1 3.9Å; F1880-H1937 HydrophobicContact CE1-CB 3.78Å; F1880-H1937 AromaticContact CE1-CG 3.95Å; F1880-Y1989 HydrophobicContact CD1-CE2 4.16Å; F1880-Y1989 HydrophobicContact CD2-CD2 4.17Å; F1880-Y1989 HydrophobicContact CD2-CE2 4.15Å; F1880-Y1989 HydrophobicContact CE1-CE2 4.02Å; F1880-Y1989 HydrophobicContact CE2-CD2 4.18Å; F1880-Y1989 HydrophobicContact CE2-CE2 4.01Å; F1880-Y1989 HydrophobicContact CG-CE2 4.24Å; F1880-Y1989 AromaticContact CZ-CE2 3.96Å; F1880-Y1989 HydrophobicContact CZ-CE2 3.96Å
1881R65Low67.4Low140 Ų14066.4 Ų66.453%0.52833%0.328SS..Hα-helixtrans-111.9-30.9-179.7-100.8-170.8176.3-176.61.8114.2L1878 S1879 I1992L1878-R1881 PolarHBondContact O-N 2.85Å; S1879-R1881 PolarHBondContact O-N 3.48Å; R1881-I1992 HydrophobicContact CG-CG2 4.34Å
1882T61.3Low67.5Low88 Ų8870.4 Ų70.454%0.5434%0.344SS..Hα-helixtrans-87.7-14.7-170.548.30000115L1878L1878-T1882 PolarHBondContact O-N 3.45Å; L1878-T1882 PolarHBondContact O-OG1 2.93Å
1883S53.9Low67.8Low59 Ų5975.8 Ų75.841%0.41337%0.367SS..  trans-99.5111.7177.963.80000112.3S1879 Q1885S1879-S1883 PolarHBondContact O-OG 3.48Å; S1883-Q1885 PolarHBondContact O-N 2.87Å
1884E48.3Very low68Low202 Ų20276.8 Ų76.894%0.94437%0.373SS*.  trans-64.25.8159-67.6-176.6149.800113
1885Q46.3Very low68.2Low159 Ų15976.6 Ų76.674%0.74337%0.374SS*.SBendtrans-107.5131-173.7-67.6-170.4-8.400112.7S1883 D1887S1883-Q1885 PolarHBondContact O-N 2.87Å; Q1885-D1887 PolarHBondContact O-N 3.24Å
1886Q52.3Low68.6Low185 Ų18576 Ų7686%0.86438%0.376SS*.  trans-70.88.7-170.3-62.9176.4-1500115.7
1887D54.8Low69Low92 Ų9279.2 Ų79.249%0.49240%0.396SS..  trans-114.9108.2-169.2-89.312.2000112Q1885 K1889Q1885-D1887 PolarHBondContact O-N 3.24Å; D1887-K1889 PolarHBondContact O-N 3.01Å; D1887-K1889 IonicContact OD2-NZ 3.82Å; D1887-K1889 PolarHBondContact OD2-NZ 3.09Å
1888G63.5Low69.3Low20 Ų2078.4 Ų78.421%0.20639%0.394CS..THydrogen-bonded Turntrans-6412.6177.500000116.8I1891 E1892G1888-I1891 PolarHBondContact O-N 3.09Å; G1888-E1892 PolarHBondContact O-N 3.08Å
1889K71Confident69.8Low126 Ų12678.3 Ų78.355%0.54839%0.394SS..Hα-helixtrans-66.5-39.6-175-68.9174.2-177.4142.60113.1D1887 I1891 E1892 E1893D1887-K1889 PolarHBondContact O-N 3.01Å; D1887-K1889 IonicContact OD2-NZ 3.82Å; D1887-K1889 PolarHBondContact OD2-NZ 3.09Å; K1889-I1891 VanDerWaalsContact C-N 3.27Å; K1889-I1891 PolarHBondContact O-N 3.35Å; K1889-E1892 PolarHBondContact O-N 3.06Å; K1889-E1893 WeakPolarHBondContact O-CG 3.35Å; K1889-E1893 PolarHBondContact O-N 3.24Å
1890S72.5Confident70.4Confident47 Ų4779.5 Ų79.533%0.32940%0.403SS..Hα-helixtrans-64.1-33.1179.659.10000112.5N1894S1890-N1894 PolarHBondContact O-N 3.25Å; S1890-N1894 PolarHBondContact O-ND2 3.28Å
1891I73.6Confident70.9Confident10 Ų1080.9 Ų80.95%0.05141%0.41CS..Hα-helixtrans-71.3-43.6175.7-59.2163.1000110S1879 F1880 G1888 K1889 E1893 N1894 V1895 L1930S1879-I1891 VanDerWaalsContact OG-CG1 3.31Å; S1879-I1891 WeakPolarHBondContact OG-CG1 3.43Å; F1880-I1891 HydrophobicContact CD1-CD1 3.9Å; F1880-I1891 HydrophobicContact CE1-CD1 3.59Å; F1880-I1891 HydrophobicContact CZ-CD1 4.02Å; G1888-I1891 PolarHBondContact O-N 3.09Å; K1889-I1891 VanDerWaalsContact C-N 3.27Å; K1889-I1891 PolarHBondContact O-N 3.35Å; I1891-E1893 PolarHBondContact O-N 3.43Å; I1891-N1894 PolarHBondContact O-N 2.89Å; I1891-V1895 HydrophobicContact CG2-CG2 4.34Å; I1891-V1895 VanDerWaalsContact O-CG2 3.29Å; I1891-V1895 WeakPolarHBondContact O-CG2 3.5Å; I1891-V1895 PolarHBondContact O-N 3.37Å; I1891-L1930 HydrophobicContact CG2-CD1 4.09Å; I1891-L1930 HydrophobicContact CG2-CG 4.05Å
1892E78.6Confident71.9Confident107 Ų10774.2 Ų74.250%0.539%0.385SS..Hα-helixtrans-60.9-42.1176.5-71.7-176.4-179.200112.2G1888 K1889 V1895 Q1896G1888-E1892 PolarHBondContact O-N 3.08Å; K1889-E1892 PolarHBondContact O-N 3.06Å; E1892-V1895 PolarHBondContact O-N 3.24Å; E1892-Q1896 WeakPolarHBondContact O-CB 3.17Å; E1892-Q1896 VanDerWaalsContact O-CG 3.25Å; E1892-Q1896 WeakPolarHBondContact O-CG 3.35Å; E1892-Q1896 PolarHBondContact O-N 2.89Å
1893E82.2Confident73.1Confident124 Ų12470.5 Ų70.558%0.57936%0.362SS*.Hα-helixtrans-62.2-44.4176.1-73.7174.6-176.400112.1K1889 I1891 Q1896 T1897K1889-E1893 WeakPolarHBondContact O-CG 3.35Å; K1889-E1893 PolarHBondContact O-N 3.24Å; I1891-E1893 PolarHBondContact O-N 3.43Å; E1893-Q1896 PolarHBondContact O-N 2.94Å; E1893-T1897 WeakPolarHBondContact O-CB 3.48Å; E1893-T1897 PolarHBondContact O-N 3.31Å; E1893-T1897 PolarHBondContact O-OG1 2.93Å
1894N80.4Confident74.4Confident25 Ų2572.2 Ų72.213%0.13436%0.362CS..Hα-helixtrans-66.1-39.1177-75.3-40.8000112S1890 I1891 T1897 C1898S1890-N1894 PolarHBondContact O-N 3.25Å; S1890-N1894 PolarHBondContact O-ND2 3.28Å; I1891-N1894 PolarHBondContact O-N 2.89Å; N1894-T1897 PolarHBondContact O-N 2.8Å; N1894-C1898 WeakPolarHBondContact O-CB 3.08Å; N1894-C1898 PolarHBondContact O-N 2.74Å
1895V81.4Confident75.9Confident15 Ų1566.1 Ų66.19%0.09133%0.333CS..Hα-helixtrans-65.9-42.9174.1171.50000111.2I1891 E1892 T1897 C1898 T1899 L1930I1891-V1895 HydrophobicContact CG2-CG2 4.34Å; I1891-V1895 VanDerWaalsContact O-CG2 3.29Å; I1891-V1895 WeakPolarHBondContact O-CG2 3.5Å; I1891-V1895 PolarHBondContact O-N 3.37Å; E1892-V1895 PolarHBondContact O-N 3.24Å; V1895-T1897 VanDerWaalsContact C-N 3.33Å; V1895-T1897 PolarHBondContact O-N 3.38Å; V1895-C1898 PolarHBondContact O-N 3.25Å; V1895-T1899 HydrophobicContact CG1-CG2 4.24Å; V1895-T1899 WeakPolarHBondContact O-CB 3.32Å; V1895-T1899 VanDerWaalsContact O-CG2 3.31Å; V1895-T1899 WeakPolarHBondContact O-CG2 3.37Å; V1895-T1899 PolarHBondContact O-N 3.22Å; V1895-T1899 PolarHBondContact O-OG1 2.8Å; V1895-L1930 HydrophobicContact CG2-CB 4.26Å; V1895-L1930 HydrophobicContact CG2-CD2 3.66Å; V1895-L1930 HydrophobicContact CG2-CG 3.8Å
1896Q83.9Confident77.7Confident124 Ų12458.7 Ų58.758%0.57930%0.299SS*.Hα-helixtrans-63.3-41.3176.9-75.4-179.62200111.4E1892 E1893 T1899 S1900E1892-Q1896 WeakPolarHBondContact O-CB 3.17Å; E1892-Q1896 VanDerWaalsContact O-CG 3.25Å; E1892-Q1896 WeakPolarHBondContact O-CG 3.35Å; E1892-Q1896 PolarHBondContact O-N 2.89Å; E1893-Q1896 PolarHBondContact O-N 2.94Å; Q1896-T1899 WeakPolarHBondContact CA-OG1 3.28Å; Q1896-T1899 PolarHBondContact O-N 2.9Å; Q1896-T1899 PolarHBondContact O-OG1 2.97Å; Q1896-S1900 WeakPolarHBondContact O-CB 3.19Å; Q1896-S1900 PolarHBondContact O-N 3.39Å; Q1896-S1900 PolarHBondContact O-OG 3.48Å
1897T83.3Confident79.1Confident69 Ų6951 Ų5142%0.42326%0.262SS..Hα-helixtrans-61.6-50.7174.9-55.50000110.4E1893 N1894 V1895 T1899 S1900 L1901E1893-T1897 WeakPolarHBondContact O-CB 3.48Å; E1893-T1897 PolarHBondContact O-N 3.31Å; E1893-T1897 PolarHBondContact O-OG1 2.93Å; N1894-T1897 PolarHBondContact O-N 2.8Å; V1895-T1897 VanDerWaalsContact C-N 3.33Å; V1895-T1897 PolarHBondContact O-N 3.38Å; T1897-T1899 PolarHBondContact O-N 2.97Å; T1897-S1900 PolarHBondContact O-N 2.93Å; T1897-S1900 PolarHBondContact O-OG 3.26Å; T1897-L1901 HydrophobicContact CG2-CD1 4.33Å; T1897-L1901 WeakPolarHBondContact O-CG 3.21Å; T1897-L1901 PolarHBondContact O-N 3.47Å
1898C83.3Confident80.2Confident2 Ų248.3 Ų48.31%0.01425%0.245CC..Hα-helixtrans-58.5-46.7177.3-179.10000112.5A1872 N1894 V1895 S1900 L1901 L1902A1872-C1898 HydrophobicContact CB-CB 4.4Å; N1894-C1898 WeakPolarHBondContact O-CB 3.08Å; N1894-C1898 PolarHBondContact O-N 2.74Å; V1895-C1898 PolarHBondContact O-N 3.25Å; C1898-S1900 VanDerWaalsContact C-N 3.35Å; C1898-S1900 PolarHBondContact O-N 3.4Å; C1898-L1901 PolarHBondContact O-N 3.07Å; C1898-L1902 WeakPolarHBondContact O-CB 3.18Å; C1898-L1902 WeakPolarHBondContact O-CG 3.32Å; C1898-L1902 PolarHBondContact O-N 2.95Å
1899T84.7Confident81Confident27 Ų2748 Ų4817%0.16624%0.238CC..Hα-helixtrans-64.7-37.1178530000112.5V1895 Q1896 T1897 L1902 I1903 A1927V1895-T1899 HydrophobicContact CG1-CG2 4.24Å; V1895-T1899 WeakPolarHBondContact O-CB 3.32Å; V1895-T1899 VanDerWaalsContact O-CG2 3.31Å; V1895-T1899 WeakPolarHBondContact O-CG2 3.37Å; V1895-T1899 PolarHBondContact O-N 3.22Å; V1895-T1899 PolarHBondContact O-OG1 2.8Å; Q1896-T1899 WeakPolarHBondContact CA-OG1 3.28Å; Q1896-T1899 PolarHBondContact O-N 2.9Å; Q1896-T1899 PolarHBondContact O-OG1 2.97Å; T1897-T1899 PolarHBondContact O-N 2.97Å; T1899-L1902 PolarHBondContact O-N 2.81Å; T1899-I1903 WeakPolarHBondContact O-CD1 3.4Å; T1899-I1903 VanDerWaalsContact O-CG1 3.25Å; T1899-I1903 WeakPolarHBondContact O-CG1 3.3Å; T1899-I1903 PolarHBondContact O-N 3.48Å; T1899-A1927 HydrophobicContact CG2-CB 4.45Å
1900S85.5Confident81.3Confident37 Ų3742.3 Ų42.326%0.25921%0.214SC..Hα-helixtrans-65.1-39.4174.978.10000112.2Q1896 T1897 C1898 K1904Q1896-S1900 WeakPolarHBondContact O-CB 3.19Å; Q1896-S1900 PolarHBondContact O-N 3.39Å; Q1896-S1900 PolarHBondContact O-OG 3.48Å; T1897-S1900 PolarHBondContact O-N 2.93Å; T1897-S1900 PolarHBondContact O-OG 3.26Å; C1898-S1900 VanDerWaalsContact C-N 3.35Å; C1898-S1900 PolarHBondContact O-N 3.4Å; S1900-K1904 WeakPolarHBondContact O-CG 3.4Å; S1900-K1904 PolarHBondContact O-N 3.29Å; S1900-K1904 VanDerWaalsContact O-N 3.08Å
1901L83.6Confident81.3Confident40 Ų4043.3 Ų43.321%0.20922%0.222CC..Hα-helixtrans-68.3-42.8175.2-67.2174.6000111.4M1868 L1869 T1897 C1898 I1903 K1904 E1905M1868-L1901 HydrophobicContact CB-CD1 4.43Å; L1869-L1901 HydrophobicContact CD1-CB 4.06Å; L1869-L1901 HydrophobicContact CG-CB 4.32Å; T1897-L1901 HydrophobicContact CG2-CD1 4.33Å; T1897-L1901 WeakPolarHBondContact O-CG 3.21Å; T1897-L1901 PolarHBondContact O-N 3.47Å; C1898-L1901 PolarHBondContact O-N 3.07Å; L1901-I1903 VanDerWaalsContact C-N 3.31Å; L1901-I1903 PolarHBondContact O-N 3.22Å; L1901-K1904 WeakPolarHBondContact O-CB 3.43Å; L1901-K1904 PolarHBondContact O-N 3.32Å; L1901-K1904 VanDerWaalsContact O-N 3.1Å; L1901-E1905 WeakPolarHBondContact O-CG 3.39Å; L1901-E1905 PolarHBondContact O-N 3.47Å
1902L85.6Confident81.3Confident0 Ų043.6 Ų43.60%022%0.223CC..Hα-helixtrans-58-42.7174.9-78.1168.5000112.2W24 L1869 C1898 T1899 K1904 E1905 W1906 M1920 L1923 A1927W24-L1902 HydrophobicContact CH2-CB 4.42Å; W24-L1902 HydrophobicContact CZ2-CB 3.79Å; W24-L1902 HydrophobicContact CZ2-CD1 4.01Å; W24-L1902 HydrophobicContact CZ2-CD2 4.38Å; W24-L1902 HydrophobicContact CZ2-CG 4.29Å; L1869-L1902 HydrophobicContact CD1-CD2 3.65Å; L1869-L1902 HydrophobicContact CD1-CG 3.81Å; L1869-L1902 HydrophobicContact CD2-CD2 3.83Å; L1869-L1902 HydrophobicContact CD2-CG 4Å; L1869-L1902 HydrophobicContact CG-CD2 4.3Å; L1869-L1902 HydrophobicContact CG-CG 4.26Å; C1898-L1902 WeakPolarHBondContact O-CB 3.18Å; C1898-L1902 WeakPolarHBondContact O-CG 3.32Å; C1898-L1902 PolarHBondContact O-N 2.95Å; T1899-L1902 PolarHBondContact O-N 2.81Å; L1902-K1904 VanDerWaalsContact C-N 3.34Å; L1902-E1905 PolarHBondContact O-N 3.21Å; L1902-W1906 WeakPolarHBondContact O-CB 3.43Å; L1902-W1906 PolarHBondContact O-N 3.4Å; L1902-M1920 HydrophobicContact CD2-SD 3.9Å; L1902-L1923 HydrophobicContact CD2-CB 3.74Å; L1902-L1923 HydrophobicContact CD2-CD1 4.36Å; L1902-A1927 HydrophobicContact CD1-CB 4.31Å
1903I85.9Confident81.2Confident10 Ų1040.2 Ų40.25%0.05121%0.206CC..Hα-helixtrans-66.6-38177-68.5161.1000110.7V20 R21 W24 T1899 L1901 R1907V20-I1903 HydrophobicContact CG1-CD1 3.99Å; V20-I1903 HydrophobicContact CG1-CG1 4.26Å; V20-I1903 HydrophobicContact CG1-CG2 3.73Å; R21-I1903 HydrophobicContact CG-CD1 4.15Å; W24-I1903 HydrophobicContact CB-CD1 4.49Å; W24-I1903 HydrophobicContact CD2-CG1 4.35Å; W24-I1903 HydrophobicContact CG-CG1 4.36Å; T1899-I1903 WeakPolarHBondContact O-CD1 3.4Å; T1899-I1903 VanDerWaalsContact O-CG1 3.25Å; T1899-I1903 WeakPolarHBondContact O-CG1 3.3Å; T1899-I1903 PolarHBondContact O-N 3.48Å; L1901-I1903 VanDerWaalsContact C-N 3.31Å; L1901-I1903 PolarHBondContact O-N 3.22Å; I1903-R1907 VanDerWaalsContact O-CG 3.28Å; I1903-R1907 WeakPolarHBondContact O-CG 3.41Å; I1903-R1907 PolarHBondContact O-N 3.06Å; I1903-R1907 VanDerWaalsContact O-N 3.12Å
1904K81.9Confident80.9Confident95 Ų9535.2 Ų35.241%0.41319%0.189SC..Hα-helixtrans-63.2-47.8174.8-74.3178.7-179.5-172.80111.4S1900 L1901 L1902 W1906 R1907 Y1908S1900-K1904 WeakPolarHBondContact O-CG 3.4Å; S1900-K1904 PolarHBondContact O-N 3.29Å; S1900-K1904 VanDerWaalsContact O-N 3.08Å; L1901-K1904 WeakPolarHBondContact O-CB 3.43Å; L1901-K1904 PolarHBondContact O-N 3.32Å; L1901-K1904 VanDerWaalsContact O-N 3.1Å; L1902-K1904 VanDerWaalsContact C-N 3.34Å; K1904-W1906 PolarHBondContact O-N 2.94Å; K1904-R1907 WeakPolarHBondContact O-CB 3.38Å; K1904-R1907 PolarHBondContact O-N 3.27Å; K1904-R1907 VanDerWaalsContact O-N 3.16Å; K1904-Y1908 HydrophobicContact CB-CE2 4.4Å; K1904-Y1908 WeakPolarHBondContact O-CD2 3.39Å; K1904-Y1908 PolarHBondContact O-N 3.25Å
1905E79.5Confident80.7Confident75 Ų7535.7 Ų35.735%0.3519%0.193SC..Hα-helixtrans-64.1-39.5177.3-67.5-54.1133.300112.4L1869 L1901 L1902 R1907 Y1908 L1909 M1920L1869-E1905 HydrophobicContact CD1-CG 4.45Å; L1901-E1905 WeakPolarHBondContact O-CG 3.39Å; L1901-E1905 PolarHBondContact O-N 3.47Å; L1902-E1905 PolarHBondContact O-N 3.21Å; E1905-R1907 VanDerWaalsContact C-N 3.26Å; E1905-R1907 PolarHBondContact O-N 3.26Å; E1905-Y1908 PolarHBondContact O-N 3.33Å; E1905-Y1908 VanDerWaalsContact O-N 3.09Å; E1905-Y1908 WeakPolarHBondContact OE1-CE2 3.44Å; E1905-L1909 PolarHBondContact O-N 2.97Å; E1905-M1920 HydrophobicContact CB-CE 4.25Å; E1905-M1920 HydrophobicContact CB-SD 3.93Å
1906W84.9Confident80.5Confident3 Ų335.3 Ų35.31%0.01119%0.192CC..Hα-helixtrans-58-38.8173.3-175.8-83.1000112.5W8 L11 W24 L1902 K1904 Y1908 L1909 F1913 H1917 M1920 L1921W8-W1906 HydrophobicContact CB-CZ2 4.42Å; W8-W1906 AromaticContact CD1-CZ2 3.63Å; W8-W1906 HydrophobicContact CG-CZ2 4.04Å; L11-W1906 HydrophobicContact CD1-CD2 4.21Å; L11-W1906 HydrophobicContact CD1-CG 4.47Å; L11-W1906 HydrophobicContact CD1-CZ2 4.08Å; W24-W1906 AromaticContact CH2-CE3 3.87Å; W24-W1906 HydrophobicContact CH2-CE3 3.87Å; W24-W1906 HydrophobicContact CH2-CZ3 4.42Å; W24-W1906 HydrophobicContact CZ3-CB 4.37Å; W24-W1906 AromaticContact CZ3-CD2 3.86Å; W24-W1906 HydrophobicContact CZ3-CD2 3.86Å; W24-W1906 AromaticContact CZ3-CE3 3.59Å; W24-W1906 HydrophobicContact CZ3-CE3 3.59Å; W24-W1906 HydrophobicContact CZ3-CG 4.21Å; W24-W1906 HydrophobicContact CZ3-CZ3 4.18Å; L1902-W1906 WeakPolarHBondContact O-CB 3.43Å; L1902-W1906 PolarHBondContact O-N 3.4Å; K1904-W1906 PolarHBondContact O-N 2.94Å; W1906-Y1908 VanDerWaalsContact C-N 3.31Å; W1906-L1909 PolarHBondContact O-N 3.24Å; W1906-F1913 HydrophobicContact CH2-CD2 4.09Å; W1906-F1913 AromaticContact CH2-CE2 3.93Å; W1906-F1913 HydrophobicContact CH2-CE2 3.93Å; W1906-H1917 AromaticContact CD2-CD2 3.74Å; W1906-H1917 AromaticContact CE2-CD2 3.7Å; W1906-H1917 HydrophobicContact CE3-CB 4.35Å; W1906-H1917 AromaticContact CE3-CD2 3.69Å; W1906-H1917 HydrophobicContact CH2-CB 3.81Å; W1906-H1917 AromaticContact CH2-CD2 3.65Å; W1906-H1917 AromaticContact CZ2-CD2 3.67Å; W1906-H1917 HydrophobicContact CZ3-CB 3.63Å; W1906-H1917 AromaticContact CZ3-CD2 3.65Å; W1906-M1920 HydrophobicContact CE3-CB 3.97Å; W1906-M1920 HydrophobicContact CZ3-CB 4.39Å; W1906-L1921 HydrophobicContact CH2-CD2 4.16Å; W1906-L1921 HydrophobicContact CH2-CG 4.23Å; W1906-L1921 HydrophobicContact CZ3-CD2 3.89Å; W1906-L1921 HydrophobicContact CZ3-CG 3.85Å
1907R81.3Confident80.5Confident23 Ų2329.6 Ų29.69%0.08717%0.165CC..Hα-helixtrans-71-26.6178.1-71.7168.6176.8175.7-0.7112.6L11 S13 N1696 I1903 K1904 E1905 L1909L11-R1907 PolarHBondContact O-NE 3.28Å; S13-R1907 PolarHBondContact O-NH2 3.34Å; N1696-R1907 PolarHBondContact ND2-O 3.46Å; I1903-R1907 VanDerWaalsContact O-CG 3.28Å; I1903-R1907 WeakPolarHBondContact O-CG 3.41Å; I1903-R1907 PolarHBondContact O-N 3.06Å; I1903-R1907 VanDerWaalsContact O-N 3.12Å; K1904-R1907 WeakPolarHBondContact O-CB 3.38Å; K1904-R1907 PolarHBondContact O-N 3.27Å; K1904-R1907 VanDerWaalsContact O-N 3.16Å; E1905-R1907 VanDerWaalsContact C-N 3.26Å; E1905-R1907 PolarHBondContact O-N 3.26Å; R1907-L1909 VanDerWaalsContact C-N 3.33Å
1908Y78.3Confident80.3Confident35 Ų3528.1 Ų28.114%0.13715%0.154CC..Hα-helixtrans-72.6-25.6175.4-61.7-36.4000113.1R1660 N1696 W1698 K1904 E1905 W1906R1660-Y1908 HydrophobicContact CG-CD1 4.34Å; R1660-Y1908 HydrophobicContact CG-CE1 3.69Å; R1660-Y1908 VanDerWaalsContact NE-CZ 3.28Å; R1660-Y1908 PolarHBondContact NE-OH 3.02Å; N1696-Y1908 PolarHBondContact OD1-O 3.05Å; W1698-Y1908 PolarHBondContact NE1-O 3.41Å; K1904-Y1908 HydrophobicContact CB-CE2 4.4Å; K1904-Y1908 WeakPolarHBondContact O-CD2 3.39Å; K1904-Y1908 PolarHBondContact O-N 3.25Å; E1905-Y1908 PolarHBondContact O-N 3.33Å; E1905-Y1908 VanDerWaalsContact O-N 3.09Å; E1905-Y1908 WeakPolarHBondContact OE1-CE2 3.44Å; W1906-Y1908 VanDerWaalsContact C-N 3.31Å
1909L79.5Confident80.1Confident13 Ų1332.7 Ų32.77%0.06817%0.174CC..SBendtrans-75.2159.3179.4-68.9172.1000113.3R12 N1696 E1905 W1906 R1907 H1917 M1920R12-L1909 PolarHBondContact NH2-O 3.3Å; N1696-L1909 PolarHBondContact ND2-O 3.29Å; N1696-L1909 PolarHBondContact OD1-O 2.93Å; E1905-L1909 PolarHBondContact O-N 2.97Å; W1906-L1909 PolarHBondContact O-N 3.24Å; R1907-L1909 VanDerWaalsContact C-N 3.33Å; L1909-H1917 VanDerWaalsContact CB-NE2 3.32Å; L1909-H1917 WeakPolarHBondContact CB-NE2 3.36Å; L1909-M1920 HydrophobicContact CD1-CG 4.16Å
1910P76.7Confident80.1Confident7 Ų733 Ų335%0.04517%0.174CC..  trans-56.6152.8178.5-24.633.2000114R12 W1698 H1699 L1742 I1912 H1917 T2503R12-P1910 PolarHBondContact NH2-O 3.39Å; W1698-P1910 HydrophobicContact CB-CG 4.01Å; W1698-P1910 HydrophobicContact CG-CG 3.93Å; H1699-P1910 WeakPolarHBondContact NE2-CG 3.41Å; L1742-P1910 HydrophobicContact CD2-CG 3.65Å; P1910-I1912 PolarHBondContact O-N 3.12Å; P1910-H1917 PolarHBondContact O-CE1 2.93Å; P1910-H1917 PolarHBondContact O-NE2 3.07Å; P1910-T2503 HydrophobicContact CB-CG2 4.27Å
1911S73.2Confident79.9Confident69 Ų6931.3 Ų31.348%0.48316%0.162SC..SBendtrans-59.6-32.3179.751.70000115.2R12R12-S1911 VanDerWaalsContact NH1-CA 3.35Å
1912I72.9Confident79.8Confident16 Ų1630.1 Ų30.18%0.08216%0.155CC..SBendtrans-79.7133.6176.9-65.2176.2000108.7E42 P1910 G1914 H1917 T2503 D2504E42-I1912 HydrophobicContact CB-CG2 4.15Å; E42-I1912 HydrophobicContact CG-CG2 4.34Å; E42-I1912 VanDerWaalsContact OE2-CA 3.23Å; E42-I1912 WeakPolarHBondContact OE2-CA 3.48Å; E42-I1912 WeakPolarHBondContact OE2-CB 3.48Å; E42-I1912 WeakPolarHBondContact OE2-CG2 3.45Å; P1910-I1912 PolarHBondContact O-N 3.12Å; I1912-G1914 PolarHBondContact O-N 3.43Å; I1912-H1917 PolarHBondContact O-CE1 3.27Å; I1912-H1917 VanDerWaalsContact O-CE1 3.28Å; I1912-T2503 HydrophobicContact CB-CG2 3.82Å; I1912-T2503 HydrophobicContact CD1-CG2 3.29Å; I1912-T2503 HydrophobicContact CG1-CG2 3.62Å; I1912-D2504 VanDerWaalsContact CD1-OD1 3.24Å; I1912-D2504 WeakPolarHBondContact CD1-OD1 3.37Å
1913F76.4Confident79.5Confident35 Ų3532 Ų3215%0.15416%0.164CC..  trans-59.8133.2174-172.1-82.8000110.5W8 L38 E42 W1906 H1917 L1918 L1921W8-F1913 HydrophobicContact CE3-CB 4.33Å; W8-F1913 HydrophobicContact CH2-CB 4.13Å; W8-F1913 HydrophobicContact CH2-CD2 4.15Å; W8-F1913 HydrophobicContact CH2-CG 4.18Å; W8-F1913 AromaticContact CZ2-CD2 3.9Å; W8-F1913 HydrophobicContact CZ2-CD2 3.9Å; W8-F1913 HydrophobicContact CZ2-CE2 4.42Å; W8-F1913 HydrophobicContact CZ2-CG 4.39Å; W8-F1913 HydrophobicContact CZ3-CB 3.92Å; W8-F1913 HydrophobicContact CZ3-CG 4.44Å; L38-F1913 HydrophobicContact CD1-CD1 3.81Å; L38-F1913 HydrophobicContact CD1-CD2 4.42Å; L38-F1913 HydrophobicContact CD1-CE1 3.3Å; L38-F1913 HydrophobicContact CD1-CE2 3.94Å; L38-F1913 HydrophobicContact CD1-CG 4.35Å; L38-F1913 HydrophobicContact CD1-CZ 3.37Å; E42-F1913 WeakPolarHBondContact OE1-CB 3.4Å; E42-F1913 PolarHBondContact OE1-N 2.92Å; E42-F1913 VanDerWaalsContact OE1-N 3.11Å; W1906-F1913 HydrophobicContact CH2-CD2 4.09Å; W1906-F1913 AromaticContact CH2-CE2 3.93Å; W1906-F1913 HydrophobicContact CH2-CE2 3.93Å; F1913-H1917 HydrophobicContact CD2-CB 3.76Å; F1913-H1917 HydrophobicContact CE1-CB 4.5Å; F1913-H1917 HydrophobicContact CE2-CB 3.42Å; F1913-H1917 VanDerWaalsContact CE2-CB 3.42Å; F1913-H1917 HydrophobicContact CG-CB 4.45Å; F1913-H1917 HydrophobicContact CZ-CB 3.83Å; F1913-L1918 HydrophobicContact CE1-CD2 3.86Å; F1913-L1918 HydrophobicContact CE1-CG 3.86Å; F1913-L1918 HydrophobicContact CZ-CD2 3.56Å; F1913-L1918 HydrophobicContact CZ-CG 3.75Å; F1913-L1921 HydrophobicContact CE2-CD1 3.83Å; F1913-L1921 HydrophobicContact CZ-CD1 4.13Å
1914G76.1Confident79.4Confident20 Ų2031.5 Ų31.521%0.20616%0.163CC..  trans-149.4175.3-175.700000111.8I1912 G1916 H1917I1912-G1914 PolarHBondContact O-N 3.43Å; G1914-G1916 PolarHBondContact O-N 3.49Å; G1914-H1917 PolarHBondContact N-ND1 2.82Å; G1914-H1917 VanDerWaalsContact N-ND1 3.19Å; G1914-H1917 WeakPolarHBondContact O-CB 3.35Å; G1914-H1917 PolarHBondContact O-N 3.01Å
1915P76.5Confident79.5Confident35 Ų3527.3 Ų27.323%0.22714%0.144CC..Hα-helixtrans-58.9-32.4-173.920-29.6000113.5G1743 E1744 H1917 L1918G1743-P1915 WeakPolarHBondContact O-CB 3.14Å; G1743-P1915 VanDerWaalsContact O-CG 3.32Å; G1743-P1915 WeakPolarHBondContact O-CG 3.27Å; E1744-P1915 HydrophobicContact CG-CG 4.38Å; E1744-P1915 WeakPolarHBondContact OE1-CD 3.3Å; E1744-P1915 VanDerWaalsContact OE1-CG 3.31Å; E1744-P1915 WeakPolarHBondContact OE1-CG 3.38Å; P1915-H1917 VanDerWaalsContact C-N 3.26Å; P1915-H1917 PolarHBondContact O-N 3.43Å; P1915-L1918 WeakPolarHBondContact O-CB 3.48Å; P1915-L1918 PolarHBondContact O-N 2.87Å; P1915-L1918 VanDerWaalsContact O-N 3.13Å
1916G77Confident79.5Confident6 Ų624.2 Ų24.26%0.06213%0.13CC..Hα-helixtrans-59-32173.100000114.3L1742 G1914L1742-G1916 WeakPolarHBondContact O-CA 2.98Å; L1742-G1916 PolarHBondContact O-N 2.9Å; G1914-G1916 PolarHBondContact O-N 3.49Å
1917H83.5Confident79.5Confident4 Ų424.1 Ų24.12%0.01913%0.13CC..Hα-helixtrans-72.9-28.7177.6-6595.4000112.5W1906 L1909 P1910 I1912 F1913 G1914 P1915 K1919 M1920 L1921W1906-H1917 AromaticContact CD2-CD2 3.74Å; W1906-H1917 AromaticContact CE2-CD2 3.7Å; W1906-H1917 HydrophobicContact CE3-CB 4.35Å; W1906-H1917 AromaticContact CE3-CD2 3.69Å; W1906-H1917 HydrophobicContact CH2-CB 3.81Å; W1906-H1917 AromaticContact CH2-CD2 3.65Å; W1906-H1917 AromaticContact CZ2-CD2 3.67Å; W1906-H1917 HydrophobicContact CZ3-CB 3.63Å; W1906-H1917 AromaticContact CZ3-CD2 3.65Å; L1909-H1917 VanDerWaalsContact CB-NE2 3.32Å; L1909-H1917 WeakPolarHBondContact CB-NE2 3.36Å; P1910-H1917 PolarHBondContact O-CE1 2.93Å; P1910-H1917 PolarHBondContact O-NE2 3.07Å; I1912-H1917 PolarHBondContact O-CE1 3.27Å; I1912-H1917 VanDerWaalsContact O-CE1 3.28Å; F1913-H1917 HydrophobicContact CD2-CB 3.76Å; F1913-H1917 HydrophobicContact CE1-CB 4.5Å; F1913-H1917 HydrophobicContact CE2-CB 3.42Å; F1913-H1917 VanDerWaalsContact CE2-CB 3.42Å; F1913-H1917 HydrophobicContact CG-CB 4.45Å; F1913-H1917 HydrophobicContact CZ-CB 3.83Å; G1914-H1917 PolarHBondContact N-ND1 2.82Å; G1914-H1917 VanDerWaalsContact N-ND1 3.19Å; G1914-H1917 WeakPolarHBondContact O-CB 3.35Å; G1914-H1917 PolarHBondContact O-N 3.01Å; P1915-H1917 VanDerWaalsContact C-N 3.26Å; P1915-H1917 PolarHBondContact O-N 3.43Å; H1917-K1919 VanDerWaalsContact C-N 3.32Å; H1917-K1919 PolarHBondContact O-N 3.27Å; H1917-M1920 PolarHBondContact O-N 3.05Å; H1917-M1920 VanDerWaalsContact O-N 3.15Å; H1917-L1921 PolarHBondContact O-N 2.68Å
1918L80.2Confident79.6Confident38 Ų3823.5 Ų23.520%0.19913%0.128CC..Hα-helixtrans-61.3-42.6177.1-68.9168.9000110.8R35 L38 F1913 P1915 M1920 L1921 R1922R35-L1918 HydrophobicContact CB-CD2 3.89Å; L38-L1918 HydrophobicContact CD1-CD2 4.36Å; F1913-L1918 HydrophobicContact CE1-CD2 3.86Å; F1913-L1918 HydrophobicContact CE1-CG 3.86Å; F1913-L1918 HydrophobicContact CZ-CD2 3.56Å; F1913-L1918 HydrophobicContact CZ-CG 3.75Å; P1915-L1918 WeakPolarHBondContact O-CB 3.48Å; P1915-L1918 PolarHBondContact O-N 2.87Å; P1915-L1918 VanDerWaalsContact O-N 3.13Å; L1918-M1920 VanDerWaalsContact C-N 3.25Å; L1918-M1920 PolarHBondContact O-N 3.42Å; L1918-L1921 PolarHBondContact O-N 3.07Å; L1918-R1922 WeakPolarHBondContact O-CB 3.4Å; L1918-R1922 WeakPolarHBondContact O-CD 3.3Å; L1918-R1922 WeakPolarHBondContact O-CG 3.22Å; L1918-R1922 PolarHBondContact O-N 3.32Å
1919K78.5Confident79.7Confident99 Ų9922 Ų2243%0.4312%0.122SC..Hα-helixtrans-56.1-41.1175-63.8-176.7-179.8-178.70111.4H1917 R1922 L1923H1917-K1919 VanDerWaalsContact C-N 3.32Å; H1917-K1919 PolarHBondContact O-N 3.27Å; K1919-R1922 PolarHBondContact O-N 3Å; K1919-L1923 WeakPolarHBondContact O-CG 3.5Å; K1919-L1923 PolarHBondContact O-N 3.07Å; K1919-L1923 VanDerWaalsContact O-N 3.09Å
1920M84.1Confident79.8Confident33 Ų3321.4 Ų21.416%0.16312%0.12CC..Hα-helixtrans-71.3-40.7179.2-60.5-59.2146.500113.4W24 L1902 E1905 W1906 L1909 H1917 L1918 R1922 L1923 G1924W24-M1920 HydrophobicContact CH2-CB 4.21Å; L1902-M1920 HydrophobicContact CD2-SD 3.9Å; E1905-M1920 HydrophobicContact CB-CE 4.25Å; E1905-M1920 HydrophobicContact CB-SD 3.93Å; W1906-M1920 HydrophobicContact CE3-CB 3.97Å; W1906-M1920 HydrophobicContact CZ3-CB 4.39Å; L1909-M1920 HydrophobicContact CD1-CG 4.16Å; H1917-M1920 PolarHBondContact O-N 3.05Å; H1917-M1920 VanDerWaalsContact O-N 3.15Å; L1918-M1920 VanDerWaalsContact C-N 3.25Å; L1918-M1920 PolarHBondContact O-N 3.42Å; M1920-R1922 VanDerWaalsContact C-N 3.31Å; M1920-R1922 PolarHBondContact O-N 2.78Å; M1920-L1923 PolarHBondContact O-N 3.38Å; M1920-G1924 PolarHBondContact O-N 3.23Å
1921L83Confident80.1Confident2 Ų222 Ų221%0.0112%0.124CC..Hα-helixtrans-64.2-37.9175.3-71.1179.1000111.9W24 L27 W1906 F1913 H1917 L1918 G1924 Q1925W24-L1921 HydrophobicContact CH2-CD2 4.46Å; W24-L1921 HydrophobicContact CZ3-CD2 4.49Å; L27-L1921 HydrophobicContact CB-CD2 4.47Å; W1906-L1921 HydrophobicContact CH2-CD2 4.16Å; W1906-L1921 HydrophobicContact CH2-CG 4.23Å; W1906-L1921 HydrophobicContact CZ3-CD2 3.89Å; W1906-L1921 HydrophobicContact CZ3-CG 3.85Å; F1913-L1921 HydrophobicContact CE2-CD1 3.83Å; F1913-L1921 HydrophobicContact CZ-CD1 4.13Å; H1917-L1921 PolarHBondContact O-N 2.68Å; L1918-L1921 PolarHBondContact O-N 3.07Å; L1921-G1924 PolarHBondContact O-N 2.97Å; L1921-Q1925 PolarHBondContact O-N 3.45Å
1922R81.1Confident80.4Confident15 Ų1519.2 Ų19.26%0.05710%0.103CC..Hα-helixtrans-63.5-47.4176.3-74171.5-174.8164.2-1.5111.4L1918 K1919 M1920 G1924 Q1925 L1926 D1974 D1975 H1978L1918-R1922 WeakPolarHBondContact O-CB 3.4Å; L1918-R1922 WeakPolarHBondContact O-CD 3.3Å; L1918-R1922 WeakPolarHBondContact O-CG 3.22Å; L1918-R1922 PolarHBondContact O-N 3.32Å; K1919-R1922 PolarHBondContact O-N 3Å; M1920-R1922 VanDerWaalsContact C-N 3.31Å; M1920-R1922 PolarHBondContact O-N 2.78Å; R1922-G1924 VanDerWaalsContact C-N 3.34Å; R1922-G1924 PolarHBondContact O-N 3.49Å; R1922-Q1925 WeakPolarHBondContact O-CB 3.42Å; R1922-Q1925 PolarHBondContact O-N 3.44Å; R1922-L1926 PolarHBondContact O-N 3.21Å; R1922-D1974 IonicContact CZ-OD1 3.78Å; R1922-D1974 IonicContact NE-OD1 3.56Å; R1922-D1974 PolarHBondContact NE-OD1 3.04Å; R1922-D1974 IonicContact NH2-OD1 3.52Å; R1922-D1975 IonicContact CZ-OD1 3.68Å; R1922-D1975 IonicContact CZ-OD2 3.46Å; R1922-D1975 IonicContact NH1-OD1 3.95Å; R1922-D1975 PolarHBondContact NH1-OD1 3.4Å; R1922-D1975 VanDerWaalsContact NH1-OD1 3.08Å; R1922-D1975 IonicContact NH1-OD2 3.3Å; R1922-D1975 PolarHBondContact NH1-OD2 2.99Å; R1922-D1975 VanDerWaalsContact NH2-N 3.14Å; R1922-D1975 IonicContact NH2-OD1 2.7Å; R1922-D1975 PolarHBondContact NH2-OD1 2.84Å; R1922-D1975 IonicContact NH2-OD2 3.56Å; R1922-H1978 HydrophobicContact CB-CB 4.5Å; R1922-H1978 WeakPolarHBondContact CB-ND1 3.26Å; R1922-H1978 HydrophobicContact CG-CB 4.33Å; R1922-H1978 PolarHBondContact O-CE1 3.26Å
1923L79.7Confident80.6Confident38 Ų3818.5 Ų18.520%0.19910%0.1CC..Hα-helixtrans-64.6-37.2173.3-69.3166.4000112.4L1869 L1902 K1919 M1920 Q1925 L1926 A1927L1869-L1923 HydrophobicContact CD2-CB 4.43Å; L1869-L1923 HydrophobicContact CD2-CD1 4.12Å; L1902-L1923 HydrophobicContact CD2-CB 3.74Å; L1902-L1923 HydrophobicContact CD2-CD1 4.36Å; K1919-L1923 WeakPolarHBondContact O-CG 3.5Å; K1919-L1923 PolarHBondContact O-N 3.07Å; K1919-L1923 VanDerWaalsContact O-N 3.09Å; M1920-L1923 PolarHBondContact O-N 3.38Å; L1923-Q1925 VanDerWaalsContact C-N 3.28Å; L1923-Q1925 PolarHBondContact O-N 3.31Å; L1923-L1926 HydrophobicContact CD2-CD1 4.49Å; L1923-L1926 PolarHBondContact O-N 3.49Å; L1923-A1927 PolarHBondContact O-N 3.25Å
1924G83.9Confident80.7Confident1 Ų117.1 Ų17.11%0.0110%0.095CC..Hα-helixtrans-63.6-30.1173.700000113.8S28 M1920 L1921 R1922 L1928S28-G1924 WeakPolarHBondContact CB-O 3.26Å; S28-G1924 PolarHBondContact OG-O 3.35Å; M1920-G1924 PolarHBondContact O-N 3.23Å; L1921-G1924 PolarHBondContact O-N 2.97Å; R1922-G1924 VanDerWaalsContact C-N 3.34Å; R1922-G1924 PolarHBondContact O-N 3.49Å; G1924-L1928 PolarHBondContact O-N 3.32Å
1925Q83.5Confident80.7Confident6 Ų619.9 Ų19.93%0.02810%0.102CC..Hα-helixtrans-67.6-47170.5-177.5-176.9-20.900110.5R35 L1921 R1922 L1923 A1927 L1928 E1929R35-Q1925 VanDerWaalsContact NH2-OE1 3.12Å; L1921-Q1925 PolarHBondContact O-N 3.45Å; R1922-Q1925 WeakPolarHBondContact O-CB 3.42Å; R1922-Q1925 PolarHBondContact O-N 3.44Å; L1923-Q1925 VanDerWaalsContact C-N 3.28Å; L1923-Q1925 PolarHBondContact O-N 3.31Å; Q1925-A1927 PolarHBondContact O-N 2.86Å; Q1925-L1928 PolarHBondContact O-N 2.69Å; Q1925-E1929 PolarHBondContact NE2-OE1 3.49Å; Q1925-E1929 WeakPolarHBondContact O-CG 3.28Å; Q1925-E1929 PolarHBondContact O-N 2.99Å
1926L80.1Confident80.6Confident10 Ų1018.7 Ų18.75%0.0529%0.093CC..Hα-helixtrans-61.7-41.5178.2-72.2168.8000112.2L1873 R1922 L1923 L1928 E1929 L1930 V1982L1873-L1926 HydrophobicContact CD1-CB 3.82Å; R1922-L1926 PolarHBondContact O-N 3.21Å; L1923-L1926 HydrophobicContact CD2-CD1 4.49Å; L1923-L1926 PolarHBondContact O-N 3.49Å; L1926-L1928 VanDerWaalsContact C-N 3.34Å; L1926-L1928 PolarHBondContact O-N 3.2Å; L1926-E1929 PolarHBondContact O-N 2.92Å; L1926-L1930 PolarHBondContact O-N 2.89Å; L1926-V1982 HydrophobicContact CD2-CB 4.26Å; L1926-V1982 HydrophobicContact CD2-CG2 3.56Å; L1926-V1982 HydrophobicContact CG-CG2 4.12Å
1927A84Confident80.6Confident1 Ų119.6 Ų19.61%0.00810%0.096CC..Hα-helixtrans-63.7-37.617600000112.5L1873 T1899 L1902 L1923 Q1925 S1931L1873-A1927 HydrophobicContact CD1-CB 4.28Å; T1899-A1927 HydrophobicContact CG2-CB 4.45Å; L1902-A1927 HydrophobicContact CD1-CB 4.31Å; L1923-A1927 PolarHBondContact O-N 3.25Å; Q1925-A1927 PolarHBondContact O-N 2.86Å; A1927-S1931 PolarHBondContact O-N 3.46Å
1928L84Confident80.2Confident11 Ų1121.2 Ų21.26%0.05811%0.105CC..Hα-helixtrans-67.5-45.1173.4179.371.3000111.1R25 S28 K29 G1924 Q1925 L1926 L1930 S1931 E1932R25-L1928 HydrophobicContact CG-CD1 4.11Å; S28-L1928 VanDerWaalsContact C-CD2 3.47Å; K29-L1928 HydrophobicContact CB-CD2 4.21Å; K29-L1928 HydrophobicContact CG-CD2 3.64Å; G1924-L1928 PolarHBondContact O-N 3.32Å; Q1925-L1928 PolarHBondContact O-N 2.69Å; L1926-L1928 VanDerWaalsContact C-N 3.34Å; L1926-L1928 PolarHBondContact O-N 3.2Å; L1928-L1930 PolarHBondContact O-N 3.23Å; L1928-S1931 PolarHBondContact O-N 2.72Å; L1928-S1931 VanDerWaalsContact O-N 3.08Å; L1928-S1931 PolarHBondContact O-OG 3.37Å; L1928-E1932 HydrophobicContact CG-CG 4.47Å; L1928-E1932 WeakPolarHBondContact O-CG 3.32Å; L1928-E1932 PolarHBondContact O-N 2.93Å
1929E79.5Confident79.7Confident2 Ų221 Ų211%0.00910%0.104CC..Hα-helixtrans-60.6-35.4177.9-73.5-168.9-158.600111.6Q1925 L1926 E1932 A1933 R1986Q1925-E1929 PolarHBondContact NE2-OE1 3.49Å; Q1925-E1929 WeakPolarHBondContact O-CG 3.28Å; Q1925-E1929 PolarHBondContact O-N 2.99Å; L1926-E1929 PolarHBondContact O-N 2.92Å; E1929-E1932 PolarHBondContact O-N 3.48Å; E1929-A1933 WeakPolarHBondContact O-CB 3.46Å; E1929-A1933 PolarHBondContact O-N 3.21Å; E1929-R1986 VanDerWaalsContact CD-NH2 3.35Å; E1929-R1986 IonicContact OE1-CZ 2.79Å; E1929-R1986 IonicContact OE1-NE 2.78Å; E1929-R1986 IonicContact OE1-NH2 3.45Å; E1929-R1986 PolarHBondContact OE1-NH2 3.07Å; E1929-R1986 IonicContact OE2-CZ 2.59Å; E1929-R1986 IonicContact OE2-NE 3.21Å; E1929-R1986 PolarHBondContact OE2-NE 3.39Å; E1929-R1986 IonicContact OE2-NH2 3.9Å; E1929-R1986 PolarHBondContact OE2-NH2 3.27Å
1930L81.6Confident79.3Confident2 Ų217.2 Ų17.21%0.019%0.088CC..Hα-helixtrans-62.5-43.9172.1178.161000112.3F1880 I1891 V1895 L1926 L1928 A1933 S1934 W1985F1880-L1930 HydrophobicContact CE2-CD1 3.51Å; F1880-L1930 HydrophobicContact CZ-CD1 3.98Å; I1891-L1930 HydrophobicContact CG2-CD1 4.09Å; I1891-L1930 HydrophobicContact CG2-CG 4.05Å; V1895-L1930 HydrophobicContact CG2-CB 4.26Å; V1895-L1930 HydrophobicContact CG2-CD2 3.66Å; V1895-L1930 HydrophobicContact CG2-CG 3.8Å; L1926-L1930 PolarHBondContact O-N 2.89Å; L1928-L1930 PolarHBondContact O-N 3.23Å; L1930-A1933 PolarHBondContact O-N 3.22Å; L1930-S1934 PolarHBondContact O-N 2.96Å; L1930-S1934 PolarHBondContact O-OG 2.93Å; L1930-W1985 HydrophobicContact CB-CZ2 4.47Å; L1930-W1985 HydrophobicContact CD1-CZ2 4.18Å
1931S83.5Confident78.5Confident19 Ų1919.4 Ų19.413%0.13310%0.1CC..Hα-helixtrans-66-36.4176.471.60000113.3A1927 L1928 S1934 E1935A1927-S1931 PolarHBondContact O-N 3.46Å; L1928-S1931 PolarHBondContact O-N 2.72Å; L1928-S1931 VanDerWaalsContact O-N 3.08Å; L1928-S1931 PolarHBondContact O-OG 3.37Å; S1931-S1934 WeakPolarHBondContact CA-OG 3.46Å; S1931-S1934 PolarHBondContact O-N 2.93Å; S1931-S1934 PolarHBondContact O-OG 3.35Å; S1931-E1935 WeakPolarHBondContact O-CG 3.46Å; S1931-E1935 PolarHBondContact O-N 2.97Å; S1931-E1935 VanDerWaalsContact O-N 3.11Å
1932E79Confident77.8Confident10 Ų1026.8 Ų26.85%0.04713%0.127CC..Hα-helixtrans-72.7-35.2175.6-68.8177.9-178.900111.1L1928 E1929 S1934 E1935 Y1936 W1961 R1966L1928-E1932 HydrophobicContact CG-CG 4.47Å; L1928-E1932 WeakPolarHBondContact O-CG 3.32Å; L1928-E1932 PolarHBondContact O-N 2.93Å; E1929-E1932 PolarHBondContact O-N 3.48Å; E1932-S1934 VanDerWaalsContact C-N 3.35Å; E1932-E1935 PolarHBondContact O-N 2.96Å; E1932-Y1936 WeakPolarHBondContact O-CB 3.2Å; E1932-Y1936 PolarHBondContact O-N 3.06Å; E1932-W1961 HydrophobicContact CB-CZ2 4.39Å; E1932-W1961 PolarHBondContact OE2-NE1 3.29Å; E1932-R1966 IonicContact OE1-CZ 3.51Å; E1932-R1966 IonicContact OE1-NH1 2.7Å; E1932-R1966 PolarHBondContact OE1-NH1 3.38Å; E1932-R1966 IonicContact OE1-NH2 2.68Å; E1932-R1966 PolarHBondContact OE1-NH2 3.43Å; E1932-R1966 IonicContact OE2-CZ 3.73Å; E1932-R1966 IonicContact OE2-NH1 2.8Å; E1932-R1966 PolarHBondContact OE2-NH1 3.01Å; E1932-R1966 IonicContact OE2-NH2 3.51Å; E1932-R1966 PolarHBondContact OE2-NH2 3.44Å
1933A78Confident76.9Confident1 Ų128.7 Ų28.71%0.00814%0.139CC..Hα-helixtrans-65.6-36.4173.800000111.6F1880 E1929 L1930 Y1936 H1937 W1961 Y1989F1880-A1933 HydrophobicContact CE2-CB 4.37Å; F1880-A1933 HydrophobicContact CZ-CB 3.93Å; E1929-A1933 WeakPolarHBondContact O-CB 3.46Å; E1929-A1933 PolarHBondContact O-N 3.21Å; L1930-A1933 PolarHBondContact O-N 3.22Å; A1933-Y1936 PolarHBondContact O-N 3.26Å; A1933-H1937 VanDerWaalsContact O-CB 3.23Å; A1933-H1937 WeakPolarHBondContact O-CB 3.4Å; A1933-H1937 PolarHBondContact O-N 3.33Å; A1933-W1961 HydrophobicContact CB-CH2 3.86Å; A1933-W1961 HydrophobicContact CB-CZ2 4.04Å; A1933-Y1989 HydrophobicContact CB-CD2 4.45Å; A1933-Y1989 HydrophobicContact CB-CE1 4.15Å; A1933-Y1989 HydrophobicContact CB-CE2 4.02Å; A1933-Y1989 PolarHBondContact O-OH 3.14Å
1934S77.8Confident76.1Confident7 Ų730.6 Ų30.65%0.04915%0.152CC..Hα-helixtrans-67.9-42.6173.259.20000112.2L1930 S1931 E1932 Y1936 H1937 V1938L1930-S1934 PolarHBondContact O-N 2.96Å; L1930-S1934 PolarHBondContact O-OG 2.93Å; S1931-S1934 WeakPolarHBondContact CA-OG 3.46Å; S1931-S1934 PolarHBondContact O-N 2.93Å; S1931-S1934 PolarHBondContact O-OG 3.35Å; E1932-S1934 VanDerWaalsContact C-N 3.35Å; S1934-Y1936 VanDerWaalsContact C-N 3.31Å; S1934-Y1936 PolarHBondContact O-N 3.49Å; S1934-H1937 PolarHBondContact O-N 2.8Å; S1934-V1938 WeakPolarHBondContact O-CB 3.43Å; S1934-V1938 VanDerWaalsContact O-CG2 3.3Å; S1934-V1938 WeakPolarHBondContact O-CG2 3.45Å; S1934-V1938 PolarHBondContact O-N 3.23Å
1935E77.2Confident74.8Confident77 Ų7734.3 Ų34.336%0.3618%0.178SC..Hα-helixtrans-58-45.2172.5-73.5177.9-168.700110.8R25 S1931 E1932 Q1939R25-E1935 IonicContact NH2-OE1 3.79Å; S1931-E1935 WeakPolarHBondContact O-CG 3.46Å; S1931-E1935 PolarHBondContact O-N 2.97Å; S1931-E1935 VanDerWaalsContact O-N 3.11Å; E1932-E1935 PolarHBondContact O-N 2.96Å; E1935-Q1939 WeakPolarHBondContact O-CB 3.44Å; E1935-Q1939 VanDerWaalsContact O-CG 3.23Å; E1935-Q1939 WeakPolarHBondContact O-CG 3.07Å; E1935-Q1939 PolarHBondContact O-N 2.95Å
1936Y74.3Confident73.4Confident11 Ų1137 Ų374%0.04321%0.207CC..Hα-helixtrans-63.6-45.3177-170.3-92.3000112.5E1932 A1933 S1934 Q1939 L1940 L1954 L1957 Q1958 Y1989 L1993E1932-Y1936 WeakPolarHBondContact O-CB 3.2Å; E1932-Y1936 PolarHBondContact O-N 3.06Å; A1933-Y1936 PolarHBondContact O-N 3.26Å; S1934-Y1936 VanDerWaalsContact C-N 3.31Å; S1934-Y1936 PolarHBondContact O-N 3.49Å; Y1936-Q1939 PolarHBondContact O-N 3.12Å; Y1936-L1940 HydrophobicContact CD1-CD1 4.44Å; Y1936-L1940 HydrophobicContact CE1-CD1 3.59Å; Y1936-L1940 WeakPolarHBondContact O-CB 3.46Å; Y1936-L1940 PolarHBondContact O-N 3.12Å; Y1936-L1954 HydrophobicContact CD2-CD2 3.4Å; Y1936-L1954 VanDerWaalsContact CD2-CD2 3.4Å; Y1936-L1954 HydrophobicContact CE2-CB 4.44Å; Y1936-L1954 HydrophobicContact CE2-CD2 3.29Å; Y1936-L1954 HydrophobicContact CE2-CG 4.46Å; Y1936-L1954 HydrophobicContact CG-CD2 4.11Å; Y1936-L1957 HydrophobicContact CD2-CB 4.14Å; Y1936-L1957 HydrophobicContact CD2-CD1 4.2Å; Y1936-Q1958 HydrophobicContact CE2-CG 4.05Å; Y1936-Q1958 PolarHBondContact OH-NE2 3.27Å; Y1936-Y1989 HydrophobicContact CD1-CE1 4.26Å; Y1936-L1993 HydrophobicContact CD1-CD1 3.97Å; Y1936-L1993 HydrophobicContact CE1-CD1 3.63Å
1937H76.1Confident71.9Confident25 Ų2544.9 Ų44.912%0.11624%0.237CC..Hα-helixtrans-60.6-47.7179.5-169.882.3000111.5F1880 A1933 S1934 Q1939 L1940 L1941 Y1989F1880-H1937 HydrophobicContact CD1-CB 4.16Å; F1880-H1937 AromaticContact CD1-CG 3.79Å; F1880-H1937 AromaticContact CD1-ND1 3.9Å; F1880-H1937 HydrophobicContact CE1-CB 3.78Å; F1880-H1937 AromaticContact CE1-CG 3.95Å; A1933-H1937 VanDerWaalsContact O-CB 3.23Å; A1933-H1937 WeakPolarHBondContact O-CB 3.4Å; A1933-H1937 PolarHBondContact O-N 3.33Å; S1934-H1937 PolarHBondContact O-N 2.8Å; H1937-Q1939 PolarHBondContact O-N 2.89Å; H1937-L1940 PolarHBondContact O-N 2.7Å; H1937-L1941 WeakPolarHBondContact O-CG 3.45Å; H1937-L1941 PolarHBondContact O-N 3.46Å; H1937-Y1989 WeakPolarHBondContact CB-OH 3.48Å; H1937-Y1989 PolarHBondContact N-OH 2.93Å
1938V74.3Confident70.5Confident37 Ų3753.1 Ų53.122%0.22428%0.276CS..Hα-helixtrans-63.3-41.1177.4172.60000111.1S1934 R1942S1934-V1938 WeakPolarHBondContact O-CB 3.43Å; S1934-V1938 VanDerWaalsContact O-CG2 3.3Å; S1934-V1938 WeakPolarHBondContact O-CG2 3.45Å; S1934-V1938 PolarHBondContact O-N 3.23Å; V1938-R1942 VanDerWaalsContact O-CG 3.26Å; V1938-R1942 WeakPolarHBondContact O-CG 3.39Å; V1938-R1942 PolarHBondContact O-N 3.46Å; V1938-R1942 VanDerWaalsContact O-N 3.15Å
1939Q70.6Confident69Low35 Ų3558.8 Ų58.816%0.16431%0.311CS..Hα-helixtrans-66.7-36.3177.1-74.2176.914.300112.8E1935 Y1936 H1937 R1942 L1943 L1954E1935-Q1939 WeakPolarHBondContact O-CB 3.44Å; E1935-Q1939 VanDerWaalsContact O-CG 3.23Å; E1935-Q1939 WeakPolarHBondContact O-CG 3.07Å; E1935-Q1939 PolarHBondContact O-N 2.95Å; Y1936-Q1939 PolarHBondContact O-N 3.12Å; H1937-Q1939 PolarHBondContact O-N 2.89Å; Q1939-R1942 PolarHBondContact O-N 2.89Å; Q1939-L1943 PolarHBondContact O-N 3.33Å; Q1939-L1943 VanDerWaalsContact O-N 3.15Å; Q1939-L1954 HydrophobicContact CB-CD1 4.48Å; Q1939-L1954 HydrophobicContact CB-CD2 3.84Å; Q1939-L1954 HydrophobicContact CB-CG 4.17Å
1940L69.4Low67.7Low18 Ų1859.8 Ų59.89%0.09432%0.318CS..Hα-helixtrans-73.1-40.1179.3-162.6138.8000111.7Y1936 H1937 R1942 L1943 T1944 L1993 T1997 I2008Y1936-L1940 HydrophobicContact CD1-CD1 4.44Å; Y1936-L1940 HydrophobicContact CE1-CD1 3.59Å; Y1936-L1940 WeakPolarHBondContact O-CB 3.46Å; Y1936-L1940 PolarHBondContact O-N 3.12Å; H1937-L1940 PolarHBondContact O-N 2.7Å; L1940-R1942 PolarHBondContact O-N 3.41Å; L1940-L1943 WeakPolarHBondContact O-CB 3.39Å; L1940-L1943 PolarHBondContact O-N 2.96Å; L1940-T1944 PolarHBondContact O-N 3.49Å; L1940-T1944 VanDerWaalsContact O-N 3.09Å; L1940-T1944 PolarHBondContact O-OG1 3.07Å; L1940-L1993 HydrophobicContact CD2-CD2 4.36Å; L1940-T1997 HydrophobicContact CD2-CG2 4.28Å; L1940-I2008 HydrophobicContact CD1-CD1 4.44Å
1941L68.6Low66.5Low79 Ų7962.3 Ų62.341%0.41433%0.334SS..Hα-helixtrans-60.6-32.6170.8-73.1172.2000112.6H1937 T1944 S1945H1937-L1941 WeakPolarHBondContact O-CG 3.45Å; H1937-L1941 PolarHBondContact O-N 3.46Å; L1941-T1944 WeakPolarHBondContact CA-OG1 3.29Å; L1941-T1944 PolarHBondContact O-OG1 3.46Å; L1941-S1945 PolarHBondContact O-OG 3.33Å
1942R66.7Low65.3Low157 Ų15765.7 Ų65.759%0.59235%0.354SS*.Hα-helixtrans-72.6-26.6173-72.4173.5-175.1-172.83.4113.5V1938 Q1939 L1940 S1945V1938-R1942 VanDerWaalsContact O-CG 3.26Å; V1938-R1942 WeakPolarHBondContact O-CG 3.39Å; V1938-R1942 PolarHBondContact O-N 3.46Å; V1938-R1942 VanDerWaalsContact O-N 3.15Å; Q1939-R1942 PolarHBondContact O-N 2.89Å; L1940-R1942 PolarHBondContact O-N 3.41Å; R1942-S1945 WeakPolarHBondContact CA-OG 3.32Å; R1942-S1945 PolarHBondContact O-OG 3.16Å
1943L63.1Low64.3Low56 Ų5669.4 Ų69.429%0.29337%0.374SS..Hα-helixtrans-75.3-41174.5-82.8-177.5000111.9Q1939 L1940 S1945 G1946 Y1947 S1950 T1951 L1954Q1939-L1943 PolarHBondContact O-N 3.33Å; Q1939-L1943 VanDerWaalsContact O-N 3.15Å; L1940-L1943 WeakPolarHBondContact O-CB 3.39Å; L1940-L1943 PolarHBondContact O-N 2.96Å; L1943-S1945 PolarHBondContact O-N 2.9Å; L1943-S1945 VanDerWaalsContact O-N 3.14Å; L1943-G1946 PolarHBondContact O-N 2.99Å; L1943-G1946 VanDerWaalsContact O-N 3.07Å; L1943-Y1947 WeakPolarHBondContact CD2-O 3.35Å; L1943-S1950 WeakPolarHBondContact CD2-OG 3.3Å; L1943-S1950 WeakPolarHBondContact CG-OG 3.4Å; L1943-T1951 HydrophobicContact CD2-CG2 4.08Å; L1943-L1954 HydrophobicContact CD1-CD1 3.07Å; L1943-L1954 HydrophobicContact CG-CD1 3.86Å
1944T62Low63.6Low77 Ų7769.7 Ų69.747%0.47238%0.375SS..THydrogen-bonded Turntrans-63.1-15.9175.846.30000112.6L1940 L1941L1940-T1944 PolarHBondContact O-N 3.49Å; L1940-T1944 VanDerWaalsContact O-N 3.09Å; L1940-T1944 PolarHBondContact O-OG1 3.07Å; L1941-T1944 WeakPolarHBondContact CA-OG1 3.29Å; L1941-T1944 PolarHBondContact O-OG1 3.46Å
1945S58.1Low63Low80 Ų8074.1 Ų74.156%0.55939%0.393SS*.THydrogen-bonded Turntrans-98.510.6174.155.50000115.5L1941 R1942 L1943L1941-S1945 PolarHBondContact O-OG 3.33Å; R1942-S1945 WeakPolarHBondContact CA-OG 3.32Å; R1942-S1945 PolarHBondContact O-OG 3.16Å; L1943-S1945 PolarHBondContact O-N 2.9Å; L1943-S1945 VanDerWaalsContact O-N 3.14Å
1946G53.3Low62.5Low63 Ų6373.8 Ų73.865%0.64939%0.394SS*.THydrogen-bonded Turntrans1018.8159.900000118.8L1943L1943-G1946 PolarHBondContact O-N 2.99Å; L1943-G1946 VanDerWaalsContact O-N 3.07Å
1947Y49.2Very low62.1Low174 Ų17474.2 Ų74.268%0.68240%0.397SS*.  trans-97.9113.9178.6-74.9-82.9000113.1L1943 T1949L1943-Y1947 WeakPolarHBondContact CD2-O 3.35Å; Y1947-T1949 PolarHBondContact O-N 2.88Å
1948Q53.6Low61.5Low175 Ų17574.8 Ų74.882%0.81840%0.4SS*.G310 helixtrans-75.5-10.8-173.1-68.5-172.9-6.200116.1S1950Q1948-S1950 PolarHBondContact O-N 3.18Å
1949T52.8Low61.1Low130 Ų13081.3 Ų81.380%0.79842%0.42SS*.G310 helixtrans-78.4-10-171.343.10000115.4Y1947Y1947-T1949 PolarHBondContact O-N 2.88Å
1950S53.6Low61Low23 Ų2383.2 Ų83.216%0.16143%0.431CS..G310 helixtrans-923.2-175.856.70000115.8L1943 Q1948 V1952L1943-S1950 WeakPolarHBondContact CD2-OG 3.3Å; L1943-S1950 WeakPolarHBondContact CG-OG 3.4Å; Q1948-S1950 PolarHBondContact O-N 3.18Å; S1950-V1952 VanDerWaalsContact C-N 3.3Å; S1950-V1952 PolarHBondContact O-N 3.13Å
1951T55.1Low60.8Low54 Ų5483.1 Ų83.133%0.33143%0.43SS..Hα-helixtrans-71.4-18-17460.50000115.1L1943 K1955L1943-T1951 HydrophobicContact CD2-CG2 4.08Å; T1951-K1955 WeakPolarHBondContact O-CG 3.48Å; T1951-K1955 PolarHBondContact O-N 2.99Å
1952V59.5Low60.3Low91 Ų9181.5 Ų81.555%0.55243%0.432SS*.Hα-helixtrans-76.8-41.2179.1179.50000111.5S1950 K1955 N1956S1950-V1952 VanDerWaalsContact C-N 3.3Å; S1950-V1952 PolarHBondContact O-N 3.13Å; V1952-K1955 WeakPolarHBondContact O-CB 3.19Å; V1952-K1955 PolarHBondContact O-N 3.28Å; V1952-N1956 PolarHBondContact O-N 3.45Å; V1952-N1956 VanDerWaalsContact O-N 3.12Å
1953D57.3Low60Low87 Ų8774.9 Ų74.947%0.46541%0.41SS..Hα-helixtrans-69.4-39-178.7-65.6-30000111.8K1955 N1956 L1957D1953-K1955 VanDerWaalsContact C-N 3.33Å; D1953-K1955 PolarHBondContact O-N 2.94Å; D1953-N1956 WeakPolarHBondContact O-CB 3.38Å; D1953-N1956 PolarHBondContact O-N 3.15Å; D1953-N1956 VanDerWaalsContact O-N 3.1Å; D1953-L1957 PolarHBondContact O-N 2.87Å
1954L62.2Low59.4Low8 Ų875.5 Ų75.54%0.04242%0.417CS..Hα-helixtrans-62.6-37.8173-72.8162.3000112.2Y1936 Q1939 L1943 N1956 L1957 Q1958Y1936-L1954 HydrophobicContact CD2-CD2 3.4Å; Y1936-L1954 VanDerWaalsContact CD2-CD2 3.4Å; Y1936-L1954 HydrophobicContact CE2-CB 4.44Å; Y1936-L1954 HydrophobicContact CE2-CD2 3.29Å; Y1936-L1954 HydrophobicContact CE2-CG 4.46Å; Y1936-L1954 HydrophobicContact CG-CD2 4.11Å; Q1939-L1954 HydrophobicContact CB-CD1 4.48Å; Q1939-L1954 HydrophobicContact CB-CD2 3.84Å; Q1939-L1954 HydrophobicContact CB-CG 4.17Å; L1943-L1954 HydrophobicContact CD1-CD1 3.07Å; L1943-L1954 HydrophobicContact CG-CD1 3.86Å; L1954-N1956 VanDerWaalsContact C-N 3.32Å; L1954-N1956 PolarHBondContact O-N 3.47Å; L1954-L1957 PolarHBondContact O-N 3.47Å; L1954-Q1958 VanDerWaalsContact O-CB 3.3Å; L1954-Q1958 WeakPolarHBondContact O-CB 3.19Å; L1954-Q1958 WeakPolarHBondContact O-CG 3.46Å; L1954-Q1958 PolarHBondContact O-N 3.31Å
1955K66.2Low58.7Low99 Ų9976.8 Ų76.843%0.4342%0.421SS..Hα-helixtrans-65-35.7173.5-80.7-179.8179.7178.10112T1951 V1952 D1953 R1959T1951-K1955 WeakPolarHBondContact O-CG 3.48Å; T1951-K1955 PolarHBondContact O-N 2.99Å; V1952-K1955 WeakPolarHBondContact O-CB 3.19Å; V1952-K1955 PolarHBondContact O-N 3.28Å; D1953-K1955 VanDerWaalsContact C-N 3.33Å; D1953-K1955 PolarHBondContact O-N 2.94Å; K1955-R1959 WeakPolarHBondContact O-CB 3.43Å; K1955-R1959 VanDerWaalsContact O-CG 3.27Å; K1955-R1959 WeakPolarHBondContact O-CG 3.35Å; K1955-R1959 PolarHBondContact O-N 2.94Å
1956N67.1Low58.7Low70 Ų7074.1 Ų74.137%0.37440%0.398SS..Hα-helixtrans-69.2-44177.1-71-24.9000111.4V1952 D1953 L1954 R1959 L1960V1952-N1956 PolarHBondContact O-N 3.45Å; V1952-N1956 VanDerWaalsContact O-N 3.12Å; D1953-N1956 WeakPolarHBondContact O-CB 3.38Å; D1953-N1956 PolarHBondContact O-N 3.15Å; D1953-N1956 VanDerWaalsContact O-N 3.1Å; L1954-N1956 VanDerWaalsContact C-N 3.32Å; L1954-N1956 PolarHBondContact O-N 3.47Å; N1956-R1959 PolarHBondContact O-N 3.41Å; N1956-L1960 WeakPolarHBondContact O-CB 3.38Å; N1956-L1960 PolarHBondContact O-N 2.9Å
1957L64.5Low58.6Low21 Ų2172.4 Ų72.411%0.1137%0.374CS..Hα-helixtrans-63.7-40.6173.9-71.3173.2000111.9Y1936 D1953 L1954 L1960 W1961Y1936-L1957 HydrophobicContact CD2-CB 4.14Å; Y1936-L1957 HydrophobicContact CD2-CD1 4.2Å; D1953-L1957 PolarHBondContact O-N 2.87Å; L1954-L1957 PolarHBondContact O-N 3.47Å; L1957-L1960 HydrophobicContact CD2-CD1 4.41Å; L1957-L1960 WeakPolarHBondContact O-CB 3.28Å; L1957-L1960 PolarHBondContact O-N 3.25Å; L1957-W1961 PolarHBondContact O-N 3Å
1958Q64.2Low58.8Low36 Ų3668.3 Ų68.317%0.16836%0.361CS..Hα-helixtrans-63.2-41.7173.3-75.3173-3.600112.4Y1936 L1954 L1960 G1962 M2011Y1936-Q1958 HydrophobicContact CE2-CG 4.05Å; Y1936-Q1958 PolarHBondContact OH-NE2 3.27Å; L1954-Q1958 VanDerWaalsContact O-CB 3.3Å; L1954-Q1958 WeakPolarHBondContact O-CB 3.19Å; L1954-Q1958 WeakPolarHBondContact O-CG 3.46Å; L1954-Q1958 PolarHBondContact O-N 3.31Å; Q1958-L1960 VanDerWaalsContact C-N 3.35Å; Q1958-G1962 PolarHBondContact O-N 3.25Å; Q1958-M2011 HydrophobicContact CB-CE 4.24Å; Q1958-M2011 HydrophobicContact CB-SD 4.03Å; Q1958-M2011 HydrophobicContact CG-CE 3.9Å; Q1958-M2011 HydrophobicContact CG-SD 3.99Å
1959R67.2Low58.7Low175 Ų17561.6 Ų61.666%0.6633%0.332SS*.Hα-helixtrans-65.5-37173.5-78174.5-178.9168.7-2.3112.2K1955 N1956 G1962 S1963K1955-R1959 WeakPolarHBondContact O-CB 3.43Å; K1955-R1959 VanDerWaalsContact O-CG 3.27Å; K1955-R1959 WeakPolarHBondContact O-CG 3.35Å; K1955-R1959 PolarHBondContact O-N 2.94Å; N1956-R1959 PolarHBondContact O-N 3.41Å; R1959-G1962 CarbonylContact O-C 3.42Å; R1959-G1962 PolarHBondContact O-N 2.74Å; R1959-S1963 WeakPolarHBondContact O-CA 3.49Å; R1959-S1963 WeakPolarHBondContact O-CB 3.42Å; R1959-S1963 PolarHBondContact O-N 2.83Å
1960L66.7Low59Low74 Ų7457.3 Ų57.339%0.38731%0.305SS..Hα-helixtrans-62.8-49.7175.7-93.6152.3000111.3N1956 L1957 Q1958 G1962 S1963N1956-L1960 WeakPolarHBondContact O-CB 3.38Å; N1956-L1960 PolarHBondContact O-N 2.9Å; L1957-L1960 HydrophobicContact CD2-CD1 4.41Å; L1957-L1960 WeakPolarHBondContact O-CB 3.28Å; L1957-L1960 PolarHBondContact O-N 3.25Å; Q1958-L1960 VanDerWaalsContact C-N 3.35Å; L1960-G1962 VanDerWaalsContact C-N 3.3Å; L1960-G1962 PolarHBondContact O-N 2.9Å; L1960-S1963 WeakPolarHBondContact O-CB 3.42Å; L1960-S1963 PolarHBondContact O-N 3.11Å; L1960-S1963 PolarHBondContact O-OG 3.4Å
1961W65.3Low59.6Low17 Ų1756.8 Ų56.86%0.06430%0.3CS..Hα-helixtrans-71.3-24.7176.6-75.120.2000113E1932 A1933 L1957 N1967 Y1989 M2011E1932-W1961 HydrophobicContact CB-CZ2 4.39Å; E1932-W1961 PolarHBondContact OE2-NE1 3.29Å; A1933-W1961 HydrophobicContact CB-CH2 3.86Å; A1933-W1961 HydrophobicContact CB-CZ2 4.04Å; L1957-W1961 PolarHBondContact O-N 3Å; W1961-N1967 PolarHBondContact O-ND2 3.44Å; W1961-N1967 PolarHBondContact O-OD1 2.59Å; W1961-Y1989 AromaticContact CH2-CD1 3.94Å; W1961-Y1989 HydrophobicContact CH2-CD1 3.94Å; W1961-Y1989 AromaticContact CH2-CE1 3.87Å; W1961-Y1989 HydrophobicContact CH2-CE1 3.87Å; W1961-Y1989 AromaticContact CZ3-CD1 3.96Å; W1961-Y1989 HydrophobicContact CZ3-CD1 3.96Å; W1961-Y1989 HydrophobicContact CZ3-CE1 4.07Å; W1961-M2011 HydrophobicContact CB-CE 4.15Å; W1961-M2011 HydrophobicContact CE3-CE 4.2Å
1962G58.5Low60.1Low45 Ų4554.9 Ų54.946%0.46429%0.288SS..THydrogen-bonded Turntrans-86.5-0.2171.100000114.7Q1958 R1959 L1960Q1958-G1962 PolarHBondContact O-N 3.25Å; R1959-G1962 CarbonylContact O-C 3.42Å; R1959-G1962 PolarHBondContact O-N 2.74Å; L1960-G1962 VanDerWaalsContact C-N 3.3Å; L1960-G1962 PolarHBondContact O-N 2.9Å
1963S60.3Low60.4Low18 Ų1851.8 Ų51.813%0.12627%0.269CS..  trans-77.2140.6-173.570.90000112.6R1959 L1960 L1965 R1966 N1967R1959-S1963 WeakPolarHBondContact O-CA 3.49Å; R1959-S1963 WeakPolarHBondContact O-CB 3.42Å; R1959-S1963 PolarHBondContact O-N 2.83Å; L1960-S1963 WeakPolarHBondContact O-CB 3.42Å; L1960-S1963 PolarHBondContact O-N 3.11Å; L1960-S1963 PolarHBondContact O-OG 3.4Å; S1963-L1965 PolarHBondContact O-N 3.45Å; S1963-R1966 PolarHBondContact O-N 2.98Å; S1963-N1967 PolarHBondContact O-N 3.27Å
1964P51.5Low60.9Low68 Ų6848 Ų4844%0.44225%0.249SC..Hα-helixtrans-63-21.9175.624.1-32.7000113R1966 N1967 E1968 T1969P1964-R1966 PolarHBondContact O-N 3.14Å; P1964-N1967 PolarHBondContact O-N 3.11Å; P1964-E1968 HydrophobicContact CB-CB 4.02Å; P1964-E1968 HydrophobicContact CB-CG 4.22Å; P1964-E1968 PolarHBondContact O-N 3.34Å; P1964-T1969 PolarHBondContact O-N 3.36Å; P1964-T1969 VanDerWaalsContact O-N 3.14Å; P1964-T1969 PolarHBondContact O-OG1 3.43Å
1965L47.6Very low61.2Low105 Ų10550.3 Ų50.355%0.5526%0.261SS..Hα-helixtrans-59.5-29.3175.1-74.2155.3000113.3E33 S1963 T1969E33-L1965 HydrophobicContact CG-CD2 4.31Å; S1963-L1965 PolarHBondContact O-N 3.45Å; L1965-T1969 PolarHBondContact O-OG1 2.85Å
1966R56.7Low61.5Low24 Ų2445.8 Ų45.89%0.09124%0.242CC..Hα-helixtrans-105.2-23.2176.5-68.8-171.6176.3-175.95113.7E1932 S1963 P1964E1932-R1966 IonicContact OE1-CZ 3.51Å; E1932-R1966 IonicContact OE1-NH1 2.7Å; E1932-R1966 PolarHBondContact OE1-NH1 3.38Å; E1932-R1966 IonicContact OE1-NH2 2.68Å; E1932-R1966 PolarHBondContact OE1-NH2 3.43Å; E1932-R1966 IonicContact OE2-CZ 3.73Å; E1932-R1966 IonicContact OE2-NH1 2.8Å; E1932-R1966 PolarHBondContact OE2-NH1 3.01Å; E1932-R1966 IonicContact OE2-NH2 3.51Å; E1932-R1966 PolarHBondContact OE2-NH2 3.44Å; S1963-R1966 PolarHBondContact O-N 2.98Å; P1964-R1966 PolarHBondContact O-N 3.14Å
1967N52.5Low61.9Low26 Ų2643.8 Ų43.814%0.13923%0.232CC..Hα-helixtrans-112-31.7-165-65.2-6.8000114.9W1961 S1963 P1964 R1986 V2018W1961-N1967 PolarHBondContact O-ND2 3.44Å; W1961-N1967 PolarHBondContact O-OD1 2.59Å; S1963-N1967 PolarHBondContact O-N 3.27Å; P1964-N1967 PolarHBondContact O-N 3.11Å; N1967-R1986 PolarHBondContact OD1-NH1 2.87Å; N1967-V2018 HydrophobicContact CB-CG1 3.97Å; N1967-V2018 HydrophobicContact CB-CG2 4.37Å
1968E52Low62.4Low88 Ų8843.7 Ų43.741%0.41123%0.23SC..THydrogen-bonded Turntrans-120.2-22.8-166-62-158118.200114.3P1964 N1970 K2021P1964-E1968 HydrophobicContact CB-CB 4.02Å; P1964-E1968 HydrophobicContact CB-CG 4.22Å; P1964-E1968 PolarHBondContact O-N 3.34Å; E1968-N1970 VanDerWaalsContact C-N 3.31Å; E1968-N1970 PolarHBondContact O-N 3.24Å; E1968-K2021 IonicContact OE1-NZ 3.78Å; E1968-K2021 PolarHBondContact OE1-NZ 2.91Å
1969T51.6Low62.9Low34 Ų3442.6 Ų42.621%0.20923%0.226CC..SBendtrans-85.375.4-174.245.30000111E33 P1964 L1965E33-T1969 WeakPolarHBondContact OE1-CB 3.38Å; P1964-T1969 PolarHBondContact O-N 3.36Å; P1964-T1969 VanDerWaalsContact O-N 3.14Å; P1964-T1969 PolarHBondContact O-OG1 3.43Å; L1965-T1969 PolarHBondContact O-OG1 2.85Å
1970N58.9Low63.3Low41 Ų4134.4 Ų34.422%0.21920%0.196CC..  trans84.764166.6-53.1-23.3000118.1R36 E1968 L1972 C1973R36-N1970 WeakPolarHBondContact CD-ND2 3.33Å; R36-N1970 WeakPolarHBondContact CG-ND2 3.45Å; R36-N1970 PolarHBondContact NE-ND2 3.02Å; R36-N1970 VanDerWaalsContact NE-ND2 3.14Å; E1968-N1970 VanDerWaalsContact C-N 3.31Å; E1968-N1970 PolarHBondContact O-N 3.24Å; N1970-L1972 PolarHBondContact O-N 2.93Å; N1970-L1972 VanDerWaalsContact O-N 3.1Å; N1970-C1973 HydrophobicContact CB-CB 4.49Å; N1970-C1973 PolarHBondContact O-N 3.44Å; N1970-C1973 VanDerWaalsContact O-N 3.14Å
1971I66.3Low63.7Low11 Ų1131.3 Ų31.36%0.05618%0.18CC..G310 helixtrans-43.8-36.6159.9-65.9142.7000112.7C1973 D1974 V1979 A2022 K2025 L2026I1971-C1973 VanDerWaalsContact C-N 3.26Å; I1971-C1973 PolarHBondContact O-N 3.23Å; I1971-D1974 PolarHBondContact O-N 3.36Å; I1971-V1979 HydrophobicContact CG2-CG1 4.39Å; I1971-A2022 HydrophobicContact CB-CB 4.35Å; I1971-A2022 HydrophobicContact CD1-CB 3.77Å; I1971-A2022 HydrophobicContact CG1-CB 3.74Å; I1971-A2022 HydrophobicContact CG2-CB 3.66Å; I1971-K2025 HydrophobicContact CD1-CD 4.17Å; I1971-K2025 HydrophobicContact CG2-CB 4.33Å; I1971-L2026 HydrophobicContact CG2-CD1 3.63Å; I1971-L2026 HydrophobicContact CG2-CD2 4.04Å; I1971-L2026 HydrophobicContact CG2-CG 3.63Å
1972L66.2Low64.2Low15 Ų1531 Ų318%0.07918%0.18CC..G310 helixtrans-67.5-19.1-175.5-62.6166.8000114.6N1970 D1974 K2025 Q2399 Q2401 V2404N1970-L1972 PolarHBondContact O-N 2.93Å; N1970-L1972 VanDerWaalsContact O-N 3.1Å; L1972-D1974 VanDerWaalsContact C-N 3.31Å; L1972-K2025 HydrophobicContact CD2-CB 4.02Å; L1972-K2025 WeakPolarHBondContact CD2-O 3.38Å; L1972-Q2399 WeakPolarHBondContact CD1-O 3.45Å; L1972-Q2401 HydrophobicContact CD2-CB 4.27Å; L1972-V2404 HydrophobicContact CB-CG1 4.49Å
1973C65.7Low64.9Low25 Ų2529.3 Ų29.317%0.16916%0.161CC..G310 helixtrans-83.2-9.9178.2-62.70000112.8N1970 I1971 V2404N1970-C1973 HydrophobicContact CB-CB 4.49Å; N1970-C1973 PolarHBondContact O-N 3.44Å; N1970-C1973 VanDerWaalsContact O-N 3.14Å; I1971-C1973 VanDerWaalsContact C-N 3.26Å; I1971-C1973 PolarHBondContact O-N 3.23Å; C1973-V2404 HydrophobicContact CB-CG1 4.16Å; C1973-V2404 WeakPolarHBondContact SG-CG1 3.17Å
1974D67.3Low65.6Low9 Ų929 Ų295%0.04816%0.158CC..SBendtrans-106.6149.6-178.2-77.2-49.1000112.6R35 R1922 I1971 L1972 H1978 V1979R35-D1974 WeakPolarHBondContact CD-OD1 3.45Å; R35-D1974 IonicContact CZ-OD1 3.49Å; R35-D1974 IonicContact CZ-OD2 3.37Å; R35-D1974 IonicContact NE-OD1 2.66Å; R35-D1974 PolarHBondContact NE-OD1 3.47Å; R35-D1974 IonicContact NE-OD2 3.67Å; R35-D1974 PolarHBondContact NE-OD2 3.29Å; R35-D1974 IonicContact NH2-OD1 2.75Å; R35-D1974 IonicContact NH2-OD2 2.87Å; R35-D1974 PolarHBondContact NH2-OD2 3.47Å; R1922-D1974 IonicContact CZ-OD1 3.78Å; R1922-D1974 IonicContact NE-OD1 3.56Å; R1922-D1974 PolarHBondContact NE-OD1 3.04Å; R1922-D1974 IonicContact NH2-OD1 3.52Å; I1971-D1974 PolarHBondContact O-N 3.36Å; L1972-D1974 VanDerWaalsContact C-N 3.31Å; D1974-H1978 IonicContact OD1-CD2 2.75Å; D1974-V1979 HydrophobicContact CB-CG2 3.5Å
1975D70Confident67Low55 Ų5526.1 Ų26.129%0.29414%0.138SC..  trans-63.6144.2171-62.86.7000108.9R1922 I1977 H1978 V1979R1922-D1975 IonicContact CZ-OD1 3.68Å; R1922-D1975 IonicContact CZ-OD2 3.46Å; R1922-D1975 IonicContact NH1-OD1 3.95Å; R1922-D1975 PolarHBondContact NH1-OD1 3.4Å; R1922-D1975 VanDerWaalsContact NH1-OD1 3.08Å; R1922-D1975 IonicContact NH1-OD2 3.3Å; R1922-D1975 PolarHBondContact NH1-OD2 2.99Å; R1922-D1975 VanDerWaalsContact NH2-N 3.14Å; R1922-D1975 IonicContact NH2-OD1 2.7Å; R1922-D1975 PolarHBondContact NH2-OD1 2.84Å; R1922-D1975 IonicContact NH2-OD2 3.56Å; D1975-I1977 PolarHBondContact O-N 3.24Å; D1975-H1978 PolarHBondContact O-N 2.74Å; D1975-H1978 VanDerWaalsContact O-N 3.08Å; D1975-V1979 PolarHBondContact O-N 3.49Å
1976S71.9Confident68.4Low4 Ų421.7 Ų21.73%0.02811%0.114CC..Hα-helixtrans-61.2-34-175.373.40000112Q1818 H1978 V1979 S1980Q1818-S1976 PolarHBondContact O-OG 3.38Å; Q1818-S1976 PolarHBondContact OE1-OG 3.28Å; S1976-H1978 PolarHBondContact O-N 2.66Å; S1976-V1979 PolarHBondContact O-N 3Å; S1976-S1980 VanDerWaalsContact O-CB 3.29Å; S1976-S1980 WeakPolarHBondContact O-CB 3.28Å; S1976-S1980 PolarHBondContact O-N 3.04Å
1977I75.2Confident69.4Low29 Ų2921.6 Ų21.615%0.14912%0.115CC..Hα-helixtrans-59.5-46.5175.7-58.6173.2000111.6E1817 Q1818 D1975 S1980 S1981E1817-I1977 HydrophobicContact CB-CD1 3.77Å; E1817-I1977 HydrophobicContact CB-CG1 4.19Å; Q1818-I1977 HydrophobicContact CG-CD1 4.2Å; Q1818-I1977 HydrophobicContact CG-CG1 4.47Å; Q1818-I1977 VanDerWaalsContact NE2-CD1 3.29Å; D1975-I1977 PolarHBondContact O-N 3.24Å; I1977-S1980 PolarHBondContact O-N 3.07Å; I1977-S1981 WeakPolarHBondContact O-CB 3.29Å; I1977-S1981 PolarHBondContact O-N 3.07Å; I1977-S1981 PolarHBondContact O-OG 3.18Å
1978H75.2Confident70.5Confident18 Ų1823.6 Ų23.68%0.08312%0.121CC..Hα-helixtrans-66.2-45.5-178.2174.960.4000111.3R1922 D1974 D1975 S1976 S1980 S1981 V1982R1922-H1978 HydrophobicContact CB-CB 4.5Å; R1922-H1978 WeakPolarHBondContact CB-ND1 3.26Å; R1922-H1978 HydrophobicContact CG-CB 4.33Å; R1922-H1978 PolarHBondContact O-CE1 3.26Å; D1974-H1978 IonicContact OD1-CD2 2.75Å; D1975-H1978 PolarHBondContact O-N 2.74Å; D1975-H1978 VanDerWaalsContact O-N 3.08Å; S1976-H1978 PolarHBondContact O-N 2.66Å; H1978-S1980 PolarHBondContact O-N 3.46Å; H1978-S1981 WeakPolarHBondContact O-CB 3.44Å; H1978-S1981 PolarHBondContact O-N 3.05Å; H1978-S1981 VanDerWaalsContact O-N 3.11Å; H1978-V1982 WeakPolarHBondContact CE1-CG2 3.16Å; H1978-V1982 WeakPolarHBondContact O-CG2 3.42Å; H1978-V1982 PolarHBondContact O-N 2.94Å
1979V74.3Confident71.7Confident14 Ų1419.5 Ų19.59%0.08510%0.102CC..Hα-helixtrans-61.3-47.8178.4177.50000110I1971 D1974 D1975 S1976 S1981 V1982 L1983 A2022 L2026I1971-V1979 HydrophobicContact CG2-CG1 4.39Å; D1974-V1979 HydrophobicContact CB-CG2 3.5Å; D1975-V1979 PolarHBondContact O-N 3.49Å; S1976-V1979 PolarHBondContact O-N 3Å; V1979-S1981 VanDerWaalsContact C-N 3.28Å; V1979-S1981 PolarHBondContact O-N 3.49Å; V1979-V1982 PolarHBondContact O-N 3.45Å; V1979-L1983 HydrophobicContact CG1-CD1 3.53Å; V1979-L1983 HydrophobicContact CG1-CG 4.45Å; V1979-L1983 WeakPolarHBondContact O-CB 3.43Å; V1979-L1983 VanDerWaalsContact O-CD1 3.28Å; V1979-L1983 WeakPolarHBondContact O-CD1 3.47Å; V1979-L1983 WeakPolarHBondContact O-CG 3.45Å; V1979-L1983 PolarHBondContact O-N 3.38Å; V1979-A2022 HydrophobicContact CG1-CB 3.71Å; V1979-L2026 HydrophobicContact CB-CD1 3.96Å; V1979-L2026 HydrophobicContact CG1-CD1 4.01Å; V1979-L2026 HydrophobicContact CG2-CD1 4.14Å
1980S75.2Confident73Confident2 Ų218 Ų181%0.0149%0.093CC..Hα-helixtrans-56.5-42.4173179.20000111.7S1976 I1977 H1978 L1983 T1984S1976-S1980 VanDerWaalsContact O-CB 3.29Å; S1976-S1980 WeakPolarHBondContact O-CB 3.28Å; S1976-S1980 PolarHBondContact O-N 3.04Å; I1977-S1980 PolarHBondContact O-N 3.07Å; H1978-S1980 PolarHBondContact O-N 3.46Å; S1980-L1983 PolarHBondContact O-N 3.48Å; S1980-T1984 WeakPolarHBondContact O-CB 3.25Å; S1980-T1984 PolarHBondContact O-N 2.93Å; S1980-T1984 PolarHBondContact O-OG1 3.36Å
1981S74.7Confident73.9Confident10 Ų1017.6 Ų17.67%0.079%0.093CC..Hα-helixtrans-64.5-51.8-178.9-55.70000111.9R1845 I1977 H1978 V1979 L1983 T1984 W1985R1845-S1981 PolarHBondContact NH1-OG 3.46Å; R1845-S1981 PolarHBondContact NH2-OG 3.49Å; I1977-S1981 WeakPolarHBondContact O-CB 3.29Å; I1977-S1981 PolarHBondContact O-N 3.07Å; I1977-S1981 PolarHBondContact O-OG 3.18Å; H1978-S1981 WeakPolarHBondContact O-CB 3.44Å; H1978-S1981 PolarHBondContact O-N 3.05Å; H1978-S1981 VanDerWaalsContact O-N 3.11Å; V1979-S1981 VanDerWaalsContact C-N 3.28Å; V1979-S1981 PolarHBondContact O-N 3.49Å; S1981-L1983 VanDerWaalsContact C-N 3.31Å; S1981-L1983 PolarHBondContact O-N 3.09Å; S1981-T1984 PolarHBondContact O-N 3.2Å; S1981-W1985 WeakPolarHBondContact O-CB 3.44Å; S1981-W1985 PolarHBondContact O-N 3.28Å
1982V76.6Confident74.3Confident9 Ų917.7 Ų17.76%0.0559%0.093CC..Hα-helixtrans-58.9-43.2178173.70000111.2L1926 H1978 V1979 W1985 R1986L1926-V1982 HydrophobicContact CD2-CB 4.26Å; L1926-V1982 HydrophobicContact CD2-CG2 3.56Å; L1926-V1982 HydrophobicContact CG-CG2 4.12Å; H1978-V1982 WeakPolarHBondContact CE1-CG2 3.16Å; H1978-V1982 WeakPolarHBondContact O-CG2 3.42Å; H1978-V1982 PolarHBondContact O-N 2.94Å; V1979-V1982 PolarHBondContact O-N 3.45Å; V1982-W1985 WeakPolarHBondContact O-CB 3.21Å; V1982-R1986 WeakPolarHBondContact O-CG 3.4Å; V1982-R1986 PolarHBondContact O-N 2.91Å; V1982-R1986 VanDerWaalsContact O-N 3.08Å
1983L74.4Confident74.7Confident11 Ų1117 Ų176%0.0589%0.09CC..Hα-helixtrans-73.1-44.7-176.6-67.5165.1000111.8V1979 S1980 S1981 W1985 R1986 I1987 V2018 A2019 A2022V1979-L1983 HydrophobicContact CG1-CD1 3.53Å; V1979-L1983 HydrophobicContact CG1-CG 4.45Å; V1979-L1983 WeakPolarHBondContact O-CB 3.43Å; V1979-L1983 VanDerWaalsContact O-CD1 3.28Å; V1979-L1983 WeakPolarHBondContact O-CD1 3.47Å; V1979-L1983 WeakPolarHBondContact O-CG 3.45Å; V1979-L1983 PolarHBondContact O-N 3.38Å; S1980-L1983 PolarHBondContact O-N 3.48Å; S1981-L1983 VanDerWaalsContact C-N 3.31Å; S1981-L1983 PolarHBondContact O-N 3.09Å; L1983-W1985 VanDerWaalsContact C-N 3.27Å; L1983-W1985 PolarHBondContact O-N 2.94Å; L1983-R1986 PolarHBondContact O-N 3.33Å; L1983-I1987 WeakPolarHBondContact O-CD1 3.2Å; L1983-I1987 VanDerWaalsContact O-CG1 3.23Å; L1983-I1987 WeakPolarHBondContact O-CG1 3.42Å; L1983-I1987 PolarHBondContact O-N 3.36Å; L1983-V2018 HydrophobicContact CD2-CG1 4.12Å; L1983-A2019 HydrophobicContact CB-CB 4.01Å; L1983-A2019 VanDerWaalsContact CD1-CA 3.49Å; L1983-A2019 HydrophobicContact CD1-CB 3.67Å; L1983-A2019 HydrophobicContact CD2-CB 4.14Å; L1983-A2019 HydrophobicContact CG-CB 4.16Å; L1983-A2022 HydrophobicContact CD1-CB 4.1Å
1984T74.8Confident75Confident12 Ų1218.6 Ų18.67%0.0749%0.094CC..Hα-helixtrans-60.3-42.4174.6-550000110.1W1844 S1980 S1981 R1986 I1987 R1988W1844-T1984 HydrophobicContact CZ3-CG2 4.12Å; S1980-T1984 WeakPolarHBondContact O-CB 3.25Å; S1980-T1984 PolarHBondContact O-N 2.93Å; S1980-T1984 PolarHBondContact O-OG1 3.36Å; S1981-T1984 PolarHBondContact O-N 3.2Å; T1984-R1986 PolarHBondContact O-N 2.85Å; T1984-I1987 PolarHBondContact O-N 3.36Å; T1984-R1988 HydrophobicContact CG2-CG 4.01Å; T1984-R1988 WeakPolarHBondContact O-CB 3.49Å; T1984-R1988 WeakPolarHBondContact O-CG 3.39Å; T1984-R1988 PolarHBondContact O-N 3.19Å
1985W79.1Confident75.3Confident6 Ų621.8 Ų21.82%0.02312%0.118CC..Hα-helixtrans-54.8-49.3174.8-167.4-84.7000112.3W1844 L1873 Y1874 Y1877 L1930 S1981 V1982 L1983 Y1989W1844-W1985 HydrophobicContact CH2-CE3 4.31Å; W1844-W1985 HydrophobicContact CZ3-CE3 4.09Å; L1873-W1985 HydrophobicContact CD2-CH2 3.36Å; L1873-W1985 HydrophobicContact CD2-CZ2 4.25Å; L1873-W1985 HydrophobicContact CD2-CZ3 3.57Å; L1873-W1985 HydrophobicContact CG-CH2 3.95Å; Y1874-W1985 HydrophobicContact CD1-CH2 4.33Å; Y1874-W1985 AromaticContact CD1-CZ3 3.84Å; Y1874-W1985 HydrophobicContact CD1-CZ3 3.84Å; Y1874-W1985 HydrophobicContact CE1-CZ3 4.11Å; Y1877-W1985 VanDerWaalsContact CB-CH2 3.41Å; Y1877-W1985 AromaticContact CD2-CD2 3.95Å; Y1877-W1985 HydrophobicContact CD2-CD2 3.95Å; Y1877-W1985 AromaticContact CD2-CE2 3.45Å; Y1877-W1985 VanDerWaalsContact CD2-CE2 3.45Å; Y1877-W1985 HydrophobicContact CD2-CE3 4.33Å; Y1877-W1985 AromaticContact CD2-CH2 3.91Å; Y1877-W1985 HydrophobicContact CD2-CH2 3.91Å; Y1877-W1985 AromaticContact CD2-CZ2 3.46Å; Y1877-W1985 HydrophobicContact CD2-CZ2 3.46Å; Y1877-W1985 VanDerWaalsContact CD2-CZ2 3.46Å; Y1877-W1985 HydrophobicContact CD2-CZ3 4.3Å; Y1877-W1985 AromaticContact CD2-NE1 3.84Å; Y1877-W1985 HydrophobicContact CE2-CD2 4.21Å; Y1877-W1985 HydrophobicContact CE2-CZ2 4.46Å; Y1877-W1985 AromaticContact CG-CH2 3.82Å; Y1877-W1985 HydrophobicContact CG-CH2 3.82Å; Y1877-W1985 AromaticContact CG-CZ2 3.83Å; Y1877-W1985 HydrophobicContact CG-CZ2 3.83Å; Y1877-W1985 HydrophobicContact CG-CZ3 4.21Å; L1930-W1985 HydrophobicContact CB-CZ2 4.47Å; L1930-W1985 HydrophobicContact CD1-CZ2 4.18Å; S1981-W1985 WeakPolarHBondContact O-CB 3.44Å; S1981-W1985 PolarHBondContact O-N 3.28Å; V1982-W1985 WeakPolarHBondContact O-CB 3.21Å; L1983-W1985 VanDerWaalsContact C-N 3.27Å; L1983-W1985 PolarHBondContact O-N 2.94Å; W1985-Y1989 VanDerWaalsContact O-CB 3.27Å; W1985-Y1989 WeakPolarHBondContact O-CB 3.27Å; W1985-Y1989 PolarHBondContact O-N 3.46Å
1986R77.8Confident75.2Confident13 Ų1323.5 Ų23.55%0.04913%0.126CC..Hα-helixtrans-65.3-44.3178.1-70.8175.2-175.7-175.86112.3E1929 N1967 V1982 L1983 T1984 R1988 L1990E1929-R1986 VanDerWaalsContact CD-NH2 3.35Å; E1929-R1986 IonicContact OE1-CZ 2.79Å; E1929-R1986 IonicContact OE1-NE 2.78Å; E1929-R1986 IonicContact OE1-NH2 3.45Å; E1929-R1986 PolarHBondContact OE1-NH2 3.07Å; E1929-R1986 IonicContact OE2-CZ 2.59Å; E1929-R1986 IonicContact OE2-NE 3.21Å; E1929-R1986 PolarHBondContact OE2-NE 3.39Å; E1929-R1986 IonicContact OE2-NH2 3.9Å; E1929-R1986 PolarHBondContact OE2-NH2 3.27Å; N1967-R1986 PolarHBondContact OD1-NH1 2.87Å; V1982-R1986 WeakPolarHBondContact O-CG 3.4Å; V1982-R1986 PolarHBondContact O-N 2.91Å; V1982-R1986 VanDerWaalsContact O-N 3.08Å; L1983-R1986 PolarHBondContact O-N 3.33Å; T1984-R1986 PolarHBondContact O-N 2.85Å; R1986-R1988 VanDerWaalsContact C-N 3.35Å; R1986-R1988 PolarHBondContact O-N 3.43Å; R1986-L1990 WeakPolarHBondContact O-CB 3.45Å; R1986-L1990 WeakPolarHBondContact O-CD1 3.36Å; R1986-L1990 WeakPolarHBondContact O-CG 3.48Å; R1986-L1990 PolarHBondContact O-N 3.41Å
1987I77.2Confident74.8Confident21 Ų2124.1 Ų24.111%0.10813%0.13CC..Hα-helixtrans-62.7-43.2-179.9-67.2161.1000110.7L1983 T1984 S1991 A2015 L2016 A2019L1983-I1987 WeakPolarHBondContact O-CD1 3.2Å; L1983-I1987 VanDerWaalsContact O-CG1 3.23Å; L1983-I1987 WeakPolarHBondContact O-CG1 3.42Å; L1983-I1987 PolarHBondContact O-N 3.36Å; T1984-I1987 PolarHBondContact O-N 3.36Å; I1987-S1991 PolarHBondContact O-N 3.46Å; I1987-S1991 PolarHBondContact O-OG 3.35Å; I1987-A2015 HydrophobicContact CG1-CB 4.25Å; I1987-L2016 HydrophobicContact CD1-CD2 3.71Å; I1987-L2016 HydrophobicContact CD1-CG 4.35Å; I1987-L2016 HydrophobicContact CG1-CD2 4.2Å; I1987-L2016 HydrophobicContact CG1-CG 4.42Å; I1987-L2016 HydrophobicContact CG2-CD2 4.4Å; I1987-A2019 HydrophobicContact CD1-CB 4.38Å
1988R76.9Confident74.1Confident69 Ų6925.7 Ų25.726%0.2614%0.143SC..Hα-helixtrans-71.1-43.6179.8-64.2-67.5-178.4-170.2-1.3111.6R1845 D1847 Y1877 T1984 R1986 L1990 S1991 I1992R1845-R1988 PolarHBondContact O-NH2 2.96Å; D1847-R1988 IonicContact OD2-CZ 3.28Å; D1847-R1988 IonicContact OD2-NE 4Å; D1847-R1988 IonicContact OD2-NH1 3.49Å; D1847-R1988 PolarHBondContact OD2-NH1 3.15Å; Y1877-R1988 WeakPolarHBondContact OH-CB 3.33Å; T1984-R1988 HydrophobicContact CG2-CG 4.01Å; T1984-R1988 WeakPolarHBondContact O-CB 3.49Å; T1984-R1988 WeakPolarHBondContact O-CG 3.39Å; T1984-R1988 PolarHBondContact O-N 3.19Å; R1986-R1988 VanDerWaalsContact C-N 3.35Å; R1986-R1988 PolarHBondContact O-N 3.43Å; R1988-L1990 VanDerWaalsContact C-N 3.34Å; R1988-L1990 PolarHBondContact O-N 3.32Å; R1988-S1991 WeakPolarHBondContact O-CB 3.32Å; R1988-S1991 PolarHBondContact O-N 2.91Å; R1988-S1991 VanDerWaalsContact O-N 3.1Å; R1988-I1992 WeakPolarHBondContact O-CG1 3.46Å; R1988-I1992 PolarHBondContact O-N 3.21Å
1989Y77.4Confident73.2Confident1 Ų130.6 Ų30.60%0.00418%0.177CC..Hα-helixtrans-59.4-42.6174177.2-104.5000112.4Y1877 F1880 A1933 Y1936 H1937 W1961 W1985 S1991 I1992 L1993Y1877-Y1989 PolarHBondContact OH-N 3Å; F1880-Y1989 HydrophobicContact CD1-CE2 4.16Å; F1880-Y1989 HydrophobicContact CD2-CD2 4.17Å; F1880-Y1989 HydrophobicContact CD2-CE2 4.15Å; F1880-Y1989 HydrophobicContact CE1-CE2 4.02Å; F1880-Y1989 HydrophobicContact CE2-CD2 4.18Å; F1880-Y1989 HydrophobicContact CE2-CE2 4.01Å; F1880-Y1989 HydrophobicContact CG-CE2 4.24Å; F1880-Y1989 AromaticContact CZ-CE2 3.96Å; F1880-Y1989 HydrophobicContact CZ-CE2 3.96Å; A1933-Y1989 HydrophobicContact CB-CD2 4.45Å; A1933-Y1989 HydrophobicContact CB-CE1 4.15Å; A1933-Y1989 HydrophobicContact CB-CE2 4.02Å; A1933-Y1989 PolarHBondContact O-OH 3.14Å; Y1936-Y1989 HydrophobicContact CD1-CE1 4.26Å; H1937-Y1989 WeakPolarHBondContact CB-OH 3.48Å; H1937-Y1989 PolarHBondContact N-OH 2.93Å; W1961-Y1989 AromaticContact CH2-CD1 3.94Å; W1961-Y1989 HydrophobicContact CH2-CD1 3.94Å; W1961-Y1989 AromaticContact CH2-CE1 3.87Å; W1961-Y1989 HydrophobicContact CH2-CE1 3.87Å; W1961-Y1989 AromaticContact CZ3-CD1 3.96Å; W1961-Y1989 HydrophobicContact CZ3-CD1 3.96Å; W1961-Y1989 HydrophobicContact CZ3-CE1 4.07Å; W1985-Y1989 VanDerWaalsContact O-CB 3.27Å; W1985-Y1989 WeakPolarHBondContact O-CB 3.27Å; W1985-Y1989 PolarHBondContact O-N 3.46Å; Y1989-S1991 VanDerWaalsContact C-N 3.31Å; Y1989-S1991 PolarHBondContact O-N 3.44Å; Y1989-I1992 WeakPolarHBondContact O-CB 3.24Å; Y1989-I1992 PolarHBondContact O-N 2.98Å; Y1989-L1993 HydrophobicContact CD1-CD1 3.94Å; Y1989-L1993 HydrophobicContact CE1-CD1 3.36Å; Y1989-L1993 HydrophobicContact CE1-CG 4.05Å; Y1989-L1993 PolarHBondContact O-N 2.7Å
1990L77.2Confident72.1Confident4 Ų434.3 Ų34.32%0.02120%0.204CC..Hα-helixtrans-64.4-36.1175.3-70.3168000112R1986 R1988 I1992 L1993 E1994 I2008 M2011 K2012 A2015R1986-L1990 WeakPolarHBondContact O-CB 3.45Å; R1986-L1990 WeakPolarHBondContact O-CD1 3.36Å; R1986-L1990 WeakPolarHBondContact O-CG 3.48Å; R1986-L1990 PolarHBondContact O-N 3.41Å; R1988-L1990 VanDerWaalsContact C-N 3.34Å; R1988-L1990 PolarHBondContact O-N 3.32Å; L1990-I1992 VanDerWaalsContact C-N 3.34Å; L1990-L1993 HydrophobicContact CD2-CD1 4.26Å; L1990-L1993 PolarHBondContact O-N 3.49Å; L1990-E1994 WeakPolarHBondContact O-CG 3.33Å; L1990-E1994 PolarHBondContact O-N 2.67Å; L1990-I2008 HydrophobicContact CD2-CG2 4.18Å; L1990-M2011 HydrophobicContact CD1-CB 4.24Å; L1990-M2011 HydrophobicContact CD2-CB 4.16Å; L1990-K2012 HydrophobicContact CB-CB 4.37Å; L1990-K2012 HydrophobicContact CB-CG 4.48Å; L1990-K2012 HydrophobicContact CD1-CB 4.14Å; L1990-A2015 HydrophobicContact CD1-CB 4.36Å
1991S77.9Confident71.1Confident32 Ų3238.2 Ų38.222%0.22422%0.224CC..Hα-helixtrans-65.5-35.3173.2-54.10000112.4I1987 R1988 Y1989 E1994 S1995 K2012I1987-S1991 PolarHBondContact O-N 3.46Å; I1987-S1991 PolarHBondContact O-OG 3.35Å; R1988-S1991 WeakPolarHBondContact O-CB 3.32Å; R1988-S1991 PolarHBondContact O-N 2.91Å; R1988-S1991 VanDerWaalsContact O-N 3.1Å; Y1989-S1991 VanDerWaalsContact C-N 3.31Å; Y1989-S1991 PolarHBondContact O-N 3.44Å; S1991-E1994 PolarHBondContact O-N 3.28Å; S1991-S1995 PolarHBondContact O-N 2.88Å; S1991-K2012 VanDerWaalsContact OG-CE 3.27Å; S1991-K2012 WeakPolarHBondContact OG-CE 3.25Å; S1991-K2012 PolarHBondContact OG-NZ 3.39Å
1992I75.5Confident70.2Confident13 Ų1342.7 Ų42.77%0.06725%0.247CC..Hα-helixtrans-64-45172.1-65168.4000110.1Y1877 R1881 R1988 Y1989 L1990 E1994 S1995 L1996Y1877-I1992 HydrophobicContact CE1-CD1 4.31Å; Y1877-I1992 WeakPolarHBondContact OH-CD1 3.32Å; R1881-I1992 HydrophobicContact CG-CG2 4.34Å; R1988-I1992 WeakPolarHBondContact O-CG1 3.46Å; R1988-I1992 PolarHBondContact O-N 3.21Å; Y1989-I1992 WeakPolarHBondContact O-CB 3.24Å; Y1989-I1992 PolarHBondContact O-N 2.98Å; L1990-I1992 VanDerWaalsContact C-N 3.34Å; I1992-E1994 PolarHBondContact O-N 3.4Å; I1992-S1995 PolarHBondContact O-N 2.85Å; I1992-S1995 VanDerWaalsContact O-N 3.16Å; I1992-S1995 PolarHBondContact O-OG 3.24Å; I1992-L1996 HydrophobicContact CG2-CD1 4.06Å; I1992-L1996 WeakPolarHBondContact O-CG 3.32Å; I1992-L1996 PolarHBondContact O-N 3.46Å
1993L73.9Confident69.3Low0 Ų051.9 Ų51.90%028%0.281CS..Hα-helixtrans-62.1-41177.3-71.2172.6000112.9Y1936 L1940 Y1989 L1990 S1995 L1996 T1997 I2008Y1936-L1993 HydrophobicContact CD1-CD1 3.97Å; Y1936-L1993 HydrophobicContact CE1-CD1 3.63Å; L1940-L1993 HydrophobicContact CD2-CD2 4.36Å; Y1989-L1993 HydrophobicContact CD1-CD1 3.94Å; Y1989-L1993 HydrophobicContact CE1-CD1 3.36Å; Y1989-L1993 HydrophobicContact CE1-CG 4.05Å; Y1989-L1993 PolarHBondContact O-N 2.7Å; L1990-L1993 HydrophobicContact CD2-CD1 4.26Å; L1990-L1993 PolarHBondContact O-N 3.49Å; L1993-S1995 VanDerWaalsContact C-N 3.25Å; L1993-S1995 PolarHBondContact O-N 3.1Å; L1993-L1996 PolarHBondContact O-N 2.85Å; L1993-L1996 VanDerWaalsContact O-N 3.12Å; L1993-T1997 PolarHBondContact O-N 3.47Å; L1993-T1997 PolarHBondContact O-OG1 3.4Å; L1993-I2008 HydrophobicContact CB-CD1 4.34Å; L1993-I2008 HydrophobicContact CB-CG2 4.33Å
1994E72.8Confident68.6Low58 Ų5853.1 Ų53.127%0.27129%0.29SS..Hα-helixtrans-57.9-39.3174.2-73.4173.8168.100111.5L1990 S1991 I1992 L1996 T1997 I2008 K2012L1990-E1994 WeakPolarHBondContact O-CG 3.33Å; L1990-E1994 PolarHBondContact O-N 2.67Å; S1991-E1994 PolarHBondContact O-N 3.28Å; I1992-E1994 PolarHBondContact O-N 3.4Å; E1994-L1996 VanDerWaalsContact C-N 3.29Å; E1994-L1996 PolarHBondContact O-N 3.08Å; E1994-T1997 PolarHBondContact O-N 3.43Å; E1994-T1997 PolarHBondContact O-OG1 3.22Å; E1994-T1997 VanDerWaalsContact O-OG1 3.04Å; E1994-I2008 HydrophobicContact CG-CB 4.46Å; E1994-I2008 HydrophobicContact CG-CG2 3.58Å; E1994-K2012 WeakPolarHBondContact OE1-CD 3.33Å; E1994-K2012 IonicContact OE1-NZ 3.53Å; E1994-K2012 IonicContact OE2-NZ 3.42Å; E1994-K2012 PolarHBondContact OE2-NZ 2.9Å
1995S73.4Confident67.9Low77 Ų7753.8 Ų53.854%0.53830%0.295SS..Hα-helixtrans-70.5-21.4178.171.10000114.4S1991 I1992 L1993S1991-S1995 PolarHBondContact O-N 2.88Å; I1992-S1995 PolarHBondContact O-N 2.85Å; I1992-S1995 VanDerWaalsContact O-N 3.16Å; I1992-S1995 PolarHBondContact O-OG 3.24Å; L1993-S1995 VanDerWaalsContact C-N 3.25Å; L1993-S1995 PolarHBondContact O-N 3.1Å
1996L67.6Low67.3Low91 Ų9158 Ų5848%0.47631%0.314SS..Hα-helixtrans-89.4-17.3179.4-67.8167.5000113I1992 L1993 E1994I1992-L1996 HydrophobicContact CG2-CD1 4.06Å; I1992-L1996 WeakPolarHBondContact O-CG 3.32Å; I1992-L1996 PolarHBondContact O-N 3.46Å; L1993-L1996 PolarHBondContact O-N 2.85Å; L1993-L1996 VanDerWaalsContact O-N 3.12Å; E1994-L1996 VanDerWaalsContact C-N 3.29Å; E1994-L1996 PolarHBondContact O-N 3.08Å
1997T64.6Low66.8Low16 Ų1662.5 Ų62.510%0.09833%0.331CS..SBendtrans-94.5120.2179500000111.4L1940 L1993 E1994 I2008L1940-T1997 HydrophobicContact CD2-CG2 4.28Å; L1993-T1997 PolarHBondContact O-N 3.47Å; L1993-T1997 PolarHBondContact O-OG1 3.4Å; E1994-T1997 PolarHBondContact O-N 3.43Å; E1994-T1997 PolarHBondContact O-OG1 3.22Å; E1994-T1997 VanDerWaalsContact O-OG1 3.04Å; T1997-I2008 HydrophobicContact CG2-CD1 3.84Å
1998S59.7Low66.5Low62 Ų6261.6 Ų61.643%0.43433%0.327SS..  trans-69.7150.7174.859.10000111.5S2000 D2001S1998-S2000 PolarHBondContact O-N 2.98Å; S1998-S2000 PolarHBondContact OG-OG 3.17Å; S1998-D2001 PolarHBondContact O-N 3.37Å
1999P55.9Low66.2Low122 Ų12258.7 Ų58.779%0.79232%0.317SS*.THydrogen-bonded Turntrans-63.5-6.3-176.622.9-33.1000115.1
2000S51.4Low65.9Low92 Ų9260.2 Ų60.264%0.64333%0.325SS*.THydrogen-bonded Turntrans-72.7-21.2177.747.30000114.2S1998S1998-S2000 PolarHBondContact O-N 2.98Å; S1998-S2000 PolarHBondContact OG-OG 3.17Å
2001D54.9Low65.7Low84 Ų8461.3 Ų61.345%0.44933%0.331SS..  trans-101.969.2179.2-77.3-27.5000112.2S1998 R2003 S2004 T2005S1998-D2001 PolarHBondContact O-N 3.37Å; D2001-R2003 PolarHBondContact O-N 3.23Å; D2001-S2004 VanDerWaalsContact CB-OG 3.3Å; D2001-S2004 WeakPolarHBondContact CB-OG 3.39Å; D2001-S2004 PolarHBondContact O-N 3.45Å; D2001-S2004 VanDerWaalsContact O-N 3.1Å; D2001-S2004 PolarHBondContact O-OG 3.1Å; D2001-T2005 PolarHBondContact O-N 2.88Å; D2001-T2005 PolarHBondContact O-OG1 3.18Å
2002L54.5Low65.6Low104 Ų10461.3 Ų61.355%0.54533%0.327SS..Hα-helixtrans-49.5-32.5-178.9-89.2136.5000114.9T2005 Q2006L2002-T2005 WeakPolarHBondContact CA-OG1 3.33Å; L2002-T2005 PolarHBondContact O-OG1 2.74Å; L2002-T2005 VanDerWaalsContact O-OG1 3.11Å; L2002-Q2006 VanDerWaalsContact O-CB 3.25Å; L2002-Q2006 WeakPolarHBondContact O-CB 3.35Å; L2002-Q2006 PolarHBondContact O-N 3.4Å; L2002-Q2006 VanDerWaalsContact O-N 3.15Å
2003R58.9Low65.7Low201 Ų20160.7 Ų60.776%0.75832%0.323SS*.Hα-helixtrans-78.2-28.7-177.8-74.8-175.2177.1-178.20.6113.9D2001 R2007D2001-R2003 PolarHBondContact O-N 3.23Å; R2003-R2007 VanDerWaalsContact O-CG 3.3Å; R2003-R2007 WeakPolarHBondContact O-CG 3.39Å
2004S59Low65.8Low37 Ų3765.6 Ų65.626%0.25935%0.345SS..Hα-helixtrans-82-41.5178.259.20000110.1D2001 R2007 I2008D2001-S2004 VanDerWaalsContact CB-OG 3.3Å; D2001-S2004 WeakPolarHBondContact CB-OG 3.39Å; D2001-S2004 PolarHBondContact O-N 3.45Å; D2001-S2004 VanDerWaalsContact O-N 3.1Å; D2001-S2004 PolarHBondContact O-OG 3.1Å; S2004-R2007 PolarHBondContact O-N 3.36Å; S2004-I2008 VanDerWaalsContact O-CG1 3.31Å; S2004-I2008 WeakPolarHBondContact O-CG1 3.48Å; S2004-I2008 PolarHBondContact O-N 2.96Å
2005T60.9Low65.9Low27 Ų2763.5 Ų63.517%0.16634%0.337CS..Hα-helixtrans-63-40.9175.651.70000112.4D2001 L2002 R2007 I2008 S2009D2001-T2005 PolarHBondContact O-N 2.88Å; D2001-T2005 PolarHBondContact O-OG1 3.18Å; L2002-T2005 WeakPolarHBondContact CA-OG1 3.33Å; L2002-T2005 PolarHBondContact O-OG1 2.74Å; L2002-T2005 VanDerWaalsContact O-OG1 3.11Å; T2005-R2007 PolarHBondContact O-N 3.09Å; T2005-I2008 PolarHBondContact O-N 3.07Å; T2005-S2009 PolarHBondContact O-N 2.93Å; T2005-S2009 PolarHBondContact O-OG 3.35Å
2006Q66.4Low66.2Low93 Ų9360 Ų6044%0.43531%0.312SS..Hα-helixtrans-62.1-40.1173.7-169.3176.212.400112.5L2002 S2009 D2010 Y2044L2002-Q2006 VanDerWaalsContact O-CB 3.25Å; L2002-Q2006 WeakPolarHBondContact O-CB 3.35Å; L2002-Q2006 PolarHBondContact O-N 3.4Å; L2002-Q2006 VanDerWaalsContact O-N 3.15Å; Q2006-S2009 VanDerWaalsContact CA-OG 3.3Å; Q2006-S2009 WeakPolarHBondContact CA-OG 3.46Å; Q2006-S2009 PolarHBondContact O-OG 3.07Å; Q2006-D2010 WeakPolarHBondContact O-CB 3.47Å; Q2006-D2010 PolarHBondContact O-N 3.28Å; Q2006-Y2044 HydrophobicContact CG-CG 4.47Å
2007R67.1Low66.7Low108 Ų10856.2 Ų56.241%0.40829%0.293SS..Hα-helixtrans-70.8-34.2179-72.4176.4-175.21766113.3R2003 S2004 T2005 M2011R2003-R2007 VanDerWaalsContact O-CG 3.3Å; R2003-R2007 WeakPolarHBondContact O-CG 3.39Å; S2004-R2007 PolarHBondContact O-N 3.36Å; T2005-R2007 PolarHBondContact O-N 3.09Å; R2007-M2011 VanDerWaalsContact O-CG 3.32Å; R2007-M2011 WeakPolarHBondContact O-CG 3.45Å; R2007-M2011 PolarHBondContact O-N 3Å
2008I70.5Confident67.3Low2 Ų256.6 Ų56.61%0.0130%0.295CS..Hα-helixtrans-70.5-43.7177-63.7163000109.7L1940 L1990 L1993 E1994 T1997 S2004 T2005 M2011 K2012L1940-I2008 HydrophobicContact CD1-CD1 4.44Å; L1990-I2008 HydrophobicContact CD2-CG2 4.18Å; L1993-I2008 HydrophobicContact CB-CD1 4.34Å; L1993-I2008 HydrophobicContact CB-CG2 4.33Å; E1994-I2008 HydrophobicContact CG-CB 4.46Å; E1994-I2008 HydrophobicContact CG-CG2 3.58Å; T1997-I2008 HydrophobicContact CG2-CD1 3.84Å; S2004-I2008 VanDerWaalsContact O-CG1 3.31Å; S2004-I2008 WeakPolarHBondContact O-CG1 3.48Å; S2004-I2008 PolarHBondContact O-N 2.96Å; T2005-I2008 PolarHBondContact O-N 3.07Å; I2008-M2011 WeakPolarHBondContact O-CB 3.42Å; I2008-M2011 PolarHBondContact O-N 3.45Å; I2008-K2012 PolarHBondContact O-N 3Å
2009S71.6Confident68Low8 Ų853.6 Ų53.66%0.05627%0.274CS..Hα-helixtrans-63.7-39.617547.30000112.6T2005 Q2006 M2011 K2012 A2013T2005-S2009 PolarHBondContact O-N 2.93Å; T2005-S2009 PolarHBondContact O-OG 3.35Å; Q2006-S2009 VanDerWaalsContact CA-OG 3.3Å; Q2006-S2009 WeakPolarHBondContact CA-OG 3.46Å; Q2006-S2009 PolarHBondContact O-OG 3.07Å; S2009-M2011 VanDerWaalsContact C-N 3.33Å; S2009-M2011 PolarHBondContact O-N 3Å; S2009-K2012 PolarHBondContact O-N 3.18Å; S2009-A2013 VanDerWaalsContact O-CB 3.3Å; S2009-A2013 WeakPolarHBondContact O-CB 3.45Å; S2009-A2013 PolarHBondContact O-N 3.49Å
2010D70.6Confident69Low33 Ų3347.9 Ų47.918%0.17624%0.237CC..Hα-helixtrans-59.6-39.9172.2-73.1-19.9000112.6Q2006 K2014Q2006-D2010 WeakPolarHBondContact O-CB 3.47Å; Q2006-D2010 PolarHBondContact O-N 3.28Å; D2010-K2014 WeakPolarHBondContact O-CG 3.5Å; D2010-K2014 PolarHBondContact O-N 2.93Å; D2010-K2014 VanDerWaalsContact O-N 3.11Å
2011M72.7Confident70.3Confident28 Ų2845.7 Ų45.714%0.13822%0.216CC..Hα-helixtrans-68.8-38.9176.4-74-88.7-71.300111.5Q1958 W1961 L1990 R2007 I2008 S2009 K2014 A2015Q1958-M2011 HydrophobicContact CB-CE 4.24Å; Q1958-M2011 HydrophobicContact CB-SD 4.03Å; Q1958-M2011 HydrophobicContact CG-CE 3.9Å; Q1958-M2011 HydrophobicContact CG-SD 3.99Å; W1961-M2011 HydrophobicContact CB-CE 4.15Å; W1961-M2011 HydrophobicContact CE3-CE 4.2Å; L1990-M2011 HydrophobicContact CD1-CB 4.24Å; L1990-M2011 HydrophobicContact CD2-CB 4.16Å; R2007-M2011 VanDerWaalsContact O-CG 3.32Å; R2007-M2011 WeakPolarHBondContact O-CG 3.45Å; R2007-M2011 PolarHBondContact O-N 3Å; I2008-M2011 WeakPolarHBondContact O-CB 3.42Å; I2008-M2011 PolarHBondContact O-N 3.45Å; S2009-M2011 VanDerWaalsContact C-N 3.33Å; S2009-M2011 PolarHBondContact O-N 3Å; M2011-K2014 PolarHBondContact O-N 3.44Å; M2011-A2015 WeakPolarHBondContact O-CB 3.39Å; M2011-A2015 PolarHBondContact O-N 2.96Å
2012K76.6Confident71.3Confident32 Ų3241.8 Ų41.814%0.13920%0.195CC..Hα-helixtrans-66.9-42.8177-169.3176.3-176.1-178.80111.3L1990 S1991 E1994 I2008 S2009 K2014 A2015 L2016 L2042L1990-K2012 HydrophobicContact CB-CB 4.37Å; L1990-K2012 HydrophobicContact CB-CG 4.48Å; L1990-K2012 HydrophobicContact CD1-CB 4.14Å; S1991-K2012 VanDerWaalsContact OG-CE 3.27Å; S1991-K2012 WeakPolarHBondContact OG-CE 3.25Å; S1991-K2012 PolarHBondContact OG-NZ 3.39Å; E1994-K2012 WeakPolarHBondContact OE1-CD 3.33Å; E1994-K2012 IonicContact OE1-NZ 3.53Å; E1994-K2012 IonicContact OE2-NZ 3.42Å; E1994-K2012 PolarHBondContact OE2-NZ 2.9Å; I2008-K2012 PolarHBondContact O-N 3Å; S2009-K2012 PolarHBondContact O-N 3.18Å; K2012-K2014 PolarHBondContact O-N 3.1Å; K2012-A2015 PolarHBondContact O-N 3.36Å; K2012-L2016 HydrophobicContact CG-CD1 4.39Å; K2012-L2016 WeakPolarHBondContact O-CG 2.81Å; K2012-L2016 PolarHBondContact O-N 3.3Å; K2012-L2042 HydrophobicContact CD-CD2 3.94Å; K2012-L2042 HydrophobicContact CG-CD2 4.37Å
2013A76.2Confident72.2Confident0 Ų036.9 Ų36.90%017%0.169CC..Hα-helixtrans-54.5-50.6172.100000111.3S2009 L2016 L2017 F2039 L2042S2009-A2013 VanDerWaalsContact O-CB 3.3Å; S2009-A2013 WeakPolarHBondContact O-CB 3.45Å; S2009-A2013 PolarHBondContact O-N 3.49Å; A2013-L2016 PolarHBondContact O-N 3.37Å; A2013-L2017 WeakPolarHBondContact O-CG 3.5Å; A2013-L2017 PolarHBondContact O-N 3.15Å; A2013-L2017 VanDerWaalsContact O-N 3.1Å; A2013-F2039 HydrophobicContact CB-CD2 4.22Å; A2013-F2039 HydrophobicContact CB-CE2 3.61Å; A2013-F2039 HydrophobicContact CB-CZ 4.41Å; A2013-L2042 HydrophobicContact CB-CD1 3.76Å
2014K76.4Confident73.1Confident103 Ų10329.4 Ų29.445%0.44814%0.141SC..Hα-helixtrans-64-41.7176.8-74.8173.1-177167.70113.3D2010 M2011 K2012 L2016 L2017 V2018D2010-K2014 WeakPolarHBondContact O-CG 3.5Å; D2010-K2014 PolarHBondContact O-N 2.93Å; D2010-K2014 VanDerWaalsContact O-N 3.11Å; M2011-K2014 PolarHBondContact O-N 3.44Å; K2012-K2014 PolarHBondContact O-N 3.1Å; K2014-L2016 VanDerWaalsContact C-N 3.35Å; K2014-L2016 PolarHBondContact O-N 3.24Å; K2014-L2017 PolarHBondContact O-N 3.18Å; K2014-V2018 WeakPolarHBondContact O-CG2 3.5Å; K2014-V2018 PolarHBondContact O-N 2.92Å
2015A76Confident73.8Confident13 Ų1331.4 Ų31.411%0.10715%0.145CC..Hα-helixtrans-62.5-41.817800000111.8I1987 L1990 M2011 K2012 A2019I1987-A2015 HydrophobicContact CG1-CB 4.25Å; L1990-A2015 HydrophobicContact CD1-CB 4.36Å; M2011-A2015 WeakPolarHBondContact O-CB 3.39Å; M2011-A2015 PolarHBondContact O-N 2.96Å; K2012-A2015 PolarHBondContact O-N 3.36Å; A2015-A2019 VanDerWaalsContact O-CB 3.27Å; A2015-A2019 WeakPolarHBondContact O-CB 3.38Å; A2015-A2019 PolarHBondContact O-N 2.89Å
2016L78.6Confident74.3Confident4 Ų430.6 Ų30.62%0.02114%0.14CC..Hα-helixtrans-63.4-41.3175.5-75.1166.3000112.5I1987 K2012 A2013 K2014 A2019 A2020 C2035 N2038 L2042I1987-L2016 HydrophobicContact CD1-CD2 3.71Å; I1987-L2016 HydrophobicContact CD1-CG 4.35Å; I1987-L2016 HydrophobicContact CG1-CD2 4.2Å; I1987-L2016 HydrophobicContact CG1-CG 4.42Å; I1987-L2016 HydrophobicContact CG2-CD2 4.4Å; K2012-L2016 HydrophobicContact CG-CD1 4.39Å; K2012-L2016 WeakPolarHBondContact O-CG 2.81Å; K2012-L2016 PolarHBondContact O-N 3.3Å; A2013-L2016 PolarHBondContact O-N 3.37Å; K2014-L2016 VanDerWaalsContact C-N 3.35Å; K2014-L2016 PolarHBondContact O-N 3.24Å; L2016-A2019 WeakPolarHBondContact O-CB 3.4Å; L2016-A2019 PolarHBondContact O-N 3.47Å; L2016-A2020 WeakPolarHBondContact O-CB 3.46Å; L2016-A2020 PolarHBondContact O-N 3.42Å; L2016-C2035 HydrophobicContact CD2-CB 4.31Å; L2016-N2038 HydrophobicContact CD1-CB 4.33Å; L2016-N2038 HydrophobicContact CD2-CB 4.06Å; L2016-L2042 HydrophobicContact CD1-CD1 3.98Å
2017L78.8Confident74.5Confident12 Ų1231.6 Ų31.66%0.06315%0.148CC..Hα-helixtrans-69.1-42.2178.7-69.6169000112.8A2013 K2014 A2019 A2020 K2021 L2036 F2039 D2049 T2052 W2053A2013-L2017 WeakPolarHBondContact O-CG 3.5Å; A2013-L2017 PolarHBondContact O-N 3.15Å; A2013-L2017 VanDerWaalsContact O-N 3.1Å; K2014-L2017 PolarHBondContact O-N 3.18Å; L2017-A2019 PolarHBondContact O-N 3.48Å; L2017-A2020 PolarHBondContact O-N 3.44Å; L2017-K2021 WeakPolarHBondContact O-CB 3.38Å; L2017-K2021 PolarHBondContact O-N 3.05Å; L2017-L2036 HydrophobicContact CD2-CD2 4.36Å; L2017-F2039 HydrophobicContact CD1-CD2 4.24Å; L2017-F2039 HydrophobicContact CD1-CE2 3.54Å; L2017-F2039 HydrophobicContact CD1-CZ 4.11Å; L2017-F2039 HydrophobicContact CD2-CD2 4.13Å; L2017-F2039 HydrophobicContact CD2-CE2 4.12Å; L2017-F2039 HydrophobicContact CG-CD2 3.9Å; L2017-F2039 HydrophobicContact CG-CE2 3.72Å; L2017-D2049 HydrophobicContact CD1-CB 3.78Å; L2017-D2049 WeakPolarHBondContact CD1-O 3.43Å; L2017-T2052 WeakPolarHBondContact CD1-OG1 3.49Å; L2017-W2053 HydrophobicContact CD2-CB 3.67Å; L2017-W2053 HydrophobicContact CD2-CG 4.29Å
2018V77Confident74.6Confident23 Ų2326.8 Ų26.814%0.13913%0.13CC..Hα-helixtrans-61.9-38.8172172.60000110N1967 L1983 K2014 K2021 A2022N1967-V2018 HydrophobicContact CB-CG1 3.97Å; N1967-V2018 HydrophobicContact CB-CG2 4.37Å; L1983-V2018 HydrophobicContact CD2-CG1 4.12Å; K2014-V2018 WeakPolarHBondContact O-CG2 3.5Å; K2014-V2018 PolarHBondContact O-N 2.92Å; V2018-K2021 PolarHBondContact O-N 3.4Å; V2018-A2022 VanDerWaalsContact O-CB 3.22Å; V2018-A2022 WeakPolarHBondContact O-CB 3.49Å; V2018-A2022 PolarHBondContact O-N 3.4Å
2019A74.1Confident74.8Confident0 Ų028.3 Ų28.30%014%0.138CC..Hα-helixtrans-65-44.6176.900000112.9L1983 I1987 A2015 L2016 L2017 A2022 A2023 F2031L1983-A2019 HydrophobicContact CB-CB 4.01Å; L1983-A2019 VanDerWaalsContact CD1-CA 3.49Å; L1983-A2019 HydrophobicContact CD1-CB 3.67Å; L1983-A2019 HydrophobicContact CD2-CB 4.14Å; L1983-A2019 HydrophobicContact CG-CB 4.16Å; I1987-A2019 HydrophobicContact CD1-CB 4.38Å; A2015-A2019 VanDerWaalsContact O-CB 3.27Å; A2015-A2019 WeakPolarHBondContact O-CB 3.38Å; A2015-A2019 PolarHBondContact O-N 2.89Å; L2016-A2019 WeakPolarHBondContact O-CB 3.4Å; L2016-A2019 PolarHBondContact O-N 3.47Å; L2017-A2019 PolarHBondContact O-N 3.48Å; A2019-A2022 PolarHBondContact O-N 2.8Å; A2019-A2023 VanDerWaalsContact O-CB 3.22Å; A2019-A2023 WeakPolarHBondContact O-CB 3.49Å; A2019-A2023 PolarHBondContact O-N 3.27Å; A2019-F2031 HydrophobicContact CB-CE1 4.48Å
2020A76.7Confident74.8Confident1 Ų130.6 Ų30.61%0.00815%0.154CC..Hα-helixtrans-61.7-46175.100000112.1L2016 L2017 A2022 A2023 R2024 C2035 L2036L2016-A2020 WeakPolarHBondContact O-CB 3.46Å; L2016-A2020 PolarHBondContact O-N 3.42Å; L2017-A2020 PolarHBondContact O-N 3.44Å; A2020-A2022 VanDerWaalsContact C-N 3.29Å; A2020-A2022 PolarHBondContact O-N 3.32Å; A2020-A2023 PolarHBondContact O-N 3.48Å; A2020-R2024 WeakPolarHBondContact O-CB 3.15Å; A2020-R2024 PolarHBondContact O-N 3.01Å; A2020-C2035 HydrophobicContact CB-CB 4.17Å; A2020-L2036 HydrophobicContact CB-CD1 4.19Å; A2020-L2036 HydrophobicContact CB-CD2 3.6Å; A2020-L2036 HydrophobicContact CB-CG 3.6Å
2021K79Confident75Confident47 Ų4730.4 Ų30.420%0.20415%0.152CC..Hα-helixtrans-59.2-41.2174.9179.2175.7178.2177.50111.8E1968 L2017 V2018 K2025 E2056E1968-K2021 IonicContact OE1-NZ 3.78Å; E1968-K2021 PolarHBondContact OE1-NZ 2.91Å; L2017-K2021 WeakPolarHBondContact O-CB 3.38Å; L2017-K2021 PolarHBondContact O-N 3.05Å; V2018-K2021 PolarHBondContact O-N 3.4Å; K2021-K2025 WeakPolarHBondContact O-CG 3.45Å; K2021-K2025 PolarHBondContact O-N 2.91Å; K2021-E2056 HydrophobicContact CB-CG 4.25Å
2022A75Confident75.2Confident1 Ų129 Ų291%0.00815%0.145CC..Hα-helixtrans-69.8-47.5179.500000112.4I1971 V1979 L1983 V2018 A2019 A2020 R2024 K2025 L2026I1971-A2022 HydrophobicContact CB-CB 4.35Å; I1971-A2022 HydrophobicContact CD1-CB 3.77Å; I1971-A2022 HydrophobicContact CG1-CB 3.74Å; I1971-A2022 HydrophobicContact CG2-CB 3.66Å; V1979-A2022 HydrophobicContact CG1-CB 3.71Å; L1983-A2022 HydrophobicContact CD1-CB 4.1Å; V2018-A2022 VanDerWaalsContact O-CB 3.22Å; V2018-A2022 WeakPolarHBondContact O-CB 3.49Å; V2018-A2022 PolarHBondContact O-N 3.4Å; A2019-A2022 PolarHBondContact O-N 2.8Å; A2020-A2022 VanDerWaalsContact C-N 3.29Å; A2020-A2022 PolarHBondContact O-N 3.32Å; A2022-R2024 VanDerWaalsContact C-N 3.31Å; A2022-R2024 PolarHBondContact O-N 3.08Å; A2022-K2025 PolarHBondContact O-N 3.11Å; A2022-K2025 VanDerWaalsContact O-N 3.16Å; A2022-L2026 VanDerWaalsContact O-CG 3.32Å; A2022-L2026 WeakPolarHBondContact O-CG 3.47Å; A2022-L2026 PolarHBondContact O-N 3.37Å
2023A73.6Confident75.3Confident1 Ų130.5 Ų30.51%0.00815%0.154CC..Hα-helixtrans-57.2-44175.800000111.8A2019 A2020 K2025 L2026 N2027 M2028 F2031 A2032A2019-A2023 VanDerWaalsContact O-CB 3.22Å; A2019-A2023 WeakPolarHBondContact O-CB 3.49Å; A2019-A2023 PolarHBondContact O-N 3.27Å; A2020-A2023 PolarHBondContact O-N 3.48Å; A2023-K2025 PolarHBondContact O-N 3.26Å; A2023-L2026 CarbonylContact O-C 3.48Å; A2023-L2026 PolarHBondContact O-N 3.08Å; A2023-N2027 PolarHBondContact O-N 2.96Å; A2023-N2027 VanDerWaalsContact O-N 3.11Å; A2023-M2028 HydrophobicContact CB-CB 4.22Å; A2023-M2028 HydrophobicContact CB-CE 4.33Å; A2023-M2028 PolarHBondContact O-N 3.17Å; A2023-F2031 HydrophobicContact CB-CB 4.5Å; A2023-F2031 HydrophobicContact CB-CD1 3.76Å; A2023-A2032 HydrophobicContact CB-CB 3.8Å
2024R78.1Confident75.3Confident45 Ų4535.3 Ų35.317%0.1718%0.18CC..Hα-helixtrans-60-45.2174.8-178.8-179.360.479.3-4.3112.7A2020 A2022 L2026 N2027 E2056 L2059 A2063A2020-R2024 WeakPolarHBondContact O-CB 3.15Å; A2020-R2024 PolarHBondContact O-N 3.01Å; A2022-R2024 VanDerWaalsContact C-N 3.31Å; A2022-R2024 PolarHBondContact O-N 3.08Å; R2024-L2026 VanDerWaalsContact C-N 3.27Å; R2024-L2026 PolarHBondContact O-N 3.47Å; R2024-N2027 PolarHBondContact O-N 3.25Å; R2024-E2056 IonicContact CZ-OE2 3.12Å; R2024-E2056 IonicContact NE-OE2 2.63Å; R2024-E2056 PolarHBondContact NE-OE2 2.8Å; R2024-E2056 IonicContact NH2-OE1 3.07Å; R2024-E2056 PolarHBondContact NH2-OE1 3.23Å; R2024-E2056 IonicContact NH2-OE2 2.81Å; R2024-E2056 PolarHBondContact NH2-OE2 3.24Å; R2024-L2059 VanDerWaalsContact CD-C 3.42Å; R2024-L2059 WeakPolarHBondContact CD-O 3.27Å; R2024-A2063 HydrophobicContact CG-CB 4.1Å
2025K74Confident75.3Confident78 Ų7830.6 Ų30.634%0.33916%0.16SC..Hα-helixtrans-65.7-30178.6-78.6-170.1175.8-169.10113.2I1971 L1972 K2021 A2022 A2023 N2027I1971-K2025 HydrophobicContact CD1-CD 4.17Å; I1971-K2025 HydrophobicContact CG2-CB 4.33Å; L1972-K2025 HydrophobicContact CD2-CB 4.02Å; L1972-K2025 WeakPolarHBondContact CD2-O 3.38Å; K2021-K2025 WeakPolarHBondContact O-CG 3.45Å; K2021-K2025 PolarHBondContact O-N 2.91Å; A2022-K2025 PolarHBondContact O-N 3.11Å; A2022-K2025 VanDerWaalsContact O-N 3.16Å; A2023-K2025 PolarHBondContact O-N 3.26Å; K2025-N2027 VanDerWaalsContact C-N 3.29Å
2026L70.8Confident75.6Confident10 Ų1030.3 Ų30.35%0.05216%0.157CC..THydrogen-bonded Turntrans-90.78.8176.6-61.3164.9000112.5I1971 V1979 A2022 A2023 R2024 M2028 Q2401I1971-L2026 HydrophobicContact CG2-CD1 3.63Å; I1971-L2026 HydrophobicContact CG2-CD2 4.04Å; I1971-L2026 HydrophobicContact CG2-CG 3.63Å; V1979-L2026 HydrophobicContact CB-CD1 3.96Å; V1979-L2026 HydrophobicContact CG1-CD1 4.01Å; V1979-L2026 HydrophobicContact CG2-CD1 4.14Å; A2022-L2026 VanDerWaalsContact O-CG 3.32Å; A2022-L2026 WeakPolarHBondContact O-CG 3.47Å; A2022-L2026 PolarHBondContact O-N 3.37Å; A2023-L2026 CarbonylContact O-C 3.48Å; A2023-L2026 PolarHBondContact O-N 3.08Å; R2024-L2026 VanDerWaalsContact C-N 3.27Å; R2024-L2026 PolarHBondContact O-N 3.47Å; L2026-M2028 HydrophobicContact CB-CE 4.08Å; L2026-M2028 HydrophobicContact CD1-CE 3.78Å; L2026-M2028 PolarHBondContact O-N 3.44Å; L2026-Q2401 HydrophobicContact CD2-CG 4.04Å
2027N70.6Confident75.7Confident114 Ų11431.6 Ų31.661%0.6117%0.171SC*.THydrogen-bonded Turntrans59.222.8-178.1-144.820.1000115.5A2023 R2024 K2025 L2029A2023-N2027 PolarHBondContact O-N 2.96Å; A2023-N2027 VanDerWaalsContact O-N 3.11Å; R2024-N2027 PolarHBondContact O-N 3.25Å; K2025-N2027 VanDerWaalsContact C-N 3.29Å; N2027-L2029 PolarHBondContact O-N 3.47Å
2028M70Confident75.6Confident7 Ų735.4 Ų35.43%0.03419%0.191CC..  trans-87.970.6173.2-66.8-172.6-68.300111.1Q1818 A2023 L2026 S2030 F2031 A2032Q1818-M2028 VanDerWaalsContact O-SD 3.36Å; A2023-M2028 HydrophobicContact CB-CB 4.22Å; A2023-M2028 HydrophobicContact CB-CE 4.33Å; A2023-M2028 PolarHBondContact O-N 3.17Å; L2026-M2028 HydrophobicContact CB-CE 4.08Å; L2026-M2028 HydrophobicContact CD1-CE 3.78Å; L2026-M2028 PolarHBondContact O-N 3.44Å; M2028-S2030 VanDerWaalsContact C-N 3.35Å; M2028-S2030 PolarHBondContact O-N 2.71Å; M2028-F2031 HydrophobicContact CB-CB 4.38Å; M2028-F2031 PolarHBondContact O-N 3Å; M2028-A2032 PolarHBondContact O-N 3.08Å; M2028-A2032 VanDerWaalsContact O-N 3.16Å
2029L73.8Confident75.7Confident35 Ų3535 Ų3518%0.18319%0.188CC..Hα-helixtrans-67.1-32.7-168.6-59.2170.4000113.2N2027 A2032 D2033 M2060 A2063 K2064N2027-L2029 PolarHBondContact O-N 3.47Å; L2029-A2032 PolarHBondContact O-N 2.82Å; L2029-D2033 PolarHBondContact O-N 2.92Å; L2029-M2060 HydrophobicContact CD2-CG 4.27Å; L2029-A2063 HydrophobicContact CD2-CB 3.86Å; L2029-K2064 HydrophobicContact CD1-CG 3.77Å; L2029-K2064 HydrophobicContact CG-CG 4.5Å
2030S72.5Confident75.6Confident55 Ų5543.5 Ų43.539%0.38522%0.22SC..Hα-helixtrans-66.3-43176.852.50000112.9M2028 A2032 D2033 D2034M2028-S2030 VanDerWaalsContact C-N 3.35Å; M2028-S2030 PolarHBondContact O-N 2.71Å; S2030-A2032 VanDerWaalsContact C-N 3.32Å; S2030-A2032 PolarHBondContact O-N 2.8Å; S2030-D2033 WeakPolarHBondContact O-CB 3.28Å; S2030-D2033 PolarHBondContact O-N 3.01Å; S2030-D2034 PolarHBondContact O-N 2.88Å
2031F73.9Confident75.5Confident29 Ų2948.6 Ų48.613%0.12725%0.251CS..Hα-helixtrans-70-32177.8-176.4-112.5000111.8A2019 A2023 M2028 D2034 C2035A2019-F2031 HydrophobicContact CB-CE1 4.48Å; A2023-F2031 HydrophobicContact CB-CB 4.5Å; A2023-F2031 HydrophobicContact CB-CD1 3.76Å; M2028-F2031 HydrophobicContact CB-CB 4.38Å; M2028-F2031 PolarHBondContact O-N 3Å; F2031-D2034 PolarHBondContact O-N 3.46Å; F2031-C2035 WeakPolarHBondContact O-CB 3.38Å; F2031-C2035 PolarHBondContact O-N 3.27Å; F2031-C2035 PolarHBondContact O-SG 3.36Å
2032A77Confident75.1Confident0 Ų048 Ų480%025%0.249CC..Hα-helixtrans-63-45.5171.900000111.4A2023 M2028 L2029 S2030 C2035 L2036 M2060A2023-A2032 HydrophobicContact CB-CB 3.8Å; M2028-A2032 PolarHBondContact O-N 3.08Å; M2028-A2032 VanDerWaalsContact O-N 3.16Å; L2029-A2032 PolarHBondContact O-N 2.82Å; S2030-A2032 VanDerWaalsContact C-N 3.32Å; S2030-A2032 PolarHBondContact O-N 2.8Å; A2032-C2035 PolarHBondContact O-N 2.91Å; A2032-L2036 WeakPolarHBondContact O-CB 3.39Å; A2032-L2036 VanDerWaalsContact O-CG 3.26Å; A2032-L2036 WeakPolarHBondContact O-CG 3.45Å; A2032-L2036 PolarHBondContact O-N 3.24Å; A2032-M2060 HydrophobicContact CB-CG 4.42Å; A2032-M2060 HydrophobicContact CB-SD 4.03Å
2033D79.5Confident74.7Confident62 Ų6256.3 Ų56.333%0.33229%0.288SS..Hα-helixtrans-58.5-47174.9-86.7-32.1000111.4L2029 S2030 C2035 L2036 G2037 M2060 K2064L2029-D2033 PolarHBondContact O-N 2.92Å; S2030-D2033 WeakPolarHBondContact O-CB 3.28Å; S2030-D2033 PolarHBondContact O-N 3.01Å; D2033-C2035 PolarHBondContact O-N 3.25Å; D2033-L2036 PolarHBondContact O-N 3.43Å; D2033-G2037 PolarHBondContact O-N 3.12Å; D2033-M2060 WeakPolarHBondContact OD1-CE 3.48Å; D2033-K2064 IonicContact OD1-NZ 3.87Å; D2033-K2064 PolarHBondContact OD1-NZ 2.93Å; D2033-K2064 IonicContact OD2-NZ 2.68Å; D2033-K2064 PolarHBondContact OD2-NZ 3.34Å
2034D76.7Confident74.5Confident102 Ų10261.1 Ų61.155%0.54531%0.307SS..Hα-helixtrans-61.2-42.8178.6-74-18.1000111.7S2030 F2031 G2037 N2038S2030-D2034 PolarHBondContact O-N 2.88Å; F2031-D2034 PolarHBondContact O-N 3.46Å; D2034-G2037 PolarHBondContact O-N 2.92Å; D2034-N2038 WeakPolarHBondContact O-CB 3.41Å; D2034-N2038 PolarHBondContact O-N 3.41Å; D2034-N2038 PolarHBondContact O-ND2 2.69Å; D2034-N2038 VanDerWaalsContact O-ND2 3.15Å
2035C76.6Confident73.9Confident3 Ų361.1 Ų61.12%0.0232%0.316CS..Hα-helixtrans-65.9-42.8178.1-72.40000112.2L2016 A2020 F2031 A2032 D2033 G2037 N2038 F2039L2016-C2035 HydrophobicContact CD2-CB 4.31Å; A2020-C2035 HydrophobicContact CB-CB 4.17Å; F2031-C2035 WeakPolarHBondContact O-CB 3.38Å; F2031-C2035 PolarHBondContact O-N 3.27Å; F2031-C2035 PolarHBondContact O-SG 3.36Å; A2032-C2035 PolarHBondContact O-N 2.91Å; D2033-C2035 PolarHBondContact O-N 3.25Å; C2035-G2037 VanDerWaalsContact C-N 3.33Å; C2035-N2038 PolarHBondContact O-N 3.39Å; C2035-F2039 PolarHBondContact O-N 3.31Å
2036L80.7Confident73.9Confident8 Ų859.4 Ų59.44%0.04231%0.312CS..Hα-helixtrans-70.1-30.9176.9-67.6168000112L2017 A2020 A2032 D2033 W2053 E2056 M2060L2017-L2036 HydrophobicContact CD2-CD2 4.36Å; A2020-L2036 HydrophobicContact CB-CD1 4.19Å; A2020-L2036 HydrophobicContact CB-CD2 3.6Å; A2020-L2036 HydrophobicContact CB-CG 3.6Å; A2032-L2036 WeakPolarHBondContact O-CB 3.39Å; A2032-L2036 VanDerWaalsContact O-CG 3.26Å; A2032-L2036 WeakPolarHBondContact O-CG 3.45Å; A2032-L2036 PolarHBondContact O-N 3.24Å; D2033-L2036 PolarHBondContact O-N 3.43Å; L2036-W2053 HydrophobicContact CD2-CG 4.49Å; L2036-W2053 PolarHBondContact O-NE1 2.96Å; L2036-E2056 HydrophobicContact CD2-CB 4.41Å; L2036-M2060 HydrophobicContact CD1-CE 4.33Å; L2036-M2060 HydrophobicContact CD1-SD 3.73Å
2037G81.1Confident73.9Confident31 Ų3162.5 Ų62.532%0.3233%0.333SS..Hα-helixtrans-67.6-46.7171.800000112.2D2033 D2034 C2035 F2039 R2040D2033-G2037 PolarHBondContact O-N 3.12Å; D2034-G2037 PolarHBondContact O-N 2.92Å; C2035-G2037 VanDerWaalsContact C-N 3.33Å; G2037-F2039 PolarHBondContact O-N 3.5Å; G2037-R2040 VanDerWaalsContact O-CB 3.32Å; G2037-R2040 WeakPolarHBondContact O-CB 3.42Å; G2037-R2040 PolarHBondContact O-N 3.25Å
2038N77.5Confident74.1Confident92 Ų9262.3 Ų62.349%0.49233%0.327SS..Hα-helixtrans-62.6-29.8177-73.4-30.2000112.9L2016 D2034 C2035 R2040 V2041L2016-N2038 HydrophobicContact CD1-CB 4.33Å; L2016-N2038 HydrophobicContact CD2-CB 4.06Å; D2034-N2038 WeakPolarHBondContact O-CB 3.41Å; D2034-N2038 PolarHBondContact O-N 3.41Å; D2034-N2038 PolarHBondContact O-ND2 2.69Å; D2034-N2038 VanDerWaalsContact O-ND2 3.15Å; C2035-N2038 PolarHBondContact O-N 3.39Å; N2038-R2040 VanDerWaalsContact C-N 3.26Å; N2038-R2040 PolarHBondContact O-N 3.13Å; N2038-V2041 PolarHBondContact O-N 2.91Å
2039F79.4Confident74.3Confident14 Ų1462.6 Ų62.66%0.06133%0.328CS..Hα-helixtrans-61.3-34.1173-171.7-85.8000112.2A2013 L2017 C2035 G2037 V2041 L2042 A2045 D2049 W2053A2013-F2039 HydrophobicContact CB-CD2 4.22Å; A2013-F2039 HydrophobicContact CB-CE2 3.61Å; A2013-F2039 HydrophobicContact CB-CZ 4.41Å; L2017-F2039 HydrophobicContact CD1-CD2 4.24Å; L2017-F2039 HydrophobicContact CD1-CE2 3.54Å; L2017-F2039 HydrophobicContact CD1-CZ 4.11Å; L2017-F2039 HydrophobicContact CD2-CD2 4.13Å; L2017-F2039 HydrophobicContact CD2-CE2 4.12Å; L2017-F2039 HydrophobicContact CG-CD2 3.9Å; L2017-F2039 HydrophobicContact CG-CE2 3.72Å; C2035-F2039 PolarHBondContact O-N 3.31Å; G2037-F2039 PolarHBondContact O-N 3.5Å; F2039-V2041 PolarHBondContact O-N 3.3Å; F2039-L2042 HydrophobicContact CD2-CD1 4.2Å; F2039-L2042 PolarHBondContact O-N 3.06Å; F2039-A2045 HydrophobicContact CE1-CB 4.34Å; F2039-A2045 HydrophobicContact CZ-CB 3.94Å; F2039-D2049 HydrophobicContact CE2-CB 4.39Å; F2039-D2049 HydrophobicContact CZ-CB 4.09Å; F2039-W2053 HydrophobicContact CD1-CB 4.39Å; F2039-W2053 AromaticContact CD1-CD1 3.71Å; F2039-W2053 AromaticContact CD1-CG 3.97Å; F2039-W2053 HydrophobicContact CD1-CG 3.97Å; F2039-W2053 HydrophobicContact CE1-CB 4.15Å; F2039-W2053 HydrophobicContact CE1-CG 4.15Å; F2039-W2053 AromaticContact CG-CD1 3.99Å
2040R71.6Confident74.3Confident178 Ų17863.5 Ų63.567%0.67234%0.335SS*.THydrogen-bonded Turntrans-65.4-20.3178.6-64.9-177.9171.2172.61.4113.5G2037 N2038 W2053G2037-R2040 VanDerWaalsContact O-CB 3.32Å; G2037-R2040 WeakPolarHBondContact O-CB 3.42Å; G2037-R2040 PolarHBondContact O-N 3.25Å; N2038-R2040 VanDerWaalsContact C-N 3.26Å; N2038-R2040 PolarHBondContact O-N 3.13Å; R2040-W2053 HydrophobicContact CG-CZ2 4.17Å
2041V74.5Confident74.4Confident109 Ų10961 Ų6166%0.66132%0.318SS*.THydrogen-bonded Turntrans-89.2-6.5-176.8-165.80000111.7N2038 F2039N2038-V2041 PolarHBondContact O-N 2.91Å; F2039-V2041 PolarHBondContact O-N 3.3Å
2042L70.5Confident74.4Confident34 Ų3461.4 Ų61.418%0.17832%0.323CS..  trans-76.7133.1179.9-66.3174.8000112.3K2012 A2013 L2016 F2039K2012-L2042 HydrophobicContact CD-CD2 3.94Å; K2012-L2042 HydrophobicContact CG-CD2 4.37Å; A2013-L2042 HydrophobicContact CB-CD1 3.76Å; L2016-L2042 HydrophobicContact CD1-CD1 3.98Å; F2039-L2042 HydrophobicContact CD2-CD1 4.2Å; F2039-L2042 PolarHBondContact O-N 3.06Å
2043H67.4Low74.6Confident175 Ų17563.6 Ų63.681%0.8133%0.331SS*.SBendtrans-77.5-20.5-179.7-68.1-59.5000114.8
2044Y67.7Low74.4Confident103 Ų10361.6 Ų61.640%0.40432%0.32SS..  trans-135.7123.9-179-55.7-79000109.9Q2006Q2006-Y2044 HydrophobicContact CG-CG 4.47Å
2045A66.5Low74.4Confident45 Ų4559 Ų5937%0.37230%0.304SS..  trans-148.3148175.200000110.6F2039 V2050F2039-A2045 HydrophobicContact CE1-CB 4.34Å; F2039-A2045 HydrophobicContact CZ-CB 3.94Å; A2045-V2050 HydrophobicContact CB-CG2 4.46Å
2046T74Confident74.4Confident42 Ų4259.5 Ų59.526%0.25831%0.306SS..  trans-82.5149.9178.676.90000111.4K2048 D2049 V2050T2046-K2048 PolarHBondContact O-N 3.44Å; T2046-K2048 VanDerWaalsContact O-N 3.14Å; T2046-D2049 WeakPolarHBondContact CB-OD2 3.47Å; T2046-D2049 WeakPolarHBondContact O-CB 3.33Å; T2046-D2049 PolarHBondContact O-N 3.04Å; T2046-D2049 PolarHBondContact OG1-N 3.49Å; T2046-D2049 PolarHBondContact OG1-OD2 3.04Å; T2046-V2050 PolarHBondContact O-N 3.12Å
2047P70.9Confident74.2Confident74 Ų7459.5 Ų59.548%0.48131%0.307SS..Hα-helixtrans-61-25.9178.821.8-32.5000113G2051 F2092P2047-G2051 PolarHBondContact O-N 2.65Å; P2047-F2092 WeakPolarHBondContact CB-O 3.46Å
2048K73.4Confident73.7Confident111 Ų11158.2 Ų58.248%0.48329%0.293SS..Hα-helixtrans-66.2-43.8171.7-175.5169-177.51620111.8T2046 V2050 G2051 T2052 P2094T2046-K2048 PolarHBondContact O-N 3.44Å; T2046-K2048 VanDerWaalsContact O-N 3.14Å; K2048-V2050 VanDerWaalsContact C-N 3.34Å; K2048-G2051 PolarHBondContact O-N 3Å; K2048-T2052 PolarHBondContact O-N 3.36Å; K2048-T2052 VanDerWaalsContact O-N 3.08Å; K2048-T2052 PolarHBondContact O-OG1 2.87Å; K2048-P2094 HydrophobicContact CB-CG 4.21Å
2049D74.3Confident73.5Confident12 Ų1255.6 Ų55.66%0.06428%0.279CS..Hα-helixtrans-66.5-38178.8-60.2-39.4000110.8L2017 F2039 T2046 T2052 W2053L2017-D2049 HydrophobicContact CD1-CB 3.78Å; L2017-D2049 WeakPolarHBondContact CD1-O 3.43Å; F2039-D2049 HydrophobicContact CE2-CB 4.39Å; F2039-D2049 HydrophobicContact CZ-CB 4.09Å; T2046-D2049 WeakPolarHBondContact CB-OD2 3.47Å; T2046-D2049 WeakPolarHBondContact O-CB 3.33Å; T2046-D2049 PolarHBondContact O-N 3.04Å; T2046-D2049 PolarHBondContact OG1-N 3.49Å; T2046-D2049 PolarHBondContact OG1-OD2 3.04Å; D2049-T2052 VanDerWaalsContact CA-OG1 3.32Å; D2049-T2052 WeakPolarHBondContact CA-OG1 3.2Å; D2049-T2052 PolarHBondContact O-N 3.36Å; D2049-T2052 PolarHBondContact O-OG1 3.12Å; D2049-W2053 WeakPolarHBondContact O-CB 3.29Å; D2049-W2053 PolarHBondContact O-N 3.21Å
2050V75.7Confident73.4Confident54 Ų5455.1 Ų55.133%0.32728%0.277SS..Hα-helixtrans-62.7-43.8172.8179.10000111.6A2045 T2046 K2048 T2052 W2053 I2054A2045-V2050 HydrophobicContact CB-CG2 4.46Å; T2046-V2050 PolarHBondContact O-N 3.12Å; K2048-V2050 VanDerWaalsContact C-N 3.34Å; V2050-T2052 VanDerWaalsContact C-N 3.31Å; V2050-T2052 PolarHBondContact O-N 3.09Å; V2050-W2053 WeakPolarHBondContact O-CB 3.48Å; V2050-W2053 PolarHBondContact O-N 3.46Å; V2050-W2053 VanDerWaalsContact O-N 3.13Å; V2050-I2054 HydrophobicContact CG1-CD1 4.44Å; V2050-I2054 WeakPolarHBondContact O-CG1 3.22Å; V2050-I2054 PolarHBondContact O-N 3.41Å
2051G72.8Confident73.3Confident2 Ų248 Ų482%0.02125%0.251CS..Hα-helixtrans-59.5-40.6174.200000112.8P2047 K2048 K2055P2047-G2051 PolarHBondContact O-N 2.65Å; K2048-G2051 PolarHBondContact O-N 3Å; G2051-K2055 PolarHBondContact O-N 2.97Å
2052T75.5Confident73Confident39 Ų3945 Ų4524%0.23923%0.231CC..Hα-helixtrans-70.5-30.8174.352.10000113.4L2017 K2048 D2049 V2050 K2055 E2056L2017-T2052 WeakPolarHBondContact CD1-OG1 3.49Å; K2048-T2052 PolarHBondContact O-N 3.36Å; K2048-T2052 VanDerWaalsContact O-N 3.08Å; K2048-T2052 PolarHBondContact O-OG1 2.87Å; D2049-T2052 VanDerWaalsContact CA-OG1 3.32Å; D2049-T2052 WeakPolarHBondContact CA-OG1 3.2Å; D2049-T2052 PolarHBondContact O-N 3.36Å; D2049-T2052 PolarHBondContact O-OG1 3.12Å; V2050-T2052 VanDerWaalsContact C-N 3.31Å; V2050-T2052 PolarHBondContact O-N 3.09Å; T2052-K2055 PolarHBondContact O-N 3.31Å; T2052-E2056 WeakPolarHBondContact O-CG 3.03Å; T2052-E2056 PolarHBondContact O-N 3.4Å
2053W80.7Confident72.8Confident45 Ų4544.2 Ų44.217%0.1723%0.229CC..Hα-helixtrans-62.8-48.7173.5175.278.5000111.2L2017 L2036 F2039 R2040 D2049 V2050 K2055 E2056 C2057L2017-W2053 HydrophobicContact CD2-CB 3.67Å; L2017-W2053 HydrophobicContact CD2-CG 4.29Å; L2036-W2053 HydrophobicContact CD2-CG 4.49Å; L2036-W2053 PolarHBondContact O-NE1 2.96Å; F2039-W2053 HydrophobicContact CD1-CB 4.39Å; F2039-W2053 AromaticContact CD1-CD1 3.71Å; F2039-W2053 AromaticContact CD1-CG 3.97Å; F2039-W2053 HydrophobicContact CD1-CG 3.97Å; F2039-W2053 HydrophobicContact CE1-CB 4.15Å; F2039-W2053 HydrophobicContact CE1-CG 4.15Å; F2039-W2053 AromaticContact CG-CD1 3.99Å; R2040-W2053 HydrophobicContact CG-CZ2 4.17Å; D2049-W2053 WeakPolarHBondContact O-CB 3.29Å; D2049-W2053 PolarHBondContact O-N 3.21Å; V2050-W2053 WeakPolarHBondContact O-CB 3.48Å; V2050-W2053 PolarHBondContact O-N 3.46Å; V2050-W2053 VanDerWaalsContact O-N 3.13Å; W2053-K2055 VanDerWaalsContact C-N 3.3Å; W2053-K2055 PolarHBondContact O-N 3.26Å; W2053-E2056 PolarHBondContact O-N 3.32Å; W2053-C2057 WeakPolarHBondContact O-CB 3.26Å; W2053-C2057 PolarHBondContact O-N 3.5Å; W2053-C2057 PolarHBondContact O-SG 3.36Å; W2053-C2057 VanDerWaalsContact O-SG 3.38Å
2054I76Confident72.6Confident21 Ų2138.8 Ų38.811%0.10820%0.203CC..Hα-helixtrans-58.1-45.2176.4-62.7171.5000110.3V2050 C2057 A2058 A2088 I2093 L2101V2050-I2054 HydrophobicContact CG1-CD1 4.44Å; V2050-I2054 WeakPolarHBondContact O-CG1 3.22Å; V2050-I2054 PolarHBondContact O-N 3.41Å; I2054-C2057 PolarHBondContact O-N 2.63Å; I2054-A2058 WeakPolarHBondContact O-CB 3.35Å; I2054-A2058 PolarHBondContact O-N 3.43Å; I2054-A2088 HydrophobicContact CD1-CB 3.92Å; I2054-I2093 HydrophobicContact CD1-CD1 3.97Å; I2054-L2101 HydrophobicContact CB-CD2 4.36Å; I2054-L2101 HydrophobicContact CG2-CD2 3.99Å
2055K75.9Confident72.3Confident46 Ų4634.1 Ų34.120%0.219%0.185CC..Hα-helixtrans-58.7-49.5177.6-177.7-174.9-177.5179.60112.2G2051 T2052 W2053 A2058 L2059 E2100 L2101G2051-K2055 PolarHBondContact O-N 2.97Å; T2052-K2055 PolarHBondContact O-N 3.31Å; W2053-K2055 VanDerWaalsContact C-N 3.3Å; W2053-K2055 PolarHBondContact O-N 3.26Å; K2055-A2058 PolarHBondContact O-N 3Å; K2055-L2059 HydrophobicContact CG-CD1 4.02Å; K2055-L2059 WeakPolarHBondContact O-CB 2.91Å; K2055-L2059 VanDerWaalsContact O-CG 3.29Å; K2055-L2059 WeakPolarHBondContact O-CG 3.49Å; K2055-L2059 PolarHBondContact O-N 3.25Å; K2055-E2100 IonicContact NZ-OE2 3.04Å; K2055-E2100 PolarHBondContact NZ-OE2 2.95Å; K2055-L2101 HydrophobicContact CB-CD2 3.75Å; K2055-L2101 HydrophobicContact CG-CD2 4.48Å
2056E75.8Confident71.9Confident14 Ų1438.2 Ų38.27%0.06520%0.195CC..Hα-helixtrans-70.8-35-178.6-67.9-61.4153.200112.1K2021 R2024 L2036 T2052 W2053 L2059 M2060K2021-E2056 HydrophobicContact CB-CG 4.25Å; R2024-E2056 IonicContact CZ-OE2 3.12Å; R2024-E2056 IonicContact NE-OE2 2.63Å; R2024-E2056 PolarHBondContact NE-OE2 2.8Å; R2024-E2056 IonicContact NH2-OE1 3.07Å; R2024-E2056 PolarHBondContact NH2-OE1 3.23Å; R2024-E2056 IonicContact NH2-OE2 2.81Å; R2024-E2056 PolarHBondContact NH2-OE2 3.24Å; L2036-E2056 HydrophobicContact CD2-CB 4.41Å; T2052-E2056 WeakPolarHBondContact O-CG 3.03Å; T2052-E2056 PolarHBondContact O-N 3.4Å; W2053-E2056 PolarHBondContact O-N 3.32Å; E2056-L2059 PolarHBondContact O-N 3.07Å; E2056-M2060 WeakPolarHBondContact O-CB 3.47Å; E2056-M2060 PolarHBondContact O-N 3.35Å
2057C76.7Confident70.8Confident8 Ų839.5 Ų39.55%0.05422%0.217CC..Hα-helixtrans-57.5-48.3169.1-76.90000111.6W2053 I2054 M2060 Q2061 M2084W2053-C2057 WeakPolarHBondContact O-CB 3.26Å; W2053-C2057 PolarHBondContact O-N 3.5Å; W2053-C2057 PolarHBondContact O-SG 3.36Å; W2053-C2057 VanDerWaalsContact O-SG 3.38Å; I2054-C2057 PolarHBondContact O-N 2.63Å; C2057-M2060 PolarHBondContact O-N 3.21Å; C2057-Q2061 WeakPolarHBondContact O-CG 3.48Å; C2057-Q2061 PolarHBondContact O-N 3.45Å; C2057-Q2061 VanDerWaalsContact O-N 3.08Å; C2057-M2084 HydrophobicContact CB-CE 3.96Å; C2057-M2084 HydrophobicContact CB-SD 4.46Å
2058A71.3Confident69.9Low4 Ų439.5 Ų39.53%0.03321%0.212CC..Hα-helixtrans-64.2-46.1178.600000112.1I2054 K2055 M2060 Q2061 M2062 A2081 I2085I2054-A2058 WeakPolarHBondContact O-CB 3.35Å; I2054-A2058 PolarHBondContact O-N 3.43Å; K2055-A2058 PolarHBondContact O-N 3Å; A2058-M2060 VanDerWaalsContact C-N 3.29Å; A2058-M2060 PolarHBondContact O-N 2.89Å; A2058-Q2061 PolarHBondContact O-N 3Å; A2058-M2062 WeakPolarHBondContact O-CG 3.47Å; A2058-M2062 PolarHBondContact O-N 3.37Å; A2058-A2081 HydrophobicContact CB-CB 4.28Å; A2058-I2085 HydrophobicContact CB-CD1 3.83Å; A2058-I2085 HydrophobicContact CB-CG1 4Å
2059L73.8Confident68.5Low37 Ų3742.9 Ų42.919%0.19422%0.222CC..Hα-helixtrans-65.6-30.4177.2-69.5174.1000112.7R2024 K2055 E2056 M2062 A2063R2024-L2059 VanDerWaalsContact CD-C 3.42Å; R2024-L2059 WeakPolarHBondContact CD-O 3.27Å; K2055-L2059 HydrophobicContact CG-CD1 4.02Å; K2055-L2059 WeakPolarHBondContact O-CB 2.91Å; K2055-L2059 VanDerWaalsContact O-CG 3.29Å; K2055-L2059 WeakPolarHBondContact O-CG 3.49Å; K2055-L2059 PolarHBondContact O-N 3.25Å; E2056-L2059 PolarHBondContact O-N 3.07Å; L2059-M2062 HydrophobicContact CD2-SD 4.25Å; L2059-M2062 WeakPolarHBondContact O-CB 3.45Å; L2059-M2062 PolarHBondContact O-N 3.3Å; L2059-A2063 PolarHBondContact O-N 2.67Å
2060M75.9Confident67.1Low5 Ų544.3 Ų44.33%0.02523%0.233CC..Hα-helixtrans-71-41.6175.9178.7-160.871.800111.4L2029 A2032 D2033 L2036 E2056 C2057 A2058 M2062 A2063 K2064L2029-M2060 HydrophobicContact CD2-CG 4.27Å; A2032-M2060 HydrophobicContact CB-CG 4.42Å; A2032-M2060 HydrophobicContact CB-SD 4.03Å; D2033-M2060 WeakPolarHBondContact OD1-CE 3.48Å; L2036-M2060 HydrophobicContact CD1-CE 4.33Å; L2036-M2060 HydrophobicContact CD1-SD 3.73Å; E2056-M2060 WeakPolarHBondContact O-CB 3.47Å; E2056-M2060 PolarHBondContact O-N 3.35Å; C2057-M2060 PolarHBondContact O-N 3.21Å; A2058-M2060 VanDerWaalsContact C-N 3.29Å; A2058-M2060 PolarHBondContact O-N 2.89Å; M2060-M2062 VanDerWaalsContact C-N 3.28Å; M2060-M2062 PolarHBondContact O-N 3.44Å; M2060-A2063 WeakPolarHBondContact O-CB 3.46Å; M2060-A2063 PolarHBondContact O-N 3.16Å; M2060-K2064 PolarHBondContact O-N 3.32Å
2061Q71.2Confident65.4Low28 Ų2847.3 Ų47.313%0.13125%0.251CS..Hα-helixtrans-62.1-38.4172.3-65.4-61.9-11.400111.2C2057 A2058 A2063 K2064 A2065 P2077 A2081 M2084C2057-Q2061 WeakPolarHBondContact O-CG 3.48Å; C2057-Q2061 PolarHBondContact O-N 3.45Å; C2057-Q2061 VanDerWaalsContact O-N 3.08Å; A2058-Q2061 PolarHBondContact O-N 3Å; Q2061-A2063 VanDerWaalsContact C-N 3.32Å; Q2061-A2063 PolarHBondContact O-N 2.9Å; Q2061-K2064 PolarHBondContact O-N 3.19Å; Q2061-A2065 PolarHBondContact O-N 2.89Å; Q2061-A2065 VanDerWaalsContact O-N 3.13Å; Q2061-P2077 HydrophobicContact CB-CB 4.45Å; Q2061-A2081 HydrophobicContact CB-CB 4.09Å; Q2061-M2084 HydrophobicContact CG-CE 3.96Å
2062M67.4Low63.9Low46 Ų4654.2 Ų54.223%0.22729%0.287CS..Hα-helixtrans-60.5-38.5170.1-70.6-169.9170.500113A2058 L2059 M2060 A2065 K2066 L2078 A2081 M2108A2058-M2062 WeakPolarHBondContact O-CG 3.47Å; A2058-M2062 PolarHBondContact O-N 3.37Å; L2059-M2062 HydrophobicContact CD2-SD 4.25Å; L2059-M2062 WeakPolarHBondContact O-CB 3.45Å; L2059-M2062 PolarHBondContact O-N 3.3Å; M2060-M2062 VanDerWaalsContact C-N 3.28Å; M2060-M2062 PolarHBondContact O-N 3.44Å; M2062-A2065 WeakPolarHBondContact O-CB 3.27Å; M2062-A2065 PolarHBondContact O-N 2.9Å; M2062-K2066 PolarHBondContact O-N 3.34Å; M2062-L2078 HydrophobicContact CG-CD2 4.07Å; M2062-A2081 HydrophobicContact CG-CB 4.43Å; M2062-M2108 HydrophobicContact CE-SD 4.43Å
2063A65.4Low62.4Low17 Ų1757.5 Ų57.514%0.1430%0.3CS..Hα-helixtrans-68-38.9177.300000112.2R2024 L2029 L2059 M2060 Q2061 A2065 K2066R2024-A2063 HydrophobicContact CG-CB 4.1Å; L2029-A2063 HydrophobicContact CD2-CB 3.86Å; L2059-A2063 PolarHBondContact O-N 2.67Å; M2060-A2063 WeakPolarHBondContact O-CB 3.46Å; M2060-A2063 PolarHBondContact O-N 3.16Å; Q2061-A2063 VanDerWaalsContact C-N 3.32Å; Q2061-A2063 PolarHBondContact O-N 2.9Å; A2063-A2065 PolarHBondContact O-N 3.04Å; A2063-K2066 PolarHBondContact O-N 2.85Å; A2063-K2066 VanDerWaalsContact O-N 3.16Å
2064K64.9Low60.7Low62 Ų6258.3 Ų58.327%0.2731%0.306SS..Hα-helixtrans-58.7-36.2171.4-75.7176.6177.3177.60112.1L2029 D2033 M2060 Q2061 K2066L2029-K2064 HydrophobicContact CD1-CG 3.77Å; L2029-K2064 HydrophobicContact CG-CG 4.5Å; D2033-K2064 IonicContact OD1-NZ 3.87Å; D2033-K2064 PolarHBondContact OD1-NZ 2.93Å; D2033-K2064 IonicContact OD2-NZ 2.68Å; D2033-K2064 PolarHBondContact OD2-NZ 3.34Å; M2060-K2064 PolarHBondContact O-N 3.32Å; Q2061-K2064 PolarHBondContact O-N 3.19Å; K2064-K2066 VanDerWaalsContact C-N 3.33Å; K2064-K2066 PolarHBondContact O-N 3.2Å
2065A61.5Low59.3Low4 Ų459.7 Ų59.73%0.03332%0.321CS..Hα-helixtrans-64.8-33.7177.100000113Q2061 M2062 A2063 G2067 L2068 M2074 P2077 L2078Q2061-A2065 PolarHBondContact O-N 2.89Å; Q2061-A2065 VanDerWaalsContact O-N 3.13Å; M2062-A2065 WeakPolarHBondContact O-CB 3.27Å; M2062-A2065 PolarHBondContact O-N 2.9Å; A2063-A2065 PolarHBondContact O-N 3.04Å; A2065-G2067 PolarHBondContact O-N 3.18Å; A2065-L2068 PolarHBondContact O-N 3.15Å; A2065-M2074 WeakPolarHBondContact O-CG 3.4Å; A2065-P2077 HydrophobicContact CB-CB 4.49Å; A2065-P2077 HydrophobicContact CB-CG 3.87Å; A2065-L2078 HydrophobicContact CB-CD1 4.46Å; A2065-L2078 HydrophobicContact CB-CD2 4.42Å; A2065-L2078 HydrophobicContact CB-CG 4.01Å
2066K56.3Low58.1Low132 Ų13265.5 Ų65.557%0.57434%0.343SS*.THydrogen-bonded Turntrans-66.9-18.1-177.4-70.3-172.3174.6-164.30114.9M2062 A2063 K2064M2062-K2066 PolarHBondContact O-N 3.34Å; A2063-K2066 PolarHBondContact O-N 2.85Å; A2063-K2066 VanDerWaalsContact O-N 3.16Å; K2064-K2066 VanDerWaalsContact C-N 3.33Å; K2064-K2066 PolarHBondContact O-N 3.2Å
2067G52Low57Low69 Ų6965.4 Ų65.471%0.71134%0.343SS*.THydrogen-bonded Turntrans-91.6-6.7-177.800000115.4A2065A2065-G2067 PolarHBondContact O-N 3.18Å
2068L50.7Low55.7Low73 Ų7368.5 Ų68.538%0.38236%0.359SS..  trans-99130.1-171.4-68.1161000110.8A2065 S2070 E2073 M2074A2065-L2068 PolarHBondContact O-N 3.15Å; L2068-S2070 VanDerWaalsContact C-N 3.31Å; L2068-S2070 PolarHBondContact O-N 3.23Å; L2068-E2073 HydrophobicContact CB-CB 4.31Å; L2068-E2073 HydrophobicContact CD1-CB 4.25Å; L2068-M2074 HydrophobicContact CB-CG 4.43Å
2069R44.6Very low55Low182 Ų18273.5 Ų73.569%0.68739%0.385SS*.SBendtrans-75.9-14-170.8-66.8-176.5-176-173.41.4114.4E2648R2069-E2648 IonicContact CZ-OE1 2.69Å; R2069-E2648 IonicContact NH1-OE1 3.82Å; R2069-E2648 PolarHBondContact NH1-OE1 3.48Å; R2069-E2648 IonicContact NH2-OE1 2.88Å; R2069-E2648 PolarHBondContact NH2-OE1 2.99Å
2070S44.9Very low54.4Low43 Ų4375.3 Ų75.330%0.30139%0.392SS..SBendtrans-116.9135.2-172.680.80000112L2068 N2072 E2073 M2074L2068-S2070 VanDerWaalsContact C-N 3.31Å; L2068-S2070 PolarHBondContact O-N 3.23Å; S2070-N2072 PolarHBondContact O-N 3.14Å; S2070-E2073 PolarHBondContact O-N 3.49Å; S2070-E2073 WeakPolarHBondContact OG-CB 3.28Å; S2070-E2073 VanDerWaalsContact OG-CG 3.26Å; S2070-E2073 WeakPolarHBondContact OG-CG 3.35Å; S2070-E2073 PolarHBondContact OG-OE2 3.4Å; S2070-M2074 PolarHBondContact O-N 3.13Å
2071V39.3Very low53.6Low116 Ų11675.1 Ų75.170%0.70339%0.391SS*.Hα-helixtrans-59.7-28.5-177.7179.70000112.3M2074V2071-M2074 HydrophobicContact CG2-CE 4.32Å
2072N41.7Very low52.9Low147 Ų14776.3 Ų76.379%0.78640%0.401SS*.Hα-helixtrans-76.3-29.8-179.5-72.9-13.6000113.4S2070S2070-N2072 PolarHBondContact O-N 3.14Å
2073E43.5Very low52.6Low109 Ų10977.8 Ų77.851%0.50941%0.409SS..Hα-helixtrans-83-23.6177.4-69.3168.8156.200112.1L2068 S2070 A2075 P2077L2068-E2073 HydrophobicContact CB-CB 4.31Å; L2068-E2073 HydrophobicContact CD1-CB 4.25Å; S2070-E2073 PolarHBondContact O-N 3.49Å; S2070-E2073 WeakPolarHBondContact OG-CB 3.28Å; S2070-E2073 VanDerWaalsContact OG-CG 3.26Å; S2070-E2073 WeakPolarHBondContact OG-CG 3.35Å; S2070-E2073 PolarHBondContact OG-OE2 3.4Å; E2073-A2075 VanDerWaalsContact C-N 3.29Å; E2073-A2075 PolarHBondContact O-N 3.26Å; E2073-P2077 WeakPolarHBondContact O-CD 3.33Å
2074M45.4Very low52.6Low61 Ų6179.6 Ų79.630%0.342%0.415SS..Hα-helixtrans-67.3-29.2172-70.2-157.3-84.800112.9A2065 L2068 S2070 V2071 Y2076 P2077 L2078A2065-M2074 WeakPolarHBondContact O-CG 3.4Å; L2068-M2074 HydrophobicContact CB-CG 4.43Å; S2070-M2074 PolarHBondContact O-N 3.13Å; V2071-M2074 HydrophobicContact CG2-CE 4.32Å; M2074-Y2076 PolarHBondContact O-N 3.41Å; M2074-P2077 WeakPolarHBondContact O-CD 3.5Å; M2074-L2078 HydrophobicContact CB-CD1 4.37Å; M2074-L2078 WeakPolarHBondContact O-CB 3.06Å; M2074-L2078 WeakPolarHBondContact O-CD1 3.45Å; M2074-L2078 WeakPolarHBondContact O-CG 3.24Å; M2074-L2078 PolarHBondContact O-N 3.03Å
2075A47.4Very low52.7Low51 Ų5177 Ų7742%0.42140%0.404SS..Hα-helixtrans-64.1-41.2-174.500000112.8E2073 L2078 L2079E2073-A2075 VanDerWaalsContact C-N 3.29Å; E2073-A2075 PolarHBondContact O-N 3.26Å; A2075-L2078 PolarHBondContact O-N 3.43Å; A2075-L2079 VanDerWaalsContact O-CB 3.25Å; A2075-L2079 WeakPolarHBondContact O-CB 3.35Å; A2075-L2079 PolarHBondContact O-N 2.88Å
2076Y51.1Low52.8Low168 Ų16881.7 Ų81.766%0.65943%0.429SS*.Hα-helixtrans-62.5-53.4-175.3-173.9-97.6000114M2074 L2078 L2079 Q2080M2074-Y2076 PolarHBondContact O-N 3.41Å; Y2076-L2078 PolarHBondContact O-N 3.02Å; Y2076-L2079 PolarHBondContact O-N 3.17Å; Y2076-Q2080 WeakPolarHBondContact O-CB 3.04Å; Y2076-Q2080 PolarHBondContact O-N 2.81Å
2077P52.1Low53Low11 Ų1182.5 Ų82.57%0.07144%0.435CS..Hα-helixtrans-68.5-30.9176.924.4-32.1000113.5Q2061 A2065 E2073 M2074 A2081Q2061-P2077 HydrophobicContact CB-CB 4.45Å; A2065-P2077 HydrophobicContact CB-CB 4.49Å; A2065-P2077 HydrophobicContact CB-CG 3.87Å; E2073-P2077 WeakPolarHBondContact O-CD 3.33Å; M2074-P2077 WeakPolarHBondContact O-CD 3.5Å; P2077-A2081 WeakPolarHBondContact O-CB 3.48Å; P2077-A2081 PolarHBondContact O-N 2.77Å
2078L50.4Low53.5Low74 Ų7480 Ų8039%0.38741%0.407SS..Hα-helixtrans-66.7-43.1173-74.7169000111.5M2062 A2065 M2074 A2075 Y2076 Q2080 A2081 T2082M2062-L2078 HydrophobicContact CG-CD2 4.07Å; A2065-L2078 HydrophobicContact CB-CD1 4.46Å; A2065-L2078 HydrophobicContact CB-CD2 4.42Å; A2065-L2078 HydrophobicContact CB-CG 4.01Å; M2074-L2078 HydrophobicContact CB-CD1 4.37Å; M2074-L2078 WeakPolarHBondContact O-CB 3.06Å; M2074-L2078 WeakPolarHBondContact O-CD1 3.45Å; M2074-L2078 WeakPolarHBondContact O-CG 3.24Å; M2074-L2078 PolarHBondContact O-N 3.03Å; A2075-L2078 PolarHBondContact O-N 3.43Å; Y2076-L2078 PolarHBondContact O-N 3.02Å; L2078-Q2080 VanDerWaalsContact C-N 3.34Å; L2078-Q2080 PolarHBondContact O-N 2.93Å; L2078-A2081 WeakPolarHBondContact O-CB 3.38Å; L2078-A2081 PolarHBondContact O-N 3.42Å; L2078-T2082 PolarHBondContact O-N 3.38Å; L2078-T2082 VanDerWaalsContact O-N 3.09Å; L2078-T2082 PolarHBondContact O-OG1 2.87Å
2079L54.9Low54.1Low108 Ų10883.2 Ų83.257%0.56542%0.42SS*.Hα-helixtrans-64.1-41177.2-149.7113.4000111A2075 Y2076 T2082 L2083A2075-L2079 VanDerWaalsContact O-CB 3.25Å; A2075-L2079 WeakPolarHBondContact O-CB 3.35Å; A2075-L2079 PolarHBondContact O-N 2.88Å; Y2076-L2079 PolarHBondContact O-N 3.17Å; L2079-T2082 WeakPolarHBondContact CA-OG1 3.45Å; L2079-T2082 PolarHBondContact O-N 3.14Å; L2079-T2082 PolarHBondContact O-OG1 3.45Å; L2079-L2083 HydrophobicContact CD2-CD1 3.84Å; L2079-L2083 WeakPolarHBondContact O-CB 3.46Å; L2079-L2083 WeakPolarHBondContact O-CG 3.47Å; L2079-L2083 PolarHBondContact O-N 3.25Å
2080Q60.9Low55.1Low75 Ų7577 Ų7735%0.3540%0.399SS..Hα-helixtrans-66-34.8176.8-158.2167.911.800112.5Y2076 L2078 M2084Y2076-Q2080 WeakPolarHBondContact O-CB 3.04Å; Y2076-Q2080 PolarHBondContact O-N 2.81Å; L2078-Q2080 VanDerWaalsContact C-N 3.34Å; L2078-Q2080 PolarHBondContact O-N 2.93Å; Q2080-M2084 WeakPolarHBondContact O-CG 3.29Å; Q2080-M2084 PolarHBondContact O-N 3.12Å
2081A60Low55.9Low1 Ų182.7 Ų82.71%0.00843%0.426CS..Hα-helixtrans-66.6-42172.400000112.2A2058 Q2061 M2062 P2077 L2078 I2085A2058-A2081 HydrophobicContact CB-CB 4.28Å; Q2061-A2081 HydrophobicContact CB-CB 4.09Å; M2062-A2081 HydrophobicContact CG-CB 4.43Å; P2077-A2081 WeakPolarHBondContact O-CB 3.48Å; P2077-A2081 PolarHBondContact O-N 2.77Å; L2078-A2081 WeakPolarHBondContact O-CB 3.38Å; L2078-A2081 PolarHBondContact O-N 3.42Å; A2081-I2085 WeakPolarHBondContact O-CG1 3.35Å; A2081-I2085 PolarHBondContact O-N 3.46Å
2082T56.8Low56.9Low53 Ų5384.5 Ų84.533%0.32543%0.425SS..Hα-helixtrans-69.4-37.5174.727.70000113.3L2078 L2079 I2085 N2086L2078-T2082 PolarHBondContact O-N 3.38Å; L2078-T2082 VanDerWaalsContact O-N 3.09Å; L2078-T2082 PolarHBondContact O-OG1 2.87Å; L2079-T2082 WeakPolarHBondContact CA-OG1 3.45Å; L2079-T2082 PolarHBondContact O-N 3.14Å; L2079-T2082 PolarHBondContact O-OG1 3.45Å; T2082-I2085 PolarHBondContact O-N 3.5Å; T2082-N2086 WeakPolarHBondContact O-CB 3.26Å; T2082-N2086 PolarHBondContact O-N 2.87Å; T2082-N2086 PolarHBondContact O-ND2 3.35Å
2083L60.5Low58Low77 Ų7778.4 Ų78.440%0.40339%0.392SS..Hα-helixtrans-64.1-45.1175.8-78.8167.1000111.2L2079 I2085 N2086 E2087L2079-L2083 HydrophobicContact CD2-CD1 3.84Å; L2079-L2083 WeakPolarHBondContact O-CB 3.46Å; L2079-L2083 WeakPolarHBondContact O-CG 3.47Å; L2079-L2083 PolarHBondContact O-N 3.25Å; L2083-I2085 VanDerWaalsContact C-N 3.29Å; L2083-I2085 PolarHBondContact O-N 3.5Å; L2083-N2086 PolarHBondContact O-N 3.23Å; L2083-N2086 VanDerWaalsContact O-N 3.16Å; L2083-E2087 WeakPolarHBondContact O-CB 3.48Å; L2083-E2087 WeakPolarHBondContact O-CG 3.5Å; L2083-E2087 PolarHBondContact O-N 3.24Å
2084M65.6Low59.3Low55 Ų5575.7 Ų75.727%0.27138%0.383SS..Hα-helixtrans-62.8-31.9177.4-77.1-159.9-68.500113.9C2057 Q2061 Q2080C2057-M2084 HydrophobicContact CB-CE 3.96Å; C2057-M2084 HydrophobicContact CB-SD 4.46Å; Q2061-M2084 HydrophobicContact CG-CE 3.96Å; Q2080-M2084 WeakPolarHBondContact O-CG 3.29Å; Q2080-M2084 PolarHBondContact O-N 3.12Å
2085I66.5Low60.5Low8 Ų876.7 Ų76.74%0.04140%0.402CS..Hα-helixtrans-75.3-37.5175.6-65.7170.3000110.6A2058 A2081 T2082 L2083 H2090A2058-I2085 HydrophobicContact CB-CD1 3.83Å; A2058-I2085 HydrophobicContact CB-CG1 4Å; A2081-I2085 WeakPolarHBondContact O-CG1 3.35Å; A2081-I2085 PolarHBondContact O-N 3.46Å; T2082-I2085 PolarHBondContact O-N 3.5Å; L2083-I2085 VanDerWaalsContact C-N 3.29Å; L2083-I2085 PolarHBondContact O-N 3.5Å; I2085-H2090 PolarHBondContact O-CE1 3.09Å
2086N64.3Low61.4Low103 Ų10381.1 Ų81.155%0.55141%0.414SS*.Hα-helixtrans-79-26.5-178-71.4-11.9000113.7T2082 L2083 A2088T2082-N2086 WeakPolarHBondContact O-CB 3.26Å; T2082-N2086 PolarHBondContact O-N 2.87Å; T2082-N2086 PolarHBondContact O-ND2 3.35Å; L2083-N2086 PolarHBondContact O-N 3.23Å; L2083-N2086 VanDerWaalsContact O-N 3.16Å; N2086-A2088 VanDerWaalsContact C-N 3.34Å
2087E60.4Low62.1Low149 Ų14973.4 Ų73.470%0.69638%0.384SS*.THydrogen-bonded Turntrans-85.7-4.1177.6-71.2178.9175.400113.2L2083L2083-E2087 WeakPolarHBondContact O-CB 3.48Å; L2083-E2087 WeakPolarHBondContact O-CG 3.5Å; L2083-E2087 PolarHBondContact O-N 3.24Å
2088A61.7Low62.9Low15 Ų1574 Ų7412%0.12439%0.387CS..SBendtrans-75.2129.2179.200000111.6I2054 N2086 H2090 I2093I2054-A2088 HydrophobicContact CD1-CB 3.92Å; N2086-A2088 VanDerWaalsContact C-N 3.34Å; A2088-H2090 VanDerWaalsContact C-N 3.33Å; A2088-H2090 PolarHBondContact O-CD2 3.06Å; A2088-H2090 VanDerWaalsContact O-CD2 3.28Å; A2088-H2090 PolarHBondContact O-N 2.88Å; A2088-I2093 HydrophobicContact CB-CD1 4.46Å
2089E64.1Low63.8Low142 Ų14273.3 Ų73.366%0.66439%0.391SS*.  trans-68.489.5173.1-70.2-174.3172.200110.6D2091 F2092E2089-D2091 PolarHBondContact O-N 3.28Å; E2089-F2092 HydrophobicContact CB-CD2 4.15Å; E2089-F2092 PolarHBondContact O-N 3.3Å; E2089-F2092 WeakPolarHBondContact OE2-CD2 3.37Å; E2089-F2092 WeakPolarHBondContact OE2-CE2 3.48Å
2090H65.8Low64.2Low52 Ų5272 Ų7224%0.24138%0.382CS..G310 helixtrans-56.4-23.1-175.6-70.3-62.7000114.5I2085 A2088 F2092 I2093 N2098I2085-H2090 PolarHBondContact O-CE1 3.09Å; A2088-H2090 VanDerWaalsContact C-N 3.33Å; A2088-H2090 PolarHBondContact O-CD2 3.06Å; A2088-H2090 VanDerWaalsContact O-CD2 3.28Å; A2088-H2090 PolarHBondContact O-N 2.88Å; H2090-F2092 VanDerWaalsContact C-N 3.33Å; H2090-F2092 PolarHBondContact O-N 3.36Å; H2090-I2093 PolarHBondContact O-N 3.01Å; H2090-N2098 WeakPolarHBondContact CB-ND2 3.49Å; H2090-N2098 PolarHBondContact ND1-OD1 2.84Å
2091D61.6Low64.5Low161 Ų16168.5 Ų68.586%0.86137%0.366SS*.G310 helixtrans-70.3-25.4-178.1-67.9-22.3000113.4E2089E2089-D2091 PolarHBondContact O-N 3.28Å
2092F60.8Low64.8Low155 Ų15573.3 Ų73.368%0.6839%0.387SS*.G310 helixtrans-91.4-6.4179.9-72.7-78.9000113.7P2047 E2089 H2090P2047-F2092 WeakPolarHBondContact CB-O 3.46Å; E2089-F2092 HydrophobicContact CB-CD2 4.15Å; E2089-F2092 PolarHBondContact O-N 3.3Å; E2089-F2092 WeakPolarHBondContact OE2-CD2 3.37Å; E2089-F2092 WeakPolarHBondContact OE2-CE2 3.48Å; H2090-F2092 VanDerWaalsContact C-N 3.33Å; H2090-F2092 PolarHBondContact O-N 3.36Å
2093I65.3Low65.1Low18 Ų1873.3 Ų73.39%0.09239%0.389CS..SBendtrans-100.6130.9-177.1-57.5174.8000109.2I2054 A2088 H2090 A2095 N2098 L2101I2054-I2093 HydrophobicContact CD1-CD1 3.97Å; A2088-I2093 HydrophobicContact CB-CD1 4.46Å; H2090-I2093 PolarHBondContact O-N 3.01Å; I2093-A2095 PolarHBondContact O-N 3.48Å; I2093-N2098 HydrophobicContact CG2-CB 4.29Å; I2093-L2101 HydrophobicContact CD1-CD1 4.25Å
2094P70.1Confident65Low52 Ų5270.6 Ų70.634%0.33838%0.378SS..  trans-57.7138.5177.419.4-29.3000111.7K2048 E2096 S2097 N2098K2048-P2094 HydrophobicContact CB-CG 4.21Å; P2094-E2096 PolarHBondContact O-N 3.07Å; P2094-S2097 WeakPolarHBondContact O-CB 3.48Å; P2094-S2097 PolarHBondContact O-N 3.24Å; P2094-N2098 PolarHBondContact O-N 3.41Å
2095A71Confident64.4Low83 Ų8370.6 Ų70.669%0.68638%0.377SS*.Hα-helixtrans-52.6-34.6-17100000114.4I2093 N2098 A2099I2093-A2095 PolarHBondContact O-N 3.48Å; A2095-N2098 PolarHBondContact O-N 3.47Å; A2095-A2099 VanDerWaalsContact O-CB 3.32Å; A2095-A2099 WeakPolarHBondContact O-CB 3.44Å; A2095-A2099 PolarHBondContact O-N 3.06Å
2096E64.7Low63.4Low144 Ų14471.7 Ų71.767%0.67339%0.39SS*.Hα-helixtrans-63.2-47.3174.4-67.6-178.9166.300112.4P2094 N2098 A2099 E2100P2094-E2096 PolarHBondContact O-N 3.07Å; E2096-N2098 VanDerWaalsContact C-N 3.28Å; E2096-N2098 PolarHBondContact O-N 3.01Å; E2096-A2099 PolarHBondContact O-N 3.24Å; E2096-E2100 WeakPolarHBondContact O-CG 3.48Å; E2096-E2100 PolarHBondContact O-N 3.38Å
2097S65.9Low62.7Low5 Ų571 Ų714%0.03539%0.39CS..Hα-helixtrans-67.2-32.7177.6-65.70000111.7P2094 E2100 L2101P2094-S2097 WeakPolarHBondContact O-CB 3.48Å; P2094-S2097 PolarHBondContact O-N 3.24Å; S2097-E2100 PolarHBondContact O-N 2.8Å; S2097-L2101 WeakPolarHBondContact O-CG 3.2Å; S2097-L2101 PolarHBondContact O-N 2.86Å; S2097-L2101 VanDerWaalsContact O-N 3.11Å
2098N69.6Low61.8Low25 Ų2569.6 Ų69.613%0.13439%0.385CS..Hα-helixtrans-70.6-42.3176.1-149.815000111.4H2090 I2093 P2094 A2095 E2096 E2100 L2101 F2102H2090-N2098 WeakPolarHBondContact CB-ND2 3.49Å; H2090-N2098 PolarHBondContact ND1-OD1 2.84Å; I2093-N2098 HydrophobicContact CG2-CB 4.29Å; P2094-N2098 PolarHBondContact O-N 3.41Å; A2095-N2098 PolarHBondContact O-N 3.47Å; E2096-N2098 VanDerWaalsContact C-N 3.28Å; E2096-N2098 PolarHBondContact O-N 3.01Å; N2098-E2100 VanDerWaalsContact C-N 3.27Å; N2098-E2100 PolarHBondContact O-N 2.71Å; N2098-L2101 WeakPolarHBondContact O-CB 3.35Å; N2098-L2101 PolarHBondContact O-N 3.27Å; N2098-F2102 VanDerWaalsContact O-CD2 3.26Å; N2098-F2102 WeakPolarHBondContact O-CD2 3.33Å; N2098-F2102 PolarHBondContact O-N 3.42Å; N2098-F2102 VanDerWaalsContact O-N 3.12Å
2099A68.4Low60.6Low58 Ų5878.5 Ų78.548%0.47942%0.417SS..Hα-helixtrans-61.6-35.1170.900000112A2095 E2096 F2102 S2103A2095-A2099 VanDerWaalsContact O-CB 3.32Å; A2095-A2099 WeakPolarHBondContact O-CB 3.44Å; A2095-A2099 PolarHBondContact O-N 3.06Å; E2096-A2099 PolarHBondContact O-N 3.24Å; A2099-F2102 PolarHBondContact O-N 3.18Å; A2099-S2103 VanDerWaalsContact O-CB 3.27Å; A2099-S2103 WeakPolarHBondContact O-CB 3.47Å; A2099-S2103 PolarHBondContact O-N 3.35Å
2100E64.7Low59.3Low81 Ų8175.5 Ų75.538%0.37941%0.411SS..Hα-helixtrans-66-36.5173.6-77.2-170.4-163.900113.3K2055 E2096 S2097 N2098 S2103 A2104K2055-E2100 IonicContact NZ-OE2 3.04Å; K2055-E2100 PolarHBondContact NZ-OE2 2.95Å; E2096-E2100 WeakPolarHBondContact O-CG 3.48Å; E2096-E2100 PolarHBondContact O-N 3.38Å; S2097-E2100 PolarHBondContact O-N 2.8Å; N2098-E2100 VanDerWaalsContact C-N 3.27Å; N2098-E2100 PolarHBondContact O-N 2.71Å; E2100-S2103 WeakPolarHBondContact CA-OG 3.08Å; E2100-S2103 PolarHBondContact O-N 3.37Å; E2100-S2103 PolarHBondContact O-OG 3Å; E2100-A2104 PolarHBondContact O-N 3.28Å
2101L65.9Low58.1Low1 Ų178.9 Ų78.91%0.00543%0.428CS..Hα-helixtrans-63.2-47.1173.7-74163.2000111I2054 K2055 I2093 S2097 N2098 S2103 A2104 Q2105I2054-L2101 HydrophobicContact CB-CD2 4.36Å; I2054-L2101 HydrophobicContact CG2-CD2 3.99Å; K2055-L2101 HydrophobicContact CB-CD2 3.75Å; K2055-L2101 HydrophobicContact CG-CD2 4.48Å; I2093-L2101 HydrophobicContact CD1-CD1 4.25Å; S2097-L2101 WeakPolarHBondContact O-CG 3.2Å; S2097-L2101 PolarHBondContact O-N 2.86Å; S2097-L2101 VanDerWaalsContact O-N 3.11Å; N2098-L2101 WeakPolarHBondContact O-CB 3.35Å; N2098-L2101 PolarHBondContact O-N 3.27Å; L2101-S2103 VanDerWaalsContact C-N 3.31Å; L2101-S2103 PolarHBondContact O-N 3.31Å; L2101-A2104 WeakPolarHBondContact O-CB 3.4Å; L2101-A2104 PolarHBondContact O-N 3.47Å; L2101-Q2105 PolarHBondContact O-N 3.5Å
2102F67.7Low56.7Low103 Ų10377.2 Ų77.245%0.45242%0.419SS..Hα-helixtrans-66.4-31172.1-73.7-68.7000112.7N2098 A2099 A2104 Q2105 G2106N2098-F2102 VanDerWaalsContact O-CD2 3.26Å; N2098-F2102 WeakPolarHBondContact O-CD2 3.33Å; N2098-F2102 PolarHBondContact O-N 3.42Å; N2098-F2102 VanDerWaalsContact O-N 3.12Å; A2099-F2102 PolarHBondContact O-N 3.18Å; F2102-A2104 VanDerWaalsContact C-N 3.3Å; F2102-A2104 PolarHBondContact O-N 2.97Å; F2102-Q2105 CarbonylContact O-C 3.56Å; F2102-Q2105 WeakPolarHBondContact O-CA 3.19Å; F2102-Q2105 VanDerWaalsContact O-CB 3.26Å; F2102-Q2105 WeakPolarHBondContact O-CB 3.36Å; F2102-Q2105 PolarHBondContact O-N 3.44Å; F2102-G2106 PolarHBondContact O-N 2.94Å
2103S63Low55.9Low53 Ų5380.4 Ų80.437%0.37143%0.427SS..Hα-helixtrans-67.8-31174.385.30000111.8A2099 E2100 L2101 Q2105 G2106 V2107A2099-S2103 VanDerWaalsContact O-CB 3.27Å; A2099-S2103 WeakPolarHBondContact O-CB 3.47Å; A2099-S2103 PolarHBondContact O-N 3.35Å; E2100-S2103 WeakPolarHBondContact CA-OG 3.08Å; E2100-S2103 PolarHBondContact O-N 3.37Å; E2100-S2103 PolarHBondContact O-OG 3Å; L2101-S2103 VanDerWaalsContact C-N 3.31Å; L2101-S2103 PolarHBondContact O-N 3.31Å; S2103-Q2105 VanDerWaalsContact C-N 3.28Å; S2103-Q2105 PolarHBondContact O-N 3.34Å; S2103-G2106 CarbonylContact O-C 3.4Å; S2103-G2106 WeakPolarHBondContact O-CA 3.47Å; S2103-G2106 PolarHBondContact O-N 2.97Å; S2103-V2107 WeakPolarHBondContact O-CB 3.44Å; S2103-V2107 VanDerWaalsContact O-CG2 3.24Å; S2103-V2107 WeakPolarHBondContact O-CG2 3.22Å; S2103-V2107 PolarHBondContact O-N 3.25Å
2104A57.5Low55.4Low20 Ų2081.6 Ų81.617%0.16543%0.431CS..Hα-helixtrans-66-35172.900000111E2100 L2101 F2102E2100-A2104 PolarHBondContact O-N 3.28Å; L2101-A2104 WeakPolarHBondContact O-CB 3.4Å; L2101-A2104 PolarHBondContact O-N 3.47Å; F2102-A2104 VanDerWaalsContact C-N 3.3Å; F2102-A2104 PolarHBondContact O-N 2.97Å
2105Q52.6Low54.7Low54 Ų5480.2 Ų80.225%0.25242%0.421SS..Hα-helixtrans-64.2-40.3165.7-89.5175.5-16.500112.2L2101 F2102 S2103 M2108L2101-Q2105 PolarHBondContact O-N 3.5Å; F2102-Q2105 CarbonylContact O-C 3.56Å; F2102-Q2105 WeakPolarHBondContact O-CA 3.19Å; F2102-Q2105 VanDerWaalsContact O-CB 3.26Å; F2102-Q2105 WeakPolarHBondContact O-CB 3.36Å; F2102-Q2105 PolarHBondContact O-N 3.44Å; S2103-Q2105 VanDerWaalsContact C-N 3.28Å; S2103-Q2105 PolarHBondContact O-N 3.34Å; Q2105-M2108 HydrophobicContact CG-CE 4.44Å; Q2105-M2108 WeakPolarHBondContact O-CB 3.41Å; Q2105-M2108 WeakPolarHBondContact O-CE 3.24Å
2106G45.9Very low54.2Low31 Ų3177.2 Ų77.232%0.3240%0.395SS..Hα-helixtrans-78.3-21.5-179.900000116.3F2102 S2103 M2108 Y2109 S2110F2102-G2106 PolarHBondContact O-N 2.94Å; S2103-G2106 CarbonylContact O-C 3.4Å; S2103-G2106 WeakPolarHBondContact O-CA 3.47Å; S2103-G2106 PolarHBondContact O-N 2.97Å; G2106-M2108 PolarHBondContact O-N 3.36Å; G2106-Y2109 WeakPolarHBondContact O-CA 3.26Å; G2106-Y2109 WeakPolarHBondContact O-CB 3.46Å; G2106-Y2109 PolarHBondContact O-N 2.99Å; G2106-S2110 PolarHBondContact O-N 3.21Å; G2106-S2110 VanDerWaalsContact O-N 3.16Å
2107V49.8Very low54.2Low89 Ų8971.4 Ų71.454%0.53937%0.367SS..Hα-helixtrans-65.6-22.4173.9165.10000110.8S2103 Y2109S2103-V2107 WeakPolarHBondContact O-CB 3.44Å; S2103-V2107 VanDerWaalsContact O-CG2 3.24Å; S2103-V2107 WeakPolarHBondContact O-CG2 3.22Å; S2103-V2107 PolarHBondContact O-N 3.25Å; V2107-Y2109 PolarHBondContact O-N 2.88Å
2108M42.4Very low54.3Low120 Ų12072.7 Ų72.759%0.59137%0.374SS*.THydrogen-bonded Turntrans-63-25.9167-61.7-167-77.300112.9M2062 Q2105 G2106M2062-M2108 HydrophobicContact CE-SD 4.43Å; Q2105-M2108 HydrophobicContact CG-CE 4.44Å; Q2105-M2108 WeakPolarHBondContact O-CB 3.41Å; Q2105-M2108 WeakPolarHBondContact O-CE 3.24Å; G2106-M2108 PolarHBondContact O-N 3.36Å
2109Y35.5Very low54.3Low202 Ų20271.5 Ų71.579%0.79237%0.368SS*.THydrogen-bonded Turntrans-99.9-18.8179.8-77.5-75.7000114.4G2106 V2107 M2111G2106-Y2109 WeakPolarHBondContact O-CA 3.26Å; G2106-Y2109 WeakPolarHBondContact O-CB 3.46Å; G2106-Y2109 PolarHBondContact O-N 2.99Å; V2107-Y2109 PolarHBondContact O-N 2.88Å; Y2109-M2111 PolarHBondContact O-N 3.47Å
2110S37.6Very low54.2Low78 Ų7870 Ų7055%0.54535%0.351SS..THydrogen-bonded Turntrans-92.613.9-166.872.40000116.6G2106 L2112G2106-S2110 PolarHBondContact O-N 3.21Å; G2106-S2110 VanDerWaalsContact O-N 3.16Å; S2110-L2112 PolarHBondContact O-N 3.43Å
2111M39.7Very low54.2Low123 Ų12368.9 Ų68.961%0.60635%0.347SS*.THydrogen-bonded Turntrans-66.3-1.1172.7-69.7-147.1-150.700114.5Y2109Y2109-M2111 PolarHBondContact O-N 3.47Å
2112L32.5Very low54.4Low127 Ų12768.8 Ų68.867%0.66535%0.347SS*.  trans-102.391180-65.4169.5000112S2110 L2608S2110-L2112 PolarHBondContact O-N 3.43Å; L2112-L2608 HydrophobicContact CD2-CD1 3.65Å
2113R43.1Very low54.4Low222 Ų22265.4 Ų65.484%0.83834%0.335SS*.  trans-135.587.5163-123.2-172.4-174.4-178.63.7109
2114Q54.8Low54.3Low42 Ų4265.8 Ų65.820%0.19634%0.342CS..  trans-142.4120.4177.8-62.4-157.2-35.500111.9Q2117 W2605 F2609Q2114-Q2117 VanDerWaalsContact OE1-CD 3.31Å; Q2114-W2605 VanDerWaalsContact NE2-CZ2 3.27Å; Q2114-F2609 VanDerWaalsContact OE1-CZ 3.32Å
2115L57.2Low54.4Low24 Ų2469.9 Ų69.913%0.12635%0.353CS..SBendtrans-72.5-40.4-173.4-124.1133.1000114.4Q2117 L2118 F2119 V2137 V2145 P2328L2115-Q2117 PolarHBondContact O-N 3.23Å; L2115-L2118 WeakPolarHBondContact O-CB 3.37Å; L2115-L2118 PolarHBondContact O-N 3.37Å; L2115-L2118 VanDerWaalsContact O-N 3.12Å; L2115-F2119 HydrophobicContact CD2-CE2 4.3Å; L2115-V2137 HydrophobicContact CD1-CG1 3.72Å; L2115-V2137 HydrophobicContact CD2-CG1 3.95Å; L2115-V2137 HydrophobicContact CG-CG1 4.06Å; L2115-V2145 HydrophobicContact CD2-CG2 4.34Å; L2115-P2328 HydrophobicContact CD1-CG 3.89Å
2116P59.5Low54.9Low19 Ų1973.9 Ų73.912%0.12337%0.366CS..Hα-helixtrans-62.6-38.9-180-25.836.1000113.4L2118 F2119 E2120P2116-L2118 PolarHBondContact O-N 2.88Å; P2116-F2119 PolarHBondContact O-N 2.84Å; P2116-E2120 PolarHBondContact O-N 3.43Å; P2116-E2120 VanDerWaalsContact O-N 3.09Å
2117Q65.6Low55.9Low22 Ų2277.9 Ų77.910%0.10337%0.374CS..Hα-helixtrans-65.7-23.2176.3-70.587-7.300112.7Q2114 L2115 E2120 L2121Q2114-Q2117 VanDerWaalsContact OE1-CD 3.31Å; L2115-Q2117 PolarHBondContact O-N 3.23Å; Q2117-E2120 PolarHBondContact O-N 3.17Å; Q2117-L2121 VanDerWaalsContact O-CB 3.28Å; Q2117-L2121 WeakPolarHBondContact O-CB 3.36Å; Q2117-L2121 WeakPolarHBondContact O-CD1 3.46Å; Q2117-L2121 WeakPolarHBondContact O-CG 3.44Å; Q2117-L2121 PolarHBondContact O-N 2.64Å
2118L66.9Low56.8Low33 Ų3377.4 Ų77.417%0.17337%0.365CS..Hα-helixtrans-67.9-41.9174-62175.1000111L2115 P2116 E2120 L2122 V2130 L2133 I2134L2115-L2118 WeakPolarHBondContact O-CB 3.37Å; L2115-L2118 PolarHBondContact O-N 3.37Å; L2115-L2118 VanDerWaalsContact O-N 3.12Å; P2116-L2118 PolarHBondContact O-N 2.88Å; L2118-E2120 VanDerWaalsContact C-N 3.32Å; L2118-L2122 PolarHBondContact O-N 3.09Å; L2118-L2122 VanDerWaalsContact O-N 3.16Å; L2118-V2130 HydrophobicContact CB-CG1 3.63Å; L2118-V2130 HydrophobicContact CD2-CG1 3.77Å; L2118-V2130 HydrophobicContact CG-CG1 4.24Å; L2118-V2130 WeakPolarHBondContact O-CG1 3.47Å; L2118-L2133 HydrophobicContact CD1-CD2 4.09Å; L2118-L2133 HydrophobicContact CD2-CD2 4.07Å; L2118-I2134 HydrophobicContact CB-CD1 4.13Å; L2118-I2134 HydrophobicContact CB-CG1 3.98Å
2119F70.9Confident58Low0 Ų078.4 Ų78.40%037%0.371CS..Hα-helixtrans-66.6-35.7173.8-80.6-81.1000112.1L2115 P2116 L2122 C2123 I2134 V2145 H2148 L2149 Y2152 L2168L2115-F2119 HydrophobicContact CD2-CE2 4.3Å; P2116-F2119 PolarHBondContact O-N 2.84Å; F2119-L2122 WeakPolarHBondContact O-CB 3.34Å; F2119-L2122 PolarHBondContact O-N 3.47Å; F2119-C2123 PolarHBondContact O-N 3.43Å; F2119-C2123 PolarHBondContact O-SG 3.4Å; F2119-I2134 HydrophobicContact CD1-CD1 4.15Å; F2119-I2134 HydrophobicContact CD2-CD1 4.4Å; F2119-I2134 HydrophobicContact CE1-CD1 4.31Å; F2119-I2134 HydrophobicContact CE1-CG2 4.21Å; F2119-I2134 HydrophobicContact CE2-CG2 4.14Å; F2119-I2134 HydrophobicContact CG-CD1 4.22Å; F2119-I2134 HydrophobicContact CZ-CG2 3.74Å; F2119-V2145 HydrophobicContact CZ-CG1 3.92Å; F2119-H2148 HydrophobicContact CD2-CB 3.89Å; F2119-H2148 HydrophobicContact CE2-CB 3.63Å; F2119-H2148 HydrophobicContact CZ-CB 4.08Å; F2119-L2149 HydrophobicContact CE1-CB 4.44Å; F2119-L2149 HydrophobicContact CE1-CG 4.16Å; F2119-Y2152 HydrophobicContact CB-CD2 3.65Å; F2119-Y2152 HydrophobicContact CB-CE2 3.6Å; F2119-Y2152 HydrophobicContact CB-CG 4.25Å; F2119-Y2152 HydrophobicContact CD1-CD2 4.22Å; F2119-Y2152 AromaticContact CG-CD2 3.99Å; F2119-Y2152 HydrophobicContact CG-CD2 3.99Å; F2119-Y2152 HydrophobicContact CG-CE2 4.24Å; F2119-L2168 HydrophobicContact CD1-CD2 4.07Å; F2119-L2168 HydrophobicContact CE1-CD2 4.16Å
2120E64.6Low59.7Low27 Ų2769.7 Ų69.713%0.12634%0.339CS..Hα-helixtrans-73.2-38.4178.8-150.7174.3-161.100112.5P2116 Q2117 L2118 L2122 C2123 A2124 R2385 S2612P2116-E2120 PolarHBondContact O-N 3.43Å; P2116-E2120 VanDerWaalsContact O-N 3.09Å; Q2117-E2120 PolarHBondContact O-N 3.17Å; L2118-E2120 VanDerWaalsContact C-N 3.32Å; E2120-L2122 PolarHBondContact O-N 3.01Å; E2120-C2123 PolarHBondContact O-N 2.89Å; E2120-A2124 HydrophobicContact CG-CB 4.41Å; E2120-A2124 WeakPolarHBondContact O-CA 3.32Å; E2120-A2124 VanDerWaalsContact O-CB 3.31Å; E2120-A2124 WeakPolarHBondContact O-CB 3.35Å; E2120-A2124 PolarHBondContact O-N 3.22Å; E2120-R2385 IonicContact OE1-CZ 3.13Å; E2120-R2385 IonicContact OE1-NE 2.88Å; E2120-R2385 PolarHBondContact OE1-NE 2.99Å; E2120-R2385 IonicContact OE1-NH2 3.6Å; E2120-R2385 PolarHBondContact OE1-NH2 3.49Å; E2120-R2385 IonicContact OE2-NE 3.71Å; E2120-S2612 WeakPolarHBondContact OE1-CB 3.49Å; E2120-S2612 WeakPolarHBondContact OE2-CB 3.3Å
2121L65.9Low61.1Low56 Ų5666.9 Ų66.929%0.29332%0.32SS..Hα-helixtrans-60.8-32.6170.1-77.7167.3000111.7Q2117 R2125 R2126 F2127 V2130Q2117-L2121 VanDerWaalsContact O-CB 3.28Å; Q2117-L2121 WeakPolarHBondContact O-CB 3.36Å; Q2117-L2121 WeakPolarHBondContact O-CD1 3.46Å; Q2117-L2121 WeakPolarHBondContact O-CG 3.44Å; Q2117-L2121 PolarHBondContact O-N 2.64Å; L2121-R2125 HydrophobicContact CD2-CB 4.39Å; L2121-R2125 CarbonylContact O-C 3.4Å; L2121-R2125 PolarHBondContact O-N 3.39Å; L2121-R2126 PolarHBondContact O-N 3.47Å; L2121-F2127 PolarHBondContact O-N 2.96Å; L2121-V2130 HydrophobicContact CB-CG2 4.46Å
2122L70.1Confident62.5Low0 Ų066.8 Ų66.80%032%0.323CS..Hα-helixtrans-70.7-51.7173.5-159.6102.1000111.6L2118 F2119 E2120 R2126 V2130 A2131 A2167 L2168L2118-L2122 PolarHBondContact O-N 3.09Å; L2118-L2122 VanDerWaalsContact O-N 3.16Å; F2119-L2122 WeakPolarHBondContact O-CB 3.34Å; F2119-L2122 PolarHBondContact O-N 3.47Å; E2120-L2122 PolarHBondContact O-N 3.01Å; L2122-R2126 WeakPolarHBondContact O-CA 3.46Å; L2122-R2126 PolarHBondContact O-N 2.83Å; L2122-V2130 HydrophobicContact CD1-CB 4.46Å; L2122-A2131 HydrophobicContact CD1-CB 3.75Å; L2122-A2167 HydrophobicContact CD2-CB 4.13Å; L2122-L2168 HydrophobicContact CD2-CD2 3.92Å; L2122-L2168 HydrophobicContact CD2-CG 4.13Å
2123C67.7Low64.2Low32 Ų3265.5 Ų65.522%0.21632%0.316CS..Hα-helixtrans-80-44-172.1-58.90000113.5F2119 E2120 V2164F2119-C2123 PolarHBondContact O-N 3.43Å; F2119-C2123 PolarHBondContact O-SG 3.4Å; E2120-C2123 PolarHBondContact O-N 2.89Å; C2123-V2164 HydrophobicContact CB-CG1 4.21Å
2124A61.5Low65.5Low61 Ų6155 Ų5550%0.50428%0.276SS..THydrogen-bonded Turntrans-92.3-29.8-174.700000113.6E2120E2120-A2124 HydrophobicContact CG-CB 4.41Å; E2120-A2124 WeakPolarHBondContact O-CA 3.32Å; E2120-A2124 VanDerWaalsContact O-CB 3.31Å; E2120-A2124 WeakPolarHBondContact O-CB 3.35Å; E2120-A2124 PolarHBondContact O-N 3.22Å
2125R57.9Low66.2Low105 Ų10553.5 Ų53.540%0.39627%0.273SS..THydrogen-bonded Turntrans-113.20.8-178.3-74.2-165.8161.7164.20115.2L2121 F2127 Q2611 E2623L2121-R2125 HydrophobicContact CD2-CB 4.39Å; L2121-R2125 CarbonylContact O-C 3.4Å; L2121-R2125 PolarHBondContact O-N 3.39Å; R2125-F2127 HydrophobicContact CB-CD2 3.93Å; R2125-F2127 HydrophobicContact CB-CE2 4.48Å; R2125-F2127 PolarHBondContact O-N 3.44Å; R2125-Q2611 VanDerWaalsContact NH2-CD 3.35Å; R2125-E2623 IonicContact NH2-OE1 3.99Å
2126R64.1Low66.8Low139 Ų13958.4 Ų58.453%0.52530%0.295SS..  trans55.932176-54.4-179.9179.5168.5-2.1113.9L2121 L2122 F2128 D2161L2121-R2126 PolarHBondContact O-N 3.47Å; L2122-R2126 WeakPolarHBondContact O-CA 3.46Å; L2122-R2126 PolarHBondContact O-N 2.83Å; R2126-F2128 HydrophobicContact CB-CE2 4.08Å; R2126-F2128 HydrophobicContact CB-CZ 4.37Å; R2126-F2128 WeakPolarHBondContact O-CD2 3.36Å; R2126-F2128 WeakPolarHBondContact O-CE2 3.46Å; R2126-F2128 PolarHBondContact O-N 3.36Å; R2126-D2161 IonicContact CZ-OD2 3.87Å; R2126-D2161 IonicContact NE-OD2 3Å; R2126-D2161 PolarHBondContact NE-OD2 3.33Å; R2126-D2161 IonicContact NH2-OD1 2.92Å; R2126-D2161 IonicContact NH2-OD2 2.81Å; R2126-D2161 PolarHBondContact NH2-OD2 3.33Å
2127F66Low67.3Low115 Ų11559.1 Ų59.150%0.50430%0.299SS..  trans-81.680.7175.7-93.2-82.3000111.4L2121 R2125 I2129 V2130L2121-F2127 PolarHBondContact O-N 2.96Å; R2125-F2127 HydrophobicContact CB-CD2 3.93Å; R2125-F2127 HydrophobicContact CB-CE2 4.48Å; R2125-F2127 PolarHBondContact O-N 3.44Å; F2127-I2129 PolarHBondContact O-N 2.94Å; F2127-I2129 VanDerWaalsContact O-N 3.13Å; F2127-V2130 HydrophobicContact CB-CG2 4.02Å; F2127-V2130 WeakPolarHBondContact O-CB 3.37Å; F2127-V2130 WeakPolarHBondContact O-CG2 3.31Å; F2127-V2130 PolarHBondContact O-N 3.48Å; F2127-V2130 VanDerWaalsContact O-N 3.07Å
2128F69.4Low67.5Low78 Ų7858.1 Ų58.134%0.34229%0.294SS..THydrogen-bonded Turntrans-62-22.1-175-62.6-76.3000115.2R2126 V2130 A2131 E2163 A2167R2126-F2128 HydrophobicContact CB-CE2 4.08Å; R2126-F2128 HydrophobicContact CB-CZ 4.37Å; R2126-F2128 WeakPolarHBondContact O-CD2 3.36Å; R2126-F2128 WeakPolarHBondContact O-CE2 3.46Å; R2126-F2128 PolarHBondContact O-N 3.36Å; F2128-V2130 PolarHBondContact O-N 2.84Å; F2128-A2131 WeakPolarHBondContact O-CB 3.46Å; F2128-A2131 PolarHBondContact O-N 3.49Å; F2128-E2163 HydrophobicContact CE1-CB 4.16Å; F2128-E2163 HydrophobicContact CZ-CB 3.84Å; F2128-A2167 HydrophobicContact CD1-CB 4.05Å; F2128-A2167 HydrophobicContact CE1-CB 4.22Å
2129I68.3Low67.7Low141 Ų14160.3 Ų60.372%0.72330%0.303SS*.THydrogen-bonded Turntrans-58.1-31.6174.5-67.6170.1000111.3F2127 A2131 N2132F2127-I2129 PolarHBondContact O-N 2.94Å; F2127-I2129 VanDerWaalsContact O-N 3.13Å; I2129-A2131 PolarHBondContact O-N 3.05Å; I2129-N2132 PolarHBondContact O-N 3.47Å
2130V70Confident67.5Low20 Ų2065.9 Ų65.912%0.12133%0.329CS..Hα-helixtrans-65.5-23.3180-178.50000111.7L2118 L2121 L2122 F2127 F2128 N2132 L2133 I2134L2118-V2130 HydrophobicContact CB-CG1 3.63Å; L2118-V2130 HydrophobicContact CD2-CG1 3.77Å; L2118-V2130 HydrophobicContact CG-CG1 4.24Å; L2118-V2130 WeakPolarHBondContact O-CG1 3.47Å; L2121-V2130 HydrophobicContact CB-CG2 4.46Å; L2122-V2130 HydrophobicContact CD1-CB 4.46Å; F2127-V2130 HydrophobicContact CB-CG2 4.02Å; F2127-V2130 WeakPolarHBondContact O-CB 3.37Å; F2127-V2130 WeakPolarHBondContact O-CG2 3.31Å; F2127-V2130 PolarHBondContact O-N 3.48Å; F2127-V2130 VanDerWaalsContact O-N 3.07Å; F2128-V2130 PolarHBondContact O-N 2.84Å; V2130-N2132 VanDerWaalsContact C-N 3.28Å; V2130-N2132 PolarHBondContact O-N 3.37Å; V2130-L2133 WeakPolarHBondContact O-CB 3.43Å; V2130-L2133 PolarHBondContact O-N 2.86Å; V2130-L2133 VanDerWaalsContact O-N 3.07Å; V2130-I2134 HydrophobicContact CG1-CD1 3.99Å; V2130-I2134 HydrophobicContact CG1-CG1 4.11Å; V2130-I2134 WeakPolarHBondContact O-CG1 3.47Å; V2130-I2134 PolarHBondContact O-N 3.44Å
2131A68.1Low68Low18 Ų1866 Ų6615%0.14933%0.33CS..Hα-helixtrans-57.5-39.9176.100000112.5L2122 F2128 I2129 L2133 I2134 G2135 I2171L2122-A2131 HydrophobicContact CD1-CB 3.75Å; F2128-A2131 WeakPolarHBondContact O-CB 3.46Å; F2128-A2131 PolarHBondContact O-N 3.49Å; I2129-A2131 PolarHBondContact O-N 3.05Å; A2131-L2133 VanDerWaalsContact C-N 3.35Å; A2131-I2134 PolarHBondContact O-N 3.01Å; A2131-G2135 PolarHBondContact O-N 3.46Å; A2131-I2171 HydrophobicContact CB-CD1 4.25Å
2132N69.3Low68.5Low122 Ų12264 Ų6465%0.65232%0.32SS*.Hα-helixtrans-68.8-36.3177.9-70.8-14.5000111.5I2129 V2130 G2135 H2136I2129-N2132 PolarHBondContact O-N 3.47Å; V2130-N2132 VanDerWaalsContact C-N 3.28Å; V2130-N2132 PolarHBondContact O-N 3.37Å; N2132-G2135 PolarHBondContact O-N 2.95Å; N2132-H2136 PolarHBondContact O-N 3.33Å
2133L67.7Low69Low99 Ų9964.6 Ų64.652%0.51832%0.322SS..Hα-helixtrans-66.9-43.1176.8-151.387.1000111L2118 V2130 A2131 G2135 H2136 V2137L2118-L2133 HydrophobicContact CD1-CD2 4.09Å; L2118-L2133 HydrophobicContact CD2-CD2 4.07Å; V2130-L2133 WeakPolarHBondContact O-CB 3.43Å; V2130-L2133 PolarHBondContact O-N 2.86Å; V2130-L2133 VanDerWaalsContact O-N 3.07Å; A2131-L2133 VanDerWaalsContact C-N 3.35Å; L2133-G2135 VanDerWaalsContact C-N 3.28Å; L2133-G2135 PolarHBondContact O-N 3.3Å; L2133-H2136 PolarHBondContact O-N 2.93Å; L2133-V2137 VanDerWaalsContact O-CG2 3.31Å; L2133-V2137 WeakPolarHBondContact O-CG2 3.46Å; L2133-V2137 PolarHBondContact O-N 2.87Å
2134I70.7Confident69.4Low1 Ų163.2 Ų63.21%0.00531%0.313CS..Hα-helixtrans-62.1-39.4173-63.4168.9000110L2118 F2119 V2130 A2131 V2137 A2138 V2145 I2171L2118-I2134 HydrophobicContact CB-CD1 4.13Å; L2118-I2134 HydrophobicContact CB-CG1 3.98Å; F2119-I2134 HydrophobicContact CD1-CD1 4.15Å; F2119-I2134 HydrophobicContact CD2-CD1 4.4Å; F2119-I2134 HydrophobicContact CE1-CD1 4.31Å; F2119-I2134 HydrophobicContact CE1-CG2 4.21Å; F2119-I2134 HydrophobicContact CE2-CG2 4.14Å; F2119-I2134 HydrophobicContact CG-CD1 4.22Å; F2119-I2134 HydrophobicContact CZ-CG2 3.74Å; V2130-I2134 HydrophobicContact CG1-CD1 3.99Å; V2130-I2134 HydrophobicContact CG1-CG1 4.11Å; V2130-I2134 WeakPolarHBondContact O-CG1 3.47Å; V2130-I2134 PolarHBondContact O-N 3.44Å; A2131-I2134 PolarHBondContact O-N 3.01Å; I2134-V2137 PolarHBondContact O-N 3.02Å; I2134-A2138 WeakPolarHBondContact O-CB 3.33Å; I2134-A2138 PolarHBondContact O-N 3.17Å; I2134-V2145 HydrophobicContact CG2-CG1 3.95Å; I2134-V2145 HydrophobicContact CG2-CG2 4.49Å; I2134-I2171 HydrophobicContact CB-CD1 4.23Å; I2134-I2171 HydrophobicContact CD1-CD1 4.36Å; I2134-I2171 HydrophobicContact CG2-CD1 4.04Å; I2134-I2171 HydrophobicContact CG2-CG2 4.05Å
2135G69.1Low70.2Confident12 Ų1260.3 Ų60.312%0.12429%0.289CS..Hα-helixtrans-55.7-49.8173.400000113A2131 N2132 L2133 V2137 A2138 E2139A2131-G2135 PolarHBondContact O-N 3.46Å; N2132-G2135 PolarHBondContact O-N 2.95Å; L2133-G2135 VanDerWaalsContact C-N 3.28Å; L2133-G2135 PolarHBondContact O-N 3.3Å; G2135-V2137 PolarHBondContact O-N 3.2Å; G2135-A2138 VanDerWaalsContact O-CB 3.31Å; G2135-A2138 WeakPolarHBondContact O-CB 3.28Å; G2135-A2138 PolarHBondContact O-N 3.02Å; G2135-A2138 VanDerWaalsContact O-N 3.13Å; G2135-E2139 PolarHBondContact O-N 3.07Å
2136H69.3Low71.3Confident127 Ų12755.8 Ų55.859%0.58827%0.273SS*.Hα-helixtrans-64.9-36.8175.4-82.6-47.8000113.3N2132 L2133 A2138 E2139N2132-H2136 PolarHBondContact O-N 3.33Å; L2133-H2136 PolarHBondContact O-N 2.93Å; H2136-A2138 PolarHBondContact O-N 3.45Å; H2136-E2139 IonicContact CE1-OE2 3.81Å; H2136-E2139 IonicContact ND1-OE2 2.7Å; H2136-E2139 PolarHBondContact ND1-OE2 3.45Å; H2136-E2139 WeakPolarHBondContact O-CB 3.15Å; H2136-E2139 PolarHBondContact O-N 2.9Å
2137V69.3Low71.9Confident34 Ų3449.3 Ų49.321%0.20625%0.249CC..Hα-helixtrans-64.4-33.1174.2171.70000111L2115 L2133 I2134 G2135 E2139 E2140 F2141 V2145L2115-V2137 HydrophobicContact CD1-CG1 3.72Å; L2115-V2137 HydrophobicContact CD2-CG1 3.95Å; L2115-V2137 HydrophobicContact CG-CG1 4.06Å; L2133-V2137 VanDerWaalsContact O-CG2 3.31Å; L2133-V2137 WeakPolarHBondContact O-CG2 3.46Å; L2133-V2137 PolarHBondContact O-N 2.87Å; I2134-V2137 PolarHBondContact O-N 3.02Å; G2135-V2137 PolarHBondContact O-N 3.2Å; V2137-E2139 PolarHBondContact O-N 2.78Å; V2137-E2140 PolarHBondContact O-N 2.89Å; V2137-F2141 HydrophobicContact CG1-CD2 4.48Å; V2137-F2141 PolarHBondContact O-N 3.05Å; V2137-V2145 HydrophobicContact CG1-CG2 4.05Å
2138A71.7Confident72.4Confident1 Ų144.7 Ų44.71%0.00823%0.229CC..Hα-helixtrans-68.7-22.1176.700000113.2I2134 G2135 H2136 P2142 V2145 V2175I2134-A2138 WeakPolarHBondContact O-CB 3.33Å; I2134-A2138 PolarHBondContact O-N 3.17Å; G2135-A2138 VanDerWaalsContact O-CB 3.31Å; G2135-A2138 WeakPolarHBondContact O-CB 3.28Å; G2135-A2138 PolarHBondContact O-N 3.02Å; G2135-A2138 VanDerWaalsContact O-N 3.13Å; H2136-A2138 PolarHBondContact O-N 3.45Å; A2138-P2142 WeakPolarHBondContact O-CA 3.5Å; A2138-P2142 WeakPolarHBondContact O-CB 3.41Å; A2138-V2145 HydrophobicContact CB-CB 4.1Å; A2138-V2145 HydrophobicContact CB-CG1 3.97Å; A2138-V2145 HydrophobicContact CB-CG2 3.88Å; A2138-V2175 HydrophobicContact CB-CG2 3.58Å
2139E70Confident72.8Confident79 Ų7941.1 Ų41.137%0.36921%0.213SC..Hα-helixtrans-70.8-38.1172.7-63.1-179.2133.900111.6G2135 H2136 V2137 Y2179G2135-E2139 PolarHBondContact O-N 3.07Å; H2136-E2139 IonicContact CE1-OE2 3.81Å; H2136-E2139 IonicContact ND1-OE2 2.7Å; H2136-E2139 PolarHBondContact ND1-OE2 3.45Å; H2136-E2139 WeakPolarHBondContact O-CB 3.15Å; H2136-E2139 PolarHBondContact O-N 2.9Å; V2137-E2139 PolarHBondContact O-N 2.78Å; E2139-Y2179 PolarHBondContact O-OH 3.48Å
2140E67.2Low73.1Confident117 Ų11737.6 Ų37.655%0.54719%0.194SC..Hα-helixtrans-84.9-36.6176.1-75.5-160.3159.900113.2V2137 K2330V2137-E2140 PolarHBondContact O-N 2.89Å; E2140-K2330 IonicContact OE1-NZ 3.41Å; E2140-K2330 PolarHBondContact OE1-NZ 3.48Å; E2140-K2330 WeakPolarHBondContact OE2-CE 3.49Å; E2140-K2330 IonicContact OE2-NZ 2.65Å; E2140-K2330 PolarHBondContact OE2-NZ 2.88Å
2141F74.3Confident73.2Confident30 Ų3037.1 Ų37.113%0.13219%0.19CC..  trans-136.567.8-172-53.5-68.5000113V2137 E2143 S2144 V2145 P2328 K2330V2137-F2141 HydrophobicContact CG1-CD2 4.48Å; V2137-F2141 PolarHBondContact O-N 3.05Å; F2141-E2143 PolarHBondContact O-N 3Å; F2141-S2144 PolarHBondContact O-N 2.99Å; F2141-V2145 PolarHBondContact O-N 3.16Å; F2141-P2328 HydrophobicContact CD1-CB 4.1Å; F2141-P2328 HydrophobicContact CD2-CB 3.96Å; F2141-P2328 HydrophobicContact CE1-CB 4.17Å; F2141-P2328 HydrophobicContact CE2-CB 4.04Å; F2141-P2328 HydrophobicContact CG-CB 3.99Å; F2141-P2328 HydrophobicContact CZ-CB 4.13Å; F2141-K2330 HydrophobicContact CZ-CG 4.22Å
2142P77.8Confident73.5Confident13 Ų1337.1 Ų37.18%0.08419%0.187CC..Hα-helixtrans-63-37.3-172.323.6-33.3000113.9A2138 V2145 L2146 V2175 Y2179 L2182A2138-P2142 WeakPolarHBondContact O-CA 3.5Å; A2138-P2142 WeakPolarHBondContact O-CB 3.41Å; P2142-V2145 PolarHBondContact O-N 3.17Å; P2142-L2146 WeakPolarHBondContact O-CB 3.41Å; P2142-L2146 WeakPolarHBondContact O-CG 3.28Å; P2142-L2146 PolarHBondContact O-N 3.45Å; P2142-V2175 HydrophobicContact CB-CG1 4.37Å; P2142-Y2179 HydrophobicContact CB-CD2 3.99Å; P2142-Y2179 HydrophobicContact CB-CE2 4.11Å; P2142-Y2179 HydrophobicContact CB-CG 4.42Å; P2142-Y2179 HydrophobicContact CG-CD2 4.34Å; P2142-Y2179 HydrophobicContact CG-CE1 4.48Å; P2142-Y2179 HydrophobicContact CG-CE2 4.2Å; P2142-L2182 HydrophobicContact CG-CD1 4.45Å
2143E79.2Confident73.6Confident12 Ų1236.5 Ų36.56%0.05618%0.175CC..Hα-helixtrans-67.5-38.6-178-62.7152145.800112.1F2141 V2145 L2146 C2147 L2182 L2319 D2320 W2325F2141-E2143 PolarHBondContact O-N 3Å; E2143-V2145 VanDerWaalsContact C-N 3.34Å; E2143-L2146 PolarHBondContact O-N 3.41Å; E2143-C2147 WeakPolarHBondContact O-CB 3.49Å; E2143-C2147 PolarHBondContact O-N 3.19Å; E2143-L2182 HydrophobicContact CG-CD1 4.28Å; E2143-L2182 HydrophobicContact CG-CD2 3.64Å; E2143-L2182 HydrophobicContact CG-CG 4.41Å; E2143-L2319 HydrophobicContact CG-CD2 4.39Å; E2143-D2320 PolarHBondContact OE1-N 2.99Å; E2143-D2320 WeakPolarHBondContact OE2-CB 3.48Å; E2143-D2320 VanDerWaalsContact OE2-CG 3.24Å; E2143-W2325 HydrophobicContact CB-CG 4.4Å
2144S76Confident73.5Confident4 Ų433.6 Ų33.63%0.02816%0.163CC..Hα-helixtrans-64.7-42.7178.4-170.70000111.4F2141 H2148 W2325F2141-S2144 PolarHBondContact O-N 2.99Å; S2144-H2148 PolarHBondContact O-CD2 2.86Å; S2144-H2148 VanDerWaalsContact O-CD2 3.24Å; S2144-H2148 PolarHBondContact O-N 3.23Å; S2144-W2325 WeakPolarHBondContact CA-O 3.19Å; S2144-W2325 WeakPolarHBondContact CB-O 3.39Å; S2144-W2325 PolarHBondContact OG-O 3.28Å
2145V78.8Confident73.1Confident0 Ų035.6 Ų35.60%018%0.177CC..Hα-helixtrans-65.1-47.4174.6176.20000110.2L2115 F2119 I2134 V2137 A2138 F2141 P2142 E2143 C2147 H2148 L2149 I2171L2115-V2145 HydrophobicContact CD2-CG2 4.34Å; F2119-V2145 HydrophobicContact CZ-CG1 3.92Å; I2134-V2145 HydrophobicContact CG2-CG1 3.95Å; I2134-V2145 HydrophobicContact CG2-CG2 4.49Å; V2137-V2145 HydrophobicContact CG1-CG2 4.05Å; A2138-V2145 HydrophobicContact CB-CB 4.1Å; A2138-V2145 HydrophobicContact CB-CG1 3.97Å; A2138-V2145 HydrophobicContact CB-CG2 3.88Å; F2141-V2145 PolarHBondContact O-N 3.16Å; P2142-V2145 PolarHBondContact O-N 3.17Å; E2143-V2145 VanDerWaalsContact C-N 3.34Å; V2145-C2147 PolarHBondContact O-N 2.82Å; V2145-H2148 PolarHBondContact O-N 2.98Å; V2145-L2149 HydrophobicContact CG1-CD1 4.2Å; V2145-L2149 VanDerWaalsContact O-CB 3.3Å; V2145-L2149 WeakPolarHBondContact O-CB 3.4Å; V2145-L2149 PolarHBondContact O-N 3.49Å; V2145-I2171 HydrophobicContact CG1-CG2 4.09Å
2146L80.3Confident72.6Confident10 Ų1036 Ų365%0.05218%0.179CC..Hα-helixtrans-57.7-45.9179.5-80.5165.7000113P2142 E2143 H2148 L2149 Q2150 V2175 L2182 F2186P2142-L2146 WeakPolarHBondContact O-CB 3.41Å; P2142-L2146 WeakPolarHBondContact O-CG 3.28Å; P2142-L2146 PolarHBondContact O-N 3.45Å; E2143-L2146 PolarHBondContact O-N 3.41Å; L2146-H2148 PolarHBondContact O-N 2.96Å; L2146-L2149 PolarHBondContact O-N 2.83Å; L2146-Q2150 PolarHBondContact O-N 3.34Å; L2146-Q2150 VanDerWaalsContact O-N 3.08Å; L2146-V2175 HydrophobicContact CD1-CG1 4.14Å; L2146-V2175 HydrophobicContact CD2-CG1 4.19Å; L2146-V2175 HydrophobicContact CG-CG1 4.06Å; L2146-L2182 HydrophobicContact CD1-CD2 3.89Å; L2146-F2186 HydrophobicContact CB-CD1 4.12Å; L2146-F2186 HydrophobicContact CB-CE1 4.11Å; L2146-F2186 HydrophobicContact CD1-CB 4.48Å
2147C77.7Confident71.9Confident3 Ų334.7 Ų34.72%0.0218%0.184CC..Hα-helixtrans-59-47.6178.8-167.50000111.3E2143 V2145 I2151 F2186 W2325E2143-C2147 WeakPolarHBondContact O-CB 3.49Å; E2143-C2147 PolarHBondContact O-N 3.19Å; V2145-C2147 PolarHBondContact O-N 2.82Å; C2147-I2151 WeakPolarHBondContact O-CD1 3.04Å; C2147-I2151 WeakPolarHBondContact O-CG1 3.48Å; C2147-F2186 HydrophobicContact CB-CZ 3.91Å; C2147-W2325 HydrophobicContact CB-CB 4.31Å
2148H75.8Confident71.2Confident18 Ų1836.1 Ų36.18%0.08321%0.206CC..Hα-helixtrans-68.4-37.2177.2-74.4-56.7000112.7F2119 S2144 V2145 L2146 Q2150 I2151 Y2152F2119-H2148 HydrophobicContact CD2-CB 3.89Å; F2119-H2148 HydrophobicContact CE2-CB 3.63Å; F2119-H2148 HydrophobicContact CZ-CB 4.08Å; S2144-H2148 PolarHBondContact O-CD2 2.86Å; S2144-H2148 VanDerWaalsContact O-CD2 3.24Å; S2144-H2148 PolarHBondContact O-N 3.23Å; V2145-H2148 PolarHBondContact O-N 2.98Å; L2146-H2148 PolarHBondContact O-N 2.96Å; H2148-Q2150 VanDerWaalsContact C-N 3.3Å; H2148-Q2150 PolarHBondContact O-N 3.14Å; H2148-I2151 PolarHBondContact O-N 2.71Å; H2148-Y2152 VanDerWaalsContact O-CD2 3.27Å; H2148-Y2152 WeakPolarHBondContact O-CD2 3.32Å; H2148-Y2152 PolarHBondContact O-N 2.8Å; H2148-Y2152 VanDerWaalsContact O-N 3.11Å
2149L77.8Confident70Confident3 Ų344.5 Ų44.52%0.01625%0.245CC..Hα-helixtrans-61.2-38.6179.1-136.9154.9000111.6F2119 V2145 L2146 I2151 R2153 L2168 I2171 H2172F2119-L2149 HydrophobicContact CE1-CB 4.44Å; F2119-L2149 HydrophobicContact CE1-CG 4.16Å; V2145-L2149 HydrophobicContact CG1-CD1 4.2Å; V2145-L2149 VanDerWaalsContact O-CB 3.3Å; V2145-L2149 WeakPolarHBondContact O-CB 3.4Å; V2145-L2149 PolarHBondContact O-N 3.49Å; L2146-L2149 PolarHBondContact O-N 2.83Å; L2149-I2151 VanDerWaalsContact C-N 3.32Å; L2149-I2151 PolarHBondContact O-N 3.39Å; L2149-R2153 WeakPolarHBondContact O-CB 3.38Å; L2149-R2153 PolarHBondContact O-N 2.93Å; L2149-L2168 HydrophobicContact CD2-CB 4.34Å; L2149-L2168 HydrophobicContact CD2-CD2 4.49Å; L2149-L2168 HydrophobicContact CG-CD2 4.47Å; L2149-I2171 HydrophobicContact CD1-CB 4.02Å; L2149-I2171 HydrophobicContact CD1-CG2 3.55Å; L2149-H2172 HydrophobicContact CD1-CB 4.26Å; L2149-H2172 HydrophobicContact CD2-CB 4.02Å
2150Q74Confident68.8Low67 Ų6745.8 Ų45.831%0.31327%0.27SS..Hα-helixtrans-64.1-36.3180-146.9169.1-3.500112.5L2146 H2148 S2154 F2186 S2190L2146-Q2150 PolarHBondContact O-N 3.34Å; L2146-Q2150 VanDerWaalsContact O-N 3.08Å; H2148-Q2150 VanDerWaalsContact C-N 3.3Å; H2148-Q2150 PolarHBondContact O-N 3.14Å; Q2150-S2154 PolarHBondContact O-N 3.06Å; Q2150-S2154 PolarHBondContact O-OG 3.3Å; Q2150-F2186 VanDerWaalsContact OE1-CE1 3.3Å; Q2150-S2190 PolarHBondContact NE2-OG 3.42Å
2151I72.4Confident68.3Low9 Ų943.6 Ų43.65%0.04626%0.262CS..Hα-helixtrans-72.8-49.8178.3-56159.7000110.8C2147 H2148 L2149 S2154 S2155 L2377 P2417C2147-I2151 WeakPolarHBondContact O-CD1 3.04Å; C2147-I2151 WeakPolarHBondContact O-CG1 3.48Å; H2148-I2151 PolarHBondContact O-N 2.71Å; L2149-I2151 VanDerWaalsContact C-N 3.32Å; L2149-I2151 PolarHBondContact O-N 3.39Å; I2151-S2154 PolarHBondContact O-N 3.06Å; I2151-S2154 PolarHBondContact O-OG 3.49Å; I2151-S2155 PolarHBondContact O-N 3.35Å; I2151-S2155 VanDerWaalsContact O-N 3.15Å; I2151-L2377 HydrophobicContact CG2-CD1 3.99Å; I2151-P2417 HydrophobicContact CD1-CB 3.74Å; I2151-P2417 HydrophobicContact CD1-CG 3.34Å; I2151-P2417 HydrophobicContact CG1-CB 4.13Å; I2151-P2417 HydrophobicContact CG1-CG 4.27Å
2152Y74.1Confident67.9Low19 Ų1950.8 Ų50.88%0.07530%0.295CS..Hα-helixtrans-73.1-31.2-176.6-74.5-74000112.2F2119 H2148 S2154 S2155 A2156F2119-Y2152 HydrophobicContact CB-CD2 3.65Å; F2119-Y2152 HydrophobicContact CB-CE2 3.6Å; F2119-Y2152 HydrophobicContact CB-CG 4.25Å; F2119-Y2152 HydrophobicContact CD1-CD2 4.22Å; F2119-Y2152 AromaticContact CG-CD2 3.99Å; F2119-Y2152 HydrophobicContact CG-CD2 3.99Å; F2119-Y2152 HydrophobicContact CG-CE2 4.24Å; H2148-Y2152 VanDerWaalsContact O-CD2 3.27Å; H2148-Y2152 WeakPolarHBondContact O-CD2 3.32Å; H2148-Y2152 PolarHBondContact O-N 2.8Å; H2148-Y2152 VanDerWaalsContact O-N 3.11Å; Y2152-S2154 PolarHBondContact O-N 3.37Å; Y2152-S2155 WeakPolarHBondContact CA-OG 3.45Å; Y2152-S2155 PolarHBondContact O-N 3.03Å; Y2152-S2155 PolarHBondContact O-OG 3.22Å; Y2152-A2156 WeakPolarHBondContact O-CB 3.39Å; Y2152-A2156 PolarHBondContact O-N 3.32Å
2153R71.8Confident67.5Low109 Ų10956.5 Ų56.541%0.41132%0.321SS..Hα-helixtrans-62.3-40.2173.7-172.6-178.8-173.6-178.94112.5L2149 E2169L2149-R2153 WeakPolarHBondContact O-CB 3.38Å; L2149-R2153 PolarHBondContact O-N 2.93Å; R2153-E2169 IonicContact NH2-OE1 3.94Å
2154S65.4Low67Low37 Ų3756.3 Ų56.326%0.25932%0.321SS..Hα-helixtrans-72.1-36.8176.541.40000111.7Q2150 I2151 Y2152 A2156 S2157Q2150-S2154 PolarHBondContact O-N 3.06Å; Q2150-S2154 PolarHBondContact O-OG 3.3Å; I2151-S2154 PolarHBondContact O-N 3.06Å; I2151-S2154 PolarHBondContact O-OG 3.49Å; Y2152-S2154 PolarHBondContact O-N 3.37Å; S2154-A2156 PolarHBondContact O-N 3.16Å; S2154-S2157 PolarHBondContact O-N 3.25Å; S2154-S2157 PolarHBondContact O-OG 3.36Å
2155S62.4Low66.9Low44 Ų4458.6 Ų58.631%0.30834%0.335SS..Hα-helixtrans-63.9-37.1174.476.40000114.1I2151 Y2152 S2157I2151-S2155 PolarHBondContact O-N 3.35Å; I2151-S2155 VanDerWaalsContact O-N 3.15Å; Y2152-S2155 WeakPolarHBondContact CA-OG 3.45Å; Y2152-S2155 PolarHBondContact O-N 3.03Å; Y2152-S2155 PolarHBondContact O-OG 3.22Å; S2155-S2157 VanDerWaalsContact C-N 3.26Å; S2155-S2157 PolarHBondContact O-N 3.24Å
2156A59Low66.9Low20 Ų2061.3 Ų61.317%0.16536%0.357CS..THydrogen-bonded Turntrans-76.2-10.9-177.600000113.7Y2152 S2154 V2165 L2168Y2152-A2156 WeakPolarHBondContact O-CB 3.39Å; Y2152-A2156 PolarHBondContact O-N 3.32Å; S2154-A2156 PolarHBondContact O-N 3.16Å; A2156-V2165 HydrophobicContact CB-CG2 4.07Å; A2156-L2168 HydrophobicContact CB-CD1 4.36Å
2157S55.4Low66.7Low99 Ų9961.4 Ų61.469%0.69236%0.359SS*.THydrogen-bonded Turntrans-82-12.3-179.266.20000114.3S2154 S2155S2154-S2157 PolarHBondContact O-N 3.25Å; S2154-S2157 PolarHBondContact O-OG 3.36Å; S2155-S2157 VanDerWaalsContact C-N 3.26Å; S2155-S2157 PolarHBondContact O-N 3.24Å
2158G53.6Low66.8Low65 Ų6561.4 Ų61.467%0.6736%0.359SS*.SBendtrans-90.8-23.1-174.300000116
2159E47.9Very low67Low177 Ų17764 Ų6483%0.82737%0.371SS*.SBendtrans-141.8124.3179.1-69.3-179174.100108.9D2161E2159-D2161 PolarHBondContact O-N 3.41Å
2160A44.3Very low67.2Low106 Ų10671.7 Ų71.788%0.87640%0.404SS*.  trans-64.7114.2-16100000115.2
2161D55.7Low67.5Low71 Ų7168.8 Ų68.838%0.3839%0.391SS..  trans-149.197157.6-97.7-27.6000110R2126 E2159 E2163 V2164 V2165R2126-D2161 IonicContact CZ-OD2 3.87Å; R2126-D2161 IonicContact NE-OD2 3Å; R2126-D2161 PolarHBondContact NE-OD2 3.33Å; R2126-D2161 IonicContact NH2-OD1 2.92Å; R2126-D2161 IonicContact NH2-OD2 2.81Å; R2126-D2161 PolarHBondContact NH2-OD2 3.33Å; E2159-D2161 PolarHBondContact O-N 3.41Å; D2161-E2163 PolarHBondContact O-N 3.17Å; D2161-V2164 HydrophobicContact CB-CG2 4.36Å; D2161-V2164 PolarHBondContact O-N 3.01Å; D2161-V2165 PolarHBondContact O-N 2.76Å
2162E65.9Low67.9Low180 Ų18070.9 Ų70.984%0.84140%0.401SS*.Hα-helixtrans-57.5-32.3-176.9-73.1-172.4157.400113.3V2165 A2166E2162-V2165 PolarHBondContact O-N 2.89Å; E2162-A2166 VanDerWaalsContact O-CB 3.27Å; E2162-A2166 WeakPolarHBondContact O-CB 3.45Å; E2162-A2166 PolarHBondContact O-N 3.1Å
2163E69Low68.2Low133 Ų13376 Ų7662%0.62142%0.423SS*.Hα-helixtrans-68.1-37.5-176.9-65.5-172.2162.300113.2F2128 D2161 A2166 A2167F2128-E2163 HydrophobicContact CE1-CB 4.16Å; F2128-E2163 HydrophobicContact CZ-CB 3.84Å; D2161-E2163 PolarHBondContact O-N 3.17Å; E2163-A2166 PolarHBondContact O-N 2.83Å; E2163-A2167 PolarHBondContact O-N 3.02Å
2164V69.6Low68.6Low9 Ų974.8 Ų74.86%0.05542%0.422CS..Hα-helixtrans-70.6-42.5178.2176.50000109.9C2123 D2161 A2166 A2167 L2168C2123-V2164 HydrophobicContact CB-CG1 4.21Å; D2161-V2164 HydrophobicContact CB-CG2 4.36Å; D2161-V2164 PolarHBondContact O-N 3.01Å; V2164-A2166 VanDerWaalsContact C-N 3.33Å; V2164-A2166 PolarHBondContact O-N 3.35Å; V2164-A2167 PolarHBondContact O-N 3.43Å; V2164-L2168 HydrophobicContact CG1-CD1 4.25Å; V2164-L2168 WeakPolarHBondContact O-CG 3.47Å; V2164-L2168 PolarHBondContact O-N 2.99Å
2165V74.3Confident69.2Low52 Ų5273 Ų7332%0.31541%0.409SS..Hα-helixtrans-62.3-42.6174.5179.70000110.4A2156 D2161 E2162 A2167 L2168 E2169A2156-V2165 HydrophobicContact CB-CG2 4.07Å; D2161-V2165 PolarHBondContact O-N 2.76Å; E2162-V2165 PolarHBondContact O-N 2.89Å; V2165-A2167 PolarHBondContact O-N 2.8Å; V2165-L2168 PolarHBondContact O-N 3.43Å; V2165-E2169 WeakPolarHBondContact O-CB 3.38Å; V2165-E2169 PolarHBondContact O-N 3.42Å
2166A78Confident69.8Low57 Ų5772.4 Ų72.447%0.47141%0.407SS..Hα-helixtrans-61.9-40.9176.400000112.3E2162 E2163 V2164 E2169 K2170E2162-A2166 VanDerWaalsContact O-CB 3.27Å; E2162-A2166 WeakPolarHBondContact O-CB 3.45Å; E2162-A2166 PolarHBondContact O-N 3.1Å; E2163-A2166 PolarHBondContact O-N 2.83Å; V2164-A2166 VanDerWaalsContact C-N 3.33Å; V2164-A2166 PolarHBondContact O-N 3.35Å; A2166-E2169 PolarHBondContact O-N 3.3Å; A2166-K2170 WeakPolarHBondContact O-CB 3.32Å; A2166-K2170 PolarHBondContact O-N 3.47Å
2167A76.2Confident70.7Confident12 Ų1277.1 Ų77.110%0.09943%0.434CS..Hα-helixtrans-65.5-44.4175.800000112.2L2122 F2128 E2163 V2164 V2165 K2170 I2171L2122-A2167 HydrophobicContact CD2-CB 4.13Å; F2128-A2167 HydrophobicContact CD1-CB 4.05Å; F2128-A2167 HydrophobicContact CE1-CB 4.22Å; E2163-A2167 PolarHBondContact O-N 3.02Å; V2164-A2167 PolarHBondContact O-N 3.43Å; V2165-A2167 PolarHBondContact O-N 2.8Å; A2167-K2170 WeakPolarHBondContact O-CB 3.25Å; A2167-K2170 PolarHBondContact O-N 2.95Å; A2167-I2171 WeakPolarHBondContact O-CG1 3.37Å; A2167-I2171 PolarHBondContact O-N 3.35Å; A2167-I2171 VanDerWaalsContact O-N 3.14Å
2168L79.5Confident71.6Confident3 Ų374.6 Ų74.62%0.01641%0.414CS..Hα-helixtrans-63.6-41.2175.2-71.4172000111.8F2119 L2122 L2149 A2156 V2164 V2165 K2170 I2171 H2172F2119-L2168 HydrophobicContact CD1-CD2 4.07Å; F2119-L2168 HydrophobicContact CE1-CD2 4.16Å; L2122-L2168 HydrophobicContact CD2-CD2 3.92Å; L2122-L2168 HydrophobicContact CD2-CG 4.13Å; L2149-L2168 HydrophobicContact CD2-CB 4.34Å; L2149-L2168 HydrophobicContact CD2-CD2 4.49Å; L2149-L2168 HydrophobicContact CG-CD2 4.47Å; A2156-L2168 HydrophobicContact CB-CD1 4.36Å; V2164-L2168 HydrophobicContact CG1-CD1 4.25Å; V2164-L2168 WeakPolarHBondContact O-CG 3.47Å; V2164-L2168 PolarHBondContact O-N 2.99Å; V2165-L2168 PolarHBondContact O-N 3.43Å; L2168-K2170 VanDerWaalsContact C-N 3.3Å; L2168-K2170 PolarHBondContact O-N 3.45Å; L2168-I2171 PolarHBondContact O-N 3.42Å; L2168-H2172 PolarHBondContact O-N 3.37Å
2169E80.3Confident72.6Confident73 Ų7373.5 Ų73.534%0.34139%0.39SS..Hα-helixtrans-62.5-37.6173.5-85.1-149.1162.800112.3R2153 V2165 A2166 I2171 H2172 K2173R2153-E2169 IonicContact NH2-OE1 3.94Å; V2165-E2169 WeakPolarHBondContact O-CB 3.38Å; V2165-E2169 PolarHBondContact O-N 3.42Å; A2166-E2169 PolarHBondContact O-N 3.3Å; E2169-I2171 VanDerWaalsContact C-N 3.34Å; E2169-H2172 PolarHBondContact O-N 3.36Å; E2169-K2173 WeakPolarHBondContact O-CB 3.31Å; E2169-K2173 WeakPolarHBondContact O-CG 3.45Å; E2169-K2173 PolarHBondContact O-N 2.72Å; E2169-K2173 IonicContact OE2-NZ 3.54Å; E2169-K2173 PolarHBondContact OE2-NZ 3.5Å
2170K82Confident73.7Confident163 Ų16367.1 Ų67.171%0.70936%0.364SS*.Hα-helixtrans-63.6-41.8178-154.9178.1-173.4-179.20111A2166 A2167 L2168 H2174A2166-K2170 WeakPolarHBondContact O-CB 3.32Å; A2166-K2170 PolarHBondContact O-N 3.47Å; A2167-K2170 WeakPolarHBondContact O-CB 3.25Å; A2167-K2170 PolarHBondContact O-N 2.95Å; L2168-K2170 VanDerWaalsContact C-N 3.3Å; L2168-K2170 PolarHBondContact O-N 3.45Å; K2170-H2174 WeakPolarHBondContact O-CB 3.39Å; K2170-H2174 PolarHBondContact O-N 3.34Å
2171I79.8Confident74.9Confident6 Ų665.1 Ų65.13%0.03134%0.341CS..Hα-helixtrans-65.4-46.1174.3-60.6165.2000110.1A2131 I2134 V2145 L2149 A2167 L2168 E2169 K2173 H2174 V2175A2131-I2171 HydrophobicContact CB-CD1 4.25Å; I2134-I2171 HydrophobicContact CB-CD1 4.23Å; I2134-I2171 HydrophobicContact CD1-CD1 4.36Å; I2134-I2171 HydrophobicContact CG2-CD1 4.04Å; I2134-I2171 HydrophobicContact CG2-CG2 4.05Å; V2145-I2171 HydrophobicContact CG1-CG2 4.09Å; L2149-I2171 HydrophobicContact CD1-CB 4.02Å; L2149-I2171 HydrophobicContact CD1-CG2 3.55Å; A2167-I2171 WeakPolarHBondContact O-CG1 3.37Å; A2167-I2171 PolarHBondContact O-N 3.35Å; A2167-I2171 VanDerWaalsContact O-N 3.14Å; L2168-I2171 PolarHBondContact O-N 3.42Å; E2169-I2171 VanDerWaalsContact C-N 3.34Å; I2171-K2173 PolarHBondContact O-N 2.92Å; I2171-H2174 WeakPolarHBondContact O-CB 3.15Å; I2171-H2174 PolarHBondContact O-N 2.89Å; I2171-V2175 WeakPolarHBondContact O-CG2 3.4Å; I2171-V2175 PolarHBondContact O-N 3.36Å
2172H81.2Confident75.9Confident54 Ų5463.4 Ų63.425%0.2533%0.331CS..Hα-helixtrans-61.9-44.7178.8-173.569.5000112.3L2149 L2168 E2169 H2174 V2175 A2176L2149-H2172 HydrophobicContact CD1-CB 4.26Å; L2149-H2172 HydrophobicContact CD2-CB 4.02Å; L2168-H2172 PolarHBondContact O-N 3.37Å; E2169-H2172 PolarHBondContact O-N 3.36Å; H2172-H2174 VanDerWaalsContact C-N 3.33Å; H2172-H2174 PolarHBondContact O-N 2.85Å; H2172-V2175 PolarHBondContact O-N 3.33Å; H2172-A2176 VanDerWaalsContact O-CB 3.26Å; H2172-A2176 WeakPolarHBondContact O-CB 3.5Å; H2172-A2176 PolarHBondContact O-N 2.87Å
2173K80.6Confident76.5Confident127 Ų12755.4 Ų55.455%0.55230%0.296SS*.Hα-helixtrans-60.8-41.9174-80.1172.3177.4153.20111.2E2169 I2171 A2176 V2177E2169-K2173 WeakPolarHBondContact O-CB 3.31Å; E2169-K2173 WeakPolarHBondContact O-CG 3.45Å; E2169-K2173 PolarHBondContact O-N 2.72Å; E2169-K2173 IonicContact OE2-NZ 3.54Å; E2169-K2173 PolarHBondContact OE2-NZ 3.5Å; I2171-K2173 PolarHBondContact O-N 2.92Å; K2173-A2176 PolarHBondContact O-N 3.31Å; K2173-V2177 WeakPolarHBondContact O-CB 3.47Å; K2173-V2177 WeakPolarHBondContact O-CG2 3.41Å; K2173-V2177 PolarHBondContact O-N 3.42Å
2174H81.3Confident76.8Confident82 Ų8252.6 Ų52.638%0.3829%0.29SS..Hα-helixtrans-59.9-47.7177.1-172.473.3000111.8K2170 I2171 H2172 V2177 T2178K2170-H2174 WeakPolarHBondContact O-CB 3.39Å; K2170-H2174 PolarHBondContact O-N 3.34Å; I2171-H2174 WeakPolarHBondContact O-CB 3.15Å; I2171-H2174 PolarHBondContact O-N 2.89Å; H2172-H2174 VanDerWaalsContact C-N 3.33Å; H2172-H2174 PolarHBondContact O-N 2.85Å; H2174-V2177 PolarHBondContact O-N 3.09Å; H2174-T2178 PolarHBondContact O-N 3.23Å; H2174-T2178 PolarHBondContact O-OG1 3.16Å
2175V77.8Confident77.1Confident0 Ų052.7 Ų52.70%029%0.292CS..Hα-helixtrans-66.9-42.5177.6178.60000111.9A2138 P2142 L2146 I2171 H2172 V2177 T2178 Y2179A2138-V2175 HydrophobicContact CB-CG2 3.58Å; P2142-V2175 HydrophobicContact CB-CG1 4.37Å; L2146-V2175 HydrophobicContact CD1-CG1 4.14Å; L2146-V2175 HydrophobicContact CD2-CG1 4.19Å; L2146-V2175 HydrophobicContact CG-CG1 4.06Å; I2171-V2175 WeakPolarHBondContact O-CG2 3.4Å; I2171-V2175 PolarHBondContact O-N 3.36Å; H2172-V2175 PolarHBondContact O-N 3.33Å; V2175-V2177 VanDerWaalsContact C-N 3.27Å; V2175-V2177 PolarHBondContact O-N 3.02Å; V2175-T2178 WeakPolarHBondContact CA-OG1 3.38Å; V2175-T2178 PolarHBondContact O-N 2.85Å; V2175-T2178 PolarHBondContact O-OG1 3.44Å; V2175-Y2179 PolarHBondContact O-N 2.9Å
2176A75.3Confident77.4Confident31 Ų3150.4 Ų50.426%0.25628%0.278SS..Hα-helixtrans-64.2-31.8178.500000112.5H2172 K2173 P2180H2172-A2176 VanDerWaalsContact O-CB 3.26Å; H2172-A2176 WeakPolarHBondContact O-CB 3.5Å; H2172-A2176 PolarHBondContact O-N 2.87Å; K2173-A2176 PolarHBondContact O-N 3.31Å; A2176-P2180 WeakPolarHBondContact O-CA 3.4Å; A2176-P2180 WeakPolarHBondContact O-CB 3.43Å
2177V77Confident77.4Confident120 Ų12049.9 Ų49.973%0.72727%0.274SS*.Hα-helixtrans-77.3-39.6175.5172.10000111.7K2173 H2174 V2175K2173-V2177 WeakPolarHBondContact O-CB 3.47Å; K2173-V2177 WeakPolarHBondContact O-CG2 3.41Å; K2173-V2177 PolarHBondContact O-N 3.42Å; H2174-V2177 PolarHBondContact O-N 3.09Å; V2175-V2177 VanDerWaalsContact C-N 3.27Å; V2175-V2177 PolarHBondContact O-N 3.02Å
2178T74.2Confident77.4Confident46 Ų4653 Ų5328%0.28229%0.288SS..Hα-helixtrans-77.9-3218033.40000113.8R472 H2174 V2175R472-T2178 PolarHBondContact NH1-O 2.95Å; H2174-T2178 PolarHBondContact O-N 3.23Å; H2174-T2178 PolarHBondContact O-OG1 3.16Å; V2175-T2178 WeakPolarHBondContact CA-OG1 3.38Å; V2175-T2178 PolarHBondContact O-N 2.85Å; V2175-T2178 PolarHBondContact O-OG1 3.44Å
2179Y74.6Confident77.6Confident42 Ų4253 Ų5317%0.16529%0.288CS..SBendtrans-137.364.9-177.5-58.1-85.9000112.2R472 E2139 P2142 V2175 V2181 L2182 S2183R472-Y2179 PolarHBondContact NE-OH 3.01Å; R472-Y2179 VanDerWaalsContact NH1-CE2 3.34Å; R472-Y2179 PolarHBondContact NH1-OH 3.46Å; R472-Y2179 PolarHBondContact NH2-OH 3.25Å; E2139-Y2179 PolarHBondContact O-OH 3.48Å; P2142-Y2179 HydrophobicContact CB-CD2 3.99Å; P2142-Y2179 HydrophobicContact CB-CE2 4.11Å; P2142-Y2179 HydrophobicContact CB-CG 4.42Å; P2142-Y2179 HydrophobicContact CG-CD2 4.34Å; P2142-Y2179 HydrophobicContact CG-CE1 4.48Å; P2142-Y2179 HydrophobicContact CG-CE2 4.2Å; V2175-Y2179 PolarHBondContact O-N 2.9Å; Y2179-V2181 PolarHBondContact O-N 3.41Å; Y2179-L2182 PolarHBondContact O-N 3.46Å; Y2179-S2183 WeakPolarHBondContact O-CB 3.17Å; Y2179-S2183 PolarHBondContact O-N 2.92Å
2180P71.6Confident77.5Confident43 Ų4349.6 Ų49.628%0.27927%0.272SS..Hα-helixtrans-63.1-41.6-172.521.9-32.1000113.5L410 A2176 S2184L410-P2180 HydrophobicContact CD1-CB 4.4Å; L410-P2180 HydrophobicContact CD1-CG 4.45Å; L410-P2180 HydrophobicContact CD2-CG 3.7Å; A2176-P2180 WeakPolarHBondContact O-CA 3.4Å; A2176-P2180 WeakPolarHBondContact O-CB 3.43Å; P2180-S2184 PolarHBondContact O-N 3.16Å
2181V69.8Low77.5Confident64 Ų6448.5 Ų48.539%0.38827%0.268SS..Hα-helixtrans-64.5-48.2-179.1-175.10000110.7L410 Y2179 S2184 A2185L410-V2181 WeakPolarHBondContact O-CG2 3.44Å; Y2179-V2181 PolarHBondContact O-N 3.41Å; V2181-S2184 PolarHBondContact O-N 3.03Å; V2181-S2184 PolarHBondContact O-OG 2.62Å; V2181-A2185 WeakPolarHBondContact O-CB 3.35Å; V2181-A2185 PolarHBondContact O-N 2.81Å
2182L76.7Confident77.6Confident34 Ų3450.8 Ų50.818%0.17828%0.276CS..Hα-helixtrans-66.1-42.1-177.5-165.8150.8000111.1P2142 E2143 L2146 Y2179 A2185 F2186P2142-L2182 HydrophobicContact CG-CD1 4.45Å; E2143-L2182 HydrophobicContact CG-CD1 4.28Å; E2143-L2182 HydrophobicContact CG-CD2 3.64Å; E2143-L2182 HydrophobicContact CG-CG 4.41Å; L2146-L2182 HydrophobicContact CD1-CD2 3.89Å; Y2179-L2182 PolarHBondContact O-N 3.46Å; L2182-A2185 PolarHBondContact O-N 3.18Å; L2182-F2186 VanDerWaalsContact O-CB 3.29Å; L2182-F2186 WeakPolarHBondContact O-CB 3.2Å; L2182-F2186 PolarHBondContact O-N 3.24Å
2183S77.5Confident77.5Confident13 Ų1348.5 Ų48.59%0.09127%0.266CS..Hα-helixtrans-58.8-47.6174.3-178.70000111.9Y2179 A2187Y2179-S2183 WeakPolarHBondContact O-CB 3.17Å; Y2179-S2183 PolarHBondContact O-N 2.92Å; S2183-A2187 WeakPolarHBondContact O-CB 3.36Å; S2183-A2187 PolarHBondContact O-N 3.37Å; S2183-A2187 VanDerWaalsContact O-N 3.08Å
2184S76.4Confident77.4Confident73 Ų7344.4 Ų44.451%0.5125%0.25SC..Hα-helixtrans-66.1-42.5178.981.80000112.2P2180 V2181 F2186 A2187 D2188P2180-S2184 PolarHBondContact O-N 3.16Å; V2181-S2184 PolarHBondContact O-N 3.03Å; V2181-S2184 PolarHBondContact O-OG 2.62Å; S2184-F2186 PolarHBondContact O-N 3.21Å; S2184-A2187 PolarHBondContact O-N 3.38Å; S2184-D2188 WeakPolarHBondContact O-CB 3.41Å; S2184-D2188 PolarHBondContact O-N 3.41Å
2185A75Confident77.3Confident11 Ų1143.8 Ų43.89%0.09125%0.254CS..Hα-helixtrans-66.2-39.8-178.700000111.9V2181 L2182 F2189 A2317 L2319V2181-A2185 WeakPolarHBondContact O-CB 3.35Å; V2181-A2185 PolarHBondContact O-N 2.81Å; L2182-A2185 PolarHBondContact O-N 3.18Å; A2185-F2189 WeakPolarHBondContact O-CB 3.32Å; A2185-F2189 PolarHBondContact O-N 3.11Å; A2185-A2317 HydrophobicContact CB-CB 3.39Å; A2185-L2319 HydrophobicContact CB-CD1 4.33Å
2186F80.2Confident77.3Confident5 Ų546.6 Ų46.62%0.02227%0.267CS..Hα-helixtrans-64.3-43.6174.8-173.5-91.1000111.7L2146 C2147 Q2150 L2182 S2184 S2190 L2319 W2325L2146-F2186 HydrophobicContact CB-CD1 4.12Å; L2146-F2186 HydrophobicContact CB-CE1 4.11Å; L2146-F2186 HydrophobicContact CD1-CB 4.48Å; C2147-F2186 HydrophobicContact CB-CZ 3.91Å; Q2150-F2186 VanDerWaalsContact OE1-CE1 3.3Å; L2182-F2186 VanDerWaalsContact O-CB 3.29Å; L2182-F2186 WeakPolarHBondContact O-CB 3.2Å; L2182-F2186 PolarHBondContact O-N 3.24Å; S2184-F2186 PolarHBondContact O-N 3.21Å; F2186-S2190 WeakPolarHBondContact O-CB 3.49Å; F2186-S2190 PolarHBondContact O-N 3.08Å; F2186-S2190 PolarHBondContact O-OG 3.18Å; F2186-L2319 HydrophobicContact CB-CD2 4.24Å; F2186-L2319 HydrophobicContact CD2-CD2 4Å; F2186-W2325 HydrophobicContact CD2-CH2 4.27Å; F2186-W2325 HydrophobicContact CD2-CZ2 4.21Å; F2186-W2325 AromaticContact CE2-CD2 3.77Å; F2186-W2325 HydrophobicContact CE2-CD2 3.77Å; F2186-W2325 AromaticContact CE2-CE2 3.85Å; F2186-W2325 AromaticContact CE2-CE3 3.62Å; F2186-W2325 HydrophobicContact CE2-CE3 3.62Å; F2186-W2325 AromaticContact CE2-CH2 3.69Å; F2186-W2325 HydrophobicContact CE2-CH2 3.69Å; F2186-W2325 AromaticContact CE2-CZ2 3.84Å; F2186-W2325 HydrophobicContact CE2-CZ2 3.84Å; F2186-W2325 AromaticContact CE2-CZ3 3.58Å; F2186-W2325 HydrophobicContact CE2-CZ3 3.58Å; F2186-W2325 HydrophobicContact CZ-CE3 4.04Å; F2186-W2325 HydrophobicContact CZ-CH2 4.49Å; F2186-W2325 HydrophobicContact CZ-CZ3 4.02Å
2187A78.4Confident77.3Confident46 Ų4645.2 Ų45.238%0.3826%0.255SS..Hα-helixtrans-64.2-44176.800000111.9S2183 S2184 S2190 K2191S2183-A2187 WeakPolarHBondContact O-CB 3.36Å; S2183-A2187 PolarHBondContact O-N 3.37Å; S2183-A2187 VanDerWaalsContact O-N 3.08Å; S2184-A2187 PolarHBondContact O-N 3.38Å; A2187-S2190 PolarHBondContact O-OG 3.35Å; A2187-S2190 VanDerWaalsContact O-OG 3.06Å; A2187-K2191 WeakPolarHBondContact O-CB 3.46Å; A2187-K2191 PolarHBondContact O-N 2.78Å
2188D77.2Confident77.1Confident76 Ų7640 Ų4041%0.40622%0.224SC..Hα-helixtrans-64.7-45.2177.4-115.822.9000111.7S2184 K2191 R2192S2184-D2188 WeakPolarHBondContact O-CB 3.41Å; S2184-D2188 PolarHBondContact O-N 3.41Å; D2188-K2191 PolarHBondContact O-N 2.96Å; D2188-R2192 WeakPolarHBondContact O-CB 3.42Å; D2188-R2192 WeakPolarHBondContact O-CG 3.49Å; D2188-R2192 PolarHBondContact O-N 3.13Å; D2188-R2192 IonicContact OD2-CZ 3.12Å; D2188-R2192 IonicContact OD2-NH1 2.73Å; D2188-R2192 IonicContact OD2-NH2 3.59Å; D2188-R2192 PolarHBondContact OD2-NH2 2.99Å
2189F82.1Confident77.1Confident4 Ų442.1 Ų42.12%0.01823%0.234CC..Hα-helixtrans-61.8-49.7179-176.9-98.2000111.5A2185 L2193 L2309 L2319 W2325 I2337 V2340 I2359A2185-F2189 WeakPolarHBondContact O-CB 3.32Å; A2185-F2189 PolarHBondContact O-N 3.11Å; F2189-L2193 HydrophobicContact CD1-CD1 3.82Å; F2189-L2193 HydrophobicContact CE1-CD1 3.24Å; F2189-L2193 HydrophobicContact CE2-CD1 4.23Å; F2189-L2193 HydrophobicContact CZ-CD1 3.48Å; F2189-L2193 VanDerWaalsContact CZ-CD1 3.48Å; F2189-L2193 WeakPolarHBondContact O-CB 3.45Å; F2189-L2193 PolarHBondContact O-N 3.4Å; F2189-L2193 VanDerWaalsContact O-N 3.09Å; F2189-L2309 HydrophobicContact CD2-CD2 3.58Å; F2189-L2309 HydrophobicContact CE2-CD2 3.63Å; F2189-L2319 HydrophobicContact CB-CD1 4.42Å; F2189-W2325 HydrophobicContact CD1-CH2 4.16Å; F2189-W2325 HydrophobicContact CE1-CH2 4.09Å; F2189-I2337 HydrophobicContact CZ-CD1 4.27Å; F2189-V2340 HydrophobicContact CE2-CG2 3.92Å; F2189-V2340 HydrophobicContact CZ-CG2 4.49Å; F2189-I2359 HydrophobicContact CZ-CD1 4.38Å
2190S79.5Confident76.8Confident1 Ų141.2 Ų41.21%0.00723%0.231CC..Hα-helixtrans-63.7-43.4178.758.20000112.3Q2150 F2186 A2187 L2193 I2194Q2150-S2190 PolarHBondContact NE2-OG 3.42Å; F2186-S2190 WeakPolarHBondContact O-CB 3.49Å; F2186-S2190 PolarHBondContact O-N 3.08Å; F2186-S2190 PolarHBondContact O-OG 3.18Å; A2187-S2190 PolarHBondContact O-OG 3.35Å; A2187-S2190 VanDerWaalsContact O-OG 3.06Å; S2190-L2193 PolarHBondContact O-N 3.34Å; S2190-I2194 VanDerWaalsContact O-CG1 3.32Å; S2190-I2194 WeakPolarHBondContact O-CG1 3.49Å; S2190-I2194 PolarHBondContact O-N 3.3Å; S2190-I2194 VanDerWaalsContact O-N 3.11Å
2191K81.5Confident76.9Confident140 Ų14041.2 Ų41.261%0.60923%0.229SC*.Hα-helixtrans-65.1-42.6-179.6-165.8-178.9-177.3-172.50112.2A2187 D2188 I2194 C2195A2187-K2191 WeakPolarHBondContact O-CB 3.46Å; A2187-K2191 PolarHBondContact O-N 2.78Å; D2188-K2191 PolarHBondContact O-N 2.96Å; K2191-I2194 PolarHBondContact O-N 3.43Å; K2191-C2195 WeakPolarHBondContact O-CB 3.4Å; K2191-C2195 PolarHBondContact O-N 3.43Å; K2191-C2195 PolarHBondContact O-SG 3.4Å; K2191-C2195 VanDerWaalsContact O-SG 3.42Å
2192R81.1Confident77.1Confident54 Ų5440.5 Ų40.520%0.20423%0.227CC..Hα-helixtrans-67-40.9176.9-71.9-174.7-173.4128.615112.4D2188 I2194 E2196 Q2308 L2309D2188-R2192 WeakPolarHBondContact O-CB 3.42Å; D2188-R2192 WeakPolarHBondContact O-CG 3.49Å; D2188-R2192 PolarHBondContact O-N 3.13Å; D2188-R2192 IonicContact OD2-CZ 3.12Å; D2188-R2192 IonicContact OD2-NH1 2.73Å; D2188-R2192 IonicContact OD2-NH2 3.59Å; D2188-R2192 PolarHBondContact OD2-NH2 2.99Å; R2192-I2194 VanDerWaalsContact C-N 3.28Å; R2192-I2194 PolarHBondContact O-N 2.96Å; R2192-E2196 VanDerWaalsContact O-CB 3.3Å; R2192-E2196 WeakPolarHBondContact O-CB 3.42Å; R2192-E2196 PolarHBondContact O-N 3.42Å; R2192-Q2308 VanDerWaalsContact NH2-OE1 3.14Å; R2192-L2309 HydrophobicContact CB-CD1 3.93Å; R2192-L2309 HydrophobicContact CB-CG 4.12Å
2193L80.2Confident77Confident6 Ų639.5 Ų39.53%0.03122%0.221CC..Iπ-helixtrans-56.4-43.8174.5-113.7152.5000111.8F2189 S2190 V2197 A2198 I2357 L2371 L2418F2189-L2193 HydrophobicContact CD1-CD1 3.82Å; F2189-L2193 HydrophobicContact CE1-CD1 3.24Å; F2189-L2193 HydrophobicContact CE2-CD1 4.23Å; F2189-L2193 HydrophobicContact CZ-CD1 3.48Å; F2189-L2193 VanDerWaalsContact CZ-CD1 3.48Å; F2189-L2193 WeakPolarHBondContact O-CB 3.45Å; F2189-L2193 PolarHBondContact O-N 3.4Å; F2189-L2193 VanDerWaalsContact O-N 3.09Å; S2190-L2193 PolarHBondContact O-N 3.34Å; L2193-V2197 WeakPolarHBondContact O-CB 3.29Å; L2193-V2197 PolarHBondContact O-N 3Å; L2193-A2198 PolarHBondContact O-N 2.7Å; L2193-I2357 HydrophobicContact CD2-CD1 3.31Å; L2193-L2371 HydrophobicContact CD2-CD1 4.09Å; L2193-L2418 HydrophobicContact CB-CD1 4.43Å; L2193-L2418 HydrophobicContact CD2-CD1 4.5Å
2194I78.8Confident76.9Confident42 Ų4239 Ų3922%0.21522%0.218CC..Iπ-helixtrans-72.7-52.8179.5-63.9166.4000111.1S2190 K2191 R2192 A2198 L2418S2190-I2194 VanDerWaalsContact O-CG1 3.32Å; S2190-I2194 WeakPolarHBondContact O-CG1 3.49Å; S2190-I2194 PolarHBondContact O-N 3.3Å; S2190-I2194 VanDerWaalsContact O-N 3.11Å; K2191-I2194 PolarHBondContact O-N 3.43Å; R2192-I2194 VanDerWaalsContact C-N 3.28Å; R2192-I2194 PolarHBondContact O-N 2.96Å; I2194-A2198 WeakPolarHBondContact O-CB 3.45Å; I2194-L2418 HydrophobicContact CD1-CB 4.28Å
2195C79.2Confident76.9Confident69 Ų6940.6 Ų40.647%0.46621%0.212SC..Iπ-helixtrans-76.5-34.4-171.5-650000114.2K2191 N2199K2191-C2195 WeakPolarHBondContact O-CB 3.4Å; K2191-C2195 PolarHBondContact O-N 3.43Å; K2191-C2195 PolarHBondContact O-SG 3.4Å; K2191-C2195 VanDerWaalsContact O-SG 3.42Å; C2195-N2199 PolarHBondContact O-ND2 3.25Å
2196E78Confident77.2Confident59 Ų5940 Ų4028%0.27621%0.208SC..Iπ-helixtrans-101.1-38-171.2-60174.3178.900112.2R2192 S2306R2192-E2196 VanDerWaalsContact O-CB 3.3Å; R2192-E2196 WeakPolarHBondContact O-CB 3.42Å; R2192-E2196 PolarHBondContact O-N 3.42Å; E2196-S2306 WeakPolarHBondContact OE2-CB 3.41Å; E2196-S2306 PolarHBondContact OE2-OG 2.88Å
2197V75.1Confident77Confident1 Ų139.9 Ų39.91%0.00621%0.207CC..Iπ-helixtrans-97.4-43.7-175.8-172.70000111.8L2193 L2302 L2309 K2355 I2357L2193-V2197 WeakPolarHBondContact O-CB 3.29Å; L2193-V2197 PolarHBondContact O-N 3Å; V2197-L2302 HydrophobicContact CG2-CD1 3.86Å; V2197-L2309 HydrophobicContact CG2-CD1 3.94Å; V2197-K2355 HydrophobicContact CG1-CD 4.41Å; V2197-K2355 WeakPolarHBondContact O-CD 3.47Å; V2197-K2355 WeakPolarHBondContact O-CE 3.44Å; V2197-K2355 PolarHBondContact O-NZ 3.04Å; V2197-I2357 HydrophobicContact CG1-CD1 3.8Å; V2197-I2357 HydrophobicContact CG1-CG1 4.32Å
2198A72.7Confident76.9Confident10 Ų1041 Ų418%0.08320%0.202CC..Iπ-helixtrans-67.4-41.1-171.400000114.1L2193 I2194 E2200 K2355 L2371 H2422L2193-A2198 PolarHBondContact O-N 2.7Å; I2194-A2198 WeakPolarHBondContact O-CB 3.45Å; A2198-E2200 PolarHBondContact O-N 2.93Å; A2198-K2355 PolarHBondContact O-NZ 2.91Å; A2198-L2371 HydrophobicContact CB-CD2 3.36Å; A2198-H2422 WeakPolarHBondContact CB-NE2 3.44Å
2199N74.6Confident77Confident91 Ų9138.3 Ų38.349%0.48719%0.187SC..  trans-44.7119-173.7-88-19.5000114C2195 K2355C2195-N2199 PolarHBondContact O-ND2 3.25Å; N2199-K2355 PolarHBondContact O-NZ 3.33Å
2200E67.8Low76.8Confident24 Ų2438.2 Ų38.211%0.11219%0.187CC..  trans-68135.8179-68.3-173.2147.400112.2A2198 E2204 R2205 R2208A2198-E2200 PolarHBondContact O-N 2.93Å; E2200-E2204 VanDerWaalsContact CA-OE2 3.29Å; E2200-E2204 WeakPolarHBondContact CA-OE2 3.26Å; E2200-E2204 HydrophobicContact CB-CB 4.26Å; E2200-R2205 IonicContact OE2-NE 3.14Å; E2200-R2208 IonicContact OE1-NE 3.9Å; E2200-R2208 IonicContact OE2-NE 2.97Å; E2200-R2208 IonicContact OE2-NH2 3.1Å
2201D72.8Confident76.8Confident43 Ų4339.5 Ų39.523%0.2319%0.191CC..  trans-71.7159.5166.9-81.6-8.9000111.3M2203 E2204 R2205 R2305D2201-M2203 PolarHBondContact O-N 3.25Å; D2201-E2204 HydrophobicContact CB-CG 4.14Å; D2201-E2204 PolarHBondContact N-OE2 3.33Å; D2201-E2204 PolarHBondContact O-N 3.16Å; D2201-R2205 PolarHBondContact O-N 2.99Å; D2201-R2305 IonicContact OD1-CZ 2.65Å; D2201-R2305 IonicContact OD1-NH1 2.74Å; D2201-R2305 IonicContact OD1-NH2 3.17Å; D2201-R2305 PolarHBondContact OD1-NH2 3.2Å; D2201-R2305 IonicContact OD2-NH2 3.09Å; D2201-R2305 PolarHBondContact OD2-NH2 2.9Å; D2201-R2305 VanDerWaalsContact OD2-NH2 3.13Å
2202S74.4Confident76.4Confident49 Ų4935.3 Ų35.334%0.34318%0.176SC..Hα-helixtrans-54.7-37.6178.953.50000113.2L2206S2202-L2206 VanDerWaalsContact O-CB 3.29Å; S2202-L2206 WeakPolarHBondContact O-CB 3.36Å; S2202-L2206 PolarHBondContact O-N 3.19Å; S2202-L2206 VanDerWaalsContact O-N 3.08Å
2203M75.1Confident76.4Confident12 Ų1232.8 Ų32.86%0.05917%0.166CC..Hα-helixtrans-66.1-41.4173.4-88.2-63.8-77.900113.6D2201 R2205 L2206 L2207 F2254 W2258D2201-M2203 PolarHBondContact O-N 3.25Å; M2203-R2205 VanDerWaalsContact C-N 3.34Å; M2203-L2206 PolarHBondContact O-N 3.03Å; M2203-L2207 WeakPolarHBondContact O-CB 3.42Å; M2203-L2207 PolarHBondContact O-N 2.86Å; M2203-F2254 HydrophobicContact CG-CD1 4.5Å; M2203-F2254 HydrophobicContact CG-CE1 3.38Å; M2203-F2254 HydrophobicContact CG-CZ 3.69Å; M2203-F2254 HydrophobicContact SD-CD1 3.91Å; M2203-F2254 HydrophobicContact SD-CE1 3.24Å; M2203-F2254 WeakPolarHBondContact SD-CE1 3.38Å; M2203-F2254 HydrophobicContact SD-CZ 3.73Å; M2203-W2258 HydrophobicContact CE-CH2 3.81Å; M2203-W2258 HydrophobicContact CE-CZ3 4.02Å; M2203-W2258 HydrophobicContact SD-CH2 4.08Å; M2203-W2258 HydrophobicContact SD-CZ3 3.71Å
2204E75.2Confident76.3Confident4 Ų432.9 Ų32.92%0.01917%0.167CC..Hα-helixtrans-65.3-44.9-178-61.8178.2156.400109.7E2200 D2201 L2206 L2207 R2208 I2346 V2353 K2355E2200-E2204 VanDerWaalsContact CA-OE2 3.29Å; E2200-E2204 WeakPolarHBondContact CA-OE2 3.26Å; E2200-E2204 HydrophobicContact CB-CB 4.26Å; D2201-E2204 HydrophobicContact CB-CG 4.14Å; D2201-E2204 PolarHBondContact N-OE2 3.33Å; D2201-E2204 PolarHBondContact O-N 3.16Å; E2204-L2206 PolarHBondContact O-N 3.27Å; E2204-L2207 PolarHBondContact O-N 2.79Å; E2204-R2208 PolarHBondContact O-N 3.04Å; E2204-I2346 WeakPolarHBondContact OE1-CD1 3.33Å; E2204-V2353 HydrophobicContact CB-CB 4.44Å; E2204-V2353 HydrophobicContact CB-CG1 4.19Å; E2204-V2353 HydrophobicContact CG-CG1 4.04Å; E2204-K2355 IonicContact OE2-NZ 3.05Å
2205R76.9Confident76Confident105 Ų10533.8 Ų33.840%0.39617%0.17SC..Hα-helixtrans-61.5-42.3176.2-167176.3-69.6140.10.4112.1E2200 D2201 M2203 R2208 Q2209E2200-R2205 IonicContact OE2-NE 3.14Å; D2201-R2205 PolarHBondContact O-N 2.99Å; M2203-R2205 VanDerWaalsContact C-N 3.34Å; R2205-R2208 PolarHBondContact O-N 2.81Å; R2205-Q2209 VanDerWaalsContact O-CG 3.24Å; R2205-Q2209 WeakPolarHBondContact O-CG 3.48Å; R2205-Q2209 PolarHBondContact O-N 3.39Å
2206L79.8Confident75.9Confident0 Ų032.3 Ų32.30%016%0.161CC..Hα-helixtrans-64.8-40.4178-167.6148.7000111.7S2202 M2203 E2204 Q2209 V2210 T2246 L2247 F2254 I2289S2202-L2206 VanDerWaalsContact O-CB 3.29Å; S2202-L2206 WeakPolarHBondContact O-CB 3.36Å; S2202-L2206 PolarHBondContact O-N 3.19Å; S2202-L2206 VanDerWaalsContact O-N 3.08Å; M2203-L2206 PolarHBondContact O-N 3.03Å; E2204-L2206 PolarHBondContact O-N 3.27Å; L2206-Q2209 PolarHBondContact O-N 3.18Å; L2206-V2210 HydrophobicContact CD2-CG2 4.27Å; L2206-V2210 VanDerWaalsContact O-CG2 3.25Å; L2206-V2210 WeakPolarHBondContact O-CG2 3.2Å; L2206-V2210 PolarHBondContact O-N 3.14Å; L2206-T2246 HydrophobicContact CD1-CG2 4.46Å; L2206-L2247 HydrophobicContact CD1-CD2 3.6Å; L2206-L2247 HydrophobicContact CD1-CG 3.71Å; L2206-F2254 HydrophobicContact CD1-CE2 4.25Å; L2206-I2289 HydrophobicContact CD2-CD1 3.69Å; L2206-I2289 HydrophobicContact CD2-CG1 4.32Å; L2206-I2289 HydrophobicContact CD2-CG2 3.99Å
2207L76.9Confident75.8Confident2 Ų230 Ų301%0.0115%0.15CC..Hα-helixtrans-67.5-40.2179.5-151.8135.3000111.9M2203 E2204 V2210 Y2211 I2289 W2293 V2353M2203-L2207 WeakPolarHBondContact O-CB 3.42Å; M2203-L2207 PolarHBondContact O-N 2.86Å; E2204-L2207 PolarHBondContact O-N 2.79Å; L2207-V2210 PolarHBondContact O-N 3.41Å; L2207-Y2211 HydrophobicContact CD2-CD2 3.84Å; L2207-Y2211 HydrophobicContact CD2-CE2 3.2Å; L2207-Y2211 HydrophobicContact CG-CE2 4.28Å; L2207-Y2211 WeakPolarHBondContact O-CD2 3.41Å; L2207-Y2211 PolarHBondContact O-N 3.44Å; L2207-Y2211 VanDerWaalsContact O-N 3.12Å; L2207-I2289 HydrophobicContact CD1-CG2 3.89Å; L2207-I2289 HydrophobicContact CG-CG2 4.21Å; L2207-W2293 HydrophobicContact CD1-CB 3.4Å; L2207-W2293 HydrophobicContact CD1-CD2 4.3Å; L2207-W2293 HydrophobicContact CD1-CG 3.48Å; L2207-W2293 VanDerWaalsContact CD1-CG 3.48Å; L2207-V2353 HydrophobicContact CD2-CG2 4.03Å
2208R76.3Confident75.8Confident69 Ų6930.7 Ų30.726%0.2615%0.153SC..Hα-helixtrans-61.6-50.3171.8-177.21756382.1-8.3111.7E2200 E2204 R2205 V2210 Y2211 D2212E2200-R2208 IonicContact OE1-NE 3.9Å; E2200-R2208 IonicContact OE2-NE 2.97Å; E2200-R2208 IonicContact OE2-NH2 3.1Å; E2204-R2208 PolarHBondContact O-N 3.04Å; R2205-R2208 PolarHBondContact O-N 2.81Å; R2208-V2210 PolarHBondContact O-N 3.19Å; R2208-Y2211 PolarHBondContact O-N 2.84Å; R2208-Y2211 VanDerWaalsContact O-N 3.09Å; R2208-D2212 IonicContact NH1-OD2 2.66Å; R2208-D2212 PolarHBondContact NH1-OD2 3.3Å; R2208-D2212 VanDerWaalsContact O-CG 3.28Å; R2208-D2212 PolarHBondContact O-N 2.96Å
2209Q78.6Confident75.6Confident19 Ų1932.4 Ų32.49%0.08916%0.16CC..Hα-helixtrans-58.1-36.7178.7-72171.7-5.900112.6R2205 L2206 L2213 I2239 S2242 V2243 T2246R2205-Q2209 VanDerWaalsContact O-CG 3.24Å; R2205-Q2209 WeakPolarHBondContact O-CG 3.48Å; R2205-Q2209 PolarHBondContact O-N 3.39Å; L2206-Q2209 PolarHBondContact O-N 3.18Å; Q2209-L2213 VanDerWaalsContact O-CB 3.28Å; Q2209-L2213 WeakPolarHBondContact O-CB 3.3Å; Q2209-L2213 PolarHBondContact O-N 3.48Å; Q2209-I2239 WeakPolarHBondContact O-CG2 3.38Å; Q2209-S2242 PolarHBondContact NE2-OG 3.48Å; Q2209-V2243 HydrophobicContact CB-CG2 3.6Å; Q2209-T2246 PolarHBondContact OE1-OG1 3.34Å
2210V79.4Confident75.4Confident3 Ų328.7 Ų28.72%0.01814%0.142CC..Hα-helixtrans-70.9-37.1177.3170.50000111.8L2206 L2207 R2208 L2213 V2214 V2243 L2285 K2286 I2289L2206-V2210 HydrophobicContact CD2-CG2 4.27Å; L2206-V2210 VanDerWaalsContact O-CG2 3.25Å; L2206-V2210 WeakPolarHBondContact O-CG2 3.2Å; L2206-V2210 PolarHBondContact O-N 3.14Å; L2207-V2210 PolarHBondContact O-N 3.41Å; R2208-V2210 PolarHBondContact O-N 3.19Å; V2210-L2213 WeakPolarHBondContact O-CB 3.37Å; V2210-L2213 PolarHBondContact O-N 3.23Å; V2210-V2214 VanDerWaalsContact O-CG2 3.31Å; V2210-V2214 WeakPolarHBondContact O-CG2 3.43Å; V2210-V2214 PolarHBondContact O-N 3.4Å; V2210-V2243 HydrophobicContact CG2-CG1 4.22Å; V2210-V2243 HydrophobicContact CG2-CG2 4.33Å; V2210-L2285 HydrophobicContact CG1-CD2 4.5Å; V2210-L2285 HydrophobicContact CG2-CD2 4.35Å; V2210-K2286 HydrophobicContact CG1-CB 4.04Å; V2210-I2289 HydrophobicContact CG1-CD1 4.4Å; V2210-I2289 HydrophobicContact CG2-CD1 3.74Å
2211Y77.9Confident75.4Confident27 Ų2728 Ų2811%0.10614%0.141CC..Hα-helixtrans-66.2-46.2172.3-74.2-54000112.2L2207 R2208 L2213 V2214 E2215 K2286 T2290 N2351L2207-Y2211 HydrophobicContact CD2-CD2 3.84Å; L2207-Y2211 HydrophobicContact CD2-CE2 3.2Å; L2207-Y2211 HydrophobicContact CG-CE2 4.28Å; L2207-Y2211 WeakPolarHBondContact O-CD2 3.41Å; L2207-Y2211 PolarHBondContact O-N 3.44Å; L2207-Y2211 VanDerWaalsContact O-N 3.12Å; R2208-Y2211 PolarHBondContact O-N 2.84Å; R2208-Y2211 VanDerWaalsContact O-N 3.09Å; Y2211-L2213 PolarHBondContact O-N 2.95Å; Y2211-V2214 PolarHBondContact O-N 3.39Å; Y2211-V2214 VanDerWaalsContact O-N 3.13Å; Y2211-E2215 PolarHBondContact O-N 3.4Å; Y2211-K2286 HydrophobicContact CD1-CD 4.34Å; Y2211-K2286 HydrophobicContact CD1-CG 4.48Å; Y2211-K2286 HydrophobicContact CE1-CD 4.17Å; Y2211-K2286 HydrophobicContact CE1-CG 4.16Å; Y2211-T2290 HydrophobicContact CE1-CG2 4.24Å; Y2211-T2290 VanDerWaalsContact OH-CG2 3.26Å; Y2211-T2290 WeakPolarHBondContact OH-CG2 3.34Å; Y2211-N2351 HydrophobicContact CD1-CB 4.03Å; Y2211-N2351 HydrophobicContact CD2-CB 3.87Å; Y2211-N2351 WeakPolarHBondContact CD2-O 3.39Å; Y2211-N2351 HydrophobicContact CE2-CB 4.33Å; Y2211-N2351 WeakPolarHBondContact CE2-O 3.27Å; Y2211-N2351 HydrophobicContact CG-CB 3.67Å
2212D74.6Confident75.1Confident53 Ų5328.6 Ų28.628%0.28314%0.141SC..Hα-helixtrans-57.4-38.9176-63.4-16.9000110.7R2208 C2216R2208-D2212 IonicContact NH1-OD2 2.66Å; R2208-D2212 PolarHBondContact NH1-OD2 3.3Å; R2208-D2212 VanDerWaalsContact O-CG 3.28Å; R2208-D2212 PolarHBondContact O-N 2.96Å; D2212-C2216 WeakPolarHBondContact O-CB 3.5Å; D2212-C2216 PolarHBondContact O-N 3.29Å; D2212-C2216 PolarHBondContact O-SG 3.4Å
2213L80.8Confident74.6Confident1 Ų128.9 Ų28.91%0.00514%0.139CC..Hα-helixtrans-62.8-49.9175.3-175.977000111.8Q2209 V2210 Y2211 E2215 C2216 I2217 V2236 I2239 L2240 L2265 L2285Q2209-L2213 VanDerWaalsContact O-CB 3.28Å; Q2209-L2213 WeakPolarHBondContact O-CB 3.3Å; Q2209-L2213 PolarHBondContact O-N 3.48Å; V2210-L2213 WeakPolarHBondContact O-CB 3.37Å; V2210-L2213 PolarHBondContact O-N 3.23Å; Y2211-L2213 PolarHBondContact O-N 2.95Å; L2213-E2215 VanDerWaalsContact C-N 3.33Å; L2213-E2215 PolarHBondContact O-N 2.78Å; L2213-C2216 PolarHBondContact O-N 3.2Å; L2213-I2217 HydrophobicContact CD1-CD1 4.42Å; L2213-I2217 HydrophobicContact CD2-CD1 4.44Å; L2213-I2217 HydrophobicContact CG-CD1 3.92Å; L2213-I2217 WeakPolarHBondContact O-CB 3.46Å; L2213-I2217 WeakPolarHBondContact O-CG1 3.44Å; L2213-I2217 PolarHBondContact O-N 3.21Å; L2213-V2236 HydrophobicContact CD1-CG1 4.07Å; L2213-I2239 HydrophobicContact CB-CG2 3.93Å; L2213-I2239 HydrophobicContact CD1-CB 4.15Å; L2213-I2239 HydrophobicContact CD1-CG2 4.04Å; L2213-L2240 HydrophobicContact CD1-CB 3.92Å; L2213-L2240 HydrophobicContact CD1-CD1 4.11Å; L2213-L2240 HydrophobicContact CD1-CG 4.37Å; L2213-L2240 HydrophobicContact CD2-CD1 4.23Å; L2213-L2265 HydrophobicContact CD2-CD2 3.93Å; L2213-L2285 HydrophobicContact CD2-CD2 4.48Å
2214V76.8Confident73.6Confident7 Ų732.8 Ų32.84%0.04216%0.157CC..Hα-helixtrans-63.5-41-178.9170.10000111V2210 Y2211 I2217 Y2218 A2282 K2286V2210-V2214 VanDerWaalsContact O-CG2 3.31Å; V2210-V2214 WeakPolarHBondContact O-CG2 3.43Å; V2210-V2214 PolarHBondContact O-N 3.4Å; Y2211-V2214 PolarHBondContact O-N 3.39Å; Y2211-V2214 VanDerWaalsContact O-N 3.13Å; V2214-I2217 PolarHBondContact O-N 3.14Å; V2214-Y2218 HydrophobicContact CG1-CD2 3.89Å; V2214-Y2218 HydrophobicContact CG1-CE2 3.37Å; V2214-Y2218 WeakPolarHBondContact O-CD2 3.36Å; V2214-Y2218 PolarHBondContact O-N 3.03Å; V2214-A2282 HydrophobicContact CG2-CB 4.16Å; V2214-K2286 HydrophobicContact CG1-CD 4.48Å; V2214-K2286 HydrophobicContact CG2-CB 4.19Å; V2214-K2286 HydrophobicContact CG2-CD 4.28Å
2215E73.7Confident72.5Confident61 Ų6135.5 Ų35.529%0.28517%0.169SC..Hα-helixtrans-66.4-45.8177.8-160.3174.3-172.200111.6Y2211 L2213 I2217 Y2218 D2219Y2211-E2215 PolarHBondContact O-N 3.4Å; L2213-E2215 VanDerWaalsContact C-N 3.33Å; L2213-E2215 PolarHBondContact O-N 2.78Å; E2215-I2217 VanDerWaalsContact C-N 3.28Å; E2215-I2217 PolarHBondContact O-N 3.04Å; E2215-Y2218 PolarHBondContact O-N 3.46Å; E2215-Y2218 VanDerWaalsContact O-N 3.13Å; E2215-D2219 PolarHBondContact O-N 3.1Å
2216C76.3Confident71Confident39 Ų3936 Ų3626%0.26418%0.18SC..Hα-helixtrans-58.5-38.1172.3-830000112.5D2212 L2213 A2220 V2236 I2239D2212-C2216 WeakPolarHBondContact O-CB 3.5Å; D2212-C2216 PolarHBondContact O-N 3.29Å; D2212-C2216 PolarHBondContact O-SG 3.4Å; L2213-C2216 PolarHBondContact O-N 3.2Å; C2216-A2220 WeakPolarHBondContact O-CB 3.22Å; C2216-A2220 PolarHBondContact O-N 3.39Å; C2216-V2236 HydrophobicContact CB-CG2 3.99Å; C2216-I2239 HydrophobicContact CB-CD1 4.47Å
2217I76Confident69.3Low10 Ų1044.7 Ų44.75%0.05123%0.226CC..Hα-helixtrans-66.1-41.7176.3-71.8167.5000110.7L2213 V2214 E2215 A2221 V2236 L2265 I2278 I2279 A2282L2213-I2217 HydrophobicContact CD1-CD1 4.42Å; L2213-I2217 HydrophobicContact CD2-CD1 4.44Å; L2213-I2217 HydrophobicContact CG-CD1 3.92Å; L2213-I2217 WeakPolarHBondContact O-CB 3.46Å; L2213-I2217 WeakPolarHBondContact O-CG1 3.44Å; L2213-I2217 PolarHBondContact O-N 3.21Å; V2214-I2217 PolarHBondContact O-N 3.14Å; E2215-I2217 VanDerWaalsContact C-N 3.28Å; E2215-I2217 PolarHBondContact O-N 3.04Å; I2217-A2221 WeakPolarHBondContact O-CB 2.99Å; I2217-A2221 PolarHBondContact O-N 2.58Å; I2217-V2236 HydrophobicContact CD1-CG1 4.44Å; I2217-V2236 HydrophobicContact CG1-CG1 3.95Å; I2217-V2236 HydrophobicContact CG1-CG2 4.34Å; I2217-L2265 HydrophobicContact CD1-CD2 4.03Å; I2217-I2278 HydrophobicContact CG2-CG2 3.95Å; I2217-I2279 HydrophobicContact CG2-CG1 4.17Å; I2217-A2282 HydrophobicContact CD1-CB 3.78Å
2218Y74.6Confident68Low16 Ų1647.6 Ų47.66%0.06325%0.247CC..Hα-helixtrans-64-43.4176.3-70.7-38.3000112.6V2214 E2215 A2221 F2222 I2279 D2450 V2453V2214-Y2218 HydrophobicContact CG1-CD2 3.89Å; V2214-Y2218 HydrophobicContact CG1-CE2 3.37Å; V2214-Y2218 WeakPolarHBondContact O-CD2 3.36Å; V2214-Y2218 PolarHBondContact O-N 3.03Å; E2215-Y2218 PolarHBondContact O-N 3.46Å; E2215-Y2218 VanDerWaalsContact O-N 3.13Å; Y2218-A2221 PolarHBondContact O-N 2.78Å; Y2218-F2222 PolarHBondContact O-N 3.34Å; Y2218-I2279 HydrophobicContact CD1-CD1 4.11Å; Y2218-I2279 HydrophobicContact CD1-CG1 4.17Å; Y2218-I2279 HydrophobicContact CD1-CG2 4.39Å; Y2218-I2279 HydrophobicContact CE1-CB 4.44Å; Y2218-I2279 HydrophobicContact CE1-CD1 4.23Å; Y2218-I2279 HydrophobicContact CE1-CG1 4.14Å; Y2218-I2279 HydrophobicContact CE1-CG2 3.54Å; Y2218-D2450 PolarHBondContact OH-OD1 3.07Å; Y2218-D2450 VanDerWaalsContact OH-OD1 3.13Å; Y2218-V2453 HydrophobicContact CD1-CG1 3.94Å; Y2218-V2453 HydrophobicContact CE1-CB 4.31Å; Y2218-V2453 HydrophobicContact CE1-CG1 3.62Å
2219D69.9Low66.6Low45 Ų4547.3 Ų47.324%0.24125%0.25CC..Hα-helixtrans-68.3-43179.2-75.4-15.3000111.8E2215 A2221 F2222 L2223 N2671E2215-D2219 PolarHBondContact O-N 3.1Å; D2219-A2221 VanDerWaalsContact C-N 3.3Å; D2219-A2221 PolarHBondContact O-N 3.22Å; D2219-F2222 PolarHBondContact O-N 3.14Å; D2219-L2223 WeakPolarHBondContact O-CB 3.46Å; D2219-L2223 PolarHBondContact O-N 3.25Å; D2219-N2671 PolarHBondContact OD1-ND2 3.14Å
2220A68.9Low65.5Low13 Ų1354.8 Ų54.811%0.10729%0.285CS..Hα-helixtrans-61.4-38173.700000112C2216 L2223 H2224 E2232C2216-A2220 WeakPolarHBondContact O-CB 3.22Å; C2216-A2220 PolarHBondContact O-N 3.39Å; A2220-L2223 PolarHBondContact O-N 2.94Å; A2220-H2224 WeakPolarHBondContact O-CB 3.05Å; A2220-H2224 PolarHBondContact O-N 3.18Å; A2220-E2232 HydrophobicContact CB-CB 4.44Å
2221A67.9Low64.4Low10 Ų1058.2 Ų58.28%0.08331%0.309CS..Hα-helixtrans-67.3-34.5176.200000113.2I2217 Y2218 D2219 H2224 V2275 I2279 Y2457I2217-A2221 WeakPolarHBondContact O-CB 2.99Å; I2217-A2221 PolarHBondContact O-N 2.58Å; Y2218-A2221 PolarHBondContact O-N 2.78Å; D2219-A2221 VanDerWaalsContact C-N 3.3Å; D2219-A2221 PolarHBondContact O-N 3.22Å; A2221-H2224 WeakPolarHBondContact O-CB 3.47Å; A2221-V2275 HydrophobicContact CB-CG1 3.55Å; A2221-I2279 HydrophobicContact CB-CD1 4.3Å; A2221-Y2457 HydrophobicContact CB-CE1 4.4Å
2222F67.7Low63.6Low56 Ų5659.9 Ų59.925%0.24632%0.318CS..Hα-helixtrans-74.8-39.3174.3-174.4-105.3000112.1Y2218 D2219 H2224 Y2457 N2671 P2672Y2218-F2222 PolarHBondContact O-N 3.34Å; D2219-F2222 PolarHBondContact O-N 3.14Å; F2222-H2224 VanDerWaalsContact C-N 3.31Å; F2222-H2224 PolarHBondContact O-N 2.9Å; F2222-Y2457 PolarHBondContact N-OH 3.32Å; F2222-N2671 HydrophobicContact CD1-CB 4.21Å; F2222-N2671 HydrophobicContact CD2-CB 4.49Å; F2222-N2671 HydrophobicContact CE1-CB 4.24Å; F2222-N2671 HydrophobicContact CG-CB 4.33Å; F2222-N2671 HydrophobicContact CZ-CB 4.39Å; F2222-P2672 VanDerWaalsContact CD2-CD 3.46Å; F2222-P2672 HydrophobicContact CD2-CG 4.36Å
2223L62.5Low63.2Low55 Ų5560.6 Ų60.629%0.28832%0.32SS..Hα-helixtrans-74-18176.9-78.8165.5000113.7D2219 A2220 Q2225 N2226 E2232D2219-L2223 WeakPolarHBondContact O-CB 3.46Å; D2219-L2223 PolarHBondContact O-N 3.25Å; A2220-L2223 PolarHBondContact O-N 2.94Å; L2223-Q2225 PolarHBondContact O-N 3.14Å; L2223-N2226 PolarHBondContact O-N 3.38Å; L2223-E2232 WeakPolarHBondContact CD1-OE1 3.41Å; L2223-E2232 WeakPolarHBondContact CD1-OE2 3.49Å
2224H54.6Low62.7Low93 Ų9364.6 Ų64.643%0.43135%0.345SS..THydrogen-bonded Turntrans-51.2-10.5179.2-131-66.9000115.3A2220 A2221 F2222 L2229A2220-H2224 WeakPolarHBondContact O-CB 3.05Å; A2220-H2224 PolarHBondContact O-N 3.18Å; A2221-H2224 WeakPolarHBondContact O-CB 3.47Å; F2222-H2224 VanDerWaalsContact C-N 3.31Å; F2222-H2224 PolarHBondContact O-N 2.9Å; H2224-L2229 HydrophobicContact CB-CD1 4.29Å; H2224-L2229 WeakPolarHBondContact ND1-CD1 3.48Å
2225Q53.1Low62.4Low62 Ų6268.6 Ų68.629%0.2937%0.366SS..THydrogen-bonded Turntrans-99.2-3.8175.9-70.5176-26.900115L2223 E2464 Y2470L2223-Q2225 PolarHBondContact O-N 3.14Å; Q2225-E2464 PolarHBondContact NE2-OE1 2.81Å; Q2225-Y2470 PolarHBondContact OE1-OH 3.27Å
2226N45.7Very low62.3Low116 Ų11665.9 Ų65.962%0.6235%0.354SS*.SBendtrans-127.7138.3173.9-67-42.8000109.9L2223 S2228L2223-N2226 PolarHBondContact O-N 3.38Å; N2226-S2228 VanDerWaalsContact C-N 3.25Å; N2226-S2228 PolarHBondContact O-N 3.16Å
2227D43.6Very low62.3Low182 Ų18267.7 Ų67.797%0.97336%0.357SS*.SBendtrans-58.327.4-162.3-66.3-39.5000119.9
2228S49.7Very low62.5Low63 Ų6370.4 Ų70.444%0.44138%0.377SS..  trans-113.545.6-177.263.50000115N2226N2226-S2228 VanDerWaalsContact C-N 3.25Å; N2226-S2228 PolarHBondContact O-N 3.16Å
2229L45.6Very low62.6Low62 Ų6271.2 Ų71.233%0.32538%0.382SS..Hα-helixtrans-74.8-31.8-170.9-147.588.4000115.3H2224 M2233H2224-L2229 HydrophobicContact CB-CD1 4.29Å; H2224-L2229 WeakPolarHBondContact ND1-CD1 3.48Å; L2229-M2233 HydrophobicContact CD2-CE 3.81Å; L2229-M2233 HydrophobicContact CD2-CG 4.48Å; L2229-M2233 HydrophobicContact CG-CG 4.31Å; L2229-M2233 WeakPolarHBondContact O-CB 3.43Å; L2229-M2233 PolarHBondContact O-N 3.39Å
2230E55.5Low62.9Low176 Ų17669.3 Ų69.382%0.82237%0.372SS*.Hα-helixtrans-71.3-36.3-166.5-73.8-175.4159.600113.6T2234E2230-T2234 WeakPolarHBondContact O-CG2 3.24Å; E2230-T2234 PolarHBondContact O-N 3.26Å; E2230-T2234 PolarHBondContact O-OG1 3.32Å; E2230-T2234 VanDerWaalsContact O-OG1 3.06Å
2231S57.4Low63.4Low76 Ų7671.6 Ų71.653%0.53139%0.387SS..Hα-helixtrans-75.6-31.9-175.762.30000113.8T2234S2231-T2234 VanDerWaalsContact C-OG1 3.27Å; S2231-T2234 WeakPolarHBondContact CA-OG1 3.42Å; S2231-T2234 PolarHBondContact O-OG1 3.26Å
2232E60.2Low63.9Low62 Ų6272.9 Ų72.929%0.2940%0.396SS..Hα-helixtrans-85.4-35.7-179.7-69-154.7170.100112.4A2220 L2223 T2234 N2235 V2236A2220-E2232 HydrophobicContact CB-CB 4.44Å; L2223-E2232 WeakPolarHBondContact CD1-OE1 3.41Å; L2223-E2232 WeakPolarHBondContact CD1-OE2 3.49Å; E2232-T2234 VanDerWaalsContact C-N 3.27Å; E2232-T2234 PolarHBondContact O-N 3.24Å; E2232-N2235 WeakPolarHBondContact O-CA 3.33Å; E2232-N2235 WeakPolarHBondContact O-CB 3.47Å; E2232-N2235 PolarHBondContact O-N 2.8Å; E2232-V2236 WeakPolarHBondContact O-CG2 3.41Å; E2232-V2236 PolarHBondContact O-N 3.04Å
2233M66.3Low64.2Low67 Ų6770.3 Ų70.333%0.3339%0.385SS..Hα-helixtrans-60.9-36.9171.6-78.5-114.1-88.800111.9L2229 N2235 V2236 F2237L2229-M2233 HydrophobicContact CD2-CE 3.81Å; L2229-M2233 HydrophobicContact CD2-CG 4.48Å; L2229-M2233 HydrophobicContact CG-CG 4.31Å; L2229-M2233 WeakPolarHBondContact O-CB 3.43Å; L2229-M2233 PolarHBondContact O-N 3.39Å; M2233-N2235 VanDerWaalsContact C-N 3.27Å; M2233-N2235 PolarHBondContact O-N 3.04Å; M2233-V2236 PolarHBondContact O-N 3.01Å; M2233-F2237 VanDerWaalsContact O-CD2 3.28Å; M2233-F2237 WeakPolarHBondContact O-CD2 3.38Å; M2233-F2237 PolarHBondContact O-N 2.74Å
2234T69.9Low64.8Low86 Ų8673.9 Ų73.953%0.52839%0.394SS..Hα-helixtrans-62.2-34.1172.242.90000113.1E2230 S2231 E2232 S2238E2230-T2234 WeakPolarHBondContact O-CG2 3.24Å; E2230-T2234 PolarHBondContact O-N 3.26Å; E2230-T2234 PolarHBondContact O-OG1 3.32Å; E2230-T2234 VanDerWaalsContact O-OG1 3.06Å; S2231-T2234 VanDerWaalsContact C-OG1 3.27Å; S2231-T2234 WeakPolarHBondContact CA-OG1 3.42Å; S2231-T2234 PolarHBondContact O-OG1 3.26Å; E2232-T2234 VanDerWaalsContact C-N 3.27Å; E2232-T2234 PolarHBondContact O-N 3.24Å; T2234-S2238 VanDerWaalsContact O-CB 3.25Å; T2234-S2238 WeakPolarHBondContact O-CB 3.46Å; T2234-S2238 PolarHBondContact O-N 3.23Å
2235N70.6Confident66Low90 Ų9076 Ų7648%0.48141%0.405SS..Hα-helixtrans-70.7-40.3175.1-73.2-17.6000111.4E2232 M2233 S2238 I2239E2232-N2235 WeakPolarHBondContact O-CA 3.33Å; E2232-N2235 WeakPolarHBondContact O-CB 3.47Å; E2232-N2235 PolarHBondContact O-N 2.8Å; M2233-N2235 VanDerWaalsContact C-N 3.27Å; M2233-N2235 PolarHBondContact O-N 3.04Å; N2235-S2238 WeakPolarHBondContact O-CB 3.48Å; N2235-S2238 PolarHBondContact O-N 2.82Å; N2235-I2239 VanDerWaalsContact O-CG1 3.26Å; N2235-I2239 WeakPolarHBondContact O-CG1 3.42Å; N2235-I2239 PolarHBondContact O-N 3.35Å
2236V71.6Confident66.9Low4 Ų474 Ų742%0.02440%0.396CS..Hα-helixtrans-59.6-49.61751760000110.8L2213 C2216 I2217 E2232 M2233 S2238 I2239 L2240 L2269L2213-V2236 HydrophobicContact CD1-CG1 4.07Å; C2216-V2236 HydrophobicContact CB-CG2 3.99Å; I2217-V2236 HydrophobicContact CD1-CG1 4.44Å; I2217-V2236 HydrophobicContact CG1-CG1 3.95Å; I2217-V2236 HydrophobicContact CG1-CG2 4.34Å; E2232-V2236 WeakPolarHBondContact O-CG2 3.41Å; E2232-V2236 PolarHBondContact O-N 3.04Å; M2233-V2236 PolarHBondContact O-N 3.01Å; V2236-S2238 PolarHBondContact O-N 3.24Å; V2236-I2239 PolarHBondContact O-N 3.3Å; V2236-L2240 VanDerWaalsContact O-CB 3.29Å; V2236-L2240 WeakPolarHBondContact O-CB 2.97Å; V2236-L2240 PolarHBondContact O-N 2.65Å; V2236-L2269 HydrophobicContact CG1-CD1 4.19Å
2237F77.7Confident68.2Low77 Ų7769 Ų6934%0.33837%0.37SS..Hα-helixtrans-64.3-37.6177.5-81.2-70.4000112.9M2233 L2240 S2241 E2266 L2269M2233-F2237 VanDerWaalsContact O-CD2 3.28Å; M2233-F2237 WeakPolarHBondContact O-CD2 3.38Å; M2233-F2237 PolarHBondContact O-N 2.74Å; F2237-L2240 PolarHBondContact O-N 3.05Å; F2237-S2241 WeakPolarHBondContact O-CB 3.4Å; F2237-S2241 PolarHBondContact O-N 2.75Å; F2237-E2266 HydrophobicContact CE1-CG 4.39Å; F2237-L2269 HydrophobicContact CZ-CB 4.25Å
2238S80.1Confident69.4Low67 Ų6763.7 Ų63.747%0.46935%0.351SS..Hα-helixtrans-58.4-52.4174.1166.70000111.5T2234 N2235 V2236 L2240 S2241 S2242T2234-S2238 VanDerWaalsContact O-CB 3.25Å; T2234-S2238 WeakPolarHBondContact O-CB 3.46Å; T2234-S2238 PolarHBondContact O-N 3.23Å; N2235-S2238 WeakPolarHBondContact O-CB 3.48Å; N2235-S2238 PolarHBondContact O-N 2.82Å; V2236-S2238 PolarHBondContact O-N 3.24Å; S2238-L2240 VanDerWaalsContact C-N 3.34Å; S2238-L2240 PolarHBondContact O-N 3.14Å; S2238-S2241 PolarHBondContact O-N 3.22Å; S2238-S2241 PolarHBondContact O-OG 3.37Å; S2238-S2242 PolarHBondContact O-N 2.93Å
2239I75.3Confident70.2Confident34 Ų3466.1 Ų66.117%0.17436%0.363CS..Hα-helixtrans-64.5-40.8-179.1-62.7164.1000110.4Q2209 L2213 C2216 N2235 V2236 S2241 S2242 V2243Q2209-I2239 WeakPolarHBondContact O-CG2 3.38Å; L2213-I2239 HydrophobicContact CB-CG2 3.93Å; L2213-I2239 HydrophobicContact CD1-CB 4.15Å; L2213-I2239 HydrophobicContact CD1-CG2 4.04Å; C2216-I2239 HydrophobicContact CB-CD1 4.47Å; N2235-I2239 VanDerWaalsContact O-CG1 3.26Å; N2235-I2239 WeakPolarHBondContact O-CG1 3.42Å; N2235-I2239 PolarHBondContact O-N 3.35Å; V2236-I2239 PolarHBondContact O-N 3.3Å; I2239-S2241 PolarHBondContact O-N 3.44Å; I2239-S2242 VanDerWaalsContact O-CB 3.32Å; I2239-S2242 WeakPolarHBondContact O-CB 2.92Å; I2239-S2242 PolarHBondContact O-N 2.9Å; I2239-V2243 WeakPolarHBondContact O-CG2 3.41Å; I2239-V2243 PolarHBondContact O-N 3.3Å
2240L77.5Confident70.9Confident4 Ų464.1 Ų64.12%0.02135%0.354CS..Hα-helixtrans-65.8-39179.1-156.6145.7000112.3L2213 V2236 F2237 S2238 S2242 V2243 R2244 L2265 E2266 L2269L2213-L2240 HydrophobicContact CD1-CB 3.92Å; L2213-L2240 HydrophobicContact CD1-CD1 4.11Å; L2213-L2240 HydrophobicContact CD1-CG 4.37Å; L2213-L2240 HydrophobicContact CD2-CD1 4.23Å; V2236-L2240 VanDerWaalsContact O-CB 3.29Å; V2236-L2240 WeakPolarHBondContact O-CB 2.97Å; V2236-L2240 PolarHBondContact O-N 2.65Å; F2237-L2240 PolarHBondContact O-N 3.05Å; S2238-L2240 VanDerWaalsContact C-N 3.34Å; S2238-L2240 PolarHBondContact O-N 3.14Å; L2240-S2242 VanDerWaalsContact C-N 3.31Å; L2240-S2242 PolarHBondContact O-N 3.02Å; L2240-V2243 PolarHBondContact O-N 3.37Å; L2240-R2244 PolarHBondContact O-N 3.08Å; L2240-L2265 HydrophobicContact CD1-CB 4.38Å; L2240-L2265 HydrophobicContact CD1-CD2 3.35Å; L2240-L2265 HydrophobicContact CD1-CG 4.31Å; L2240-E2266 HydrophobicContact CD2-CB 3.95Å; L2240-E2266 HydrophobicContact CD2-CG 3.89Å; L2240-L2269 HydrophobicContact CD1-CD1 3.72Å
2241S78.7Confident70.5Confident62 Ų6258.8 Ų58.843%0.43434%0.341SS..Hα-helixtrans-62.8-39.3172.779.20000111.9F2237 S2238 I2239 R2244 Q2245F2237-S2241 WeakPolarHBondContact O-CB 3.4Å; F2237-S2241 PolarHBondContact O-N 2.75Å; S2238-S2241 PolarHBondContact O-N 3.22Å; S2238-S2241 PolarHBondContact O-OG 3.37Å; I2239-S2241 PolarHBondContact O-N 3.44Å; S2241-R2244 PolarHBondContact O-N 2.88Å; S2241-Q2245 WeakPolarHBondContact O-CB 3.49Å; S2241-Q2245 PolarHBondContact O-N 3.08Å
2242S79.4Confident70.4Confident37 Ų3763.2 Ų63.226%0.25936%0.358SS..Hα-helixtrans-63.4-48174.1166.50000111.4Q2209 S2238 I2239 L2240 R2244 Q2245 T2246Q2209-S2242 PolarHBondContact NE2-OG 3.48Å; S2238-S2242 PolarHBondContact O-N 2.93Å; I2239-S2242 VanDerWaalsContact O-CB 3.32Å; I2239-S2242 WeakPolarHBondContact O-CB 2.92Å; I2239-S2242 PolarHBondContact O-N 2.9Å; L2240-S2242 VanDerWaalsContact C-N 3.31Å; L2240-S2242 PolarHBondContact O-N 3.02Å; S2242-R2244 VanDerWaalsContact C-N 3.27Å; S2242-R2244 PolarHBondContact O-N 2.72Å; S2242-Q2245 PolarHBondContact O-N 3.18Å; S2242-Q2245 VanDerWaalsContact O-N 3.13Å; S2242-T2246 PolarHBondContact O-N 3.09Å; S2242-T2246 PolarHBondContact O-OG1 2.73Å
2243V73.9Confident70.2Confident2 Ų266.5 Ų66.51%0.01238%0.378CS..Hα-helixtrans-54.8-45.6176.6171.10000110.9Q2209 V2210 I2239 L2240 T2246 L2247Q2209-V2243 HydrophobicContact CB-CG2 3.6Å; V2210-V2243 HydrophobicContact CG2-CG1 4.22Å; V2210-V2243 HydrophobicContact CG2-CG2 4.33Å; I2239-V2243 WeakPolarHBondContact O-CG2 3.41Å; I2239-V2243 PolarHBondContact O-N 3.3Å; L2240-V2243 PolarHBondContact O-N 3.37Å; V2243-T2246 PolarHBondContact O-N 3.5Å; V2243-L2247 HydrophobicContact CG1-CD1 4.05Å; V2243-L2247 WeakPolarHBondContact O-CG 3.41Å; V2243-L2247 PolarHBondContact O-N 3.23Å
2244R75.3Confident70.2Confident130 Ų13064.7 Ų64.749%0.49137%0.368SS..Hα-helixtrans-65.8-39.8178.8-173.2-179.8160.1164.3-0.8112.4L2240 S2241 S2242 T2246 L2247 A2248 E2266L2240-R2244 PolarHBondContact O-N 3.08Å; S2241-R2244 PolarHBondContact O-N 2.88Å; S2242-R2244 VanDerWaalsContact C-N 3.27Å; S2242-R2244 PolarHBondContact O-N 2.72Å; R2244-T2246 VanDerWaalsContact C-N 3.32Å; R2244-T2246 PolarHBondContact O-N 2.96Å; R2244-L2247 PolarHBondContact O-N 2.86Å; R2244-A2248 WeakPolarHBondContact O-CB 3.44Å; R2244-A2248 PolarHBondContact O-N 2.58Å; R2244-E2266 IonicContact NH1-OE2 2.88Å; R2244-E2266 PolarHBondContact NH1-OE2 2.81Å
2245Q78.1Confident70.1Confident138 Ų13862.9 Ų62.965%0.64536%0.358SS*.Hα-helixtrans-63.9-40176.6-152.5175.319.700111.1S2241 S2242 A2248 T2249S2241-Q2245 WeakPolarHBondContact O-CB 3.49Å; S2241-Q2245 PolarHBondContact O-N 3.08Å; S2242-Q2245 PolarHBondContact O-N 3.18Å; S2242-Q2245 VanDerWaalsContact O-N 3.13Å; Q2245-A2248 PolarHBondContact O-N 3.22Å; Q2245-T2249 WeakPolarHBondContact O-CG2 3.42Å; Q2245-T2249 PolarHBondContact O-N 3.02Å; Q2245-T2249 PolarHBondContact O-OG1 2.94Å
2246T72.2Confident69.9Low18 Ų1866.8 Ų66.811%0.1137%0.373CS..Hα-helixtrans-63.4-44.4174.6-36.80000111.6L2206 Q2209 S2242 V2243 R2244 A2248 T2249 S2250L2206-T2246 HydrophobicContact CD1-CG2 4.46Å; Q2209-T2246 PolarHBondContact OE1-OG1 3.34Å; S2242-T2246 PolarHBondContact O-N 3.09Å; S2242-T2246 PolarHBondContact O-OG1 2.73Å; V2243-T2246 PolarHBondContact O-N 3.5Å; R2244-T2246 VanDerWaalsContact C-N 3.32Å; R2244-T2246 PolarHBondContact O-N 2.96Å; T2246-A2248 PolarHBondContact O-N 3.19Å; T2246-T2249 PolarHBondContact O-OG1 3.19Å; T2246-T2249 VanDerWaalsContact O-OG1 3.05Å; T2246-S2250 PolarHBondContact O-OG 3.46Å
2247L73.3Confident69.8Low12 Ų1269.9 Ų69.96%0.06340%0.395CS..Hα-helixtrans-61.5-41.2174.7-76.4164000112.5L2206 V2243 R2244 F2254 W2258 A2262L2206-L2247 HydrophobicContact CD1-CD2 3.6Å; L2206-L2247 HydrophobicContact CD1-CG 3.71Å; V2243-L2247 HydrophobicContact CG1-CD1 4.05Å; V2243-L2247 WeakPolarHBondContact O-CG 3.41Å; V2243-L2247 PolarHBondContact O-N 3.23Å; R2244-L2247 PolarHBondContact O-N 2.86Å; L2247-F2254 HydrophobicContact CD2-CD2 4.32Å; L2247-W2258 HydrophobicContact CD2-CB 4.1Å; L2247-W2258 HydrophobicContact CD2-CE3 4.27Å; L2247-A2262 HydrophobicContact CD1-CB 4.31Å
2248A69.1Low69.7Low71 Ų7166.8 Ų66.859%0.58738%0.382SS*.Hα-helixtrans-72.7-36.4-177.400000113.5R2244 Q2245 T2246 S2250R2244-A2248 WeakPolarHBondContact O-CB 3.44Å; R2244-A2248 PolarHBondContact O-N 2.58Å; Q2245-A2248 PolarHBondContact O-N 3.22Å; T2246-A2248 PolarHBondContact O-N 3.19Å; A2248-S2250 PolarHBondContact O-N 3.22Å
2249T66Low69.2Low114 Ų11465.8 Ų65.870%0.69938%0.377SS*.Hα-helixtrans-71.4-11.9-179.1490000114.1Q2245 T2246Q2245-T2249 WeakPolarHBondContact O-CG2 3.42Å; Q2245-T2249 PolarHBondContact O-N 3.02Å; Q2245-T2249 PolarHBondContact O-OG1 2.94Å; T2246-T2249 PolarHBondContact O-OG1 3.19Å; T2246-T2249 VanDerWaalsContact O-OG1 3.05Å
2250S60.1Low69.1Low19 Ų1970.2 Ų70.213%0.13340%0.397CS..THydrogen-bonded Turntrans-133.936-175.346.20000112.8T2246 A2248 D2252 N2253 F2254T2246-S2250 PolarHBondContact O-OG 3.46Å; A2248-S2250 PolarHBondContact O-N 3.22Å; S2250-D2252 VanDerWaalsContact C-N 3.27Å; S2250-D2252 PolarHBondContact O-N 3.18Å; S2250-D2252 VanDerWaalsContact O-N 3.16Å; S2250-N2253 PolarHBondContact O-N 3.46Å; S2250-N2253 VanDerWaalsContact O-N 3.08Å; S2250-F2254 WeakPolarHBondContact OG-CD2 3.44Å; S2250-F2254 WeakPolarHBondContact OG-CE2 3.37Å
2251A48.7Very low68.6Low65 Ų6571.3 Ų71.354%0.53741%0.406SS..G310 helixtrans-56.5-30.6-17200000115.1N2253A2251-N2253 PolarHBondContact O-N 2.93Å
2252D53.8Low68.3Low168 Ų16868.6 Ų68.690%0.89839%0.388SS*.G310 helixtrans-69.5-16.7179.9-65.3-22.3000113.5S2250S2250-D2252 VanDerWaalsContact C-N 3.27Å; S2250-D2252 PolarHBondContact O-N 3.18Å; S2250-D2252 VanDerWaalsContact O-N 3.16Å
2253N57.1Low68.1Low131 Ų13169 Ų6970%0.70139%0.39SS*.G310 helixtrans-107.3-9.7-172.6-72.6-34000114.5S2250 A2251S2250-N2253 PolarHBondContact O-N 3.46Å; S2250-N2253 VanDerWaalsContact O-N 3.08Å; A2251-N2253 PolarHBondContact O-N 2.93Å
2254F65.4Low68Low29 Ų2973.1 Ų73.113%0.12741%0.412CS..SBendtrans-122.9144.7-171.8-61.1-41.2000113.4M2203 L2206 L2247 S2250 E2256 W2258M2203-F2254 HydrophobicContact CG-CD1 4.5Å; M2203-F2254 HydrophobicContact CG-CE1 3.38Å; M2203-F2254 HydrophobicContact CG-CZ 3.69Å; M2203-F2254 HydrophobicContact SD-CD1 3.91Å; M2203-F2254 HydrophobicContact SD-CE1 3.24Å; M2203-F2254 WeakPolarHBondContact SD-CE1 3.38Å; M2203-F2254 HydrophobicContact SD-CZ 3.73Å; L2206-F2254 HydrophobicContact CD1-CE2 4.25Å; L2247-F2254 HydrophobicContact CD2-CD2 4.32Å; S2250-F2254 WeakPolarHBondContact OG-CD2 3.44Å; S2250-F2254 WeakPolarHBondContact OG-CE2 3.37Å; F2254-E2256 PolarHBondContact O-N 2.88Å; F2254-W2258 HydrophobicContact CB-CE3 4.22Å; F2254-W2258 HydrophobicContact CB-CZ3 4.38Å; F2254-W2258 HydrophobicContact CD1-CE3 4.42Å; F2254-W2258 AromaticContact CD1-CZ3 3.8Å; F2254-W2258 HydrophobicContact CD1-CZ3 3.8Å; F2254-W2258 HydrophobicContact CE1-CZ3 4.45Å; F2254-W2258 HydrophobicContact CG-CE3 4.41Å; F2254-W2258 HydrophobicContact CG-CZ3 4.23Å
2255P67.6Low67.9Low49 Ų4967 Ų6732%0.31839%0.389SS..  trans-62.6131.1176.1-16.929.3000111.5S2257 W2258P2255-S2257 PolarHBondContact O-N 2.68Å; P2255-W2258 HydrophobicContact CG-CD2 4.24Å; P2255-W2258 HydrophobicContact CG-CH2 4.49Å; P2255-W2258 HydrophobicContact CG-CZ2 4Å; P2255-W2258 PolarHBondContact O-N 3.23Å; P2255-W2258 VanDerWaalsContact O-N 3.07Å
2256E67.6Low67.6Low171 Ų17163 Ų6380%0.79937%0.371SS*.Hα-helixtrans-55-27.4176-74.1-173.915300112.9F2254 W2258 A2259 Q2260F2254-E2256 PolarHBondContact O-N 2.88Å; E2256-W2258 PolarHBondContact O-N 2.98Å; E2256-W2258 VanDerWaalsContact O-N 3.16Å; E2256-A2259 PolarHBondContact O-N 3.39Å; E2256-A2259 VanDerWaalsContact O-N 3.12Å; E2256-Q2260 PolarHBondContact O-N 3.26Å; E2256-Q2260 VanDerWaalsContact O-N 3.16Å
2257S68.9Low67.8Low70 Ų7066.3 Ų66.349%0.4939%0.39SS..Hα-helixtrans-58-27.6177.860.10000113.9P2255 A2261P2255-S2257 PolarHBondContact O-N 2.68Å; S2257-A2261 WeakPolarHBondContact O-CB 3.2Å; S2257-A2261 PolarHBondContact O-N 3.36Å
2258W75.1Confident67.6Low12 Ų1267.4 Ų67.45%0.04540%0.398CS..Hα-helixtrans-74.9-37.6177.8-63.1-3.7000112.2M2203 L2247 F2254 P2255 E2256 Q2260 A2261 A2262 I2289 H2292M2203-W2258 HydrophobicContact CE-CH2 3.81Å; M2203-W2258 HydrophobicContact CE-CZ3 4.02Å; M2203-W2258 HydrophobicContact SD-CH2 4.08Å; M2203-W2258 HydrophobicContact SD-CZ3 3.71Å; L2247-W2258 HydrophobicContact CD2-CB 4.1Å; L2247-W2258 HydrophobicContact CD2-CE3 4.27Å; F2254-W2258 HydrophobicContact CB-CE3 4.22Å; F2254-W2258 HydrophobicContact CB-CZ3 4.38Å; F2254-W2258 HydrophobicContact CD1-CE3 4.42Å; F2254-W2258 AromaticContact CD1-CZ3 3.8Å; F2254-W2258 HydrophobicContact CD1-CZ3 3.8Å; F2254-W2258 HydrophobicContact CE1-CZ3 4.45Å; F2254-W2258 HydrophobicContact CG-CE3 4.41Å; F2254-W2258 HydrophobicContact CG-CZ3 4.23Å; P2255-W2258 HydrophobicContact CG-CD2 4.24Å; P2255-W2258 HydrophobicContact CG-CH2 4.49Å; P2255-W2258 HydrophobicContact CG-CZ2 4Å; P2255-W2258 PolarHBondContact O-N 3.23Å; P2255-W2258 VanDerWaalsContact O-N 3.07Å; E2256-W2258 PolarHBondContact O-N 2.98Å; E2256-W2258 VanDerWaalsContact O-N 3.16Å; W2258-Q2260 VanDerWaalsContact C-N 3.28Å; W2258-A2261 PolarHBondContact O-N 3.2Å; W2258-A2262 PolarHBondContact O-N 2.9Å; W2258-I2289 HydrophobicContact CD2-CG1 4.06Å; W2258-I2289 HydrophobicContact CE3-CG1 4.25Å; W2258-I2289 HydrophobicContact CG-CG1 4.42Å; W2258-H2292 HydrophobicContact CH2-CB 3.89Å; W2258-H2292 AromaticContact CH2-CG 3.78Å; W2258-H2292 HydrophobicContact CZ2-CB 3.57Å; W2258-H2292 AromaticContact CZ2-CD2 3.84Å; W2258-H2292 AromaticContact CZ2-CG 3.65Å
2259A71Confident67.7Low45 Ų4565.1 Ų65.137%0.37238%0.376SS..Hα-helixtrans-67.1-34.7175.100000111.3E2256 C2263E2256-A2259 PolarHBondContact O-N 3.39Å; E2256-A2259 VanDerWaalsContact O-N 3.12Å; A2259-C2263 PolarHBondContact O-N 3.31Å; A2259-C2263 VanDerWaalsContact O-N 3.09Å; A2259-C2263 PolarHBondContact O-SG 3.19Å
2260Q72.4Confident67.7Low128 Ų12863.5 Ų63.560%0.59837%0.374SS*.Hα-helixtrans-67.9-47.3176-141.4157.5500111.5E2256 W2258 A2262 C2263 D2264E2256-Q2260 PolarHBondContact O-N 3.26Å; E2256-Q2260 VanDerWaalsContact O-N 3.16Å; W2258-Q2260 VanDerWaalsContact C-N 3.28Å; Q2260-A2262 VanDerWaalsContact C-N 3.3Å; Q2260-A2262 PolarHBondContact O-N 2.9Å; Q2260-C2263 WeakPolarHBondContact O-CB 3.47Å; Q2260-C2263 PolarHBondContact O-N 3.44Å; Q2260-C2263 VanDerWaalsContact O-N 3.11Å; Q2260-D2264 VanDerWaalsContact O-CG 3.28Å; Q2260-D2264 PolarHBondContact O-N 3.22Å
2261A68Low67.8Low26 Ų2666.5 Ų66.522%0.21540%0.395CS..Hα-helixtrans-61.5-3517500000113.4S2257 W2258 D2264 L2265 L2285S2257-A2261 WeakPolarHBondContact O-CB 3.2Å; S2257-A2261 PolarHBondContact O-N 3.36Å; W2258-A2261 PolarHBondContact O-N 3.2Å; A2261-D2264 PolarHBondContact O-N 2.69Å; A2261-L2265 PolarHBondContact O-N 2.83Å; A2261-L2265 VanDerWaalsContact O-N 3.08Å; A2261-L2285 HydrophobicContact CB-CD1 3.7Å
2262A70.9Confident68Low5 Ų568 Ų684%0.04141%0.407CS..Hα-helixtrans-68.1-38.4174.200000112.3L2247 W2258 Q2260 L2265 E2266 L2285L2247-A2262 HydrophobicContact CD1-CB 4.31Å; W2258-A2262 PolarHBondContact O-N 2.9Å; Q2260-A2262 VanDerWaalsContact C-N 3.3Å; Q2260-A2262 PolarHBondContact O-N 2.9Å; A2262-L2265 WeakPolarHBondContact O-CB 3.38Å; A2262-L2265 PolarHBondContact O-N 3.41Å; A2262-E2266 PolarHBondContact O-N 2.72Å; A2262-L2285 HydrophobicContact CB-CD1 4.35Å
2263C74.9Confident68Low46 Ų4661.2 Ų61.231%0.31138%0.377SS..Hα-helixtrans-66.6-41.6173.2-68.80000111.5A2259 Q2260 L2265 E2266 T2267A2259-C2263 PolarHBondContact O-N 3.31Å; A2259-C2263 VanDerWaalsContact O-N 3.09Å; A2259-C2263 PolarHBondContact O-SG 3.19Å; Q2260-C2263 WeakPolarHBondContact O-CB 3.47Å; Q2260-C2263 PolarHBondContact O-N 3.44Å; Q2260-C2263 VanDerWaalsContact O-N 3.11Å; C2263-L2265 VanDerWaalsContact C-N 3.27Å; C2263-L2265 PolarHBondContact O-N 2.94Å; C2263-E2266 WeakPolarHBondContact O-CB 3.31Å; C2263-E2266 PolarHBondContact O-N 3.03Å; C2263-E2266 VanDerWaalsContact O-N 3.1Å; C2263-T2267 WeakPolarHBondContact O-CG2 3.05Å; C2263-T2267 PolarHBondContact O-N 3.26Å
2264D73.4Confident68.4Low89 Ų8959.5 Ų59.548%0.47637%0.368SS..Hα-helixtrans-57.9-42.6176.2-67.6-22.2000110.4Q2260 A2261 E2266 T2267 V2268Q2260-D2264 VanDerWaalsContact O-CG 3.28Å; Q2260-D2264 PolarHBondContact O-N 3.22Å; A2261-D2264 PolarHBondContact O-N 2.69Å; D2264-E2266 VanDerWaalsContact C-N 3.34Å; D2264-E2266 PolarHBondContact O-N 3.38Å; D2264-T2267 PolarHBondContact O-N 3.5Å; D2264-T2267 PolarHBondContact O-OG1 3.37Å; D2264-V2268 VanDerWaalsContact O-CG2 3.29Å; D2264-V2268 WeakPolarHBondContact O-CG2 3.26Å; D2264-V2268 PolarHBondContact O-N 3.32Å
2265L72.7Confident68.5Low1 Ų159.9 Ų59.91%0.00537%0.372CS..Hα-helixtrans-57.8-45.6174.1-153.393000112.7L2213 I2217 L2240 A2261 A2262 C2263 T2267 V2268 L2269 A2281 A2282L2213-L2265 HydrophobicContact CD2-CD2 3.93Å; I2217-L2265 HydrophobicContact CD1-CD2 4.03Å; L2240-L2265 HydrophobicContact CD1-CB 4.38Å; L2240-L2265 HydrophobicContact CD1-CD2 3.35Å; L2240-L2265 HydrophobicContact CD1-CG 4.31Å; A2261-L2265 PolarHBondContact O-N 2.83Å; A2261-L2265 VanDerWaalsContact O-N 3.08Å; A2262-L2265 WeakPolarHBondContact O-CB 3.38Å; A2262-L2265 PolarHBondContact O-N 3.41Å; C2263-L2265 VanDerWaalsContact C-N 3.27Å; C2263-L2265 PolarHBondContact O-N 2.94Å; L2265-T2267 VanDerWaalsContact C-N 3.32Å; L2265-T2267 PolarHBondContact O-N 3.29Å; L2265-V2268 PolarHBondContact O-N 3.18Å; L2265-L2269 HydrophobicContact CD2-CD1 3.94Å; L2265-L2269 HydrophobicContact CG-CD1 4.21Å; L2265-L2269 WeakPolarHBondContact O-CB 3.21Å; L2265-L2269 WeakPolarHBondContact O-CG 3.26Å; L2265-L2269 PolarHBondContact O-N 3.46Å; L2265-A2281 HydrophobicContact CD1-CB 3.53Å; L2265-A2282 HydrophobicContact CD1-CB 3.81Å; L2265-A2282 HydrophobicContact CD2-CB 4.5Å
2266E72.4Confident68.6Low55 Ų5558.4 Ų58.426%0.25736%0.363SS..Hα-helixtrans-63.9-39.2-179.5-154.4171.9-152.100110.9F2237 L2240 R2244 A2262 C2263 D2264 A2270F2237-E2266 HydrophobicContact CE1-CG 4.39Å; L2240-E2266 HydrophobicContact CD2-CB 3.95Å; L2240-E2266 HydrophobicContact CD2-CG 3.89Å; R2244-E2266 IonicContact NH1-OE2 2.88Å; R2244-E2266 PolarHBondContact NH1-OE2 2.81Å; A2262-E2266 PolarHBondContact O-N 2.72Å; C2263-E2266 WeakPolarHBondContact O-CB 3.31Å; C2263-E2266 PolarHBondContact O-N 3.03Å; C2263-E2266 VanDerWaalsContact O-N 3.1Å; D2264-E2266 VanDerWaalsContact C-N 3.34Å; D2264-E2266 PolarHBondContact O-N 3.38Å; E2266-A2270 VanDerWaalsContact O-CB 3.28Å; E2266-A2270 WeakPolarHBondContact O-CB 3.41Å; E2266-A2270 PolarHBondContact O-N 3Å
2267T75.1Confident68.8Low86 Ų8652.4 Ų52.453%0.52834%0.34SS..Hα-helixtrans-67.6-40.9174.963.40000112.8C2263 D2264 L2265 A2270 S2271C2263-T2267 WeakPolarHBondContact O-CG2 3.05Å; C2263-T2267 PolarHBondContact O-N 3.26Å; D2264-T2267 PolarHBondContact O-N 3.5Å; D2264-T2267 PolarHBondContact O-OG1 3.37Å; L2265-T2267 VanDerWaalsContact C-N 3.32Å; L2265-T2267 PolarHBondContact O-N 3.29Å; T2267-A2270 PolarHBondContact O-N 3.1Å; T2267-S2271 VanDerWaalsContact O-CB 3.31Å; T2267-S2271 WeakPolarHBondContact O-CB 3.4Å; T2267-S2271 PolarHBondContact O-N 2.92Å; T2267-S2271 PolarHBondContact O-OG 3.35Å
2268V70.5Confident68.9Low36 Ų3650.2 Ų50.222%0.21832%0.323CS..Hα-helixtrans-65.8-44.1177.4176.10000110.2D2264 L2265 A2270 S2271 I2278D2264-V2268 VanDerWaalsContact O-CG2 3.29Å; D2264-V2268 WeakPolarHBondContact O-CG2 3.26Å; D2264-V2268 PolarHBondContact O-N 3.32Å; L2265-V2268 PolarHBondContact O-N 3.18Å; V2268-A2270 PolarHBondContact O-N 2.96Å; V2268-S2271 PolarHBondContact O-N 3.21Å; V2268-S2271 PolarHBondContact O-OG 2.96Å; V2268-I2278 HydrophobicContact CG1-CG1 3.87Å
2269L70.2Confident68.8Low23 Ų2349.7 Ų49.712%0.1232%0.321CS..Hα-helixtrans-59.7-42173.9-80.5163.2000112.4V2236 F2237 L2240 L2265 S2271 I2278V2236-L2269 HydrophobicContact CG1-CD1 4.19Å; F2237-L2269 HydrophobicContact CZ-CB 4.25Å; L2240-L2269 HydrophobicContact CD1-CD1 3.72Å; L2265-L2269 HydrophobicContact CD2-CD1 3.94Å; L2265-L2269 HydrophobicContact CG-CD1 4.21Å; L2265-L2269 WeakPolarHBondContact O-CB 3.21Å; L2265-L2269 WeakPolarHBondContact O-CG 3.26Å; L2265-L2269 PolarHBondContact O-N 3.46Å; L2269-S2271 VanDerWaalsContact C-N 3.33Å; L2269-S2271 PolarHBondContact O-N 3.29Å; L2269-I2278 HydrophobicContact CD2-CD1 4.32Å; L2269-I2278 HydrophobicContact CD2-CG2 3.71Å; L2269-I2278 HydrophobicContact CG-CG2 4.21Å
2270A66.3Low69Low80 Ų8052.8 Ų52.866%0.66133%0.327SS*.Hα-helixtrans-72.5-23.6178.800000113.7E2266 T2267 V2268E2266-A2270 VanDerWaalsContact O-CB 3.28Å; E2266-A2270 WeakPolarHBondContact O-CB 3.41Å; E2266-A2270 PolarHBondContact O-N 3Å; T2267-A2270 PolarHBondContact O-N 3.1Å; V2268-A2270 PolarHBondContact O-N 2.96Å
2271S61Low69.1Low81 Ų8147.9 Ų47.957%0.56631%0.309SS*.THydrogen-bonded Turntrans-85.50.2-175.169.60000115.6T2267 V2268 L2269 G2273T2267-S2271 VanDerWaalsContact O-CB 3.31Å; T2267-S2271 WeakPolarHBondContact O-CB 3.4Å; T2267-S2271 PolarHBondContact O-N 2.92Å; T2267-S2271 PolarHBondContact O-OG 3.35Å; V2268-S2271 PolarHBondContact O-N 3.21Å; V2268-S2271 PolarHBondContact O-OG 2.96Å; L2269-S2271 VanDerWaalsContact C-N 3.33Å; L2269-S2271 PolarHBondContact O-N 3.29Å; S2271-G2273 VanDerWaalsContact C-N 3.34Å
2272A54.4Low69.5Low98 Ų9846.7 Ų46.781%0.8130%0.299SS*.THydrogen-bonded Turntrans54.145.7-170.400000113.1
2273G53.9Low69.7Low25 Ų2547 Ų4726%0.25830%0.3SS..  trans-70.3157.3175.300000113.5S2271S2271-G2273 VanDerWaalsContact C-N 3.34Å
2274N64.6Low69.9Low95 Ų9548.2 Ų48.251%0.50831%0.306SS..  trans-49.1141.7174.7-79.3-6.9000111.3S2276 S2277 I2278N2274-S2276 PolarHBondContact O-N 3.46Å; N2274-S2277 PolarHBondContact N-OG 3.3Å; N2274-S2277 WeakPolarHBondContact O-CB 3.17Å; N2274-S2277 PolarHBondContact O-N 3.16Å; N2274-S2277 PolarHBondContact O-OG 3.17Å; N2274-I2278 PolarHBondContact O-N 3.34Å
2275V68.3Low70.2Confident36 Ų3644.1 Ų44.122%0.21828%0.284CS..Hα-helixtrans-56.5-37.1-177.8176.50000111.2A2221 S2277 I2278 I2279 Y2457 E2461A2221-V2275 HydrophobicContact CB-CG1 3.55Å; V2275-S2277 VanDerWaalsContact C-N 3.34Å; V2275-S2277 PolarHBondContact O-N 2.7Å; V2275-I2278 PolarHBondContact O-N 3.45Å; V2275-I2279 HydrophobicContact CG1-CD1 3.92Å; V2275-I2279 WeakPolarHBondContact O-CG1 3.44Å; V2275-I2279 PolarHBondContact O-N 3.1Å; V2275-I2279 VanDerWaalsContact O-N 3.09Å; V2275-Y2457 HydrophobicContact CG1-CD1 4.27Å; V2275-E2461 PolarHBondContact N-OE1 3.1Å
2276S68.6Low70.6Confident18 Ų1845.5 Ų45.513%0.12629%0.29CS..Hα-helixtrans-57.4-40.817355.50000113.6N2274 H2280 E2461N2274-S2276 PolarHBondContact O-N 3.46Å; S2276-H2280 WeakPolarHBondContact O-CB 3.45Å; S2276-H2280 PolarHBondContact O-N 2.79Å; S2276-E2461 PolarHBondContact N-OE1 3.24Å; S2276-E2461 VanDerWaalsContact N-OE1 3.15Å; S2276-E2461 PolarHBondContact OG-OE1 3Å; S2276-E2461 PolarHBondContact OG-OE2 3.05Å
2277S71.3Confident70.7Confident46 Ų4645.8 Ų45.832%0.32229%0.294SS..Hα-helixtrans-72-35.1-179.866.40000113.3N2274 V2275 A2281N2274-S2277 PolarHBondContact N-OG 3.3Å; N2274-S2277 WeakPolarHBondContact O-CB 3.17Å; N2274-S2277 PolarHBondContact O-N 3.16Å; N2274-S2277 PolarHBondContact O-OG 3.17Å; V2275-S2277 VanDerWaalsContact C-N 3.34Å; V2275-S2277 PolarHBondContact O-N 2.7Å; S2277-A2281 WeakPolarHBondContact O-CB 3.09Å; S2277-A2281 PolarHBondContact O-N 2.92Å
2278I72.8Confident70.6Confident24 Ų2443.4 Ų43.412%0.12328%0.283CS..Hα-helixtrans-65.8-47.6175.1-64.2167.1000109.8I2217 V2268 L2269 N2274 V2275 A2281 A2282I2217-I2278 HydrophobicContact CG2-CG2 3.95Å; V2268-I2278 HydrophobicContact CG1-CG1 3.87Å; L2269-I2278 HydrophobicContact CD2-CD1 4.32Å; L2269-I2278 HydrophobicContact CD2-CG2 3.71Å; L2269-I2278 HydrophobicContact CG-CG2 4.21Å; N2274-I2278 PolarHBondContact O-N 3.34Å; V2275-I2278 PolarHBondContact O-N 3.45Å; I2278-A2281 PolarHBondContact O-N 2.88Å; I2278-A2282 PolarHBondContact O-N 2.65Å; I2278-A2282 VanDerWaalsContact O-N 3.09Å
2279I73.1Confident70.8Confident1 Ų141.8 Ų41.81%0.00527%0.273CS..Hα-helixtrans-61.6-46.8177.4-70.6171000110.6I2217 Y2218 A2221 V2275 A2281 A2282 V2283 V2454 Y2457I2217-I2279 HydrophobicContact CG2-CG1 4.17Å; Y2218-I2279 HydrophobicContact CD1-CD1 4.11Å; Y2218-I2279 HydrophobicContact CD1-CG1 4.17Å; Y2218-I2279 HydrophobicContact CD1-CG2 4.39Å; Y2218-I2279 HydrophobicContact CE1-CB 4.44Å; Y2218-I2279 HydrophobicContact CE1-CD1 4.23Å; Y2218-I2279 HydrophobicContact CE1-CG1 4.14Å; Y2218-I2279 HydrophobicContact CE1-CG2 3.54Å; A2221-I2279 HydrophobicContact CB-CD1 4.3Å; V2275-I2279 HydrophobicContact CG1-CD1 3.92Å; V2275-I2279 WeakPolarHBondContact O-CG1 3.44Å; V2275-I2279 PolarHBondContact O-N 3.1Å; V2275-I2279 VanDerWaalsContact O-N 3.09Å; I2279-A2281 PolarHBondContact O-N 3.17Å; I2279-A2282 PolarHBondContact O-N 3.46Å; I2279-A2282 VanDerWaalsContact O-N 3.16Å; I2279-V2283 HydrophobicContact CG2-CG2 4.2Å; I2279-V2283 VanDerWaalsContact O-CG2 3.29Å; I2279-V2283 WeakPolarHBondContact O-CG2 3.33Å; I2279-V2283 PolarHBondContact O-N 3.17Å; I2279-V2454 HydrophobicContact CG2-CG2 3.82Å; I2279-Y2457 HydrophobicContact CD1-CD2 3.58Å; I2279-Y2457 HydrophobicContact CD1-CE2 3.79Å; I2279-Y2457 HydrophobicContact CD1-CG 4.23Å
2280H74.9Confident70.9Confident109 Ų10941.4 Ų41.451%0.50527%0.271SS..Hα-helixtrans-59.7-45.7-179.5-173.8-74000111.6S2276 A2282 V2283 V2284S2276-H2280 WeakPolarHBondContact O-CB 3.45Å; S2276-H2280 PolarHBondContact O-N 2.79Å; H2280-A2282 VanDerWaalsContact C-N 3.3Å; H2280-A2282 PolarHBondContact O-N 3.5Å; H2280-V2283 PolarHBondContact O-N 3.27Å; H2280-V2284 VanDerWaalsContact O-CG2 3.32Å; H2280-V2284 WeakPolarHBondContact O-CG2 3.36Å; H2280-V2284 PolarHBondContact O-N 3.41Å
2281A74.8Confident71Confident26 Ų2640.1 Ų40.122%0.21526%0.255CS..Hα-helixtrans-63.2-36.2177.700000112.1L2265 S2277 I2278 I2279 V2284 L2285L2265-A2281 HydrophobicContact CD1-CB 3.53Å; S2277-A2281 WeakPolarHBondContact O-CB 3.09Å; S2277-A2281 PolarHBondContact O-N 2.92Å; I2278-A2281 PolarHBondContact O-N 2.88Å; I2279-A2281 PolarHBondContact O-N 3.17Å; A2281-V2284 PolarHBondContact O-N 3.45Å; A2281-L2285 PolarHBondContact O-N 2.82Å
2282A75.2Confident71.4Confident1 Ų140.4 Ų40.41%0.00825%0.248CC..Hα-helixtrans-69.3-39.7177.600000111.9V2214 I2217 L2265 I2278 I2279 H2280 L2285 K2286V2214-A2282 HydrophobicContact CG2-CB 4.16Å; I2217-A2282 HydrophobicContact CD1-CB 3.78Å; L2265-A2282 HydrophobicContact CD1-CB 3.81Å; L2265-A2282 HydrophobicContact CD2-CB 4.5Å; I2278-A2282 PolarHBondContact O-N 2.65Å; I2278-A2282 VanDerWaalsContact O-N 3.09Å; I2279-A2282 PolarHBondContact O-N 3.46Å; I2279-A2282 VanDerWaalsContact O-N 3.16Å; H2280-A2282 VanDerWaalsContact C-N 3.3Å; H2280-A2282 PolarHBondContact O-N 3.5Å; A2282-L2285 PolarHBondContact O-N 3.45Å; A2282-K2286 WeakPolarHBondContact O-CB 3.12Å; A2282-K2286 PolarHBondContact O-N 2.94Å
2283V76.3Confident72Confident11 Ų1137.2 Ų37.27%0.06722%0.215CC..Hα-helixtrans-66.8-37.8175.9171.80000111.4I2279 H2280 K2286 N2287 D2450I2279-V2283 HydrophobicContact CG2-CG2 4.2Å; I2279-V2283 VanDerWaalsContact O-CG2 3.29Å; I2279-V2283 WeakPolarHBondContact O-CG2 3.33Å; I2279-V2283 PolarHBondContact O-N 3.17Å; H2280-V2283 PolarHBondContact O-N 3.27Å; V2283-K2286 PolarHBondContact O-N 3.45Å; V2283-N2287 WeakPolarHBondContact CG1-ND2 3.43Å; V2283-N2287 VanDerWaalsContact O-CB 3.31Å; V2283-N2287 WeakPolarHBondContact O-CB 3.41Å; V2283-N2287 VanDerWaalsContact O-CG 3.24Å; V2283-N2287 PolarHBondContact O-N 3.34Å; V2283-N2287 PolarHBondContact O-ND2 3.21Å; V2283-D2450 HydrophobicContact CG1-CB 3.75Å; V2283-D2450 HydrophobicContact CG2-CB 3.88Å
2284V78.9Confident72.5Confident71 Ų7140 Ų4043%0.4322%0.221SC..Hα-helixtrans-61.6-46.2174.7170.60000111H2280 A2281 N2287 A2288H2280-V2284 VanDerWaalsContact O-CG2 3.32Å; H2280-V2284 WeakPolarHBondContact O-CG2 3.36Å; H2280-V2284 PolarHBondContact O-N 3.41Å; A2281-V2284 PolarHBondContact O-N 3.45Å; V2284-N2287 PolarHBondContact O-N 2.85Å; V2284-A2288 WeakPolarHBondContact O-CB 2.93Å; V2284-A2288 PolarHBondContact O-N 3.47Å
2285L80Confident72.2Confident4 Ų444.1 Ų44.12%0.02123%0.23CC..Hα-helixtrans-59-49.1175.5-174.477000111.1V2210 L2213 A2261 A2262 A2281 A2282 N2287 A2288 I2289V2210-L2285 HydrophobicContact CG1-CD2 4.5Å; V2210-L2285 HydrophobicContact CG2-CD2 4.35Å; L2213-L2285 HydrophobicContact CD2-CD2 4.48Å; A2261-L2285 HydrophobicContact CB-CD1 3.7Å; A2262-L2285 HydrophobicContact CB-CD1 4.35Å; A2281-L2285 PolarHBondContact O-N 2.82Å; A2282-L2285 PolarHBondContact O-N 3.45Å; L2285-N2287 PolarHBondContact O-N 2.98Å; L2285-A2288 PolarHBondContact O-N 3.29Å; L2285-I2289 HydrophobicContact CD1-CD1 4.19Å; L2285-I2289 HydrophobicContact CG-CD1 3.97Å; L2285-I2289 WeakPolarHBondContact O-CD1 3.43Å; L2285-I2289 WeakPolarHBondContact O-CG1 3.32Å; L2285-I2289 PolarHBondContact O-N 3.42Å
2286K80.6Confident71.9Confident29 Ų2949.2 Ų49.213%0.12625%0.245CC..Hα-helixtrans-56.3-47.9175.6170.5-172156.8-171.80111.9V2210 Y2211 V2214 A2282 V2283 I2289 T2290 D2450V2210-K2286 HydrophobicContact CG1-CB 4.04Å; Y2211-K2286 HydrophobicContact CD1-CD 4.34Å; Y2211-K2286 HydrophobicContact CD1-CG 4.48Å; Y2211-K2286 HydrophobicContact CE1-CD 4.17Å; Y2211-K2286 HydrophobicContact CE1-CG 4.16Å; V2214-K2286 HydrophobicContact CG1-CD 4.48Å; V2214-K2286 HydrophobicContact CG2-CB 4.19Å; V2214-K2286 HydrophobicContact CG2-CD 4.28Å; A2282-K2286 WeakPolarHBondContact O-CB 3.12Å; A2282-K2286 PolarHBondContact O-N 2.94Å; V2283-K2286 PolarHBondContact O-N 3.45Å; K2286-I2289 PolarHBondContact O-N 2.96Å; K2286-T2290 HydrophobicContact CG-CG2 4.29Å; K2286-T2290 WeakPolarHBondContact O-CB 3.49Å; K2286-T2290 VanDerWaalsContact O-CG2 3.28Å; K2286-T2290 WeakPolarHBondContact O-CG2 3.32Å; K2286-T2290 PolarHBondContact O-N 3.5Å; K2286-T2290 PolarHBondContact O-OG1 3.32Å; K2286-D2450 WeakPolarHBondContact CE-OD2 3.49Å; K2286-D2450 IonicContact NZ-OD1 4Å; K2286-D2450 PolarHBondContact NZ-OD1 3.13Å; K2286-D2450 IonicContact NZ-OD2 3.73Å; K2286-D2450 PolarHBondContact NZ-OD2 3.05Å
2287N74.4Confident71.2Confident62 Ų6253.3 Ų53.333%0.33227%0.265SS..Hα-helixtrans-67.5-39-177.5-74.6-19.4000112.2V2283 V2284 L2285 I2289 T2290 T2291V2283-N2287 WeakPolarHBondContact CG1-ND2 3.43Å; V2283-N2287 VanDerWaalsContact O-CB 3.31Å; V2283-N2287 WeakPolarHBondContact O-CB 3.41Å; V2283-N2287 VanDerWaalsContact O-CG 3.24Å; V2283-N2287 PolarHBondContact O-N 3.34Å; V2283-N2287 PolarHBondContact O-ND2 3.21Å; V2284-N2287 PolarHBondContact O-N 2.85Å; L2285-N2287 PolarHBondContact O-N 2.98Å; N2287-I2289 VanDerWaalsContact C-N 3.33Å; N2287-I2289 PolarHBondContact O-N 3.48Å; N2287-T2290 WeakPolarHBondContact CA-OG1 3.37Å; N2287-T2290 PolarHBondContact O-OG1 3.45Å; N2287-T2291 WeakPolarHBondContact O-CB 3.46Å; N2287-T2291 VanDerWaalsContact O-CG2 3.24Å; N2287-T2291 WeakPolarHBondContact O-CG2 3.47Å; N2287-T2291 PolarHBondContact O-N 3.23Å; N2287-T2291 PolarHBondContact O-OG1 3.31Å
2288A73.7Confident70.8Confident36 Ų3658.7 Ų58.730%0.29828%0.278SS..Hα-helixtrans-61.8-40.7175.900000112.2V2284 L2285 T2291V2284-A2288 WeakPolarHBondContact O-CB 2.93Å; V2284-A2288 PolarHBondContact O-N 3.47Å; L2285-A2288 PolarHBondContact O-N 3.29Å; A2288-T2291 PolarHBondContact O-OG1 2.8Å; A2288-T2291 VanDerWaalsContact O-OG1 3.04Å
2289I74Confident70.5Confident1 Ų161 Ų611%0.00530%0.297CS..Hα-helixtrans-77.9-43.4-178.5-65.2165.3000111.2L2206 L2207 V2210 W2258 L2285 K2286 N2287 H2292 W2293L2206-I2289 HydrophobicContact CD2-CD1 3.69Å; L2206-I2289 HydrophobicContact CD2-CG1 4.32Å; L2206-I2289 HydrophobicContact CD2-CG2 3.99Å; L2207-I2289 HydrophobicContact CD1-CG2 3.89Å; L2207-I2289 HydrophobicContact CG-CG2 4.21Å; V2210-I2289 HydrophobicContact CG1-CD1 4.4Å; V2210-I2289 HydrophobicContact CG2-CD1 3.74Å; W2258-I2289 HydrophobicContact CD2-CG1 4.06Å; W2258-I2289 HydrophobicContact CE3-CG1 4.25Å; W2258-I2289 HydrophobicContact CG-CG1 4.42Å; L2285-I2289 HydrophobicContact CD1-CD1 4.19Å; L2285-I2289 HydrophobicContact CG-CD1 3.97Å; L2285-I2289 WeakPolarHBondContact O-CD1 3.43Å; L2285-I2289 WeakPolarHBondContact O-CG1 3.32Å; L2285-I2289 PolarHBondContact O-N 3.42Å; K2286-I2289 PolarHBondContact O-N 2.96Å; N2287-I2289 VanDerWaalsContact C-N 3.33Å; N2287-I2289 PolarHBondContact O-N 3.48Å; I2289-H2292 PolarHBondContact O-N 3.02Å; I2289-W2293 PolarHBondContact O-N 3Å
2290T71.2Confident70.5Confident16 Ų1662.9 Ų62.910%0.09831%0.306CS..Hα-helixtrans-67.1-37-179.950.30000113Y2211 K2286 N2287 H2292 W2293 Q2294Y2211-T2290 HydrophobicContact CE1-CG2 4.24Å; Y2211-T2290 VanDerWaalsContact OH-CG2 3.26Å; Y2211-T2290 WeakPolarHBondContact OH-CG2 3.34Å; K2286-T2290 HydrophobicContact CG-CG2 4.29Å; K2286-T2290 WeakPolarHBondContact O-CB 3.49Å; K2286-T2290 VanDerWaalsContact O-CG2 3.28Å; K2286-T2290 WeakPolarHBondContact O-CG2 3.32Å; K2286-T2290 PolarHBondContact O-N 3.5Å; K2286-T2290 PolarHBondContact O-OG1 3.32Å; N2287-T2290 WeakPolarHBondContact CA-OG1 3.37Å; N2287-T2290 PolarHBondContact O-OG1 3.45Å; T2290-H2292 VanDerWaalsContact C-N 3.31Å; T2290-H2292 PolarHBondContact O-N 3.14Å; T2290-W2293 PolarHBondContact O-N 2.98Å; T2290-Q2294 WeakPolarHBondContact O-CG 3.04Å; T2290-Q2294 PolarHBondContact O-N 2.97Å
2291T68.5Low70.2Confident53 Ų5358.8 Ų58.833%0.32529%0.29SS..Hα-helixtrans-63.8-36.9174.248.90000112.2N2287 A2288N2287-T2291 WeakPolarHBondContact O-CB 3.46Å; N2287-T2291 VanDerWaalsContact O-CG2 3.24Å; N2287-T2291 WeakPolarHBondContact O-CG2 3.47Å; N2287-T2291 PolarHBondContact O-N 3.23Å; N2287-T2291 PolarHBondContact O-OG1 3.31Å; A2288-T2291 PolarHBondContact O-OG1 2.8Å; A2288-T2291 VanDerWaalsContact O-OG1 3.04Å
2292H70.2Confident70.1Confident87 Ų8757.7 Ų57.740%0.40328%0.28SS..Hα-helixtrans-69.4-38.4174.1-159.4-74.6000112W2258 I2289 T2290 R2295W2258-H2292 HydrophobicContact CH2-CB 3.89Å; W2258-H2292 AromaticContact CH2-CG 3.78Å; W2258-H2292 HydrophobicContact CZ2-CB 3.57Å; W2258-H2292 AromaticContact CZ2-CD2 3.84Å; W2258-H2292 AromaticContact CZ2-CG 3.65Å; I2289-H2292 PolarHBondContact O-N 3.02Å; T2290-H2292 VanDerWaalsContact C-N 3.31Å; T2290-H2292 PolarHBondContact O-N 3.14Å; H2292-R2295 PolarHBondContact O-N 2.93Å
2293W66.4Low69.7Low30 Ų3058.7 Ų58.711%0.11429%0.285CS..Hα-helixtrans-63.7-40.2174.9-178.287.2000112.6L2207 I2289 T2290 R2295 R2296 I2346 T2348L2207-W2293 HydrophobicContact CD1-CB 3.4Å; L2207-W2293 HydrophobicContact CD1-CD2 4.3Å; L2207-W2293 HydrophobicContact CD1-CG 3.48Å; L2207-W2293 VanDerWaalsContact CD1-CG 3.48Å; I2289-W2293 PolarHBondContact O-N 3Å; T2290-W2293 PolarHBondContact O-N 2.98Å; W2293-R2295 PolarHBondContact O-N 3.2Å; W2293-R2295 VanDerWaalsContact O-N 3.17Å; W2293-R2296 WeakPolarHBondContact O-CB 3.43Å; W2293-R2296 PolarHBondContact O-N 3.32Å; W2293-I2346 HydrophobicContact CZ2-CG2 4.15Å; W2293-T2348 HydrophobicContact CE3-CG2 4.37Å; W2293-T2348 HydrophobicContact CH2-CG2 3.4Å; W2293-T2348 VanDerWaalsContact CH2-CG2 3.4Å; W2293-T2348 HydrophobicContact CZ2-CG2 3.72Å; W2293-T2348 HydrophobicContact CZ3-CG2 3.75Å
2294Q64.4Low69.4Low85 Ų8561.6 Ų61.640%0.39730%0.3SS..Hα-helixtrans-62.9-21.8178.4-75.1-178.73.700114T2290 R2296T2290-Q2294 WeakPolarHBondContact O-CG 3.04Å; T2290-Q2294 PolarHBondContact O-N 2.97Å; Q2294-R2296 VanDerWaalsContact C-N 3.33Å
2295R59.4Low69.1Low181 Ų18162.3 Ų62.368%0.68330%0.295SS*.THydrogen-bonded Turntrans-78-13.5175.8-67.6179.5-177.7169.32.5113.6H2292 W2293H2292-R2295 PolarHBondContact O-N 2.93Å; W2293-R2295 PolarHBondContact O-N 3.2Å; W2293-R2295 VanDerWaalsContact O-N 3.17Å
2296R62Low68.6Low142 Ų14262.2 Ų62.254%0.53630%0.295SS..SBendtrans-79.8150-177.4-122.7-176.8-179.5-171-1.4112.1W2293 Q2294 R2298W2293-R2296 WeakPolarHBondContact O-CB 3.43Å; W2293-R2296 PolarHBondContact O-N 3.32Å; Q2294-R2296 VanDerWaalsContact C-N 3.33Å; R2296-R2298 PolarHBondContact O-N 2.96Å
2297N53.4Low67.9Low105 Ų10562.2 Ų62.256%0.56130%0.3SS*.  trans-60.1122.3174.9-86.8-18.2000110.8
2298R63Low67.6Low158 Ų15862.7 Ų62.760%0.59630%0.301SS*.SBendtrans-75.4-23.4-177.5-68.7-172.3-179.3-177.80.4114.1R2296 D2345 I2346R2296-R2298 PolarHBondContact O-N 2.96Å; R2298-D2345 CarbonylContact O-C 3.55Å; R2298-D2345 WeakPolarHBondContact O-CA 3.31Å; R2298-I2346 PolarHBondContact O-N 2.97Å
2299S65.7Low67.5Low73 Ų7361.1 Ų61.151%0.5129%0.287SS..EExtended strand (participates in β ladder)trans-111.2120.6178.969.90000110.5D2345S2299-D2345 WeakPolarHBondContact CB-OD1 3.48Å
2300I73.4Confident67.2Low40 Ų4061.3 Ų61.321%0.20529%0.289CS..EExtended strand (participates in β ladder)trans-105132.8175.2-58.1-174.7000108.6L2302 G2343 F2344 I2346I2300-L2302 PolarHBondContact O-N 3.03Å; I2300-G2343 WeakPolarHBondContact O-CA 3.49Å; I2300-F2344 HydrophobicContact CB-CE1 3.98Å; I2300-F2344 HydrophobicContact CB-CE2 4.12Å; I2300-F2344 HydrophobicContact CB-CZ 3.74Å; I2300-F2344 HydrophobicContact CD1-CE2 4.4Å; I2300-F2344 HydrophobicContact CD1-CZ 4.31Å; I2300-F2344 HydrophobicContact CG2-CE1 3.98Å; I2300-F2344 HydrophobicContact CG2-CZ 3.87Å; I2300-F2344 PolarHBondContact N-O 2.67Å; I2300-F2344 PolarHBondContact O-N 3.03Å; I2300-I2346 HydrophobicContact CD1-CD1 3.34Å; I2300-I2346 HydrophobicContact CD1-CG1 4.31Å; I2300-I2346 HydrophobicContact CG1-CD1 4.03Å
2301P68.6Low67Low24 Ų2461.8 Ų61.816%0.15629%0.29CS..EExtended strand (participates in β ladder)trans-64.2126.3172.323.3-29.2000111T265 L268 I2303 D2304 P2342T265-P2301 HydrophobicContact CG2-CB 3.97Å; T265-P2301 HydrophobicContact CG2-CG 3.89Å; L268-P2301 HydrophobicContact CD1-CB 3.86Å; P2301-I2303 HydrophobicContact CB-CG2 4.45Å; P2301-I2303 PolarHBondContact O-N 3.05Å; P2301-I2303 VanDerWaalsContact O-N 3.15Å; P2301-D2304 PolarHBondContact O-N 2.92Å; P2301-P2342 CarbonylContact C-O 3.56Å; P2301-P2342 WeakPolarHBondContact CA-O 3.45Å
2302L73.3Confident67Low2 Ų259.9 Ų59.91%0.0128%0.278CS..G310 helixtrans-57.4-29.1178.1-166.376.1000111.8V2197 I2300 D2304 R2305 S2306 L2309 V2340 P2342 F2344V2197-L2302 HydrophobicContact CG2-CD1 3.86Å; I2300-L2302 PolarHBondContact O-N 3.03Å; L2302-D2304 PolarHBondContact O-N 2.82Å; L2302-R2305 PolarHBondContact O-N 3.33Å; L2302-R2305 VanDerWaalsContact O-N 3.15Å; L2302-S2306 CarbonylContact O-C 3.57Å; L2302-S2306 WeakPolarHBondContact O-CA 3.29Å; L2302-S2306 PolarHBondContact O-N 3.31Å; L2302-L2309 HydrophobicContact CD2-CB 3.94Å; L2302-V2340 HydrophobicContact CD2-CB 4.47Å; L2302-V2340 HydrophobicContact CD2-CG1 3.78Å; L2302-P2342 VanDerWaalsContact CB-C 3.49Å; L2302-P2342 WeakPolarHBondContact CB-O 3.36Å; L2302-P2342 PolarHBondContact N-O 3.22Å; L2302-F2344 HydrophobicContact CB-CD1 4.39Å; L2302-F2344 HydrophobicContact CD1-CD1 3.72Å; L2302-F2344 HydrophobicContact CD1-CE1 4.3Å
2303I67.4Low66.7Low23 Ų2356 Ų5612%0.11826%0.26CS..G310 helixtrans-63.6-29.9-177.8-146.2161.2000112.7L268 P2301 R2305 A2307L268-I2303 HydrophobicContact CD1-CB 4.33Å; L268-I2303 HydrophobicContact CD1-CG2 3.97Å; L268-I2303 HydrophobicContact CD2-CB 4.48Å; L268-I2303 HydrophobicContact CD2-CD1 3.69Å; P2301-I2303 HydrophobicContact CB-CG2 4.45Å; P2301-I2303 PolarHBondContact O-N 3.05Å; P2301-I2303 VanDerWaalsContact O-N 3.15Å; I2303-R2305 VanDerWaalsContact C-N 3.27Å; I2303-R2305 PolarHBondContact O-N 3.3Å; I2303-A2307 HydrophobicContact CG1-CB 4.25Å
2304D68.6Low66.2Low72 Ų7256.7 Ų56.739%0.38527%0.268SS..G310 helixtrans-72.8-20.9179.3-77.2-12.5000112.3R300 P2301 L2302R300-D2304 IonicContact CZ-OD1 3.13Å; R300-D2304 IonicContact CZ-OD2 3.19Å; R300-D2304 IonicContact NE-OD1 2.62Å; R300-D2304 PolarHBondContact NE-OD1 2.89Å; R300-D2304 VanDerWaalsContact NE-OD1 3.14Å; R300-D2304 IonicContact NE-OD2 2.82Å; R300-D2304 VanDerWaalsContact NH2-CG 3.32Å; R300-D2304 IonicContact NH2-OD1 3.92Å; R300-D2304 PolarHBondContact NH2-OD1 3.27Å; R300-D2304 IonicContact NH2-OD2 3.9Å; R300-D2304 PolarHBondContact NH2-OD2 2.76Å; P2301-D2304 PolarHBondContact O-N 2.92Å; L2302-D2304 PolarHBondContact O-N 2.82Å
2305R73Confident65.7Low85 Ų8554.5 Ų54.532%0.32127%0.267SS..THydrogen-bonded Turntrans-102.2-42175.4-70-80.7-177.2166.8-1.9112.1D2201 L2302 I2303 F2344D2201-R2305 IonicContact OD1-CZ 2.65Å; D2201-R2305 IonicContact OD1-NH1 2.74Å; D2201-R2305 IonicContact OD1-NH2 3.17Å; D2201-R2305 PolarHBondContact OD1-NH2 3.2Å; D2201-R2305 IonicContact OD2-NH2 3.09Å; D2201-R2305 PolarHBondContact OD2-NH2 2.9Å; D2201-R2305 VanDerWaalsContact OD2-NH2 3.13Å; L2302-R2305 PolarHBondContact O-N 3.33Å; L2302-R2305 VanDerWaalsContact O-N 3.15Å; I2303-R2305 VanDerWaalsContact C-N 3.27Å; I2303-R2305 PolarHBondContact O-N 3.3Å; R2305-F2344 HydrophobicContact CG-CE1 4.11Å; R2305-F2344 HydrophobicContact CG-CZ 4.14Å
2306S70.1Confident65.7Low2 Ų249.4 Ų49.41%0.01426%0.257CS..  trans-149.188.4-168.8-175.70000111.7E2196 L2302 Q2308 L2309 S2310E2196-S2306 WeakPolarHBondContact OE2-CB 3.41Å; E2196-S2306 PolarHBondContact OE2-OG 2.88Å; L2302-S2306 CarbonylContact O-C 3.57Å; L2302-S2306 WeakPolarHBondContact O-CA 3.29Å; L2302-S2306 PolarHBondContact O-N 3.31Å; S2306-Q2308 PolarHBondContact O-N 3.46Å; S2306-L2309 VanDerWaalsContact OG-CB 3.29Å; S2306-L2309 WeakPolarHBondContact OG-CB 3.38Å; S2306-L2309 WeakPolarHBondContact OG-CD1 3.26Å; S2306-L2309 WeakPolarHBondContact OG-CG 3.24Å; S2306-L2309 PolarHBondContact OG-N 3.24Å; S2306-S2310 PolarHBondContact O-N 3.16Å
2307A66.1Low65.8Low29 Ų2943.1 Ų43.124%0.2424%0.235CC..Hα-helixtrans-60.9-34.8174.300000112.3I2303 S2310 L2311I2303-A2307 HydrophobicContact CG1-CB 4.25Å; A2307-S2310 PolarHBondContact O-N 2.88Å; A2307-S2310 PolarHBondContact O-OG 3.45Å; A2307-L2311 WeakPolarHBondContact O-CG 3.39Å; A2307-L2311 PolarHBondContact O-N 3.26Å
2308Q67.2Low66.5Low72 Ų7242.3 Ų42.334%0.33623%0.227SC..Hα-helixtrans-72.5-38.7-176.7-73.5174.5-22.600113.6R2192 S2306 S2310 L2311 F2312R2192-Q2308 VanDerWaalsContact NH2-OE1 3.14Å; S2306-Q2308 PolarHBondContact O-N 3.46Å; Q2308-S2310 VanDerWaalsContact C-N 3.3Å; Q2308-S2310 PolarHBondContact O-N 3.45Å; Q2308-L2311 PolarHBondContact O-N 3.45Å; Q2308-F2312 PolarHBondContact O-N 3.25Å
2309L71.7Confident67.3Low4 Ų434.8 Ų34.82%0.02120%0.199CC..Hα-helixtrans-65.6-36.3173.4-79.5167.4000111.3F2189 R2192 V2197 L2302 S2306 L2311 F2312F2189-L2309 HydrophobicContact CD2-CD2 3.58Å; F2189-L2309 HydrophobicContact CE2-CD2 3.63Å; R2192-L2309 HydrophobicContact CB-CD1 3.93Å; R2192-L2309 HydrophobicContact CB-CG 4.12Å; V2197-L2309 HydrophobicContact CG2-CD1 3.94Å; L2302-L2309 HydrophobicContact CD2-CB 3.94Å; S2306-L2309 VanDerWaalsContact OG-CB 3.29Å; S2306-L2309 WeakPolarHBondContact OG-CB 3.38Å; S2306-L2309 WeakPolarHBondContact OG-CD1 3.26Å; S2306-L2309 WeakPolarHBondContact OG-CG 3.24Å; S2306-L2309 PolarHBondContact OG-N 3.24Å; L2309-L2311 PolarHBondContact O-N 3.42Å; L2309-F2312 VanDerWaalsContact O-CB 3.23Å; L2309-F2312 WeakPolarHBondContact O-CB 3.35Å; L2309-F2312 PolarHBondContact O-N 2.82Å; L2309-F2312 VanDerWaalsContact O-N 3.16Å
2310S68.3Low68.1Low5 Ų531.8 Ų31.84%0.03518%0.177CC..Hα-helixtrans-62.4-29.4176.388.80000112.8S2306 A2307 Q2308S2306-S2310 PolarHBondContact O-N 3.16Å; A2307-S2310 PolarHBondContact O-N 2.88Å; A2307-S2310 PolarHBondContact O-OG 3.45Å; Q2308-S2310 VanDerWaalsContact C-N 3.3Å; Q2308-S2310 PolarHBondContact O-N 3.45Å
2311L65.5Low68.6Low25 Ų2529.9 Ų29.913%0.13117%0.167CC..THydrogen-bonded Turntrans-93.1-1.6-179.9-65.3168.8000113.4I306 N310 H359 A2307 Q2308 L2309 T2313I306-L2311 HydrophobicContact CG2-CD1 4.34Å; I306-L2311 HydrophobicContact CG2-CD2 3.95Å; N310-L2311 HydrophobicContact CB-CD2 3.92Å; N310-L2311 VanDerWaalsContact ND2-CA 3.29Å; N310-L2311 WeakPolarHBondContact ND2-CA 3.19Å; N310-L2311 VanDerWaalsContact ND2-CD2 3.27Å; N310-L2311 WeakPolarHBondContact ND2-CD2 3.5Å; N310-L2311 PolarHBondContact ND2-O 3.09Å; N310-L2311 VanDerWaalsContact ND2-O 3.14Å; H359-L2311 WeakPolarHBondContact CE1-CD1 3.19Å; A2307-L2311 WeakPolarHBondContact O-CG 3.39Å; A2307-L2311 PolarHBondContact O-N 3.26Å; Q2308-L2311 PolarHBondContact O-N 3.45Å; L2309-L2311 PolarHBondContact O-N 3.42Å; L2311-T2313 PolarHBondContact O-N 2.61Å
2312F70.1Confident69.2Low14 Ų1428.7 Ų28.76%0.06116%0.16CC..  trans-64.6121.3-177.9-165.2-89.1000111.2Q2308 L2309 A2317 L2319 I2337 V2340Q2308-F2312 PolarHBondContact O-N 3.25Å; L2309-F2312 VanDerWaalsContact O-CB 3.23Å; L2309-F2312 WeakPolarHBondContact O-CB 3.35Å; L2309-F2312 PolarHBondContact O-N 2.82Å; L2309-F2312 VanDerWaalsContact O-N 3.16Å; F2312-A2317 HydrophobicContact CZ-CB 4.35Å; F2312-L2319 HydrophobicContact CE1-CD1 4.47Å; F2312-L2319 HydrophobicContact CZ-CD1 3.87Å; F2312-I2337 HydrophobicContact CD1-CG2 4.08Å; F2312-I2337 HydrophobicContact CE1-CG2 4.13Å; F2312-V2340 HydrophobicContact CB-CG2 4.49Å
2313T63.4Low69.3Low6 Ų630.2 Ų30.24%0.03717%0.167CC..BIsolated β-bridgetrans-138.3163.1-178.955.30000111.4L2311 G2315 V2316L2311-T2313 PolarHBondContact O-N 2.61Å; T2313-G2315 PolarHBondContact O-N 3.42Å; T2313-G2315 VanDerWaalsContact O-N 3.08Å; T2313-V2316 WeakPolarHBondContact O-CB 3.38Å; T2313-V2316 PolarHBondContact O-N 3.09Å
2314V56.3Low69.8Low44 Ų4430 Ų3027%0.26717%0.166SC..THydrogen-bonded Turntrans-52.2-33179-171.40000112.7V2316 A2317 E2318 A2338 T2362V2314-V2316 PolarHBondContact O-N 3.17Å; V2314-A2317 CarbonylContact O-C 3.59Å; V2314-A2317 PolarHBondContact O-N 3.27Å; V2314-E2318 HydrophobicContact CG1-CG 3.91Å; V2314-A2338 HydrophobicContact CG2-CB 4.4Å; V2314-T2362 HydrophobicContact CG2-CG2 4.27Å
2315G53.2Low69.9Low38 Ų3826.7 Ų26.739%0.39215%0.148SC..THydrogen-bonded Turntrans-68.5-14.4179.800000114.9T2313T2313-G2315 PolarHBondContact O-N 3.42Å; T2313-G2315 VanDerWaalsContact O-N 3.08Å
2316V60.2Low69.6Low75 Ų7525.3 Ų25.346%0.45515%0.146SC..THydrogen-bonded Turntrans-87.2-50.9175.4-175.80000110.2T2313 V2314T2313-V2316 WeakPolarHBondContact O-CB 3.38Å; T2313-V2316 PolarHBondContact O-N 3.09Å; V2314-V2316 PolarHBondContact O-N 3.17Å
2317A62.4Low69.1Low9 Ų928 Ų287%0.07417%0.165CC..  trans-160.4139.6174.900000111.6A2185 F2312 V2314 L2319A2185-A2317 HydrophobicContact CB-CB 3.39Å; F2312-A2317 HydrophobicContact CZ-CB 4.35Å; V2314-A2317 CarbonylContact O-C 3.59Å; V2314-A2317 PolarHBondContact O-N 3.27Å; A2317-L2319 PolarHBondContact O-N 2.83Å
2318E69.9Low68.7Low88 Ų8829.1 Ų29.141%0.41117%0.17SC..  trans-87.186.2177.1-75-171.1-175.200111.6Q473 V2314 K2336Q473-E2318 PolarHBondContact NE2-OE1 3.12Å; V2314-E2318 HydrophobicContact CG1-CG 3.91Å; E2318-K2336 HydrophobicContact CB-CD 3.73Å; E2318-K2336 HydrophobicContact CG-CD 4.21Å; E2318-K2336 IonicContact OE2-NZ 3.59Å; E2318-K2336 PolarHBondContact OE2-NZ 3.43Å
2319L79.4Confident68.2Low0 Ų028.6 Ų28.60%017%0.172CC..PPolyproline II helixtrans-96.8137.8175.3-82.2162.8000112.2E2143 A2185 F2186 F2189 F2312 A2317 K2336 I2337E2143-L2319 HydrophobicContact CG-CD2 4.39Å; A2185-L2319 HydrophobicContact CB-CD1 4.33Å; F2186-L2319 HydrophobicContact CB-CD2 4.24Å; F2186-L2319 HydrophobicContact CD2-CD2 4Å; F2189-L2319 HydrophobicContact CB-CD1 4.42Å; F2312-L2319 HydrophobicContact CE1-CD1 4.47Å; F2312-L2319 HydrophobicContact CZ-CD1 3.87Å; A2317-L2319 PolarHBondContact O-N 2.83Å; L2319-K2336 CarbonylContact O-C 3.59Å; L2319-K2336 VanDerWaalsContact O-CA 3.3Å; L2319-K2336 WeakPolarHBondContact O-CA 3.34Å; L2319-K2336 WeakPolarHBondContact O-CB 3.19Å; L2319-I2337 HydrophobicContact CB-CD1 4.11Å; L2319-I2337 PolarHBondContact O-N 3.27Å
2320D81.9Confident67.3Low10 Ų1035.2 Ų35.25%0.05320%0.2CC..BIsolated β-bridgetrans-64.6156168.3-80-2.9000111.2E2143 W2325 R2334E2143-D2320 PolarHBondContact OE1-N 2.99Å; E2143-D2320 WeakPolarHBondContact OE2-CB 3.48Å; E2143-D2320 VanDerWaalsContact OE2-CG 3.24Å; D2320-W2325 PolarHBondContact O-NE1 3.47Å; D2320-R2334 WeakPolarHBondContact OD2-CD 3.46Å; D2320-R2334 IonicContact OD2-CZ 2.79Å; D2320-R2334 IonicContact OD2-NE 3.37Å; D2320-R2334 IonicContact OD2-NH1 3.45Å; D2320-R2334 PolarHBondContact OD2-NH1 3.26Å
2321I83.7Confident66.8Low0 Ų037.8 Ų37.80%022%0.218CC..PPolyproline II helixtrans-65.1140.2176.8-62.5-179.9000110.6H2323 M2324 P2335 I2337 Y2367 Y2369I2321-H2323 VanDerWaalsContact CG2-ND1 3.28Å; I2321-H2323 WeakPolarHBondContact CG2-ND1 3.27Å; I2321-H2323 PolarHBondContact O-N 2.75Å; I2321-M2324 WeakPolarHBondContact O-CB 3.33Å; I2321-M2324 PolarHBondContact O-N 3.19Å; I2321-P2335 HydrophobicContact CD1-CB 3.66Å; I2321-P2335 HydrophobicContact CD1-CG 3.77Å; I2321-P2335 HydrophobicContact CG1-CB 4.43Å; I2321-P2335 HydrophobicContact CG1-CG 4.48Å; I2321-P2335 WeakPolarHBondContact CG1-O 3.17Å; I2321-P2335 PolarHBondContact N-O 3.38Å; I2321-I2337 HydrophobicContact CG1-CG1 4.45Å; I2321-Y2367 HydrophobicContact CD1-CD2 3.61Å; I2321-Y2367 HydrophobicContact CD1-CE1 4.47Å; I2321-Y2367 HydrophobicContact CD1-CE2 3.24Å; I2321-Y2367 HydrophobicContact CD1-CG 4.37Å; I2321-Y2367 HydrophobicContact CG2-CD1 4.4Å; I2321-Y2367 HydrophobicContact CG2-CD2 4.35Å; I2321-Y2367 HydrophobicContact CG2-CG 4.18Å; I2321-Y2369 HydrophobicContact CG2-CE2 4.42Å; I2321-Y2369 WeakPolarHBondContact CG2-OH 3.28Å
2322P81.4Confident66.4Low0 Ų041.1 Ų41.10%025%0.25CC..G310 helixtrans-50.3-40.6-167.9-32.938.1000117.3M2324 W2325 I2337 I2359 Y2369 I2416P2322-M2324 PolarHBondContact O-N 3.4Å; P2322-W2325 HydrophobicContact CB-CD2 4.34Å; P2322-W2325 HydrophobicContact CB-CE3 4.12Å; P2322-W2325 HydrophobicContact CB-CH2 4.02Å; P2322-W2325 HydrophobicContact CB-CZ2 4.22Å; P2322-W2325 HydrophobicContact CB-CZ3 3.96Å; P2322-W2325 HydrophobicContact CG-CH2 3.89Å; P2322-W2325 HydrophobicContact CG-CZ2 3.98Å; P2322-W2325 HydrophobicContact CG-CZ3 4.33Å; P2322-W2325 VanDerWaalsContact O-CB 3.29Å; P2322-W2325 WeakPolarHBondContact O-CB 3.22Å; P2322-W2325 VanDerWaalsContact O-CG 3.25Å; P2322-W2325 PolarHBondContact O-N 2.68Å; P2322-W2325 VanDerWaalsContact O-N 3.12Å; P2322-I2337 HydrophobicContact CG-CD1 4.49Å; P2322-I2359 HydrophobicContact CG-CD1 3.92Å; P2322-Y2369 HydrophobicContact CB-CE1 4.33Å; P2322-Y2369 HydrophobicContact CG-CE2 4.34Å; P2322-I2416 VanDerWaalsContact C-CD1 3.5Å; P2322-I2416 HydrophobicContact CB-CD1 3.66Å
2323H75.9Confident66.1Low33 Ų3349.5 Ų49.515%0.15329%0.286CS..G310 helixtrans-66.4-23.9-179.569.8-73.1000113.5I2321 W2325 I2326 Y2367 Y2369 D2414 I2416I2321-H2323 VanDerWaalsContact CG2-ND1 3.28Å; I2321-H2323 WeakPolarHBondContact CG2-ND1 3.27Å; I2321-H2323 PolarHBondContact O-N 2.75Å; H2323-W2325 VanDerWaalsContact C-N 3.25Å; H2323-W2325 PolarHBondContact O-N 2.93Å; H2323-I2326 PolarHBondContact O-N 2.97Å; H2323-Y2367 AromaticContact CE1-CD1 3.89Å; H2323-Y2367 AromaticContact CE1-CE1 3.59Å; H2323-Y2369 HydrophobicContact CB-CE1 4.4Å; H2323-Y2369 PolarHBondContact ND1-OH 3.34Å; H2323-D2414 HydrophobicContact CB-CB 3.89Å; H2323-D2414 IonicContact CD2-OD2 3.72Å; H2323-I2416 HydrophobicContact CB-CD1 4.16Å
2324M76.4Confident66.4Low20 Ų2051.4 Ų51.410%0.09929%0.293CS..G310 helixtrans-76.5-12.9176.6-62.2-154.267.300113.2I2321 P2322 I2326 T2329 R2334 P2335I2321-M2324 WeakPolarHBondContact O-CB 3.33Å; I2321-M2324 PolarHBondContact O-N 3.19Å; P2322-M2324 PolarHBondContact O-N 3.4Å; M2324-I2326 PolarHBondContact O-N 3.45Å; M2324-T2329 WeakPolarHBondContact CE-OG1 3.4Å; M2324-R2334 HydrophobicContact CE-CB 4.43Å; M2324-R2334 HydrophobicContact CE-CG 3.77Å; M2324-R2334 HydrophobicContact SD-CB 4.31Å; M2324-R2334 HydrophobicContact SD-CG 4.29Å; M2324-P2335 HydrophobicContact SD-CG 4.16Å
2325W72.5Confident67.3Low2 Ų250.4 Ų50.41%0.00829%0.287CS..G310 helixtrans-66.2-23.4174.8-54.5-18.6000111.8E2143 S2144 C2147 F2186 F2189 D2320 P2322 H2323 I2416 L2418E2143-W2325 HydrophobicContact CB-CG 4.4Å; S2144-W2325 WeakPolarHBondContact CA-O 3.19Å; S2144-W2325 WeakPolarHBondContact CB-O 3.39Å; S2144-W2325 PolarHBondContact OG-O 3.28Å; C2147-W2325 HydrophobicContact CB-CB 4.31Å; F2186-W2325 HydrophobicContact CD2-CH2 4.27Å; F2186-W2325 HydrophobicContact CD2-CZ2 4.21Å; F2186-W2325 AromaticContact CE2-CD2 3.77Å; F2186-W2325 HydrophobicContact CE2-CD2 3.77Å; F2186-W2325 AromaticContact CE2-CE2 3.85Å; F2186-W2325 AromaticContact CE2-CE3 3.62Å; F2186-W2325 HydrophobicContact CE2-CE3 3.62Å; F2186-W2325 AromaticContact CE2-CH2 3.69Å; F2186-W2325 HydrophobicContact CE2-CH2 3.69Å; F2186-W2325 AromaticContact CE2-CZ2 3.84Å; F2186-W2325 HydrophobicContact CE2-CZ2 3.84Å; F2186-W2325 AromaticContact CE2-CZ3 3.58Å; F2186-W2325 HydrophobicContact CE2-CZ3 3.58Å; F2186-W2325 HydrophobicContact CZ-CE3 4.04Å; F2186-W2325 HydrophobicContact CZ-CH2 4.49Å; F2186-W2325 HydrophobicContact CZ-CZ3 4.02Å; F2189-W2325 HydrophobicContact CD1-CH2 4.16Å; F2189-W2325 HydrophobicContact CE1-CH2 4.09Å; D2320-W2325 PolarHBondContact O-NE1 3.47Å; P2322-W2325 HydrophobicContact CB-CD2 4.34Å; P2322-W2325 HydrophobicContact CB-CE3 4.12Å; P2322-W2325 HydrophobicContact CB-CH2 4.02Å; P2322-W2325 HydrophobicContact CB-CZ2 4.22Å; P2322-W2325 HydrophobicContact CB-CZ3 3.96Å; P2322-W2325 HydrophobicContact CG-CH2 3.89Å; P2322-W2325 HydrophobicContact CG-CZ2 3.98Å; P2322-W2325 HydrophobicContact CG-CZ3 4.33Å; P2322-W2325 VanDerWaalsContact O-CB 3.29Å; P2322-W2325 WeakPolarHBondContact O-CB 3.22Å; P2322-W2325 VanDerWaalsContact O-CG 3.25Å; P2322-W2325 PolarHBondContact O-N 2.68Å; P2322-W2325 VanDerWaalsContact O-N 3.12Å; H2323-W2325 VanDerWaalsContact C-N 3.25Å; H2323-W2325 PolarHBondContact O-N 2.93Å; W2325-I2416 HydrophobicContact CE3-CG2 3.89Å; W2325-I2416 HydrophobicContact CZ3-CG2 4.38Å; W2325-L2418 HydrophobicContact CZ3-CD2 4.07Å
2326I65.6Low68.6Low56 Ų5651.2 Ų51.229%0.28728%0.28SS..THydrogen-bonded Turntrans-93.1-33.5-178.2-54.5166.1000111.8H2323 M2324 P2328 A2415 I2416H2323-I2326 PolarHBondContact O-N 2.97Å; M2324-I2326 PolarHBondContact O-N 3.45Å; I2326-P2328 VanDerWaalsContact O-CD 3.24Å; I2326-P2328 WeakPolarHBondContact O-CD 3.43Å; I2326-A2415 WeakPolarHBondContact CD1-O 3.43Å; I2326-I2416 HydrophobicContact CD1-CB 4.06Å; I2326-I2416 HydrophobicContact CD1-CG1 3.51Å; I2326-I2416 HydrophobicContact CD1-CG2 4.4Å; I2326-I2416 HydrophobicContact CG1-CG1 4.29Å
2327S60.5Low69.7Low57 Ų5747.7 Ų47.740%0.39926%0.258SS..SBendtrans-111.394.5-172177.90000111.5T2329S2327-T2329 PolarHBondContact O-N 3.19Å
2328P56.2Low70.3Confident54 Ų5448.4 Ų48.435%0.35126%0.264SS..  trans-72.1100.7178.629-34.7000110.6L2115 F2141 I2326L2115-P2328 HydrophobicContact CD1-CG 3.89Å; F2141-P2328 HydrophobicContact CD1-CB 4.1Å; F2141-P2328 HydrophobicContact CD2-CB 3.96Å; F2141-P2328 HydrophobicContact CE1-CB 4.17Å; F2141-P2328 HydrophobicContact CE2-CB 4.04Å; F2141-P2328 HydrophobicContact CG-CB 3.99Å; F2141-P2328 HydrophobicContact CZ-CB 4.13Å; I2326-P2328 VanDerWaalsContact O-CD 3.24Å; I2326-P2328 WeakPolarHBondContact O-CD 3.43Å
2329T56.8Low70.5Confident61 Ų6145.6 Ų45.637%0.37425%0.25SC..  trans-104.2134171.555.10000110.8M2324 S2327 S2331 R2334M2324-T2329 WeakPolarHBondContact CE-OG1 3.4Å; S2327-T2329 PolarHBondContact O-N 3.19Å; T2329-S2331 PolarHBondContact O-N 2.87Å; T2329-R2334 VanDerWaalsContact N-NH2 3.14Å; T2329-R2334 PolarHBondContact O-NE 3.46Å; T2329-R2334 PolarHBondContact O-NH2 2.84Å
2330K53.9Low70.5Confident143 Ų14345.9 Ų45.962%0.62225%0.251SS*.  trans-78.235.1180-72.8-160.9173.7-144.40113.4E2140 F2141E2140-K2330 IonicContact OE1-NZ 3.41Å; E2140-K2330 PolarHBondContact OE1-NZ 3.48Å; E2140-K2330 WeakPolarHBondContact OE2-CE 3.49Å; E2140-K2330 IonicContact OE2-NZ 2.65Å; E2140-K2330 PolarHBondContact OE2-NZ 2.88Å; F2141-K2330 HydrophobicContact CZ-CG 4.22Å
2331S57.5Low70.3Confident58 Ų5846.8 Ų46.841%0.40626%0.256SS..  trans-76.2136.1176.674.90000110.6T2329 F2333T2329-S2331 PolarHBondContact O-N 2.87Å; S2331-F2333 PolarHBondContact O-N 3.46Å; S2331-F2333 PolarHBondContact OG-O 2.9Å
2332A57.8Low69.4Low96 Ų9647.7 Ų47.779%0.79326%0.262SS*.SBendtrans-67.9-15174.600000113.1
2333F63.8Low68.9Low189 Ų18948.8 Ų48.883%0.82927%0.274SS*.  trans-119.588.3179.8-68.9-83.5000109.1S2331S2331-F2333 PolarHBondContact O-N 3.46Å; S2331-F2333 PolarHBondContact OG-O 2.9Å
2334R68.8Low69Low47 Ų4747.3 Ų47.318%0.17727%0.267CS..PPolyproline II helixtrans-95.1125.2166.9-69.6-165.1175-173.3-1.2109.3D2320 M2324 T2329 K2336D2320-R2334 WeakPolarHBondContact OD2-CD 3.46Å; D2320-R2334 IonicContact OD2-CZ 2.79Å; D2320-R2334 IonicContact OD2-NE 3.37Å; D2320-R2334 IonicContact OD2-NH1 3.45Å; D2320-R2334 PolarHBondContact OD2-NH1 3.26Å; M2324-R2334 HydrophobicContact CE-CB 4.43Å; M2324-R2334 HydrophobicContact CE-CG 3.77Å; M2324-R2334 HydrophobicContact SD-CB 4.31Å; M2324-R2334 HydrophobicContact SD-CG 4.29Å; T2329-R2334 VanDerWaalsContact N-NH2 3.14Å; T2329-R2334 PolarHBondContact O-NE 3.46Å; T2329-R2334 PolarHBondContact O-NH2 2.84Å; R2334-K2336 PolarHBondContact O-N 3.04Å
2335P75.9Confident68.9Low22 Ų2248.4 Ų48.414%0.14327%0.273CS..PPolyproline II helixtrans-67.3133.5173.330.2-35000109I2321 M2324 T2362 D2363I2321-P2335 HydrophobicContact CD1-CB 3.66Å; I2321-P2335 HydrophobicContact CD1-CG 3.77Å; I2321-P2335 HydrophobicContact CG1-CB 4.43Å; I2321-P2335 HydrophobicContact CG1-CG 4.48Å; I2321-P2335 WeakPolarHBondContact CG1-O 3.17Å; I2321-P2335 PolarHBondContact N-O 3.38Å; M2324-P2335 HydrophobicContact SD-CG 4.16Å; P2335-T2362 WeakPolarHBondContact CA-OG1 3.43Å; P2335-D2363 HydrophobicContact CB-CB 4.28Å
2336K79.9Confident69.1Low56 Ų5649 Ų4924%0.24328%0.276CS..BIsolated β-bridgetrans-102.1161.4176.9-61.3-156.2177-167.60110.4E2318 L2319 R2334 A2338 G2361 T2362E2318-K2336 HydrophobicContact CB-CD 3.73Å; E2318-K2336 HydrophobicContact CG-CD 4.21Å; E2318-K2336 IonicContact OE2-NZ 3.59Å; E2318-K2336 PolarHBondContact OE2-NZ 3.43Å; L2319-K2336 CarbonylContact O-C 3.59Å; L2319-K2336 VanDerWaalsContact O-CA 3.3Å; L2319-K2336 WeakPolarHBondContact O-CA 3.34Å; L2319-K2336 WeakPolarHBondContact O-CB 3.19Å; R2334-K2336 PolarHBondContact O-N 3.04Å; K2336-A2338 PolarHBondContact O-N 3.45Å; K2336-A2338 VanDerWaalsContact O-N 3.07Å; K2336-G2361 CarbonylContact O-C 3.28Å; K2336-G2361 VanDerWaalsContact O-CA 3.32Å; K2336-G2361 WeakPolarHBondContact O-CA 3.4Å; K2336-T2362 HydrophobicContact CB-CG2 3.97Å; K2336-T2362 PolarHBondContact N-OG1 3.25Å; K2336-T2362 PolarHBondContact O-N 3.11Å
2337I83.1Confident69.5Low0 Ų048.1 Ų48.10%027%0.272CS..EExtended strand (participates in β ladder)trans-66.2107.5174.1-60.9177.9000108.4F2189 F2312 L2319 I2321 P2322 I2359F2189-I2337 HydrophobicContact CZ-CD1 4.27Å; F2312-I2337 HydrophobicContact CD1-CG2 4.08Å; F2312-I2337 HydrophobicContact CE1-CG2 4.13Å; L2319-I2337 HydrophobicContact CB-CD1 4.11Å; L2319-I2337 PolarHBondContact O-N 3.27Å; I2321-I2337 HydrophobicContact CG1-CG1 4.45Å; P2322-I2337 HydrophobicContact CG-CD1 4.49Å; I2337-I2359 HydrophobicContact CB-CG2 4.42Å; I2337-I2359 HydrophobicContact CG1-CG2 4.11Å; I2337-I2359 HydrophobicContact CG2-CG2 3.86Å
2338A75.8Confident70Confident24 Ų2448 Ų4820%0.19827%0.269CS..EExtended strand (participates in β ladder)trans-78.7-43.3175.200000111.5V2314 K2336 S2360 T2362V2314-A2338 HydrophobicContact CG2-CB 4.4Å; K2336-A2338 PolarHBondContact O-N 3.45Å; K2336-A2338 VanDerWaalsContact O-N 3.07Å; A2338-S2360 WeakPolarHBondContact CB-O 3.2Å; A2338-S2360 PolarHBondContact N-O 2.97Å; A2338-T2362 HydrophobicContact CB-CG2 4.23Å
2339R74.7Confident70.6Confident30 Ų3046.1 Ų46.111%0.11326%0.255CS..EExtended strand (participates in β ladder)trans-163.5149.1-178159.6177.6-77.4161.60.7110.7N270 E311 S2360N270-R2339 WeakPolarHBondContact OD1-CD 3.34Å; N270-R2339 PolarHBondContact OD1-NH1 2.91Å; E311-R2339 IonicContact OE1-CZ 3.71Å; E311-R2339 IonicContact OE1-NH1 3.39Å; E311-R2339 PolarHBondContact OE1-NH1 3.41Å; E311-R2339 IonicContact OE1-NH2 3.92Å; R2339-S2360 PolarHBondContact N-O 3.25Å; R2339-S2360 WeakPolarHBondContact O-CB 3.41Å; R2339-S2360 PolarHBondContact O-N 3.46Å
2340V78.9Confident70.7Confident5 Ų543.8 Ų43.83%0.0324%0.243CC..EExtended strand (participates in β ladder)trans-88.5126.4160.9-172.60000109F2189 L2302 F2312 I2357F2189-V2340 HydrophobicContact CE2-CG2 3.92Å; F2189-V2340 HydrophobicContact CZ-CG2 4.49Å; L2302-V2340 HydrophobicContact CD2-CB 4.47Å; L2302-V2340 HydrophobicContact CD2-CG1 3.78Å; F2312-V2340 HydrophobicContact CB-CG2 4.49Å; V2340-I2357 HydrophobicContact CG1-CG2 4.03Å
2341L76.3Confident71.3Confident30 Ų3039.3 Ų39.316%0.15723%0.226CC..EExtended strand (participates in β ladder)trans-66.2142.9178.2-61.7-169.9000109.8N270 G2343 H2358 V2366N270-L2341 WeakPolarHBondContact ND2-CD2 3.43Å; L2341-G2343 PolarHBondContact O-N 3.33Å; L2341-G2343 VanDerWaalsContact O-N 3.09Å; L2341-H2358 HydrophobicContact CB-CB 3.89Å; L2341-H2358 WeakPolarHBondContact CB-O 3.43Å; L2341-H2358 HydrophobicContact CD1-CB 3.54Å; L2341-H2358 HydrophobicContact CG-CB 3.84Å; L2341-H2358 PolarHBondContact N-O 3.46Å; L2341-V2366 HydrophobicContact CD1-CG1 3.73Å; L2341-V2366 HydrophobicContact CD1-CG2 4.28Å
2342P66.6Low71.8Confident18 Ų1838.5 Ų38.512%0.11722%0.218CC..EExtended strand (participates in β ladder)trans-85.220.5-167.630.6-33.1000114.4L268 P2301 L2302L268-P2342 HydrophobicContact CB-CB 3.79Å; L268-P2342 HydrophobicContact CB-CG 3.47Å; L268-P2342 VanDerWaalsContact CB-CG 3.47Å; L268-P2342 HydrophobicContact CD1-CB 4.34Å; L268-P2342 HydrophobicContact CD2-CB 4.28Å; L268-P2342 HydrophobicContact CG-CB 4.37Å; L268-P2342 WeakPolarHBondContact O-CG 3.38Å; P2301-P2342 CarbonylContact C-O 3.56Å; P2301-P2342 WeakPolarHBondContact CA-O 3.45Å; L2302-P2342 VanDerWaalsContact CB-C 3.49Å; L2302-P2342 WeakPolarHBondContact CB-O 3.36Å; L2302-P2342 PolarHBondContact N-O 3.22Å
2343G70.8Confident72.5Confident24 Ų2434.4 Ų34.425%0.24718%0.183CC..EExtended strand (participates in β ladder)trans-137.4141.617200000109.8I2300 L2341I2300-G2343 WeakPolarHBondContact O-CA 3.49Å; L2341-G2343 PolarHBondContact O-N 3.33Å; L2341-G2343 VanDerWaalsContact O-N 3.09Å
2344F76.4Confident73.2Confident1 Ų125.6 Ų25.60%0.00415%0.145CC..EExtended strand (participates in β ladder)trans-123.9143.4171.567.4-88.7000109.9I2300 L2302 R2305 I2346 K2355 R2356 I2357I2300-F2344 HydrophobicContact CB-CE1 3.98Å; I2300-F2344 HydrophobicContact CB-CE2 4.12Å; I2300-F2344 HydrophobicContact CB-CZ 3.74Å; I2300-F2344 HydrophobicContact CD1-CE2 4.4Å; I2300-F2344 HydrophobicContact CD1-CZ 4.31Å; I2300-F2344 HydrophobicContact CG2-CE1 3.98Å; I2300-F2344 HydrophobicContact CG2-CZ 3.87Å; I2300-F2344 PolarHBondContact N-O 2.67Å; I2300-F2344 PolarHBondContact O-N 3.03Å; L2302-F2344 HydrophobicContact CB-CD1 4.39Å; L2302-F2344 HydrophobicContact CD1-CD1 3.72Å; L2302-F2344 HydrophobicContact CD1-CE1 4.3Å; R2305-F2344 HydrophobicContact CG-CE1 4.11Å; R2305-F2344 HydrophobicContact CG-CZ 4.14Å; F2344-I2346 HydrophobicContact CE2-CG1 4.17Å; F2344-K2355 HydrophobicContact CD2-CB 4.22Å; F2344-K2355 HydrophobicContact CD2-CD 4.39Å; F2344-K2355 HydrophobicContact CD2-CG 4.22Å; F2344-K2355 HydrophobicContact CE2-CD 4.04Å; F2344-K2355 HydrophobicContact CE2-CG 4.21Å; F2344-R2356 CarbonylContact C-O 3.55Å; F2344-R2356 WeakPolarHBondContact CA-O 3.17Å; F2344-R2356 VanDerWaalsContact CB-O 3.28Å; F2344-R2356 WeakPolarHBondContact CB-O 3.43Å; F2344-I2357 HydrophobicContact CB-CG1 4.18Å
2345D75.8Confident73.9Confident44 Ų4423.7 Ų23.724%0.23514%0.138CC..EExtended strand (participates in β ladder)trans-96.5137.8-179.5-58-32000110.1R2298 S2299 I2347 K2355 R2356 H2358R2298-D2345 CarbonylContact O-C 3.55Å; R2298-D2345 WeakPolarHBondContact O-CA 3.31Å; S2299-D2345 WeakPolarHBondContact CB-OD1 3.48Å; D2345-I2347 HydrophobicContact CB-CD1 3.98Å; D2345-I2347 HydrophobicContact CB-CG1 3.95Å; D2345-K2355 CarbonylContact O-C 3.59Å; D2345-K2355 WeakPolarHBondContact O-CA 3.41Å; D2345-R2356 HydrophobicContact CB-CB 4.2Å; D2345-R2356 PolarHBondContact N-O 3.08Å; D2345-R2356 PolarHBondContact O-N 3.01Å; D2345-H2358 IonicContact OD2-NE2 2.72Å
2346I76.3Confident74.3Confident14 Ų1423.7 Ų23.77%0.07214%0.135CC..EExtended strand (participates in β ladder)trans-93.9124.7169.3-57.2168.8000108.1E2204 W2293 R2298 I2300 F2344 V2353E2204-I2346 WeakPolarHBondContact OE1-CD1 3.33Å; W2293-I2346 HydrophobicContact CZ2-CG2 4.15Å; R2298-I2346 PolarHBondContact O-N 2.97Å; I2300-I2346 HydrophobicContact CD1-CD1 3.34Å; I2300-I2346 HydrophobicContact CD1-CG1 4.31Å; I2300-I2346 HydrophobicContact CG1-CD1 4.03Å; F2344-I2346 HydrophobicContact CE2-CG1 4.17Å; I2346-V2353 HydrophobicContact CG2-CG1 3.57Å
2347I74.3Confident74.6Confident38 Ų3821.4 Ų21.420%0.19513%0.125CC..EExtended strand (participates in β ladder)trans-137.5143.9-170.4-44.1-178.3000108.6D2345 C2354 R2356D2345-I2347 HydrophobicContact CB-CD1 3.98Å; D2345-I2347 HydrophobicContact CB-CG1 3.95Å; I2347-C2354 PolarHBondContact N-O 3.38Å; I2347-C2354 PolarHBondContact O-N 2.99Å; I2347-C2354 VanDerWaalsContact O-O 3.08Å; I2347-C2354 PolarHBondContact O-SG 3.49Å; I2347-R2356 HydrophobicContact CD1-CB 3.61Å; I2347-R2356 HydrophobicContact CD1-CG 4.27Å; I2347-R2356 HydrophobicContact CG1-CB 4.35Å
2348T71.1Confident74.8Confident55 Ų5522.4 Ų22.434%0.33713%0.13SC..EExtended strand (participates in β ladder)trans-89.1119.6169.147.10000109.3W2293 V2352W2293-T2348 HydrophobicContact CE3-CG2 4.37Å; W2293-T2348 HydrophobicContact CH2-CG2 3.4Å; W2293-T2348 VanDerWaalsContact CH2-CG2 3.4Å; W2293-T2348 HydrophobicContact CZ2-CG2 3.72Å; W2293-T2348 HydrophobicContact CZ3-CG2 3.75Å; T2348-V2352 CarbonylContact C-O 3.56Å; T2348-V2352 WeakPolarHBondContact CA-O 3.31Å
2349Y67.2Low75.2Confident14 Ų1421.5 Ų21.56%0.05512%0.122CC..EExtended strand (participates in β ladder)trans-117.3110.5173.8178.2-84.7000107.8N2351 V2352 C2354 M2370 I2372 M2537 H2549Y2349-N2351 PolarHBondContact O-N 3.27Å; Y2349-V2352 PolarHBondContact N-O 3.29Å; Y2349-V2352 WeakPolarHBondContact O-CA 3.4Å; Y2349-V2352 WeakPolarHBondContact O-CB 3.46Å; Y2349-V2352 PolarHBondContact O-N 2.99Å; Y2349-C2354 WeakPolarHBondContact CB-SG 3.39Å; Y2349-M2370 HydrophobicContact CD2-CE 3.7Å; Y2349-M2370 HydrophobicContact CD2-SD 4Å; Y2349-M2370 HydrophobicContact CE2-CE 3.71Å; Y2349-I2372 HydrophobicContact CD1-CD1 4.39Å; Y2349-M2537 HydrophobicContact CD2-CE 3.83Å; Y2349-M2537 HydrophobicContact CD2-SD 3.88Å; Y2349-M2537 HydrophobicContact CE2-CE 3.59Å; Y2349-M2537 HydrophobicContact CE2-CG 3.56Å; Y2349-M2537 HydrophobicContact CE2-SD 3.28Å; Y2349-M2537 WeakPolarHBondContact CE2-SD 3.36Å; Y2349-H2549 AromaticContact CE1-NE2 3.42Å; Y2349-H2549 WeakPolarHBondContact CE1-NE2 3.16Å
2350G59.2Low75.6Confident12 Ų1220.9 Ų20.912%0.12412%0.122CC..THydrogen-bonded Turntrans45.765.1-179.900000113.8V2352G2350-V2352 PolarHBondContact O-N 3.41Å
2351N66.7Low75.8Confident49 Ų4920.8 Ų20.826%0.26212%0.122SC..THydrogen-bonded Turntrans56.5-1.1-175.3-63.7-15.5000116.4Y2211 Y2349Y2211-N2351 HydrophobicContact CD1-CB 4.03Å; Y2211-N2351 HydrophobicContact CD2-CB 3.87Å; Y2211-N2351 WeakPolarHBondContact CD2-O 3.39Å; Y2211-N2351 HydrophobicContact CE2-CB 4.33Å; Y2211-N2351 WeakPolarHBondContact CE2-O 3.27Å; Y2211-N2351 HydrophobicContact CG-CB 3.67Å; Y2349-N2351 PolarHBondContact O-N 3.27Å
2352V67.4Low75.9Confident40 Ų4023.2 Ų23.224%0.24214%0.138CC..EExtended strand (participates in β ladder)trans-98.5134.1174.8-175.60000110.1T2348 Y2349 G2350T2348-V2352 CarbonylContact C-O 3.56Å; T2348-V2352 WeakPolarHBondContact CA-O 3.31Å; Y2349-V2352 PolarHBondContact N-O 3.29Å; Y2349-V2352 WeakPolarHBondContact O-CA 3.4Å; Y2349-V2352 WeakPolarHBondContact O-CB 3.46Å; Y2349-V2352 PolarHBondContact O-N 2.99Å; G2350-V2352 PolarHBondContact O-N 3.41Å
2353V74.1Confident76.3Confident10 Ų1025.9 Ų25.96%0.06115%0.152CC..EExtended strand (participates in β ladder)trans-79125.4172.4-174.70000108.5E2204 L2207 I2346E2204-V2353 HydrophobicContact CB-CB 4.44Å; E2204-V2353 HydrophobicContact CB-CG1 4.19Å; E2204-V2353 HydrophobicContact CG-CG1 4.04Å; L2207-V2353 HydrophobicContact CD2-CG2 4.03Å; I2346-V2353 HydrophobicContact CG2-CG1 3.57Å
2354C77.3Confident76.3Confident4 Ų427.7 Ų27.73%0.02717%0.17CC..EExtended strand (participates in β ladder)trans-135.9155.5-179.252.40000111.7I2347 Y2349 L2371 I2372I2347-C2354 PolarHBondContact N-O 3.38Å; I2347-C2354 PolarHBondContact O-N 2.99Å; I2347-C2354 VanDerWaalsContact O-O 3.08Å; I2347-C2354 PolarHBondContact O-SG 3.49Å; Y2349-C2354 WeakPolarHBondContact CB-SG 3.39Å; C2354-L2371 VanDerWaalsContact CB-O 3.28Å; C2354-L2371 WeakPolarHBondContact CB-O 3.41Å; C2354-I2372 HydrophobicContact CB-CG1 3.81Å
2355K83.9Confident76.4Confident8 Ų833.7 Ų33.74%0.03520%0.196CC..EExtended strand (participates in β ladder)trans-108.4119.8-174.4-68.8173.4-179.11620110.1V2197 A2198 N2199 E2204 F2344 D2345 L2371V2197-K2355 HydrophobicContact CG1-CD 4.41Å; V2197-K2355 WeakPolarHBondContact O-CD 3.47Å; V2197-K2355 WeakPolarHBondContact O-CE 3.44Å; V2197-K2355 PolarHBondContact O-NZ 3.04Å; A2198-K2355 PolarHBondContact O-NZ 2.91Å; N2199-K2355 PolarHBondContact O-NZ 3.33Å; E2204-K2355 IonicContact OE2-NZ 3.05Å; F2344-K2355 HydrophobicContact CD2-CB 4.22Å; F2344-K2355 HydrophobicContact CD2-CD 4.39Å; F2344-K2355 HydrophobicContact CD2-CG 4.22Å; F2344-K2355 HydrophobicContact CE2-CD 4.04Å; F2344-K2355 HydrophobicContact CE2-CG 4.21Å; D2345-K2355 CarbonylContact O-C 3.59Å; D2345-K2355 WeakPolarHBondContact O-CA 3.41Å; K2355-L2371 HydrophobicContact CB-CB 4.4Å; K2355-L2371 PolarHBondContact N-O 3.24Å; K2355-L2371 WeakPolarHBondContact O-CB 3.34Å; K2355-L2371 PolarHBondContact O-N 3.01Å
2356R84.6Confident76.7Confident22 Ų2235.2 Ų35.28%0.08321%0.207CC..EExtended strand (participates in β ladder)trans-94116.6178.5-175.2-176.3-67.7169.70.2110.5F2344 D2345 I2347 Y2369 T2429F2344-R2356 CarbonylContact C-O 3.55Å; F2344-R2356 WeakPolarHBondContact CA-O 3.17Å; F2344-R2356 VanDerWaalsContact CB-O 3.28Å; F2344-R2356 WeakPolarHBondContact CB-O 3.43Å; D2345-R2356 HydrophobicContact CB-CB 4.2Å; D2345-R2356 PolarHBondContact N-O 3.08Å; D2345-R2356 PolarHBondContact O-N 3.01Å; I2347-R2356 HydrophobicContact CD1-CB 3.61Å; I2347-R2356 HydrophobicContact CD1-CG 4.27Å; I2347-R2356 HydrophobicContact CG1-CB 4.35Å; R2356-Y2369 CarbonylContact C-O 3.58Å; R2356-Y2369 VanDerWaalsContact CA-O 3.25Å; R2356-Y2369 WeakPolarHBondContact CA-O 3.48Å; R2356-T2429 PolarHBondContact NH1-O 3.08Å
2357I86.3Confident77.1Confident7 Ų736.1 Ų36.14%0.03621%0.21CC..EExtended strand (participates in β ladder)trans-109141.3-178.7-55.9169.3000108.7L2193 V2197 V2340 F2344 S2368 Y2369L2193-I2357 HydrophobicContact CD2-CD1 3.31Å; V2197-I2357 HydrophobicContact CG1-CD1 3.8Å; V2197-I2357 HydrophobicContact CG1-CG1 4.32Å; V2340-I2357 HydrophobicContact CG1-CG2 4.03Å; F2344-I2357 HydrophobicContact CB-CG1 4.18Å; I2357-S2368 CarbonylContact O-C 3.56Å; I2357-S2368 WeakPolarHBondContact O-CA 3.28Å; I2357-Y2369 PolarHBondContact N-O 3.48Å; I2357-Y2369 PolarHBondContact O-N 2.99Å
2358H86.1Confident77.7Confident22 Ų2234.8 Ų34.810%0.10220%0.203CC..EExtended strand (participates in β ladder)trans-113.4131.6-179.9-56.4-77000111.3L2341 D2345 V2366 Y2367 S2368L2341-H2358 HydrophobicContact CB-CB 3.89Å; L2341-H2358 WeakPolarHBondContact CB-O 3.43Å; L2341-H2358 HydrophobicContact CD1-CB 3.54Å; L2341-H2358 HydrophobicContact CG-CB 3.84Å; L2341-H2358 PolarHBondContact N-O 3.46Å; D2345-H2358 IonicContact OD2-NE2 2.72Å; H2358-V2366 HydrophobicContact CB-CG1 3.87Å; H2358-Y2367 CarbonylContact C-O 3.54Å; H2358-Y2367 WeakPolarHBondContact CA-O 3.35Å; H2358-S2368 PolarHBondContact CE1-OG 3.26Å; H2358-S2368 VanDerWaalsContact ND1-CB 3.32Å; H2358-S2368 WeakPolarHBondContact ND1-CB 3.36Å; H2358-S2368 PolarHBondContact ND1-OG 3.12Å
2359I85.9Confident78.4Confident4 Ų432.1 Ų32.12%0.02119%0.187CC..EExtended strand (participates in β ladder)trans-123.3127.8-177.7-58.5179000109.1F2189 P2322 I2337 V2366 Y2367 Y2369F2189-I2359 HydrophobicContact CZ-CD1 4.38Å; P2322-I2359 HydrophobicContact CG-CD1 3.92Å; I2337-I2359 HydrophobicContact CB-CG2 4.42Å; I2337-I2359 HydrophobicContact CG1-CG2 4.11Å; I2337-I2359 HydrophobicContact CG2-CG2 3.86Å; I2359-V2366 WeakPolarHBondContact O-CA 3.34Å; I2359-Y2367 PolarHBondContact N-O 3.49Å; I2359-Y2367 PolarHBondContact O-N 3.24Å; I2359-Y2369 HydrophobicContact CB-CE2 4.4Å; I2359-Y2369 HydrophobicContact CD1-CD2 3.85Å; I2359-Y2369 HydrophobicContact CD1-CE2 3.93Å; I2359-Y2369 HydrophobicContact CG1-CD2 4.22Å; I2359-Y2369 HydrophobicContact CG1-CE2 4.41Å
2360S82.4Confident79.2Confident18 Ų1831.9 Ų31.913%0.12619%0.187CC..EExtended strand (participates in β ladder)trans-85.6126.9173.9-179.60000110.2A2338 R2339A2338-S2360 WeakPolarHBondContact CB-O 3.2Å; A2338-S2360 PolarHBondContact N-O 2.97Å; R2339-S2360 PolarHBondContact N-O 3.25Å; R2339-S2360 WeakPolarHBondContact O-CB 3.41Å; R2339-S2360 PolarHBondContact O-N 3.46Å
2361G82.5Confident80.4Confident2 Ų231.6 Ų31.62%0.02118%0.182CC..EExtended strand (participates in β ladder)trans-82.9162.2169.400000113K2336 D2363 G2364 K2365K2336-G2361 CarbonylContact O-C 3.28Å; K2336-G2361 VanDerWaalsContact O-CA 3.32Å; K2336-G2361 WeakPolarHBondContact O-CA 3.4Å; G2361-D2363 PolarHBondContact O-N 3.38Å; G2361-G2364 PolarHBondContact O-N 3.04Å; G2361-K2365 PolarHBondContact N-O 3.25Å
2362T78.9Confident81.1Confident81 Ų8129.9 Ų29.950%0.49717%0.173SC..THydrogen-bonded Turntrans-65.7-12.1169.451.70000113.3V2314 P2335 K2336 A2338 G2364V2314-T2362 HydrophobicContact CG2-CG2 4.27Å; P2335-T2362 WeakPolarHBondContact CA-OG1 3.43Å; K2336-T2362 HydrophobicContact CB-CG2 3.97Å; K2336-T2362 PolarHBondContact N-OG1 3.25Å; K2336-T2362 PolarHBondContact O-N 3.11Å; A2338-T2362 HydrophobicContact CB-CG2 4.23Å; T2362-G2364 VanDerWaalsContact C-N 3.28Å
2363D74.9Confident81.4Confident75 Ų7531.8 Ų31.840%0.40118%0.179SC..THydrogen-bonded Turntrans-83.9-117171.2-27.2000113.4P2335 G2361 K2365 Y2367P2335-D2363 HydrophobicContact CB-CB 4.28Å; G2361-D2363 PolarHBondContact O-N 3.38Å; D2363-K2365 VanDerWaalsContact C-N 3.27Å; D2363-K2365 PolarHBondContact O-N 3.47Å; D2363-K2365 PolarHBondContact OD1-N 2.95Å; D2363-K2365 VanDerWaalsContact OD2-CD 3.3Å; D2363-K2365 WeakPolarHBondContact OD2-CD 3.18Å; D2363-K2365 WeakPolarHBondContact OD2-CG 3.5Å; D2363-Y2367 PolarHBondContact OD2-OH 3.34Å
2364G70.9Confident81.2Confident62 Ų6232.4 Ų32.464%0.63918%0.182SC*.SBendtrans77.35.6-178.900000114.5G2361 T2362G2361-G2364 PolarHBondContact O-N 3.04Å; T2362-G2364 VanDerWaalsContact C-N 3.28Å
2365K77.4Confident80.7Confident127 Ų12740.8 Ų40.855%0.55222%0.221SC*.PPolyproline II helixtrans-82.7145.7172.5-71.4-174.5-171.71700110.9G2361 D2363 Y2367G2361-K2365 PolarHBondContact N-O 3.25Å; D2363-K2365 VanDerWaalsContact C-N 3.27Å; D2363-K2365 PolarHBondContact O-N 3.47Å; D2363-K2365 PolarHBondContact OD1-N 2.95Å; D2363-K2365 VanDerWaalsContact OD2-CD 3.3Å; D2363-K2365 WeakPolarHBondContact OD2-CD 3.18Å; D2363-K2365 WeakPolarHBondContact OD2-CG 3.5Å; K2365-Y2367 HydrophobicContact CB-CD2 4.31Å; K2365-Y2367 HydrophobicContact CB-CE2 3.68Å
2366V82.1Confident80Confident75 Ų7542.4 Ų42.446%0.45523%0.233SC..EExtended strand (participates in β ladder)trans-98.2117.4171.3-179.30000108.2L2341 H2358 I2359L2341-V2366 HydrophobicContact CD1-CG1 3.73Å; L2341-V2366 HydrophobicContact CD1-CG2 4.28Å; H2358-V2366 HydrophobicContact CB-CG1 3.87Å; I2359-V2366 WeakPolarHBondContact O-CA 3.34Å
2367Y85.8Confident79.2Confident34 Ų3443 Ų4313%0.13324%0.238CC..EExtended strand (participates in β ladder)trans-97.3125.3175.6-63.2-95.7000108.3I2321 H2323 H2358 I2359 D2363 K2365 L2426I2321-Y2367 HydrophobicContact CD1-CD2 3.61Å; I2321-Y2367 HydrophobicContact CD1-CE1 4.47Å; I2321-Y2367 HydrophobicContact CD1-CE2 3.24Å; I2321-Y2367 HydrophobicContact CD1-CG 4.37Å; I2321-Y2367 HydrophobicContact CG2-CD1 4.4Å; I2321-Y2367 HydrophobicContact CG2-CD2 4.35Å; I2321-Y2367 HydrophobicContact CG2-CG 4.18Å; H2323-Y2367 AromaticContact CE1-CD1 3.89Å; H2323-Y2367 AromaticContact CE1-CE1 3.59Å; H2358-Y2367 CarbonylContact C-O 3.54Å; H2358-Y2367 WeakPolarHBondContact CA-O 3.35Å; I2359-Y2367 PolarHBondContact N-O 3.49Å; I2359-Y2367 PolarHBondContact O-N 3.24Å; D2363-Y2367 PolarHBondContact OD2-OH 3.34Å; K2365-Y2367 HydrophobicContact CB-CD2 4.31Å; K2365-Y2367 HydrophobicContact CB-CE2 3.68Å; Y2367-L2426 HydrophobicContact CD1-CD1 4.2Å
2368S85.9Confident78.5Confident9 Ų948.5 Ų48.56%0.06326%0.262CS..EExtended strand (participates in β ladder)trans-106.3132.5180-43.50000109.4I2357 H2358 C2427I2357-S2368 CarbonylContact O-C 3.56Å; I2357-S2368 WeakPolarHBondContact O-CA 3.28Å; H2358-S2368 PolarHBondContact CE1-OG 3.26Å; H2358-S2368 VanDerWaalsContact ND1-CB 3.32Å; H2358-S2368 WeakPolarHBondContact ND1-CB 3.36Å; H2358-S2368 PolarHBondContact ND1-OG 3.12Å; S2368-C2427 WeakPolarHBondContact CB-O 3.41Å; S2368-C2427 PolarHBondContact O-N 3.09Å; S2368-C2427 VanDerWaalsContact O-O 3.07Å
2369Y87.2Confident78Confident0 Ų049.6 Ų49.60%027%0.268CS..EExtended strand (participates in β ladder)trans-124.1130.9-177.8-67-82.4000110.2I2321 P2322 H2323 R2356 I2357 I2359 I2416 L2424 I2425 L2426I2321-Y2369 HydrophobicContact CG2-CE2 4.42Å; I2321-Y2369 WeakPolarHBondContact CG2-OH 3.28Å; P2322-Y2369 HydrophobicContact CB-CE1 4.33Å; P2322-Y2369 HydrophobicContact CG-CE2 4.34Å; H2323-Y2369 HydrophobicContact CB-CE1 4.4Å; H2323-Y2369 PolarHBondContact ND1-OH 3.34Å; R2356-Y2369 CarbonylContact C-O 3.58Å; R2356-Y2369 VanDerWaalsContact CA-O 3.25Å; R2356-Y2369 WeakPolarHBondContact CA-O 3.48Å; I2357-Y2369 PolarHBondContact N-O 3.48Å; I2357-Y2369 PolarHBondContact O-N 2.99Å; I2359-Y2369 HydrophobicContact CB-CE2 4.4Å; I2359-Y2369 HydrophobicContact CD1-CD2 3.85Å; I2359-Y2369 HydrophobicContact CD1-CE2 3.93Å; I2359-Y2369 HydrophobicContact CG1-CD2 4.22Å; I2359-Y2369 HydrophobicContact CG1-CE2 4.41Å; Y2369-I2416 HydrophobicContact CD1-CD1 4.11Å; Y2369-I2416 HydrophobicContact CE1-CD1 3.67Å; Y2369-L2424 HydrophobicContact CD1-CB 4.35Å; Y2369-L2424 HydrophobicContact CG-CD2 4.5Å; Y2369-I2425 CarbonylContact C-O 3.52Å; Y2369-I2425 VanDerWaalsContact CA-O 3.29Å; Y2369-I2425 WeakPolarHBondContact CA-O 3.43Å; Y2369-L2426 HydrophobicContact CD1-CB 4.2Å; Y2369-L2426 HydrophobicContact CD1-CD1 4.19Å; Y2369-L2426 HydrophobicContact CE1-CB 3.9Å; Y2369-L2426 HydrophobicContact CE1-CD1 3.62Å; Y2369-L2426 HydrophobicContact CE1-CG 4.36Å; Y2369-L2426 HydrophobicContact CE2-CD1 4.36Å
2370M84.3Confident77.4Confident8 Ų849.8 Ų49.84%0.03927%0.27CS..EExtended strand (participates in β ladder)trans-89.6123.1169.4-63-174.8-56.200109.1Y2349 L2424 I2425 C2427Y2349-M2370 HydrophobicContact CD2-CE 3.7Å; Y2349-M2370 HydrophobicContact CD2-SD 4Å; Y2349-M2370 HydrophobicContact CE2-CE 3.71Å; M2370-L2424 CarbonylContact O-C 3.6Å; M2370-L2424 WeakPolarHBondContact O-CA 3.47Å; M2370-I2425 HydrophobicContact CE-CG2 4.47Å; M2370-I2425 PolarHBondContact N-O 3.42Å; M2370-I2425 PolarHBondContact O-N 3.44Å; M2370-C2427 HydrophobicContact CE-CB 3.91Å; M2370-C2427 HydrophobicContact CG-CB 3.8Å; M2370-C2427 HydrophobicContact SD-CB 4.09Å; M2370-C2427 VanDerWaalsContact SD-SG 3.64Å
2371L84.4Confident77Confident7 Ų750.1 Ų50.14%0.03727%0.269CS..EExtended strand (participates in β ladder)trans-91.4116.9173.1-166.187.4000108.3L2193 A2198 C2354 K2355 L2418 L2424L2193-L2371 HydrophobicContact CD2-CD1 4.09Å; A2198-L2371 HydrophobicContact CB-CD2 3.36Å; C2354-L2371 VanDerWaalsContact CB-O 3.28Å; C2354-L2371 WeakPolarHBondContact CB-O 3.41Å; K2355-L2371 HydrophobicContact CB-CB 4.4Å; K2355-L2371 PolarHBondContact N-O 3.24Å; K2355-L2371 WeakPolarHBondContact O-CB 3.34Å; K2355-L2371 PolarHBondContact O-N 3.01Å; L2371-L2418 HydrophobicContact CD1-CD1 3.89Å; L2371-L2424 HydrophobicContact CB-CD2 4.16Å; L2371-L2424 HydrophobicContact CD1-CD2 3.42Å; L2371-L2424 VanDerWaalsContact CD1-CD2 3.42Å; L2371-L2424 HydrophobicContact CD1-CG 3.79Å; L2371-L2424 HydrophobicContact CG-CD2 4.42Å
2372I79.6Confident76.8Confident13 Ų1350.1 Ų50.17%0.06727%0.269CS..EExtended strand (participates in β ladder)trans-119.4137.7-177.5-64.2161.8000109Y2349 C2354 H2422 T2423 I2425Y2349-I2372 HydrophobicContact CD1-CD1 4.39Å; C2354-I2372 HydrophobicContact CB-CG1 3.81Å; I2372-H2422 WeakPolarHBondContact O-CA 3.19Å; I2372-T2423 PolarHBondContact N-O 3.34Å; I2372-T2423 PolarHBondContact O-N 3.05Å; I2372-I2425 HydrophobicContact CD1-CD1 3.48Å; I2372-I2425 VanDerWaalsContact CD1-CD1 3.48Å; I2372-I2425 HydrophobicContact CD1-CG1 4.04Å
2373E75.4Confident76.8Confident79 Ų7947.9 Ų47.937%0.36925%0.252SS..EExtended strand (participates in β ladder)trans-81.8133.4171.8-150174.4-154.700109.8H2421 H2422E2373-H2421 CarbonylContact C-O 3.59Å; E2373-H2421 VanDerWaalsContact CA-O 3.31Å; E2373-H2421 WeakPolarHBondContact CA-O 3.47Å; E2373-H2421 WeakPolarHBondContact CG-O 3.44Å; E2373-H2422 IonicContact OE1-NE2 2.7Å
2374N70Confident76.8Confident23 Ų2346 Ų4612%0.12324%0.244CC..  trans-98.2135.4-173.3-58.7-43.4000110.8V2380 H2421 H2422 T2423N2374-V2380 HydrophobicContact CB-CG2 3.55Å; N2374-V2380 VanDerWaalsContact ND2-CG2 3.33Å; N2374-V2380 WeakPolarHBondContact ND2-CG2 3.46Å; N2374-H2421 PolarHBondContact N-O 3.37Å; N2374-H2422 PolarHBondContact ND2-N 3.4Å; N2374-T2423 PolarHBondContact ND2-OG1 3.02Å; N2374-T2423 PolarHBondContact OD1-OG1 2.79Å
2375E65Low77Confident180 Ų18043.6 Ų43.684%0.84122%0.216SC*.SBendtrans-61.7-47.1172.4-66.7170.4-177.900113
2376S71.1Confident77.2Confident42 Ų4237.9 Ų37.929%0.29419%0.192SC..  trans-150.2139.7-179.478.50000112.8K2378 N2379 V2380S2376-K2378 PolarHBondContact O-N 2.88Å; S2376-N2379 PolarHBondContact O-N 3.26Å; S2376-N2379 VanDerWaalsContact OG-CG 3.25Å; S2376-N2379 PolarHBondContact OG-N 3.48Å; S2376-N2379 PolarHBondContact OG-ND2 2.9Å; S2376-V2380 WeakPolarHBondContact O-CG2 3.43Å; S2376-V2380 PolarHBondContact O-N 2.9Å
2377L67.1Low77Confident36 Ų3635.1 Ų35.119%0.18818%0.176CC..Hα-helixtrans-56.2-36.9176.5-178.777.6000111.9I2151 N2379 V2380 Q2381 P2420I2151-L2377 HydrophobicContact CG2-CD1 3.99Å; L2377-N2379 PolarHBondContact O-N 3.1Å; L2377-V2380 PolarHBondContact O-N 3.14Å; L2377-Q2381 WeakPolarHBondContact O-CG 3.36Å; L2377-Q2381 PolarHBondContact O-N 3.35Å; L2377-P2420 HydrophobicContact CB-CB 4.48Å; L2377-P2420 HydrophobicContact CD1-CB 3.95Å
2378K72.3Confident76.5Confident122 Ų12235 Ų3553%0.5318%0.177SC..Hα-helixtrans-59.3-46.8179.7-67.6-170.2-179.9-178.20111.5S2376 V2380 Q2381 S2382 L2616S2376-K2378 PolarHBondContact O-N 2.88Å; K2378-V2380 PolarHBondContact O-N 3.17Å; K2378-Q2381 PolarHBondContact O-N 2.78Å; K2378-S2382 PolarHBondContact O-N 3.16Å; K2378-S2382 VanDerWaalsContact O-N 3.12Å; K2378-S2382 PolarHBondContact O-OG 3.15Å; K2378-L2616 HydrophobicContact CB-CD2 3.47Å; K2378-L2616 VanDerWaalsContact CB-CD2 3.47Å; K2378-L2616 HydrophobicContact CD-CD2 4.01Å; K2378-L2616 HydrophobicContact CG-CD2 3.65Å
2379N74.6Confident76.2Confident45 Ų4534.6 Ų34.624%0.24117%0.174CC..Hα-helixtrans-66.9-35.6179.4-71.1-14.1000112.3S2376 L2377 S2382 K2383S2376-N2379 PolarHBondContact O-N 3.26Å; S2376-N2379 VanDerWaalsContact OG-CG 3.25Å; S2376-N2379 PolarHBondContact OG-N 3.48Å; S2376-N2379 PolarHBondContact OG-ND2 2.9Å; L2377-N2379 PolarHBondContact O-N 3.1Å; N2379-S2382 PolarHBondContact O-N 2.97Å; N2379-K2383 VanDerWaalsContact O-CG 3.28Å; N2379-K2383 WeakPolarHBondContact O-CG 3.36Å; N2379-K2383 PolarHBondContact O-N 3.36Å
2380V73.2Confident75.9Confident8 Ų834.8 Ų34.85%0.04817%0.174CC..Hα-helixtrans-65.7-45177.5179.20000110.9N2374 S2376 L2377 K2378 S2382 K2383 C2384 P2417N2374-V2380 HydrophobicContact CB-CG2 3.55Å; N2374-V2380 VanDerWaalsContact ND2-CG2 3.33Å; N2374-V2380 WeakPolarHBondContact ND2-CG2 3.46Å; S2376-V2380 WeakPolarHBondContact O-CG2 3.43Å; S2376-V2380 PolarHBondContact O-N 2.9Å; L2377-V2380 PolarHBondContact O-N 3.14Å; K2378-V2380 PolarHBondContact O-N 3.17Å; V2380-S2382 VanDerWaalsContact C-N 3.31Å; V2380-S2382 PolarHBondContact O-N 3.27Å; V2380-K2383 PolarHBondContact O-N 3.42Å; V2380-C2384 WeakPolarHBondContact O-CB 3.44Å; V2380-C2384 PolarHBondContact O-N 3.32Å; V2380-C2384 PolarHBondContact O-SG 2.98Å; V2380-C2384 VanDerWaalsContact O-SG 3.39Å; V2380-P2417 HydrophobicContact CG1-CB 4.18Å
2381Q73.9Confident75.5Confident24 Ų2438.3 Ų38.311%0.11219%0.19CC..Hα-helixtrans-59.3-44.4175.9-71.4178.6-12.800111.1L2377 K2378 C2384 R2385L2377-Q2381 WeakPolarHBondContact O-CG 3.36Å; L2377-Q2381 PolarHBondContact O-N 3.35Å; K2378-Q2381 PolarHBondContact O-N 2.78Å; Q2381-C2384 PolarHBondContact O-N 2.9Å; Q2381-R2385 WeakPolarHBondContact O-CG 3.38Å; Q2381-R2385 PolarHBondContact O-N 3.08Å
2382S78.7Confident75Confident3 Ų338.6 Ų38.62%0.02120%0.195CC..Hα-helixtrans-60.4-45.1175-62.60000113K2378 N2379 V2380 R2385 L2386 E2613K2378-S2382 PolarHBondContact O-N 3.16Å; K2378-S2382 VanDerWaalsContact O-N 3.12Å; K2378-S2382 PolarHBondContact O-OG 3.15Å; N2379-S2382 PolarHBondContact O-N 2.97Å; V2380-S2382 VanDerWaalsContact C-N 3.31Å; V2380-S2382 PolarHBondContact O-N 3.27Å; S2382-R2385 PolarHBondContact O-N 3.3Å; S2382-L2386 PolarHBondContact O-N 3.11Å; S2382-E2613 WeakPolarHBondContact CA-OE1 3.36Å; S2382-E2613 WeakPolarHBondContact CB-OE1 3.4Å; S2382-E2613 WeakPolarHBondContact CB-OE2 3.3Å; S2382-E2613 PolarHBondContact OG-OE1 3.18Å; S2382-E2613 PolarHBondContact OG-OE2 2.83Å
2383K78.4Confident75.2Confident33 Ų3338 Ų3814%0.14319%0.192CC..Hα-helixtrans-61.8-46.1176.7-71.3172.8-176.5-174.20111.8N2379 V2380 R2385 L2386 S2387 F2548 H2549 L2551N2379-K2383 VanDerWaalsContact O-CG 3.28Å; N2379-K2383 WeakPolarHBondContact O-CG 3.36Å; N2379-K2383 PolarHBondContact O-N 3.36Å; V2380-K2383 PolarHBondContact O-N 3.42Å; K2383-R2385 PolarHBondContact O-N 3.37Å; K2383-L2386 PolarHBondContact O-N 3.2Å; K2383-S2387 PolarHBondContact O-N 3.01Å; K2383-F2548 HydrophobicContact CB-CE1 4.24Å; K2383-F2548 HydrophobicContact CB-CE2 3.87Å; K2383-F2548 HydrophobicContact CB-CZ 3.71Å; K2383-F2548 HydrophobicContact CD-CD1 4.12Å; K2383-F2548 HydrophobicContact CD-CE1 3.8Å; K2383-F2548 HydrophobicContact CD-CZ 4.16Å; K2383-F2548 WeakPolarHBondContact CD-O 3.38Å; K2383-F2548 WeakPolarHBondContact CG-O 3.39Å; K2383-H2549 PolarHBondContact NZ-ND1 3.44Å; K2383-L2551 HydrophobicContact CG-CD2 3.87Å
2384C74.7Confident75.6Confident35 Ų3534.9 Ų34.924%0.23618%0.178CC..Hα-helixtrans-62-41.1177.2-710000112.1V2380 Q2381 S2387 Q2388V2380-C2384 WeakPolarHBondContact O-CB 3.44Å; V2380-C2384 PolarHBondContact O-N 3.32Å; V2380-C2384 PolarHBondContact O-SG 2.98Å; V2380-C2384 VanDerWaalsContact O-SG 3.39Å; Q2381-C2384 PolarHBondContact O-N 2.9Å; C2384-S2387 PolarHBondContact O-N 3.5Å; C2384-Q2388 WeakPolarHBondContact O-CB 3.12Å; C2384-Q2388 PolarHBondContact O-N 3.46Å
2385R76.1Confident75.9Confident13 Ų1340.8 Ų40.85%0.04920%0.203CC..Hα-helixtrans-61.8-43.3174.7-77-172.2-158.1110.79.5111.9E2120 Q2381 S2382 K2383 Q2388 C2389 F2609 E2613E2120-R2385 IonicContact OE1-CZ 3.13Å; E2120-R2385 IonicContact OE1-NE 2.88Å; E2120-R2385 PolarHBondContact OE1-NE 2.99Å; E2120-R2385 IonicContact OE1-NH2 3.6Å; E2120-R2385 PolarHBondContact OE1-NH2 3.49Å; E2120-R2385 IonicContact OE2-NE 3.71Å; Q2381-R2385 WeakPolarHBondContact O-CG 3.38Å; Q2381-R2385 PolarHBondContact O-N 3.08Å; S2382-R2385 PolarHBondContact O-N 3.3Å; K2383-R2385 PolarHBondContact O-N 3.37Å; R2385-Q2388 WeakPolarHBondContact O-CB 3.32Å; R2385-Q2388 PolarHBondContact O-N 2.98Å; R2385-C2389 PolarHBondContact O-N 2.87Å; R2385-F2609 HydrophobicContact CB-CD1 4.07Å; R2385-F2609 HydrophobicContact CB-CE1 4.49Å; R2385-F2609 WeakPolarHBondContact O-CE1 3.44Å; R2385-E2613 IonicContact CZ-OE1 2.7Å; R2385-E2613 IonicContact NH1-OE1 3.58Å; R2385-E2613 PolarHBondContact NH1-OE1 2.75Å
2386L81.4Confident76.5Confident6 Ų633 Ų333%0.03117%0.167CC..Hα-helixtrans-63.8-44.7177.5-172.472.4000111.4S2382 K2383 Q2388 C2389 F2390 L2526 L2528 Q2550 F2552S2382-L2386 PolarHBondContact O-N 3.11Å; K2383-L2386 PolarHBondContact O-N 3.2Å; L2386-Q2388 VanDerWaalsContact C-N 3.25Å; L2386-Q2388 PolarHBondContact O-N 2.75Å; L2386-C2389 CarbonylContact O-C 3.6Å; L2386-C2389 WeakPolarHBondContact O-CA 3.47Å; L2386-C2389 WeakPolarHBondContact O-CB 3.29Å; L2386-C2389 PolarHBondContact O-N 2.66Å; L2386-F2390 HydrophobicContact CD1-CE2 4.06Å; L2386-F2390 HydrophobicContact CD1-CZ 4.44Å; L2386-F2390 HydrophobicContact CD2-CE2 3.83Å; L2386-F2390 HydrophobicContact CG-CD2 4.01Å; L2386-F2390 HydrophobicContact CG-CE2 3.58Å; L2386-F2390 HydrophobicContact CG-CZ 4.41Å; L2386-F2390 VanDerWaalsContact O-CD2 3.26Å; L2386-F2390 WeakPolarHBondContact O-CD2 3.42Å; L2386-F2390 PolarHBondContact O-N 3.46Å; L2386-L2526 HydrophobicContact CD1-CD1 4.21Å; L2386-L2528 HydrophobicContact CD1-CD2 3.75Å; L2386-L2528 HydrophobicContact CD2-CD1 4.39Å; L2386-L2528 HydrophobicContact CD2-CD2 3.92Å; L2386-Q2550 HydrophobicContact CD2-CB 3.45Å; L2386-Q2550 VanDerWaalsContact CD2-CB 3.45Å; L2386-Q2550 WeakPolarHBondContact CD2-O 3.3Å; L2386-F2552 HydrophobicContact CD1-CD2 4.4Å; L2386-F2552 HydrophobicContact CD1-CE1 4.32Å; L2386-F2552 HydrophobicContact CD1-CE2 3.69Å; L2386-F2552 HydrophobicContact CD1-CZ 3.64Å
2387S78.8Confident77Confident17 Ų1731 Ų3112%0.11915%0.153CC..Hα-helixtrans-58.5-37.4172.3-97.70000112.4K2383 C2384 C2389 F2390 H2391 L2412K2383-S2387 PolarHBondContact O-N 3.01Å; C2384-S2387 PolarHBondContact O-N 3.5Å; S2387-C2389 VanDerWaalsContact C-N 3.34Å; S2387-F2390 PolarHBondContact O-N 3.03Å; S2387-H2391 PolarHBondContact O-N 3.48Å; S2387-H2391 PolarHBondContact O-ND1 3.22Å; S2387-L2412 WeakPolarHBondContact O-CD1 3.47Å
2388Q74.4Confident77.4Confident33 Ų3334.9 Ų34.915%0.15417%0.165CC..Hα-helixtrans-68.1-35.9175-166.2-175.14.500112C2384 R2385 L2386 H2391 G2392 W2605 F2609C2384-Q2388 WeakPolarHBondContact O-CB 3.12Å; C2384-Q2388 PolarHBondContact O-N 3.46Å; R2385-Q2388 WeakPolarHBondContact O-CB 3.32Å; R2385-Q2388 PolarHBondContact O-N 2.98Å; L2386-Q2388 VanDerWaalsContact C-N 3.25Å; L2386-Q2388 PolarHBondContact O-N 2.75Å; Q2388-H2391 WeakPolarHBondContact O-CB 3.5Å; Q2388-H2391 PolarHBondContact O-N 2.85Å; Q2388-G2392 PolarHBondContact O-N 3.41Å; Q2388-G2392 VanDerWaalsContact O-N 3.16Å; Q2388-W2605 WeakPolarHBondContact O-CH2 3.46Å; Q2388-F2609 HydrophobicContact CB-CE1 4.21Å; Q2388-F2609 HydrophobicContact CB-CZ 4.47Å; Q2388-F2609 HydrophobicContact CG-CE1 4.41Å; Q2388-F2609 HydrophobicContact CG-CZ 4.38Å
2389C78.9Confident77.5Confident0 Ų033.1 Ų33.10%016%0.159CC..Hα-helixtrans-61.2-45.7171.6-163.90000110.7R2385 L2386 S2387 H2391 G2392 F2393 W2605 F2609R2385-C2389 PolarHBondContact O-N 2.87Å; L2386-C2389 CarbonylContact O-C 3.6Å; L2386-C2389 WeakPolarHBondContact O-CA 3.47Å; L2386-C2389 WeakPolarHBondContact O-CB 3.29Å; L2386-C2389 PolarHBondContact O-N 2.66Å; S2387-C2389 VanDerWaalsContact C-N 3.34Å; C2389-H2391 PolarHBondContact O-N 2.88Å; C2389-G2392 PolarHBondContact O-N 3.39Å; C2389-F2393 WeakPolarHBondContact O-CG 3.43Å; C2389-F2393 PolarHBondContact O-N 3.23Å; C2389-F2393 WeakPolarHBondContact SG-CZ 3.42Å; C2389-W2605 HydrophobicContact CB-CH2 4.39Å; C2389-W2605 HydrophobicContact CB-CZ3 4.28Å; C2389-W2605 WeakPolarHBondContact O-CH2 3.35Å; C2389-W2605 WeakPolarHBondContact O-CZ3 3.21Å; C2389-W2605 VanDerWaalsContact SG-CZ3 3.56Å; C2389-F2609 HydrophobicContact CB-CD1 4.45Å; C2389-F2609 HydrophobicContact CB-CD2 4.12Å; C2389-F2609 HydrophobicContact CB-CE1 4.38Å; C2389-F2609 HydrophobicContact CB-CE2 4.05Å; C2389-F2609 HydrophobicContact CB-CG 4.32Å; C2389-F2609 HydrophobicContact CB-CZ 4.17Å
2390F81.9Confident77.6Confident3 Ų333.2 Ų33.21%0.01316%0.159CC..Hα-helixtrans-67.1-33.7175.1-68.9-61.6000113.4L2386 S2387 G2392 F2393 N2394 F2410 L2412 A2522 L2526 L2528L2386-F2390 HydrophobicContact CD1-CE2 4.06Å; L2386-F2390 HydrophobicContact CD1-CZ 4.44Å; L2386-F2390 HydrophobicContact CD2-CE2 3.83Å; L2386-F2390 HydrophobicContact CG-CD2 4.01Å; L2386-F2390 HydrophobicContact CG-CE2 3.58Å; L2386-F2390 HydrophobicContact CG-CZ 4.41Å; L2386-F2390 VanDerWaalsContact O-CD2 3.26Å; L2386-F2390 WeakPolarHBondContact O-CD2 3.42Å; L2386-F2390 PolarHBondContact O-N 3.46Å; S2387-F2390 PolarHBondContact O-N 3.03Å; F2390-G2392 VanDerWaalsContact C-N 3.33Å; F2390-G2392 PolarHBondContact O-N 2.92Å; F2390-F2393 AromaticContact CD1-CD2 3.72Å; F2390-F2393 HydrophobicContact CD1-CD2 3.72Å; F2390-F2393 HydrophobicContact CD1-CE2 4.18Å; F2390-F2393 HydrophobicContact CE1-CD2 4.28Å; F2390-F2393 HydrophobicContact CE1-CE2 4.41Å; F2390-F2393 WeakPolarHBondContact O-CB 3.19Å; F2390-F2393 PolarHBondContact O-N 3.39Å; F2390-N2394 PolarHBondContact O-N 3.35Å; F2390-F2410 HydrophobicContact CB-CB 4.21Å; F2390-F2410 HydrophobicContact CB-CG 4.48Å; F2390-F2410 HydrophobicContact CD1-CB 4.32Å; F2390-F2410 AromaticContact CD1-CD1 3.95Å; F2390-F2410 HydrophobicContact CD1-CD1 3.95Å; F2390-F2410 AromaticContact CD1-CD2 3.87Å; F2390-F2410 HydrophobicContact CD1-CD2 3.87Å; F2390-F2410 HydrophobicContact CD1-CE1 4.2Å; F2390-F2410 HydrophobicContact CD1-CE2 4.12Å; F2390-F2410 AromaticContact CD1-CG 3.77Å; F2390-F2410 HydrophobicContact CD1-CG 3.77Å; F2390-F2410 HydrophobicContact CD1-CZ 4.28Å; F2390-F2410 HydrophobicContact CE1-CD1 4.09Å; F2390-F2410 HydrophobicContact CE1-CE1 4.01Å; F2390-F2410 HydrophobicContact CE1-CG 4.37Å; F2390-F2410 HydrophobicContact CE1-CZ 4.23Å; F2390-F2410 HydrophobicContact CG-CB 4.49Å; F2390-F2410 HydrophobicContact CG-CG 4.41Å; F2390-L2412 HydrophobicContact CB-CD1 3.26Å; F2390-L2412 HydrophobicContact CB-CD2 3.49Å; F2390-L2412 VanDerWaalsContact CB-CD2 3.49Å; F2390-L2412 HydrophobicContact CB-CG 3.86Å; F2390-L2412 HydrophobicContact CD2-CD2 3.54Å; F2390-L2412 HydrophobicContact CE2-CD2 4.47Å; F2390-L2412 HydrophobicContact CG-CD1 4.43Å; F2390-L2412 HydrophobicContact CG-CD2 3.79Å; F2390-A2522 HydrophobicContact CE1-CB 3.68Å; F2390-A2522 HydrophobicContact CZ-CB 3.91Å; F2390-L2526 HydrophobicContact CE1-CD1 4.17Å; F2390-L2526 HydrophobicContact CZ-CD1 4.18Å; F2390-L2528 HydrophobicContact CE2-CD1 4.43Å; F2390-L2528 HydrophobicContact CZ-CD1 3.79Å
2391H76.5Confident77.6Confident82 Ų8234.7 Ų34.738%0.3817%0.166SC..Hα-helixtrans-60.3-40.4173.8-88.583.9000113.1S2387 Q2388 C2389 N2394 K2395 L2412S2387-H2391 PolarHBondContact O-N 3.48Å; S2387-H2391 PolarHBondContact O-ND1 3.22Å; Q2388-H2391 WeakPolarHBondContact O-CB 3.5Å; Q2388-H2391 PolarHBondContact O-N 2.85Å; C2389-H2391 PolarHBondContact O-N 2.88Å; H2391-N2394 PolarHBondContact O-N 2.88Å; H2391-K2395 PolarHBondContact O-N 3.29Å; H2391-L2412 WeakPolarHBondContact ND1-CD1 3.47Å
2392G74.1Confident77.7Confident14 Ų1435.7 Ų35.714%0.14417%0.172CC..Hα-helixtrans-72.3-34.5174.100000112.5Q2388 C2389 F2390 N2394 K2395 L2396Q2388-G2392 PolarHBondContact O-N 3.41Å; Q2388-G2392 VanDerWaalsContact O-N 3.16Å; C2389-G2392 PolarHBondContact O-N 3.39Å; F2390-G2392 VanDerWaalsContact C-N 3.33Å; F2390-G2392 PolarHBondContact O-N 2.92Å; G2392-N2394 VanDerWaalsContact C-N 3.33Å; G2392-N2394 PolarHBondContact O-N 3.04Å; G2392-K2395 WeakPolarHBondContact O-CB 3.45Å; G2392-K2395 PolarHBondContact O-N 3.33Å; G2392-K2395 VanDerWaalsContact O-N 3.08Å; G2392-L2396 PolarHBondContact O-N 3.25Å; G2392-L2396 VanDerWaalsContact O-N 3.08Å
2393F83.4Confident77.9Confident0 Ų035.6 Ų35.60%017%0.171CC..Hα-helixtrans-59.9-42.7169-62-27.4000111.9C2389 F2390 K2395 L2396 L2397 F2410 F2525 L2526 L2597 C2602 W2605 I2606C2389-F2393 WeakPolarHBondContact O-CG 3.43Å; C2389-F2393 PolarHBondContact O-N 3.23Å; C2389-F2393 WeakPolarHBondContact SG-CZ 3.42Å; F2390-F2393 AromaticContact CD1-CD2 3.72Å; F2390-F2393 HydrophobicContact CD1-CD2 3.72Å; F2390-F2393 HydrophobicContact CD1-CE2 4.18Å; F2390-F2393 HydrophobicContact CE1-CD2 4.28Å; F2390-F2393 HydrophobicContact CE1-CE2 4.41Å; F2390-F2393 WeakPolarHBondContact O-CB 3.19Å; F2390-F2393 PolarHBondContact O-N 3.39Å; F2393-K2395 PolarHBondContact O-N 3.11Å; F2393-L2396 HydrophobicContact CD1-CD1 4.46Å; F2393-L2396 CarbonylContact O-C 3.53Å; F2393-L2396 WeakPolarHBondContact O-CA 3.22Å; F2393-L2396 WeakPolarHBondContact O-CB 3.16Å; F2393-L2396 PolarHBondContact O-N 2.61Å; F2393-L2397 WeakPolarHBondContact O-CG 3.48Å; F2393-L2397 PolarHBondContact O-N 3.47Å; F2393-F2410 HydrophobicContact CB-CD2 4.22Å; F2393-F2410 HydrophobicContact CB-CE2 4.13Å; F2393-F2410 HydrophobicContact CD2-CE2 4.33Å; F2393-F2525 HydrophobicContact CD2-CZ 4.46Å; F2393-F2525 AromaticContact CE2-CZ 3.73Å; F2393-F2525 HydrophobicContact CE2-CZ 3.73Å; F2393-F2525 HydrophobicContact CZ-CE2 4.4Å; F2393-F2525 AromaticContact CZ-CZ 3.95Å; F2393-F2525 HydrophobicContact CZ-CZ 3.95Å; F2393-L2526 HydrophobicContact CE2-CD1 4.16Å; F2393-L2597 HydrophobicContact CB-CD2 4.17Å; F2393-L2597 HydrophobicContact CD1-CD1 4.17Å; F2393-L2597 HydrophobicContact CD1-CD2 3.56Å; F2393-L2597 HydrophobicContact CD2-CD1 4.39Å; F2393-L2597 HydrophobicContact CE1-CD1 4.28Å; F2393-L2597 HydrophobicContact CE1-CD2 4.18Å; F2393-L2597 HydrophobicContact CG-CD1 4.24Å; F2393-L2597 HydrophobicContact CG-CD2 3.98Å; F2393-L2597 HydrophobicContact CZ-CD1 4.47Å; F2393-C2602 HydrophobicContact CE1-CB 4.22Å; F2393-W2605 HydrophobicContact CD1-CE3 4.08Å; F2393-W2605 AromaticContact CD1-CZ3 3.6Å; F2393-W2605 HydrophobicContact CD1-CZ3 3.6Å; F2393-W2605 AromaticContact CE1-CE3 3.7Å; F2393-W2605 HydrophobicContact CE1-CE3 3.7Å; F2393-W2605 AromaticContact CE1-CZ3 3.52Å; F2393-W2605 HydrophobicContact CE1-CZ3 3.52Å; F2393-W2605 HydrophobicContact CG-CZ3 4.31Å; F2393-W2605 HydrophobicContact CZ-CE3 4.47Å; F2393-W2605 HydrophobicContact CZ-CZ3 4.15Å; F2393-I2606 HydrophobicContact CE1-CD1 4.24Å; F2393-I2606 HydrophobicContact CE1-CG1 4.18Å; F2393-I2606 HydrophobicContact CZ-CD1 3.89Å; F2393-I2606 HydrophobicContact CZ-CG1 3.91Å
2394N84Confident77.9Confident13 Ų1335.5 Ų35.57%0.0717%0.173CC..Hα-helixtrans-58.8-32.7173.8-76.6-15.2000112.7F2390 H2391 G2392 R2398 Q2409 F2410F2390-N2394 PolarHBondContact O-N 3.35Å; H2391-N2394 PolarHBondContact O-N 2.88Å; G2392-N2394 VanDerWaalsContact C-N 3.33Å; G2392-N2394 PolarHBondContact O-N 3.04Å; N2394-R2398 WeakPolarHBondContact O-CD 3.29Å; N2394-R2398 WeakPolarHBondContact O-CG 3.33Å; N2394-R2398 PolarHBondContact O-N 2.98Å; N2394-Q2409 WeakPolarHBondContact OD1-CA 3.33Å; N2394-F2410 PolarHBondContact ND2-O 3.24Å; N2394-F2410 PolarHBondContact OD1-N 2.93Å
2395K76.4Confident77.9Confident147 Ų14737 Ų3764%0.63918%0.184SC*.Hα-helixtrans-70.8-32.3173.8-169.7-177.4175.8-171.70112.3H2391 G2392 F2393 Q2399H2391-K2395 PolarHBondContact O-N 3.29Å; G2392-K2395 WeakPolarHBondContact O-CB 3.45Å; G2392-K2395 PolarHBondContact O-N 3.33Å; G2392-K2395 VanDerWaalsContact O-N 3.08Å; F2393-K2395 PolarHBondContact O-N 3.11Å; K2395-Q2399 WeakPolarHBondContact O-CG 3.49Å; K2395-Q2399 PolarHBondContact O-NE2 2.82Å
2396L77.6Confident78.1Confident16 Ų1637.7 Ų37.78%0.08419%0.187CC..Hα-helixtrans-74.4-45.8173.7-62.6176.8000111.1G2392 F2393 R2398 Q2399 V2596 L2597 H2600 C2602G2392-L2396 PolarHBondContact O-N 3.25Å; G2392-L2396 VanDerWaalsContact O-N 3.08Å; F2393-L2396 HydrophobicContact CD1-CD1 4.46Å; F2393-L2396 CarbonylContact O-C 3.53Å; F2393-L2396 WeakPolarHBondContact O-CA 3.22Å; F2393-L2396 WeakPolarHBondContact O-CB 3.16Å; F2393-L2396 PolarHBondContact O-N 2.61Å; L2396-R2398 PolarHBondContact O-N 3.28Å; L2396-R2398 VanDerWaalsContact O-N 3.1Å; L2396-Q2399 WeakPolarHBondContact O-CB 3.21Å; L2396-Q2399 PolarHBondContact O-N 2.9Å; L2396-V2596 HydrophobicContact CB-CG1 4.41Å; L2396-L2597 HydrophobicContact CB-CD2 4.46Å; L2396-L2597 HydrophobicContact CD1-CD2 3.99Å; L2396-H2600 HydrophobicContact CD1-CB 4.3Å; L2396-H2600 HydrophobicContact CD2-CB 4.06Å; L2396-C2602 HydrophobicContact CD1-CB 4.24Å
2397L80.5Confident78.1Confident2 Ų239.4 Ų39.41%0.0120%0.196CC..Hα-helixtrans-56.3-27.4174.7-69.1172.6000113F2393 Q2399 S2403 F2410 V2596F2393-L2397 WeakPolarHBondContact O-CG 3.48Å; F2393-L2397 PolarHBondContact O-N 3.47Å; L2397-Q2399 VanDerWaalsContact C-N 3.29Å; L2397-Q2399 PolarHBondContact O-N 2.84Å; L2397-S2403 VanDerWaalsContact O-CB 3.31Å; L2397-S2403 WeakPolarHBondContact O-CB 3.46Å; L2397-S2403 PolarHBondContact O-OG 2.93Å; L2397-F2410 HydrophobicContact CD1-CD2 3.94Å; L2397-F2410 HydrophobicContact CD1-CE2 3.93Å; L2397-V2596 HydrophobicContact CD2-CB 4.06Å; L2397-V2596 HydrophobicContact CD2-CG1 4.07Å; L2397-V2596 HydrophobicContact CD2-CG2 4.24Å
2398R75.6Confident78.4Confident116 Ų11639 Ų3944%0.43819%0.192SC..THydrogen-bonded Turntrans-79.7-5.3175.7-72.4168.7-175.9-178.72.9114.5N2394 L2396N2394-R2398 WeakPolarHBondContact O-CD 3.29Å; N2394-R2398 WeakPolarHBondContact O-CG 3.33Å; N2394-R2398 PolarHBondContact O-N 2.98Å; L2396-R2398 PolarHBondContact O-N 3.28Å; L2396-R2398 VanDerWaalsContact O-N 3.1Å
2399Q74.8Confident78.9Confident86 Ų8638.3 Ų38.340%0.40219%0.189SC..THydrogen-bonded Turntrans-98.9-17-176.6-67.6174.64000114L1972 K2395 L2396 L2397 H2600L1972-Q2399 WeakPolarHBondContact CD1-O 3.45Å; K2395-Q2399 WeakPolarHBondContact O-CG 3.49Å; K2395-Q2399 PolarHBondContact O-NE2 2.82Å; L2396-Q2399 WeakPolarHBondContact O-CB 3.21Å; L2396-Q2399 PolarHBondContact O-N 2.9Å; L2397-Q2399 VanDerWaalsContact C-N 3.29Å; L2397-Q2399 PolarHBondContact O-N 2.84Å; Q2399-H2600 PolarHBondContact OE1-CE1 3.31Å
2400D75.7Confident79.2Confident46 Ų4638.7 Ų38.725%0.24619%0.191CC..SBendtrans-106.3148.9178.6-83.2-17.4000111.9S2403 V2404 V2596 S2599 H2600D2400-S2403 PolarHBondContact O-OG 2.96Å; D2400-V2404 WeakPolarHBondContact O-CB 3.42Å; D2400-V2404 WeakPolarHBondContact O-CG2 3.4Å; D2400-V2404 PolarHBondContact O-N 3.01Å; D2400-V2596 HydrophobicContact CB-CG1 4.29Å; D2400-V2596 HydrophobicContact CB-CG2 3.7Å; D2400-V2596 WeakPolarHBondContact OD2-CG2 3.44Å; D2400-S2599 PolarHBondContact OD2-OG 3.4Å; D2400-H2600 IonicContact OD1-NE2 2.66Å; D2400-H2600 IonicContact OD2-CD2 3.01Å; D2400-H2600 IonicContact OD2-NE2 2.68Å
2401Q74.7Confident79.1Confident40 Ų4041.3 Ų41.319%0.18720%0.203CC..Hα-helixtrans-70.3-42.5-175.8-177.3-175.3-8.100112.4L1972 L2026 S2403 V2404 S2405L1972-Q2401 HydrophobicContact CD2-CB 4.27Å; L2026-Q2401 HydrophobicContact CD2-CG 4.04Å; Q2401-S2403 VanDerWaalsContact C-N 3.29Å; Q2401-S2403 PolarHBondContact O-N 2.79Å; Q2401-V2404 PolarHBondContact O-N 3.26Å; Q2401-S2405 WeakPolarHBondContact O-CB 3.32Å; Q2401-S2405 PolarHBondContact O-N 2.94Å; Q2401-S2405 PolarHBondContact O-OG 3.08Å
2402D76.3Confident79Confident45 Ų4538.4 Ų38.424%0.24119%0.19CC..Hα-helixtrans-63.5-33.1-174.3-76.1-15.6000113.6S2405 R2406D2402-S2405 PolarHBondContact O-OG 3.34Å; D2402-R2406 PolarHBondContact O-NH1 3.11Å
2403S81.3Confident79Confident0 Ų038.5 Ų38.50%019%0.188CC..Hα-helixtrans-81.5-37.9175.442.60000112L2397 D2400 Q2401 N2407 L2408L2397-S2403 VanDerWaalsContact O-CB 3.31Å; L2397-S2403 WeakPolarHBondContact O-CB 3.46Å; L2397-S2403 PolarHBondContact O-OG 2.93Å; D2400-S2403 PolarHBondContact O-OG 2.96Å; Q2401-S2403 VanDerWaalsContact C-N 3.29Å; Q2401-S2403 PolarHBondContact O-N 2.79Å; S2403-N2407 PolarHBondContact O-N 3.48Å; S2403-L2408 PolarHBondContact O-N 2.95Å
2404V78.6Confident78.6Confident31 Ų3140.4 Ų40.419%0.18820%0.198CC..Hα-helixtrans-71.1-38.7-179.6171.40000112.2L1972 C1973 D2400 Q2401 R2406 N2407L1972-V2404 HydrophobicContact CB-CG1 4.49Å; C1973-V2404 HydrophobicContact CB-CG1 4.16Å; C1973-V2404 WeakPolarHBondContact SG-CG1 3.17Å; D2400-V2404 WeakPolarHBondContact O-CB 3.42Å; D2400-V2404 WeakPolarHBondContact O-CG2 3.4Å; D2400-V2404 PolarHBondContact O-N 3.01Å; Q2401-V2404 PolarHBondContact O-N 3.26Å; V2404-R2406 PolarHBondContact O-N 3.35Å; V2404-N2407 PolarHBondContact O-N 3.17Å
2405S74.6Confident78.3Confident67 Ų6740.2 Ų40.247%0.46920%0.199SC..Hα-helixtrans-63.3-32.517863.10000112.6Q2401 D2402Q2401-S2405 WeakPolarHBondContact O-CB 3.32Å; Q2401-S2405 PolarHBondContact O-N 2.94Å; Q2401-S2405 PolarHBondContact O-OG 3.08Å; D2402-S2405 PolarHBondContact O-OG 3.34Å
2406R80.9Confident78.4Confident28 Ų2833.2 Ų33.211%0.10617%0.168CC..THydrogen-bonded Turntrans-90-4.8174.6-68.7174.8-179.791.82.5113.7D1746 Q1769 D2402 V2404 L2408 Y2514D1746-R2406 IonicContact OD1-CZ 3.31Å; D1746-R2406 IonicContact OD1-NE 2.92Å; D1746-R2406 IonicContact OD1-NH2 3.09Å; D1746-R2406 PolarHBondContact OD1-NH2 3.45Å; D1746-R2406 IonicContact OD2-CZ 2.7Å; D1746-R2406 IonicContact OD2-NE 2.82Å; D1746-R2406 PolarHBondContact OD2-NE 2.91Å; D1746-R2406 IonicContact OD2-NH2 2.81Å; Q1769-R2406 PolarHBondContact O-NH2 2.84Å; D2402-R2406 PolarHBondContact O-NH1 3.11Å; V2404-R2406 PolarHBondContact O-N 3.35Å; R2406-L2408 VanDerWaalsContact C-N 3.28Å; R2406-L2408 HydrophobicContact CB-CD1 4.29Å; R2406-L2408 HydrophobicContact CB-CD2 4.03Å; R2406-L2408 HydrophobicContact CB-CG 3.74Å; R2406-L2408 PolarHBondContact O-N 3.02Å; R2406-Y2514 HydrophobicContact CB-CE1 4.24Å; R2406-Y2514 HydrophobicContact CG-CE1 4.31Å
2407N80.7Confident78.3Confident42 Ų4233 Ų3323%0.22517%0.168CC..THydrogen-bonded Turntrans53.342.7-175.6-167.346.6000113.3R39 S2403 V2404 Q2409R39-N2407 PolarHBondContact O-ND2 3.36Å; S2403-N2407 PolarHBondContact O-N 3.48Å; V2404-N2407 PolarHBondContact O-N 3.17Å; N2407-Q2409 PolarHBondContact O-N 2.98Å
2408L85.4Confident78Confident8 Ų833 Ų334%0.04217%0.168CC..  trans-72.6120.2179.6-63.3-177.2000110.9S2403 R2406 Y2514 L2518 A2589 A2592S2403-L2408 PolarHBondContact O-N 2.95Å; R2406-L2408 VanDerWaalsContact C-N 3.28Å; R2406-L2408 HydrophobicContact CB-CD1 4.29Å; R2406-L2408 HydrophobicContact CB-CD2 4.03Å; R2406-L2408 HydrophobicContact CB-CG 3.74Å; R2406-L2408 PolarHBondContact O-N 3.02Å; L2408-Y2514 HydrophobicContact CD2-CD1 3.67Å; L2408-Y2514 HydrophobicContact CD2-CE1 4.34Å; L2408-Y2514 HydrophobicContact CD2-CG 4.11Å; L2408-L2518 HydrophobicContact CB-CD1 3.97Å; L2408-L2518 HydrophobicContact CD2-CD1 4.07Å; L2408-L2518 HydrophobicContact CD2-CG 4.41Å; L2408-A2589 HydrophobicContact CD1-CB 4.33Å; L2408-A2589 HydrophobicContact CD2-CB 3.88Å; L2408-A2592 HydrophobicContact CD1-CB 3.8Å
2409Q85.5Confident77.9Confident18 Ų1827.8 Ų27.88%0.08415%0.15CC..  trans-148.5143.3169.759.7-176.22.400109.5N2394 N2407 E2411N2394-Q2409 WeakPolarHBondContact OD1-CA 3.33Å; N2407-Q2409 PolarHBondContact O-N 2.98Å; Q2409-E2411 PolarHBondContact O-N 2.85Å
2410F85.3Confident77.6Confident8 Ų825.7 Ų25.74%0.03514%0.144CC..  trans-69.8116166.4-67.8-76.4000108.5F2390 F2393 N2394 L2397 L2412 L2518 F2521 A2522F2390-F2410 HydrophobicContact CB-CB 4.21Å; F2390-F2410 HydrophobicContact CB-CG 4.48Å; F2390-F2410 HydrophobicContact CD1-CB 4.32Å; F2390-F2410 AromaticContact CD1-CD1 3.95Å; F2390-F2410 HydrophobicContact CD1-CD1 3.95Å; F2390-F2410 AromaticContact CD1-CD2 3.87Å; F2390-F2410 HydrophobicContact CD1-CD2 3.87Å; F2390-F2410 HydrophobicContact CD1-CE1 4.2Å; F2390-F2410 HydrophobicContact CD1-CE2 4.12Å; F2390-F2410 AromaticContact CD1-CG 3.77Å; F2390-F2410 HydrophobicContact CD1-CG 3.77Å; F2390-F2410 HydrophobicContact CD1-CZ 4.28Å; F2390-F2410 HydrophobicContact CE1-CD1 4.09Å; F2390-F2410 HydrophobicContact CE1-CE1 4.01Å; F2390-F2410 HydrophobicContact CE1-CG 4.37Å; F2390-F2410 HydrophobicContact CE1-CZ 4.23Å; F2390-F2410 HydrophobicContact CG-CB 4.49Å; F2390-F2410 HydrophobicContact CG-CG 4.41Å; F2393-F2410 HydrophobicContact CB-CD2 4.22Å; F2393-F2410 HydrophobicContact CB-CE2 4.13Å; F2393-F2410 HydrophobicContact CD2-CE2 4.33Å; N2394-F2410 PolarHBondContact ND2-O 3.24Å; N2394-F2410 PolarHBondContact OD1-N 2.93Å; L2397-F2410 HydrophobicContact CD1-CD2 3.94Å; L2397-F2410 HydrophobicContact CD1-CE2 3.93Å; F2410-L2412 HydrophobicContact CB-CG 4.31Å; F2410-L2412 PolarHBondContact O-N 3.3Å; F2410-L2518 HydrophobicContact CD1-CB 4.24Å; F2410-L2518 HydrophobicContact CE1-CB 3.87Å; F2410-L2518 WeakPolarHBondContact CE1-O 3.24Å; F2410-L2518 HydrophobicContact CZ-CB 4.43Å; F2410-L2518 HydrophobicContact CZ-CD2 4.25Å; F2410-F2521 AromaticContact CZ-CD1 3.94Å; F2410-F2521 HydrophobicContact CZ-CD1 3.94Å; F2410-F2521 HydrophobicContact CZ-CE1 4.06Å; F2410-A2522 HydrophobicContact CE1-CB 3.68Å; F2410-A2522 HydrophobicContact CZ-CB 4.11Å
2411E79.3Confident77.5Confident59 Ų5928.8 Ų28.828%0.27616%0.156SC..  trans-77.8118170.5-95.2-64.5174.400110.2Q2409 F2544Q2409-E2411 PolarHBondContact O-N 2.85Å; E2411-F2544 HydrophobicContact CG-CB 4Å; E2411-F2544 HydrophobicContact CG-CD1 3.57Å; E2411-F2544 HydrophobicContact CG-CD2 4.18Å; E2411-F2544 HydrophobicContact CG-CE1 3.94Å; E2411-F2544 HydrophobicContact CG-CG 3.7Å; E2411-F2544 HydrophobicContact CG-CZ 4.37Å
2412L75.1Confident77.8Confident21 Ų2127.7 Ų27.711%0.1115%0.151CC..  trans-122.3126.6-172.6-61.4159.7000108.2S2387 F2390 H2391 F2410 D2414S2387-L2412 WeakPolarHBondContact O-CD1 3.47Å; F2390-L2412 HydrophobicContact CB-CD1 3.26Å; F2390-L2412 HydrophobicContact CB-CD2 3.49Å; F2390-L2412 VanDerWaalsContact CB-CD2 3.49Å; F2390-L2412 HydrophobicContact CB-CG 3.86Å; F2390-L2412 HydrophobicContact CD2-CD2 3.54Å; F2390-L2412 HydrophobicContact CE2-CD2 4.47Å; F2390-L2412 HydrophobicContact CG-CD1 4.43Å; F2390-L2412 HydrophobicContact CG-CD2 3.79Å; H2391-L2412 WeakPolarHBondContact ND1-CD1 3.47Å; F2410-L2412 HydrophobicContact CB-CG 4.31Å; F2410-L2412 PolarHBondContact O-N 3.3Å; L2412-D2414 PolarHBondContact O-N 2.7Å
2413P73.6Confident78.1Confident16 Ų1625.6 Ų25.610%0.10414%0.14CC..  trans-71.5127.817430.4-31.7000109.2A2415 I2425 T2547 F2548P2413-A2415 PolarHBondContact O-N 3.42Å; P2413-I2425 HydrophobicContact CB-CG2 3.64Å; P2413-I2425 HydrophobicContact CG-CG2 4.44Å; P2413-T2547 WeakPolarHBondContact CD-O 3.32Å; P2413-F2548 HydrophobicContact CG-CB 3.73Å; P2413-F2548 HydrophobicContact CG-CD2 4.32Å; P2413-F2548 HydrophobicContact CG-CG 4.41Å
2414D75Confident78.2Confident40 Ų4025.7 Ų25.721%0.21414%0.14CC..  trans-68.8105175.8-73.3-35.2000109.4H2323 L2412 I2425 L2426H2323-D2414 HydrophobicContact CB-CB 3.89Å; H2323-D2414 IonicContact CD2-OD2 3.72Å; L2412-D2414 PolarHBondContact O-N 2.7Å; D2414-I2425 WeakPolarHBondContact O-CA 3.46Å; D2414-L2426 HydrophobicContact CB-CB 3.91Å; D2414-L2426 HydrophobicContact CB-CD2 4.33Å; D2414-L2426 PolarHBondContact O-N 3.49Å
2415A77.3Confident78.4Confident9 Ų924.4 Ų24.47%0.07413%0.132CC..EExtended strand (participates in β ladder)trans-106.4119-177.600000111.8I2326 P2413 P2417 T2423 L2424 I2425 F2548I2326-A2415 WeakPolarHBondContact CD1-O 3.43Å; P2413-A2415 PolarHBondContact O-N 3.42Å; A2415-P2417 WeakPolarHBondContact O-CD 3.47Å; A2415-T2423 HydrophobicContact CB-CG2 4Å; A2415-L2424 CarbonylContact C-O 3.53Å; A2415-L2424 WeakPolarHBondContact CA-O 3.32Å; A2415-I2425 HydrophobicContact CB-CG1 4.19Å; A2415-F2548 HydrophobicContact CB-CD2 3.71Å; A2415-F2548 HydrophobicContact CB-CE1 4.09Å; A2415-F2548 HydrophobicContact CB-CE2 3.11Å; A2415-F2548 HydrophobicContact CB-CG 4.42Å; A2415-F2548 HydrophobicContact CB-CZ 3.33Å
2416I79.2Confident78.8Confident0 Ų023.4 Ų23.40%012%0.122CC..EExtended strand (participates in β ladder)trans-112.9100.3-173.1-48.3131000109.4P2322 H2323 W2325 I2326 Y2369 L2418 L2424P2322-I2416 VanDerWaalsContact C-CD1 3.5Å; P2322-I2416 HydrophobicContact CB-CD1 3.66Å; H2323-I2416 HydrophobicContact CB-CD1 4.16Å; W2325-I2416 HydrophobicContact CE3-CG2 3.89Å; W2325-I2416 HydrophobicContact CZ3-CG2 4.38Å; I2326-I2416 HydrophobicContact CD1-CB 4.06Å; I2326-I2416 HydrophobicContact CD1-CG1 3.51Å; I2326-I2416 HydrophobicContact CD1-CG2 4.4Å; I2326-I2416 HydrophobicContact CG1-CG1 4.29Å; Y2369-I2416 HydrophobicContact CD1-CD1 4.11Å; Y2369-I2416 HydrophobicContact CE1-CD1 3.67Å; I2416-L2418 PolarHBondContact O-N 3.47Å; I2416-L2424 HydrophobicContact CB-CB 4.25Å; I2416-L2424 HydrophobicContact CD1-CB 4.22Å; I2416-L2424 PolarHBondContact N-O 3.5Å; I2416-L2424 PolarHBondContact O-N 2.96Å
2417P74.9Confident78.6Confident12 Ų1222.8 Ų22.88%0.07812%0.121CC..EExtended strand (participates in β ladder)trans-66117.2172.120.4-29.9000111.1I2151 V2380 A2415I2151-P2417 HydrophobicContact CD1-CB 3.74Å; I2151-P2417 HydrophobicContact CD1-CG 3.34Å; I2151-P2417 HydrophobicContact CG1-CB 4.13Å; I2151-P2417 HydrophobicContact CG1-CG 4.27Å; V2380-P2417 HydrophobicContact CG1-CB 4.18Å; A2415-P2417 WeakPolarHBondContact O-CD 3.47Å
2418L74.7Confident78.2Confident2 Ų223.5 Ų23.51%0.0113%0.125CC..  trans-87.1-17.4175.7-72.1173.5000112.4L2193 I2194 W2325 L2371 I2416 H2422 L2424L2193-L2418 HydrophobicContact CB-CD1 4.43Å; L2193-L2418 HydrophobicContact CD2-CD1 4.5Å; I2194-L2418 HydrophobicContact CD1-CB 4.28Å; W2325-L2418 HydrophobicContact CZ3-CD2 4.07Å; L2371-L2418 HydrophobicContact CD1-CD1 3.89Å; I2416-L2418 PolarHBondContact O-N 3.47Å; L2418-H2422 PolarHBondContact N-O 2.99Å; L2418-L2424 HydrophobicContact CD1-CD1 3.56Å; L2418-L2424 HydrophobicContact CD1-CG 3.65Å; L2418-L2424 HydrophobicContact CD2-CD1 4.03Å; L2418-L2424 HydrophobicContact CG-CD1 3.9Å; L2418-L2424 HydrophobicContact CG-CG 4.14Å
2419G72.7Confident77.5Confident6 Ų626.5 Ų26.56%0.06214%0.144CC..SBendtrans-179.7-169.5-178.700000111.4H2421G2419-H2421 VanDerWaalsContact C-N 3.3Å; G2419-H2421 PolarHBondContact O-N 2.94Å
2420P68.1Low77.1Confident41 Ų4128.8 Ų28.827%0.26616%0.155SC..SBendtrans-68.1-27.5-176.323.9-31.2000114.5L2377L2377-P2420 HydrophobicContact CB-CB 4.48Å; L2377-P2420 HydrophobicContact CD1-CB 3.95Å
2421H75.1Confident76.7Confident111 Ų11129.3 Ų29.351%0.51416%0.159SC..SBendtrans-109.4-8.2-173.3-56.6-64.4000114.3E2373 N2374 G2419E2373-H2421 CarbonylContact C-O 3.59Å; E2373-H2421 VanDerWaalsContact CA-O 3.31Å; E2373-H2421 WeakPolarHBondContact CA-O 3.47Å; E2373-H2421 WeakPolarHBondContact CG-O 3.44Å; N2374-H2421 PolarHBondContact N-O 3.37Å; G2419-H2421 VanDerWaalsContact C-N 3.3Å; G2419-H2421 PolarHBondContact O-N 2.94Å
2422H80.6Confident76.7Confident18 Ų1829.4 Ų29.48%0.08316%0.158CC..EExtended strand (participates in β ladder)trans-137134.8-172.2-62.789.8000113.2A2198 I2372 E2373 N2374 L2418A2198-H2422 WeakPolarHBondContact CB-NE2 3.44Å; I2372-H2422 WeakPolarHBondContact O-CA 3.19Å; E2373-H2422 IonicContact OE1-NE2 2.7Å; N2374-H2422 PolarHBondContact ND2-N 3.4Å; L2418-H2422 PolarHBondContact N-O 2.99Å
2423T81.5Confident77.1Confident0 Ų029.2 Ų29.20%016%0.159CC..EExtended strand (participates in β ladder)trans-126.9134.5176.4-470000110.7I2372 N2374 A2415 I2425I2372-T2423 PolarHBondContact N-O 3.34Å; I2372-T2423 PolarHBondContact O-N 3.05Å; N2374-T2423 PolarHBondContact ND2-OG1 3.02Å; N2374-T2423 PolarHBondContact OD1-OG1 2.79Å; A2415-T2423 HydrophobicContact CB-CG2 4Å; T2423-I2425 HydrophobicContact CG2-CG1 4.4Å
2424L84.2Confident77.6Confident2 Ų228.8 Ų28.81%0.0116%0.156CC..EExtended strand (participates in β ladder)trans-91.4127.7168-77.2169.7000109.9Y2369 M2370 L2371 A2415 I2416 L2418Y2369-L2424 HydrophobicContact CD1-CB 4.35Å; Y2369-L2424 HydrophobicContact CG-CD2 4.5Å; M2370-L2424 CarbonylContact O-C 3.6Å; M2370-L2424 WeakPolarHBondContact O-CA 3.47Å; L2371-L2424 HydrophobicContact CB-CD2 4.16Å; L2371-L2424 HydrophobicContact CD1-CD2 3.42Å; L2371-L2424 VanDerWaalsContact CD1-CD2 3.42Å; L2371-L2424 HydrophobicContact CD1-CG 3.79Å; L2371-L2424 HydrophobicContact CG-CD2 4.42Å; A2415-L2424 CarbonylContact C-O 3.53Å; A2415-L2424 WeakPolarHBondContact CA-O 3.32Å; I2416-L2424 HydrophobicContact CB-CB 4.25Å; I2416-L2424 HydrophobicContact CD1-CB 4.22Å; I2416-L2424 PolarHBondContact N-O 3.5Å; I2416-L2424 PolarHBondContact O-N 2.96Å; L2418-L2424 HydrophobicContact CD1-CD1 3.56Å; L2418-L2424 HydrophobicContact CD1-CG 3.65Å; L2418-L2424 HydrophobicContact CD2-CD1 4.03Å; L2418-L2424 HydrophobicContact CG-CD1 3.9Å; L2418-L2424 HydrophobicContact CG-CG 4.14Å
2425I83.1Confident77.9Confident4 Ų428.1 Ų28.12%0.02115%0.152CC..EExtended strand (participates in β ladder)trans-115.1121.9176.7-56.2-166.8000109.7Y2369 M2370 I2372 P2413 D2414 A2415 T2423 C2427 F2548Y2369-I2425 CarbonylContact C-O 3.52Å; Y2369-I2425 VanDerWaalsContact CA-O 3.29Å; Y2369-I2425 WeakPolarHBondContact CA-O 3.43Å; M2370-I2425 HydrophobicContact CE-CG2 4.47Å; M2370-I2425 PolarHBondContact N-O 3.42Å; M2370-I2425 PolarHBondContact O-N 3.44Å; I2372-I2425 HydrophobicContact CD1-CD1 3.48Å; I2372-I2425 VanDerWaalsContact CD1-CD1 3.48Å; I2372-I2425 HydrophobicContact CD1-CG1 4.04Å; P2413-I2425 HydrophobicContact CB-CG2 3.64Å; P2413-I2425 HydrophobicContact CG-CG2 4.44Å; D2414-I2425 WeakPolarHBondContact O-CA 3.46Å; A2415-I2425 HydrophobicContact CB-CG1 4.19Å; T2423-I2425 HydrophobicContact CG2-CG1 4.4Å; I2425-C2427 PolarHBondContact O-N 3.2Å; I2425-F2548 HydrophobicContact CD1-CB 4.2Å; I2425-F2548 HydrophobicContact CD1-CD1 3.4Å; I2425-F2548 HydrophobicContact CD1-CE1 3.91Å; I2425-F2548 HydrophobicContact CD1-CG 3.84Å
2426L82.6Confident78Confident47 Ų4729.5 Ų29.525%0.24616%0.161CC..EExtended strand (participates in β ladder)trans-62.9130.3173.8-17671000110.2Y2367 Y2369 D2414Y2367-L2426 HydrophobicContact CD1-CD1 4.2Å; Y2369-L2426 HydrophobicContact CD1-CB 4.2Å; Y2369-L2426 HydrophobicContact CD1-CD1 4.19Å; Y2369-L2426 HydrophobicContact CE1-CB 3.9Å; Y2369-L2426 HydrophobicContact CE1-CD1 3.62Å; Y2369-L2426 HydrophobicContact CE1-CG 4.36Å; Y2369-L2426 HydrophobicContact CE2-CD1 4.36Å; D2414-L2426 HydrophobicContact CB-CB 3.91Å; D2414-L2426 HydrophobicContact CB-CD2 4.33Å; D2414-L2426 PolarHBondContact O-N 3.49Å
2427C75.9Confident78Confident14 Ų1429.5 Ų29.510%0.09516%0.161CC..EExtended strand (participates in β ladder)trans-142.7143-1711730000110.6S2368 M2370 I2425 T2431S2368-C2427 WeakPolarHBondContact CB-O 3.41Å; S2368-C2427 PolarHBondContact O-N 3.09Å; S2368-C2427 VanDerWaalsContact O-O 3.07Å; M2370-C2427 HydrophobicContact CE-CB 3.91Å; M2370-C2427 HydrophobicContact CG-CB 3.8Å; M2370-C2427 HydrophobicContact SD-CB 4.09Å; M2370-C2427 VanDerWaalsContact SD-SG 3.64Å; I2425-C2427 PolarHBondContact O-N 3.2Å; C2427-T2431 PolarHBondContact SG-OG1 3.44Å
2428N74.3Confident78.3Confident57 Ų5728.9 Ų28.931%0.30516%0.157SC..  trans-88.4140.1166.8179.413.6000109.2Q2430 T2431 S2539 S2541N2428-Q2430 PolarHBondContact O-N 2.85Å; N2428-Q2430 VanDerWaalsContact O-N 3.09Å; N2428-T2431 HydrophobicContact CB-CG2 3.91Å; N2428-T2431 WeakPolarHBondContact O-CB 3.31Å; N2428-T2431 WeakPolarHBondContact O-CG2 3.38Å; N2428-T2431 PolarHBondContact O-N 3.22Å; N2428-T2431 PolarHBondContact O-OG1 3.19Å; N2428-S2539 PolarHBondContact ND2-OG 3.06Å; N2428-S2541 PolarHBondContact ND2-OG 3.16Å
2429T70.5Confident78.4Confident72 Ų7230 Ų3044%0.44217%0.167SC..THydrogen-bonded Turntrans-60.5-25.7-174.852.90000113.4R2356R2356-T2429 PolarHBondContact NH1-O 3.08Å
2430Q75.5Confident78.4Confident66 Ų6631.9 Ų31.931%0.30817%0.174SC..THydrogen-bonded Turntrans-90.611.8176.4-64.8-172-17.700114.1N2428 M2540N2428-Q2430 PolarHBondContact O-N 2.85Å; N2428-Q2430 VanDerWaalsContact O-N 3.09Å; Q2430-M2540 HydrophobicContact CB-CB 4.32Å; Q2430-M2540 WeakPolarHBondContact O-CB 3.37Å; Q2430-M2540 VanDerWaalsContact O-CG 3.31Å; Q2430-M2540 WeakPolarHBondContact O-CG 3.45Å; Q2430-M2540 PolarHBondContact O-N 3.11Å; Q2430-M2540 VanDerWaalsContact O-N 3.12Å
2431T77.5Confident78.6Confident19 Ų1930.8 Ų30.812%0.11717%0.168CC..EExtended strand (participates in β ladder)trans-77.3131.3173.1540000110.5C2427 N2428 I2538C2427-T2431 PolarHBondContact SG-OG1 3.44Å; N2428-T2431 HydrophobicContact CB-CG2 3.91Å; N2428-T2431 WeakPolarHBondContact O-CB 3.31Å; N2428-T2431 WeakPolarHBondContact O-CG2 3.38Å; N2428-T2431 PolarHBondContact O-N 3.22Å; N2428-T2431 PolarHBondContact O-OG1 3.19Å; T2431-I2538 VanDerWaalsContact CA-O 3.32Å; T2431-I2538 WeakPolarHBondContact CA-O 3.43Å
2432K79.6Confident78.5Confident60 Ų6026.1 Ų26.126%0.26115%0.146SC..EExtended strand (participates in β ladder)trans-128.6145.8174.5-70-168.6174.6-167.60109.5L2437 E2440 I2538K2432-L2437 HydrophobicContact CB-CD2 4.21Å; K2432-L2437 HydrophobicContact CB-CG 4.32Å; K2432-L2437 HydrophobicContact CD-CD2 3.77Å; K2432-E2440 IonicContact NZ-OE1 3.9Å; K2432-E2440 PolarHBondContact NZ-OE1 3.07Å; K2432-E2440 IonicContact NZ-OE2 3.87Å; K2432-I2538 PolarHBondContact N-O 3.42Å; K2432-I2538 PolarHBondContact O-N 3.21Å
2433S82.4Confident77.9Confident18 Ų1830.1 Ų30.113%0.12617%0.165CC..EExtended strand (participates in β ladder)trans-66.8147.3168.260.40000110.2L2435 S2436 L2437 E2534 L2536S2433-L2435 PolarHBondContact O-N 3.48Å; S2433-S2436 PolarHBondContact O-N 2.84Å; S2433-S2436 PolarHBondContact O-OG 2.86Å; S2433-S2436 VanDerWaalsContact OG-CB 3.26Å; S2433-S2436 WeakPolarHBondContact OG-CB 3.43Å; S2433-S2436 PolarHBondContact OG-N 2.95Å; S2433-S2436 VanDerWaalsContact OG-N 3.17Å; S2433-S2436 PolarHBondContact OG-OG 3.47Å; S2433-L2437 PolarHBondContact O-N 3.19Å; S2433-E2534 WeakPolarHBondContact CB-O 3.24Å; S2433-L2536 CarbonylContact C-O 3.47Å; S2433-L2536 WeakPolarHBondContact CA-O 3.5Å
2434I84.4Confident77Confident7 Ų734.4 Ų34.44%0.03618%0.181CC..Hα-helixtrans-60.3-37.8174.6-62.6179.5000110.9S2436 L2437 F2438 F2491 L2533 L2536 I2538I2434-S2436 PolarHBondContact O-N 3.12Å; I2434-L2437 WeakPolarHBondContact O-CB 3.32Å; I2434-L2437 PolarHBondContact O-N 3.05Å; I2434-L2437 VanDerWaalsContact O-N 3.14Å; I2434-F2438 HydrophobicContact CG2-CD2 3.77Å; I2434-F2438 HydrophobicContact CG2-CE2 3.53Å; I2434-F2438 WeakPolarHBondContact O-CD2 3.28Å; I2434-F2438 PolarHBondContact O-N 2.89Å; I2434-F2438 VanDerWaalsContact O-N 3.14Å; I2434-F2491 HydrophobicContact CG2-CE2 4.23Å; I2434-L2533 HydrophobicContact CB-CD2 4.35Å; I2434-L2533 HydrophobicContact CG2-CD2 3.89Å; I2434-L2533 PolarHBondContact N-O 3.32Å; I2434-L2536 HydrophobicContact CD1-CB 3.6Å; I2434-L2536 HydrophobicContact CD1-CD1 3.88Å; I2434-L2536 HydrophobicContact CD1-CG 4.37Å; I2434-L2536 HydrophobicContact CG1-CB 4Å; I2434-L2536 PolarHBondContact N-O 3.32Å; I2434-I2538 HydrophobicContact CD1-CD1 3.68Å; I2434-I2538 HydrophobicContact CD1-CG1 4.02Å; I2434-I2538 HydrophobicContact CG1-CD1 3.49Å; I2434-I2538 VanDerWaalsContact CG1-CD1 3.49Å; I2434-I2538 HydrophobicContact CG1-CG1 3.66Å
2435L82.6Confident76.1Confident26 Ų2636.2 Ų36.214%0.13620%0.2CC..Hα-helixtrans-59.3-42.8178.5-171.865.5000112.7S2433 L2437 F2438 A2439 L2449 L2533 E2534 F2675S2433-L2435 PolarHBondContact O-N 3.48Å; L2435-L2437 VanDerWaalsContact C-N 3.29Å; L2435-L2437 PolarHBondContact O-N 2.72Å; L2435-F2438 PolarHBondContact O-N 3.27Å; L2435-A2439 PolarHBondContact O-N 3.42Å; L2435-L2449 HydrophobicContact CD1-CD1 3.89Å; L2435-L2449 HydrophobicContact CG-CD1 4.19Å; L2435-L2533 HydrophobicContact CB-CB 3.89Å; L2435-L2533 HydrophobicContact CD1-CB 4.22Å; L2435-L2533 HydrophobicContact CD1-CD1 4.34Å; L2435-L2533 PolarHBondContact N-O 2.99Å; L2435-L2533 VanDerWaalsContact N-O 3.13Å; L2435-E2534 HydrophobicContact CB-CB 4.43Å; L2435-E2534 HydrophobicContact CD2-CB 4.03Å; L2435-F2675 HydrophobicContact CD1-CD2 3.91Å; L2435-F2675 HydrophobicContact CD1-CE2 3.88Å
2436S78.6Confident75.3Confident37 Ų3739.9 Ų39.926%0.25922%0.22SC..Hα-helixtrans-66.6-30.7177.666.80000112.9S2433 I2434 A2439 E2440S2433-S2436 PolarHBondContact O-N 2.84Å; S2433-S2436 PolarHBondContact O-OG 2.86Å; S2433-S2436 VanDerWaalsContact OG-CB 3.26Å; S2433-S2436 WeakPolarHBondContact OG-CB 3.43Å; S2433-S2436 PolarHBondContact OG-N 2.95Å; S2433-S2436 VanDerWaalsContact OG-N 3.17Å; S2433-S2436 PolarHBondContact OG-OG 3.47Å; I2434-S2436 PolarHBondContact O-N 3.12Å; S2436-A2439 PolarHBondContact O-N 3.18Å; S2436-E2440 WeakPolarHBondContact O-CG 3.5Å; S2436-E2440 PolarHBondContact O-N 3.2Å
2437L79.3Confident74.6Confident0 Ų041.4 Ų41.40%023%0.225CC..Hα-helixtrans-67.2-39.2173.9-63.5172.6000111.8K2432 S2433 I2434 L2435 A2441 F2491 M2495 M2540K2432-L2437 HydrophobicContact CB-CD2 4.21Å; K2432-L2437 HydrophobicContact CB-CG 4.32Å; K2432-L2437 HydrophobicContact CD-CD2 3.77Å; S2433-L2437 PolarHBondContact O-N 3.19Å; I2434-L2437 WeakPolarHBondContact O-CB 3.32Å; I2434-L2437 PolarHBondContact O-N 3.05Å; I2434-L2437 VanDerWaalsContact O-N 3.14Å; L2435-L2437 VanDerWaalsContact C-N 3.29Å; L2435-L2437 PolarHBondContact O-N 2.72Å; L2437-A2441 PolarHBondContact O-N 3.18Å; L2437-F2491 HydrophobicContact CB-CE2 4.04Å; L2437-F2491 HydrophobicContact CD1-CE2 4.07Å; L2437-F2491 HydrophobicContact CD1-CZ 4.46Å; L2437-M2495 HydrophobicContact CB-CE 4.19Å; L2437-M2495 HydrophobicContact CD1-CE 3.77Å; L2437-M2495 HydrophobicContact CD2-CE 4.15Å; L2437-M2495 HydrophobicContact CG-CE 4.26Å; L2437-M2540 HydrophobicContact CD1-SD 4.16Å; L2437-M2540 HydrophobicContact CD2-SD 4.35Å
2438F81.1Confident74.4Confident0 Ų042.3 Ų42.30%023%0.232CC..Hα-helixtrans-65.7-46.5170.8-79.1-71.2000111.4I2434 L2435 E2440 A2441 F2442 L2449 F2491 L2533 C2573 L2678I2434-F2438 HydrophobicContact CG2-CD2 3.77Å; I2434-F2438 HydrophobicContact CG2-CE2 3.53Å; I2434-F2438 WeakPolarHBondContact O-CD2 3.28Å; I2434-F2438 PolarHBondContact O-N 2.89Å; I2434-F2438 VanDerWaalsContact O-N 3.14Å; L2435-F2438 PolarHBondContact O-N 3.27Å; F2438-E2440 PolarHBondContact O-N 3.27Å; F2438-A2441 WeakPolarHBondContact O-CA 3.26Å; F2438-A2441 WeakPolarHBondContact O-CB 3.33Å; F2438-A2441 PolarHBondContact O-N 3.5Å; F2438-F2442 HydrophobicContact CB-CD2 4.37Å; F2438-F2442 HydrophobicContact CB-CE2 4.42Å; F2438-F2442 HydrophobicContact CD1-CE2 4.06Å; F2438-F2442 VanDerWaalsContact O-CD2 3.25Å; F2438-F2442 WeakPolarHBondContact O-CD2 3.44Å; F2438-F2442 PolarHBondContact O-N 3.06Å; F2438-L2449 HydrophobicContact CB-CD2 4.38Å; F2438-F2491 HydrophobicContact CD1-CB 4.44Å; F2438-F2491 HydrophobicContact CD1-CD2 4.4Å; F2438-F2491 HydrophobicContact CD2-CD2 4.38Å; F2438-F2491 HydrophobicContact CE1-CB 3.6Å; F2438-F2491 HydrophobicContact CE1-CD2 4.06Å; F2438-F2491 HydrophobicContact CE1-CG 4.12Å; F2438-F2491 AromaticContact CE2-CD2 3.99Å; F2438-F2491 HydrophobicContact CE2-CD2 3.99Å; F2438-F2491 HydrophobicContact CE2-CE2 4.45Å; F2438-F2491 HydrophobicContact CE2-CG 4.43Å; F2438-F2491 HydrophobicContact CZ-CB 3.76Å; F2438-F2491 AromaticContact CZ-CD2 3.82Å; F2438-F2491 HydrophobicContact CZ-CD2 3.82Å; F2438-F2491 AromaticContact CZ-CG 3.87Å; F2438-F2491 HydrophobicContact CZ-CG 3.87Å; F2438-L2533 HydrophobicContact CD2-CD1 4.38Å; F2438-L2533 HydrophobicContact CE2-CD1 4.42Å; F2438-C2573 HydrophobicContact CE1-CB 3.84Å; F2438-C2573 HydrophobicContact CZ-CB 3.94Å; F2438-L2678 HydrophobicContact CB-CD1 4.19Å; F2438-L2678 HydrophobicContact CD1-CB 4.39Å; F2438-L2678 HydrophobicContact CD1-CD1 4.5Å; F2438-L2678 HydrophobicContact CD1-CD2 3.95Å; F2438-L2678 HydrophobicContact CD2-CB 4.27Å; F2438-L2678 HydrophobicContact CE1-CB 4.19Å; F2438-L2678 HydrophobicContact CE1-CD2 4.1Å; F2438-L2678 HydrophobicContact CE2-CB 4.1Å; F2438-L2678 HydrophobicContact CG-CB 4.41Å; F2438-L2678 HydrophobicContact CG-CD1 4.2Å; F2438-L2678 HydrophobicContact CG-CD2 4.46Å; F2438-L2678 HydrophobicContact CZ-CB 4.05Å; F2438-L2678 VanDerWaalsContact CZ-OXT 3.29Å; F2438-L2678 WeakPolarHBondContact CZ-OXT 3.18Å
2439A76.6Confident74.3Confident26 Ų2640.8 Ų40.822%0.21522%0.224CC..Hα-helixtrans-52-45.6177.900000111.8L2435 S2436 A2441 F2442 Q2443 L2449L2435-A2439 PolarHBondContact O-N 3.42Å; S2436-A2439 PolarHBondContact O-N 3.18Å; A2439-A2441 PolarHBondContact O-N 2.9Å; A2439-F2442 PolarHBondContact O-N 3.09Å; A2439-Q2443 WeakPolarHBondContact O-CB 3.43Å; A2439-Q2443 VanDerWaalsContact O-CG 3.31Å; A2439-Q2443 WeakPolarHBondContact O-CG 3.38Å; A2439-Q2443 PolarHBondContact O-N 3.22Å; A2439-L2449 HydrophobicContact CB-CD1 3.47Å; A2439-L2449 VanDerWaalsContact CB-CD1 3.47Å; A2439-L2449 HydrophobicContact CB-CG 4.24Å
2440E72.6Confident74.5Confident45 Ų4538 Ų3821%0.2121%0.206CC..Hα-helixtrans-65.1-35176.1-70.7178-156.200113.2K2432 S2436 F2438 R2498K2432-E2440 IonicContact NZ-OE1 3.9Å; K2432-E2440 PolarHBondContact NZ-OE1 3.07Å; K2432-E2440 IonicContact NZ-OE2 3.87Å; S2436-E2440 WeakPolarHBondContact O-CG 3.5Å; S2436-E2440 PolarHBondContact O-N 3.2Å; F2438-E2440 PolarHBondContact O-N 3.27Å; E2440-R2498 VanDerWaalsContact CD-NH2 3.32Å; E2440-R2498 IonicContact OE1-NH2 3.3Å; E2440-R2498 PolarHBondContact OE1-NH2 2.69Å; E2440-R2498 IonicContact OE2-CZ 2.77Å; E2440-R2498 IonicContact OE2-NH2 3.96Å; E2440-R2498 PolarHBondContact OE2-NH2 2.84Å
2441A72.5Confident74.5Confident17 Ų1737.8 Ų37.814%0.1421%0.207CC..Hα-helixtrans-69.5-43.9176.900000111.8L2437 F2438 A2439 R2444 G2445 Q2494L2437-A2441 PolarHBondContact O-N 3.18Å; F2438-A2441 WeakPolarHBondContact O-CA 3.26Å; F2438-A2441 WeakPolarHBondContact O-CB 3.33Å; F2438-A2441 PolarHBondContact O-N 3.5Å; A2439-A2441 PolarHBondContact O-N 2.9Å; A2441-R2444 WeakPolarHBondContact O-CB 3.44Å; A2441-R2444 PolarHBondContact O-N 2.93Å; A2441-G2445 PolarHBondContact O-N 3.47Å; A2441-Q2494 HydrophobicContact CB-CB 4.19Å; A2441-Q2494 HydrophobicContact CB-CG 4.23Å
2442F73.5Confident74.5Confident13 Ų1337 Ų376%0.05720%0.202CC..Hα-helixtrans-69.7-34.7178.6-79.3-82.4000113F2438 A2439 R2444 G2445 N2446 H2447 L2449 L2452 L2485 V2486 L2678F2438-F2442 HydrophobicContact CB-CD2 4.37Å; F2438-F2442 HydrophobicContact CB-CE2 4.42Å; F2438-F2442 HydrophobicContact CD1-CE2 4.06Å; F2438-F2442 VanDerWaalsContact O-CD2 3.25Å; F2438-F2442 WeakPolarHBondContact O-CD2 3.44Å; F2438-F2442 PolarHBondContact O-N 3.06Å; A2439-F2442 PolarHBondContact O-N 3.09Å; F2442-R2444 PolarHBondContact O-N 2.88Å; F2442-G2445 CarbonylContact O-C 3.38Å; F2442-G2445 WeakPolarHBondContact O-CA 3.49Å; F2442-G2445 PolarHBondContact O-N 3.09Å; F2442-N2446 PolarHBondContact O-N 3.4Å; F2442-H2447 CarbonylContact C-O 3.59Å; F2442-H2447 PolarHBondContact O-N 3.26Å; F2442-L2449 HydrophobicContact CD2-CD2 3.85Å; F2442-L2449 HydrophobicContact CE2-CD2 4.28Å; F2442-L2449 HydrophobicContact CG-CD2 4.48Å; F2442-L2452 HydrophobicContact CE1-CD1 4.2Å; F2442-L2452 HydrophobicContact CE1-CD2 4.39Å; F2442-L2452 HydrophobicContact CE2-CD1 4.45Å; F2442-L2452 HydrophobicContact CZ-CD1 4.13Å; F2442-L2485 WeakPolarHBondContact CE1-O 3.49Å; F2442-V2486 HydrophobicContact CE1-CG2 4.37Å; F2442-V2486 HydrophobicContact CZ-CB 4.5Å; F2442-V2486 HydrophobicContact CZ-CG1 4.21Å; F2442-V2486 HydrophobicContact CZ-CG2 4.22Å; F2442-L2678 HydrophobicContact CE2-CD1 4.42Å; F2442-L2678 HydrophobicContact CE2-CD2 3.38Å; F2442-L2678 HydrophobicContact CZ-CD2 3.54Å
2443Q68Low74.4Confident102 Ų10234.1 Ų34.148%0.47719%0.19SC..Hα-helixtrans-57.1-35.4172.9-81.61800.800112.5A2439 G2445 N2446A2439-Q2443 WeakPolarHBondContact O-CB 3.43Å; A2439-Q2443 VanDerWaalsContact O-CG 3.31Å; A2439-Q2443 WeakPolarHBondContact O-CG 3.38Å; A2439-Q2443 PolarHBondContact O-N 3.22Å; Q2443-G2445 VanDerWaalsContact C-N 3.31Å; Q2443-N2446 PolarHBondContact O-N 3.08Å
2444R61.9Low74.1Confident90 Ų9034 Ų3434%0.3419%0.188SC..Hα-helixtrans-69.1-31173.4-69.9-176.9-176.8160.23.9113V49 T50 A2441 F2442 N2446 Q2494V49-R2444 PolarHBondContact O-NH2 2.92Å; T50-R2444 PolarHBondContact O-NH2 2.89Å; A2441-R2444 WeakPolarHBondContact O-CB 3.44Å; A2441-R2444 PolarHBondContact O-N 2.93Å; F2442-R2444 PolarHBondContact O-N 2.88Å; R2444-N2446 PolarHBondContact O-N 3.19Å; R2444-Q2494 VanDerWaalsContact CZ-OE1 3.28Å
2445G65.5Low73.7Confident40 Ų4034.5 Ų34.541%0.41220%0.195SC..THydrogen-bonded Turntrans-80.78.6174.700000114.2A2441 F2442 Q2443 H2447A2441-G2445 PolarHBondContact O-N 3.47Å; F2442-G2445 CarbonylContact O-C 3.38Å; F2442-G2445 WeakPolarHBondContact O-CA 3.49Å; F2442-G2445 PolarHBondContact O-N 3.09Å; Q2443-G2445 VanDerWaalsContact C-N 3.31Å; G2445-H2447 PolarHBondContact O-CD2 2.93Å; G2445-H2447 PolarHBondContact O-N 3.46Å
2446N66.9Low73.6Confident81 Ų8133.4 Ų33.443%0.43319%0.189SC..THydrogen-bonded Turntrans65.216.5-178.4-78.4-27.7000116K146 F2442 Q2443 R2444K146-N2446 VanDerWaalsContact CD-OD1 3.29Å; K146-N2446 WeakPolarHBondContact CD-OD1 3.45Å; K146-N2446 WeakPolarHBondContact CE-OD1 2.95Å; K146-N2446 PolarHBondContact NZ-ND2 3.32Å; K146-N2446 PolarHBondContact NZ-OD1 3.38Å; F2442-N2446 PolarHBondContact O-N 3.4Å; Q2443-N2446 PolarHBondContact O-N 3.08Å; R2444-N2446 PolarHBondContact O-N 3.19Å
2447H68.1Low73.5Confident79 Ų7932 Ų3237%0.36618%0.178SC..  trans-119146.9-179.8-67.2-66.9000111.6F2442 G2445F2442-H2447 CarbonylContact C-O 3.59Å; F2442-H2447 PolarHBondContact O-N 3.26Å; G2445-H2447 PolarHBondContact O-CD2 2.93Å; G2445-H2447 PolarHBondContact O-N 3.46Å
2448S71Confident73.3Confident33 Ų3336.7 Ų36.723%0.23120%0.2CC..  trans-91.6154.3172.898.60000110.9D2450 D2451S2448-D2450 PolarHBondContact O-N 3.2Å; S2448-D2450 PolarHBondContact OG-N 3.3Å; S2448-D2451 PolarHBondContact N-OD2 3.27Å; S2448-D2451 WeakPolarHBondContact O-CB 3.19Å; S2448-D2451 PolarHBondContact O-N 3.24Å; S2448-D2451 PolarHBondContact OG-N 2.91Å; S2448-D2451 PolarHBondContact OG-OD1 3.3Å; S2448-D2451 PolarHBondContact OG-OD2 2.89Å
2449L72Confident72.9Confident25 Ų2537.3 Ų37.313%0.13121%0.207CC..Hα-helixtrans-63.9-31.5175.4-80.4172.9000112.1L2435 F2438 A2439 F2442 D2451 L2452 F2675 L2678L2435-L2449 HydrophobicContact CD1-CD1 3.89Å; L2435-L2449 HydrophobicContact CG-CD1 4.19Å; F2438-L2449 HydrophobicContact CB-CD2 4.38Å; A2439-L2449 HydrophobicContact CB-CD1 3.47Å; A2439-L2449 VanDerWaalsContact CB-CD1 3.47Å; A2439-L2449 HydrophobicContact CB-CG 4.24Å; F2442-L2449 HydrophobicContact CD2-CD2 3.85Å; F2442-L2449 HydrophobicContact CE2-CD2 4.28Å; F2442-L2449 HydrophobicContact CG-CD2 4.48Å; L2449-D2451 VanDerWaalsContact C-N 3.29Å; L2449-D2451 PolarHBondContact O-N 3.07Å; L2449-L2452 HydrophobicContact CD2-CD1 4.06Å; L2449-L2452 WeakPolarHBondContact O-CB 3.41Å; L2449-L2452 PolarHBondContact O-N 3.47Å; L2449-F2675 HydrophobicContact CB-CE1 4.39Å; L2449-L2678 HydrophobicContact CD2-CD1 3.55Å
2450D75Confident72.7Confident13 Ų1337 Ų377%0.0720%0.201CC..Hα-helixtrans-71.1-27.7-179.5-63-52.3000111.3Y2218 V2283 K2286 S2448 L2452 V2453 V2454Y2218-D2450 PolarHBondContact OH-OD1 3.07Å; Y2218-D2450 VanDerWaalsContact OH-OD1 3.13Å; V2283-D2450 HydrophobicContact CG1-CB 3.75Å; V2283-D2450 HydrophobicContact CG2-CB 3.88Å; K2286-D2450 WeakPolarHBondContact CE-OD2 3.49Å; K2286-D2450 IonicContact NZ-OD1 4Å; K2286-D2450 PolarHBondContact NZ-OD1 3.13Å; K2286-D2450 IonicContact NZ-OD2 3.73Å; K2286-D2450 PolarHBondContact NZ-OD2 3.05Å; S2448-D2450 PolarHBondContact O-N 3.2Å; S2448-D2450 PolarHBondContact OG-N 3.3Å; D2450-L2452 PolarHBondContact O-N 3.19Å; D2450-L2452 VanDerWaalsContact O-N 3.15Å; D2450-V2453 PolarHBondContact O-N 3.45Å; D2450-V2454 WeakPolarHBondContact O-CG2 3.49Å; D2450-V2454 PolarHBondContact O-N 3.45Å
2451D75Confident72.4Confident63 Ų6336.9 Ų36.934%0.33720%0.2SC..Hα-helixtrans-59.1-28.3175.4-55.5-10.6000111.8S2448 L2449 G2455S2448-D2451 PolarHBondContact N-OD2 3.27Å; S2448-D2451 WeakPolarHBondContact O-CB 3.19Å; S2448-D2451 PolarHBondContact O-N 3.24Å; S2448-D2451 PolarHBondContact OG-N 2.91Å; S2448-D2451 PolarHBondContact OG-OD1 3.3Å; S2448-D2451 PolarHBondContact OG-OD2 2.89Å; L2449-D2451 VanDerWaalsContact C-N 3.29Å; L2449-D2451 PolarHBondContact O-N 3.07Å; D2451-G2455 PolarHBondContact O-N 3.28Å
2452L77.6Confident72.1Confident1 Ų141.5 Ų41.51%0.00522%0.222CC..Hα-helixtrans-69.2-39.1177.7-58.1171.8000111.8F2442 L2449 D2450 Y2456 V2481 L2485 V2486 W2677 L2678F2442-L2452 HydrophobicContact CE1-CD1 4.2Å; F2442-L2452 HydrophobicContact CE1-CD2 4.39Å; F2442-L2452 HydrophobicContact CE2-CD1 4.45Å; F2442-L2452 HydrophobicContact CZ-CD1 4.13Å; L2449-L2452 HydrophobicContact CD2-CD1 4.06Å; L2449-L2452 WeakPolarHBondContact O-CB 3.41Å; L2449-L2452 PolarHBondContact O-N 3.47Å; D2450-L2452 PolarHBondContact O-N 3.19Å; D2450-L2452 VanDerWaalsContact O-N 3.15Å; L2452-Y2456 PolarHBondContact O-N 3.33Å; L2452-V2481 HydrophobicContact CB-CG1 4.23Å; L2452-V2481 HydrophobicContact CD2-CG1 3.92Å; L2452-L2485 HydrophobicContact CD2-CB 3.51Å; L2452-L2485 HydrophobicContact CD2-CD1 4.17Å; L2452-L2485 HydrophobicContact CD2-CG 4.43Å; L2452-V2486 HydrophobicContact CD1-CG2 4.36Å; L2452-V2486 HydrophobicContact CD2-CG2 3.57Å; L2452-W2677 HydrophobicContact CB-CZ2 3.71Å; L2452-L2678 HydrophobicContact CD1-CD1 4.37Å; L2452-L2678 HydrophobicContact CD1-CD2 4.38Å
2453V77.6Confident71.4Confident0 Ų044.6 Ų44.60%023%0.234CC..Hα-helixtrans-74.7-42.4178.6-177.10000109.7Y2218 D2450 Y2456 Y2457 F2675 W2677Y2218-V2453 HydrophobicContact CD1-CG1 3.94Å; Y2218-V2453 HydrophobicContact CE1-CB 4.31Å; Y2218-V2453 HydrophobicContact CE1-CG1 3.62Å; D2450-V2453 PolarHBondContact O-N 3.45Å; V2453-Y2456 WeakPolarHBondContact O-CB 3.48Å; V2453-Y2456 PolarHBondContact O-N 3.47Å; V2453-Y2457 HydrophobicContact CG1-CD2 3.96Å; V2453-Y2457 HydrophobicContact CG1-CE2 3.74Å; V2453-Y2457 VanDerWaalsContact O-CD2 3.29Å; V2453-Y2457 WeakPolarHBondContact O-CD2 3.35Å; V2453-Y2457 PolarHBondContact O-N 3.13Å; V2453-F2675 HydrophobicContact CG2-CD1 4.4Å; V2453-F2675 HydrophobicContact CG2-CE1 3.76Å; V2453-F2675 HydrophobicContact CG2-CZ 4.29Å; V2453-W2677 HydrophobicContact CG2-CZ2 4.49Å
2454V77.3Confident71Confident17 Ų1745 Ų4510%0.10324%0.236CC..Hα-helixtrans-58.4-50.3174176.60000110.6I2279 D2450 Y2456 Y2457 E2458I2279-V2454 HydrophobicContact CG2-CG2 3.82Å; D2450-V2454 WeakPolarHBondContact O-CG2 3.49Å; D2450-V2454 PolarHBondContact O-N 3.45Å; V2454-Y2456 PolarHBondContact O-N 3.34Å; V2454-Y2457 PolarHBondContact O-N 3.01Å; V2454-E2458 HydrophobicContact CG1-CG 4.33Å; V2454-E2458 WeakPolarHBondContact O-CG 3.42Å; V2454-E2458 PolarHBondContact O-N 2.88Å
2455G74.9Confident70.6Confident16 Ų1650.8 Ų50.817%0.16526%0.257CS..Hα-helixtrans-62.1-28.6178.900000114D2451 G2459D2451-G2455 PolarHBondContact O-N 3.28Å; G2455-G2459 PolarHBondContact O-N 3.43Å; G2455-G2459 VanDerWaalsContact O-N 3.08Å
2456Y80.8Confident70.2Confident4 Ų452.8 Ų52.82%0.01626%0.262CS..Hα-helixtrans-66.3-50.5173.3178.7-92.8000111.8L2452 V2453 V2454 G2459 M2460 L2474 A2477 P2672 W2677L2452-Y2456 PolarHBondContact O-N 3.33Å; V2453-Y2456 WeakPolarHBondContact O-CB 3.48Å; V2453-Y2456 PolarHBondContact O-N 3.47Å; V2454-Y2456 PolarHBondContact O-N 3.34Å; Y2456-G2459 PolarHBondContact O-N 3Å; Y2456-M2460 HydrophobicContact CE1-SD 4.28Å; Y2456-M2460 PolarHBondContact O-N 3.28Å; Y2456-L2474 WeakPolarHBondContact OH-CD2 3.31Å; Y2456-A2477 HydrophobicContact CD2-CB 3.97Å; Y2456-A2477 HydrophobicContact CE2-CB 3.91Å; Y2456-P2672 HydrophobicContact CD1-CB 3.84Å; Y2456-P2672 HydrophobicContact CD1-CG 3.86Å; Y2456-P2672 HydrophobicContact CE1-CB 4.11Å; Y2456-P2672 HydrophobicContact CE1-CG 3.84Å; Y2456-P2672 HydrophobicContact CG-CB 4.16Å; Y2456-W2677 HydrophobicContact CD2-CH2 4.38Å; Y2456-W2677 AromaticContact CD2-CZ3 3.91Å; Y2456-W2677 HydrophobicContact CD2-CZ3 3.91Å; Y2456-W2677 HydrophobicContact CG-CH2 4.39Å; Y2456-W2677 HydrophobicContact CG-CZ3 4.37Å
2457Y77.1Confident69.5Low7 Ų754.8 Ų54.83%0.02727%0.273CS..Hα-helixtrans-69.7-36.6-179-75.1-74000112.3A2221 F2222 V2275 I2279 V2453 V2454 G2459 M2460 E2461 P2672A2221-Y2457 HydrophobicContact CB-CE1 4.4Å; F2222-Y2457 PolarHBondContact N-OH 3.32Å; V2275-Y2457 HydrophobicContact CG1-CD1 4.27Å; I2279-Y2457 HydrophobicContact CD1-CD2 3.58Å; I2279-Y2457 HydrophobicContact CD1-CE2 3.79Å; I2279-Y2457 HydrophobicContact CD1-CG 4.23Å; V2453-Y2457 HydrophobicContact CG1-CD2 3.96Å; V2453-Y2457 HydrophobicContact CG1-CE2 3.74Å; V2453-Y2457 VanDerWaalsContact O-CD2 3.29Å; V2453-Y2457 WeakPolarHBondContact O-CD2 3.35Å; V2453-Y2457 PolarHBondContact O-N 3.13Å; V2454-Y2457 PolarHBondContact O-N 3.01Å; Y2457-G2459 VanDerWaalsContact C-N 3.31Å; Y2457-G2459 PolarHBondContact O-N 2.77Å; Y2457-M2460 HydrophobicContact CD1-CE 4.33Å; Y2457-M2460 PolarHBondContact O-N 3.49Å; Y2457-M2460 VanDerWaalsContact O-N 3.13Å; Y2457-E2461 WeakPolarHBondContact O-CG 3.05Å; Y2457-E2461 PolarHBondContact O-N 3.49Å; Y2457-P2672 HydrophobicContact CE2-CG 3.76Å; Y2457-P2672 WeakPolarHBondContact OH-CG 3.32Å
2458E75.5Confident68.8Low98 Ų9861 Ų6146%0.45830%0.299SS..Hα-helixtrans-60-41.6170.3-73.3-176.7169.500111.9V2454 M2460 N2462V2454-E2458 HydrophobicContact CG1-CG 4.33Å; V2454-E2458 WeakPolarHBondContact O-CG 3.42Å; V2454-E2458 PolarHBondContact O-N 2.88Å; E2458-M2460 VanDerWaalsContact C-N 3.27Å; E2458-M2460 PolarHBondContact O-N 3.21Å; E2458-N2462 WeakPolarHBondContact O-CB 3Å; E2458-N2462 VanDerWaalsContact O-CG 3.29Å; E2458-N2462 PolarHBondContact O-N 3.34Å; E2458-N2462 VanDerWaalsContact O-N 3.15Å; E2458-N2462 PolarHBondContact O-ND2 3.23Å
2459G72.1Confident68.5Low14 Ų1466 Ų6614%0.14432%0.322CS..Hα-helixtrans-63.2-32.5174.900000113.2G2455 Y2456 Y2457G2455-G2459 PolarHBondContact O-N 3.43Å; G2455-G2459 VanDerWaalsContact O-N 3.08Å; Y2456-G2459 PolarHBondContact O-N 3Å; Y2457-G2459 VanDerWaalsContact C-N 3.31Å; Y2457-G2459 PolarHBondContact O-N 2.77Å
2460M72.2Confident68.3Low19 Ų1970.1 Ų70.19%0.09434%0.336CS..Hα-helixtrans-78.8-44.7179.1-149.6179.673.400112.2Y2456 Y2457 E2458 N2462 W2463 E2464 L2474Y2456-M2460 HydrophobicContact CE1-SD 4.28Å; Y2456-M2460 PolarHBondContact O-N 3.28Å; Y2457-M2460 HydrophobicContact CD1-CE 4.33Å; Y2457-M2460 PolarHBondContact O-N 3.49Å; Y2457-M2460 VanDerWaalsContact O-N 3.13Å; E2458-M2460 VanDerWaalsContact C-N 3.27Å; E2458-M2460 PolarHBondContact O-N 3.21Å; M2460-N2462 VanDerWaalsContact C-N 3.28Å; M2460-N2462 PolarHBondContact O-N 2.94Å; M2460-W2463 PolarHBondContact O-N 2.96Å; M2460-E2464 PolarHBondContact O-N 3Å; M2460-L2474 HydrophobicContact SD-CD2 4.1Å
2461E66.6Low68.3Low43 Ų4372.4 Ų72.420%0.20135%0.347CS..Hα-helixtrans-58.9-38.9175.9-76.2179.8-178.100111.6V2275 S2276 Y2457 W2463V2275-E2461 PolarHBondContact N-OE1 3.1Å; S2276-E2461 PolarHBondContact N-OE1 3.24Å; S2276-E2461 VanDerWaalsContact N-OE1 3.15Å; S2276-E2461 PolarHBondContact OG-OE1 3Å; S2276-E2461 PolarHBondContact OG-OE2 3.05Å; Y2457-E2461 WeakPolarHBondContact O-CG 3.05Å; Y2457-E2461 PolarHBondContact O-N 3.49Å; E2461-W2463 PolarHBondContact O-N 2.97Å
2462N66.2Low68.3Low113 Ų11371.9 Ų71.960%0.60435%0.351SS*.Hα-helixtrans-65.2-25.6175-76.9-37.3000113.2E2458 M2460E2458-N2462 WeakPolarHBondContact O-CB 3Å; E2458-N2462 VanDerWaalsContact O-CG 3.29Å; E2458-N2462 PolarHBondContact O-N 3.34Å; E2458-N2462 VanDerWaalsContact O-N 3.15Å; E2458-N2462 PolarHBondContact O-ND2 3.23Å; M2460-N2462 VanDerWaalsContact C-N 3.28Å; M2460-N2462 PolarHBondContact O-N 2.94Å
2463W59.2Low68Low79 Ų7972.4 Ų72.430%0.29936%0.356SS..Hα-helixtrans-98.7-32.6-175.8-102.678.2000114.5M2460 E2461 R2465 T2466 N2467 A2473 K2476M2460-W2463 PolarHBondContact O-N 2.96Å; E2461-W2463 PolarHBondContact O-N 2.97Å; W2463-R2465 PolarHBondContact O-N 2.92Å; W2463-R2465 VanDerWaalsContact O-N 3.09Å; W2463-T2466 PolarHBondContact O-N 3.04Å; W2463-T2466 PolarHBondContact O-OG1 2.9Å; W2463-N2467 HydrophobicContact CZ3-CB 4.25Å; W2463-A2473 HydrophobicContact CB-CB 4.4Å; W2463-K2476 HydrophobicContact CD2-CD 4.38Å; W2463-K2476 HydrophobicContact CH2-CD 4Å; W2463-K2476 HydrophobicContact CZ2-CD 3.47Å; W2463-K2476 VanDerWaalsContact CZ2-CD 3.47Å
2464E57.5Low67.9Low110 Ų11072.8 Ų72.851%0.51436%0.357SS..Hα-helixtrans-55.9-27176.7-81.1-173.9161.700112.5Q2225 M2460 T2466Q2225-E2464 PolarHBondContact NE2-OE1 2.81Å; M2460-E2464 PolarHBondContact O-N 3Å; E2464-T2466 PolarHBondContact O-N 3.21Å
2465R55.5Low68Low211 Ų21176.6 Ų76.680%0.79637%0.37SS*.THydrogen-bonded Turntrans-69.8-10.2173.6-68.6-179.1177.2167.21114.7W2463W2463-R2465 PolarHBondContact O-N 2.92Å; W2463-R2465 VanDerWaalsContact O-N 3.09Å
2466T55.3Low68.1Low83 Ų8381.1 Ų81.151%0.50939%0.385SS..THydrogen-bonded Turntrans-125-18.2-165.362.50000117.7W2463 E2464W2463-T2466 PolarHBondContact O-N 3.04Å; W2463-T2466 PolarHBondContact O-OG1 2.9Å; E2464-T2466 PolarHBondContact O-N 3.21Å
2467N52Low67.9Low123 Ų12381.1 Ų81.166%0.65839%0.386SS*.  trans-163.1154.5-178.7-109.7-37.3000117W2463W2463-N2467 HydrophobicContact CZ3-CB 4.25Å
2468K55.4Low68.2Low210 Ų21080.8 Ų80.891%0.91338%0.384SS*.SBendtrans-86.6-0.5-174.8-74.8-174.3176.4-177.90117.1
2469L63.2Low68.5Low137 Ų13780 Ų8072%0.71738%0.379SS*.  trans-101.288.1-178.4-79.3164.5000111.2H2471 A2472 A2473L2469-H2471 VanDerWaalsContact C-N 3.31Å; L2469-H2471 PolarHBondContact O-N 3.34Å; L2469-A2472 HydrophobicContact CB-CB 4.27Å; L2469-A2472 PolarHBondContact O-N 3.16Å; L2469-A2472 VanDerWaalsContact O-N 3.09Å; L2469-A2473 PolarHBondContact O-N 3.17Å
2470Y68.5Low68.9Low111 Ų11182.2 Ų82.244%0.43539%0.393SS..Hα-helixtrans-47.7-45.1-177.9177.5-118.1000114.2Q2225 A2472 A2473 L2474Q2225-Y2470 PolarHBondContact OE1-OH 3.27Å; Y2470-A2472 PolarHBondContact O-N 2.98Å; Y2470-A2473 WeakPolarHBondContact O-CB 3.23Å; Y2470-A2473 PolarHBondContact O-N 3.33Å; Y2470-A2473 VanDerWaalsContact O-N 3.17Å; Y2470-L2474 HydrophobicContact CD1-CD1 4.07Å; Y2470-L2474 HydrophobicContact CE1-CD1 3.64Å; Y2470-L2474 HydrophobicContact CE1-CG 4.32Å; Y2470-L2474 HydrophobicContact CE2-CD1 4.4Å; Y2470-L2474 HydrophobicContact CE2-CD2 4.02Å; Y2470-L2474 HydrophobicContact CE2-CG 4.21Å; Y2470-L2474 WeakPolarHBondContact O-CG 3.27Å; Y2470-L2474 PolarHBondContact O-N 3.21Å; Y2470-L2474 VanDerWaalsContact O-N 3.07Å
2471H73.8Confident69.3Low62 Ų6281.3 Ų81.329%0.28739%0.389SS..Hα-helixtrans-65.5-35.2-178.2-154.8-68.4000113.4L2469 A2473 L2474 R2475 D2665 R2669L2469-H2471 VanDerWaalsContact C-N 3.31Å; L2469-H2471 PolarHBondContact O-N 3.34Å; H2471-A2473 VanDerWaalsContact C-N 3.33Å; H2471-L2474 PolarHBondContact O-N 3.48Å; H2471-R2475 PolarHBondContact O-N 2.99Å; H2471-R2475 VanDerWaalsContact O-N 3.07Å; H2471-D2665 PolarHBondContact CE1-O 3.23Å; H2471-R2669 PolarHBondContact CD2-NE 3.27Å; H2471-R2669 WeakPolarHBondContact NE2-CD 3.35Å; H2471-R2669 VanDerWaalsContact NE2-CG 3.3Å; H2471-R2669 WeakPolarHBondContact NE2-CG 3.3Å; H2471-R2669 PolarHBondContact NE2-NE 2.95Å; H2471-R2669 VanDerWaalsContact NE2-NE 3.16Å
2472A75.1Confident70Confident52 Ų5280.1 Ų80.143%0.4338%0.383SS..Hα-helixtrans-69.4-33176.200000112L2469 Y2470 K2476L2469-A2472 HydrophobicContact CB-CB 4.27Å; L2469-A2472 PolarHBondContact O-N 3.16Å; L2469-A2472 VanDerWaalsContact O-N 3.09Å; Y2470-A2472 PolarHBondContact O-N 2.98Å; A2472-K2476 PolarHBondContact O-N 3.27Å; A2472-K2476 VanDerWaalsContact O-N 3.14Å
2473A72.7Confident70.6Confident12 Ų1282.1 Ų82.110%0.09939%0.389CS..Hα-helixtrans-66.8-47.7173.700000111.2W2463 L2469 Y2470 H2471 R2475 K2476 A2477W2463-A2473 HydrophobicContact CB-CB 4.4Å; L2469-A2473 PolarHBondContact O-N 3.17Å; Y2470-A2473 WeakPolarHBondContact O-CB 3.23Å; Y2470-A2473 PolarHBondContact O-N 3.33Å; Y2470-A2473 VanDerWaalsContact O-N 3.17Å; H2471-A2473 VanDerWaalsContact C-N 3.33Å; A2473-R2475 VanDerWaalsContact C-N 3.3Å; A2473-R2475 PolarHBondContact O-N 2.68Å; A2473-K2476 PolarHBondContact O-N 2.59Å; A2473-K2476 VanDerWaalsContact O-N 3.12Å; A2473-A2477 PolarHBondContact O-N 3.43Å
2474L75.3Confident71.4Confident7 Ų782.2 Ų82.24%0.03740%0.401CS..Hα-helixtrans-55.4-44.7175.1-63.9175000111.9Y2456 M2460 Y2470 H2471 K2476 A2477 Y2478 C2668Y2456-L2474 WeakPolarHBondContact OH-CD2 3.31Å; M2460-L2474 HydrophobicContact SD-CD2 4.1Å; Y2470-L2474 HydrophobicContact CD1-CD1 4.07Å; Y2470-L2474 HydrophobicContact CE1-CD1 3.64Å; Y2470-L2474 HydrophobicContact CE1-CG 4.32Å; Y2470-L2474 HydrophobicContact CE2-CD1 4.4Å; Y2470-L2474 HydrophobicContact CE2-CD2 4.02Å; Y2470-L2474 HydrophobicContact CE2-CG 4.21Å; Y2470-L2474 WeakPolarHBondContact O-CG 3.27Å; Y2470-L2474 PolarHBondContact O-N 3.21Å; Y2470-L2474 VanDerWaalsContact O-N 3.07Å; H2471-L2474 PolarHBondContact O-N 3.48Å; L2474-K2476 VanDerWaalsContact C-N 3.35Å; L2474-K2476 PolarHBondContact O-N 3.17Å; L2474-A2477 PolarHBondContact O-N 3.26Å; L2474-Y2478 VanDerWaalsContact O-CB 3.28Å; L2474-Y2478 WeakPolarHBondContact O-CB 3.5Å; L2474-Y2478 PolarHBondContact O-N 3.16Å; L2474-C2668 HydrophobicContact CB-CB 4.3Å
2475R79.1Confident72Confident98 Ų9878.8 Ų78.837%0.3739%0.386SS..Hα-helixtrans-63.9-38.2178.9-171177.9-177.5168.6-3112.4H2471 A2473 K2479 V2664 D2665H2471-R2475 PolarHBondContact O-N 2.99Å; H2471-R2475 VanDerWaalsContact O-N 3.07Å; A2473-R2475 VanDerWaalsContact C-N 3.3Å; A2473-R2475 PolarHBondContact O-N 2.68Å; R2475-K2479 WeakPolarHBondContact O-CB 3.43Å; R2475-K2479 WeakPolarHBondContact O-CG 3.49Å; R2475-K2479 PolarHBondContact O-N 3.42Å; R2475-V2664 HydrophobicContact CG-CG1 4.36Å; R2475-D2665 VanDerWaalsContact CD-OD1 3.26Å; R2475-D2665 WeakPolarHBondContact CD-OD1 3.46Å; R2475-D2665 IonicContact CZ-OD1 3.08Å; R2475-D2665 IonicContact CZ-OD2 2.72Å; R2475-D2665 IonicContact NE-OD1 3.2Å; R2475-D2665 PolarHBondContact NE-OD1 3.21Å; R2475-D2665 IonicContact NH1-OD1 2.86Å; R2475-D2665 PolarHBondContact NH1-OD1 3.46Å; R2475-D2665 IonicContact NH1-OD2 3.35Å; R2475-D2665 PolarHBondContact NH1-OD2 3.22Å; R2475-D2665 IonicContact NH2-OD1 3.57Å; R2475-D2665 IonicContact NH2-OD2 2.81Å
2476K77.5Confident72.6Confident111 Ų11169.2 Ų69.248%0.48335%0.351SS..Hα-helixtrans-72.7-43.4177.8-107.8-174.3178.3-176.30112.3W2463 A2472 A2473 L2474 K2479 S2480W2463-K2476 HydrophobicContact CD2-CD 4.38Å; W2463-K2476 HydrophobicContact CH2-CD 4Å; W2463-K2476 HydrophobicContact CZ2-CD 3.47Å; W2463-K2476 VanDerWaalsContact CZ2-CD 3.47Å; A2472-K2476 PolarHBondContact O-N 3.27Å; A2472-K2476 VanDerWaalsContact O-N 3.14Å; A2473-K2476 PolarHBondContact O-N 2.59Å; A2473-K2476 VanDerWaalsContact O-N 3.12Å; L2474-K2476 VanDerWaalsContact C-N 3.35Å; L2474-K2476 PolarHBondContact O-N 3.17Å; K2476-K2479 PolarHBondContact O-N 3.11Å; K2476-S2480 WeakPolarHBondContact O-CB 3.47Å; K2476-S2480 PolarHBondContact O-N 3.19Å
2477A76.1Confident73.3Confident3 Ų369.4 Ų69.43%0.02535%0.352CS..Hα-helixtrans-59.9-46.7175.200000110.9Y2456 A2473 L2474 K2479 S2480 V2481Y2456-A2477 HydrophobicContact CD2-CB 3.97Å; Y2456-A2477 HydrophobicContact CE2-CB 3.91Å; A2473-A2477 PolarHBondContact O-N 3.43Å; L2474-A2477 PolarHBondContact O-N 3.26Å; A2477-K2479 PolarHBondContact O-N 3.03Å; A2477-S2480 WeakPolarHBondContact O-CB 3.37Å; A2477-S2480 PolarHBondContact O-N 3.48Å; A2477-V2481 PolarHBondContact O-N 2.72Å; A2477-V2481 VanDerWaalsContact O-N 3.12Å
2478Y83.8Confident74.3Confident0 Ų068.6 Ų68.60%034%0.343CS..Hα-helixtrans-56.9-48.6173.8177.1-87.2000112.5L2474 S2480 V2481 Q2482 P2572 V2664 L2667 C2668 P2676 W2677L2474-Y2478 VanDerWaalsContact O-CB 3.28Å; L2474-Y2478 WeakPolarHBondContact O-CB 3.5Å; L2474-Y2478 PolarHBondContact O-N 3.16Å; Y2478-S2480 VanDerWaalsContact C-N 3.33Å; Y2478-S2480 PolarHBondContact O-N 3.18Å; Y2478-V2481 PolarHBondContact O-N 2.72Å; Y2478-Q2482 HydrophobicContact CE1-CB 4.43Å; Y2478-Q2482 WeakPolarHBondContact O-CB 3.33Å; Y2478-Q2482 PolarHBondContact O-N 2.82Å; Y2478-P2572 WeakPolarHBondContact OH-CG 3.38Å; Y2478-V2664 HydrophobicContact CD1-CG1 3.73Å; Y2478-V2664 HydrophobicContact CE1-CG1 3.78Å; Y2478-L2667 HydrophobicContact CE2-CB 4.3Å; Y2478-C2668 HydrophobicContact CG-CB 4.25Å; Y2478-P2676 HydrophobicContact CD2-CG 4.27Å; Y2478-P2676 HydrophobicContact CE2-CB 4.07Å; Y2478-P2676 HydrophobicContact CE2-CG 4.15Å; Y2478-P2676 PolarHBondContact OH-O 3.31Å; Y2478-W2677 AromaticContact CD2-CE3 3.94Å; Y2478-W2677 HydrophobicContact CD2-CE3 3.94Å; Y2478-W2677 HydrophobicContact CE2-CB 4.1Å; Y2478-W2677 HydrophobicContact CE2-CE3 4.09Å
2479K81.5Confident75.3Confident81 Ų8161.4 Ų61.435%0.35231%0.314SS..Hα-helixtrans-63.7-37.9178.1-82.5-169.8172.3-164.60112.6R2475 K2476 A2477 Q2482 E2483R2475-K2479 WeakPolarHBondContact O-CB 3.43Å; R2475-K2479 WeakPolarHBondContact O-CG 3.49Å; R2475-K2479 PolarHBondContact O-N 3.42Å; K2476-K2479 PolarHBondContact O-N 3.11Å; A2477-K2479 PolarHBondContact O-N 3.03Å; K2479-Q2482 PolarHBondContact O-N 2.82Å; K2479-E2483 WeakPolarHBondContact O-CB 3.34Å; K2479-E2483 WeakPolarHBondContact O-CG 3.43Å; K2479-E2483 PolarHBondContact O-N 2.91Å
2480S80.4Confident76Confident61 Ų6155.6 Ų55.643%0.42729%0.286SS..Hα-helixtrans-57.1-51.2176.3-172.10000110.4K2476 A2477 Y2478 Q2482 E2483 S2484K2476-S2480 WeakPolarHBondContact O-CB 3.47Å; K2476-S2480 PolarHBondContact O-N 3.19Å; A2477-S2480 WeakPolarHBondContact O-CB 3.37Å; A2477-S2480 PolarHBondContact O-N 3.48Å; Y2478-S2480 VanDerWaalsContact C-N 3.33Å; Y2478-S2480 PolarHBondContact O-N 3.18Å; S2480-Q2482 PolarHBondContact O-N 3.39Å; S2480-E2483 PolarHBondContact O-N 3.48Å; S2480-S2484 VanDerWaalsContact O-CB 3.25Å; S2480-S2484 WeakPolarHBondContact O-CB 3.47Å; S2480-S2484 PolarHBondContact O-N 2.74Å; S2480-S2484 PolarHBondContact O-OG 3.48Å
2481V80.4Confident76.6Confident1 Ų150.5 Ų50.51%0.00627%0.266CS..Hα-helixtrans-63.6-42.6177.5177.40000111.3L2452 A2477 Y2478 E2483 L2485 V2486 W2677L2452-V2481 HydrophobicContact CB-CG1 4.23Å; L2452-V2481 HydrophobicContact CD2-CG1 3.92Å; A2477-V2481 PolarHBondContact O-N 2.72Å; A2477-V2481 VanDerWaalsContact O-N 3.12Å; Y2478-V2481 PolarHBondContact O-N 2.72Å; V2481-E2483 PolarHBondContact O-N 3.2Å; V2481-L2485 PolarHBondContact O-N 3.41Å; V2481-V2486 HydrophobicContact CG1-CG2 4.21Å; V2481-V2486 PolarHBondContact O-N 2.83Å; V2481-W2677 HydrophobicContact CG1-CD2 3.97Å; V2481-W2677 HydrophobicContact CG1-CE3 4.22Å; V2481-W2677 HydrophobicContact CG1-CG 4.37Å; V2481-W2677 HydrophobicContact CG1-CZ2 4.37Å
2482Q81.6Confident77.1Confident18 Ų1849 Ų498%0.08426%0.259CS..Hα-helixtrans-65.1-37.1-179.3-171.2175.637.200113.5Y2478 K2479 S2480Y2478-Q2482 HydrophobicContact CE1-CB 4.43Å; Y2478-Q2482 WeakPolarHBondContact O-CB 3.33Å; Y2478-Q2482 PolarHBondContact O-N 2.82Å; K2479-Q2482 PolarHBondContact O-N 2.82Å; S2480-Q2482 PolarHBondContact O-N 3.39Å
2483E79.5Confident77.2Confident155 Ų15551 Ų5172%0.72426%0.259SS*.Hα-helixtrans-86.9-32.2-178.2-70.5173.6-173.100112.7K2479 S2480 V2481K2479-E2483 WeakPolarHBondContact O-CB 3.34Å; K2479-E2483 WeakPolarHBondContact O-CG 3.43Å; K2479-E2483 PolarHBondContact O-N 2.91Å; S2480-E2483 PolarHBondContact O-N 3.48Å; V2481-E2483 PolarHBondContact O-N 3.2Å
2484S75.7Confident77.5Confident80 Ų8050.7 Ų50.756%0.55926%0.255SS*.Hα-helixtrans-88.2-41-17661.40000114.2S2480S2480-S2484 VanDerWaalsContact O-CB 3.25Å; S2480-S2484 WeakPolarHBondContact O-CB 3.47Å; S2480-S2484 PolarHBondContact O-N 2.74Å; S2480-S2484 PolarHBondContact O-OG 3.48Å
2485L69.6Low77.9Confident39 Ų3950.3 Ų50.320%0.20425%0.254CS..THydrogen-bonded Turntrans-116.8-24.2-166.5-67.2164.1000113.6F2442 L2452 V2481F2442-L2485 WeakPolarHBondContact CE1-O 3.49Å; L2452-L2485 HydrophobicContact CD2-CB 3.51Å; L2452-L2485 HydrophobicContact CD2-CD1 4.17Å; L2452-L2485 HydrophobicContact CD2-CG 4.43Å; V2481-L2485 PolarHBondContact O-N 3.41Å
2486V68.9Low77.8Confident9 Ų947.9 Ų47.96%0.05525%0.247CC..  trans-110.7114.1-171.2-179.90000112.4F2442 L2452 V2481 K2488 W2677 L2678F2442-V2486 HydrophobicContact CE1-CG2 4.37Å; F2442-V2486 HydrophobicContact CZ-CB 4.5Å; F2442-V2486 HydrophobicContact CZ-CG1 4.21Å; F2442-V2486 HydrophobicContact CZ-CG2 4.22Å; L2452-V2486 HydrophobicContact CD1-CG2 4.36Å; L2452-V2486 HydrophobicContact CD2-CG2 3.57Å; V2481-V2486 HydrophobicContact CG1-CG2 4.21Å; V2481-V2486 PolarHBondContact O-N 2.83Å; V2486-K2488 PolarHBondContact O-N 2.94Å; V2486-W2677 HydrophobicContact CG2-CB 4.34Å; V2486-W2677 HydrophobicContact CG2-CG 4.09Å; V2486-L2678 HydrophobicContact CG1-CD2 4.29Å
2487V70.1Confident77.6Confident87 Ų8746.5 Ų46.553%0.52725%0.245SC..  trans-81.2116.4169-177.10000109.4N2489 A2490V2487-N2489 HydrophobicContact CG1-CB 4.46Å; V2487-N2489 PolarHBondContact O-N 3.24Å; V2487-N2489 VanDerWaalsContact O-N 3.08Å; V2487-A2490 HydrophobicContact CB-CB 4.32Å; V2487-A2490 WeakPolarHBondContact O-CB 3.32Å; V2487-A2490 PolarHBondContact O-N 2.87Å
2488K72.1Confident77.5Confident107 Ų10746.4 Ų46.447%0.46524%0.243SC..THydrogen-bonded Turntrans-55.4-30.3-177.9-65.7-176.7-177.7176.10113.8V2486 C2573V2486-K2488 PolarHBondContact O-N 2.94Å; K2488-C2573 WeakPolarHBondContact O-CA 3.46Å
2489N77.4Confident77.3Confident59 Ų5946.4 Ų46.432%0.31624%0.243SC..THydrogen-bonded Turntrans-87.7-2.1-178.9-61.71.4000113.3V2487 F2491 K2492 E2493 E2576V2487-N2489 HydrophobicContact CG1-CB 4.46Å; V2487-N2489 PolarHBondContact O-N 3.24Å; V2487-N2489 VanDerWaalsContact O-N 3.08Å; N2489-F2491 VanDerWaalsContact C-N 3.29Å; N2489-F2491 PolarHBondContact O-N 3.1Å; N2489-K2492 WeakPolarHBondContact O-CA 3.22Å; N2489-K2492 WeakPolarHBondContact O-CB 3.39Å; N2489-K2492 PolarHBondContact O-N 3.31Å; N2489-E2493 HydrophobicContact CB-CG 4.28Å; N2489-E2493 PolarHBondContact O-N 2.89Å; N2489-E2576 WeakPolarHBondContact OD1-CG 3.42Å
2490A76.7Confident76.8Confident14 Ų1445 Ų4512%0.11624%0.243CC..Hα-helixtrans-54.4-43.2-171.100000113V2487 Q2494V2487-A2490 HydrophobicContact CB-CB 4.32Å; V2487-A2490 WeakPolarHBondContact O-CB 3.32Å; V2487-A2490 PolarHBondContact O-N 2.87Å; A2490-Q2494 VanDerWaalsContact O-CB 3.25Å; A2490-Q2494 WeakPolarHBondContact O-CB 3.38Å; A2490-Q2494 PolarHBondContact O-N 3.12Å
2491F81.6Confident76.6Confident5 Ų544.8 Ų44.82%0.02224%0.239CC..Hα-helixtrans-67.2-43177.4-169-113.1000112.2I2434 L2437 F2438 N2489 Q2494 M2495 I2538 C2573 F2577I2434-F2491 HydrophobicContact CG2-CE2 4.23Å; L2437-F2491 HydrophobicContact CB-CE2 4.04Å; L2437-F2491 HydrophobicContact CD1-CE2 4.07Å; L2437-F2491 HydrophobicContact CD1-CZ 4.46Å; F2438-F2491 HydrophobicContact CD1-CB 4.44Å; F2438-F2491 HydrophobicContact CD1-CD2 4.4Å; F2438-F2491 HydrophobicContact CD2-CD2 4.38Å; F2438-F2491 HydrophobicContact CE1-CB 3.6Å; F2438-F2491 HydrophobicContact CE1-CD2 4.06Å; F2438-F2491 HydrophobicContact CE1-CG 4.12Å; F2438-F2491 AromaticContact CE2-CD2 3.99Å; F2438-F2491 HydrophobicContact CE2-CD2 3.99Å; F2438-F2491 HydrophobicContact CE2-CE2 4.45Å; F2438-F2491 HydrophobicContact CE2-CG 4.43Å; F2438-F2491 HydrophobicContact CZ-CB 3.76Å; F2438-F2491 AromaticContact CZ-CD2 3.82Å; F2438-F2491 HydrophobicContact CZ-CD2 3.82Å; F2438-F2491 AromaticContact CZ-CG 3.87Å; F2438-F2491 HydrophobicContact CZ-CG 3.87Å; N2489-F2491 VanDerWaalsContact C-N 3.29Å; N2489-F2491 PolarHBondContact O-N 3.1Å; F2491-Q2494 PolarHBondContact O-N 3.48Å; F2491-M2495 HydrophobicContact CD1-CG 4.42Å; F2491-M2495 HydrophobicContact CD2-CE 4.24Å; F2491-M2495 HydrophobicContact CE1-CG 4.11Å; F2491-M2495 HydrophobicContact CE2-CE 3.71Å; F2491-M2495 HydrophobicContact CZ-CE 4.03Å; F2491-M2495 HydrophobicContact CZ-CG 4.16Å; F2491-M2495 HydrophobicContact CZ-SD 4.29Å; F2491-M2495 WeakPolarHBondContact O-CG 3.47Å; F2491-M2495 PolarHBondContact O-N 3.45Å; F2491-I2538 HydrophobicContact CZ-CD1 4.48Å; F2491-C2573 HydrophobicContact CB-CB 4.45Å; F2491-F2577 HydrophobicContact CD1-CB 3.7Å; F2491-F2577 HydrophobicContact CD1-CD1 4.11Å; F2491-F2577 HydrophobicContact CD1-CD2 4.29Å; F2491-F2577 AromaticContact CD1-CG 3.77Å; F2491-F2577 HydrophobicContact CD1-CG 3.77Å; F2491-F2577 HydrophobicContact CE1-CB 4.29Å; F2491-F2577 AromaticContact CE1-CD1 3.81Å; F2491-F2577 HydrophobicContact CE1-CD1 3.81Å; F2491-F2577 HydrophobicContact CE1-CD2 4.4Å; F2491-F2577 HydrophobicContact CE1-CE1 4.22Å; F2491-F2577 AromaticContact CE1-CG 3.9Å; F2491-F2577 HydrophobicContact CE1-CG 3.9Å
2492K83.7Confident76.6Confident31 Ų3145 Ų4514%0.13524%0.241CC..Hα-helixtrans-61.9-47.9178.1-178.4-176.8175.5-178.90111.3N2489 Q2494 M2495 M2496 F2577N2489-K2492 WeakPolarHBondContact O-CA 3.22Å; N2489-K2492 WeakPolarHBondContact O-CB 3.39Å; N2489-K2492 PolarHBondContact O-N 3.31Å; K2492-Q2494 VanDerWaalsContact C-N 3.34Å; K2492-Q2494 PolarHBondContact O-N 3.35Å; K2492-M2495 PolarHBondContact O-N 2.88Å; K2492-M2496 HydrophobicContact CG-CE 4.49Å; K2492-M2496 WeakPolarHBondContact O-CG 3.49Å; K2492-M2496 PolarHBondContact O-N 3.27Å; K2492-F2577 HydrophobicContact CB-CB 4.34Å
2493E78Confident76.6Confident94 Ų9444.6 Ų44.644%0.43924%0.239SC..Hα-helixtrans-60.9-44.1176.4-73.4172.5-164.400111.2N2489 M2495 M2496 L2497N2489-E2493 HydrophobicContact CB-CG 4.28Å; N2489-E2493 PolarHBondContact O-N 2.89Å; E2493-M2495 VanDerWaalsContact C-N 3.32Å; E2493-M2495 PolarHBondContact O-N 3.46Å; E2493-M2496 PolarHBondContact O-N 3.5Å; E2493-L2497 WeakPolarHBondContact O-CB 3.18Å; E2493-L2497 VanDerWaalsContact O-CG 3.26Å; E2493-L2497 WeakPolarHBondContact O-CG 3.36Å; E2493-L2497 PolarHBondContact O-N 3.47Å
2494Q79.2Confident76.7Confident4 Ų438.6 Ų38.62%0.01921%0.212CC..Hα-helixtrans-61.3-40.9177.6-176.265.5-30.400112.4A2441 R2444 A2490 F2491 K2492 R2498A2441-Q2494 HydrophobicContact CB-CB 4.19Å; A2441-Q2494 HydrophobicContact CB-CG 4.23Å; R2444-Q2494 VanDerWaalsContact CZ-OE1 3.28Å; A2490-Q2494 VanDerWaalsContact O-CB 3.25Å; A2490-Q2494 WeakPolarHBondContact O-CB 3.38Å; A2490-Q2494 PolarHBondContact O-N 3.12Å; F2491-Q2494 PolarHBondContact O-N 3.48Å; K2492-Q2494 VanDerWaalsContact C-N 3.34Å; K2492-Q2494 PolarHBondContact O-N 3.35Å; Q2494-R2498 PolarHBondContact O-N 3.05Å
2495M82.6Confident77.2Confident0 Ų034.9 Ų34.90%019%0.186CC..Hα-helixtrans-69.1-39.4175-67-54.8114.100112.3L2437 F2491 K2492 E2493 L2497 R2498 F2499 Y2505 F2508 M2540 F2577L2437-M2495 HydrophobicContact CB-CE 4.19Å; L2437-M2495 HydrophobicContact CD1-CE 3.77Å; L2437-M2495 HydrophobicContact CD2-CE 4.15Å; L2437-M2495 HydrophobicContact CG-CE 4.26Å; F2491-M2495 HydrophobicContact CD1-CG 4.42Å; F2491-M2495 HydrophobicContact CD2-CE 4.24Å; F2491-M2495 HydrophobicContact CE1-CG 4.11Å; F2491-M2495 HydrophobicContact CE2-CE 3.71Å; F2491-M2495 HydrophobicContact CZ-CE 4.03Å; F2491-M2495 HydrophobicContact CZ-CG 4.16Å; F2491-M2495 HydrophobicContact CZ-SD 4.29Å; F2491-M2495 WeakPolarHBondContact O-CG 3.47Å; F2491-M2495 PolarHBondContact O-N 3.45Å; K2492-M2495 PolarHBondContact O-N 2.88Å; E2493-M2495 VanDerWaalsContact C-N 3.32Å; E2493-M2495 PolarHBondContact O-N 3.46Å; M2495-L2497 VanDerWaalsContact C-N 3.31Å; M2495-L2497 PolarHBondContact O-N 3.42Å; M2495-R2498 PolarHBondContact O-N 3.21Å; M2495-F2499 WeakPolarHBondContact O-CD2 3.28Å; M2495-F2499 PolarHBondContact O-N 2.97Å; M2495-Y2505 HydrophobicContact CB-CD2 4.4Å; M2495-Y2505 HydrophobicContact CB-CE2 3.87Å; M2495-F2508 HydrophobicContact CG-CE1 4.43Å; M2495-F2508 HydrophobicContact SD-CE1 3.88Å; M2495-F2508 HydrophobicContact SD-CZ 4.2Å; M2495-M2540 HydrophobicContact CE-CE 4.49Å; M2495-M2540 HydrophobicContact SD-CE 4Å; M2495-F2577 HydrophobicContact CB-CD2 4.3Å; M2495-F2577 HydrophobicContact CB-CE2 3.85Å; M2495-F2577 HydrophobicContact CG-CD2 4.21Å; M2495-F2577 HydrophobicContact CG-CE2 3.84Å; M2495-F2577 HydrophobicContact CG-CZ 4.37Å
2496M78.1Confident77.9Confident46 Ų4633.1 Ų33.123%0.22718%0.177CC..Hα-helixtrans-65.6-33176.4-73.8-156.6-63.600112.9K2492 E2493 F2499 Y2505K2492-M2496 HydrophobicContact CG-CE 4.49Å; K2492-M2496 WeakPolarHBondContact O-CG 3.49Å; K2492-M2496 PolarHBondContact O-N 3.27Å; E2493-M2496 PolarHBondContact O-N 3.5Å; M2496-F2499 CarbonylContact O-C 3.56Å; M2496-F2499 VanDerWaalsContact O-C 3.27Å; M2496-Y2505 HydrophobicContact CB-CE2 4.49Å; M2496-Y2505 HydrophobicContact CG-CD2 3.98Å; M2496-Y2505 HydrophobicContact CG-CE1 4.26Å; M2496-Y2505 HydrophobicContact CG-CE2 3.56Å; M2496-Y2505 HydrophobicContact CG-CG 4.48Å
2497L72.2Confident78.6Confident83 Ų8334.2 Ų34.244%0.43519%0.185SC..Hα-helixtrans-68.1-39.1175.3-72.6167.9000111.9E2493 M2495E2493-L2497 WeakPolarHBondContact O-CB 3.18Å; E2493-L2497 VanDerWaalsContact O-CG 3.26Å; E2493-L2497 WeakPolarHBondContact O-CG 3.36Å; E2493-L2497 PolarHBondContact O-N 3.47Å; M2495-L2497 VanDerWaalsContact C-N 3.31Å; M2495-L2497 PolarHBondContact O-N 3.42Å
2498R75.1Confident79.4Confident0 Ų030.1 Ų30.10%016%0.16CC..Hα-helixtrans-73.7-31.8176.7-71.2-175.7173.2-14914.1113.5E46 S47 E2440 Q2494 M2495 P2500E46-R2498 IonicContact OE1-CZ 3.51Å; E46-R2498 IonicContact OE1-NE 3.05Å; E46-R2498 IonicContact OE1-NH1 2.89Å; E46-R2498 PolarHBondContact OE1-NH1 3.42Å; S47-R2498 PolarHBondContact N-O 2.75Å; S47-R2498 PolarHBondContact OG-O 3.11Å; E2440-R2498 VanDerWaalsContact CD-NH2 3.32Å; E2440-R2498 IonicContact OE1-NH2 3.3Å; E2440-R2498 PolarHBondContact OE1-NH2 2.69Å; E2440-R2498 IonicContact OE2-CZ 2.77Å; E2440-R2498 IonicContact OE2-NH2 3.96Å; E2440-R2498 PolarHBondContact OE2-NH2 2.84Å; Q2494-R2498 PolarHBondContact O-N 3.05Å; M2495-R2498 PolarHBondContact O-N 3.21Å; R2498-P2500 VanDerWaalsContact C-CD 3.42Å; R2498-P2500 WeakPolarHBondContact O-CD 3.41Å
2499F78.8Confident80.2Confident0 Ų025.1 Ų25.10%014%0.138CC..  trans-115.676.1177.4-57.2-69.4000111.1V44 E46 R1675 M2495 M2496 V2501 D2504 Y2505 F2508 M2540V44-F2499 HydrophobicContact CB-CE1 4.14Å; V44-F2499 HydrophobicContact CG1-CD1 3.5Å; V44-F2499 VanDerWaalsContact CG1-CD1 3.5Å; V44-F2499 HydrophobicContact CG1-CE1 3.46Å; V44-F2499 VanDerWaalsContact CG1-CE1 3.46Å; V44-F2499 HydrophobicContact CG1-CZ 4.46Å; E46-F2499 HydrophobicContact CB-CE1 4.18Å; R1675-F2499 PolarHBondContact NH2-O 2.84Å; M2495-F2499 WeakPolarHBondContact O-CD2 3.28Å; M2495-F2499 PolarHBondContact O-N 2.97Å; M2496-F2499 CarbonylContact O-C 3.56Å; M2496-F2499 VanDerWaalsContact O-C 3.27Å; F2499-V2501 PolarHBondContact O-N 3.47Å; F2499-D2504 HydrophobicContact CB-CB 4.5Å; F2499-D2504 HydrophobicContact CD1-CB 4.44Å; F2499-Y2505 HydrophobicContact CB-CD2 4.42Å; F2499-F2508 HydrophobicContact CD2-CD1 4.3Å; F2499-F2508 HydrophobicContact CD2-CG 4.33Å; F2499-F2508 HydrophobicContact CE2-CB 4.49Å; F2499-F2508 AromaticContact CE2-CD1 3.92Å; F2499-F2508 HydrophobicContact CE2-CD1 3.92Å; F2499-F2508 AromaticContact CE2-CD2 3.86Å; F2499-F2508 HydrophobicContact CE2-CD2 3.86Å; F2499-F2508 HydrophobicContact CE2-CE1 4.03Å; F2499-F2508 AromaticContact CE2-CE2 3.96Å; F2499-F2508 HydrophobicContact CE2-CE2 3.96Å; F2499-F2508 AromaticContact CE2-CG 3.83Å; F2499-F2508 HydrophobicContact CE2-CG 3.83Å; F2499-F2508 HydrophobicContact CE2-CZ 4.04Å; F2499-F2508 AromaticContact CZ-CD2 3.85Å; F2499-F2508 HydrophobicContact CZ-CD2 3.85Å; F2499-F2508 HydrophobicContact CZ-CE2 4.03Å; F2499-F2508 HydrophobicContact CZ-CG 4.2Å; F2499-M2540 HydrophobicContact CE2-CE 3.75Å; F2499-M2540 HydrophobicContact CZ-CE 3.88Å; F2499-M2540 VanDerWaalsContact CZ-O 3.29Å; F2499-M2540 WeakPolarHBondContact CZ-O 3.33Å
2500P70.2Confident80.7Confident53 Ų5324.2 Ų24.234%0.34413%0.131SC..  trans-69.7-15-177.529.4-35.9000112.9S47 R1675 R2498S47-P2500 WeakPolarHBondContact OG-CD 3.19Å; S47-P2500 WeakPolarHBondContact OG-CG 3.49Å; R1675-P2500 PolarHBondContact NH2-O 3.15Å; R2498-P2500 VanDerWaalsContact C-CD 3.42Å; R2498-P2500 WeakPolarHBondContact O-CD 3.41Å
2501V76.3Confident81.2Confident56 Ų5624.4 Ų24.434%0.33913%0.13SC..SBendtrans-86.8126.3172.5179.80000109.2F2499 T2503 D2504 Y2505F2499-V2501 PolarHBondContact O-N 3.47Å; V2501-T2503 VanDerWaalsContact C-N 3.33Å; V2501-T2503 PolarHBondContact O-N 3.41Å; V2501-D2504 HydrophobicContact CB-CB 4.1Å; V2501-D2504 WeakPolarHBondContact CB-OD2 3.37Å; V2501-D2504 HydrophobicContact CG1-CB 4.45Å; V2501-D2504 PolarHBondContact O-N 3.23Å; V2501-Y2505 PolarHBondContact O-N 3.42Å; V2501-Y2505 VanDerWaalsContact O-N 3.16Å
2502A80.5Confident81.6Confident6 Ų624.4 Ų24.45%0.0513%0.13CC..Hα-helixtrans-60.4-39.1-176.800000113.9H1699 T1700 L1703 F2506H1699-A2502 HydrophobicContact CB-CB 4.19Å; T1700-A2502 WeakPolarHBondContact OG1-CB 3.14Å; L1703-A2502 HydrophobicContact CD1-CB 3.86Å; A2502-F2506 VanDerWaalsContact O-CB 3.31Å; A2502-F2506 WeakPolarHBondContact O-CB 3.35Å; A2502-F2506 PolarHBondContact O-N 3.08Å
2503T81.7Confident81.9Confident8 Ų823 Ų235%0.04912%0.124CC..Hα-helixtrans-61.4-47178.2-40.40000111.5H1699 P1910 I1912 V2501 F2506 S2507H1699-T2503 WeakPolarHBondContact CD2-CG2 3.27Å; P1910-T2503 HydrophobicContact CB-CG2 4.27Å; I1912-T2503 HydrophobicContact CB-CG2 3.82Å; I1912-T2503 HydrophobicContact CD1-CG2 3.29Å; I1912-T2503 HydrophobicContact CG1-CG2 3.62Å; V2501-T2503 VanDerWaalsContact C-N 3.33Å; V2501-T2503 PolarHBondContact O-N 3.41Å; T2503-F2506 PolarHBondContact O-N 3.39Å; T2503-S2507 WeakPolarHBondContact O-CB 3.24Å; T2503-S2507 PolarHBondContact O-N 2.92Å; T2503-S2507 PolarHBondContact O-OG 2.9Å
2504D81.6Confident82.5Confident30 Ų3019 Ų1916%0.1611%0.105CC..Hα-helixtrans-62.7-47.5-178.9-74.1-10.5000111.4V44 I1912 F2499 V2501 S2507 F2508V44-D2504 HydrophobicContact CG1-CB 3.38Å; I1912-D2504 VanDerWaalsContact CD1-OD1 3.24Å; I1912-D2504 WeakPolarHBondContact CD1-OD1 3.37Å; F2499-D2504 HydrophobicContact CB-CB 4.5Å; F2499-D2504 HydrophobicContact CD1-CB 4.44Å; V2501-D2504 HydrophobicContact CB-CB 4.1Å; V2501-D2504 WeakPolarHBondContact CB-OD2 3.37Å; V2501-D2504 HydrophobicContact CG1-CB 4.45Å; V2501-D2504 PolarHBondContact O-N 3.23Å; D2504-S2507 PolarHBondContact O-N 2.87Å; D2504-F2508 VanDerWaalsContact O-CB 3.27Å; D2504-F2508 WeakPolarHBondContact O-CB 3.48Å; D2504-F2508 PolarHBondContact O-N 3.3Å
2505Y86.2Confident83Confident2 Ų219.1 Ų19.11%0.00811%0.106CC..Hα-helixtrans-61-45.5175.6176.9-98.8000112.3L1703 M2495 M2496 F2499 V2501 F2508 R2509 F2577L1703-Y2505 HydrophobicContact CD1-CD1 3.89Å; L1703-Y2505 HydrophobicContact CD2-CD1 4.07Å; L1703-Y2505 HydrophobicContact CD2-CE1 4.02Å; M2495-Y2505 HydrophobicContact CB-CD2 4.4Å; M2495-Y2505 HydrophobicContact CB-CE2 3.87Å; M2496-Y2505 HydrophobicContact CB-CE2 4.49Å; M2496-Y2505 HydrophobicContact CG-CD2 3.98Å; M2496-Y2505 HydrophobicContact CG-CE1 4.26Å; M2496-Y2505 HydrophobicContact CG-CE2 3.56Å; M2496-Y2505 HydrophobicContact CG-CG 4.48Å; F2499-Y2505 HydrophobicContact CB-CD2 4.42Å; V2501-Y2505 PolarHBondContact O-N 3.42Å; V2501-Y2505 VanDerWaalsContact O-N 3.16Å; Y2505-F2508 PolarHBondContact O-N 3.48Å; Y2505-R2509 WeakPolarHBondContact O-CB 3.4Å; Y2505-R2509 PolarHBondContact O-N 3.43Å; Y2505-F2577 HydrophobicContact CE2-CD2 4.39Å; Y2505-F2577 AromaticContact CE2-CE2 3.78Å; Y2505-F2577 HydrophobicContact CE2-CE2 3.78Å; Y2505-F2577 AromaticContact CZ-CE2 3.96Å
2506F85.6Confident83.3Confident2 Ų220 Ų201%0.00911%0.111CC..Hα-helixtrans-62.9-45.2-179.6-173.6-85.1000111.6H1699 L1703 E1744 L1747 A2502 T2503 K2510H1699-F2506 HydrophobicContact CB-CB 4.25Å; H1699-F2506 AromaticContact CE1-CD1 3.52Å; H1699-F2506 AromaticContact CE1-CE1 3.91Å; H1699-F2506 AromaticContact ND1-CD1 3.25Å; H1699-F2506 WeakPolarHBondContact ND1-CD1 3.36Å; H1699-F2506 AromaticContact ND1-CD2 3.92Å; H1699-F2506 AromaticContact ND1-CE1 3.8Å; H1699-F2506 AromaticContact ND1-CG 3.33Å; H1699-F2506 VanDerWaalsContact ND1-CG 3.33Å; H1699-F2506 WeakPolarHBondContact ND1-CG 3.42Å; L1703-F2506 HydrophobicContact CD2-CD2 4.34Å; E1744-F2506 HydrophobicContact CG-CE1 4.46Å; L1747-F2506 HydrophobicContact CD2-CE2 4.03Å; L1747-F2506 HydrophobicContact CD2-CZ 3.85Å; A2502-F2506 VanDerWaalsContact O-CB 3.31Å; A2502-F2506 WeakPolarHBondContact O-CB 3.35Å; A2502-F2506 PolarHBondContact O-N 3.08Å; T2503-F2506 PolarHBondContact O-N 3.39Å; F2506-K2510 WeakPolarHBondContact O-CB 3.23Å; F2506-K2510 PolarHBondContact O-N 3.17Å
2507S83.3Confident83.7Confident32 Ų3217.8 Ų17.822%0.22410%0.1CC..Hα-helixtrans-66.2-42.7177.4-68.50000112.7T2503 D2504 K2510 Q2511T2503-S2507 WeakPolarHBondContact O-CB 3.24Å; T2503-S2507 PolarHBondContact O-N 2.92Å; T2503-S2507 PolarHBondContact O-OG 2.9Å; D2504-S2507 PolarHBondContact O-N 2.87Å; S2507-K2510 PolarHBondContact O-N 3.17Å; S2507-Q2511 PolarHBondContact O-N 3.43Å; S2507-Q2511 VanDerWaalsContact O-N 3.14Å
2508F87.3Confident84.6Confident1 Ų113.9 Ų13.90%0.0048%0.08CC..Hα-helixtrans-59.3-50.9175176.8-94.8000111.2V44 M2495 F2499 D2504 Y2505 K2510 Q2511 V2512 I2538 M2540 G2543 F2577V44-F2508 HydrophobicContact CG2-CB 4.41Å; M2495-F2508 HydrophobicContact CG-CE1 4.43Å; M2495-F2508 HydrophobicContact SD-CE1 3.88Å; M2495-F2508 HydrophobicContact SD-CZ 4.2Å; F2499-F2508 HydrophobicContact CD2-CD1 4.3Å; F2499-F2508 HydrophobicContact CD2-CG 4.33Å; F2499-F2508 HydrophobicContact CE2-CB 4.49Å; F2499-F2508 AromaticContact CE2-CD1 3.92Å; F2499-F2508 HydrophobicContact CE2-CD1 3.92Å; F2499-F2508 AromaticContact CE2-CD2 3.86Å; F2499-F2508 HydrophobicContact CE2-CD2 3.86Å; F2499-F2508 HydrophobicContact CE2-CE1 4.03Å; F2499-F2508 AromaticContact CE2-CE2 3.96Å; F2499-F2508 HydrophobicContact CE2-CE2 3.96Å; F2499-F2508 AromaticContact CE2-CG 3.83Å; F2499-F2508 HydrophobicContact CE2-CG 3.83Å; F2499-F2508 HydrophobicContact CE2-CZ 4.04Å; F2499-F2508 AromaticContact CZ-CD2 3.85Å; F2499-F2508 HydrophobicContact CZ-CD2 3.85Å; F2499-F2508 HydrophobicContact CZ-CE2 4.03Å; F2499-F2508 HydrophobicContact CZ-CG 4.2Å; D2504-F2508 VanDerWaalsContact O-CB 3.27Å; D2504-F2508 WeakPolarHBondContact O-CB 3.48Å; D2504-F2508 PolarHBondContact O-N 3.3Å; Y2505-F2508 PolarHBondContact O-N 3.48Å; F2508-K2510 VanDerWaalsContact C-N 3.32Å; F2508-K2510 PolarHBondContact O-N 2.87Å; F2508-Q2511 PolarHBondContact O-N 3.44Å; F2508-V2512 HydrophobicContact CD1-CG2 4.28Å; F2508-V2512 HydrophobicContact CE1-CG2 3.94Å; F2508-V2512 HydrophobicContact CE2-CG2 4.48Å; F2508-V2512 HydrophobicContact CZ-CG2 4.06Å; F2508-V2512 WeakPolarHBondContact O-CG2 3.41Å; F2508-V2512 PolarHBondContact O-N 2.81Å; F2508-V2512 VanDerWaalsContact O-N 3.08Å; F2508-I2538 HydrophobicContact CE2-CG2 4.01Å; F2508-I2538 HydrophobicContact CZ-CG2 3.74Å; F2508-M2540 HydrophobicContact CE2-CE 4.5Å; F2508-M2540 HydrophobicContact CZ-CE 4.23Å; F2508-M2540 HydrophobicContact CZ-SD 4.35Å; F2508-G2543 VanDerWaalsContact CD2-CA 3.47Å; F2508-G2543 VanDerWaalsContact CE2-CA 3.47Å; F2508-F2577 HydrophobicContact CD1-CZ 4.1Å; F2508-F2577 HydrophobicContact CE1-CZ 4.04Å
2509R89.1Confident85.2Confident2 Ų214.4 Ų14.41%0.0088%0.083CC..Hα-helixtrans-59.8-42.2178.4-176.5-179.566.11712.2111.7E1706 Y2505 Q2511 V2512 C2513 F2577E1706-R2509 IonicContact OE1-CZ 3.93Å; E1706-R2509 IonicContact OE1-NH1 3.6Å; E1706-R2509 PolarHBondContact OE1-NH1 3.04Å; E1706-R2509 IonicContact OE1-NH2 2.81Å; E1706-R2509 PolarHBondContact OE1-NH2 2.99Å; E1706-R2509 IonicContact OE2-CZ 3.43Å; E1706-R2509 IonicContact OE2-NH1 2.76Å; E1706-R2509 PolarHBondContact OE2-NH1 3.16Å; E1706-R2509 IonicContact OE2-NH2 3.45Å; E1706-R2509 PolarHBondContact OE2-NH2 3.09Å; Y2505-R2509 WeakPolarHBondContact O-CB 3.4Å; Y2505-R2509 PolarHBondContact O-N 3.43Å; R2509-Q2511 PolarHBondContact O-N 3.38Å; R2509-V2512 PolarHBondContact O-N 3.47Å; R2509-C2513 PolarHBondContact O-N 2.97Å; R2509-C2513 PolarHBondContact O-SG 3.21Å; R2509-F2577 HydrophobicContact CB-CE1 4.48Å; R2509-F2577 HydrophobicContact CB-CE2 4.26Å; R2509-F2577 HydrophobicContact CB-CZ 3.84Å; R2509-F2577 WeakPolarHBondContact CD-O 3.42Å; R2509-F2577 HydrophobicContact CG-CE1 4.03Å; R2509-F2577 HydrophobicContact CG-CE2 4.18Å; R2509-F2577 HydrophobicContact CG-CZ 3.78Å
2510K87.1Confident85.6Confident40 Ų4014.8 Ų14.817%0.1749%0.085CC..Hα-helixtrans-56.9-47177.4176.3176174.8169.70111.7E1744 F2506 S2507 F2508 C2513 Y2514 Y2585E1744-K2510 IonicContact OE1-NZ 2.85Å; E1744-K2510 PolarHBondContact OE1-NZ 2.98Å; E1744-K2510 IonicContact OE2-NZ 3.19Å; E1744-K2510 PolarHBondContact OE2-NZ 3.29Å; F2506-K2510 WeakPolarHBondContact O-CB 3.23Å; F2506-K2510 PolarHBondContact O-N 3.17Å; S2507-K2510 PolarHBondContact O-N 3.17Å; F2508-K2510 VanDerWaalsContact C-N 3.32Å; F2508-K2510 PolarHBondContact O-N 2.87Å; K2510-C2513 PolarHBondContact O-N 3.3Å; K2510-Y2514 HydrophobicContact CD-CE2 4.39Å; K2510-Y2514 HydrophobicContact CG-CD2 4.17Å; K2510-Y2514 HydrophobicContact CG-CE2 3.8Å; K2510-Y2514 WeakPolarHBondContact O-CD2 3.33Å; K2510-Y2514 PolarHBondContact O-N 3.5Å; K2510-Y2585 HydrophobicContact CB-CE2 4.32Å; K2510-Y2585 HydrophobicContact CD-CE1 4.28Å; K2510-Y2585 HydrophobicContact CG-CD1 4.49Å; K2510-Y2585 HydrophobicContact CG-CD2 4.49Å; K2510-Y2585 HydrophobicContact CG-CE1 4.18Å; K2510-Y2585 HydrophobicContact CG-CE2 4.2Å
2511Q87.3Confident86.5Confident17 Ų1712.3 Ų12.38%0.0797%0.068CC..Hα-helixtrans-64.6-45.3178.5-170.961.139.500111.8P41 S2507 F2508 R2509 C2513 Y2514 D2515 F2544P41-Q2511 HydrophobicContact CG-CG 4.26Å; S2507-Q2511 PolarHBondContact O-N 3.43Å; S2507-Q2511 VanDerWaalsContact O-N 3.14Å; F2508-Q2511 PolarHBondContact O-N 3.44Å; R2509-Q2511 PolarHBondContact O-N 3.38Å; Q2511-C2513 VanDerWaalsContact C-N 3.27Å; Q2511-C2513 PolarHBondContact O-N 2.82Å; Q2511-Y2514 PolarHBondContact O-N 2.97Å; Q2511-Y2514 VanDerWaalsContact O-N 3.16Å; Q2511-D2515 PolarHBondContact NE2-OD1 3.17Å; Q2511-D2515 PolarHBondContact O-N 3.32Å; Q2511-D2515 VanDerWaalsContact O-N 3.1Å; Q2511-F2544 HydrophobicContact CG-CD1 3.88Å; Q2511-F2544 HydrophobicContact CG-CE1 4.18Å; Q2511-F2544 VanDerWaalsContact NE2-CE1 3.3Å
2512V89.4Confident87.1Confident6 Ų69.6 Ų9.64%0.0365%0.052CC..Hα-helixtrans-59.2-39.9177.3175.90000111.1F2508 R2509 Y2514 D2515 V2516 G2543 V2545 F2577 L2578F2508-V2512 HydrophobicContact CD1-CG2 4.28Å; F2508-V2512 HydrophobicContact CE1-CG2 3.94Å; F2508-V2512 HydrophobicContact CE2-CG2 4.48Å; F2508-V2512 HydrophobicContact CZ-CG2 4.06Å; F2508-V2512 WeakPolarHBondContact O-CG2 3.41Å; F2508-V2512 PolarHBondContact O-N 2.81Å; F2508-V2512 VanDerWaalsContact O-N 3.08Å; R2509-V2512 PolarHBondContact O-N 3.47Å; V2512-Y2514 PolarHBondContact O-N 3.15Å; V2512-D2515 PolarHBondContact O-N 3.48Å; V2512-V2516 HydrophobicContact CG1-CG2 3.92Å; V2512-V2516 VanDerWaalsContact O-CB 3.3Å; V2512-V2516 WeakPolarHBondContact O-CB 3.23Å; V2512-V2516 VanDerWaalsContact O-CG2 3.22Å; V2512-V2516 WeakPolarHBondContact O-CG2 3.3Å; V2512-V2516 PolarHBondContact O-N 2.86Å; V2512-G2543 VanDerWaalsContact CG2-O 3.25Å; V2512-G2543 WeakPolarHBondContact CG2-O 3.08Å; V2512-V2545 HydrophobicContact CB-CG2 4.39Å; V2512-V2545 HydrophobicContact CG1-CG2 3.99Å; V2512-V2545 HydrophobicContact CG2-CG2 4.27Å; V2512-F2577 HydrophobicContact CB-CE1 4.23Å; V2512-F2577 HydrophobicContact CG1-CE1 3.94Å; V2512-L2578 HydrophobicContact CG1-CD2 4.22Å
2513C90.9Very high87.4Confident0 Ų09.4 Ų9.40%05%0.05CC..Hα-helixtrans-61.5-41.3177.7-64.90000112.7R2509 K2510 Q2511 G2517 L2578 Y2585 S2586R2509-C2513 PolarHBondContact O-N 2.97Å; R2509-C2513 PolarHBondContact O-SG 3.21Å; K2510-C2513 PolarHBondContact O-N 3.3Å; Q2511-C2513 VanDerWaalsContact C-N 3.27Å; Q2511-C2513 PolarHBondContact O-N 2.82Å; C2513-G2517 PolarHBondContact O-N 3.26Å; C2513-G2517 VanDerWaalsContact O-N 3.07Å; C2513-L2578 HydrophobicContact CB-CD2 4.27Å; C2513-L2578 WeakPolarHBondContact SG-CD2 3.43Å; C2513-Y2585 HydrophobicContact CB-CD2 4.09Å; C2513-Y2585 HydrophobicContact CB-CG 4.3Å; C2513-S2586 PolarHBondContact O-OG 3.01Å
2514Y89.8Confident87.7Confident12 Ų1210.8 Ų10.85%0.0476%0.055CC..Hα-helixtrans-66.9-47.6178.3-77.1-54.9000111.9D1746 R2406 L2408 K2510 Q2511 V2512 G2517 L2518 Y2585 A2589D1746-Y2514 PolarHBondContact OD2-OH 3.42Å; R2406-Y2514 HydrophobicContact CB-CE1 4.24Å; R2406-Y2514 HydrophobicContact CG-CE1 4.31Å; L2408-Y2514 HydrophobicContact CD2-CD1 3.67Å; L2408-Y2514 HydrophobicContact CD2-CE1 4.34Å; L2408-Y2514 HydrophobicContact CD2-CG 4.11Å; K2510-Y2514 HydrophobicContact CD-CE2 4.39Å; K2510-Y2514 HydrophobicContact CG-CD2 4.17Å; K2510-Y2514 HydrophobicContact CG-CE2 3.8Å; K2510-Y2514 WeakPolarHBondContact O-CD2 3.33Å; K2510-Y2514 PolarHBondContact O-N 3.5Å; Q2511-Y2514 PolarHBondContact O-N 2.97Å; Q2511-Y2514 VanDerWaalsContact O-N 3.16Å; V2512-Y2514 PolarHBondContact O-N 3.15Å; Y2514-G2517 PolarHBondContact O-N 3.35Å; Y2514-L2518 PolarHBondContact O-N 2.99Å; Y2514-Y2585 HydrophobicContact CE1-CD1 4.1Å; Y2514-Y2585 HydrophobicContact CE1-CG 4.48Å; Y2514-Y2585 HydrophobicContact CE2-CD1 4.12Å; Y2514-Y2585 AromaticContact CZ-CD1 3.63Å; Y2514-Y2585 WeakPolarHBondContact OH-CD1 3.37Å; Y2514-A2589 HydrophobicContact CD1-CB 4.06Å
2515D89.3Confident88Confident5 Ų59.4 Ų9.43%0.0275%0.047CC..Hα-helixtrans-68.5-43.9-176.7-66.5-2.5000111.7Q2511 V2512 G2517 L2518 L2519 F2544 V2545Q2511-D2515 PolarHBondContact NE2-OD1 3.17Å; Q2511-D2515 PolarHBondContact O-N 3.32Å; Q2511-D2515 VanDerWaalsContact O-N 3.1Å; V2512-D2515 PolarHBondContact O-N 3.48Å; D2515-G2517 VanDerWaalsContact C-N 3.26Å; D2515-G2517 PolarHBondContact O-N 2.8Å; D2515-L2518 PolarHBondContact O-N 3.14Å; D2515-L2519 WeakPolarHBondContact O-CB 3.39Å; D2515-L2519 WeakPolarHBondContact O-CG 3.47Å; D2515-L2519 PolarHBondContact O-N 3.07Å; D2515-F2544 WeakPolarHBondContact OD2-CA 3.46Å; D2515-F2544 WeakPolarHBondContact OD2-CD1 3.43Å; D2515-V2545 HydrophobicContact CB-CB 3.85Å; D2515-V2545 HydrophobicContact CB-CG2 4.08Å; D2515-V2545 PolarHBondContact OD2-N 3.23Å
2516V88.8Confident88Confident18 Ų189.3 Ų9.311%0.1095%0.047CC..Hα-helixtrans-61.8-38.3174.6173.20000110.5V2512 L2519 N2520 V2545 L2578V2512-V2516 HydrophobicContact CG1-CG2 3.92Å; V2512-V2516 VanDerWaalsContact O-CB 3.3Å; V2512-V2516 WeakPolarHBondContact O-CB 3.23Å; V2512-V2516 VanDerWaalsContact O-CG2 3.22Å; V2512-V2516 WeakPolarHBondContact O-CG2 3.3Å; V2512-V2516 PolarHBondContact O-N 2.86Å; V2516-L2519 PolarHBondContact O-N 3.29Å; V2516-N2520 VanDerWaalsContact O-CB 3.28Å; V2516-N2520 WeakPolarHBondContact O-CB 3.31Å; V2516-N2520 PolarHBondContact O-N 3.11Å; V2516-N2520 PolarHBondContact O-ND2 3.24Å; V2516-V2545 HydrophobicContact CG2-CG2 4.15Å; V2516-L2578 HydrophobicContact CG1-CD1 4.33Å
2517G88.2Confident88Confident0 Ų010.1 Ų10.10%05%0.051CC..Hα-helixtrans-59.1-49.6173.200000112.5C2513 Y2514 D2515 N2520 F2521 M2590C2513-G2517 PolarHBondContact O-N 3.26Å; C2513-G2517 VanDerWaalsContact O-N 3.07Å; Y2514-G2517 PolarHBondContact O-N 3.35Å; D2515-G2517 VanDerWaalsContact C-N 3.26Å; D2515-G2517 PolarHBondContact O-N 2.8Å; G2517-N2520 PolarHBondContact O-N 3.05Å; G2517-F2521 WeakPolarHBondContact O-CB 3.49Å; G2517-F2521 PolarHBondContact O-N 3.29Å; G2517-M2590 WeakPolarHBondContact O-CG 3.26Å
2518L89.2Confident88.2Confident1 Ų18.6 Ų8.61%0.0054%0.04CC..Hα-helixtrans-63.8-42177.2-78.8171.7000112.8L2408 F2410 Y2514 D2515 F2521 A2522 A2589L2408-L2518 HydrophobicContact CB-CD1 3.97Å; L2408-L2518 HydrophobicContact CD2-CD1 4.07Å; L2408-L2518 HydrophobicContact CD2-CG 4.41Å; F2410-L2518 HydrophobicContact CD1-CB 4.24Å; F2410-L2518 HydrophobicContact CE1-CB 3.87Å; F2410-L2518 WeakPolarHBondContact CE1-O 3.24Å; F2410-L2518 HydrophobicContact CZ-CB 4.43Å; F2410-L2518 HydrophobicContact CZ-CD2 4.25Å; Y2514-L2518 PolarHBondContact O-N 2.99Å; D2515-L2518 PolarHBondContact O-N 3.14Å; L2518-F2521 WeakPolarHBondContact O-CB 3.38Å; L2518-F2521 PolarHBondContact O-N 3.18Å; L2518-A2522 PolarHBondContact O-N 3.4Å; L2518-A2589 HydrophobicContact CG-CB 4.39Å
2519L88.8Confident87.9Confident12 Ų129.9 Ų9.96%0.0635%0.049CC..Hα-helixtrans-65-42.8178.5-75.8174.6000111.9D2515 V2516 F2521 A2522 Q2523 F2531 L2536 V2545 T2547D2515-L2519 WeakPolarHBondContact O-CB 3.39Å; D2515-L2519 WeakPolarHBondContact O-CG 3.47Å; D2515-L2519 PolarHBondContact O-N 3.07Å; V2516-L2519 PolarHBondContact O-N 3.29Å; L2519-F2521 VanDerWaalsContact C-N 3.32Å; L2519-F2521 PolarHBondContact O-N 3.08Å; L2519-A2522 PolarHBondContact O-N 3.48Å; L2519-Q2523 WeakPolarHBondContact O-CB 3.21Å; L2519-Q2523 PolarHBondContact O-N 3.49Å; L2519-F2531 HydrophobicContact CB-CE1 4.46Å; L2519-F2531 HydrophobicContact CB-CE2 4.17Å; L2519-F2531 HydrophobicContact CB-CZ 3.69Å; L2519-F2531 HydrophobicContact CD2-CE1 4.35Å; L2519-F2531 HydrophobicContact CD2-CZ 4.2Å; L2519-F2531 HydrophobicContact CG-CZ 4.41Å; L2519-L2536 HydrophobicContact CD1-CD2 4.27Å; L2519-V2545 HydrophobicContact CD1-CB 4.18Å; L2519-V2545 HydrophobicContact CD1-CG1 3.7Å; L2519-T2547 HydrophobicContact CD2-CG2 4.11Å
2520N87.9Confident87.2Confident8 Ų810.8 Ų10.84%0.0436%0.055CC..Hα-helixtrans-63.3-39.8174.5-73.5-15000111.6V2516 G2517 Y2524 F2568V2516-N2520 VanDerWaalsContact O-CB 3.28Å; V2516-N2520 WeakPolarHBondContact O-CB 3.31Å; V2516-N2520 PolarHBondContact O-N 3.11Å; V2516-N2520 PolarHBondContact O-ND2 3.24Å; G2517-N2520 PolarHBondContact O-N 3.05Å; N2520-Y2524 PolarHBondContact O-N 3.02Å; N2520-F2568 HydrophobicContact CB-CB 4.07Å; N2520-F2568 HydrophobicContact CB-CD1 4.2Å; N2520-F2568 HydrophobicContact CB-CD2 3.73Å; N2520-F2568 HydrophobicContact CB-CE2 4.22Å; N2520-F2568 HydrophobicContact CB-CG 3.73Å
2521F88.4Confident86.8Confident0 Ų09.3 Ų9.30%05%0.049CC..Hα-helixtrans-57.4-52.8170.6157.7-107.8000111.5F2410 G2517 L2518 L2519 Q2523 Y2524 F2525 M2590 A2594 L2597 L2641 L2644F2410-F2521 AromaticContact CZ-CD1 3.94Å; F2410-F2521 HydrophobicContact CZ-CD1 3.94Å; F2410-F2521 HydrophobicContact CZ-CE1 4.06Å; G2517-F2521 WeakPolarHBondContact O-CB 3.49Å; G2517-F2521 PolarHBondContact O-N 3.29Å; L2518-F2521 WeakPolarHBondContact O-CB 3.38Å; L2518-F2521 PolarHBondContact O-N 3.18Å; L2519-F2521 VanDerWaalsContact C-N 3.32Å; L2519-F2521 PolarHBondContact O-N 3.08Å; F2521-Q2523 PolarHBondContact O-N 2.62Å; F2521-Y2524 PolarHBondContact O-N 3.19Å; F2521-F2525 HydrophobicContact CD1-CD1 4.06Å; F2521-F2525 HydrophobicContact CD1-CE1 4.1Å; F2521-F2525 HydrophobicContact CD2-CD1 4.07Å; F2521-F2525 AromaticContact CE1-CD1 3.67Å; F2521-F2525 HydrophobicContact CE1-CD1 3.67Å; F2521-F2525 AromaticContact CE1-CE1 3.5Å; F2521-F2525 HydrophobicContact CE1-CE1 3.5Å; F2521-F2525 HydrophobicContact CE1-CZ 4.46Å; F2521-F2525 HydrophobicContact CE2-CB 4.32Å; F2521-F2525 AromaticContact CE2-CD1 3.68Å; F2521-F2525 HydrophobicContact CE2-CD1 3.68Å; F2521-F2525 HydrophobicContact CE2-CE1 4.31Å; F2521-F2525 HydrophobicContact CE2-CG 4.18Å; F2521-F2525 HydrophobicContact CG-CD1 4.25Å; F2521-F2525 AromaticContact CZ-CD1 3.48Å; F2521-F2525 HydrophobicContact CZ-CD1 3.48Å; F2521-F2525 VanDerWaalsContact CZ-CD1 3.48Å; F2521-F2525 AromaticContact CZ-CE1 3.64Å; F2521-F2525 HydrophobicContact CZ-CE1 3.64Å; F2521-F2525 HydrophobicContact CZ-CG 4.2Å; F2521-F2525 HydrophobicContact CZ-CZ 4.42Å; F2521-F2525 WeakPolarHBondContact O-CD1 3.28Å; F2521-F2525 PolarHBondContact O-N 3.36Å; F2521-M2590 HydrophobicContact CB-CB 4.21Å; F2521-M2590 HydrophobicContact CB-CG 3.97Å; F2521-A2594 HydrophobicContact CD2-CB 4.36Å; F2521-A2594 HydrophobicContact CE2-CB 3.67Å; F2521-A2594 HydrophobicContact CZ-CB 4.33Å; F2521-L2597 HydrophobicContact CE1-CD1 3.93Å; F2521-L2597 HydrophobicContact CZ-CD1 3.8Å; F2521-L2641 HydrophobicContact CE2-CD2 3.81Å; F2521-L2641 HydrophobicContact CZ-CD2 3.81Å; F2521-L2644 HydrophobicContact CD2-CD1 3.83Å; F2521-L2644 HydrophobicContact CE2-CD1 4.18Å
2522A88Confident86.4Confident0 Ų011.2 Ų11.20%06%0.055CC..Hα-helixtrans-59.6-43.1-179.900000113.2F2390 F2410 L2518 L2519 Y2524 F2525 L2526 L2528F2390-A2522 HydrophobicContact CE1-CB 3.68Å; F2390-A2522 HydrophobicContact CZ-CB 3.91Å; F2410-A2522 HydrophobicContact CE1-CB 3.68Å; F2410-A2522 HydrophobicContact CZ-CB 4.11Å; L2518-A2522 PolarHBondContact O-N 3.4Å; L2519-A2522 PolarHBondContact O-N 3.48Å; A2522-Y2524 VanDerWaalsContact C-N 3.3Å; A2522-Y2524 PolarHBondContact O-N 3.27Å; A2522-F2525 HydrophobicContact CB-CE1 4.23Å; A2522-L2526 WeakPolarHBondContact O-CB 3.24Å; A2522-L2526 PolarHBondContact O-N 3.44Å; A2522-L2526 VanDerWaalsContact O-N 3.13Å; A2522-L2528 HydrophobicContact CB-CD1 4.35Å
2523Q88.5Confident85.9Confident2 Ų211.2 Ų11.21%0.0096%0.055CC..Hα-helixtrans-59.1-43.3178.6-171.3-172.2-6.200111.5L2519 F2521 F2527 L2528 F2531 F2568L2519-Q2523 WeakPolarHBondContact O-CB 3.21Å; L2519-Q2523 PolarHBondContact O-N 3.49Å; F2521-Q2523 PolarHBondContact O-N 2.62Å; Q2523-F2527 WeakPolarHBondContact O-CA 3.42Å; Q2523-F2527 PolarHBondContact O-N 3.45Å; Q2523-L2528 PolarHBondContact O-N 3.23Å; Q2523-L2528 VanDerWaalsContact O-N 3.15Å; Q2523-F2531 HydrophobicContact CB-CE2 3.82Å; Q2523-F2531 HydrophobicContact CB-CZ 4.18Å; Q2523-F2531 HydrophobicContact CG-CE2 4.19Å; Q2523-F2568 HydrophobicContact CB-CB 4.5Å; Q2523-F2568 VanDerWaalsContact OE1-CA 3.32Å
2524Y87.7Confident85.2Confident37 Ų3711.9 Ų11.915%0.1456%0.058CC..Hα-helixtrans-71.9-50.8-179.4-178.1-98.2000112.6N2520 F2521 A2522 F2527 P2567 R2640 E2643 L2644 L2657N2520-Y2524 PolarHBondContact O-N 3.02Å; F2521-Y2524 PolarHBondContact O-N 3.19Å; A2522-Y2524 VanDerWaalsContact C-N 3.3Å; A2522-Y2524 PolarHBondContact O-N 3.27Å; Y2524-F2527 PolarHBondContact O-N 3.38Å; Y2524-P2567 HydrophobicContact CD2-CB 3.85Å; Y2524-P2567 HydrophobicContact CE2-CB 4.21Å; Y2524-R2640 HydrophobicContact CD1-CB 4.36Å; Y2524-R2640 HydrophobicContact CE1-CB 3.93Å; Y2524-R2640 HydrophobicContact CE1-CG 3.99Å; Y2524-R2640 WeakPolarHBondContact O-CD 3.28Å; Y2524-E2643 PolarHBondContact OH-OE2 3.45Å; Y2524-L2644 HydrophobicContact CD1-CD1 3.65Å; Y2524-L2644 HydrophobicContact CD1-CG 4.23Å; Y2524-L2644 HydrophobicContact CE1-CD1 4.1Å; Y2524-L2644 HydrophobicContact CE1-CD2 4.49Å; Y2524-L2644 HydrophobicContact CE1-CG 4.19Å; Y2524-L2657 HydrophobicContact CD1-CD1 4.41Å; Y2524-L2657 HydrophobicContact CD2-CD1 4.34Å; Y2524-L2657 HydrophobicContact CE1-CD1 4.01Å; Y2524-L2657 HydrophobicContact CE2-CD1 3.95Å; Y2524-L2657 HydrophobicContact CE2-CD2 3.86Å
2525F87.2Confident84.6Confident0 Ų012.8 Ų12.80%06%0.063CC..Hα-helixtrans-73.9-36.6-170.495.3-99.1000112.9F2393 F2521 A2522 L2597 I2606 I2637 L2641F2393-F2525 HydrophobicContact CD2-CZ 4.46Å; F2393-F2525 AromaticContact CE2-CZ 3.73Å; F2393-F2525 HydrophobicContact CE2-CZ 3.73Å; F2393-F2525 HydrophobicContact CZ-CE2 4.4Å; F2393-F2525 AromaticContact CZ-CZ 3.95Å; F2393-F2525 HydrophobicContact CZ-CZ 3.95Å; F2521-F2525 HydrophobicContact CD1-CD1 4.06Å; F2521-F2525 HydrophobicContact CD1-CE1 4.1Å; F2521-F2525 HydrophobicContact CD2-CD1 4.07Å; F2521-F2525 AromaticContact CE1-CD1 3.67Å; F2521-F2525 HydrophobicContact CE1-CD1 3.67Å; F2521-F2525 AromaticContact CE1-CE1 3.5Å; F2521-F2525 HydrophobicContact CE1-CE1 3.5Å; F2521-F2525 HydrophobicContact CE1-CZ 4.46Å; F2521-F2525 HydrophobicContact CE2-CB 4.32Å; F2521-F2525 AromaticContact CE2-CD1 3.68Å; F2521-F2525 HydrophobicContact CE2-CD1 3.68Å; F2521-F2525 HydrophobicContact CE2-CE1 4.31Å; F2521-F2525 HydrophobicContact CE2-CG 4.18Å; F2521-F2525 HydrophobicContact CG-CD1 4.25Å; F2521-F2525 AromaticContact CZ-CD1 3.48Å; F2521-F2525 HydrophobicContact CZ-CD1 3.48Å; F2521-F2525 VanDerWaalsContact CZ-CD1 3.48Å; F2521-F2525 AromaticContact CZ-CE1 3.64Å; F2521-F2525 HydrophobicContact CZ-CE1 3.64Å; F2521-F2525 HydrophobicContact CZ-CG 4.2Å; F2521-F2525 HydrophobicContact CZ-CZ 4.42Å; F2521-F2525 WeakPolarHBondContact O-CD1 3.28Å; F2521-F2525 PolarHBondContact O-N 3.36Å; A2522-F2525 HydrophobicContact CB-CE1 4.23Å; F2525-L2597 HydrophobicContact CE1-CD1 4.03Å; F2525-L2597 HydrophobicContact CE2-CD1 4.2Å; F2525-L2597 HydrophobicContact CZ-CD1 3.61Å; F2525-I2606 HydrophobicContact CE2-CD1 4.16Å; F2525-I2637 HydrophobicContact CD2-CG2 3.98Å; F2525-I2637 HydrophobicContact CE2-CG2 4.4Å; F2525-L2641 HydrophobicContact CB-CD2 4.01Å; F2525-L2641 HydrophobicContact CB-CG 4.28Å; F2525-L2641 HydrophobicContact CD1-CD2 4.37Å; F2525-L2641 HydrophobicContact CD2-CD1 4.05Å; F2525-L2641 HydrophobicContact CD2-CD2 3.67Å; F2525-L2641 HydrophobicContact CD2-CG 3.82Å; F2525-L2641 HydrophobicContact CE2-CD1 4.31Å; F2525-L2641 HydrophobicContact CE2-CD2 4.18Å; F2525-L2641 HydrophobicContact CE2-CG 4.48Å; F2525-L2641 HydrophobicContact CG-CD2 3.79Å; F2525-L2641 HydrophobicContact CG-CG 4.26Å
2526L85.3Confident84.3Confident0 Ų013.3 Ų13.30%07%0.065CC..Hα-helixtrans-88.7-8.1177-69176.1000114L2386 F2390 F2393 A2522 L2528 F2552 I2606L2386-L2526 HydrophobicContact CD1-CD1 4.21Å; F2390-L2526 HydrophobicContact CE1-CD1 4.17Å; F2390-L2526 HydrophobicContact CZ-CD1 4.18Å; F2393-L2526 HydrophobicContact CE2-CD1 4.16Å; A2522-L2526 WeakPolarHBondContact O-CB 3.24Å; A2522-L2526 PolarHBondContact O-N 3.44Å; A2522-L2526 VanDerWaalsContact O-N 3.13Å; L2526-L2528 HydrophobicContact CB-CD1 4.33Å; L2526-L2528 HydrophobicContact CB-CD2 3.79Å; L2526-L2528 HydrophobicContact CB-CG 3.8Å; L2526-L2528 HydrophobicContact CD1-CD1 4.25Å; L2526-L2528 HydrophobicContact CD1-CD2 4.24Å; L2526-L2528 HydrophobicContact CD1-CG 4.47Å; L2526-F2552 HydrophobicContact CB-CE1 4.17Å; L2526-F2552 HydrophobicContact CD2-CE1 4.13Å; L2526-I2606 HydrophobicContact CD2-CD1 4.08Å; L2526-I2606 HydrophobicContact CD2-CG2 4.5Å
2527F87.1Confident84Confident20 Ų2013 Ų139%0.0886%0.063CC..THydrogen-bonded Turntrans56.455.1-172.7-145-110.6000112.9Q2523 Y2524 D2553 M2560 Q2562 R2640Q2523-F2527 WeakPolarHBondContact O-CA 3.42Å; Q2523-F2527 PolarHBondContact O-N 3.45Å; Y2524-F2527 PolarHBondContact O-N 3.38Å; F2527-D2553 HydrophobicContact CD1-CB 4.13Å; F2527-D2553 WeakPolarHBondContact CD1-O 3.18Å; F2527-D2553 HydrophobicContact CE1-CB 4.44Å; F2527-D2553 WeakPolarHBondContact O-CB 3.23Å; F2527-D2553 PolarHBondContact O-N 3Å; F2527-D2553 VanDerWaalsContact O-N 3.16Å; F2527-M2560 HydrophobicContact CB-CB 4.14Å; F2527-M2560 HydrophobicContact CB-SD 4.09Å; F2527-M2560 HydrophobicContact CD1-CB 4.18Å; F2527-M2560 HydrophobicContact CG-CB 4.33Å; F2527-Q2562 HydrophobicContact CE1-CB 4.07Å; F2527-Q2562 HydrophobicContact CE1-CG 4.32Å; F2527-Q2562 HydrophobicContact CZ-CB 3.87Å; F2527-Q2562 WeakPolarHBondContact CZ-O 3.17Å; F2527-R2640 VanDerWaalsContact CD2-NH1 3.28Å
2528L86.6Confident83.9Confident0 Ų013.2 Ų13.20%06%0.064CC..BIsolated β-bridgetrans-79159.6-180-56.2173.8000111.5L2386 F2390 A2522 Q2523 L2526 L2551 F2552 R2564L2386-L2528 HydrophobicContact CD1-CD2 3.75Å; L2386-L2528 HydrophobicContact CD2-CD1 4.39Å; L2386-L2528 HydrophobicContact CD2-CD2 3.92Å; F2390-L2528 HydrophobicContact CE2-CD1 4.43Å; F2390-L2528 HydrophobicContact CZ-CD1 3.79Å; A2522-L2528 HydrophobicContact CB-CD1 4.35Å; Q2523-L2528 PolarHBondContact O-N 3.23Å; Q2523-L2528 VanDerWaalsContact O-N 3.15Å; L2526-L2528 HydrophobicContact CB-CD1 4.33Å; L2526-L2528 HydrophobicContact CB-CD2 3.79Å; L2526-L2528 HydrophobicContact CB-CG 3.8Å; L2526-L2528 HydrophobicContact CD1-CD1 4.25Å; L2526-L2528 HydrophobicContact CD1-CD2 4.24Å; L2526-L2528 HydrophobicContact CD1-CG 4.47Å; L2528-L2551 CarbonylContact C-O 3.3Å; L2528-L2551 WeakPolarHBondContact CA-O 3.43Å; L2528-F2552 HydrophobicContact CD2-CD1 4.19Å; L2528-F2552 HydrophobicContact CD2-CE1 4.32Å; L2528-R2564 VanDerWaalsContact O-CZ 3.31Å; L2528-R2564 PolarHBondContact O-NH1 3.27Å; L2528-R2564 PolarHBondContact O-NH2 2.91Å
2529S80.9Confident83.7Confident27 Ų2713.6 Ų13.619%0.1897%0.067CC..PPolyproline II helixtrans-51144.9167.353.10000111.2L2551S2529-L2551 PolarHBondContact N-O 3.32Å; S2529-L2551 PolarHBondContact OG-N 3.36Å; S2529-L2551 VanDerWaalsContact OG-N 3.07Å
2530P75.4Confident83.4Confident21 Ų2113 Ų1314%0.1366%0.064CC..PPolyproline II helixtrans-70.3150.1-176.115.3-3.6000112Y2532 R2564 W2674P2530-Y2532 PolarHBondContact O-N 3.01Å; P2530-R2564 VanDerWaalsContact CD-NH2 3.28Å; P2530-W2674 HydrophobicContact CB-CH2 4.38Å; P2530-W2674 HydrophobicContact CB-CZ3 4.1Å; P2530-W2674 HydrophobicContact CG-CH2 3.51Å; P2530-W2674 HydrophobicContact CG-CZ2 4.33Å; P2530-W2674 HydrophobicContact CG-CZ3 3.71Å
2531F78.3Confident82.9Confident10 Ų1012.8 Ų12.84%0.0446%0.063CC..PPolyproline II helixtrans-73121.8179.4-61.1-67.3000111.8L2519 Q2523 L2536 T2547 Q2550 R2569L2519-F2531 HydrophobicContact CB-CE1 4.46Å; L2519-F2531 HydrophobicContact CB-CE2 4.17Å; L2519-F2531 HydrophobicContact CB-CZ 3.69Å; L2519-F2531 HydrophobicContact CD2-CE1 4.35Å; L2519-F2531 HydrophobicContact CD2-CZ 4.2Å; L2519-F2531 HydrophobicContact CG-CZ 4.41Å; Q2523-F2531 HydrophobicContact CB-CE2 3.82Å; Q2523-F2531 HydrophobicContact CB-CZ 4.18Å; Q2523-F2531 HydrophobicContact CG-CE2 4.19Å; F2531-L2536 HydrophobicContact CB-CD1 3.88Å; F2531-L2536 HydrophobicContact CB-CD2 4.32Å; F2531-L2536 HydrophobicContact CB-CG 4.09Å; F2531-L2536 HydrophobicContact CD1-CD2 3.66Å; F2531-L2536 HydrophobicContact CD1-CG 4.27Å; F2531-L2536 HydrophobicContact CE1-CD2 4.1Å; F2531-L2536 HydrophobicContact CG-CD1 4.32Å; F2531-L2536 HydrophobicContact CG-CD2 4.04Å; F2531-L2536 HydrophobicContact CG-CG 4.36Å; F2531-T2547 HydrophobicContact CD1-CG2 4.44Å; F2531-T2547 HydrophobicContact CE1-CG2 3.86Å; F2531-Q2550 HydrophobicContact CE1-CG 4.23Å; F2531-R2569 WeakPolarHBondContact O-CD 3.15Å; F2531-R2569 PolarHBondContact O-NH1 3.36Å
2532Y78.5Confident82.5Confident57 Ų5713.2 Ų13.222%0.2247%0.066CC..PPolyproline II helixtrans-84140.6161.7-66-102.9000109.2P2530 E2534 H2535 L2536 W2674P2530-Y2532 PolarHBondContact O-N 3.01Å; Y2532-E2534 PolarHBondContact O-N 3.17Å; Y2532-H2535 WeakPolarHBondContact CB-ND1 3.47Å; Y2532-H2535 AromaticContact CD2-ND1 3.7Å; Y2532-H2535 AromaticContact CG-ND1 3.76Å; Y2532-H2535 PolarHBondContact O-N 3.06Å; Y2532-L2536 PolarHBondContact O-N 3.28Å; Y2532-W2674 AromaticContact CE1-CD1 3.41Å; Y2532-W2674 VanDerWaalsContact CE1-CD1 3.41Å; Y2532-W2674 AromaticContact CE1-CE2 3.95Å; Y2532-W2674 HydrophobicContact CE1-CG 4.25Å; Y2532-W2674 AromaticContact CE1-NE1 3.2Å; Y2532-W2674 AromaticContact CZ-CE2 3.8Å; Y2532-W2674 AromaticContact CZ-NE1 3.43Å; Y2532-W2674 WeakPolarHBondContact OH-CZ2 3.46Å; Y2532-W2674 PolarHBondContact OH-NE1 3.4Å; Y2532-W2674 VanDerWaalsContact OH-NE1 3.15Å
2533L79.6Confident82.2Confident5 Ų513.2 Ų13.23%0.0267%0.066CC..THydrogen-bonded Turntrans-62-25.5179.9-70.6176.8000112.9I2434 L2435 F2438 R2569 I2574 F2675 L2678I2434-L2533 HydrophobicContact CB-CD2 4.35Å; I2434-L2533 HydrophobicContact CG2-CD2 3.89Å; I2434-L2533 PolarHBondContact N-O 3.32Å; L2435-L2533 HydrophobicContact CB-CB 3.89Å; L2435-L2533 HydrophobicContact CD1-CB 4.22Å; L2435-L2533 HydrophobicContact CD1-CD1 4.34Å; L2435-L2533 PolarHBondContact N-O 2.99Å; L2435-L2533 VanDerWaalsContact N-O 3.13Å; F2438-L2533 HydrophobicContact CD2-CD1 4.38Å; F2438-L2533 HydrophobicContact CE2-CD1 4.42Å; L2533-R2569 VanDerWaalsContact CD1-NH2 3.34Å; L2533-I2574 HydrophobicContact CD2-CD1 3.99Å; L2533-F2675 HydrophobicContact CD1-CB 4.19Å; L2533-L2678 HydrophobicContact CD1-CB 3.77Å; L2533-L2678 HydrophobicContact CD1-CD1 4.42Å
2534E74.8Confident82.1Confident14 Ų1414.1 Ų14.17%0.0657%0.07CC..THydrogen-bonded Turntrans-71.2-32.6173.844.3172.5-159.400113.3S2433 L2435 Y2532S2433-E2534 WeakPolarHBondContact CB-O 3.24Å; L2435-E2534 HydrophobicContact CB-CB 4.43Å; L2435-E2534 HydrophobicContact CD2-CB 4.03Å; Y2532-E2534 PolarHBondContact O-N 3.17Å
2535H77.3Confident82Confident32 Ų3212.4 Ų12.415%0.1486%0.063CC..THydrogen-bonded Turntrans-88.3-7-178.1-64.8140.7000113.6Y2532 T2547 H2549Y2532-H2535 WeakPolarHBondContact CB-ND1 3.47Å; Y2532-H2535 AromaticContact CD2-ND1 3.7Å; Y2532-H2535 AromaticContact CG-ND1 3.76Å; Y2532-H2535 PolarHBondContact O-N 3.06Å; H2535-T2547 WeakPolarHBondContact O-CB 3.42Å; H2535-T2547 PolarHBondContact O-OG1 3.16Å; H2535-H2549 HydrophobicContact CB-CB 4.13Å; H2535-H2549 AromaticContact CD2-CD2 3.64Å; H2535-H2549 AromaticContact CD2-CG 3.47Å; H2535-H2549 VanDerWaalsContact CD2-CG 3.47Å; H2535-H2549 AromaticContact CD2-ND1 3.74Å; H2535-H2549 AromaticContact CG-CG 3.84Å; H2535-H2549 AromaticContact NE2-CE1 3.97Å; H2535-H2549 AromaticContact NE2-CG 3.72Å; H2535-H2549 AromaticContact NE2-ND1 3.54Å
2536L83.4Confident81.9Confident15 Ų1513.5 Ų13.58%0.0797%0.071CC..  trans-91.6110.7172.8-72.9173.3000109.6S2433 I2434 L2519 F2531 Y2532 V2545S2433-L2536 CarbonylContact C-O 3.47Å; S2433-L2536 WeakPolarHBondContact CA-O 3.5Å; I2434-L2536 HydrophobicContact CD1-CB 3.6Å; I2434-L2536 HydrophobicContact CD1-CD1 3.88Å; I2434-L2536 HydrophobicContact CD1-CG 4.37Å; I2434-L2536 HydrophobicContact CG1-CB 4Å; I2434-L2536 PolarHBondContact N-O 3.32Å; L2519-L2536 HydrophobicContact CD1-CD2 4.27Å; F2531-L2536 HydrophobicContact CB-CD1 3.88Å; F2531-L2536 HydrophobicContact CB-CD2 4.32Å; F2531-L2536 HydrophobicContact CB-CG 4.09Å; F2531-L2536 HydrophobicContact CD1-CD2 3.66Å; F2531-L2536 HydrophobicContact CD1-CG 4.27Å; F2531-L2536 HydrophobicContact CE1-CD2 4.1Å; F2531-L2536 HydrophobicContact CG-CD1 4.32Å; F2531-L2536 HydrophobicContact CG-CD2 4.04Å; F2531-L2536 HydrophobicContact CG-CG 4.36Å; Y2532-L2536 PolarHBondContact O-N 3.28Å; L2536-V2545 HydrophobicContact CD2-CG1 4.19Å
2537M82.5Confident81.7Confident13 Ų1313.9 Ų13.96%0.0647%0.073CC..EExtended strand (participates in β ladder)trans-102.5124-178.2-61.8-59.7-69.500110.5Y2349 V2545 S2546Y2349-M2537 HydrophobicContact CD2-CE 3.83Å; Y2349-M2537 HydrophobicContact CD2-SD 3.88Å; Y2349-M2537 HydrophobicContact CE2-CE 3.59Å; Y2349-M2537 HydrophobicContact CE2-CG 3.56Å; Y2349-M2537 HydrophobicContact CE2-SD 3.28Å; Y2349-M2537 WeakPolarHBondContact CE2-SD 3.36Å; M2537-V2545 CarbonylContact O-C 3.57Å; M2537-V2545 WeakPolarHBondContact O-CA 3.44Å; M2537-S2546 PolarHBondContact N-O 3.02Å; M2537-S2546 PolarHBondContact O-N 2.99Å
2538I86.6Confident81.1Confident3 Ų313.4 Ų13.42%0.0157%0.071CC..EExtended strand (participates in β ladder)trans-106.5127.4174.4-55.5-170.5000109.4T2431 K2432 I2434 F2491 F2508 M2540 F2544 V2545T2431-I2538 VanDerWaalsContact CA-O 3.32Å; T2431-I2538 WeakPolarHBondContact CA-O 3.43Å; K2432-I2538 PolarHBondContact N-O 3.42Å; K2432-I2538 PolarHBondContact O-N 3.21Å; I2434-I2538 HydrophobicContact CD1-CD1 3.68Å; I2434-I2538 HydrophobicContact CD1-CG1 4.02Å; I2434-I2538 HydrophobicContact CG1-CD1 3.49Å; I2434-I2538 VanDerWaalsContact CG1-CD1 3.49Å; I2434-I2538 HydrophobicContact CG1-CG1 3.66Å; F2491-I2538 HydrophobicContact CZ-CD1 4.48Å; F2508-I2538 HydrophobicContact CE2-CG2 4.01Å; F2508-I2538 HydrophobicContact CZ-CG2 3.74Å; I2538-M2540 HydrophobicContact CG2-SD 4.43Å; I2538-M2540 PolarHBondContact O-N 2.77Å; I2538-F2544 WeakPolarHBondContact CA-O 3.46Å; I2538-V2545 HydrophobicContact CD1-CG2 4.31Å; I2538-V2545 HydrophobicContact CG1-CG1 4.46Å; I2538-V2545 HydrophobicContact CG1-CG2 4.08Å
2539S85Confident80.6Confident10 Ų1015.4 Ų15.47%0.078%0.08CC..EExtended strand (participates in β ladder)trans-79.2110.1168.7171.70000109.7N2428 S2541 S2542 G2543 F2544N2428-S2539 PolarHBondContact ND2-OG 3.06Å; S2539-S2541 PolarHBondContact O-N 3.45Å; S2539-S2541 PolarHBondContact OG-OG 3.2Å; S2539-S2542 WeakPolarHBondContact CB-OG 3.36Å; S2539-S2542 PolarHBondContact O-N 3.4Å; S2539-S2542 VanDerWaalsContact O-N 3.15Å; S2539-S2542 PolarHBondContact OG-OG 3.04Å; S2539-G2543 PolarHBondContact O-N 3.45Å; S2539-F2544 PolarHBondContact N-O 3.26Å
2540M83.5Confident80.5Confident0 Ų014.5 Ų14.50%07%0.073CC..THydrogen-bonded Turntrans-64.8-24.1-177.2-60.9-53.4-6300113.2E46 Q2430 L2437 M2495 F2499 F2508 I2538E46-M2540 HydrophobicContact CB-CB 4.43Å; E46-M2540 VanDerWaalsContact CD-CB 3.5Å; E46-M2540 HydrophobicContact CG-CB 4.39Å; E46-M2540 WeakPolarHBondContact OE2-CB 3.27Å; Q2430-M2540 HydrophobicContact CB-CB 4.32Å; Q2430-M2540 WeakPolarHBondContact O-CB 3.37Å; Q2430-M2540 VanDerWaalsContact O-CG 3.31Å; Q2430-M2540 WeakPolarHBondContact O-CG 3.45Å; Q2430-M2540 PolarHBondContact O-N 3.11Å; Q2430-M2540 VanDerWaalsContact O-N 3.12Å; L2437-M2540 HydrophobicContact CD1-SD 4.16Å; L2437-M2540 HydrophobicContact CD2-SD 4.35Å; M2495-M2540 HydrophobicContact CE-CE 4.49Å; M2495-M2540 HydrophobicContact SD-CE 4Å; F2499-M2540 HydrophobicContact CE2-CE 3.75Å; F2499-M2540 HydrophobicContact CZ-CE 3.88Å; F2499-M2540 VanDerWaalsContact CZ-O 3.29Å; F2499-M2540 WeakPolarHBondContact CZ-O 3.33Å; F2508-M2540 HydrophobicContact CE2-CE 4.5Å; F2508-M2540 HydrophobicContact CZ-CE 4.23Å; F2508-M2540 HydrophobicContact CZ-SD 4.35Å; I2538-M2540 HydrophobicContact CG2-SD 4.43Å; I2538-M2540 PolarHBondContact O-N 2.77Å
2541S76.5Confident80.8Confident3 Ų315 Ų152%0.0217%0.074CC..THydrogen-bonded Turntrans-77.8-27.3174.851.60000114.4M43 V44 N2428 S2539M43-S2541 CarbonylContact C-O 3.39Å; M43-S2541 WeakPolarHBondContact CA-O 3.45Å; M43-S2541 WeakPolarHBondContact CE-OG 3.22Å; V44-S2541 PolarHBondContact N-O 3.35Å; N2428-S2541 PolarHBondContact ND2-OG 3.16Å; S2539-S2541 PolarHBondContact O-N 3.45Å; S2539-S2541 PolarHBondContact OG-OG 3.2Å
2542S80.2Confident81.1Confident8 Ų814.7 Ų14.76%0.0567%0.073CC..THydrogen-bonded Turntrans-122-16.5-169.358.10000114S2539 F2544S2539-S2542 WeakPolarHBondContact CB-OG 3.36Å; S2539-S2542 PolarHBondContact O-N 3.4Å; S2539-S2542 VanDerWaalsContact O-N 3.15Å; S2539-S2542 PolarHBondContact OG-OG 3.04Å; S2542-F2544 PolarHBondContact O-N 3.44Å; S2542-F2544 WeakPolarHBondContact OG-CD2 3.27Å; S2542-F2544 PolarHBondContact OG-N 3.39Å
2543G81.8Confident81.2Confident0 Ų013.9 Ų13.90%07%0.072CC..  trans73.79.2-170.600000113.8F2508 V2512 S2539F2508-G2543 VanDerWaalsContact CD2-CA 3.47Å; F2508-G2543 VanDerWaalsContact CE2-CA 3.47Å; V2512-G2543 VanDerWaalsContact CG2-O 3.25Å; V2512-G2543 WeakPolarHBondContact CG2-O 3.08Å; S2539-G2543 PolarHBondContact O-N 3.45Å
2544F85.2Confident81.3Confident22 Ų2215.1 Ų15.110%0.0968%0.078CC..  trans-71.5132.2178.6-75.8-48.1000111.6P41 E2411 Q2511 D2515 I2538 S2539 S2542P41-F2544 VanDerWaalsContact CD-CE2 3.46Å; P41-F2544 HydrophobicContact CG-CD1 4.44Å; P41-F2544 HydrophobicContact CG-CD2 4.3Å; P41-F2544 HydrophobicContact CG-CE1 3.88Å; P41-F2544 HydrophobicContact CG-CE2 3.69Å; P41-F2544 HydrophobicContact CG-CZ 3.48Å; P41-F2544 VanDerWaalsContact CG-CZ 3.48Å; E2411-F2544 HydrophobicContact CG-CB 4Å; E2411-F2544 HydrophobicContact CG-CD1 3.57Å; E2411-F2544 HydrophobicContact CG-CD2 4.18Å; E2411-F2544 HydrophobicContact CG-CE1 3.94Å; E2411-F2544 HydrophobicContact CG-CG 3.7Å; E2411-F2544 HydrophobicContact CG-CZ 4.37Å; Q2511-F2544 HydrophobicContact CG-CD1 3.88Å; Q2511-F2544 HydrophobicContact CG-CE1 4.18Å; Q2511-F2544 VanDerWaalsContact NE2-CE1 3.3Å; D2515-F2544 WeakPolarHBondContact OD2-CA 3.46Å; D2515-F2544 WeakPolarHBondContact OD2-CD1 3.43Å; I2538-F2544 WeakPolarHBondContact CA-O 3.46Å; S2539-F2544 PolarHBondContact N-O 3.26Å; S2542-F2544 PolarHBondContact O-N 3.44Å; S2542-F2544 WeakPolarHBondContact OG-CD2 3.27Å; S2542-F2544 PolarHBondContact OG-N 3.39Å
2545V87.4Confident81.4Confident1 Ų116.3 Ų16.31%0.0069%0.085CC..EExtended strand (participates in β ladder)trans-108.7122.8177.8-173.10000108.9V2512 D2515 V2516 L2519 L2536 M2537 I2538V2512-V2545 HydrophobicContact CB-CG2 4.39Å; V2512-V2545 HydrophobicContact CG1-CG2 3.99Å; V2512-V2545 HydrophobicContact CG2-CG2 4.27Å; D2515-V2545 HydrophobicContact CB-CB 3.85Å; D2515-V2545 HydrophobicContact CB-CG2 4.08Å; D2515-V2545 PolarHBondContact OD2-N 3.23Å; V2516-V2545 HydrophobicContact CG2-CG2 4.15Å; L2519-V2545 HydrophobicContact CD1-CB 4.18Å; L2519-V2545 HydrophobicContact CD1-CG1 3.7Å; L2536-V2545 HydrophobicContact CD2-CG1 4.19Å; M2537-V2545 CarbonylContact O-C 3.57Å; M2537-V2545 WeakPolarHBondContact O-CA 3.44Å; I2538-V2545 HydrophobicContact CD1-CG2 4.31Å; I2538-V2545 HydrophobicContact CG1-CG1 4.46Å; I2538-V2545 HydrophobicContact CG1-CG2 4.08Å
2546S83.6Confident81.2Confident22 Ų2224.6 Ų24.615%0.15412%0.124CC..EExtended strand (participates in β ladder)trans-134.1156.9-176.463.70000112M2537M2537-S2546 PolarHBondContact N-O 3.02Å; M2537-S2546 PolarHBondContact O-N 2.99Å
2547T81.3Confident80.8Confident9 Ų926.4 Ų26.46%0.05514%0.14CC..  trans-149.1146.6176-175.30000111.2P2413 L2519 F2531 H2535 Q2550P2413-T2547 WeakPolarHBondContact CD-O 3.32Å; L2519-T2547 HydrophobicContact CD2-CG2 4.11Å; F2531-T2547 HydrophobicContact CD1-CG2 4.44Å; F2531-T2547 HydrophobicContact CE1-CG2 3.86Å; H2535-T2547 WeakPolarHBondContact O-CB 3.42Å; H2535-T2547 PolarHBondContact O-OG1 3.16Å; T2547-Q2550 HydrophobicContact CG2-CG 3.81Å
2548F75.2Confident80.5Confident10 Ų1025.8 Ų25.84%0.04414%0.137CC..SBendtrans-116.3-13.5176-174.9-116.7000113.5K2383 P2413 A2415 I2425 Q2550K2383-F2548 HydrophobicContact CB-CE1 4.24Å; K2383-F2548 HydrophobicContact CB-CE2 3.87Å; K2383-F2548 HydrophobicContact CB-CZ 3.71Å; K2383-F2548 HydrophobicContact CD-CD1 4.12Å; K2383-F2548 HydrophobicContact CD-CE1 3.8Å; K2383-F2548 HydrophobicContact CD-CZ 4.16Å; K2383-F2548 WeakPolarHBondContact CD-O 3.38Å; K2383-F2548 WeakPolarHBondContact CG-O 3.39Å; P2413-F2548 HydrophobicContact CG-CB 3.73Å; P2413-F2548 HydrophobicContact CG-CD2 4.32Å; P2413-F2548 HydrophobicContact CG-CG 4.41Å; A2415-F2548 HydrophobicContact CB-CD2 3.71Å; A2415-F2548 HydrophobicContact CB-CE1 4.09Å; A2415-F2548 HydrophobicContact CB-CE2 3.11Å; A2415-F2548 HydrophobicContact CB-CG 4.42Å; A2415-F2548 HydrophobicContact CB-CZ 3.33Å; I2425-F2548 HydrophobicContact CD1-CB 4.2Å; I2425-F2548 HydrophobicContact CD1-CD1 3.4Å; I2425-F2548 HydrophobicContact CD1-CE1 3.91Å; I2425-F2548 HydrophobicContact CD1-CG 3.84Å; F2548-Q2550 VanDerWaalsContact C-N 3.29Å; F2548-Q2550 PolarHBondContact O-N 3.41Å
2549H75.5Confident80.2Confident42 Ų4227.9 Ų27.919%0.19415%0.147CC..  trans-90.613.5-167.8-71-105.7000114Y2349 K2383 H2535Y2349-H2549 AromaticContact CE1-NE2 3.42Å; Y2349-H2549 WeakPolarHBondContact CE1-NE2 3.16Å; K2383-H2549 PolarHBondContact NZ-ND1 3.44Å; H2535-H2549 HydrophobicContact CB-CB 4.13Å; H2535-H2549 AromaticContact CD2-CD2 3.64Å; H2535-H2549 AromaticContact CD2-CG 3.47Å; H2535-H2549 VanDerWaalsContact CD2-CG 3.47Å; H2535-H2549 AromaticContact CD2-ND1 3.74Å; H2535-H2549 AromaticContact CG-CG 3.84Å; H2535-H2549 AromaticContact NE2-CE1 3.97Å; H2535-H2549 AromaticContact NE2-CG 3.72Å; H2535-H2549 AromaticContact NE2-ND1 3.54Å
2550Q78.2Confident79.9Confident8 Ų827.4 Ų27.44%0.03714%0.144CC..  trans-80.7139.5-178-65.8-165.9-55.200112.6L2386 F2531 T2547 F2548L2386-Q2550 HydrophobicContact CD2-CB 3.45Å; L2386-Q2550 VanDerWaalsContact CD2-CB 3.45Å; L2386-Q2550 WeakPolarHBondContact CD2-O 3.3Å; F2531-Q2550 HydrophobicContact CE1-CG 4.23Å; T2547-Q2550 HydrophobicContact CG2-CG 3.81Å; F2548-Q2550 VanDerWaalsContact C-N 3.29Å; F2548-Q2550 PolarHBondContact O-N 3.41Å
2551L82.9Confident79.2Confident31 Ų3131.9 Ų31.916%0.16217%0.168CC..  trans-135.5155.4176.3-67.3171.1000109.7K2383 L2528 S2529 D2553K2383-L2551 HydrophobicContact CG-CD2 3.87Å; L2528-L2551 CarbonylContact C-O 3.3Å; L2528-L2551 WeakPolarHBondContact CA-O 3.43Å; S2529-L2551 PolarHBondContact N-O 3.32Å; S2529-L2551 PolarHBondContact OG-N 3.36Å; S2529-L2551 VanDerWaalsContact OG-N 3.07Å; L2551-D2553 PolarHBondContact O-N 3.07Å
2552F83.9Confident78.6Confident3 Ų335.7 Ų35.71%0.01319%0.185CC..BIsolated β-bridgetrans-66.3126.7165.2-68.5-79.5000109.7L2386 L2526 L2528 F2554 M2560 L2610 E2613 K2617L2386-F2552 HydrophobicContact CD1-CD2 4.4Å; L2386-F2552 HydrophobicContact CD1-CE1 4.32Å; L2386-F2552 HydrophobicContact CD1-CE2 3.69Å; L2386-F2552 HydrophobicContact CD1-CZ 3.64Å; L2526-F2552 HydrophobicContact CB-CE1 4.17Å; L2526-F2552 HydrophobicContact CD2-CE1 4.13Å; L2528-F2552 HydrophobicContact CD2-CD1 4.19Å; L2528-F2552 HydrophobicContact CD2-CE1 4.32Å; F2552-F2554 HydrophobicContact CB-CD2 4.36Å; F2552-F2554 HydrophobicContact CB-CE1 4.36Å; F2552-F2554 HydrophobicContact CB-CE2 3.61Å; F2552-F2554 HydrophobicContact CB-CZ 3.61Å; F2552-F2554 HydrophobicContact CG-CZ 4.29Å; F2552-M2560 HydrophobicContact CD1-SD 4.18Å; F2552-L2610 HydrophobicContact CD1-CD2 4.23Å; F2552-L2610 HydrophobicContact CE1-CD2 4.29Å; F2552-E2613 HydrophobicContact CD2-CG 3.79Å; F2552-E2613 HydrophobicContact CE2-CG 4.22Å; F2552-K2617 PolarHBondContact O-NZ 3.05Å
2553D81.6Confident78Confident40 Ų4043.7 Ų43.721%0.21423%0.227CC..  trans-93.7113.2179.8-166.52.2000109.7F2527 L2551 R2564F2527-D2553 HydrophobicContact CD1-CB 4.13Å; F2527-D2553 WeakPolarHBondContact CD1-O 3.18Å; F2527-D2553 HydrophobicContact CE1-CB 4.44Å; F2527-D2553 WeakPolarHBondContact O-CB 3.23Å; F2527-D2553 PolarHBondContact O-N 3Å; F2527-D2553 VanDerWaalsContact O-N 3.16Å; L2551-D2553 PolarHBondContact O-N 3.07Å; D2553-R2564 IonicContact OD2-CZ 2.69Å; D2553-R2564 IonicContact OD2-NE 3.86Å; D2553-R2564 IonicContact OD2-NH2 3.14Å; D2553-R2564 PolarHBondContact OD2-NH2 2.98Å
2554F80.7Confident77.6Confident31 Ų3146.2 Ų46.214%0.13624%0.237CC..  trans-113.4138.1179.6-60.6-67.2000108.9F2552 M2560 L2610 E2613 H2614 K2617F2552-F2554 HydrophobicContact CB-CD2 4.36Å; F2552-F2554 HydrophobicContact CB-CE1 4.36Å; F2552-F2554 HydrophobicContact CB-CE2 3.61Å; F2552-F2554 HydrophobicContact CB-CZ 3.61Å; F2552-F2554 HydrophobicContact CG-CZ 4.29Å; F2554-M2560 HydrophobicContact CD1-CG 3.74Å; F2554-M2560 HydrophobicContact CD1-SD 4.48Å; F2554-M2560 HydrophobicContact CE1-CG 3.73Å; F2554-M2560 HydrophobicContact CE1-SD 3.98Å; F2554-L2610 HydrophobicContact CE1-CD2 4.13Å; F2554-L2610 HydrophobicContact CZ-CD2 4.01Å; F2554-E2613 HydrophobicContact CE2-CB 4.2Å; F2554-E2613 HydrophobicContact CZ-CB 4.24Å; F2554-H2614 AromaticContact CD1-NE2 3.86Å; F2554-H2614 AromaticContact CE1-NE2 3.41Å; F2554-H2614 WeakPolarHBondContact CE1-NE2 3.2Å; F2554-H2614 AromaticContact CZ-NE2 3.83Å; F2554-K2617 HydrophobicContact CD2-CD 3.95Å; F2554-K2617 HydrophobicContact CE2-CD 4.19Å
2555N77.7Confident77.1Confident40 Ų4047.6 Ų47.621%0.21425%0.248CC..  trans-68.2173.2166.867.714.5000111.1A2557 G2558 E2559 Q2562N2555-A2557 PolarHBondContact O-N 3.39Å; N2555-A2557 WeakPolarHBondContact OD1-CA 3.36Å; N2555-A2557 PolarHBondContact OD1-N 2.88Å; N2555-A2557 VanDerWaalsContact OD1-N 3.09Å; N2555-G2558 PolarHBondContact O-N 2.79Å; N2555-G2558 PolarHBondContact OD1-N 2.78Å; N2555-E2559 PolarHBondContact N-O 3.42Å; N2555-E2559 VanDerWaalsContact N-O 3.12Å; N2555-E2559 PolarHBondContact ND2-O 3.45Å; N2555-E2559 PolarHBondContact OD1-N 2.73Å; N2555-E2559 PolarHBondContact OD1-O 2.93Å; N2555-Q2562 HydrophobicContact CB-CG 4.08Å
2556Q72.6Confident76.9Confident206 Ų20648 Ų4896%0.96325%0.25SC*.THydrogen-bonded Turntrans-57-22.1178.5-67179.2-2.100113.4
2557A74.7Confident76.9Confident52 Ų5248.1 Ų48.143%0.4325%0.25SS..THydrogen-bonded Turntrans-90.9-2.217600000114.2N2555N2555-A2557 PolarHBondContact O-N 3.39Å; N2555-A2557 WeakPolarHBondContact OD1-CA 3.36Å; N2555-A2557 PolarHBondContact OD1-N 2.88Å; N2555-A2557 VanDerWaalsContact OD1-N 3.09Å
2558G75.9Confident77.1Confident0 Ų047.7 Ų47.70%025%0.247CC..SBendtrans79.69.6-177.700000115.8N2555 H2614 N2633N2555-G2558 PolarHBondContact O-N 2.79Å; N2555-G2558 PolarHBondContact OD1-N 2.78Å; G2558-H2614 PolarHBondContact O-CE1 3.4Å; G2558-H2614 PolarHBondContact O-NE2 3.26Å; G2558-N2633 PolarHBondContact O-ND2 3.47Å
2559E80.9Confident77.6Confident47 Ų4747.7 Ų47.722%0.2225%0.247CC..  trans-90.6144.5174.7-59-173.7156.900111.7N2555 N2561 L2629 K2632 N2633N2555-E2559 PolarHBondContact N-O 3.42Å; N2555-E2559 VanDerWaalsContact N-O 3.12Å; N2555-E2559 PolarHBondContact ND2-O 3.45Å; N2555-E2559 PolarHBondContact OD1-N 2.73Å; N2555-E2559 PolarHBondContact OD1-O 2.93Å; E2559-N2561 VanDerWaalsContact C-N 3.3Å; E2559-N2561 PolarHBondContact O-N 3.38Å; E2559-L2629 HydrophobicContact CG-CD1 3.62Å; E2559-K2632 IonicContact OE1-NZ 3.86Å; E2559-K2632 PolarHBondContact OE1-NZ 2.95Å; E2559-N2633 WeakPolarHBondContact CA-OD1 3.45Å
2560M79.5Confident78.1Confident0 Ų045.9 Ų45.90%024%0.239CC..SBendtrans-90.147178.3-62.4-155.8-5600113.2F2527 F2552 F2554 L2610 N2633 I2637 R2640F2527-M2560 HydrophobicContact CB-CB 4.14Å; F2527-M2560 HydrophobicContact CB-SD 4.09Å; F2527-M2560 HydrophobicContact CD1-CB 4.18Å; F2527-M2560 HydrophobicContact CG-CB 4.33Å; F2552-M2560 HydrophobicContact CD1-SD 4.18Å; F2554-M2560 HydrophobicContact CD1-CG 3.74Å; F2554-M2560 HydrophobicContact CD1-SD 4.48Å; F2554-M2560 HydrophobicContact CE1-CG 3.73Å; F2554-M2560 HydrophobicContact CE1-SD 3.98Å; M2560-L2610 HydrophobicContact SD-CD2 4.35Å; M2560-N2633 HydrophobicContact CE-CB 4.3Å; M2560-N2633 HydrophobicContact CG-CB 4.5Å; M2560-N2633 PolarHBondContact N-OD1 3.07Å; M2560-I2637 HydrophobicContact CE-CD1 3.35Å; M2560-I2637 HydrophobicContact CE-CG1 3.45Å; M2560-I2637 VanDerWaalsContact CE-CG1 3.45Å; M2560-R2640 PolarHBondContact O-NH2 3.44Å
2561N67.2Low78.4Confident95 Ų9545.6 Ų45.651%0.50824%0.238SC..  trans-131.792.5-179.2-77-25.4000110.4E2559 R2640E2559-N2561 VanDerWaalsContact C-N 3.3Å; E2559-N2561 PolarHBondContact O-N 3.38Å; N2561-R2640 PolarHBondContact OD1-NH2 2.86Å; N2561-R2640 VanDerWaalsContact OD1-NH2 3.14Å
2562Q64.2Low78.4Confident82 Ų8245.2 Ų45.238%0.38324%0.237SC..  trans-123.9142.9169.3-61.1-17913.400110.3F2527 N2555 R2564F2527-Q2562 HydrophobicContact CE1-CB 4.07Å; F2527-Q2562 HydrophobicContact CE1-CG 4.32Å; F2527-Q2562 HydrophobicContact CZ-CB 3.87Å; F2527-Q2562 WeakPolarHBondContact CZ-O 3.17Å; N2555-Q2562 HydrophobicContact CB-CG 4.08Å; Q2562-R2564 VanDerWaalsContact C-N 3.33Å; Q2562-R2564 PolarHBondContact O-N 3.44Å
2563N68.3Low78.5Confident176 Ų17645.1 Ų45.194%0.94124%0.237SC*.  trans-80.477.9-179.4-130.85.6000109.6
2564R72.6Confident78.7Confident54 Ų5444 Ų4420%0.20423%0.23CC..  trans-70140176-84.7-170.5-178.1163.66.4110.9L2528 P2530 D2553 Q2562 I2566L2528-R2564 VanDerWaalsContact O-CZ 3.31Å; L2528-R2564 PolarHBondContact O-NH1 3.27Å; L2528-R2564 PolarHBondContact O-NH2 2.91Å; P2530-R2564 VanDerWaalsContact CD-NH2 3.28Å; D2553-R2564 IonicContact OD2-CZ 2.69Å; D2553-R2564 IonicContact OD2-NE 3.86Å; D2553-R2564 IonicContact OD2-NH2 3.14Å; D2553-R2564 PolarHBondContact OD2-NH2 2.98Å; Q2562-R2564 VanDerWaalsContact C-N 3.33Å; Q2562-R2564 PolarHBondContact O-N 3.44Å; R2564-I2566 VanDerWaalsContact C-N 3.25Å; R2564-I2566 WeakPolarHBondContact CB-O 3.37Å; R2564-I2566 PolarHBondContact O-N 3.34Å
2565P74.3Confident79Confident50 Ų5043.5 Ų43.533%0.32523%0.231SC..SBendtrans-64.8-30.5178.524.8-32.3000112.6N2666 R2669P2565-N2666 WeakPolarHBondContact O-CB 3.38Å; P2565-R2669 HydrophobicContact CB-CB 3.93Å; P2565-R2669 HydrophobicContact CG-CB 4.44Å
2566I83.4Confident79.3Confident10 Ų1045 Ų455%0.05124%0.237CC..  trans-125.6142.1173.850.3148.9000111R2564 N2666 L2667 M2670R2564-I2566 VanDerWaalsContact C-N 3.25Å; R2564-I2566 WeakPolarHBondContact CB-O 3.37Å; R2564-I2566 PolarHBondContact O-N 3.34Å; I2566-N2666 HydrophobicContact CG2-CB 3.88Å; I2566-L2667 HydrophobicContact CG2-CD2 4.34Å; I2566-M2670 HydrophobicContact CD1-CE 3.52Å; I2566-M2670 HydrophobicContact CD1-CG 4.4Å; I2566-M2670 HydrophobicContact CD1-SD 3.34Å; I2566-M2670 WeakPolarHBondContact CD1-SD 3.38Å; I2566-M2670 HydrophobicContact CG1-CE 4.28Å; I2566-M2670 HydrophobicContact CG1-CG 4.23Å; I2566-M2670 HydrophobicContact CG1-SD 3.75Å; I2566-M2670 HydrophobicContact CG2-SD 4.34Å
2567P83.1Confident79.9Confident24 Ų2435.3 Ų35.316%0.15619%0.191CC..SBendtrans-71.9-38.9178.827.4-33.2000112.6Y2524 L2657 A2661Y2524-P2567 HydrophobicContact CD2-CB 3.85Å; Y2524-P2567 HydrophobicContact CE2-CB 4.21Å; P2567-L2657 HydrophobicContact CB-CD2 4.05Å; P2567-L2657 HydrophobicContact CG-CB 4.4Å; P2567-L2657 HydrophobicContact CG-CD2 4.17Å; P2567-A2661 HydrophobicContact CG-CB 4.25Å
2568F87.6Confident80.5Confident0 Ų032.8 Ų32.80%017%0.171CC..SBendtrans-156.2167176.347.2-101.2000109.2N2520 Q2523 L2570 M2590 L2657 I2658 A2661N2520-F2568 HydrophobicContact CB-CB 4.07Å; N2520-F2568 HydrophobicContact CB-CD1 4.2Å; N2520-F2568 HydrophobicContact CB-CD2 3.73Å; N2520-F2568 HydrophobicContact CB-CE2 4.22Å; N2520-F2568 HydrophobicContact CB-CG 3.73Å; Q2523-F2568 HydrophobicContact CB-CB 4.5Å; Q2523-F2568 VanDerWaalsContact OE1-CA 3.32Å; F2568-L2570 HydrophobicContact CD2-CB 4.46Å; F2568-L2570 HydrophobicContact CE2-CB 4.44Å; F2568-L2570 PolarHBondContact O-N 3.5Å; F2568-M2590 HydrophobicContact CE1-CE 3.86Å; F2568-M2590 HydrophobicContact CZ-CE 4.06Å; F2568-L2657 HydrophobicContact CE1-CB 3.95Å; F2568-L2657 HydrophobicContact CZ-CB 4.15Å; F2568-I2658 HydrophobicContact CE2-CG1 4.27Å; F2568-I2658 HydrophobicContact CZ-CG1 3.92Å; F2568-A2661 HydrophobicContact CD2-CB 4.15Å; F2568-A2661 HydrophobicContact CE2-CB 3.91Å
2569R84.4Confident80.8Confident11 Ų1134.1 Ų34.14%0.04218%0.182CC..  trans-83113.5-174.4-171.9179.4-176111.611.9111.3F2531 L2533 T2571 W2674 F2675 L2678F2531-R2569 WeakPolarHBondContact O-CD 3.15Å; F2531-R2569 PolarHBondContact O-NH1 3.36Å; L2533-R2569 VanDerWaalsContact CD1-NH2 3.34Å; R2569-T2571 HydrophobicContact CG-CG2 4.16Å; R2569-W2674 PolarHBondContact NH1-O 2.88Å; R2569-W2674 PolarHBondContact NH2-O 3.03Å; R2569-F2675 PolarHBondContact NH2-O 3.16Å; R2569-L2678 PolarHBondContact NH2-O 3.28Å
2570L85.9Confident80.8Confident4 Ų432 Ų322%0.02117%0.172CC..  trans-143.278.6171-165.772.7000110F2568 I2574 L2578 I2582 I2658 A2661 Q2662F2568-L2570 HydrophobicContact CD2-CB 4.46Å; F2568-L2570 HydrophobicContact CE2-CB 4.44Å; F2568-L2570 PolarHBondContact O-N 3.5Å; L2570-I2574 HydrophobicContact CD1-CG2 4.33Å; L2570-L2578 HydrophobicContact CD1-CD1 3.93Å; L2570-I2582 HydrophobicContact CD2-CD1 4.37Å; L2570-I2658 HydrophobicContact CD2-CG2 3.8Å; L2570-A2661 HydrophobicContact CB-CB 4.05Å; L2570-Q2662 HydrophobicContact CD2-CG 3.94Å; L2570-Q2662 HydrophobicContact CG-CG 4.39Å
2571T85.6Confident80.9Confident1 Ų132 Ų321%0.00617%0.172CC..  trans-76.2162.3-175.245.50000112.3R2569 C2573 I2574 S2575 L2667 P2676 L2678R2569-T2571 HydrophobicContact CG-CG2 4.16Å; T2571-C2573 PolarHBondContact O-N 3.42Å; T2571-I2574 PolarHBondContact O-N 3.48Å; T2571-I2574 WeakPolarHBondContact OG1-CD1 3.38Å; T2571-I2574 WeakPolarHBondContact OG1-CG1 3.07Å; T2571-S2575 WeakPolarHBondContact O-CB 3.45Å; T2571-S2575 PolarHBondContact O-N 3.16Å; T2571-L2667 HydrophobicContact CG2-CD2 4.37Å; T2571-P2676 VanDerWaalsContact CG2-O 3.26Å; T2571-P2676 WeakPolarHBondContact CG2-O 3.42Å; T2571-L2678 VanDerWaalsContact CB-C 3.44Å; T2571-L2678 WeakPolarHBondContact CB-O 3.32Å; T2571-L2678 VanDerWaalsContact CG2-O 3.25Å; T2571-L2678 WeakPolarHBondContact CG2-O 3.42Å; T2571-L2678 PolarHBondContact OG1-O 2.84Å; T2571-L2678 PolarHBondContact OG1-OXT 3.23Å
2572P82.8Confident81.8Confident24 Ų2428.1 Ų28.116%0.15615%0.151CC..Hα-helixtrans-58.8-39.8-174.6-27.136.4000114.8Y2478 S2575 E2576 L2667Y2478-P2572 WeakPolarHBondContact OH-CG 3.38Å; P2572-S2575 WeakPolarHBondContact O-CB 3.43Å; P2572-S2575 PolarHBondContact O-N 3.37Å; P2572-E2576 WeakPolarHBondContact O-CB 3.36Å; P2572-E2576 PolarHBondContact O-N 3.49Å; P2572-L2667 HydrophobicContact CG-CD1 4.15Å
2573C85.2Confident82.6Confident1 Ų125.5 Ų25.51%0.00714%0.139CC..Hα-helixtrans-74.4-38.3-178.7-49.50000112F2438 K2488 F2491 T2571 S2575 E2576 F2577 W2677 L2678F2438-C2573 HydrophobicContact CE1-CB 3.84Å; F2438-C2573 HydrophobicContact CZ-CB 3.94Å; K2488-C2573 WeakPolarHBondContact O-CA 3.46Å; F2491-C2573 HydrophobicContact CB-CB 4.45Å; T2571-C2573 PolarHBondContact O-N 3.42Å; C2573-S2575 VanDerWaalsContact C-N 3.34Å; C2573-E2576 PolarHBondContact O-N 3.01Å; C2573-F2577 PolarHBondContact O-N 3Å; C2573-W2677 PolarHBondContact SG-O 3.06Å; C2573-L2678 WeakPolarHBondContact CB-OXT 3.38Å
2574I86.7Confident83.2Confident15 Ų1517.1 Ų17.18%0.0779%0.094CC..Hα-helixtrans-62.2-44.4171-62.2179.1000110.2L2533 L2570 T2571 E2576 F2577 L2578 L2678L2533-I2574 HydrophobicContact CD2-CD1 3.99Å; L2570-I2574 HydrophobicContact CD1-CG2 4.33Å; T2571-I2574 PolarHBondContact O-N 3.48Å; T2571-I2574 WeakPolarHBondContact OG1-CD1 3.38Å; T2571-I2574 WeakPolarHBondContact OG1-CG1 3.07Å; I2574-E2576 VanDerWaalsContact C-N 3.32Å; I2574-E2576 PolarHBondContact O-N 3.28Å; I2574-F2577 PolarHBondContact O-N 3.42Å; I2574-L2578 HydrophobicContact CG2-CD1 3.87Å; I2574-L2578 HydrophobicContact CG2-CG 4.29Å; I2574-L2578 VanDerWaalsContact O-CG 3.32Å; I2574-L2578 WeakPolarHBondContact O-CG 3.49Å; I2574-L2578 PolarHBondContact O-N 3.29Å; I2574-L2678 PolarHBondContact N-OXT 3.06Å
2575S85.4Confident83.9Confident22 Ų2214.6 Ų14.615%0.1549%0.085CC..Hα-helixtrans-57.7-42.8177.5173.70000112.3T2571 P2572 C2573 L2578 A2579 Q2662T2571-S2575 WeakPolarHBondContact O-CB 3.45Å; T2571-S2575 PolarHBondContact O-N 3.16Å; P2572-S2575 WeakPolarHBondContact O-CB 3.43Å; P2572-S2575 PolarHBondContact O-N 3.37Å; C2573-S2575 VanDerWaalsContact C-N 3.34Å; S2575-L2578 PolarHBondContact O-N 3.4Å; S2575-A2579 PolarHBondContact O-N 3.25Å; S2575-Q2662 PolarHBondContact OG-NE2 2.93Å
2576E84.2Confident84.6Confident71 Ų7112.5 Ų12.533%0.3327%0.071SC..Hα-helixtrans-68.9-33.8-179.8-168.759.8-149.400112.8N2489 P2572 C2573 I2574N2489-E2576 WeakPolarHBondContact OD1-CG 3.42Å; P2572-E2576 WeakPolarHBondContact O-CB 3.36Å; P2572-E2576 PolarHBondContact O-N 3.49Å; C2573-E2576 PolarHBondContact O-N 3.01Å; I2574-E2576 VanDerWaalsContact C-N 3.32Å; I2574-E2576 PolarHBondContact O-N 3.28Å
2577F86.5Confident84.7Confident2 Ų212.4 Ų12.41%0.0097%0.071CC..Hα-helixtrans-67.7-45.2172.3167.6-104.7000112.3F2491 K2492 M2495 Y2505 F2508 R2509 V2512 C2573 I2574 A2579F2491-F2577 HydrophobicContact CD1-CB 3.7Å; F2491-F2577 HydrophobicContact CD1-CD1 4.11Å; F2491-F2577 HydrophobicContact CD1-CD2 4.29Å; F2491-F2577 AromaticContact CD1-CG 3.77Å; F2491-F2577 HydrophobicContact CD1-CG 3.77Å; F2491-F2577 HydrophobicContact CE1-CB 4.29Å; F2491-F2577 AromaticContact CE1-CD1 3.81Å; F2491-F2577 HydrophobicContact CE1-CD1 3.81Å; F2491-F2577 HydrophobicContact CE1-CD2 4.4Å; F2491-F2577 HydrophobicContact CE1-CE1 4.22Å; F2491-F2577 AromaticContact CE1-CG 3.9Å; F2491-F2577 HydrophobicContact CE1-CG 3.9Å; K2492-F2577 HydrophobicContact CB-CB 4.34Å; M2495-F2577 HydrophobicContact CB-CD2 4.3Å; M2495-F2577 HydrophobicContact CB-CE2 3.85Å; M2495-F2577 HydrophobicContact CG-CD2 4.21Å; M2495-F2577 HydrophobicContact CG-CE2 3.84Å; M2495-F2577 HydrophobicContact CG-CZ 4.37Å; Y2505-F2577 HydrophobicContact CE2-CD2 4.39Å; Y2505-F2577 AromaticContact CE2-CE2 3.78Å; Y2505-F2577 HydrophobicContact CE2-CE2 3.78Å; Y2505-F2577 AromaticContact CZ-CE2 3.96Å; F2508-F2577 HydrophobicContact CD1-CZ 4.1Å; F2508-F2577 HydrophobicContact CE1-CZ 4.04Å; R2509-F2577 HydrophobicContact CB-CE1 4.48Å; R2509-F2577 HydrophobicContact CB-CE2 4.26Å; R2509-F2577 HydrophobicContact CB-CZ 3.84Å; R2509-F2577 WeakPolarHBondContact CD-O 3.42Å; R2509-F2577 HydrophobicContact CG-CE1 4.03Å; R2509-F2577 HydrophobicContact CG-CE2 4.18Å; R2509-F2577 HydrophobicContact CG-CZ 3.78Å; V2512-F2577 HydrophobicContact CB-CE1 4.23Å; V2512-F2577 HydrophobicContact CG1-CE1 3.94Å; C2573-F2577 PolarHBondContact O-N 3Å; I2574-F2577 PolarHBondContact O-N 3.42Å; F2577-A2579 VanDerWaalsContact C-N 3.35Å
2578L86Confident84.8Confident0 Ų011.2 Ų11.20%06%0.063CC..Hα-helixtrans-70.3-32.6179.5-60.2175.7000111.8V2512 C2513 V2516 L2570 I2574 S2575 I2580 G2581 I2582V2512-L2578 HydrophobicContact CG1-CD2 4.22Å; C2513-L2578 HydrophobicContact CB-CD2 4.27Å; C2513-L2578 WeakPolarHBondContact SG-CD2 3.43Å; V2516-L2578 HydrophobicContact CG1-CD1 4.33Å; L2570-L2578 HydrophobicContact CD1-CD1 3.93Å; I2574-L2578 HydrophobicContact CG2-CD1 3.87Å; I2574-L2578 HydrophobicContact CG2-CG 4.29Å; I2574-L2578 VanDerWaalsContact O-CG 3.32Å; I2574-L2578 WeakPolarHBondContact O-CG 3.49Å; I2574-L2578 PolarHBondContact O-N 3.29Å; S2575-L2578 PolarHBondContact O-N 3.4Å; L2578-I2580 PolarHBondContact O-N 3.29Å; L2578-G2581 VanDerWaalsContact O-CA 3.26Å; L2578-G2581 WeakPolarHBondContact O-CA 3.37Å; L2578-G2581 PolarHBondContact O-N 3.37Å; L2578-I2582 HydrophobicContact CB-CD1 4.12Å; L2578-I2582 HydrophobicContact CB-CG1 3.54Å; L2578-I2582 HydrophobicContact CD1-CG1 4.22Å
2579A82.8Confident84.9Confident28 Ų2811.2 Ų11.223%0.2316%0.063CC..THydrogen-bonded Turntrans46.4-125.3174.900000113S2575 F2577 G2581 I2582S2575-A2579 PolarHBondContact O-N 3.25Å; F2577-A2579 VanDerWaalsContact C-N 3.35Å; A2579-G2581 PolarHBondContact O-N 2.88Å; A2579-I2582 PolarHBondContact O-N 3.41Å
2580I81.8Confident85.1Confident3 Ų310.8 Ų10.82%0.0156%0.062CC..THydrogen-bonded Turntrans-67-17.1178.3-162.9163000113E1706 F1735 L1747 A1750 V1751 L2578 I2582 Q2583 G2584E1706-I2580 HydrophobicContact CG-CG2 4.35Å; F1735-I2580 HydrophobicContact CE1-CD1 4.42Å; L1747-I2580 HydrophobicContact CD1-CG2 3.82Å; A1750-I2580 HydrophobicContact CB-CG1 4.28Å; V1751-I2580 HydrophobicContact CG2-CD1 3.68Å; L2578-I2580 PolarHBondContact O-N 3.29Å; I2580-I2582 PolarHBondContact O-N 2.8Å; I2580-Q2583 PolarHBondContact O-N 3.04Å; I2580-G2584 PolarHBondContact O-N 2.93Å
2581G81.9Confident85.1Confident0 Ų010.6 Ų10.60%06%0.061CC..Hα-helixtrans-65.6-16174.500000114.6L2578 A2579 Y2585 S2586L2578-G2581 VanDerWaalsContact O-CA 3.26Å; L2578-G2581 WeakPolarHBondContact O-CA 3.37Å; L2578-G2581 PolarHBondContact O-N 3.37Å; A2579-G2581 PolarHBondContact O-N 2.88Å; G2581-Y2585 WeakPolarHBondContact O-CA 3.39Å; G2581-Y2585 WeakPolarHBondContact O-CB 3.45Å; G2581-Y2585 PolarHBondContact O-N 2.95Å; G2581-S2586 PolarHBondContact O-N 3.15Å; G2581-S2586 VanDerWaalsContact O-N 3.12Å
2582I84.6Confident85.1Confident13 Ų1310.7 Ų10.77%0.0676%0.061CC..Iπ-helixtrans-64.9-49.9172.3-59.7171.4000110L2570 L2578 A2579 I2580 S2586 L2587 I2658L2570-I2582 HydrophobicContact CD2-CD1 4.37Å; L2578-I2582 HydrophobicContact CB-CD1 4.12Å; L2578-I2582 HydrophobicContact CB-CG1 3.54Å; L2578-I2582 HydrophobicContact CD1-CG1 4.22Å; A2579-I2582 PolarHBondContact O-N 3.41Å; I2580-I2582 PolarHBondContact O-N 2.8Å; I2582-S2586 PolarHBondContact O-N 2.99Å; I2582-L2587 WeakPolarHBondContact O-CB 3.5Å; I2582-L2587 PolarHBondContact O-N 2.95Å; I2582-I2658 HydrophobicContact CG2-CD1 4.06Å; I2582-I2658 HydrophobicContact CG2-CG2 3.85Å
2583Q80.8Confident85.2Confident27 Ų279.6 Ų9.613%0.1266%0.055CC..Iπ-helixtrans-73-35.5176.7-70.2172.6-29.900111.1A1750 I2580 M2655A1750-Q2583 HydrophobicContact CB-CB 3.9Å; I2580-Q2583 PolarHBondContact O-N 3.04Å; Q2583-M2655 HydrophobicContact CG-CE 4.01Å; Q2583-M2655 HydrophobicContact CG-SD 4.24Å
2584G81.9Confident85.3Confident0 Ų09.6 Ų9.60%05%0.054CC..Iπ-helixtrans-78.8-41.3-175.900000115.1D1746 I2580 P2588D1746-G2584 CarbonylContact C-O 3.54Å; D1746-G2584 WeakPolarHBondContact CB-O 3.33Å; D1746-G2584 VanDerWaalsContact O-CA 3.27Å; D1746-G2584 WeakPolarHBondContact O-CA 3.44Å; I2580-G2584 PolarHBondContact O-N 2.93Å; G2584-P2588 WeakPolarHBondContact O-CG 3.27Å
2585Y88.1Confident85Confident1 Ų110.4 Ų10.40%0.0046%0.056CC..Iπ-helixtrans-122-47.1-169.8-58.7-55.4000112.9E1744 D1746 L1747 K2510 C2513 Y2514 G2581 P2588 A2589E1744-Y2585 PolarHBondContact OE2-OH 3.39Å; D1746-Y2585 HydrophobicContact CB-CD1 4.08Å; D1746-Y2585 HydrophobicContact CB-CE1 4.17Å; L1747-Y2585 HydrophobicContact CB-CE1 4.28Å; L1747-Y2585 HydrophobicContact CB-CE2 4.43Å; L1747-Y2585 HydrophobicContact CD1-CD2 4.38Å; L1747-Y2585 HydrophobicContact CD1-CE2 3.85Å; L1747-Y2585 HydrophobicContact CD2-CE2 4.28Å; L1747-Y2585 HydrophobicContact CG-CE2 4.43Å; K2510-Y2585 HydrophobicContact CB-CE2 4.32Å; K2510-Y2585 HydrophobicContact CD-CE1 4.28Å; K2510-Y2585 HydrophobicContact CG-CD1 4.49Å; K2510-Y2585 HydrophobicContact CG-CD2 4.49Å; K2510-Y2585 HydrophobicContact CG-CE1 4.18Å; K2510-Y2585 HydrophobicContact CG-CE2 4.2Å; C2513-Y2585 HydrophobicContact CB-CD2 4.09Å; C2513-Y2585 HydrophobicContact CB-CG 4.3Å; Y2514-Y2585 HydrophobicContact CE1-CD1 4.1Å; Y2514-Y2585 HydrophobicContact CE1-CG 4.48Å; Y2514-Y2585 HydrophobicContact CE2-CD1 4.12Å; Y2514-Y2585 AromaticContact CZ-CD1 3.63Å; Y2514-Y2585 WeakPolarHBondContact OH-CD1 3.37Å; G2581-Y2585 WeakPolarHBondContact O-CA 3.39Å; G2581-Y2585 WeakPolarHBondContact O-CB 3.45Å; G2581-Y2585 PolarHBondContact O-N 2.95Å; Y2585-P2588 WeakPolarHBondContact O-CD 3.46Å; Y2585-A2589 WeakPolarHBondContact O-CB 3.36Å; Y2585-A2589 PolarHBondContact O-N 3.49Å; Y2585-A2589 VanDerWaalsContact O-N 3.12Å
2586S87.9Confident84.8Confident6 Ų69.5 Ų9.54%0.0425%0.05CC..Iπ-helixtrans-67.9-45.9-176.1-56.60000112.6C2513 G2581 I2582 A2589 M2590C2513-S2586 PolarHBondContact O-OG 3.01Å; G2581-S2586 PolarHBondContact O-N 3.15Å; G2581-S2586 VanDerWaalsContact O-N 3.12Å; I2582-S2586 PolarHBondContact O-N 2.99Å; S2586-A2589 WeakPolarHBondContact O-CB 3.32Å; S2586-A2589 PolarHBondContact O-N 3.17Å; S2586-M2590 WeakPolarHBondContact O-CG 3.26Å; S2586-M2590 PolarHBondContact O-N 3.45Å
2587L86.7Confident84.6Confident7 Ų76.2 Ų6.24%0.0373%0.034CC..Hα-helixtrans-60.9-49.1178.3173.474.2000112.1I2582 A2589 M2590 V2591 A2654 M2655 I2658I2582-L2587 WeakPolarHBondContact O-CB 3.5Å; I2582-L2587 PolarHBondContact O-N 2.95Å; L2587-A2589 VanDerWaalsContact C-N 3.29Å; L2587-A2589 PolarHBondContact O-N 3.1Å; L2587-M2590 PolarHBondContact O-N 3.34Å; L2587-V2591 HydrophobicContact CD1-CG2 4.37Å; L2587-V2591 WeakPolarHBondContact O-CG2 3.39Å; L2587-V2591 PolarHBondContact O-N 3.25Å; L2587-V2591 VanDerWaalsContact O-N 3.12Å; L2587-A2654 HydrophobicContact CD1-CB 3.5Å; L2587-M2655 HydrophobicContact CD1-CG 3.89Å; L2587-M2655 HydrophobicContact CD1-SD 4.31Å; L2587-M2655 HydrophobicContact CD2-CG 3.62Å; L2587-M2655 HydrophobicContact CD2-SD 3.76Å; L2587-M2655 HydrophobicContact CG-CG 4.38Å; L2587-M2655 HydrophobicContact CG-SD 4.48Å; L2587-I2658 HydrophobicContact CB-CD1 4.42Å; L2587-I2658 HydrophobicContact CD1-CD1 4.27Å
2588P84.7Confident84.2Confident0 Ų09.8 Ų9.80%05%0.051CC..Hα-helixtrans-58.5-37.2173.7-29.438.2000114.1Q1769 G2584 Y2585 V2591 A2592Q1769-P2588 HydrophobicContact CG-CG 4.29Å; G2584-P2588 WeakPolarHBondContact O-CG 3.27Å; Y2585-P2588 WeakPolarHBondContact O-CD 3.46Å; P2588-V2591 PolarHBondContact O-N 3.34Å; P2588-A2592 WeakPolarHBondContact O-CB 3.46Å; P2588-A2592 PolarHBondContact O-N 2.97Å
2589A88.3Confident83.5Confident0 Ų012.1 Ų12.10%07%0.067CC..Hα-helixtrans-62-44.9176.300000112.2L2408 Y2514 L2518 Y2585 S2586 L2587 G2593L2408-A2589 HydrophobicContact CD1-CB 4.33Å; L2408-A2589 HydrophobicContact CD2-CB 3.88Å; Y2514-A2589 HydrophobicContact CD1-CB 4.06Å; L2518-A2589 HydrophobicContact CG-CB 4.39Å; Y2585-A2589 WeakPolarHBondContact O-CB 3.36Å; Y2585-A2589 PolarHBondContact O-N 3.49Å; Y2585-A2589 VanDerWaalsContact O-N 3.12Å; S2586-A2589 WeakPolarHBondContact O-CB 3.32Å; S2586-A2589 PolarHBondContact O-N 3.17Å; L2587-A2589 VanDerWaalsContact C-N 3.29Å; L2587-A2589 PolarHBondContact O-N 3.1Å; A2589-G2593 PolarHBondContact O-N 3.29Å
2590M89Confident82.8Confident2 Ų212 Ų121%0.016%0.062CC..Hα-helixtrans-61.7-48.2178.5-67.7176.472.400111.6G2517 F2521 F2568 S2586 L2587 A2594 A2654 I2658G2517-M2590 WeakPolarHBondContact O-CG 3.26Å; F2521-M2590 HydrophobicContact CB-CB 4.21Å; F2521-M2590 HydrophobicContact CB-CG 3.97Å; F2568-M2590 HydrophobicContact CE1-CE 3.86Å; F2568-M2590 HydrophobicContact CZ-CE 4.06Å; S2586-M2590 WeakPolarHBondContact O-CG 3.26Å; S2586-M2590 PolarHBondContact O-N 3.45Å; L2587-M2590 PolarHBondContact O-N 3.34Å; M2590-A2594 WeakPolarHBondContact O-CB 3.29Å; M2590-A2594 PolarHBondContact O-N 2.84Å; M2590-A2654 HydrophobicContact CE-CB 4.47Å; M2590-I2658 HydrophobicContact SD-CD1 4.35Å
2591V86Confident82.2Confident0 Ų016.1 Ų16.10%09%0.091CC..Hα-helixtrans-69.4-42.2-177.8178.10000111.1L2587 P2588 A2594 R2595 V2647L2587-V2591 HydrophobicContact CD1-CG2 4.37Å; L2587-V2591 WeakPolarHBondContact O-CG2 3.39Å; L2587-V2591 PolarHBondContact O-N 3.25Å; L2587-V2591 VanDerWaalsContact O-N 3.12Å; P2588-V2591 PolarHBondContact O-N 3.34Å; V2591-A2594 PolarHBondContact O-N 3.01Å; V2591-R2595 WeakPolarHBondContact O-CG 3.47Å; V2591-R2595 PolarHBondContact O-N 3.43Å; V2591-V2647 HydrophobicContact CG1-CG2 3.94Å
2592A85Confident81.8Confident3 Ų316.2 Ų16.23%0.0259%0.092CC..Hα-helixtrans-61.6-47.617600000110.8L2408 P2588 A2594 R2595 V2596L2408-A2592 HydrophobicContact CD1-CB 3.8Å; P2588-A2592 WeakPolarHBondContact O-CB 3.46Å; P2588-A2592 PolarHBondContact O-N 2.97Å; A2592-A2594 PolarHBondContact O-N 3.01Å; A2592-R2595 PolarHBondContact O-N 3.17Å; A2592-V2596 VanDerWaalsContact O-CG2 3.26Å; A2592-V2596 WeakPolarHBondContact O-CG2 3.46Å; A2592-V2596 PolarHBondContact O-N 3.09Å
2593G86Confident81.2Confident1 Ų116.7 Ų16.71%0.0110%0.095CC..Hα-helixtrans-56.9-45.317600000113A2589 L2597A2589-G2593 PolarHBondContact O-N 3.29Å; G2593-L2597 WeakPolarHBondContact O-CG 3.32Å; G2593-L2597 PolarHBondContact O-N 3.04Å; G2593-L2597 VanDerWaalsContact O-N 3.14Å
2594A86.2Confident80.6Confident0 Ų020.9 Ų20.90%012%0.115CC..Hα-helixtrans-61.3-45.8177.800000112.5F2521 M2590 V2591 A2592 L2597 Q2598 L2644 A2645F2521-A2594 HydrophobicContact CD2-CB 4.36Å; F2521-A2594 HydrophobicContact CE2-CB 3.67Å; F2521-A2594 HydrophobicContact CZ-CB 4.33Å; M2590-A2594 WeakPolarHBondContact O-CB 3.29Å; M2590-A2594 PolarHBondContact O-N 2.84Å; V2591-A2594 PolarHBondContact O-N 3.01Å; A2592-A2594 PolarHBondContact O-N 3.01Å; A2594-L2597 PolarHBondContact O-N 3.43Å; A2594-Q2598 WeakPolarHBondContact O-CB 3.44Å; A2594-Q2598 PolarHBondContact O-N 3.48Å; A2594-L2644 HydrophobicContact CB-CB 3.8Å; A2594-A2645 HydrophobicContact CB-CB 4.16Å
2595R80.2Confident80Confident33 Ų3322.6 Ų22.613%0.12512%0.121CC..Hα-helixtrans-65.3-42.6-179.5-74.1-179-176.9-1808.7113H1770 V2591 A2592 L2597 Q2598 S2599 A2645H1770-R2595 PolarHBondContact O-NH1 2.88Å; V2591-R2595 WeakPolarHBondContact O-CG 3.47Å; V2591-R2595 PolarHBondContact O-N 3.43Å; A2592-R2595 PolarHBondContact O-N 3.17Å; R2595-L2597 VanDerWaalsContact C-N 3.35Å; R2595-Q2598 PolarHBondContact O-N 3.42Å; R2595-S2599 WeakPolarHBondContact O-CB 3.18Å; R2595-S2599 PolarHBondContact O-N 3.41Å; R2595-S2599 PolarHBondContact O-OG 3.32Å; R2595-A2645 HydrophobicContact CG-CB 3.88Å; R2595-A2645 PolarHBondContact NE-O 3.28Å
2596V81.4Confident79.5Confident3 Ų322.6 Ų22.62%0.01812%0.121CC..Hα-helixtrans-62.8-44.2178176.60000110.6L2396 L2397 D2400 A2592 Q2598 S2599 H2600L2396-V2596 HydrophobicContact CB-CG1 4.41Å; L2397-V2596 HydrophobicContact CD2-CB 4.06Å; L2397-V2596 HydrophobicContact CD2-CG1 4.07Å; L2397-V2596 HydrophobicContact CD2-CG2 4.24Å; D2400-V2596 HydrophobicContact CB-CG1 4.29Å; D2400-V2596 HydrophobicContact CB-CG2 3.7Å; D2400-V2596 WeakPolarHBondContact OD2-CG2 3.44Å; A2592-V2596 VanDerWaalsContact O-CG2 3.26Å; A2592-V2596 WeakPolarHBondContact O-CG2 3.46Å; A2592-V2596 PolarHBondContact O-N 3.09Å; V2596-Q2598 VanDerWaalsContact C-N 3.34Å; V2596-Q2598 PolarHBondContact O-N 3.21Å; V2596-S2599 PolarHBondContact O-OG 3.29Å; V2596-H2600 PolarHBondContact O-CD2 2.87Å; V2596-H2600 PolarHBondContact O-N 2.69Å
2597L80.5Confident79.1Confident1 Ų125.7 Ų25.71%0.00513%0.132CC..Hα-helixtrans-69.8-31.9179.8-68.8-168000112.8F2393 L2396 F2521 F2525 G2593 A2594 R2595 C2602 L2641F2393-L2597 HydrophobicContact CB-CD2 4.17Å; F2393-L2597 HydrophobicContact CD1-CD1 4.17Å; F2393-L2597 HydrophobicContact CD1-CD2 3.56Å; F2393-L2597 HydrophobicContact CD2-CD1 4.39Å; F2393-L2597 HydrophobicContact CE1-CD1 4.28Å; F2393-L2597 HydrophobicContact CE1-CD2 4.18Å; F2393-L2597 HydrophobicContact CG-CD1 4.24Å; F2393-L2597 HydrophobicContact CG-CD2 3.98Å; F2393-L2597 HydrophobicContact CZ-CD1 4.47Å; L2396-L2597 HydrophobicContact CB-CD2 4.46Å; L2396-L2597 HydrophobicContact CD1-CD2 3.99Å; F2521-L2597 HydrophobicContact CE1-CD1 3.93Å; F2521-L2597 HydrophobicContact CZ-CD1 3.8Å; F2525-L2597 HydrophobicContact CE1-CD1 4.03Å; F2525-L2597 HydrophobicContact CE2-CD1 4.2Å; F2525-L2597 HydrophobicContact CZ-CD1 3.61Å; G2593-L2597 WeakPolarHBondContact O-CG 3.32Å; G2593-L2597 PolarHBondContact O-N 3.04Å; G2593-L2597 VanDerWaalsContact O-N 3.14Å; A2594-L2597 PolarHBondContact O-N 3.43Å; R2595-L2597 VanDerWaalsContact C-N 3.35Å; L2597-C2602 HydrophobicContact CD2-CB 4.39Å; L2597-C2602 PolarHBondContact O-N 3.05Å; L2597-C2602 PolarHBondContact O-SG 3.18Å; L2597-L2641 HydrophobicContact CB-CD2 4.31Å
2598Q79.3Confident78.4Confident78 Ų7828.3 Ų28.336%0.36415%0.146SC..Hα-helixtrans-70.6-45.6174.8-167.4-169.72.600111.9A2594 R2595 V2596 H2600 S2601 H2642A2594-Q2598 WeakPolarHBondContact O-CB 3.44Å; A2594-Q2598 PolarHBondContact O-N 3.48Å; R2595-Q2598 PolarHBondContact O-N 3.42Å; V2596-Q2598 VanDerWaalsContact C-N 3.34Å; V2596-Q2598 PolarHBondContact O-N 3.21Å; Q2598-H2600 PolarHBondContact O-N 2.97Å; Q2598-H2600 VanDerWaalsContact O-N 3.16Å; Q2598-S2601 PolarHBondContact O-N 2.68Å; Q2598-H2642 PolarHBondContact NE2-ND1 3.47Å
2599S71Confident78.1Confident48 Ų4828.3 Ų28.334%0.33615%0.146SC..Hα-helixtrans-62.6-24-177.1750000113.4D2400 R2595 V2596D2400-S2599 PolarHBondContact OD2-OG 3.4Å; R2595-S2599 WeakPolarHBondContact O-CB 3.18Å; R2595-S2599 PolarHBondContact O-N 3.41Å; R2595-S2599 PolarHBondContact O-OG 3.32Å; V2596-S2599 PolarHBondContact O-OG 3.29Å
2600H68.4Low77.6Confident27 Ų2728.3 Ų28.313%0.12515%0.146CC..THydrogen-bonded Turntrans-103.46.4-177.9-77-81.6000114.8L2396 Q2399 D2400 V2596 Q2598 C2602L2396-H2600 HydrophobicContact CD1-CB 4.3Å; L2396-H2600 HydrophobicContact CD2-CB 4.06Å; Q2399-H2600 PolarHBondContact OE1-CE1 3.31Å; D2400-H2600 IonicContact OD1-NE2 2.66Å; D2400-H2600 IonicContact OD2-CD2 3.01Å; D2400-H2600 IonicContact OD2-NE2 2.68Å; V2596-H2600 PolarHBondContact O-CD2 2.87Å; V2596-H2600 PolarHBondContact O-N 2.69Å; Q2598-H2600 PolarHBondContact O-N 2.97Å; Q2598-H2600 VanDerWaalsContact O-N 3.16Å; H2600-C2602 VanDerWaalsContact C-N 3.33Å; H2600-C2602 PolarHBondContact O-N 3.27Å
2601S68.9Low77Confident88 Ų8829.2 Ų29.262%0.61515%0.15SC*.THydrogen-bonded Turntrans5246178.8-56.40000113.5Q2598 V2603Q2598-S2601 PolarHBondContact O-N 2.68Å; S2601-V2603 PolarHBondContact O-N 2.7Å
2602C72.9Confident76.4Confident3 Ų329.6 Ų29.62%0.0215%0.153CC..THydrogen-bonded Turntrans-60.8-13.7-175.566.90000115F2393 L2396 L2597 H2600 E2604 W2605 I2606F2393-C2602 HydrophobicContact CE1-CB 4.22Å; L2396-C2602 HydrophobicContact CD1-CB 4.24Å; L2597-C2602 HydrophobicContact CD2-CB 4.39Å; L2597-C2602 PolarHBondContact O-N 3.05Å; L2597-C2602 PolarHBondContact O-SG 3.18Å; H2600-C2602 VanDerWaalsContact C-N 3.33Å; H2600-C2602 PolarHBondContact O-N 3.27Å; C2602-E2604 VanDerWaalsContact C-N 3.31Å; C2602-E2604 PolarHBondContact O-N 2.76Å; C2602-W2605 WeakPolarHBondContact O-CA 3.26Å; C2602-W2605 WeakPolarHBondContact O-CB 2.94Å; C2602-W2605 PolarHBondContact O-N 3.45Å; C2602-I2606 WeakPolarHBondContact O-CG1 3.49Å; C2602-I2606 PolarHBondContact O-N 3.19Å
2603V73Confident76.1Confident22 Ų2229.5 Ų29.513%0.13315%0.152CC..Hα-helixtrans-57.4-40.6-177.6-176.30000111.8S2601 W2605 I2606 R2607 L2634 E2638S2601-V2603 PolarHBondContact O-N 2.7Å; V2603-W2605 PolarHBondContact O-N 2.78Å; V2603-I2606 PolarHBondContact O-N 3.33Å; V2603-R2607 PolarHBondContact O-N 3.3Å; V2603-L2634 HydrophobicContact CG1-CB 3.86Å; V2603-L2634 HydrophobicContact CG1-CD2 3.71Å; V2603-L2634 HydrophobicContact CG1-CG 4.23Å; V2603-L2634 WeakPolarHBondContact O-CD2 3.38Å; V2603-E2638 HydrophobicContact CG2-CB 4.16Å; V2603-E2638 HydrophobicContact CG2-CG 4.24Å
2604E67.2Low75.6Confident116 Ų11629.5 Ų29.554%0.54215%0.151SC..Hα-helixtrans-67.7-27.4177.4-70.9-58.5157.700112.9C2602 R2607C2602-E2604 VanDerWaalsContact C-N 3.31Å; C2602-E2604 PolarHBondContact O-N 2.76Å; E2604-R2607 WeakPolarHBondContact O-CB 3.35Å; E2604-R2607 IonicContact OE1-NH1 2.74Å; E2604-R2607 PolarHBondContact OE1-NH1 2.96Å; E2604-R2607 IonicContact OE2-CZ 2.86Å; E2604-R2607 IonicContact OE2-NH1 3.09Å; E2604-R2607 PolarHBondContact OE2-NH1 3.45Å
2605W70.1Confident75.1Confident36 Ų3632.1 Ų32.114%0.13617%0.167CC..Hα-helixtrans-78.2-39.2175.3-170.665.2000111.6Q2114 Q2388 C2389 F2393 C2602 V2603 R2607 L2608 F2609Q2114-W2605 VanDerWaalsContact NE2-CZ2 3.27Å; Q2388-W2605 WeakPolarHBondContact O-CH2 3.46Å; C2389-W2605 HydrophobicContact CB-CH2 4.39Å; C2389-W2605 HydrophobicContact CB-CZ3 4.28Å; C2389-W2605 WeakPolarHBondContact O-CH2 3.35Å; C2389-W2605 WeakPolarHBondContact O-CZ3 3.21Å; C2389-W2605 VanDerWaalsContact SG-CZ3 3.56Å; F2393-W2605 HydrophobicContact CD1-CE3 4.08Å; F2393-W2605 AromaticContact CD1-CZ3 3.6Å; F2393-W2605 HydrophobicContact CD1-CZ3 3.6Å; F2393-W2605 AromaticContact CE1-CE3 3.7Å; F2393-W2605 HydrophobicContact CE1-CE3 3.7Å; F2393-W2605 AromaticContact CE1-CZ3 3.52Å; F2393-W2605 HydrophobicContact CE1-CZ3 3.52Å; F2393-W2605 HydrophobicContact CG-CZ3 4.31Å; F2393-W2605 HydrophobicContact CZ-CE3 4.47Å; F2393-W2605 HydrophobicContact CZ-CZ3 4.15Å; C2602-W2605 WeakPolarHBondContact O-CA 3.26Å; C2602-W2605 WeakPolarHBondContact O-CB 2.94Å; C2602-W2605 PolarHBondContact O-N 3.45Å; V2603-W2605 PolarHBondContact O-N 2.78Å; W2605-R2607 VanDerWaalsContact C-N 3.26Å; W2605-R2607 PolarHBondContact O-N 3.13Å; W2605-L2608 PolarHBondContact O-N 3.47Å; W2605-F2609 AromaticContact CD2-CE2 3.84Å; W2605-F2609 HydrophobicContact CD2-CE2 3.84Å; W2605-F2609 AromaticContact CE2-CE2 3.62Å; W2605-F2609 HydrophobicContact CE3-CE2 4.06Å; W2605-F2609 AromaticContact CH2-CE2 3.9Å; W2605-F2609 HydrophobicContact CH2-CE2 3.9Å; W2605-F2609 HydrophobicContact CH2-CZ 4.22Å; W2605-F2609 AromaticContact CZ2-CE2 3.7Å; W2605-F2609 HydrophobicContact CZ2-CE2 3.7Å; W2605-F2609 AromaticContact CZ2-CZ 3.93Å; W2605-F2609 HydrophobicContact CZ2-CZ 3.93Å; W2605-F2609 HydrophobicContact CZ3-CE2 4.07Å; W2605-F2609 WeakPolarHBondContact O-CD2 3.49Å
2606I77Confident74.7Confident0 Ų031.9 Ų31.90%017%0.168CC..Hα-helixtrans-63.2-32.5173.8-64.2167.2000111.3F2393 F2525 L2526 C2602 V2603 L2608 F2609 L2610 L2634 I2637F2393-I2606 HydrophobicContact CE1-CD1 4.24Å; F2393-I2606 HydrophobicContact CE1-CG1 4.18Å; F2393-I2606 HydrophobicContact CZ-CD1 3.89Å; F2393-I2606 HydrophobicContact CZ-CG1 3.91Å; F2525-I2606 HydrophobicContact CE2-CD1 4.16Å; L2526-I2606 HydrophobicContact CD2-CD1 4.08Å; L2526-I2606 HydrophobicContact CD2-CG2 4.5Å; C2602-I2606 WeakPolarHBondContact O-CG1 3.49Å; C2602-I2606 PolarHBondContact O-N 3.19Å; V2603-I2606 PolarHBondContact O-N 3.33Å; I2606-L2608 PolarHBondContact O-N 3.05Å; I2606-F2609 PolarHBondContact O-N 3.32Å; I2606-L2610 HydrophobicContact CG2-CD1 3.81Å; I2606-L2610 HydrophobicContact CG2-CG 4Å; I2606-L2610 PolarHBondContact O-N 3.36Å; I2606-L2634 HydrophobicContact CB-CD2 4.31Å; I2606-L2634 HydrophobicContact CG2-CD2 4.14Å; I2606-I2637 HydrophobicContact CD1-CG2 4.28Å; I2606-I2637 HydrophobicContact CG2-CD1 4Å
2607R79.3Confident74.3Confident72 Ų7235.5 Ų35.527%0.27218%0.184SC..Hα-helixtrans-50.9-43175.9-178.6178.6-117.8128.5-0.1112.4V2603 E2604 W2605 F2609 L2610 Q2611 I2630 L2634V2603-R2607 PolarHBondContact O-N 3.3Å; E2604-R2607 WeakPolarHBondContact O-CB 3.35Å; E2604-R2607 IonicContact OE1-NH1 2.74Å; E2604-R2607 PolarHBondContact OE1-NH1 2.96Å; E2604-R2607 IonicContact OE2-CZ 2.86Å; E2604-R2607 IonicContact OE2-NH1 3.09Å; E2604-R2607 PolarHBondContact OE2-NH1 3.45Å; W2605-R2607 VanDerWaalsContact C-N 3.26Å; W2605-R2607 PolarHBondContact O-N 3.13Å; R2607-F2609 VanDerWaalsContact C-N 3.34Å; R2607-F2609 PolarHBondContact O-N 3.31Å; R2607-L2610 PolarHBondContact O-N 3.46Å; R2607-Q2611 WeakPolarHBondContact O-CB 3.38Å; R2607-Q2611 PolarHBondContact O-N 2.93Å; R2607-I2630 HydrophobicContact CG-CG2 4.09Å; R2607-L2634 HydrophobicContact CB-CD1 3.71Å; R2607-L2634 HydrophobicContact CB-CD2 4.27Å; R2607-L2634 HydrophobicContact CG-CD1 3.82Å
2608L72.3Confident74Confident61 Ų6137.4 Ų37.432%0.31919%0.194SC..Hα-helixtrans-63.1-39.7179.9-66.7169000112.2L2112 W2605 I2606 S2612L2112-L2608 HydrophobicContact CD2-CD1 3.65Å; W2605-L2608 PolarHBondContact O-N 3.47Å; I2606-L2608 PolarHBondContact O-N 3.05Å; L2608-S2612 PolarHBondContact O-N 3.42Å; L2608-S2612 PolarHBondContact O-OG 3.36Å
2609F77.4Confident73.5Confident0 Ų037.6 Ų37.60%020%0.202CC..Hα-helixtrans-73.9-42.5178.3-65.1-75.7000112.1Q2114 R2385 Q2388 C2389 W2605 I2606 R2607 Q2611 S2612 E2613Q2114-F2609 VanDerWaalsContact OE1-CZ 3.32Å; R2385-F2609 HydrophobicContact CB-CD1 4.07Å; R2385-F2609 HydrophobicContact CB-CE1 4.49Å; R2385-F2609 WeakPolarHBondContact O-CE1 3.44Å; Q2388-F2609 HydrophobicContact CB-CE1 4.21Å; Q2388-F2609 HydrophobicContact CB-CZ 4.47Å; Q2388-F2609 HydrophobicContact CG-CE1 4.41Å; Q2388-F2609 HydrophobicContact CG-CZ 4.38Å; C2389-F2609 HydrophobicContact CB-CD1 4.45Å; C2389-F2609 HydrophobicContact CB-CD2 4.12Å; C2389-F2609 HydrophobicContact CB-CE1 4.38Å; C2389-F2609 HydrophobicContact CB-CE2 4.05Å; C2389-F2609 HydrophobicContact CB-CG 4.32Å; C2389-F2609 HydrophobicContact CB-CZ 4.17Å; W2605-F2609 AromaticContact CD2-CE2 3.84Å; W2605-F2609 HydrophobicContact CD2-CE2 3.84Å; W2605-F2609 AromaticContact CE2-CE2 3.62Å; W2605-F2609 HydrophobicContact CE3-CE2 4.06Å; W2605-F2609 AromaticContact CH2-CE2 3.9Å; W2605-F2609 HydrophobicContact CH2-CE2 3.9Å; W2605-F2609 HydrophobicContact CH2-CZ 4.22Å; W2605-F2609 AromaticContact CZ2-CE2 3.7Å; W2605-F2609 HydrophobicContact CZ2-CE2 3.7Å; W2605-F2609 AromaticContact CZ2-CZ 3.93Å; W2605-F2609 HydrophobicContact CZ2-CZ 3.93Å; W2605-F2609 HydrophobicContact CZ3-CE2 4.07Å; W2605-F2609 WeakPolarHBondContact O-CD2 3.49Å; I2606-F2609 PolarHBondContact O-N 3.32Å; R2607-F2609 VanDerWaalsContact C-N 3.34Å; R2607-F2609 PolarHBondContact O-N 3.31Å; F2609-Q2611 VanDerWaalsContact C-N 3.28Å; F2609-Q2611 PolarHBondContact O-N 3.08Å; F2609-S2612 WeakPolarHBondContact CA-OG 3.43Å; F2609-S2612 PolarHBondContact O-N 3.39Å; F2609-S2612 PolarHBondContact O-OG 2.85Å; F2609-E2613 WeakPolarHBondContact O-CB 3.49Å; F2609-E2613 WeakPolarHBondContact O-CG 3.46Å; F2609-E2613 PolarHBondContact O-N 2.95Å
2610L79Confident73.5Confident0 Ų043 Ų430%023%0.227CC..Hα-helixtrans-64.2-36.8174.8-77.8173.5000111.8F2552 F2554 M2560 I2606 R2607 E2613 H2614 N2633 L2634 I2637F2552-L2610 HydrophobicContact CD1-CD2 4.23Å; F2552-L2610 HydrophobicContact CE1-CD2 4.29Å; F2554-L2610 HydrophobicContact CE1-CD2 4.13Å; F2554-L2610 HydrophobicContact CZ-CD2 4.01Å; M2560-L2610 HydrophobicContact SD-CD2 4.35Å; I2606-L2610 HydrophobicContact CG2-CD1 3.81Å; I2606-L2610 HydrophobicContact CG2-CG 4Å; I2606-L2610 PolarHBondContact O-N 3.36Å; R2607-L2610 PolarHBondContact O-N 3.46Å; L2610-E2613 PolarHBondContact O-N 3.27Å; L2610-H2614 WeakPolarHBondContact O-CB 3.42Å; L2610-H2614 PolarHBondContact O-CD2 3.1Å; L2610-H2614 VanDerWaalsContact O-CD2 3.3Å; L2610-H2614 PolarHBondContact O-N 3.36Å; L2610-N2633 HydrophobicContact CD1-CB 4.37Å; L2610-L2634 HydrophobicContact CD1-CD2 3.68Å; L2610-L2634 HydrophobicContact CD1-CG 4.09Å; L2610-I2637 HydrophobicContact CD1-CD1 3.72Å
2611Q77.1Confident73.7Confident22 Ų2243.9 Ų43.910%0.10323%0.232CC..Hα-helixtrans-65.3-44.4178.4-170.5155.734.500111.5R2125 R2607 F2609 T2615 I2630R2125-Q2611 VanDerWaalsContact NH2-CD 3.35Å; R2607-Q2611 WeakPolarHBondContact O-CB 3.38Å; R2607-Q2611 PolarHBondContact O-N 2.93Å; F2609-Q2611 VanDerWaalsContact C-N 3.28Å; F2609-Q2611 PolarHBondContact O-N 3.08Å; Q2611-T2615 PolarHBondContact O-N 3.11Å; Q2611-T2615 VanDerWaalsContact O-N 3.09Å; Q2611-T2615 PolarHBondContact O-OG1 3.48Å; Q2611-I2630 HydrophobicContact CB-CD1 3.77Å; Q2611-I2630 HydrophobicContact CG-CD1 3.76Å
2612S73.4Confident74.1Confident8 Ų843.2 Ų43.26%0.05623%0.227CC..Hα-helixtrans-63.5-44.1174.136.60000112E2120 L2608 F2609 H2614 T2615 L2616E2120-S2612 WeakPolarHBondContact OE1-CB 3.49Å; E2120-S2612 WeakPolarHBondContact OE2-CB 3.3Å; L2608-S2612 PolarHBondContact O-N 3.42Å; L2608-S2612 PolarHBondContact O-OG 3.36Å; F2609-S2612 WeakPolarHBondContact CA-OG 3.43Å; F2609-S2612 PolarHBondContact O-N 3.39Å; F2609-S2612 PolarHBondContact O-OG 2.85Å; S2612-H2614 PolarHBondContact O-N 2.65Å; S2612-T2615 PolarHBondContact O-N 2.91Å; S2612-L2616 WeakPolarHBondContact O-CB 3.31Å; S2612-L2616 PolarHBondContact O-N 3.05Å
2613E76.9Confident74Confident1 Ų148.4 Ų48.41%0.00525%0.251CS..Hα-helixtrans-60.6-45.5176.6-78-57.412400113.8S2382 R2385 F2552 F2554 F2609 L2610 T2615 L2616 K2617S2382-E2613 WeakPolarHBondContact CA-OE1 3.36Å; S2382-E2613 WeakPolarHBondContact CB-OE1 3.4Å; S2382-E2613 WeakPolarHBondContact CB-OE2 3.3Å; S2382-E2613 PolarHBondContact OG-OE1 3.18Å; S2382-E2613 PolarHBondContact OG-OE2 2.83Å; R2385-E2613 IonicContact CZ-OE1 2.7Å; R2385-E2613 IonicContact NH1-OE1 3.58Å; R2385-E2613 PolarHBondContact NH1-OE1 2.75Å; F2552-E2613 HydrophobicContact CD2-CG 3.79Å; F2552-E2613 HydrophobicContact CE2-CG 4.22Å; F2554-E2613 HydrophobicContact CE2-CB 4.2Å; F2554-E2613 HydrophobicContact CZ-CB 4.24Å; F2609-E2613 WeakPolarHBondContact O-CB 3.49Å; F2609-E2613 WeakPolarHBondContact O-CG 3.46Å; F2609-E2613 PolarHBondContact O-N 2.95Å; L2610-E2613 PolarHBondContact O-N 3.27Å; E2613-T2615 VanDerWaalsContact C-N 3.28Å; E2613-T2615 PolarHBondContact O-N 3.43Å; E2613-L2616 PolarHBondContact O-N 2.72Å; E2613-L2616 VanDerWaalsContact O-N 3.16Å; E2613-K2617 PolarHBondContact O-N 3.32Å
2614H77.2Confident74.1Confident1 Ų154.9 Ų54.91%0.00528%0.28CS..Hα-helixtrans-62.9-37.1176.3-92.8-88.2000112F2554 G2558 L2610 S2612 L2616 L2618 R2626 L2629 N2633F2554-H2614 AromaticContact CD1-NE2 3.86Å; F2554-H2614 AromaticContact CE1-NE2 3.41Å; F2554-H2614 WeakPolarHBondContact CE1-NE2 3.2Å; F2554-H2614 AromaticContact CZ-NE2 3.83Å; G2558-H2614 PolarHBondContact O-CE1 3.4Å; G2558-H2614 PolarHBondContact O-NE2 3.26Å; L2610-H2614 WeakPolarHBondContact O-CB 3.42Å; L2610-H2614 PolarHBondContact O-CD2 3.1Å; L2610-H2614 VanDerWaalsContact O-CD2 3.3Å; L2610-H2614 PolarHBondContact O-N 3.36Å; S2612-H2614 PolarHBondContact O-N 2.65Å; H2614-L2616 VanDerWaalsContact C-N 3.27Å; H2614-L2616 PolarHBondContact O-N 3.41Å; H2614-L2618 CarbonylContact O-C 3.48Å; H2614-L2618 WeakPolarHBondContact O-CA 3.4Å; H2614-L2618 WeakPolarHBondContact O-CB 3.48Å; H2614-L2618 PolarHBondContact O-N 3.44Å; H2614-R2626 HydrophobicContact CB-CG 3.89Å; H2614-L2629 WeakPolarHBondContact CE1-CD2 3.27Å; H2614-N2633 PolarHBondContact NE2-ND2 3.43Å
2615T75.3Confident74.7Confident54 Ų5454.5 Ų54.533%0.33127%0.274SS..Hα-helixtrans-66.6-34.6177-42.50000111Q2611 S2612 E2613Q2611-T2615 PolarHBondContact O-N 3.11Å; Q2611-T2615 VanDerWaalsContact O-N 3.09Å; Q2611-T2615 PolarHBondContact O-OG1 3.48Å; S2612-T2615 PolarHBondContact O-N 2.91Å; E2613-T2615 VanDerWaalsContact C-N 3.28Å; E2613-T2615 PolarHBondContact O-N 3.43Å
2616L71.1Confident75.1Confident28 Ų2853.9 Ų53.915%0.14727%0.272CS..Hα-helixtrans-82.5-39.2-175.6-151.1136000113.7K2378 S2612 E2613 H2614K2378-L2616 HydrophobicContact CB-CD2 3.47Å; K2378-L2616 VanDerWaalsContact CB-CD2 3.47Å; K2378-L2616 HydrophobicContact CD-CD2 4.01Å; K2378-L2616 HydrophobicContact CG-CD2 3.65Å; S2612-L2616 WeakPolarHBondContact O-CB 3.31Å; S2612-L2616 PolarHBondContact O-N 3.05Å; E2613-L2616 PolarHBondContact O-N 2.72Å; E2613-L2616 VanDerWaalsContact O-N 3.16Å; H2614-L2616 VanDerWaalsContact C-N 3.27Å; H2614-L2616 PolarHBondContact O-N 3.41Å
2617K72.2Confident75.2Confident79 Ų7957.7 Ų57.734%0.34329%0.29SS..Hα-helixtrans-89.3-25.4180-68.7-168.3178.2-172.80113.7F2552 F2554 E2613F2552-K2617 PolarHBondContact O-NZ 3.05Å; F2554-K2617 HydrophobicContact CD2-CD 3.95Å; F2554-K2617 HydrophobicContact CE2-CD 4.19Å; E2613-K2617 PolarHBondContact O-N 3.32Å
2618L74.8Confident75.4Confident42 Ų4260.7 Ų60.722%0.2231%0.307CS..  trans-128.569.3-177.1-61.8166.4000111.6H2614 N2620 I2621 R2626 L2629H2614-L2618 CarbonylContact O-C 3.48Å; H2614-L2618 WeakPolarHBondContact O-CA 3.4Å; H2614-L2618 WeakPolarHBondContact O-CB 3.48Å; H2614-L2618 PolarHBondContact O-N 3.44Å; L2618-N2620 VanDerWaalsContact C-N 3.3Å; L2618-N2620 PolarHBondContact O-N 2.8Å; L2618-I2621 HydrophobicContact CB-CD1 3.59Å; L2618-I2621 HydrophobicContact CB-CG1 4.03Å; L2618-I2621 HydrophobicContact CD1-CD1 3.74Å; L2618-I2621 HydrophobicContact CD2-CD1 4.04Å; L2618-I2621 HydrophobicContact CG-CD1 3.98Å; L2618-R2626 PolarHBondContact O-NH2 3.33Å; L2618-L2629 HydrophobicContact CD1-CD2 4.47Å
2619P68.1Low75.9Confident81 Ų8158 Ų5853%0.52629%0.293SS..THydrogen-bonded Turntrans-65.9-31.4-176.525.7-33.5000112.9I2621P2619-I2621 VanDerWaalsContact C-N 3.32Å; P2619-I2621 PolarHBondContact O-N 3.34Å
2620N71.1Confident76.2Confident161 Ų16158 Ų5886%0.86129%0.293SS*.THydrogen-bonded Turntrans-84.66.9-169-64.1-13.4000115.3L2618L2618-N2620 VanDerWaalsContact C-N 3.3Å; L2618-N2620 PolarHBondContact O-N 2.8Å
2621I73.9Confident76.5Confident47 Ų4758.9 Ų58.924%0.24130%0.302CS..SBendtrans-97.5143.1-174.6-58.2-172000111.2L2618 P2619 Y2625 R2626L2618-I2621 HydrophobicContact CB-CD1 3.59Å; L2618-I2621 HydrophobicContact CB-CG1 4.03Å; L2618-I2621 HydrophobicContact CD1-CD1 3.74Å; L2618-I2621 HydrophobicContact CD2-CD1 4.04Å; L2618-I2621 HydrophobicContact CG-CD1 3.98Å; P2619-I2621 VanDerWaalsContact C-N 3.32Å; P2619-I2621 PolarHBondContact O-N 3.34Å; I2621-Y2625 HydrophobicContact CG2-CD1 3.48Å; I2621-Y2625 VanDerWaalsContact CG2-CD1 3.48Å; I2621-Y2625 HydrophobicContact CG2-CE1 4.42Å; I2621-Y2625 HydrophobicContact CG2-CG 4.18Å; I2621-R2626 PolarHBondContact O-NH2 2.94Å
2622S76.1Confident76.9Confident73 Ų7363.5 Ų63.551%0.5132%0.322SS..  trans-62.9145.1175.473.50000112.2E2624 Y2625 R2626S2622-E2624 VanDerWaalsContact C-N 3.29Å; S2622-E2624 PolarHBondContact O-N 3.17Å; S2622-Y2625 PolarHBondContact O-N 3.47Å; S2622-Y2625 WeakPolarHBondContact OG-CB 3.43Å; S2622-Y2625 PolarHBondContact OG-N 2.82Å; S2622-R2626 WeakPolarHBondContact O-CB 3.44Å; S2622-R2626 PolarHBondContact O-N 2.95Å
2623E71.4Confident77.6Confident113 Ų11363.3 Ų63.353%0.52832%0.32SS..Hα-helixtrans-65-31.9-173.7-165157.9-165.100112.9R2125 R2626 Q2627R2125-E2623 IonicContact NH2-OE1 3.99Å; E2623-R2626 PolarHBondContact O-N 3.4Å; E2623-Q2627 WeakPolarHBondContact O-CB 3.26Å; E2623-Q2627 VanDerWaalsContact O-CG 3.23Å; E2623-Q2627 WeakPolarHBondContact O-CG 3.32Å; E2623-Q2627 PolarHBondContact O-N 3.15Å
2624E75.5Confident78Confident158 Ų15863.6 Ų63.674%0.73832%0.322SS*.Hα-helixtrans-64.8-46.6172.8-71.3-176163.800112.5S2622 R2626 Q2627 Q2628S2622-E2624 VanDerWaalsContact C-N 3.29Å; S2622-E2624 PolarHBondContact O-N 3.17Å; E2624-R2626 VanDerWaalsContact C-N 3.33Å; E2624-R2626 PolarHBondContact O-N 3.06Å; E2624-Q2627 PolarHBondContact O-N 3.2Å; E2624-Q2628 PolarHBondContact O-N 2.94Å
2625Y79Confident78.4Confident107 Ų10770.8 Ų70.842%0.4235%0.353SS..Hα-helixtrans-66.4-39177.9-171.8-96000110.8I2621 S2622 Q2627 Q2628 L2629I2621-Y2625 HydrophobicContact CG2-CD1 3.48Å; I2621-Y2625 VanDerWaalsContact CG2-CD1 3.48Å; I2621-Y2625 HydrophobicContact CG2-CE1 4.42Å; I2621-Y2625 HydrophobicContact CG2-CG 4.18Å; S2622-Y2625 PolarHBondContact O-N 3.47Å; S2622-Y2625 WeakPolarHBondContact OG-CB 3.43Å; S2622-Y2625 PolarHBondContact OG-N 2.82Å; Y2625-Q2627 VanDerWaalsContact C-N 3.34Å; Y2625-Q2627 PolarHBondContact O-N 3.39Å; Y2625-Q2628 PolarHBondContact O-N 3.21Å; Y2625-L2629 HydrophobicContact CE1-CD1 4.4Å; Y2625-L2629 HydrophobicContact CE1-CD2 4.36Å; Y2625-L2629 WeakPolarHBondContact O-CB 3.46Å; Y2625-L2629 PolarHBondContact O-N 3.19Å
2626R79Confident78.9Confident24 Ų2469.1 Ų69.19%0.09135%0.345CS..Hα-helixtrans-57.9-45.4173.5-165.7-175.1-67116.72.3111.4H2614 L2618 I2621 S2622 E2623 E2624 L2629 I2630H2614-R2626 HydrophobicContact CB-CG 3.89Å; L2618-R2626 PolarHBondContact O-NH2 3.33Å; I2621-R2626 PolarHBondContact O-NH2 2.94Å; S2622-R2626 WeakPolarHBondContact O-CB 3.44Å; S2622-R2626 PolarHBondContact O-N 2.95Å; E2623-R2626 PolarHBondContact O-N 3.4Å; E2624-R2626 VanDerWaalsContact C-N 3.33Å; E2624-R2626 PolarHBondContact O-N 3.06Å; R2626-L2629 PolarHBondContact O-N 2.88Å; R2626-I2630 HydrophobicContact CG-CD1 4.06Å; R2626-I2630 WeakPolarHBondContact O-CB 3.26Å; R2626-I2630 WeakPolarHBondContact O-CD1 3.25Å; R2626-I2630 WeakPolarHBondContact O-CG1 3.49Å; R2626-I2630 PolarHBondContact O-N 3.36Å
2627Q79.5Confident79.7Confident80 Ų8067.8 Ų67.837%0.37434%0.338SS..Hα-helixtrans-62.2-42.1175.8-73.9-87.11.300112.4E2623 E2624 Y2625 G2631E2623-Q2627 WeakPolarHBondContact O-CB 3.26Å; E2623-Q2627 VanDerWaalsContact O-CG 3.23Å; E2623-Q2627 WeakPolarHBondContact O-CG 3.32Å; E2623-Q2627 PolarHBondContact O-N 3.15Å; E2624-Q2627 PolarHBondContact O-N 3.2Å; Y2625-Q2627 VanDerWaalsContact C-N 3.34Å; Y2625-Q2627 PolarHBondContact O-N 3.39Å; Q2627-G2631 PolarHBondContact O-N 2.9Å
2628Q82.9Confident80.3Confident135 Ų13569.4 Ų69.463%0.63135%0.347SS*.Hα-helixtrans-62.6-43.4175-74.2-176.5-1.600112.1E2624 Y2625 G2631 K2632E2624-Q2628 PolarHBondContact O-N 2.94Å; Y2625-Q2628 PolarHBondContact O-N 3.21Å; Q2628-G2631 PolarHBondContact O-N 2.69Å; Q2628-K2632 PolarHBondContact O-N 3.05Å
2629L83.6Confident80.8Confident3 Ų369.6 Ų69.62%0.01636%0.355CS..Hα-helixtrans-65.5-42.8179.8-160.768.9000111.7E2559 H2614 L2618 Y2625 R2626 G2631 K2632 N2633E2559-L2629 HydrophobicContact CG-CD1 3.62Å; H2614-L2629 WeakPolarHBondContact CE1-CD2 3.27Å; L2618-L2629 HydrophobicContact CD1-CD2 4.47Å; Y2625-L2629 HydrophobicContact CE1-CD1 4.4Å; Y2625-L2629 HydrophobicContact CE1-CD2 4.36Å; Y2625-L2629 WeakPolarHBondContact O-CB 3.46Å; Y2625-L2629 PolarHBondContact O-N 3.19Å; R2626-L2629 PolarHBondContact O-N 2.88Å; L2629-G2631 VanDerWaalsContact C-N 3.33Å; L2629-G2631 PolarHBondContact O-N 3.21Å; L2629-K2632 PolarHBondContact O-N 3.49Å; L2629-N2633 PolarHBondContact O-N 2.96Å; L2629-N2633 PolarHBondContact O-ND2 3.26Å
2630I83.1Confident81.7Confident0 Ų067.1 Ų67.10%034%0.335CS..Hα-helixtrans-59.4-45.4171.6-67.6160.3000110.2R2607 Q2611 R2626 K2632 N2633 L2634R2607-I2630 HydrophobicContact CG-CG2 4.09Å; Q2611-I2630 HydrophobicContact CB-CD1 3.77Å; Q2611-I2630 HydrophobicContact CG-CD1 3.76Å; R2626-I2630 HydrophobicContact CG-CD1 4.06Å; R2626-I2630 WeakPolarHBondContact O-CB 3.26Å; R2626-I2630 WeakPolarHBondContact O-CD1 3.25Å; R2626-I2630 WeakPolarHBondContact O-CG1 3.49Å; R2626-I2630 PolarHBondContact O-N 3.36Å; I2630-K2632 VanDerWaalsContact C-N 3.34Å; I2630-K2632 PolarHBondContact O-N 3.16Å; I2630-N2633 PolarHBondContact O-N 3.45Å; I2630-L2634 HydrophobicContact CG2-CD1 3.75Å; I2630-L2634 HydrophobicContact CG2-CG 4.22Å; I2630-L2634 WeakPolarHBondContact O-CB 3.43Å; I2630-L2634 VanDerWaalsContact O-CG 3.28Å; I2630-L2634 WeakPolarHBondContact O-CG 3.49Å; I2630-L2634 PolarHBondContact O-N 3.14Å
2631G84.6Confident82.3Confident20 Ų2059.7 Ų59.721%0.20630%0.295CS..Hα-helixtrans-59.2-40.8176.800000113.5Q2627 Q2628 L2629 K2635Q2627-G2631 PolarHBondContact O-N 2.9Å; Q2628-G2631 PolarHBondContact O-N 2.69Å; L2629-G2631 VanDerWaalsContact C-N 3.33Å; L2629-G2631 PolarHBondContact O-N 3.21Å; G2631-K2635 WeakPolarHBondContact O-CG 3.42Å; G2631-K2635 PolarHBondContact O-N 3.47Å
2632K86.3Confident82.8Confident119 Ų11961.6 Ų61.652%0.51730%0.303SS..Hα-helixtrans-62.9-49.2172.8-88.5-178.9166.5-175.20112.1E2559 Q2628 L2629 I2630 L2634 K2635 A2636E2559-K2632 IonicContact OE1-NZ 3.86Å; E2559-K2632 PolarHBondContact OE1-NZ 2.95Å; Q2628-K2632 PolarHBondContact O-N 3.05Å; L2629-K2632 PolarHBondContact O-N 3.49Å; I2630-K2632 VanDerWaalsContact C-N 3.34Å; I2630-K2632 PolarHBondContact O-N 3.16Å; K2632-L2634 VanDerWaalsContact C-N 3.34Å; K2632-L2634 PolarHBondContact O-N 3.12Å; K2632-K2635 PolarHBondContact O-N 3.34Å; K2632-A2636 PolarHBondContact O-N 3.26Å; K2632-A2636 VanDerWaalsContact O-N 3.11Å
2633N87.9Confident83.1Confident3 Ų362.1 Ų62.12%0.01630%0.297CS..Hα-helixtrans-63.1-39.3-178.6-75.6-27.1000112G2558 E2559 M2560 L2610 H2614 L2629 I2630 A2636 I2637G2558-N2633 PolarHBondContact O-ND2 3.47Å; E2559-N2633 WeakPolarHBondContact CA-OD1 3.45Å; M2560-N2633 HydrophobicContact CE-CB 4.3Å; M2560-N2633 HydrophobicContact CG-CB 4.5Å; M2560-N2633 PolarHBondContact N-OD1 3.07Å; L2610-N2633 HydrophobicContact CD1-CB 4.37Å; H2614-N2633 PolarHBondContact NE2-ND2 3.43Å; L2629-N2633 PolarHBondContact O-N 2.96Å; L2629-N2633 PolarHBondContact O-ND2 3.26Å; I2630-N2633 PolarHBondContact O-N 3.45Å; N2633-A2636 PolarHBondContact O-N 3.47Å; N2633-I2637 WeakPolarHBondContact O-CG1 3.49Å; N2633-I2637 PolarHBondContact O-N 3.12Å
2634L85.5Confident83.6Confident7 Ų756.9 Ų56.94%0.03727%0.273CS..Hα-helixtrans-63.7-42.4175.4-71.6170.5000112.4V2603 I2606 R2607 L2610 I2630 K2632 A2636 I2637 E2638V2603-L2634 HydrophobicContact CG1-CB 3.86Å; V2603-L2634 HydrophobicContact CG1-CD2 3.71Å; V2603-L2634 HydrophobicContact CG1-CG 4.23Å; V2603-L2634 WeakPolarHBondContact O-CD2 3.38Å; I2606-L2634 HydrophobicContact CB-CD2 4.31Å; I2606-L2634 HydrophobicContact CG2-CD2 4.14Å; R2607-L2634 HydrophobicContact CB-CD1 3.71Å; R2607-L2634 HydrophobicContact CB-CD2 4.27Å; R2607-L2634 HydrophobicContact CG-CD1 3.82Å; L2610-L2634 HydrophobicContact CD1-CD2 3.68Å; L2610-L2634 HydrophobicContact CD1-CG 4.09Å; I2630-L2634 HydrophobicContact CG2-CD1 3.75Å; I2630-L2634 HydrophobicContact CG2-CG 4.22Å; I2630-L2634 WeakPolarHBondContact O-CB 3.43Å; I2630-L2634 VanDerWaalsContact O-CG 3.28Å; I2630-L2634 WeakPolarHBondContact O-CG 3.49Å; I2630-L2634 PolarHBondContact O-N 3.14Å; K2632-L2634 VanDerWaalsContact C-N 3.34Å; K2632-L2634 PolarHBondContact O-N 3.12Å; L2634-A2636 VanDerWaalsContact C-N 3.29Å; L2634-A2636 PolarHBondContact O-N 3.46Å; L2634-I2637 PolarHBondContact O-N 3.17Å; L2634-E2638 WeakPolarHBondContact O-CB 3.45Å; L2634-E2638 PolarHBondContact O-N 3.24Å
2635K86Confident83.7Confident153 Ų15349.5 Ų49.567%0.66524%0.239SC*.Hα-helixtrans-61.5-38174.8-75.6-179.8178.4-176.40112.2G2631 K2632 E2638 A2639G2631-K2635 WeakPolarHBondContact O-CG 3.42Å; G2631-K2635 PolarHBondContact O-N 3.47Å; K2632-K2635 PolarHBondContact O-N 3.34Å; K2635-E2638 PolarHBondContact O-N 2.66Å; K2635-A2639 WeakPolarHBondContact O-CB 3.46Å; K2635-A2639 PolarHBondContact O-N 3.18Å
2636A86.2Confident83.5Confident19 Ų1947.1 Ų47.116%0.15723%0.233CC..Hα-helixtrans-65.9-41.9175.900000112K2632 N2633 L2634 A2639 R2640K2632-A2636 PolarHBondContact O-N 3.26Å; K2632-A2636 VanDerWaalsContact O-N 3.11Å; N2633-A2636 PolarHBondContact O-N 3.47Å; L2634-A2636 VanDerWaalsContact C-N 3.29Å; L2634-A2636 PolarHBondContact O-N 3.46Å; A2636-A2639 PolarHBondContact O-N 3.39Å; A2636-R2640 WeakPolarHBondContact O-CG 3.39Å; A2636-R2640 PolarHBondContact O-N 3.35Å; A2636-R2640 VanDerWaalsContact O-N 3.12Å
2637I86.9Confident82.9Confident0 Ų046.4 Ų46.40%023%0.231CC..Hα-helixtrans-61.6-47.2174.5-70.2160.1000111F2525 M2560 I2606 L2610 N2633 L2634 A2639 R2640 L2641F2525-I2637 HydrophobicContact CD2-CG2 3.98Å; F2525-I2637 HydrophobicContact CE2-CG2 4.4Å; M2560-I2637 HydrophobicContact CE-CD1 3.35Å; M2560-I2637 HydrophobicContact CE-CG1 3.45Å; M2560-I2637 VanDerWaalsContact CE-CG1 3.45Å; I2606-I2637 HydrophobicContact CD1-CG2 4.28Å; I2606-I2637 HydrophobicContact CG2-CD1 4Å; L2610-I2637 HydrophobicContact CD1-CD1 3.72Å; N2633-I2637 WeakPolarHBondContact O-CG1 3.49Å; N2633-I2637 PolarHBondContact O-N 3.12Å; L2634-I2637 PolarHBondContact O-N 3.17Å; I2637-A2639 VanDerWaalsContact C-N 3.34Å; I2637-A2639 PolarHBondContact O-N 2.93Å; I2637-R2640 PolarHBondContact O-N 2.85Å; I2637-L2641 HydrophobicContact CG2-CD1 3.97Å; I2637-L2641 HydrophobicContact CG2-CG 4.48Å; I2637-L2641 PolarHBondContact O-N 3.42Å
2638E84.6Confident81.9Confident112 Ų11247 Ų4752%0.52323%0.234SC..Hα-helixtrans-61.4-42.4-179.7-169.9175.2-168.600111.6V2603 L2634 K2635 L2641 H2642V2603-E2638 HydrophobicContact CG2-CB 4.16Å; V2603-E2638 HydrophobicContact CG2-CG 4.24Å; L2634-E2638 WeakPolarHBondContact O-CB 3.45Å; L2634-E2638 PolarHBondContact O-N 3.24Å; K2635-E2638 PolarHBondContact O-N 2.66Å; E2638-L2641 PolarHBondContact O-N 3.04Å; E2638-H2642 WeakPolarHBondContact O-CB 3.18Å; E2638-H2642 PolarHBondContact O-N 3.11Å
2639A85.8Confident80.5Confident47 Ų4745.5 Ų45.539%0.38823%0.234SC..Hα-helixtrans-60-46.8174.600000112.2K2635 A2636 I2637 L2641 H2642 E2643K2635-A2639 WeakPolarHBondContact O-CB 3.46Å; K2635-A2639 PolarHBondContact O-N 3.18Å; A2636-A2639 PolarHBondContact O-N 3.39Å; I2637-A2639 VanDerWaalsContact C-N 3.34Å; I2637-A2639 PolarHBondContact O-N 2.93Å; A2639-L2641 PolarHBondContact O-N 2.9Å; A2639-H2642 PolarHBondContact O-N 3.37Å; A2639-E2643 WeakPolarHBondContact O-CG 3.45Å; A2639-E2643 PolarHBondContact O-N 3.5Å
2640R87.4Confident79Confident29 Ų2946.7 Ų46.711%0.10925%0.247CC..Hα-helixtrans-64.7-38.8178.5-70.2177.4-165.7155.76.2112.9Y2524 F2527 M2560 N2561 A2636 I2637 L2644Y2524-R2640 HydrophobicContact CD1-CB 4.36Å; Y2524-R2640 HydrophobicContact CE1-CB 3.93Å; Y2524-R2640 HydrophobicContact CE1-CG 3.99Å; Y2524-R2640 WeakPolarHBondContact O-CD 3.28Å; F2527-R2640 VanDerWaalsContact CD2-NH1 3.28Å; M2560-R2640 PolarHBondContact O-NH2 3.44Å; N2561-R2640 PolarHBondContact OD1-NH2 2.86Å; N2561-R2640 VanDerWaalsContact OD1-NH2 3.14Å; A2636-R2640 WeakPolarHBondContact O-CG 3.39Å; A2636-R2640 PolarHBondContact O-N 3.35Å; A2636-R2640 VanDerWaalsContact O-N 3.12Å; I2637-R2640 PolarHBondContact O-N 2.85Å; R2640-L2644 WeakPolarHBondContact O-CG 3.42Å; R2640-L2644 PolarHBondContact O-N 2.92Å
2641L83.7Confident77.7Confident4 Ų452.4 Ų52.42%0.02128%0.278CS..Hα-helixtrans-63.1-43.1174.3-78.2171.1000111.2F2521 F2525 L2597 I2637 E2638 A2639 L2644 A2645F2521-L2641 HydrophobicContact CE2-CD2 3.81Å; F2521-L2641 HydrophobicContact CZ-CD2 3.81Å; F2525-L2641 HydrophobicContact CB-CD2 4.01Å; F2525-L2641 HydrophobicContact CB-CG 4.28Å; F2525-L2641 HydrophobicContact CD1-CD2 4.37Å; F2525-L2641 HydrophobicContact CD2-CD1 4.05Å; F2525-L2641 HydrophobicContact CD2-CD2 3.67Å; F2525-L2641 HydrophobicContact CD2-CG 3.82Å; F2525-L2641 HydrophobicContact CE2-CD1 4.31Å; F2525-L2641 HydrophobicContact CE2-CD2 4.18Å; F2525-L2641 HydrophobicContact CE2-CG 4.48Å; F2525-L2641 HydrophobicContact CG-CD2 3.79Å; F2525-L2641 HydrophobicContact CG-CG 4.26Å; L2597-L2641 HydrophobicContact CB-CD2 4.31Å; I2637-L2641 HydrophobicContact CG2-CD1 3.97Å; I2637-L2641 HydrophobicContact CG2-CG 4.48Å; I2637-L2641 PolarHBondContact O-N 3.42Å; E2638-L2641 PolarHBondContact O-N 3.04Å; A2639-L2641 PolarHBondContact O-N 2.9Å; L2641-L2644 PolarHBondContact O-N 3.28Å; L2641-A2645 WeakPolarHBondContact O-CB 3.42Å; L2641-A2645 PolarHBondContact O-N 3.05Å; L2641-A2645 VanDerWaalsContact O-N 3.09Å
2642H84Confident76.8Confident88 Ų8851.7 Ų51.741%0.40727%0.269SS..Hα-helixtrans-64.3-42.8177.8-167.758.9000112.5Q2598 E2638 A2639 L2644 A2645 N2646Q2598-H2642 PolarHBondContact NE2-ND1 3.47Å; E2638-H2642 WeakPolarHBondContact O-CB 3.18Å; E2638-H2642 PolarHBondContact O-N 3.11Å; A2639-H2642 PolarHBondContact O-N 3.37Å; H2642-L2644 VanDerWaalsContact C-N 3.32Å; H2642-L2644 PolarHBondContact O-N 3.09Å; H2642-A2645 PolarHBondContact O-N 3.45Å; H2642-N2646 PolarHBondContact CD2-ND2 3.48Å; H2642-N2646 PolarHBondContact CE1-ND2 3.38Å; H2642-N2646 VanDerWaalsContact CE1-ND2 3.27Å; H2642-N2646 PolarHBondContact NE2-ND2 3.34Å; H2642-N2646 PolarHBondContact O-N 2.85Å
2643E82Confident76.3Confident84 Ų8452.1 Ų52.139%0.39327%0.268SS..Hα-helixtrans-59.3-39.2176.3-76.4176.5-169.900113Y2524 A2639Y2524-E2643 PolarHBondContact OH-OE2 3.45Å; A2639-E2643 WeakPolarHBondContact O-CG 3.45Å; A2639-E2643 PolarHBondContact O-N 3.5Å
2644L82Confident75.8Confident3 Ų352 Ų522%0.01627%0.268CS..Hα-helixtrans-79-27.8-179.8-72.5176.6000113.5F2521 Y2524 A2594 R2640 L2641 H2642 A2654 L2657F2521-L2644 HydrophobicContact CD2-CD1 3.83Å; F2521-L2644 HydrophobicContact CE2-CD1 4.18Å; Y2524-L2644 HydrophobicContact CD1-CD1 3.65Å; Y2524-L2644 HydrophobicContact CD1-CG 4.23Å; Y2524-L2644 HydrophobicContact CE1-CD1 4.1Å; Y2524-L2644 HydrophobicContact CE1-CD2 4.49Å; Y2524-L2644 HydrophobicContact CE1-CG 4.19Å; A2594-L2644 HydrophobicContact CB-CB 3.8Å; R2640-L2644 WeakPolarHBondContact O-CG 3.42Å; R2640-L2644 PolarHBondContact O-N 2.92Å; L2641-L2644 PolarHBondContact O-N 3.28Å; H2642-L2644 VanDerWaalsContact C-N 3.32Å; H2642-L2644 PolarHBondContact O-N 3.09Å; L2644-A2654 HydrophobicContact CD2-CB 4.02Å; L2644-L2657 HydrophobicContact CD2-CD1 3.77Å
2645A77.6Confident75.4Confident3 Ų353.6 Ų53.63%0.02528%0.275CS..Hα-helixtrans-79.3-27.8-178.900000113.5A2594 R2595 L2641 H2642A2594-A2645 HydrophobicContact CB-CB 4.16Å; R2595-A2645 HydrophobicContact CG-CB 3.88Å; R2595-A2645 PolarHBondContact NE-O 3.28Å; L2641-A2645 WeakPolarHBondContact O-CB 3.42Å; L2641-A2645 PolarHBondContact O-N 3.05Å; L2641-A2645 VanDerWaalsContact O-N 3.09Å; H2642-A2645 PolarHBondContact O-N 3.45Å
2646N75Confident75.2Confident57 Ų5749.7 Ų49.731%0.30526%0.264SS..  trans-81.4127.7-177.7-76.2-16.8000112.4H2642H2642-N2646 PolarHBondContact CD2-ND2 3.48Å; H2642-N2646 PolarHBondContact CE1-ND2 3.38Å; H2642-N2646 VanDerWaalsContact CE1-ND2 3.27Å; H2642-N2646 PolarHBondContact NE2-ND2 3.34Å; H2642-N2646 PolarHBondContact O-N 2.85Å
2647V66.5Low75.1Confident8 Ų849.5 Ų49.55%0.04826%0.26CS..  trans-128.347.1-176.3-165.50000110.4L1766 W1767 V2591L1766-V2647 HydrophobicContact CD2-CG1 3.18Å; L1766-V2647 HydrophobicContact CG-CG1 4.02Å; W1767-V2647 PolarHBondContact NE1-O 3.32Å; V2591-V2647 HydrophobicContact CG1-CG2 3.94Å
2648E58.6Low75Confident94 Ų9449.7 Ų49.744%0.43926%0.261SS..  trans-83.1-31.6-169.4-61.2-166.7153.300114.1Q1763 R2069Q1763-E2648 PolarHBondContact NE2-O 3.38Å; R2069-E2648 IonicContact CZ-OE1 2.69Å; R2069-E2648 IonicContact NH1-OE1 3.82Å; R2069-E2648 PolarHBondContact NH1-OE1 3.48Å; R2069-E2648 IonicContact NH2-OE1 2.88Å; R2069-E2648 PolarHBondContact NH2-OE1 2.99Å
2649T52.8Low74.9Confident103 Ų10345.4 Ų45.463%0.63225%0.248SC*.SBendtrans-105.6142.2175.850.90000108.8D2651T2649-D2651 CarbonylContact O-C 3.54Å; T2649-D2651 VanDerWaalsContact O-C 3.3Å; T2649-D2651 PolarHBondContact O-N 3Å; T2649-D2651 PolarHBondContact OG1-O 2.94Å
2650G51.9Low74.9Confident27 Ų2744.9 Ų44.928%0.27824%0.241SC..SBendtrans-50-17.1-174.300000116.4
2651D57Low74.7Confident121 Ų12143.5 Ų43.565%0.64724%0.236SC*.SBendtrans-99.3109.1166.5-65.7-29.7000111.1T2649T2649-D2651 CarbonylContact O-C 3.54Å; T2649-D2651 VanDerWaalsContact O-C 3.3Å; T2649-D2651 PolarHBondContact O-N 3Å; T2649-D2651 PolarHBondContact OG1-O 2.94Å
2652S66.2Low74.8Confident4 Ų445.7 Ų45.73%0.02825%0.246CC..  trans-65.4139.4172.3670000110.5A2654 M2655 T2656S2652-A2654 PolarHBondContact O-N 3.02Å; S2652-A2654 VanDerWaalsContact O-N 3.14Å; S2652-M2655 WeakPolarHBondContact O-CA 3.33Å; S2652-M2655 WeakPolarHBondContact O-CB 3.45Å; S2652-M2655 PolarHBondContact O-N 3.38Å; S2652-M2655 WeakPolarHBondContact OG-CB 3.44Å; S2652-M2655 WeakPolarHBondContact OG-CG 3.45Å; S2652-M2655 PolarHBondContact OG-N 3.38Å; S2652-T2656 PolarHBondContact O-N 3.13Å; S2652-T2656 PolarHBondContact O-OG1 3.39Å
2653R74.9Confident74.8Confident128 Ų12843.1 Ų43.148%0.48324%0.24SC..Hα-helixtrans-56.7-32.6176.2-173.860171.2177.2-0.1111.8M2655 T2656 L2657R2653-M2655 VanDerWaalsContact C-N 3.35Å; R2653-M2655 PolarHBondContact O-N 3.18Å; R2653-T2656 WeakPolarHBondContact O-CB 3.47Å; R2653-T2656 PolarHBondContact O-N 2.85Å; R2653-L2657 WeakPolarHBondContact O-CG 3.49Å; R2653-L2657 PolarHBondContact O-N 3.27Å
2654A76.9Confident74.8Confident2 Ų241 Ų412%0.01723%0.232CC..Hα-helixtrans-59.1-40.7171.800000112.6L2587 M2590 L2644 S2652 L2657 I2658L2587-A2654 HydrophobicContact CD1-CB 3.5Å; M2590-A2654 HydrophobicContact CE-CB 4.47Å; L2644-A2654 HydrophobicContact CD2-CB 4.02Å; S2652-A2654 PolarHBondContact O-N 3.02Å; S2652-A2654 VanDerWaalsContact O-N 3.14Å; A2654-L2657 PolarHBondContact O-N 3.08Å; A2654-I2658 VanDerWaalsContact O-CG1 3.29Å; A2654-I2658 WeakPolarHBondContact O-CG1 3.3Å; A2654-I2658 PolarHBondContact O-N 3.32Å
2655M78.1Confident74.8Confident40 Ų4043.9 Ų43.920%0.19725%0.248CC..Hα-helixtrans-64.9-38.8173.1-80.3-66.3-71.700112.6Q2583 L2587 S2652 R2653 L2657 I2658 G2659Q2583-M2655 HydrophobicContact CG-CE 4.01Å; Q2583-M2655 HydrophobicContact CG-SD 4.24Å; L2587-M2655 HydrophobicContact CD1-CG 3.89Å; L2587-M2655 HydrophobicContact CD1-SD 4.31Å; L2587-M2655 HydrophobicContact CD2-CG 3.62Å; L2587-M2655 HydrophobicContact CD2-SD 3.76Å; L2587-M2655 HydrophobicContact CG-CG 4.38Å; L2587-M2655 HydrophobicContact CG-SD 4.48Å; S2652-M2655 WeakPolarHBondContact O-CA 3.33Å; S2652-M2655 WeakPolarHBondContact O-CB 3.45Å; S2652-M2655 PolarHBondContact O-N 3.38Å; S2652-M2655 WeakPolarHBondContact OG-CB 3.44Å; S2652-M2655 WeakPolarHBondContact OG-CG 3.45Å; S2652-M2655 PolarHBondContact OG-N 3.38Å; R2653-M2655 VanDerWaalsContact C-N 3.35Å; R2653-M2655 PolarHBondContact O-N 3.18Å; M2655-L2657 VanDerWaalsContact C-N 3.32Å; M2655-L2657 PolarHBondContact O-N 3.31Å; M2655-I2658 PolarHBondContact O-N 2.95Å; M2655-I2658 HydrophobicContact SD-CD1 4.27Å; M2655-G2659 PolarHBondContact O-N 2.6Å
2656T82.2Confident75.2Confident71 Ų7145.8 Ų45.844%0.43626%0.258SS..Hα-helixtrans-63-40.6173.9-34.40000111.5S2652 R2653 G2659 S2660S2652-T2656 PolarHBondContact O-N 3.13Å; S2652-T2656 PolarHBondContact O-OG1 3.39Å; R2653-T2656 WeakPolarHBondContact O-CB 3.47Å; R2653-T2656 PolarHBondContact O-N 2.85Å; T2656-G2659 PolarHBondContact O-N 3.24Å; T2656-S2660 PolarHBondContact O-N 3.02Å
2657L83.5Confident75.6Confident14 Ų1443.1 Ų43.17%0.07324%0.244CC..Hα-helixtrans-65.5-42176.9-70168.9000111.7Y2524 P2567 F2568 L2644 R2653 A2654 M2655 G2659 S2660 A2661Y2524-L2657 HydrophobicContact CD1-CD1 4.41Å; Y2524-L2657 HydrophobicContact CD2-CD1 4.34Å; Y2524-L2657 HydrophobicContact CE1-CD1 4.01Å; Y2524-L2657 HydrophobicContact CE2-CD1 3.95Å; Y2524-L2657 HydrophobicContact CE2-CD2 3.86Å; P2567-L2657 HydrophobicContact CB-CD2 4.05Å; P2567-L2657 HydrophobicContact CG-CB 4.4Å; P2567-L2657 HydrophobicContact CG-CD2 4.17Å; F2568-L2657 HydrophobicContact CE1-CB 3.95Å; F2568-L2657 HydrophobicContact CZ-CB 4.15Å; L2644-L2657 HydrophobicContact CD2-CD1 3.77Å; R2653-L2657 WeakPolarHBondContact O-CG 3.49Å; R2653-L2657 PolarHBondContact O-N 3.27Å; A2654-L2657 PolarHBondContact O-N 3.08Å; M2655-L2657 VanDerWaalsContact C-N 3.32Å; M2655-L2657 PolarHBondContact O-N 3.31Å; L2657-G2659 PolarHBondContact O-N 3.04Å; L2657-S2660 WeakPolarHBondContact CA-OG 3.25Å; L2657-S2660 PolarHBondContact O-N 3.06Å; L2657-S2660 PolarHBondContact O-OG 3.39Å; L2657-A2661 PolarHBondContact O-N 3.3Å
2658I84.4Confident76.3Confident4 Ų442.8 Ų42.82%0.02124%0.242CC..Hα-helixtrans-58.5-46.9173.1-70.3166.7000110.5F2568 L2570 I2582 L2587 M2590 A2654 M2655 S2660 A2661 Q2662F2568-I2658 HydrophobicContact CE2-CG1 4.27Å; F2568-I2658 HydrophobicContact CZ-CG1 3.92Å; L2570-I2658 HydrophobicContact CD2-CG2 3.8Å; I2582-I2658 HydrophobicContact CG2-CD1 4.06Å; I2582-I2658 HydrophobicContact CG2-CG2 3.85Å; L2587-I2658 HydrophobicContact CB-CD1 4.42Å; L2587-I2658 HydrophobicContact CD1-CD1 4.27Å; M2590-I2658 HydrophobicContact SD-CD1 4.35Å; A2654-I2658 VanDerWaalsContact O-CG1 3.29Å; A2654-I2658 WeakPolarHBondContact O-CG1 3.3Å; A2654-I2658 PolarHBondContact O-N 3.32Å; M2655-I2658 PolarHBondContact O-N 2.95Å; M2655-I2658 HydrophobicContact SD-CD1 4.27Å; I2658-S2660 VanDerWaalsContact C-N 3.31Å; I2658-S2660 PolarHBondContact O-N 3.14Å; I2658-A2661 PolarHBondContact O-N 3.4Å; I2658-Q2662 PolarHBondContact O-N 3.26Å; I2658-Q2662 VanDerWaalsContact O-N 3.11Å
2659G82.8Confident77.4Confident23 Ų2344.7 Ų44.724%0.23725%0.245CC..Hα-helixtrans-61.1-38.4175.900000113.1M2655 T2656 L2657 Q2662 A2663M2655-G2659 PolarHBondContact O-N 2.6Å; T2656-G2659 PolarHBondContact O-N 3.24Å; L2657-G2659 PolarHBondContact O-N 3.04Å; G2659-Q2662 PolarHBondContact O-N 3.22Å; G2659-A2663 PolarHBondContact O-N 2.94Å; G2659-A2663 VanDerWaalsContact O-N 3.15Å
2660S84.7Confident78.6Confident36 Ų3640.1 Ų40.125%0.25222%0.216SC..Hα-helixtrans-68.7-31.6175.775.90000113.4T2656 L2657 I2658 N2666T2656-S2660 PolarHBondContact O-N 3.02Å; L2657-S2660 WeakPolarHBondContact CA-OG 3.25Å; L2657-S2660 PolarHBondContact O-N 3.06Å; L2657-S2660 PolarHBondContact O-OG 3.39Å; I2658-S2660 VanDerWaalsContact C-N 3.31Å; I2658-S2660 PolarHBondContact O-N 3.14Å; S2660-N2666 PolarHBondContact O-ND2 3.15Å
2661A84.4Confident79.7Confident0 Ų039.6 Ų39.60%021%0.207CC..Hα-helixtrans-73.5-31176.900000112.4P2567 F2568 L2570 L2657 I2658P2567-A2661 HydrophobicContact CG-CB 4.25Å; F2568-A2661 HydrophobicContact CD2-CB 4.15Å; F2568-A2661 HydrophobicContact CE2-CB 3.91Å; L2570-A2661 HydrophobicContact CB-CB 4.05Å; L2657-A2661 PolarHBondContact O-N 3.3Å; I2658-A2661 PolarHBondContact O-N 3.4Å
2662Q84.5Confident80.7Confident50 Ų5033.9 Ų33.923%0.23418%0.176CC..Hα-helixtrans-83.8-14.5176.3-68.4173.9-27.200113.4L2570 S2575 I2658 G2659 V2664L2570-Q2662 HydrophobicContact CD2-CG 3.94Å; L2570-Q2662 HydrophobicContact CG-CG 4.39Å; S2575-Q2662 PolarHBondContact OG-NE2 2.93Å; I2658-Q2662 PolarHBondContact O-N 3.26Å; I2658-Q2662 VanDerWaalsContact O-N 3.11Å; G2659-Q2662 PolarHBondContact O-N 3.22Å; Q2662-V2664 PolarHBondContact O-N 2.92Å
2663A84.3Confident81Confident33 Ų3334.4 Ų34.427%0.27318%0.18SC..  trans-65.2122-175.700000111.4G2659 D2665 N2666 L2667G2659-A2663 PolarHBondContact O-N 2.94Å; G2659-A2663 VanDerWaalsContact O-N 3.15Å; A2663-D2665 PolarHBondContact O-N 2.79Å; A2663-D2665 VanDerWaalsContact O-N 3.16Å; A2663-N2666 HydrophobicContact CB-CB 4.48Å; A2663-N2666 PolarHBondContact O-N 3.01Å; A2663-L2667 PolarHBondContact O-N 3.11Å; A2663-L2667 VanDerWaalsContact O-N 3.09Å
2664V82.2Confident81Confident40 Ų4031.3 Ų31.324%0.24217%0.168CC..Hα-helixtrans-56.4-34179.1179.40000111.9R2475 Y2478 Q2662 N2666 L2667 C2668R2475-V2664 HydrophobicContact CG-CG1 4.36Å; Y2478-V2664 HydrophobicContact CD1-CG1 3.73Å; Y2478-V2664 HydrophobicContact CE1-CG1 3.78Å; Q2662-V2664 PolarHBondContact O-N 2.92Å; V2664-N2666 PolarHBondContact O-N 3.15Å; V2664-L2667 PolarHBondContact O-N 3.27Å; V2664-C2668 PolarHBondContact O-N 2.95Å; V2664-C2668 VanDerWaalsContact O-N 3.09Å; V2664-C2668 PolarHBondContact O-SG 3.02Å; V2664-C2668 VanDerWaalsContact O-SG 3.39Å
2665D83Confident81.2Confident64 Ų6432.2 Ų32.234%0.34217%0.172SC..Hα-helixtrans-65.7-21.5178.1-70.2-38.7000113.7H2471 R2475 A2663 C2668H2471-D2665 PolarHBondContact CE1-O 3.23Å; R2475-D2665 VanDerWaalsContact CD-OD1 3.26Å; R2475-D2665 WeakPolarHBondContact CD-OD1 3.46Å; R2475-D2665 IonicContact CZ-OD1 3.08Å; R2475-D2665 IonicContact CZ-OD2 2.72Å; R2475-D2665 IonicContact NE-OD1 3.2Å; R2475-D2665 PolarHBondContact NE-OD1 3.21Å; R2475-D2665 IonicContact NH1-OD1 2.86Å; R2475-D2665 PolarHBondContact NH1-OD1 3.46Å; R2475-D2665 IonicContact NH1-OD2 3.35Å; R2475-D2665 PolarHBondContact NH1-OD2 3.22Å; R2475-D2665 IonicContact NH2-OD1 3.57Å; R2475-D2665 IonicContact NH2-OD2 2.81Å; A2663-D2665 PolarHBondContact O-N 2.79Å; A2663-D2665 VanDerWaalsContact O-N 3.16Å; D2665-C2668 PolarHBondContact O-SG 3.41Å
2666N85.2Confident81.4Confident43 Ų4330.4 Ų30.423%0.2316%0.164CC..Hα-helixtrans-95.1-40.7176.2-70.4-21.5000111.4P2565 I2566 S2660 A2663 V2664 C2668 R2669P2565-N2666 WeakPolarHBondContact O-CB 3.38Å; I2566-N2666 HydrophobicContact CG2-CB 3.88Å; S2660-N2666 PolarHBondContact O-ND2 3.15Å; A2663-N2666 HydrophobicContact CB-CB 4.48Å; A2663-N2666 PolarHBondContact O-N 3.01Å; V2664-N2666 PolarHBondContact O-N 3.15Å; N2666-C2668 VanDerWaalsContact C-N 3.33Å; N2666-C2668 PolarHBondContact O-N 3.1Å; N2666-R2669 PolarHBondContact O-N 3.04Å
2667L83.3Confident81.5Confident1 Ų127 Ų271%0.00514%0.143CC..Hα-helixtrans-63.1-35.8179.2-70.7170.1000112.9Y2478 I2566 T2571 P2572 A2663 V2664 R2669 M2670 P2676Y2478-L2667 HydrophobicContact CE2-CB 4.3Å; I2566-L2667 HydrophobicContact CG2-CD2 4.34Å; T2571-L2667 HydrophobicContact CG2-CD2 4.37Å; P2572-L2667 HydrophobicContact CG-CD1 4.15Å; A2663-L2667 PolarHBondContact O-N 3.11Å; A2663-L2667 VanDerWaalsContact O-N 3.09Å; V2664-L2667 PolarHBondContact O-N 3.27Å; L2667-R2669 PolarHBondContact O-N 2.94Å; L2667-M2670 HydrophobicContact CD2-SD 3.93Å; L2667-M2670 WeakPolarHBondContact O-CB 3.43Å; L2667-M2670 PolarHBondContact O-N 3.34Å; L2667-P2676 HydrophobicContact CB-CB 4.49Å; L2667-P2676 WeakPolarHBondContact O-CB 3.46Å
2668C81.9Confident81.3Confident1 Ų126.4 Ų26.41%0.00714%0.139CC..THydrogen-bonded Turntrans-68.3-12.4179.4680000114.4L2474 Y2478 V2664 D2665 N2666L2474-C2668 HydrophobicContact CB-CB 4.3Å; Y2478-C2668 HydrophobicContact CG-CB 4.25Å; V2664-C2668 PolarHBondContact O-N 2.95Å; V2664-C2668 VanDerWaalsContact O-N 3.09Å; V2664-C2668 PolarHBondContact O-SG 3.02Å; V2664-C2668 VanDerWaalsContact O-SG 3.39Å; D2665-C2668 PolarHBondContact O-SG 3.41Å; N2666-C2668 VanDerWaalsContact C-N 3.33Å; N2666-C2668 PolarHBondContact O-N 3.1Å
2669R80.8Confident81.2Confident134 Ų13427.5 Ų27.551%0.50615%0.145SC..THydrogen-bonded Turntrans-91.5-3.2178.2-51.4178.994165.21.4113H2471 P2565 N2666 L2667H2471-R2669 PolarHBondContact CD2-NE 3.27Å; H2471-R2669 WeakPolarHBondContact NE2-CD 3.35Å; H2471-R2669 VanDerWaalsContact NE2-CG 3.3Å; H2471-R2669 WeakPolarHBondContact NE2-CG 3.3Å; H2471-R2669 PolarHBondContact NE2-NE 2.95Å; H2471-R2669 VanDerWaalsContact NE2-NE 3.16Å; P2565-R2669 HydrophobicContact CB-CB 3.93Å; P2565-R2669 HydrophobicContact CG-CB 4.44Å; N2666-R2669 PolarHBondContact O-N 3.04Å; L2667-R2669 PolarHBondContact O-N 2.94Å
2670M79.2Confident81.1Confident7 Ų727.7 Ų27.73%0.03414%0.14CC..SBendtrans-79.8152.2176.4-64.7179.865.100110.5I2566 L2667 W2674 P2676I2566-M2670 HydrophobicContact CD1-CE 3.52Å; I2566-M2670 HydrophobicContact CD1-CG 4.4Å; I2566-M2670 HydrophobicContact CD1-SD 3.34Å; I2566-M2670 WeakPolarHBondContact CD1-SD 3.38Å; I2566-M2670 HydrophobicContact CG1-CE 4.28Å; I2566-M2670 HydrophobicContact CG1-CG 4.23Å; I2566-M2670 HydrophobicContact CG1-SD 3.75Å; I2566-M2670 HydrophobicContact CG2-SD 4.34Å; L2667-M2670 HydrophobicContact CD2-SD 3.93Å; L2667-M2670 WeakPolarHBondContact O-CB 3.43Å; L2667-M2670 PolarHBondContact O-N 3.34Å; M2670-W2674 HydrophobicContact CE-CB 4.38Å; M2670-W2674 HydrophobicContact CE-CE3 3.67Å; M2670-W2674 HydrophobicContact CE-CZ3 4.4Å; M2670-P2676 HydrophobicContact CB-CB 4.1Å; M2670-P2676 HydrophobicContact CB-CG 4.42Å; M2670-P2676 HydrophobicContact SD-CB 4.13Å
2671N74.8Confident80.9Confident15 Ų1527.3 Ų27.38%0.0813%0.134CC..  trans-57.6128.9172.1-173.1-22.3000109.5D2219 F2222 S2673 W2674D2219-N2671 PolarHBondContact OD1-ND2 3.14Å; F2222-N2671 HydrophobicContact CD1-CB 4.21Å; F2222-N2671 HydrophobicContact CD2-CB 4.49Å; F2222-N2671 HydrophobicContact CE1-CB 4.24Å; F2222-N2671 HydrophobicContact CG-CB 4.33Å; F2222-N2671 HydrophobicContact CZ-CB 4.39Å; N2671-S2673 PolarHBondContact ND2-OG 3.45Å; N2671-S2673 PolarHBondContact O-N 2.78Å; N2671-S2673 WeakPolarHBondContact OD1-CB 3.38Å; N2671-S2673 PolarHBondContact OD1-N 3.42Å; N2671-S2673 PolarHBondContact OD1-OG 3.43Å; N2671-W2674 HydrophobicContact CB-CD2 4.26Å; N2671-W2674 HydrophobicContact CB-CG 4.19Å; N2671-W2674 VanDerWaalsContact O-CB 3.31Å; N2671-W2674 WeakPolarHBondContact O-CB 3.45Å; N2671-W2674 PolarHBondContact O-N 3.44Å
2672P76.7Confident80.7Confident1 Ų128.9 Ų28.91%0.00614%0.142CC..G310 helixtrans-61.2-24.6177.423.5-33.7000113.7F2222 Y2456 Y2457 W2674 F2675 W2677F2222-P2672 VanDerWaalsContact CD2-CD 3.46Å; F2222-P2672 HydrophobicContact CD2-CG 4.36Å; Y2456-P2672 HydrophobicContact CD1-CB 3.84Å; Y2456-P2672 HydrophobicContact CD1-CG 3.86Å; Y2456-P2672 HydrophobicContact CE1-CB 4.11Å; Y2456-P2672 HydrophobicContact CE1-CG 3.84Å; Y2456-P2672 HydrophobicContact CG-CB 4.16Å; Y2457-P2672 HydrophobicContact CE2-CG 3.76Å; Y2457-P2672 WeakPolarHBondContact OH-CG 3.32Å; P2672-W2674 PolarHBondContact O-N 2.84Å; P2672-W2674 VanDerWaalsContact O-N 3.15Å; P2672-F2675 PolarHBondContact O-N 3.43Å; P2672-W2677 HydrophobicContact CB-CH2 3.92Å; P2672-W2677 HydrophobicContact CB-CZ3 4.45Å
2673S72.7Confident80.4Confident16 Ų1627.6 Ų27.611%0.11214%0.136CC..G310 helixtrans-60.5-21.5171.569.90000112.5N2671 F2675N2671-S2673 PolarHBondContact ND2-OG 3.45Å; N2671-S2673 PolarHBondContact O-N 2.78Å; N2671-S2673 WeakPolarHBondContact OD1-CB 3.38Å; N2671-S2673 PolarHBondContact OD1-N 3.42Å; N2671-S2673 PolarHBondContact OD1-OG 3.43Å; S2673-F2675 VanDerWaalsContact C-N 3.32Å; S2673-F2675 WeakPolarHBondContact O-CD2 3.35Å; S2673-F2675 WeakPolarHBondContact O-CE2 3.36Å
2674W74.5Confident80.2Confident62 Ų6227.2 Ų27.224%0.23513%0.127CC..G310 helixtrans-86.21.2176.4-59.73000112.6P2530 Y2532 R2569 M2670 N2671 P2672P2530-W2674 HydrophobicContact CB-CH2 4.38Å; P2530-W2674 HydrophobicContact CB-CZ3 4.1Å; P2530-W2674 HydrophobicContact CG-CH2 3.51Å; P2530-W2674 HydrophobicContact CG-CZ2 4.33Å; P2530-W2674 HydrophobicContact CG-CZ3 3.71Å; Y2532-W2674 AromaticContact CE1-CD1 3.41Å; Y2532-W2674 VanDerWaalsContact CE1-CD1 3.41Å; Y2532-W2674 AromaticContact CE1-CE2 3.95Å; Y2532-W2674 HydrophobicContact CE1-CG 4.25Å; Y2532-W2674 AromaticContact CE1-NE1 3.2Å; Y2532-W2674 AromaticContact CZ-CE2 3.8Å; Y2532-W2674 AromaticContact CZ-NE1 3.43Å; Y2532-W2674 WeakPolarHBondContact OH-CZ2 3.46Å; Y2532-W2674 PolarHBondContact OH-NE1 3.4Å; Y2532-W2674 VanDerWaalsContact OH-NE1 3.15Å; R2569-W2674 PolarHBondContact NH1-O 2.88Å; R2569-W2674 PolarHBondContact NH2-O 3.03Å; M2670-W2674 HydrophobicContact CE-CB 4.38Å; M2670-W2674 HydrophobicContact CE-CE3 3.67Å; M2670-W2674 HydrophobicContact CE-CZ3 4.4Å; N2671-W2674 HydrophobicContact CB-CD2 4.26Å; N2671-W2674 HydrophobicContact CB-CG 4.19Å; N2671-W2674 VanDerWaalsContact O-CB 3.31Å; N2671-W2674 WeakPolarHBondContact O-CB 3.45Å; N2671-W2674 PolarHBondContact O-N 3.44Å; P2672-W2674 PolarHBondContact O-N 2.84Å; P2672-W2674 VanDerWaalsContact O-N 3.15Å
2675F82.1Confident80Confident22 Ų2226.3 Ų26.310%0.09612%0.119CC..  trans51.262.2179-56.5-79000114.8L2435 L2449 V2453 L2533 R2569 P2672 S2673 W2677 L2678L2435-F2675 HydrophobicContact CD1-CD2 3.91Å; L2435-F2675 HydrophobicContact CD1-CE2 3.88Å; L2449-F2675 HydrophobicContact CB-CE1 4.39Å; V2453-F2675 HydrophobicContact CG2-CD1 4.4Å; V2453-F2675 HydrophobicContact CG2-CE1 3.76Å; V2453-F2675 HydrophobicContact CG2-CZ 4.29Å; L2533-F2675 HydrophobicContact CD1-CB 4.19Å; R2569-F2675 PolarHBondContact NH2-O 3.16Å; P2672-F2675 PolarHBondContact O-N 3.43Å; S2673-F2675 VanDerWaalsContact C-N 3.32Å; S2673-F2675 WeakPolarHBondContact O-CD2 3.35Å; S2673-F2675 WeakPolarHBondContact O-CE2 3.36Å; F2675-W2677 HydrophobicContact CD1-CZ2 4.19Å; F2675-W2677 AromaticContact CD1-NE1 3.97Å; F2675-W2677 PolarHBondContact O-N 2.85Å; F2675-L2678 HydrophobicContact CB-CB 4.14Å; F2675-L2678 HydrophobicContact CB-CD1 3.82Å; F2675-L2678 HydrophobicContact CB-CG 4Å; F2675-L2678 HydrophobicContact CD1-CD1 4.01Å; F2675-L2678 HydrophobicContact CG-CD1 3.99Å; F2675-L2678 PolarHBondContact O-N 3.01Å; F2675-L2678 VanDerWaalsContact O-N 3.1Å
2676P81.8Confident79.8Confident2 Ų223.4 Ų23.41%0.01310%0.102CC..THydrogen-bonded Turntrans-64.9-12.5-174.725.1-33.2000115Y2478 T2571 L2667 M2670Y2478-P2676 HydrophobicContact CD2-CG 4.27Å; Y2478-P2676 HydrophobicContact CE2-CB 4.07Å; Y2478-P2676 HydrophobicContact CE2-CG 4.15Å; Y2478-P2676 PolarHBondContact OH-O 3.31Å; T2571-P2676 VanDerWaalsContact CG2-O 3.26Å; T2571-P2676 WeakPolarHBondContact CG2-O 3.42Å; L2667-P2676 HydrophobicContact CB-CB 4.49Å; L2667-P2676 WeakPolarHBondContact O-CB 3.46Å; M2670-P2676 HydrophobicContact CB-CB 4.1Å; M2670-P2676 HydrophobicContact CB-CG 4.42Å; M2670-P2676 HydrophobicContact SD-CB 4.13Å
2677W84.3Confident79.4Confident0 Ų021.8 Ų21.80%09%0.091CC..THydrogen-bonded Turntrans-87.1-17.5175.742.982000114.1L2452 V2453 Y2456 Y2478 V2481 V2486 C2573 P2672 F2675L2452-W2677 HydrophobicContact CB-CZ2 3.71Å; V2453-W2677 HydrophobicContact CG2-CZ2 4.49Å; Y2456-W2677 HydrophobicContact CD2-CH2 4.38Å; Y2456-W2677 AromaticContact CD2-CZ3 3.91Å; Y2456-W2677 HydrophobicContact CD2-CZ3 3.91Å; Y2456-W2677 HydrophobicContact CG-CH2 4.39Å; Y2456-W2677 HydrophobicContact CG-CZ3 4.37Å; Y2478-W2677 AromaticContact CD2-CE3 3.94Å; Y2478-W2677 HydrophobicContact CD2-CE3 3.94Å; Y2478-W2677 HydrophobicContact CE2-CB 4.1Å; Y2478-W2677 HydrophobicContact CE2-CE3 4.09Å; V2481-W2677 HydrophobicContact CG1-CD2 3.97Å; V2481-W2677 HydrophobicContact CG1-CE3 4.22Å; V2481-W2677 HydrophobicContact CG1-CG 4.37Å; V2481-W2677 HydrophobicContact CG1-CZ2 4.37Å; V2486-W2677 HydrophobicContact CG2-CB 4.34Å; V2486-W2677 HydrophobicContact CG2-CG 4.09Å; C2573-W2677 PolarHBondContact SG-O 3.06Å; P2672-W2677 HydrophobicContact CB-CH2 3.92Å; P2672-W2677 HydrophobicContact CB-CZ3 4.45Å; F2675-W2677 HydrophobicContact CD1-CZ2 4.19Å; F2675-W2677 AromaticContact CD1-NE1 3.97Å; F2675-W2677 PolarHBondContact O-N 2.85Å
2678L80.4Confident79Confident0 Ų023.6 Ų23.60%010%0.099CC..  trans-94.60-177.1-60.6-175.6000112.9F2438 F2442 L2449 L2452 V2486 L2533 R2569 T2571 C2573 I2574 F2675F2438-L2678 HydrophobicContact CB-CD1 4.19Å; F2438-L2678 HydrophobicContact CD1-CB 4.39Å; F2438-L2678 HydrophobicContact CD1-CD1 4.5Å; F2438-L2678 HydrophobicContact CD1-CD2 3.95Å; F2438-L2678 HydrophobicContact CD2-CB 4.27Å; F2438-L2678 HydrophobicContact CE1-CB 4.19Å; F2438-L2678 HydrophobicContact CE1-CD2 4.1Å; F2438-L2678 HydrophobicContact CE2-CB 4.1Å; F2438-L2678 HydrophobicContact CG-CB 4.41Å; F2438-L2678 HydrophobicContact CG-CD1 4.2Å; F2438-L2678 HydrophobicContact CG-CD2 4.46Å; F2438-L2678 HydrophobicContact CZ-CB 4.05Å; F2438-L2678 VanDerWaalsContact CZ-OXT 3.29Å; F2438-L2678 WeakPolarHBondContact CZ-OXT 3.18Å; F2442-L2678 HydrophobicContact CE2-CD1 4.42Å; F2442-L2678 HydrophobicContact CE2-CD2 3.38Å; F2442-L2678 HydrophobicContact CZ-CD2 3.54Å; L2449-L2678 HydrophobicContact CD2-CD1 3.55Å; L2452-L2678 HydrophobicContact CD1-CD1 4.37Å; L2452-L2678 HydrophobicContact CD1-CD2 4.38Å; V2486-L2678 HydrophobicContact CG1-CD2 4.29Å; L2533-L2678 HydrophobicContact CD1-CB 3.77Å; L2533-L2678 HydrophobicContact CD1-CD1 4.42Å; R2569-L2678 PolarHBondContact NH2-O 3.28Å; T2571-L2678 VanDerWaalsContact CB-C 3.44Å; T2571-L2678 WeakPolarHBondContact CB-O 3.32Å; T2571-L2678 VanDerWaalsContact CG2-O 3.25Å; T2571-L2678 WeakPolarHBondContact CG2-O 3.42Å; T2571-L2678 PolarHBondContact OG1-O 2.84Å; T2571-L2678 PolarHBondContact OG1-OXT 3.23Å; C2573-L2678 WeakPolarHBondContact CB-OXT 3.38Å; I2574-L2678 PolarHBondContact N-OXT 3.06Å; F2675-L2678 HydrophobicContact CB-CB 4.14Å; F2675-L2678 HydrophobicContact CB-CD1 3.82Å; F2675-L2678 HydrophobicContact CB-CG 4Å; F2675-L2678 HydrophobicContact CD1-CD1 4.01Å; F2675-L2678 HydrophobicContact CG-CD1 3.99Å; F2675-L2678 PolarHBondContact O-N 3.01Å; F2675-L2678 VanDerWaalsContact O-N 3.1Å

Retrieved 2,678 of 2,678 residues in 1000.5 ms (Link to these results)

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